1 SER 1 N -0.1438 -0.0401 0.0278 2 SER 1 CA -0.1047 -0.0365 0.0195 3 SER 1 C -0.0728 -0.0133 0.0334 4 SER 1 O -0.0849 0.0068 0.0577 5 SER 1 CB -0.1087 -0.0267 0.0308 6 SER 1 OG -0.0712 -0.0265 0.0194 7 SER 1 HA -0.0945 -0.0577 -0.0053 8 SER 1 HB2 -0.1331 -0.0424 0.0222 9 SER 1 HB3 -0.1154 -0.0042 0.0558 10 SER 1 HG -0.0709 -0.0175 0.0285 11 SER 1 H1 -0.1403 -0.0479 0.0188 12 SER 1 H2 -0.1510 -0.0197 0.0509 13 SER 1 H3 -0.1664 -0.0544 0.0202 14 ASN 2 N -0.0308 -0.0039 0.0232 15 ASN 2 CA -0.0192 0.0051 0.0235 16 ASN 2 C -0.0121 0.0197 0.0350 17 ASN 2 O 0.0013 0.0264 0.0310 18 ASN 2 CB -0.0071 0.0012 0.0077 19 ASN 2 CG 0.0036 0.0087 0.0071 20 ASN 2 ND2 0.0164 0.0087 -0.0046 21 ASN 2 OD1 0.0001 0.0137 0.0164 22 ASN 2 H -0.0271 -0.0071 0.0158 23 ASN 2 HA -0.0250 0.0038 0.0272 24 ASN 2 HB2 -0.0003 0.0033 0.0040 25 ASN 2 HB3 -0.0128 -0.0093 0.0001 26 ASN 2 HD21 0.0195 0.0046 -0.0125 27 ASN 2 HD22 0.0233 0.0136 -0.0048 28 VAL 3 N -0.0190 0.0295 0.0835 29 VAL 3 CA -0.0134 0.0506 0.0978 30 VAL 3 C -0.0180 0.0340 0.0878 31 VAL 3 O -0.0294 0.0066 0.0978 32 VAL 3 CB -0.0174 0.0551 0.1369 33 VAL 3 CG1 -0.0119 0.0760 0.1521 34 VAL 3 CG2 -0.0130 0.0713 0.1474 35 VAL 3 H -0.0285 0.0064 0.0909 36 VAL 3 HA -0.0032 0.0744 0.0874 37 VAL 3 HB -0.0276 0.0315 0.1481 38 VAL 3 HG11 -0.0155 0.0643 0.1472 39 VAL 3 HG12 -0.0017 0.0997 0.1410 40 VAL 3 HG13 -0.0147 0.0793 0.1796 41 VAL 3 HG21 -0.0158 0.0745 0.1751 42 VAL 3 HG22 -0.0172 0.0562 0.1388 43 VAL 3 HG23 -0.0028 0.0948 0.1363 44 PRO 4 N -0.0010 0.0319 0.0399 45 PRO 4 CA -0.0000 0.0236 0.0304 46 PRO 4 C 0.0020 0.0178 0.0343 47 PRO 4 O 0.0011 0.0238 0.0391 48 PRO 4 CB -0.0035 0.0308 0.0188 49 PRO 4 CG -0.0059 0.0408 0.0206 50 PRO 4 CD -0.0047 0.0433 0.0345 51 PRO 4 HA 0.0016 0.0166 0.0287 52 PRO 4 HB2 -0.0046 0.0347 0.0183 53 PRO 4 HB3 -0.0031 0.0253 0.0105 54 PRO 4 HG2 -0.0087 0.0487 0.0154 55 PRO 4 HG3 -0.0053 0.0374 0.0180 56 PRO 4 HD2 -0.0052 0.0469 0.0376 57 PRO 4 HD3 -0.0061 0.0497 0.0367 58 HIS 5 N 0.0044 0.0070 0.0193 59 HIS 5 CA 0.0058 0.0054 0.0171 60 HIS 5 C 0.0040 0.0059 0.0133 61 HIS 5 O 0.0030 0.0062 0.0116 62 HIS 5 CB 0.0090 0.0029 0.0169 63 HIS 5 CG 0.0105 0.0012 0.0142 64 HIS 5 CD2 0.0106 0.0002 0.0107 65 HIS 5 ND1 0.0114 0.0007 0.0149 66 HIS 5 CE1 0.0121 -0.0007 0.0117 67 HIS 5 NE2 0.0117 -0.0010 0.0091 68 HIS 5 H 0.0051 0.0064 0.0192 69 HIS 5 HA 0.0059 0.0057 0.0185 70 HIS 5 HB2 0.0104 0.0025 0.0196 71 HIS 5 HB3 0.0090 0.0027 0.0159 72 HIS 5 HD2 0.0098 0.0004 0.0093 73 HIS 5 HE1 0.0127 -0.0012 0.0112 74 HIS 5 HE2 0.0117 -0.0017 0.0064 75 LYS 6 N 0.0013 0.0039 0.0020 76 LYS 6 CA -0.0009 0.0021 -0.0008 77 LYS 6 C 0.0017 0.0008 -0.0040 78 LYS 6 O 0.0043 0.0007 -0.0050 79 LYS 6 CB -0.0042 0.0012 -0.0016 80 LYS 6 CG -0.0076 0.0021 0.0011 81 LYS 6 CD -0.0109 0.0009 -0.0002 82 LYS 6 CE -0.0148 0.0014 0.0017 83 LYS 6 NZ -0.0180 -0.0001 -0.0002 84 LYS 6 H 0.0033 0.0039 0.0014 85 LYS 6 HA -0.0022 0.0024 0.0000 86 LYS 6 HB2 -0.0031 0.0012 -0.0019 87 LYS 6 HB3 -0.0052 -0.0002 -0.0041 88 LYS 6 HG2 -0.0067 0.0036 0.0035 89 LYS 6 HG3 -0.0086 0.0022 0.0014 90 LYS 6 HD2 -0.0103 0.0012 0.0001 91 LYS 6 HD3 -0.0111 -0.0005 -0.0029 92 LYS 6 HE2 -0.0149 0.0027 0.0043 93 LYS 6 HE3 -0.0151 0.0014 0.0019 94 LYS 6 HZ1 -0.0207 -0.0000 0.0007 95 LYS 6 HZ2 -0.0179 -0.0002 -0.0003 96 LYS 6 HZ3 -0.0177 -0.0014 -0.0027 97 SER 7 N -0.0010 0.0015 0.0008 98 SER 7 CA -0.0002 0.0007 -0.0010 99 SER 7 C -0.0016 0.0005 -0.0027 100 SER 7 O -0.0018 0.0004 -0.0032 101 SER 7 CB 0.0018 0.0000 -0.0012 102 SER 7 OG 0.0032 0.0001 0.0003 103 SER 7 H -0.0019 0.0017 0.0008 104 SER 7 HA 0.0001 0.0006 -0.0010 105 SER 7 HB2 0.0023 -0.0005 -0.0026 106 SER 7 HB3 0.0015 0.0001 -0.0011 107 SER 7 HG 0.0030 0.0002 0.0005 108 SER 8 N -0.0052 0.0009 -0.0065 109 SER 8 CA -0.0061 0.0006 -0.0076 110 SER 8 C -0.0048 0.0013 -0.0089 111 SER 8 O -0.0034 0.0019 -0.0095 112 SER 8 CB -0.0078 0.0000 -0.0088 113 SER 8 OG -0.0087 -0.0005 -0.0077 114 SER 8 H -0.0056 0.0008 -0.0068 115 SER 8 HA -0.0067 0.0003 -0.0065 116 SER 8 HB2 -0.0073 0.0003 -0.0102 117 SER 8 HB3 -0.0088 -0.0004 -0.0092 118 SER 8 HG -0.0097 -0.0010 -0.0069 119 LEU 9 N -0.0059 0.0017 -0.0069 120 LEU 9 CA -0.0045 0.0022 -0.0079 121 LEU 9 C -0.0054 0.0024 -0.0097 122 LEU 9 O -0.0064 0.0022 -0.0097 123 LEU 9 CB -0.0039 0.0021 -0.0067 124 LEU 9 CG -0.0028 0.0019 -0.0049 125 LEU 9 CD1 -0.0027 0.0016 -0.0036 126 LEU 9 CD2 -0.0009 0.0024 -0.0053 127 LEU 9 H -0.0069 0.0013 -0.0065 128 LEU 9 HA -0.0034 0.0025 -0.0082 129 LEU 9 HB2 -0.0030 0.0025 -0.0075 130 LEU 9 HB3 -0.0050 0.0017 -0.0064 131 LEU 9 HG -0.0035 0.0016 -0.0043 132 LEU 9 HD21 -0.0002 0.0027 -0.0059 133 LEU 9 HD22 -0.0002 0.0023 -0.0040 134 LEU 9 HD23 -0.0010 0.0026 -0.0061 135 LEU 9 HD11 -0.0021 0.0015 -0.0023 136 LEU 9 HD12 -0.0020 0.0019 -0.0041 137 LEU 9 HD13 -0.0041 0.0012 -0.0033 138 PRO 10 N -0.0056 0.0032 -0.0138 139 PRO 10 CA -0.0076 0.0034 -0.0164 140 PRO 10 C -0.0069 0.0041 -0.0176 141 PRO 10 O -0.0088 0.0036 -0.0183 142 PRO 10 CB -0.0074 0.0043 -0.0186 143 PRO 10 CG -0.0066 0.0039 -0.0168 144 PRO 10 CD -0.0045 0.0038 -0.0143 145 PRO 10 HA -0.0098 0.0024 -0.0157 146 PRO 10 HB2 -0.0095 0.0040 -0.0200 147 PRO 10 HB3 -0.0058 0.0054 -0.0201 148 PRO 10 HG2 -0.0055 0.0048 -0.0180 149 PRO 10 HG3 -0.0085 0.0029 -0.0159 150 PRO 10 HD2 -0.0023 0.0049 -0.0150 151 PRO 10 HD3 -0.0045 0.0031 -0.0124 152 GLU 11 N -0.0059 0.0042 -0.0173 153 GLU 11 CA -0.0056 0.0044 -0.0179 154 GLU 11 C -0.0064 0.0038 -0.0153 155 GLU 11 O -0.0057 0.0041 -0.0151 156 GLU 11 CB -0.0025 0.0058 -0.0187 157 GLU 11 CG -0.0017 0.0063 -0.0203 158 GLU 11 CD -0.0021 0.0064 -0.0237 159 GLU 11 OE1 -0.0008 0.0071 -0.0252 160 GLU 11 OE2 -0.0039 0.0057 -0.0249 161 GLU 11 H -0.0042 0.0049 -0.0167 162 GLU 11 HA -0.0068 0.0040 -0.0199 163 GLU 11 HB2 -0.0018 0.0062 -0.0200 164 GLU 11 HB3 -0.0013 0.0062 -0.0166 165 GLU 11 HG2 0.0004 0.0072 -0.0198 166 GLU 11 HG3 -0.0029 0.0057 -0.0195 167 GLY 12 N -0.0059 0.0036 -0.0116 168 GLY 12 CA -0.0054 0.0032 -0.0096 169 GLY 12 C -0.0035 0.0040 -0.0090 170 GLY 12 O -0.0028 0.0046 -0.0096 171 GLY 12 H -0.0066 0.0033 -0.0119 172 GLY 12 HA2 -0.0056 0.0030 -0.0094 173 GLY 12 HA3 -0.0062 0.0024 -0.0088 174 ILE 13 N -0.0025 0.0038 -0.0072 175 ILE 13 CA -0.0009 0.0042 -0.0070 176 ILE 13 C -0.0002 0.0046 -0.0072 177 ILE 13 O -0.0008 0.0044 -0.0071 178 ILE 13 CB -0.0004 0.0037 -0.0056 179 ILE 13 CG1 -0.0009 0.0030 -0.0044 180 ILE 13 CG2 -0.0009 0.0035 -0.0054 181 ILE 13 CD1 -0.0002 0.0025 -0.0030 182 ILE 13 H -0.0029 0.0036 -0.0071 183 ILE 13 HA -0.0006 0.0047 -0.0077 184 ILE 13 HB 0.0008 0.0040 -0.0054 185 ILE 13 HG12 -0.0006 0.0032 -0.0046 186 ILE 13 HG13 -0.0020 0.0026 -0.0045 187 ILE 13 HG21 -0.0006 0.0040 -0.0063 188 ILE 13 HG22 -0.0004 0.0032 -0.0045 189 ILE 13 HG23 -0.0020 0.0031 -0.0055 190 ILE 13 HD11 -0.0004 0.0020 -0.0023 191 ILE 13 HD12 -0.0006 0.0022 -0.0027 192 ILE 13 HD13 0.0010 0.0029 -0.0030 193 ARG 14 N 0.0004 0.0052 -0.0073 194 ARG 14 CA 0.0018 0.0061 -0.0072 195 ARG 14 C 0.0040 0.0066 -0.0058 196 ARG 14 O 0.0045 0.0066 -0.0054 197 ARG 14 CB 0.0018 0.0076 -0.0094 198 ARG 14 CG -0.0002 0.0073 -0.0108 199 ARG 14 CD -0.0016 0.0075 -0.0124 200 ARG 14 NE -0.0005 0.0091 -0.0137 201 ARG 14 CZ 0.0002 0.0106 -0.0150 202 ARG 14 NH1 -0.0001 0.0107 -0.0154 203 ARG 14 NH2 0.0012 0.0119 -0.0160 204 ARG 14 H 0.0008 0.0056 -0.0075 205 ARG 14 HA 0.0013 0.0053 -0.0066 206 ARG 14 HB2 0.0030 0.0084 -0.0093 207 ARG 14 HB3 0.0023 0.0084 -0.0100 208 ARG 14 HG2 0.0001 0.0081 -0.0116 209 ARG 14 HG3 -0.0011 0.0060 -0.0099 210 ARG 14 HD2 -0.0021 0.0066 -0.0116 211 ARG 14 HD3 -0.0029 0.0072 -0.0133 212 ARG 14 HE -0.0003 0.0092 -0.0135 213 ARG 14 HH11 0.0003 0.0117 -0.0166 214 ARG 14 HH12 -0.0011 0.0096 -0.0149 215 ARG 14 HH21 0.0014 0.0119 -0.0157 216 ARG 14 HH22 0.0017 0.0130 -0.0170 217 PRO 15 N 0.0035 0.0062 -0.0059 218 PRO 15 CA 0.0050 0.0066 -0.0054 219 PRO 15 C 0.0056 0.0074 -0.0061 220 PRO 15 O 0.0051 0.0080 -0.0073 221 PRO 15 CB 0.0057 0.0069 -0.0053 222 PRO 15 CG 0.0045 0.0063 -0.0053 223 PRO 15 CD 0.0033 0.0062 -0.0061 224 PRO 15 HA 0.0051 0.0060 -0.0044 225 PRO 15 HB2 0.0066 0.0068 -0.0045 226 PRO 15 HB3 0.0059 0.0077 -0.0062 227 PRO 15 HG2 0.0047 0.0066 -0.0056 228 PRO 15 HG3 0.0045 0.0055 -0.0043 229 PRO 15 HD2 0.0032 0.0068 -0.0071 230 PRO 15 HD3 0.0024 0.0055 -0.0058 231 GLY 16 N 0.0051 0.0051 -0.0056 232 GLY 16 CA 0.0057 0.0052 -0.0058 233 GLY 16 C 0.0045 0.0046 -0.0049 234 GLY 16 O 0.0053 0.0044 -0.0046 235 GLY 16 H 0.0055 0.0044 -0.0046 236 GLY 16 HA2 0.0071 0.0049 -0.0054 237 GLY 16 HA3 0.0058 0.0061 -0.0069 238 THR 17 N 0.0044 0.0037 -0.0059 239 THR 17 CA 0.0037 0.0034 -0.0054 240 THR 17 C 0.0041 0.0027 -0.0046 241 THR 17 O 0.0044 0.0024 -0.0042 242 THR 17 CB 0.0026 0.0034 -0.0053 243 THR 17 CG2 0.0018 0.0032 -0.0049 244 THR 17 OG1 0.0022 0.0040 -0.0060 245 THR 17 H 0.0042 0.0039 -0.0061 246 THR 17 HA 0.0036 0.0036 -0.0057 247 THR 17 HB 0.0027 0.0031 -0.0049 248 THR 17 HG1 0.0027 0.0041 -0.0062 249 THR 17 HG21 0.0011 0.0032 -0.0049 250 THR 17 HG22 0.0020 0.0027 -0.0043 251 THR 17 HG23 0.0018 0.0035 -0.0053 252 VAL 18 N 0.0033 0.0003 -0.0025 253 VAL 18 CA 0.0035 -0.0003 -0.0019 254 VAL 18 C 0.0030 -0.0004 -0.0011 255 VAL 18 O 0.0028 -0.0004 -0.0008 256 VAL 18 CB 0.0042 -0.0008 -0.0019 257 VAL 18 CG1 0.0045 -0.0014 -0.0013 258 VAL 18 CG2 0.0047 -0.0007 -0.0026 259 VAL 18 H 0.0031 0.0004 -0.0025 260 VAL 18 HA 0.0037 -0.0004 -0.0019 261 VAL 18 HB 0.0040 -0.0007 -0.0018 262 VAL 18 HG11 0.0041 -0.0015 -0.0008 263 VAL 18 HG12 0.0046 -0.0015 -0.0014 264 VAL 18 HG13 0.0049 -0.0017 -0.0014 265 VAL 18 HG21 0.0052 -0.0011 -0.0026 266 VAL 18 HG22 0.0046 -0.0003 -0.0031 267 VAL 18 HG23 0.0048 -0.0007 -0.0028 268 LEU 19 N 0.0035 -0.0002 -0.0014 269 LEU 19 CA 0.0031 -0.0003 -0.0004 270 LEU 19 C 0.0037 -0.0010 0.0002 271 LEU 19 O 0.0038 -0.0011 0.0003 272 LEU 19 CB 0.0025 0.0002 -0.0002 273 LEU 19 CG 0.0017 0.0009 -0.0005 274 LEU 19 CD1 0.0018 0.0012 -0.0015 275 LEU 19 CD2 0.0012 0.0012 -0.0003 276 LEU 19 H 0.0036 -0.0002 -0.0017 277 LEU 19 HA 0.0029 -0.0002 -0.0002 278 LEU 19 HB2 0.0027 0.0001 -0.0006 279 LEU 19 HB3 0.0023 -0.0000 0.0005 280 LEU 19 HG 0.0015 0.0009 -0.0001 281 LEU 19 HD11 0.0021 0.0010 -0.0016 282 LEU 19 HD12 0.0021 0.0011 -0.0020 283 LEU 19 HD13 0.0012 0.0017 -0.0016 284 LEU 19 HD21 0.0006 0.0017 -0.0005 285 LEU 19 HD22 0.0010 0.0010 0.0004 286 LEU 19 HD23 0.0014 0.0012 -0.0007 287 ARG 20 N 0.0037 -0.0028 0.0018 288 ARG 20 CA 0.0040 -0.0036 0.0027 289 ARG 20 C 0.0039 -0.0024 0.0040 290 ARG 20 O 0.0039 -0.0018 0.0051 291 ARG 20 CB 0.0046 -0.0051 0.0034 292 ARG 20 CG 0.0050 -0.0060 0.0042 293 ARG 20 CD 0.0056 -0.0076 0.0050 294 ARG 20 NE 0.0058 -0.0073 0.0066 295 ARG 20 CZ 0.0062 -0.0085 0.0075 296 ARG 20 NH1 0.0066 -0.0099 0.0069 297 ARG 20 NH2 0.0064 -0.0082 0.0091 298 ARG 20 H 0.0038 -0.0028 0.0023 299 ARG 20 HA 0.0040 -0.0039 0.0018 300 ARG 20 HB2 0.0047 -0.0048 0.0044 301 ARG 20 HB3 0.0047 -0.0059 0.0024 302 ARG 20 HG2 0.0050 -0.0064 0.0032 303 ARG 20 HG3 0.0049 -0.0053 0.0051 304 ARG 20 HD2 0.0058 -0.0083 0.0052 305 ARG 20 HD3 0.0057 -0.0082 0.0041 306 ARG 20 HE 0.0055 -0.0062 0.0072 307 ARG 20 HH11 0.0065 -0.0101 0.0057 308 ARG 20 HH12 0.0070 -0.0108 0.0076 309 ARG 20 HH21 0.0068 -0.0091 0.0098 310 ARG 20 HH22 0.0062 -0.0071 0.0096 311 ILE 21 N 0.0038 -0.0037 0.0045 312 ILE 21 CA 0.0039 -0.0030 0.0053 313 ILE 21 C 0.0041 -0.0037 0.0056 314 ILE 21 O 0.0040 -0.0042 0.0048 315 ILE 21 CB 0.0036 -0.0018 0.0048 316 ILE 21 CG1 0.0034 -0.0010 0.0046 317 ILE 21 CG2 0.0037 -0.0011 0.0056 318 ILE 21 CD1 0.0031 -0.0003 0.0035 319 ILE 21 H 0.0037 -0.0041 0.0038 320 ILE 21 HA 0.0041 -0.0028 0.0061 321 ILE 21 HB 0.0034 -0.0020 0.0040 322 ILE 21 HG12 0.0035 -0.0005 0.0053 323 ILE 21 HG13 0.0035 -0.0015 0.0044 324 ILE 21 HG21 0.0038 -0.0016 0.0057 325 ILE 21 HG22 0.0039 -0.0010 0.0064 326 ILE 21 HG23 0.0035 -0.0003 0.0053 327 ILE 21 HD11 0.0030 0.0003 0.0034 328 ILE 21 HD12 0.0030 -0.0008 0.0028 329 ILE 21 HD13 0.0030 0.0003 0.0037 330 ARG 22 N 0.0036 -0.0042 0.0080 331 ARG 22 CA 0.0040 -0.0051 0.0087 332 ARG 22 C 0.0040 -0.0039 0.0098 333 ARG 22 O 0.0041 -0.0028 0.0107 334 ARG 22 CB 0.0045 -0.0066 0.0097 335 ARG 22 CG 0.0045 -0.0080 0.0087 336 ARG 22 CD 0.0050 -0.0094 0.0099 337 ARG 22 NE 0.0051 -0.0110 0.0090 338 ARG 22 CZ 0.0055 -0.0125 0.0096 339 ARG 22 NH1 0.0059 -0.0128 0.0112 340 ARG 22 NH2 0.0054 -0.0138 0.0085 341 ARG 22 H 0.0038 -0.0036 0.0088 342 ARG 22 HA 0.0038 -0.0056 0.0076 343 ARG 22 HB2 0.0047 -0.0071 0.0104 344 ARG 22 HB3 0.0046 -0.0061 0.0106 345 ARG 22 HG2 0.0044 -0.0086 0.0078 346 ARG 22 HG3 0.0042 -0.0076 0.0080 347 ARG 22 HD2 0.0051 -0.0089 0.0106 348 ARG 22 HD3 0.0053 -0.0096 0.0108 349 ARG 22 HE 0.0048 -0.0110 0.0077 350 ARG 22 HH11 0.0059 -0.0118 0.0119 351 ARG 22 HH12 0.0062 -0.0140 0.0116 352 ARG 22 HH21 0.0051 -0.0135 0.0073 353 ARG 22 HH22 0.0057 -0.0150 0.0088 354 GLY 23 N 0.0027 -0.0046 0.0103 355 GLY 23 CA 0.0032 -0.0038 0.0102 356 GLY 23 C 0.0025 -0.0044 0.0088 357 GLY 23 O 0.0014 -0.0057 0.0081 358 GLY 23 H 0.0018 -0.0055 0.0095 359 GLY 23 HA2 0.0041 -0.0025 0.0098 360 GLY 23 HA3 0.0034 -0.0040 0.0116 361 LEU 24 N 0.0021 -0.0041 0.0083 362 LEU 24 CA 0.0011 -0.0040 0.0057 363 LEU 24 C 0.0027 -0.0014 0.0035 364 LEU 24 O 0.0049 0.0004 0.0045 365 LEU 24 CB 0.0006 -0.0051 0.0070 366 LEU 24 CG -0.0003 -0.0048 0.0045 367 LEU 24 CD1 -0.0023 -0.0071 0.0051 368 LEU 24 CD2 0.0018 -0.0027 0.0045 369 LEU 24 H 0.0040 -0.0027 0.0094 370 LEU 24 HA -0.0007 -0.0051 0.0043 371 LEU 24 HB2 -0.0008 -0.0070 0.0081 372 LEU 24 HB3 0.0022 -0.0043 0.0088 373 LEU 24 HG -0.0010 -0.0045 0.0021 374 LEU 24 HD11 -0.0028 -0.0069 0.0033 375 LEU 24 HD12 -0.0016 -0.0075 0.0075 376 LEU 24 HD13 -0.0038 -0.0087 0.0050 377 LEU 24 HD21 0.0012 -0.0024 0.0026 378 LEU 24 HD22 0.0024 -0.0031 0.0067 379 LEU 24 HD23 0.0034 -0.0010 0.0041 380 VAL 25 N 0.0002 -0.0008 0.0005 381 VAL 25 CA 0.0015 0.0013 -0.0018 382 VAL 25 C 0.0022 0.0024 -0.0029 383 VAL 25 O 0.0004 0.0016 -0.0038 384 VAL 25 CB -0.0003 0.0014 -0.0043 385 VAL 25 CG1 0.0011 0.0036 -0.0066 386 VAL 25 CG2 -0.0012 0.0002 -0.0032 387 VAL 25 H -0.0018 -0.0019 0.0000 388 VAL 25 HA 0.0033 0.0021 -0.0010 389 VAL 25 HB -0.0021 0.0007 -0.0052 390 VAL 25 HG21 -0.0023 0.0004 -0.0050 391 VAL 25 HG22 -0.0025 -0.0014 -0.0018 392 VAL 25 HG23 0.0005 0.0008 -0.0021 393 VAL 25 HG11 0.0017 0.0044 -0.0075 394 VAL 25 HG12 0.0029 0.0043 -0.0057 395 VAL 25 HG13 -0.0002 0.0035 -0.0083 396 PRO 26 N 0.0042 0.0041 -0.0030 397 PRO 26 CA 0.0053 0.0057 -0.0047 398 PRO 26 C 0.0030 0.0066 -0.0082 399 PRO 26 O 0.0019 0.0072 -0.0100 400 PRO 26 CB 0.0089 0.0079 -0.0047 401 PRO 26 CG 0.0103 0.0067 -0.0017 402 PRO 26 CD 0.0071 0.0049 -0.0016 403 PRO 26 HA 0.0052 0.0048 -0.0031 404 PRO 26 HB2 0.0090 0.0093 -0.0069 405 PRO 26 HB3 0.0104 0.0086 -0.0045 406 PRO 26 HG2 0.0110 0.0058 0.0005 407 PRO 26 HG3 0.0123 0.0081 -0.0019 408 PRO 26 HD2 0.0073 0.0034 0.0009 409 PRO 26 HD3 0.0070 0.0058 -0.0032 410 PRO 27 N 0.0035 0.0076 -0.0112 411 PRO 27 CA 0.0011 0.0086 -0.0153 412 PRO 27 C 0.0028 0.0115 -0.0187 413 PRO 27 O 0.0004 0.0121 -0.0219 414 PRO 27 CB 0.0009 0.0088 -0.0157 415 PRO 27 CG 0.0014 0.0066 -0.0114 416 PRO 27 CD 0.0044 0.0068 -0.0090 417 PRO 27 HA -0.0020 0.0071 -0.0155 418 PRO 27 HB2 0.0035 0.0108 -0.0168 419 PRO 27 HB3 -0.0019 0.0083 -0.0176 420 PRO 27 HG2 -0.0015 0.0045 -0.0105 421 PRO 27 HG3 0.0027 0.0070 -0.0109 422 PRO 27 HD2 0.0039 0.0048 -0.0059 423 PRO 27 HD3 0.0075 0.0084 -0.0088 424 ASN 28 N 0.0057 0.0135 -0.0184 425 ASN 28 CA 0.0079 0.0162 -0.0212 426 ASN 28 C 0.0091 0.0160 -0.0201 427 ASN 28 O 0.0117 0.0182 -0.0218 428 ASN 28 CB 0.0120 0.0182 -0.0215 429 ASN 28 CG 0.0153 0.0170 -0.0176 430 ASN 28 ND2 0.0187 0.0182 -0.0172 431 ASN 28 OD1 0.0145 0.0147 -0.0146 432 ASN 28 H 0.0077 0.0127 -0.0159 433 ASN 28 HA 0.0057 0.0173 -0.0242 434 ASN 28 HB2 0.0110 0.0183 -0.0224 435 ASN 28 HB3 0.0135 0.0203 -0.0239 436 ASN 28 HD21 0.0206 0.0172 -0.0144 437 ASN 28 HD22 0.0189 0.0197 -0.0194 438 ALA 29 N 0.0060 0.0114 -0.0157 439 ALA 29 CA 0.0074 0.0111 -0.0142 440 ALA 29 C 0.0072 0.0125 -0.0167 441 ALA 29 O 0.0044 0.0125 -0.0187 442 ALA 29 CB 0.0054 0.0086 -0.0114 443 ALA 29 H 0.0043 0.0100 -0.0146 444 ALA 29 HA 0.0103 0.0116 -0.0131 445 ALA 29 HB1 0.0064 0.0083 -0.0102 446 ALA 29 HB2 0.0025 0.0080 -0.0125 447 ALA 29 HB3 0.0057 0.0076 -0.0096 448 SER 30 N 0.0088 0.0116 -0.0173 449 SER 30 CA 0.0091 0.0121 -0.0182 450 SER 30 C 0.0080 0.0106 -0.0155 451 SER 30 O 0.0054 0.0100 -0.0161 452 SER 30 CB 0.0129 0.0136 -0.0188 453 SER 30 OG 0.0135 0.0139 -0.0190 454 SER 30 H 0.0106 0.0115 -0.0156 455 SER 30 HA 0.0075 0.0125 -0.0206 456 SER 30 HB2 0.0135 0.0147 -0.0211 457 SER 30 HB3 0.0146 0.0133 -0.0167 458 SER 30 HG 0.0123 0.0143 -0.0212 459 ARG 31 N 0.0081 0.0080 -0.0126 460 ARG 31 CA 0.0079 0.0073 -0.0101 461 ARG 31 C 0.0091 0.0067 -0.0069 462 ARG 31 O 0.0113 0.0073 -0.0066 463 ARG 31 CB 0.0097 0.0081 -0.0110 464 ARG 31 CG 0.0132 0.0093 -0.0114 465 ARG 31 CD 0.0146 0.0102 -0.0130 466 ARG 31 NE 0.0132 0.0107 -0.0162 467 ARG 31 CZ 0.0127 0.0110 -0.0178 468 ARG 31 NH1 0.0139 0.0111 -0.0167 469 ARG 31 NH2 0.0111 0.0113 -0.0204 470 ARG 31 H 0.0096 0.0084 -0.0122 471 ARG 31 HA 0.0055 0.0065 -0.0100 472 ARG 31 HB2 0.0094 0.0075 -0.0093 473 ARG 31 HB3 0.0086 0.0084 -0.0132 474 ARG 31 HG2 0.0135 0.0098 -0.0127 475 ARG 31 HG3 0.0144 0.0089 -0.0091 476 ARG 31 HD2 0.0171 0.0110 -0.0130 477 ARG 31 HD3 0.0143 0.0097 -0.0116 478 ARG 31 HE 0.0124 0.0108 -0.0173 479 ARG 31 HH11 0.0135 0.0113 -0.0180 480 ARG 31 HH12 0.0152 0.0109 -0.0147 481 ARG 31 HH21 0.0099 0.0111 -0.0211 482 ARG 31 HH22 0.0101 0.0112 -0.0212 483 PHE 32 N 0.0072 0.0052 -0.0028 484 PHE 32 CA 0.0078 0.0048 -0.0010 485 PHE 32 C 0.0078 0.0046 -0.0005 486 PHE 32 O 0.0072 0.0046 -0.0014 487 PHE 32 CB 0.0070 0.0039 -0.0000 488 PHE 32 CG 0.0054 0.0028 0.0001 489 PHE 32 CD1 0.0041 0.0025 -0.0011 490 PHE 32 CD2 0.0051 0.0021 0.0015 491 PHE 32 CE1 0.0026 0.0015 -0.0009 492 PHE 32 CE2 0.0037 0.0010 0.0016 493 PHE 32 CZ 0.0024 0.0008 0.0005 494 PHE 32 H 0.0063 0.0049 -0.0033 495 PHE 32 HA 0.0090 0.0055 -0.0007 496 PHE 32 HB2 0.0077 0.0038 0.0012 497 PHE 32 HB3 0.0070 0.0041 -0.0006 498 PHE 32 HD1 0.0043 0.0031 -0.0021 499 PHE 32 HD2 0.0061 0.0023 0.0024 500 PHE 32 HE1 0.0017 0.0013 -0.0018 501 PHE 32 HE2 0.0035 0.0005 0.0027 502 PHE 32 HZ 0.0013 -0.0000 0.0006 503 HIS 33 N 0.0056 0.0033 0.0015 504 HIS 33 CA 0.0053 0.0040 -0.0003 505 HIS 33 C 0.0055 0.0032 0.0002 506 HIS 33 O 0.0057 0.0029 0.0022 507 HIS 33 CB 0.0046 0.0065 -0.0007 508 HIS 33 CG 0.0045 0.0080 0.0012 509 HIS 33 CD2 0.0044 0.0085 0.0014 510 HIS 33 ND1 0.0044 0.0092 0.0030 511 HIS 33 CE1 0.0042 0.0104 0.0042 512 HIS 33 NE2 0.0042 0.0100 0.0032 513 HIS 33 H 0.0057 0.0035 0.0032 514 HIS 33 HA 0.0053 0.0031 -0.0019 515 HIS 33 HB2 0.0044 0.0069 -0.0023 516 HIS 33 HB3 0.0045 0.0071 -0.0008 517 HIS 33 HD2 0.0044 0.0079 0.0002 518 HIS 33 HE1 0.0041 0.0116 0.0056 519 HIS 33 HE2 0.0041 0.0108 0.0037 520 VAL 34 N 0.0028 0.0024 0.0020 521 VAL 34 CA 0.0029 0.0022 0.0020 522 VAL 34 C 0.0026 0.0025 0.0016 523 VAL 34 O 0.0023 0.0026 0.0010 524 VAL 34 CB 0.0029 0.0014 0.0018 525 VAL 34 CG1 0.0030 0.0011 0.0018 526 VAL 34 CG2 0.0032 0.0010 0.0022 527 VAL 34 H 0.0026 0.0025 0.0016 528 VAL 34 HA 0.0031 0.0022 0.0025 529 VAL 34 HB 0.0028 0.0013 0.0013 530 VAL 34 HG11 0.0031 0.0006 0.0017 531 VAL 34 HG12 0.0032 0.0012 0.0023 532 VAL 34 HG13 0.0028 0.0014 0.0015 533 VAL 34 HG21 0.0033 0.0005 0.0020 534 VAL 34 HG22 0.0034 0.0011 0.0027 535 VAL 34 HG23 0.0032 0.0012 0.0022 536 ASN 35 N -0.0008 0.0017 0.0008 537 ASN 35 CA -0.0014 0.0020 0.0002 538 ASN 35 C -0.0013 0.0015 -0.0004 539 ASN 35 O -0.0008 0.0013 -0.0001 540 ASN 35 CB -0.0019 0.0026 0.0006 541 ASN 35 CG -0.0022 0.0031 0.0012 542 ASN 35 ND2 -0.0022 0.0036 0.0019 543 ASN 35 OD1 -0.0023 0.0031 0.0010 544 ASN 35 H -0.0005 0.0017 0.0012 545 ASN 35 HA -0.0017 0.0020 -0.0002 546 ASN 35 HB2 -0.0024 0.0028 0.0001 547 ASN 35 HB3 -0.0017 0.0026 0.0010 548 ASN 35 HD21 -0.0020 0.0036 0.0021 549 ASN 35 HD22 -0.0023 0.0039 0.0023 550 LEU 36 N -0.0020 0.0001 0.0009 551 LEU 36 CA -0.0021 0.0003 -0.0001 552 LEU 36 C -0.0030 -0.0001 -0.0002 553 LEU 36 O -0.0032 -0.0002 0.0001 554 LEU 36 CB -0.0013 0.0006 -0.0003 555 LEU 36 CG -0.0003 0.0009 -0.0001 556 LEU 36 CD1 0.0003 0.0013 -0.0005 557 LEU 36 CD2 -0.0002 0.0011 -0.0006 558 LEU 36 H -0.0020 -0.0001 0.0014 559 LEU 36 HA -0.0021 0.0004 -0.0005 560 LEU 36 HB2 -0.0014 0.0007 -0.0011 561 LEU 36 HB3 -0.0014 0.0005 0.0001 562 LEU 36 HG -0.0002 0.0008 0.0006 563 LEU 36 HD11 0.0003 0.0012 -0.0002 564 LEU 36 HD12 0.0002 0.0014 -0.0013 565 LEU 36 HD13 0.0010 0.0015 -0.0004 566 LEU 36 HD21 0.0005 0.0013 -0.0005 567 LEU 36 HD22 -0.0006 0.0009 -0.0004 568 LEU 36 HD23 -0.0004 0.0012 -0.0014 569 LEU 37 N -0.0067 -0.0004 -0.0012 570 LEU 37 CA -0.0073 -0.0012 -0.0013 571 LEU 37 C -0.0076 -0.0012 -0.0019 572 LEU 37 O -0.0074 -0.0007 -0.0026 573 LEU 37 CB -0.0078 -0.0016 -0.0016 574 LEU 37 CG -0.0076 -0.0017 -0.0009 575 LEU 37 CD1 -0.0081 -0.0020 -0.0014 576 LEU 37 CD2 -0.0078 -0.0022 0.0000 577 LEU 37 H -0.0066 -0.0001 -0.0017 578 LEU 37 HA -0.0073 -0.0015 -0.0006 579 LEU 37 HB2 -0.0083 -0.0022 -0.0017 580 LEU 37 HB3 -0.0078 -0.0013 -0.0023 581 LEU 37 HG -0.0071 -0.0011 -0.0008 582 LEU 37 HD11 -0.0080 -0.0016 -0.0021 583 LEU 37 HD12 -0.0086 -0.0026 -0.0015 584 LEU 37 HD13 -0.0080 -0.0021 -0.0009 585 LEU 37 HD21 -0.0077 -0.0023 0.0004 586 LEU 37 HD22 -0.0074 -0.0020 0.0004 587 LEU 37 HD23 -0.0083 -0.0028 -0.0001 588 CYS 38 N -0.0073 -0.0045 -0.0016 589 CYS 38 CA -0.0075 -0.0042 -0.0021 590 CYS 38 C -0.0086 -0.0045 -0.0031 591 CYS 38 O -0.0088 -0.0043 -0.0036 592 CYS 38 CB -0.0072 -0.0048 -0.0012 593 CYS 38 SG -0.0060 -0.0044 -0.0001 594 CYS 38 H -0.0073 -0.0052 -0.0009 595 CYS 38 HA -0.0070 -0.0033 -0.0023 596 CYS 38 HB2 -0.0077 -0.0057 -0.0009 597 CYS 38 HB3 -0.0074 -0.0046 -0.0016 598 CYS 38 HG -0.0061 -0.0050 0.0004 599 GLY 39 N -0.0099 -0.0041 -0.0014 600 GLY 39 CA -0.0105 -0.0045 -0.0020 601 GLY 39 C -0.0109 -0.0049 -0.0024 602 GLY 39 O -0.0106 -0.0050 -0.0020 603 GLY 39 H -0.0098 -0.0042 -0.0012 604 GLY 39 HA2 -0.0107 -0.0040 -0.0024 605 GLY 39 HA3 -0.0106 -0.0051 -0.0019 606 GLU 40 N -0.0135 -0.0041 -0.0034 607 GLU 40 CA -0.0141 -0.0046 -0.0037 608 GLU 40 C -0.0145 -0.0063 -0.0031 609 GLU 40 O -0.0150 -0.0069 -0.0032 610 GLU 40 CB -0.0153 -0.0041 -0.0052 611 GLU 40 CG -0.0150 -0.0023 -0.0059 612 GLU 40 CD -0.0145 -0.0018 -0.0058 613 GLU 40 OE1 -0.0147 -0.0028 -0.0054 614 GLU 40 OE2 -0.0140 -0.0004 -0.0061 615 GLU 40 H -0.0140 -0.0040 -0.0039 616 GLU 40 HA -0.0135 -0.0040 -0.0034 617 GLU 40 HB2 -0.0157 -0.0043 -0.0054 618 GLU 40 HB3 -0.0160 -0.0047 -0.0054 619 GLU 40 HG2 -0.0158 -0.0021 -0.0069 620 GLU 40 HG3 -0.0142 -0.0017 -0.0055 621 GLU 41 N -0.0052 -0.0090 -0.0060 622 GLU 41 CA -0.0028 -0.0124 -0.0082 623 GLU 41 C -0.0032 -0.0124 -0.0103 624 GLU 41 O -0.0042 -0.0107 -0.0084 625 GLU 41 CB 0.0002 -0.0152 -0.0050 626 GLU 41 CG 0.0008 -0.0152 -0.0023 627 GLU 41 CD -0.0010 -0.0122 0.0016 628 GLU 41 OE1 -0.0017 -0.0110 0.0033 629 GLU 41 OE2 -0.0024 -0.0104 0.0018 630 GLU 41 H -0.0046 -0.0088 -0.0027 631 GLU 41 HA -0.0027 -0.0131 -0.0109 632 GLU 41 HB2 0.0020 -0.0178 -0.0070 633 GLU 41 HB3 0.0005 -0.0150 -0.0028 634 GLU 41 HG2 0.0003 -0.0152 -0.0046 635 GLU 41 HG3 0.0031 -0.0177 -0.0008 636 GLN 42 N 0.0042 -0.0203 -0.0173 637 GLN 42 CA 0.0017 -0.0117 -0.0310 638 GLN 42 C 0.0006 -0.0186 -0.0132 639 GLN 42 O 0.0163 -0.0352 -0.0109 640 GLN 42 CB 0.0194 -0.0179 -0.0563 641 GLN 42 CG 0.0188 -0.0076 -0.0779 642 GLN 42 CD 0.0335 -0.0102 -0.1048 643 GLN 42 NE2 0.0508 -0.0265 -0.1063 644 GLN 42 OE1 0.0291 0.0033 -0.1250 645 GLN 42 H 0.0178 -0.0312 -0.0231 646 GLN 42 HA -0.0127 0.0048 -0.0363 647 GLN 42 HB2 0.0183 -0.0134 -0.0639 648 GLN 42 HB3 0.0341 -0.0344 -0.0518 649 GLN 42 HG2 0.0032 0.0086 -0.0798 650 GLN 42 HG3 0.0226 -0.0140 -0.0720 651 GLN 42 HE21 0.0593 -0.0268 -0.1246 652 GLN 42 HE22 0.0548 -0.0377 -0.0902 653 GLY 43 N -0.0050 -0.0128 -0.0087 654 GLY 43 CA -0.0055 -0.0138 -0.0047 655 GLY 43 C -0.0060 -0.0136 -0.0018 656 GLY 43 O -0.0065 -0.0140 0.0017 657 GLY 43 H -0.0052 -0.0101 -0.0093 658 GLY 43 HA2 -0.0059 -0.0119 -0.0037 659 GLY 43 HA3 -0.0051 -0.0168 -0.0045 660 SER 44 N -0.0073 -0.0123 -0.0024 661 SER 44 CA -0.0071 -0.0108 -0.0003 662 SER 44 C -0.0071 -0.0097 0.0010 663 SER 44 O -0.0077 -0.0096 0.0002 664 SER 44 CB -0.0085 -0.0092 -0.0006 665 SER 44 OG -0.0101 -0.0078 -0.0014 666 SER 44 H -0.0083 -0.0120 -0.0037 667 SER 44 HA -0.0059 -0.0116 0.0006 668 SER 44 HB2 -0.0082 -0.0084 0.0009 669 SER 44 HB3 -0.0087 -0.0099 -0.0018 670 SER 44 HG -0.0109 -0.0070 -0.0017 671 ASP 45 N -0.0068 -0.0104 -0.0014 672 ASP 45 CA -0.0058 -0.0096 0.0002 673 ASP 45 C -0.0052 -0.0077 -0.0001 674 ASP 45 O -0.0054 -0.0067 -0.0014 675 ASP 45 CB -0.0056 -0.0096 0.0007 676 ASP 45 CG -0.0062 -0.0115 0.0011 677 ASP 45 OD1 -0.0063 -0.0127 0.0019 678 ASP 45 OD2 -0.0063 -0.0116 0.0010 679 ASP 45 H -0.0071 -0.0109 -0.0019 680 ASP 45 HA -0.0057 -0.0103 0.0012 681 ASP 45 HB2 -0.0058 -0.0089 -0.0003 682 ASP 45 HB3 -0.0049 -0.0090 0.0019 683 ALA 46 N -0.0036 -0.0061 0.0011 684 ALA 46 CA -0.0030 -0.0046 0.0011 685 ALA 46 C -0.0021 -0.0037 0.0022 686 ALA 46 O -0.0017 -0.0040 0.0036 687 ALA 46 CB -0.0028 -0.0048 0.0017 688 ALA 46 H -0.0035 -0.0068 0.0022 689 ALA 46 HA -0.0031 -0.0040 -0.0000 690 ALA 46 HB1 -0.0024 -0.0037 0.0016 691 ALA 46 HB2 -0.0026 -0.0053 0.0029 692 ALA 46 HB3 -0.0034 -0.0054 0.0009 693 ALA 47 N -0.0022 -0.0032 0.0016 694 ALA 47 CA -0.0011 -0.0024 0.0019 695 ALA 47 C -0.0002 -0.0022 0.0026 696 ALA 47 O 0.0007 -0.0021 0.0034 697 ALA 47 CB -0.0011 -0.0012 0.0008 698 ALA 47 H -0.0027 -0.0029 0.0008 699 ALA 47 HA -0.0009 -0.0027 0.0023 700 ALA 47 HB1 -0.0003 -0.0006 0.0010 701 ALA 47 HB2 -0.0013 -0.0009 0.0004 702 ALA 47 HB3 -0.0018 -0.0014 0.0003 703 LEU 48 N 0.0004 -0.0011 0.0016 704 LEU 48 CA 0.0008 -0.0010 0.0020 705 LEU 48 C 0.0005 -0.0014 0.0021 706 LEU 48 O 0.0001 -0.0015 0.0017 707 LEU 48 CB 0.0012 -0.0004 0.0018 708 LEU 48 CG 0.0016 -0.0003 0.0021 709 LEU 48 CD1 0.0020 -0.0004 0.0028 710 LEU 48 CD2 0.0020 0.0003 0.0018 711 LEU 48 H 0.0001 -0.0012 0.0013 712 LEU 48 HA 0.0011 -0.0012 0.0025 713 LEU 48 HB2 0.0015 -0.0002 0.0018 714 LEU 48 HB3 0.0010 -0.0003 0.0013 715 LEU 48 HG 0.0014 -0.0006 0.0021 716 LEU 48 HD11 0.0018 -0.0009 0.0031 717 LEU 48 HD12 0.0023 -0.0001 0.0028 718 LEU 48 HD13 0.0023 -0.0004 0.0030 719 LEU 48 HD21 0.0017 0.0004 0.0013 720 LEU 48 HD22 0.0022 0.0006 0.0017 721 LEU 48 HD23 0.0022 0.0004 0.0020 722 HIS 49 N 0.0024 -0.0014 0.0025 723 HIS 49 CA 0.0027 -0.0009 0.0017 724 HIS 49 C 0.0020 0.0000 0.0017 725 HIS 49 O 0.0016 0.0002 0.0021 726 HIS 49 CB 0.0030 -0.0011 0.0016 727 HIS 49 CG 0.0031 -0.0005 0.0009 728 HIS 49 CD2 0.0028 -0.0000 0.0009 729 HIS 49 ND1 0.0037 -0.0003 0.0002 730 HIS 49 CE1 0.0036 0.0003 -0.0003 731 HIS 49 NE2 0.0031 0.0005 0.0001 732 HIS 49 H 0.0020 -0.0013 0.0029 733 HIS 49 HA 0.0031 -0.0009 0.0013 734 HIS 49 HB2 0.0035 -0.0017 0.0015 735 HIS 49 HB3 0.0026 -0.0012 0.0021 736 HIS 49 HD2 0.0023 0.0000 0.0014 737 HIS 49 HE1 0.0040 0.0005 -0.0009 738 HIS 49 HD1 0.0040 -0.0006 -0.0000 739 PHE 50 N 0.0034 0.0010 0.0008 740 PHE 50 CA 0.0029 0.0010 0.0005 741 PHE 50 C 0.0031 0.0014 0.0002 742 PHE 50 O 0.0035 0.0014 0.0003 743 PHE 50 CB 0.0026 0.0007 0.0009 744 PHE 50 CG 0.0021 0.0007 0.0007 745 PHE 50 CD1 0.0016 0.0007 0.0005 746 PHE 50 CD2 0.0022 0.0007 0.0007 747 PHE 50 CE1 0.0011 0.0006 0.0003 748 PHE 50 CE2 0.0017 0.0006 0.0006 749 PHE 50 CZ 0.0012 0.0006 0.0004 750 PHE 50 H 0.0037 0.0009 0.0010 751 PHE 50 HA 0.0026 0.0011 0.0003 752 PHE 50 HB2 0.0024 0.0004 0.0011 753 PHE 50 HB3 0.0029 0.0006 0.0011 754 PHE 50 HD1 0.0015 0.0007 0.0004 755 PHE 50 HD2 0.0026 0.0007 0.0009 756 PHE 50 HE1 0.0007 0.0006 0.0001 757 PHE 50 HE2 0.0018 0.0006 0.0006 758 PHE 50 HZ 0.0008 0.0006 0.0002 759 ASN 51 N 0.0044 0.0014 -0.0004 760 ASN 51 CA 0.0050 0.0024 -0.0020 761 ASN 51 C 0.0034 0.0030 -0.0032 762 ASN 51 O 0.0030 0.0035 -0.0041 763 ASN 51 CB 0.0065 0.0027 -0.0026 764 ASN 51 CG 0.0073 0.0037 -0.0042 765 ASN 51 ND2 0.0075 0.0040 -0.0048 766 ASN 51 OD1 0.0077 0.0043 -0.0051 767 ASN 51 H 0.0035 0.0014 -0.0004 768 ASN 51 HA 0.0057 0.0023 -0.0019 769 ASN 51 HB2 0.0077 0.0023 -0.0017 770 ASN 51 HB3 0.0060 0.0027 -0.0026 771 ASN 51 HD21 0.0079 0.0047 -0.0059 772 ASN 51 HD22 0.0071 0.0036 -0.0041 773 PRO 52 N 0.0036 0.0033 -0.0040 774 PRO 52 CA 0.0023 0.0037 -0.0054 775 PRO 52 C 0.0034 0.0047 -0.0070 776 PRO 52 O 0.0048 0.0050 -0.0068 777 PRO 52 CB 0.0013 0.0030 -0.0047 778 PRO 52 CG 0.0014 0.0021 -0.0027 779 PRO 52 CD 0.0034 0.0025 -0.0024 780 PRO 52 HA 0.0013 0.0036 -0.0059 781 PRO 52 HB2 -0.0002 0.0029 -0.0053 782 PRO 52 HB3 0.0020 0.0033 -0.0048 783 PRO 52 HG2 0.0003 0.0017 -0.0025 784 PRO 52 HG3 0.0013 0.0017 -0.0019 785 PRO 52 HD2 0.0035 0.0020 -0.0012 786 PRO 52 HD3 0.0045 0.0027 -0.0021 787 ARG 53 N 0.0027 0.0061 -0.0106 788 ARG 53 CA 0.0038 0.0075 -0.0129 789 ARG 53 C 0.0017 0.0090 -0.0145 790 ARG 53 O -0.0004 0.0094 -0.0146 791 ARG 53 CB 0.0045 0.0074 -0.0131 792 ARG 53 CG 0.0066 0.0059 -0.0114 793 ARG 53 CD 0.0066 0.0059 -0.0114 794 ARG 53 NE 0.0083 0.0045 -0.0098 795 ARG 53 CZ 0.0083 0.0041 -0.0092 796 ARG 53 NH1 0.0069 0.0050 -0.0101 797 ARG 53 NH2 0.0097 0.0028 -0.0076 798 ARG 53 H 0.0009 0.0061 -0.0100 799 ARG 53 HA 0.0055 0.0075 -0.0134 800 ARG 53 HB2 0.0027 0.0075 -0.0127 801 ARG 53 HB3 0.0054 0.0084 -0.0148 802 ARG 53 HG2 0.0060 0.0049 -0.0097 803 ARG 53 HG3 0.0086 0.0059 -0.0120 804 ARG 53 HD2 0.0071 0.0070 -0.0131 805 ARG 53 HD3 0.0045 0.0060 -0.0109 806 ARG 53 HE 0.0093 0.0037 -0.0089 807 ARG 53 HH11 0.0068 0.0045 -0.0094 808 ARG 53 HH12 0.0055 0.0060 -0.0112 809 ARG 53 HH21 0.0093 0.0024 -0.0069 810 ARG 53 HH22 0.0106 0.0020 -0.0067 811 LEU 54 N 0.0015 0.0083 -0.0157 812 LEU 54 CA -0.0007 0.0083 -0.0173 813 LEU 54 C -0.0006 0.0100 -0.0204 814 LEU 54 O -0.0025 0.0102 -0.0221 815 LEU 54 CB -0.0003 0.0079 -0.0162 816 LEU 54 CG -0.0008 0.0061 -0.0133 817 LEU 54 CD1 -0.0039 0.0047 -0.0128 818 LEU 54 CD2 0.0015 0.0057 -0.0109 819 LEU 54 H 0.0034 0.0085 -0.0147 820 LEU 54 HA -0.0029 0.0073 -0.0170 821 LEU 54 HB2 0.0019 0.0088 -0.0165 822 LEU 54 HB3 -0.0019 0.0081 -0.0176 823 LEU 54 HG -0.0007 0.0061 -0.0131 824 LEU 54 HD11 -0.0043 0.0035 -0.0108 825 LEU 54 HD12 -0.0056 0.0049 -0.0144 826 LEU 54 HD13 -0.0041 0.0046 -0.0127 827 LEU 54 HD21 0.0012 0.0046 -0.0090 828 LEU 54 HD22 0.0012 0.0055 -0.0108 829 LEU 54 HD23 0.0037 0.0068 -0.0113 830 ASP 55 N 0.0013 0.0118 -0.0225 831 ASP 55 CA 0.0020 0.0134 -0.0257 832 ASP 55 C 0.0011 0.0136 -0.0264 833 ASP 55 O -0.0013 0.0140 -0.0282 834 ASP 55 CB 0.0057 0.0143 -0.0261 835 ASP 55 CG 0.0083 0.0136 -0.0236 836 ASP 55 OD1 0.0074 0.0124 -0.0214 837 ASP 55 OD2 0.0113 0.0143 -0.0239 838 ASP 55 H 0.0031 0.0114 -0.0208 839 ASP 55 HA 0.0005 0.0139 -0.0273 840 ASP 55 HB2 0.0060 0.0144 -0.0263 841 ASP 55 HB3 0.0063 0.0155 -0.0284 842 THR 56 N 0.0028 0.0131 -0.0241 843 THR 56 CA 0.0018 0.0129 -0.0238 844 THR 56 C -0.0016 0.0119 -0.0220 845 THR 56 O -0.0029 0.0118 -0.0218 846 THR 56 CB 0.0047 0.0125 -0.0227 847 THR 56 CG2 0.0076 0.0137 -0.0250 848 THR 56 OG1 0.0062 0.0112 -0.0198 849 THR 56 H 0.0047 0.0125 -0.0226 850 THR 56 HA 0.0011 0.0140 -0.0262 851 THR 56 HB 0.0037 0.0123 -0.0224 852 THR 56 HG1 0.0056 0.0104 -0.0183 853 THR 56 HG21 0.0096 0.0134 -0.0241 854 THR 56 HG22 0.0067 0.0147 -0.0272 855 THR 56 HG23 0.0088 0.0139 -0.0253 856 SER 57 N -0.0008 0.0109 -0.0208 857 SER 57 CA -0.0044 0.0109 -0.0199 858 SER 57 C -0.0050 0.0100 -0.0168 859 SER 57 O -0.0072 0.0101 -0.0165 860 SER 57 CB -0.0064 0.0119 -0.0227 861 SER 57 OG -0.0060 0.0126 -0.0252 862 SER 57 H 0.0000 0.0110 -0.0214 863 SER 57 HA -0.0052 0.0108 -0.0193 864 SER 57 HB2 -0.0057 0.0120 -0.0234 865 SER 57 HB3 -0.0090 0.0118 -0.0219 866 SER 57 HG -0.0037 0.0127 -0.0260 867 GLU 58 N -0.0032 0.0086 -0.0132 868 GLU 58 CA -0.0034 0.0073 -0.0110 869 GLU 58 C -0.0023 0.0060 -0.0092 870 GLU 58 O -0.0008 0.0061 -0.0097 871 GLU 58 CB -0.0020 0.0072 -0.0113 872 GLU 58 CG 0.0009 0.0072 -0.0119 873 GLU 58 CD 0.0024 0.0072 -0.0122 874 GLU 58 OE1 0.0022 0.0063 -0.0106 875 GLU 58 OE2 0.0044 0.0078 -0.0135 876 GLU 58 H -0.0016 0.0086 -0.0135 877 GLU 58 HA -0.0055 0.0072 -0.0106 878 GLU 58 HB2 -0.0029 0.0081 -0.0126 879 GLU 58 HB3 -0.0023 0.0063 -0.0097 880 GLU 58 HG2 0.0012 0.0081 -0.0134 881 GLU 58 HG3 0.0017 0.0063 -0.0106 882 VAL 59 N -0.0011 0.0044 -0.0065 883 VAL 59 CA -0.0000 0.0035 -0.0051 884 VAL 59 C 0.0006 0.0029 -0.0042 885 VAL 59 O -0.0006 0.0027 -0.0037 886 VAL 59 CB -0.0011 0.0029 -0.0039 887 VAL 59 CG1 0.0001 0.0020 -0.0026 888 VAL 59 CG2 -0.0020 0.0034 -0.0048 889 VAL 59 H -0.0020 0.0044 -0.0063 890 VAL 59 HA 0.0012 0.0037 -0.0055 891 VAL 59 HB -0.0022 0.0026 -0.0034 892 VAL 59 HG11 -0.0006 0.0016 -0.0019 893 VAL 59 HG12 0.0014 0.0022 -0.0031 894 VAL 59 HG13 0.0005 0.0015 -0.0018 895 VAL 59 HG21 -0.0027 0.0029 -0.0039 896 VAL 59 HG22 -0.0009 0.0037 -0.0054 897 VAL 59 HG23 -0.0030 0.0040 -0.0056 898 VAL 60 N 0.0014 0.0027 -0.0026 899 VAL 60 CA 0.0022 0.0015 -0.0014 900 VAL 60 C 0.0024 0.0005 -0.0001 901 VAL 60 O 0.0029 0.0004 -0.0005 902 VAL 60 CB 0.0037 0.0010 -0.0024 903 VAL 60 CG1 0.0050 -0.0004 -0.0015 904 VAL 60 CG2 0.0031 0.0016 -0.0028 905 VAL 60 H 0.0021 0.0027 -0.0036 906 VAL 60 HA 0.0013 0.0016 -0.0007 907 VAL 60 HB 0.0043 0.0013 -0.0036 908 VAL 60 HG11 0.0060 -0.0007 -0.0022 909 VAL 60 HG12 0.0055 -0.0009 -0.0013 910 VAL 60 HG13 0.0045 -0.0008 -0.0002 911 VAL 60 HG21 0.0041 0.0014 -0.0036 912 VAL 60 HG22 0.0026 0.0013 -0.0017 913 VAL 60 HG23 0.0022 0.0026 -0.0036 914 PHE 61 N 0.0026 -0.0004 0.0016 915 PHE 61 CA 0.0029 -0.0009 0.0021 916 PHE 61 C 0.0033 -0.0016 0.0023 917 PHE 61 O 0.0031 -0.0016 0.0026 918 PHE 61 CB 0.0024 -0.0008 0.0028 919 PHE 61 CG 0.0019 -0.0002 0.0026 920 PHE 61 CD1 0.0015 0.0004 0.0024 921 PHE 61 CD2 0.0019 -0.0003 0.0027 922 PHE 61 CE1 0.0011 0.0010 0.0023 923 PHE 61 CE2 0.0015 0.0003 0.0026 924 PHE 61 CZ 0.0011 0.0009 0.0024 925 PHE 61 H 0.0025 -0.0003 0.0019 926 PHE 61 HA 0.0032 -0.0010 0.0017 927 PHE 61 HB2 0.0026 -0.0013 0.0031 928 PHE 61 HB3 0.0021 -0.0008 0.0032 929 PHE 61 HD1 0.0014 0.0005 0.0024 930 PHE 61 HD2 0.0023 -0.0008 0.0029 931 PHE 61 HE1 0.0007 0.0015 0.0022 932 PHE 61 HE2 0.0016 0.0002 0.0026 933 PHE 61 HZ 0.0008 0.0013 0.0023 934 ASN 62 N 0.0032 -0.0028 0.0044 935 ASN 62 CA 0.0036 -0.0044 0.0051 936 ASN 62 C 0.0034 -0.0047 0.0045 937 ASN 62 O 0.0030 -0.0036 0.0034 938 ASN 62 CB 0.0037 -0.0062 0.0047 939 ASN 62 CG 0.0043 -0.0077 0.0061 940 ASN 62 ND2 0.0044 -0.0092 0.0059 941 ASN 62 OD1 0.0046 -0.0075 0.0073 942 ASN 62 H 0.0028 -0.0022 0.0032 943 ASN 62 HA 0.0040 -0.0042 0.0066 944 ASN 62 HB2 0.0036 -0.0058 0.0047 945 ASN 62 HB3 0.0034 -0.0067 0.0033 946 ASN 62 HD21 0.0048 -0.0101 0.0068 947 ASN 62 HD22 0.0042 -0.0093 0.0048 948 SER 63 N 0.0018 -0.0058 0.0063 949 SER 63 CA 0.0012 -0.0061 0.0054 950 SER 63 C 0.0007 -0.0078 0.0054 951 SER 63 O 0.0009 -0.0087 0.0063 952 SER 63 CB 0.0016 -0.0055 0.0059 953 SER 63 OG 0.0021 -0.0062 0.0073 954 SER 63 H 0.0020 -0.0065 0.0072 955 SER 63 HA 0.0008 -0.0055 0.0043 956 SER 63 HB2 0.0012 -0.0057 0.0052 957 SER 63 HB3 0.0020 -0.0043 0.0059 958 SER 63 HG 0.0018 -0.0071 0.0071 959 LYS 64 N -0.0012 -0.0077 0.0054 960 LYS 64 CA -0.0018 -0.0096 0.0052 961 LYS 64 C -0.0021 -0.0099 0.0046 962 LYS 64 O -0.0024 -0.0090 0.0034 963 LYS 64 CB -0.0025 -0.0101 0.0039 964 LYS 64 CG -0.0030 -0.0121 0.0037 965 LYS 64 CD -0.0039 -0.0126 0.0021 966 LYS 64 CE -0.0044 -0.0118 0.0006 967 LYS 64 NZ -0.0052 -0.0125 -0.0009 968 LYS 64 H -0.0014 -0.0068 0.0046 969 LYS 64 HA -0.0014 -0.0103 0.0063 970 LYS 64 HB2 -0.0029 -0.0094 0.0027 971 LYS 64 HB3 -0.0022 -0.0097 0.0042 972 LYS 64 HG2 -0.0032 -0.0127 0.0036 973 LYS 64 HG3 -0.0027 -0.0128 0.0047 974 LYS 64 HD2 -0.0042 -0.0140 0.0021 975 LYS 64 HD3 -0.0037 -0.0121 0.0021 976 LYS 64 HE2 -0.0044 -0.0121 0.0008 977 LYS 64 HE3 -0.0041 -0.0103 0.0005 978 LYS 64 HZ1 -0.0055 -0.0117 -0.0019 979 LYS 64 HZ2 -0.0056 -0.0137 -0.0010 980 LYS 64 HZ3 -0.0053 -0.0124 -0.0011 981 GLU 65 N -0.0028 -0.0122 0.0070 982 GLU 65 CA -0.0033 -0.0132 0.0062 983 GLU 65 C -0.0040 -0.0161 0.0067 984 GLU 65 O -0.0038 -0.0173 0.0083 985 GLU 65 CB -0.0025 -0.0118 0.0074 986 GLU 65 CG -0.0031 -0.0119 0.0058 987 GLU 65 CD -0.0023 -0.0101 0.0067 988 GLU 65 OE1 -0.0016 -0.0102 0.0090 989 GLU 65 OE2 -0.0024 -0.0085 0.0050 990 GLU 65 H -0.0026 -0.0132 0.0085 991 GLU 65 HA -0.0039 -0.0127 0.0042 992 GLU 65 HB2 -0.0019 -0.0098 0.0075 993 GLU 65 HB3 -0.0021 -0.0127 0.0094 994 GLU 65 HG2 -0.0035 -0.0113 0.0039 995 GLU 65 HG3 -0.0036 -0.0139 0.0059 996 GLN 66 N -0.0043 -0.0198 0.0068 997 GLN 66 CA -0.0044 -0.0270 0.0055 998 GLN 66 C -0.0036 -0.0255 0.0023 999 GLN 66 O -0.0043 -0.0291 0.0045 1000 GLN 66 CB -0.0063 -0.0321 0.0126 1001 GLN 66 CG -0.0069 -0.0354 0.0143 1002 GLN 66 CD -0.0059 -0.0417 0.0087 1003 GLN 66 NE2 -0.0058 -0.0473 0.0069 1004 GLN 66 OE1 -0.0051 -0.0413 0.0053 1005 GLN 66 H -0.0034 -0.0187 0.0031 1006 GLN 66 HA -0.0036 -0.0302 0.0010 1007 GLN 66 HB2 -0.0064 -0.0368 0.0120 1008 GLN 66 HB3 -0.0072 -0.0287 0.0175 1009 GLN 66 HG2 -0.0067 -0.0308 0.0145 1010 GLN 66 HG3 -0.0083 -0.0381 0.0199 1011 GLN 66 HE21 -0.0064 -0.0476 0.0093 1012 GLN 66 HE22 -0.0051 -0.0510 0.0029 1013 GLY 67 N -0.0039 -0.0199 0.0029 1014 GLY 67 CA -0.0040 -0.0198 0.0021 1015 GLY 67 C -0.0037 -0.0192 0.0044 1016 GLY 67 O -0.0037 -0.0187 0.0038 1017 GLY 67 H -0.0039 -0.0184 0.0022 1018 GLY 67 HA2 -0.0041 -0.0182 0.0005 1019 GLY 67 HA3 -0.0043 -0.0217 0.0012 1020 SER 68 N -0.0043 -0.0201 0.0059 1021 SER 68 CA -0.0042 -0.0193 0.0087 1022 SER 68 C -0.0037 -0.0160 0.0094 1023 SER 68 O -0.0034 -0.0146 0.0090 1024 SER 68 CB -0.0046 -0.0212 0.0113 1025 SER 68 OG -0.0045 -0.0203 0.0123 1026 SER 68 H -0.0044 -0.0207 0.0061 1027 SER 68 HA -0.0043 -0.0199 0.0083 1028 SER 68 HB2 -0.0046 -0.0210 0.0131 1029 SER 68 HB3 -0.0050 -0.0235 0.0106 1030 SER 68 HG -0.0045 -0.0202 0.0106 1031 TRP 69 N -0.0028 -0.0150 0.0078 1032 TRP 69 CA -0.0013 -0.0131 0.0085 1033 TRP 69 C -0.0004 -0.0125 0.0102 1034 TRP 69 O -0.0005 -0.0137 0.0120 1035 TRP 69 CB -0.0010 -0.0130 0.0093 1036 TRP 69 CG -0.0015 -0.0129 0.0075 1037 TRP 69 CD1 -0.0026 -0.0143 0.0072 1038 TRP 69 CD2 -0.0010 -0.0111 0.0058 1039 TRP 69 CE2 -0.0019 -0.0116 0.0044 1040 TRP 69 CE3 0.0000 -0.0091 0.0052 1041 TRP 69 NE1 -0.0028 -0.0136 0.0053 1042 TRP 69 CZ2 -0.0016 -0.0102 0.0026 1043 TRP 69 CZ3 0.0002 -0.0077 0.0034 1044 TRP 69 CH2 -0.0006 -0.0083 0.0020 1045 TRP 69 H -0.0033 -0.0163 0.0085 1046 TRP 69 HA -0.0011 -0.0119 0.0070 1047 TRP 69 HB2 0.0001 -0.0117 0.0102 1048 TRP 69 HB3 -0.0014 -0.0144 0.0106 1049 TRP 69 HD1 -0.0032 -0.0158 0.0082 1050 TRP 69 HE3 0.0006 -0.0086 0.0062 1051 TRP 69 HZ2 -0.0022 -0.0107 0.0016 1052 TRP 69 HZ3 0.0010 -0.0062 0.0030 1053 TRP 69 HH2 -0.0004 -0.0072 0.0006 1054 TRP 69 HE1 -0.0035 -0.0144 0.0048 1055 GLY 70 N 0.0021 -0.0127 0.0084 1056 GLY 70 CA 0.0034 -0.0120 0.0094 1057 GLY 70 C 0.0040 -0.0124 0.0099 1058 GLY 70 O 0.0036 -0.0133 0.0096 1059 GLY 70 H 0.0014 -0.0120 0.0079 1060 GLY 70 HA2 0.0033 -0.0108 0.0094 1061 GLY 70 HA3 0.0040 -0.0125 0.0099 1062 ARG 71 N 0.0064 -0.0125 0.0104 1063 ARG 71 CA 0.0063 -0.0115 0.0112 1064 ARG 71 C 0.0051 -0.0097 0.0096 1065 ARG 71 O 0.0045 -0.0078 0.0098 1066 ARG 71 CB 0.0069 -0.0105 0.0137 1067 ARG 71 CG 0.0078 -0.0111 0.0153 1068 ARG 71 CD 0.0073 -0.0104 0.0148 1069 ARG 71 NE 0.0062 -0.0081 0.0141 1070 ARG 71 CZ 0.0059 -0.0061 0.0152 1071 ARG 71 NH1 0.0065 -0.0059 0.0173 1072 ARG 71 NH2 0.0048 -0.0044 0.0142 1073 ARG 71 H 0.0066 -0.0121 0.0113 1074 ARG 71 HA 0.0068 -0.0129 0.0111 1075 ARG 71 HB2 0.0074 -0.0111 0.0143 1076 ARG 71 HB3 0.0063 -0.0086 0.0138 1077 ARG 71 HG2 0.0085 -0.0129 0.0154 1078 ARG 71 HG3 0.0081 -0.0103 0.0170 1079 ARG 71 HD2 0.0079 -0.0106 0.0163 1080 ARG 71 HD3 0.0072 -0.0116 0.0134 1081 ARG 71 HE 0.0056 -0.0080 0.0126 1082 ARG 71 HH11 0.0062 -0.0043 0.0180 1083 ARG 71 HH12 0.0074 -0.0072 0.0181 1084 ARG 71 HH21 0.0043 -0.0046 0.0125 1085 ARG 71 HH22 0.0045 -0.0029 0.0147 1086 GLU 72 N 0.0054 -0.0097 0.0081 1087 GLU 72 CA 0.0047 -0.0073 0.0063 1088 GLU 72 C 0.0027 -0.0051 0.0079 1089 GLU 72 O 0.0020 -0.0050 0.0099 1090 GLU 72 CB 0.0053 -0.0069 0.0040 1091 GLU 72 CG 0.0045 -0.0043 0.0020 1092 GLU 72 CD 0.0052 -0.0040 -0.0004 1093 GLU 72 OE1 0.0060 -0.0038 -0.0029 1094 GLU 72 OE2 0.0046 -0.0032 0.0000 1095 GLU 72 H 0.0062 -0.0108 0.0077 1096 GLU 72 HA 0.0051 -0.0074 0.0053 1097 GLU 72 HB2 0.0050 -0.0070 0.0049 1098 GLU 72 HB3 0.0066 -0.0084 0.0028 1099 GLU 72 HG2 0.0032 -0.0028 0.0031 1100 GLU 72 HG3 0.0047 -0.0042 0.0012 1101 GLU 73 N 0.0034 -0.0031 0.0054 1102 GLU 73 CA 0.0025 -0.0015 0.0061 1103 GLU 73 C 0.0020 -0.0003 0.0046 1104 GLU 73 O 0.0022 -0.0006 0.0030 1105 GLU 73 CB 0.0021 -0.0009 0.0070 1106 GLU 73 CG 0.0028 -0.0022 0.0077 1107 GLU 73 CD 0.0024 -0.0017 0.0092 1108 GLU 73 OE1 0.0017 -0.0003 0.0091 1109 GLU 73 OE2 0.0028 -0.0026 0.0105 1110 GLU 73 H 0.0035 -0.0031 0.0043 1111 GLU 73 HA 0.0024 -0.0015 0.0070 1112 GLU 73 HB2 0.0017 -0.0002 0.0081 1113 GLU 73 HB3 0.0018 -0.0001 0.0061 1114 GLU 73 HG2 0.0032 -0.0032 0.0082 1115 GLU 73 HG3 0.0030 -0.0026 0.0067 1116 ARG 74 N -0.0014 0.0009 0.0016 1117 ARG 74 CA -0.0021 0.0024 0.0002 1118 ARG 74 C -0.0037 0.0030 0.0011 1119 ARG 74 O -0.0049 0.0028 0.0025 1120 ARG 74 CB -0.0024 0.0036 -0.0009 1121 ARG 74 CG -0.0010 0.0039 -0.0028 1122 ARG 74 CD -0.0011 0.0048 -0.0038 1123 ARG 74 NE -0.0004 0.0038 -0.0032 1124 ARG 74 CZ 0.0013 0.0028 -0.0035 1125 ARG 74 NH1 0.0026 0.0026 -0.0047 1126 ARG 74 NH2 0.0018 0.0017 -0.0027 1127 ARG 74 H -0.0024 0.0008 0.0027 1128 ARG 74 HA -0.0010 0.0023 -0.0006 1129 ARG 74 HB2 -0.0026 0.0032 -0.0003 1130 ARG 74 HB3 -0.0037 0.0047 -0.0011 1131 ARG 74 HG2 0.0004 0.0029 -0.0027 1132 ARG 74 HG3 -0.0011 0.0046 -0.0036 1133 ARG 74 HD2 -0.0025 0.0058 -0.0037 1134 ARG 74 HD3 -0.0004 0.0054 -0.0053 1135 ARG 74 HE -0.0013 0.0038 -0.0023 1136 ARG 74 HH11 0.0024 0.0035 -0.0056 1137 ARG 74 HH12 0.0039 0.0017 -0.0048 1138 ARG 74 HH21 0.0009 0.0017 -0.0017 1139 ARG 74 HH22 0.0031 0.0009 -0.0029 1140 GLY 75 N -0.0015 0.0028 -0.0010 1141 GLY 75 CA -0.0027 0.0027 -0.0006 1142 GLY 75 C -0.0038 0.0034 -0.0015 1143 GLY 75 O -0.0035 0.0040 -0.0024 1144 GLY 75 H -0.0008 0.0030 -0.0015 1145 GLY 75 HA2 -0.0031 0.0022 0.0001 1146 GLY 75 HA3 -0.0024 0.0025 -0.0004 1147 PRO 76 N -0.0044 0.0031 -0.0023 1148 PRO 76 CA -0.0058 0.0039 -0.0031 1149 PRO 76 C -0.0058 0.0046 -0.0044 1150 PRO 76 O -0.0067 0.0048 -0.0043 1151 PRO 76 CB -0.0072 0.0038 -0.0019 1152 PRO 76 CG -0.0067 0.0031 -0.0008 1153 PRO 76 CD -0.0049 0.0025 -0.0009 1154 PRO 76 HA -0.0057 0.0041 -0.0035 1155 PRO 76 HB2 -0.0082 0.0043 -0.0023 1156 PRO 76 HB3 -0.0074 0.0035 -0.0013 1157 PRO 76 HG2 -0.0073 0.0028 0.0003 1158 PRO 76 HG3 -0.0068 0.0034 -0.0013 1159 PRO 76 HD2 -0.0043 0.0022 -0.0007 1160 PRO 76 HD3 -0.0048 0.0021 -0.0000 1161 GLY 77 N -0.0079 0.0047 -0.0065 1162 GLY 77 CA -0.0084 0.0052 -0.0087 1163 GLY 77 C -0.0073 0.0049 -0.0084 1164 GLY 77 O -0.0054 0.0043 -0.0071 1165 GLY 77 H -0.0063 0.0044 -0.0065 1166 GLY 77 HA2 -0.0075 0.0054 -0.0105 1167 GLY 77 HA3 -0.0105 0.0056 -0.0090 1168 VAL 78 N -0.0085 0.0036 -0.0108 1169 VAL 78 CA -0.0073 0.0035 -0.0102 1170 VAL 78 C -0.0083 0.0029 -0.0095 1171 VAL 78 O -0.0090 0.0032 -0.0103 1172 VAL 78 CB -0.0062 0.0044 -0.0115 1173 VAL 78 CG1 -0.0048 0.0043 -0.0108 1174 VAL 78 CG2 -0.0053 0.0050 -0.0123 1175 VAL 78 H -0.0096 0.0037 -0.0115 1176 VAL 78 HA -0.0064 0.0032 -0.0094 1177 VAL 78 HB -0.0071 0.0047 -0.0124 1178 VAL 78 HG11 -0.0054 0.0039 -0.0103 1179 VAL 78 HG12 -0.0041 0.0050 -0.0117 1180 VAL 78 HG13 -0.0040 0.0040 -0.0100 1181 VAL 78 HG21 -0.0045 0.0056 -0.0131 1182 VAL 78 HG22 -0.0046 0.0047 -0.0114 1183 VAL 78 HG23 -0.0063 0.0052 -0.0130 1184 PRO 79 N -0.0049 0.0016 -0.0055 1185 PRO 79 CA -0.0057 0.0010 -0.0047 1186 PRO 79 C -0.0049 0.0012 -0.0044 1187 PRO 79 O -0.0048 0.0007 -0.0033 1188 PRO 79 CB -0.0059 0.0004 -0.0034 1189 PRO 79 CG -0.0046 0.0008 -0.0032 1190 PRO 79 CD -0.0043 0.0015 -0.0046 1191 PRO 79 HA -0.0067 0.0009 -0.0053 1192 PRO 79 HB2 -0.0061 -0.0000 -0.0025 1193 PRO 79 HB3 -0.0068 0.0002 -0.0036 1194 PRO 79 HG2 -0.0047 0.0005 -0.0026 1195 PRO 79 HG3 -0.0037 0.0009 -0.0027 1196 PRO 79 HD2 -0.0031 0.0019 -0.0047 1197 PRO 79 HD3 -0.0047 0.0015 -0.0050 1198 PHE 80 N -0.0071 0.0001 -0.0076 1199 PHE 80 CA -0.0057 0.0005 -0.0073 1200 PHE 80 C -0.0060 0.0013 -0.0096 1201 PHE 80 O -0.0059 0.0021 -0.0115 1202 PHE 80 CB -0.0031 0.0013 -0.0065 1203 PHE 80 CG -0.0025 0.0007 -0.0042 1204 PHE 80 CD1 -0.0020 0.0009 -0.0044 1205 PHE 80 CD2 -0.0023 -0.0001 -0.0020 1206 PHE 80 CE1 -0.0014 0.0004 -0.0023 1207 PHE 80 CE2 -0.0018 -0.0007 0.0001 1208 PHE 80 CZ -0.0013 -0.0004 -0.0000 1209 PHE 80 H -0.0074 0.0006 -0.0093 1210 PHE 80 HA -0.0064 -0.0003 -0.0059 1211 PHE 80 HB2 -0.0021 0.0016 -0.0063 1212 PHE 80 HB3 -0.0024 0.0021 -0.0080 1213 PHE 80 HD1 -0.0021 0.0015 -0.0061 1214 PHE 80 HD2 -0.0027 -0.0003 -0.0019 1215 PHE 80 HE1 -0.0011 0.0005 -0.0024 1216 PHE 80 HE2 -0.0017 -0.0013 0.0019 1217 PHE 80 HZ -0.0009 -0.0009 0.0016 1218 GLN 81 N -0.0104 -0.0010 -0.0108 1219 GLN 81 CA -0.0105 0.0001 -0.0143 1220 GLN 81 C -0.0077 0.0010 -0.0132 1221 GLN 81 O -0.0076 -0.0001 -0.0099 1222 GLN 81 CB -0.0149 -0.0014 -0.0156 1223 GLN 81 CG -0.0155 -0.0002 -0.0198 1224 GLN 81 CD -0.0189 -0.0016 -0.0200 1225 GLN 81 NE2 -0.0179 -0.0013 -0.0197 1226 GLN 81 OE1 -0.0224 -0.0030 -0.0208 1227 GLN 81 H -0.0104 -0.0020 -0.0079 1228 GLN 81 HA -0.0096 0.0015 -0.0170 1229 GLN 81 HB2 -0.0169 -0.0022 -0.0159 1230 GLN 81 HB3 -0.0158 -0.0026 -0.0132 1231 GLN 81 HG2 -0.0163 0.0003 -0.0223 1232 GLN 81 HG3 -0.0128 0.0012 -0.0204 1233 GLN 81 HE21 -0.0202 -0.0021 -0.0204 1234 GLN 81 HE22 -0.0150 -0.0002 -0.0191 1235 ARG 82 N -0.0084 0.0031 -0.0151 1236 ARG 82 CA -0.0058 0.0042 -0.0149 1237 ARG 82 C -0.0072 0.0028 -0.0140 1238 ARG 82 O -0.0101 0.0024 -0.0154 1239 ARG 82 CB -0.0049 0.0068 -0.0182 1240 ARG 82 CG -0.0029 0.0083 -0.0191 1241 ARG 82 CD -0.0023 0.0109 -0.0224 1242 ARG 82 NE -0.0003 0.0124 -0.0233 1243 ARG 82 CZ -0.0014 0.0130 -0.0250 1244 ARG 82 NH1 -0.0046 0.0123 -0.0264 1245 ARG 82 NH2 0.0007 0.0141 -0.0251 1246 ARG 82 H -0.0092 0.0040 -0.0173 1247 ARG 82 HA -0.0035 0.0041 -0.0131 1248 ARG 82 HB2 -0.0073 0.0068 -0.0201 1249 ARG 82 HB3 -0.0034 0.0075 -0.0181 1250 ARG 82 HG2 -0.0004 0.0084 -0.0173 1251 ARG 82 HG3 -0.0043 0.0076 -0.0190 1252 ARG 82 HD2 -0.0009 0.0116 -0.0225 1253 ARG 82 HD3 -0.0048 0.0108 -0.0242 1254 ARG 82 HE 0.0023 0.0129 -0.0222 1255 ARG 82 HH11 -0.0064 0.0114 -0.0263 1256 ARG 82 HH12 -0.0054 0.0124 -0.0271 1257 ARG 82 HH21 0.0032 0.0144 -0.0237 1258 ARG 82 HH22 -0.0002 0.0143 -0.0260 1259 GLY 83 N -0.0050 0.0019 -0.0105 1260 GLY 83 CA -0.0056 0.0001 -0.0087 1261 GLY 83 C -0.0076 -0.0030 -0.0067 1262 GLY 83 O -0.0081 -0.0046 -0.0051 1263 GLY 83 H -0.0031 0.0026 -0.0093 1264 GLY 83 HA2 -0.0068 0.0005 -0.0104 1265 GLY 83 HA3 -0.0033 0.0007 -0.0071 1266 GLN 84 N -0.0071 -0.0035 -0.0066 1267 GLN 84 CA -0.0095 -0.0064 -0.0042 1268 GLN 84 C -0.0075 -0.0071 -0.0005 1269 GLN 84 O -0.0048 -0.0053 -0.0003 1270 GLN 84 CB -0.0125 -0.0072 -0.0066 1271 GLN 84 CG -0.0150 -0.0070 -0.0100 1272 GLN 84 CD -0.0167 -0.0088 -0.0089 1273 GLN 84 NE2 -0.0170 -0.0078 -0.0111 1274 GLN 84 OE1 -0.0177 -0.0110 -0.0060 1275 GLN 84 H -0.0061 -0.0021 -0.0080 1276 GLN 84 HA -0.0108 -0.0077 -0.0035 1277 GLN 84 HB2 -0.0142 -0.0093 -0.0047 1278 GLN 84 HB3 -0.0114 -0.0059 -0.0076 1279 GLN 84 HG2 -0.0171 -0.0077 -0.0115 1280 GLN 84 HG3 -0.0134 -0.0049 -0.0120 1281 GLN 84 HE21 -0.0160 -0.0059 -0.0134 1282 GLN 84 HE22 -0.0179 -0.0090 -0.0101 1283 PRO 85 N -0.0064 -0.0108 0.0006 1284 PRO 85 CA -0.0054 -0.0107 0.0036 1285 PRO 85 C -0.0059 -0.0107 0.0020 1286 PRO 85 O -0.0076 -0.0116 -0.0012 1287 PRO 85 CB -0.0072 -0.0135 0.0069 1288 PRO 85 CG -0.0100 -0.0158 0.0044 1289 PRO 85 CD -0.0091 -0.0139 0.0010 1290 PRO 85 HA -0.0032 -0.0086 0.0049 1291 PRO 85 HB2 -0.0074 -0.0142 0.0086 1292 PRO 85 HB3 -0.0062 -0.0130 0.0088 1293 PRO 85 HG2 -0.0112 -0.0176 0.0061 1294 PRO 85 HG3 -0.0113 -0.0168 0.0031 1295 PRO 85 HD2 -0.0107 -0.0149 -0.0017 1296 PRO 85 HD3 -0.0089 -0.0139 0.0018 1297 PHE 86 N -0.0017 -0.0060 0.0043 1298 PHE 86 CA -0.0018 -0.0061 0.0039 1299 PHE 86 C -0.0016 -0.0063 0.0055 1300 PHE 86 O -0.0009 -0.0059 0.0067 1301 PHE 86 CB -0.0011 -0.0049 0.0027 1302 PHE 86 CG 0.0002 -0.0036 0.0034 1303 PHE 86 CD1 0.0008 -0.0033 0.0044 1304 PHE 86 CD2 0.0009 -0.0028 0.0031 1305 PHE 86 CE1 0.0020 -0.0022 0.0051 1306 PHE 86 CE2 0.0021 -0.0017 0.0038 1307 PHE 86 CZ 0.0026 -0.0014 0.0047 1308 PHE 86 H -0.0011 -0.0056 0.0054 1309 PHE 86 HA -0.0027 -0.0069 0.0033 1310 PHE 86 HB2 -0.0013 -0.0050 0.0023 1311 PHE 86 HB3 -0.0013 -0.0048 0.0016 1312 PHE 86 HD1 0.0003 -0.0039 0.0047 1313 PHE 86 HD2 0.0005 -0.0031 0.0024 1314 PHE 86 HE1 0.0024 -0.0019 0.0058 1315 PHE 86 HE2 0.0026 -0.0011 0.0035 1316 PHE 86 HZ 0.0035 -0.0005 0.0052 1317 GLU 87 N 0.0017 -0.0052 0.0042 1318 GLU 87 CA 0.0017 -0.0054 0.0040 1319 GLU 87 C 0.0009 -0.0049 0.0027 1320 GLU 87 O 0.0005 -0.0052 0.0018 1321 GLU 87 CB 0.0019 -0.0069 0.0042 1322 GLU 87 CG 0.0018 -0.0072 0.0039 1323 GLU 87 CD 0.0022 -0.0086 0.0044 1324 GLU 87 OE1 0.0020 -0.0090 0.0040 1325 GLU 87 OE2 0.0028 -0.0090 0.0055 1326 GLU 87 H 0.0014 -0.0054 0.0035 1327 GLU 87 HA 0.0020 -0.0048 0.0047 1328 GLU 87 HB2 0.0016 -0.0076 0.0035 1329 GLU 87 HB3 0.0024 -0.0072 0.0052 1330 GLU 87 HG2 0.0020 -0.0064 0.0044 1331 GLU 87 HG3 0.0013 -0.0071 0.0029 1332 VAL 88 N 0.0016 -0.0038 0.0029 1333 VAL 88 CA 0.0014 -0.0033 0.0022 1334 VAL 88 C 0.0015 -0.0036 0.0024 1335 VAL 88 O 0.0018 -0.0035 0.0032 1336 VAL 88 CB 0.0016 -0.0023 0.0022 1337 VAL 88 CG1 0.0015 -0.0018 0.0015 1338 VAL 88 CG2 0.0015 -0.0020 0.0019 1339 VAL 88 H 0.0019 -0.0036 0.0035 1340 VAL 88 HA 0.0012 -0.0036 0.0016 1341 VAL 88 HB 0.0019 -0.0020 0.0028 1342 VAL 88 HG11 0.0015 -0.0019 0.0018 1343 VAL 88 HG12 0.0016 -0.0010 0.0015 1344 VAL 88 HG13 0.0012 -0.0021 0.0009 1345 VAL 88 HG21 0.0016 -0.0023 0.0023 1346 VAL 88 HG22 0.0017 -0.0012 0.0019 1347 VAL 88 HG23 0.0013 -0.0022 0.0012 1348 LEU 89 N 0.0026 -0.0027 0.0016 1349 LEU 89 CA 0.0025 -0.0028 0.0014 1350 LEU 89 C 0.0021 -0.0022 0.0009 1351 LEU 89 O 0.0018 -0.0021 0.0003 1352 LEU 89 CB 0.0025 -0.0037 0.0011 1353 LEU 89 CG 0.0028 -0.0044 0.0015 1354 LEU 89 CD1 0.0027 -0.0052 0.0010 1355 LEU 89 CD2 0.0032 -0.0044 0.0022 1356 LEU 89 H 0.0024 -0.0027 0.0012 1357 LEU 89 HA 0.0027 -0.0027 0.0019 1358 LEU 89 HB2 0.0022 -0.0037 0.0005 1359 LEU 89 HB3 0.0025 -0.0037 0.0010 1360 LEU 89 HG 0.0028 -0.0043 0.0016 1361 LEU 89 HD11 0.0030 -0.0057 0.0013 1362 LEU 89 HD12 0.0025 -0.0052 0.0005 1363 LEU 89 HD13 0.0027 -0.0053 0.0009 1364 LEU 89 HD21 0.0034 -0.0049 0.0025 1365 LEU 89 HD22 0.0033 -0.0039 0.0026 1366 LEU 89 HD23 0.0032 -0.0045 0.0021 1367 ILE 90 N 0.0029 -0.0006 0.0009 1368 ILE 90 CA 0.0028 -0.0002 0.0006 1369 ILE 90 C 0.0028 -0.0001 0.0002 1370 ILE 90 O 0.0027 0.0001 0.0003 1371 ILE 90 CB 0.0025 0.0001 0.0008 1372 ILE 90 CG1 0.0025 -0.0001 0.0011 1373 ILE 90 CG2 0.0023 0.0004 0.0005 1374 ILE 90 CD1 0.0022 0.0002 0.0014 1375 ILE 90 H 0.0028 -0.0005 0.0011 1376 ILE 90 HA 0.0029 -0.0003 0.0004 1377 ILE 90 HB 0.0023 0.0001 0.0010 1378 ILE 90 HG12 0.0026 -0.0003 0.0013 1379 ILE 90 HG13 0.0026 -0.0001 0.0009 1380 ILE 90 HG21 0.0021 0.0006 0.0006 1381 ILE 90 HG22 0.0024 0.0004 0.0003 1382 ILE 90 HG23 0.0023 0.0005 0.0003 1383 ILE 90 HD11 0.0022 0.0000 0.0016 1384 ILE 90 HD12 0.0020 0.0004 0.0012 1385 ILE 90 HD13 0.0021 0.0002 0.0016 1386 ILE 91 N 0.0033 0.0005 0.0000 1387 ILE 91 CA 0.0035 0.0011 -0.0002 1388 ILE 91 C 0.0038 0.0016 -0.0005 1389 ILE 91 O 0.0043 0.0014 -0.0007 1390 ILE 91 CB 0.0040 0.0009 -0.0004 1391 ILE 91 CG1 0.0037 0.0004 -0.0001 1392 ILE 91 CG2 0.0042 0.0016 -0.0007 1393 ILE 91 CD1 0.0042 0.0000 -0.0003 1394 ILE 91 H 0.0036 0.0001 -0.0000 1395 ILE 91 HA 0.0030 0.0014 -0.0001 1396 ILE 91 HB 0.0044 0.0006 -0.0005 1397 ILE 91 HG12 0.0033 0.0007 -0.0001 1398 ILE 91 HG13 0.0034 0.0001 0.0001 1399 ILE 91 HG21 0.0045 0.0014 -0.0008 1400 ILE 91 HG22 0.0044 0.0019 -0.0009 1401 ILE 91 HG23 0.0038 0.0019 -0.0006 1402 ILE 91 HD11 0.0040 -0.0003 -0.0001 1403 ILE 91 HD12 0.0046 -0.0003 -0.0004 1404 ILE 91 HD13 0.0045 0.0004 -0.0005 1405 ALA 92 N 0.0041 0.0027 -0.0015 1406 ALA 92 CA 0.0041 0.0029 -0.0017 1407 ALA 92 C 0.0050 0.0035 -0.0019 1408 ALA 92 O 0.0052 0.0041 -0.0025 1409 ALA 92 CB 0.0032 0.0031 -0.0023 1410 ALA 92 H 0.0038 0.0030 -0.0019 1411 ALA 92 HA 0.0041 0.0024 -0.0012 1412 ALA 92 HB1 0.0031 0.0033 -0.0024 1413 ALA 92 HB2 0.0026 0.0027 -0.0021 1414 ALA 92 HB3 0.0031 0.0036 -0.0027 1415 SER 93 N 0.0051 0.0043 -0.0005 1416 SER 93 CA 0.0057 0.0049 -0.0005 1417 SER 93 C 0.0053 0.0045 -0.0005 1418 SER 93 O 0.0046 0.0037 -0.0005 1419 SER 93 CB 0.0067 0.0050 0.0003 1420 SER 93 OG 0.0068 0.0042 0.0011 1421 SER 93 H 0.0050 0.0037 -0.0000 1422 SER 93 HA 0.0058 0.0056 -0.0010 1423 SER 93 HB2 0.0070 0.0056 0.0002 1424 SER 93 HB3 0.0071 0.0053 0.0005 1425 SER 93 HG 0.0071 0.0041 0.0016 1426 ASP 94 N 0.0061 0.0058 -0.0009 1427 ASP 94 CA 0.0059 0.0056 -0.0008 1428 ASP 94 C 0.0061 0.0045 0.0003 1429 ASP 94 O 0.0054 0.0038 0.0004 1430 ASP 94 CB 0.0068 0.0067 -0.0011 1431 ASP 94 CG 0.0080 0.0073 -0.0007 1432 ASP 94 OD1 0.0086 0.0067 0.0004 1433 ASP 94 OD2 0.0080 0.0080 -0.0013 1434 ASP 94 H 0.0069 0.0066 -0.0009 1435 ASP 94 HA 0.0050 0.0054 -0.0014 1436 ASP 94 HB2 0.0064 0.0073 -0.0020 1437 ASP 94 HB3 0.0070 0.0065 -0.0007 1438 ASP 95 N 0.0064 0.0046 0.0020 1439 ASP 95 CA 0.0067 0.0037 0.0030 1440 ASP 95 C 0.0062 0.0027 0.0033 1441 ASP 95 O 0.0063 0.0019 0.0041 1442 ASP 95 CB 0.0079 0.0042 0.0038 1443 ASP 95 CG 0.0083 0.0045 0.0039 1444 ASP 95 OD1 0.0078 0.0045 0.0034 1445 ASP 95 OD2 0.0091 0.0044 0.0048 1446 ASP 95 H 0.0069 0.0053 0.0020 1447 ASP 95 HA 0.0065 0.0034 0.0031 1448 ASP 95 HB2 0.0081 0.0035 0.0045 1449 ASP 95 HB3 0.0082 0.0049 0.0035 1450 GLY 96 N 0.0056 0.0026 0.0025 1451 GLY 96 CA 0.0052 0.0018 0.0027 1452 GLY 96 C 0.0047 0.0021 0.0020 1453 GLY 96 O 0.0047 0.0029 0.0013 1454 GLY 96 H 0.0055 0.0032 0.0019 1455 GLY 96 HA2 0.0046 0.0012 0.0026 1456 GLY 96 HA3 0.0056 0.0016 0.0034 1457 PHE 97 N 0.0038 0.0014 0.0017 1458 PHE 97 CA 0.0037 0.0015 0.0015 1459 PHE 97 C 0.0043 0.0015 0.0019 1460 PHE 97 O 0.0045 0.0011 0.0024 1461 PHE 97 CB 0.0031 0.0009 0.0015 1462 PHE 97 CG 0.0025 0.0009 0.0011 1463 PHE 97 CD1 0.0022 0.0013 0.0005 1464 PHE 97 CD2 0.0022 0.0004 0.0012 1465 PHE 97 CE1 0.0016 0.0012 0.0001 1466 PHE 97 CE2 0.0016 0.0004 0.0008 1467 PHE 97 CZ 0.0013 0.0008 0.0002 1468 PHE 97 H 0.0038 0.0010 0.0021 1469 PHE 97 HA 0.0036 0.0019 0.0011 1470 PHE 97 HB2 0.0031 0.0005 0.0019 1471 PHE 97 HB3 0.0030 0.0010 0.0014 1472 PHE 97 HD1 0.0024 0.0016 0.0003 1473 PHE 97 HD2 0.0024 0.0001 0.0017 1474 PHE 97 HE1 0.0014 0.0015 -0.0004 1475 PHE 97 HE2 0.0014 0.0000 0.0010 1476 PHE 97 HZ 0.0009 0.0007 -0.0001 1477 LYS 98 N 0.0033 0.0007 0.0017 1478 LYS 98 CA 0.0038 0.0007 0.0020 1479 LYS 98 C 0.0033 0.0003 0.0020 1480 LYS 98 O 0.0028 0.0006 0.0015 1481 LYS 98 CB 0.0043 0.0015 0.0017 1482 LYS 98 CG 0.0049 0.0018 0.0018 1483 LYS 98 CD 0.0053 0.0026 0.0015 1484 LYS 98 CE 0.0048 0.0031 0.0008 1485 LYS 98 NZ 0.0052 0.0039 0.0005 1486 LYS 98 H 0.0030 0.0011 0.0013 1487 LYS 98 HA 0.0042 0.0004 0.0025 1488 LYS 98 HB2 0.0046 0.0015 0.0019 1489 LYS 98 HB3 0.0039 0.0018 0.0013 1490 LYS 98 HG2 0.0053 0.0015 0.0022 1491 LYS 98 HG3 0.0045 0.0018 0.0016 1492 LYS 98 HD2 0.0056 0.0027 0.0016 1493 LYS 98 HD3 0.0058 0.0028 0.0016 1494 LYS 98 HE2 0.0043 0.0030 0.0007 1495 LYS 98 HE3 0.0045 0.0030 0.0007 1496 LYS 98 HZ1 0.0048 0.0043 0.0001 1497 LYS 98 HZ2 0.0056 0.0041 0.0006 1498 LYS 98 HZ3 0.0055 0.0040 0.0006 1499 ALA 99 N 0.0018 -0.0002 0.0014 1500 ALA 99 CA 0.0016 -0.0004 0.0014 1501 ALA 99 C 0.0014 -0.0006 0.0013 1502 ALA 99 O 0.0014 -0.0007 0.0011 1503 ALA 99 CB 0.0018 -0.0005 0.0011 1504 ALA 99 H 0.0020 -0.0003 0.0013 1505 ALA 99 HA 0.0015 -0.0003 0.0015 1506 ALA 99 HB1 0.0017 -0.0006 0.0011 1507 ALA 99 HB2 0.0019 -0.0005 0.0010 1508 ALA 99 HB3 0.0020 -0.0003 0.0012 1509 VAL 100 N 0.0012 -0.0016 0.0005 1510 VAL 100 CA 0.0008 -0.0022 0.0005 1511 VAL 100 C 0.0006 -0.0025 0.0006 1512 VAL 100 O 0.0006 -0.0022 0.0011 1513 VAL 100 CB 0.0005 -0.0024 0.0010 1514 VAL 100 CG1 0.0001 -0.0031 0.0009 1515 VAL 100 CG2 0.0007 -0.0021 0.0008 1516 VAL 100 H 0.0012 -0.0013 0.0009 1517 VAL 100 HA 0.0009 -0.0025 -0.0000 1518 VAL 100 HB 0.0005 -0.0022 0.0014 1519 VAL 100 HG11 -0.0000 -0.0033 0.0010 1520 VAL 100 HG12 -0.0001 -0.0031 0.0013 1521 VAL 100 HG13 0.0002 -0.0033 0.0005 1522 VAL 100 HG21 0.0005 -0.0023 0.0012 1523 VAL 100 HG22 0.0010 -0.0016 0.0009 1524 VAL 100 HG23 0.0009 -0.0023 0.0003 1525 VAL 101 N -0.0019 -0.0028 0.0001 1526 VAL 101 CA -0.0019 -0.0028 0.0002 1527 VAL 101 C -0.0024 -0.0036 0.0001 1528 VAL 101 O -0.0026 -0.0039 -0.0006 1529 VAL 101 CB -0.0017 -0.0024 -0.0003 1530 VAL 101 CG1 -0.0017 -0.0024 -0.0000 1531 VAL 101 CG2 -0.0012 -0.0016 -0.0004 1532 VAL 101 H -0.0021 -0.0031 -0.0004 1533 VAL 101 HA -0.0018 -0.0027 0.0009 1534 VAL 101 HB -0.0018 -0.0026 -0.0010 1535 VAL 101 HG11 -0.0014 -0.0020 -0.0004 1536 VAL 101 HG12 -0.0015 -0.0022 0.0007 1537 VAL 101 HG13 -0.0020 -0.0029 -0.0000 1538 VAL 101 HG21 -0.0010 -0.0012 -0.0008 1539 VAL 101 HG22 -0.0010 -0.0013 0.0002 1540 VAL 101 HG23 -0.0012 -0.0015 -0.0008 1541 GLY 102 N -0.0014 -0.0051 0.0005 1542 GLY 102 CA -0.0020 -0.0058 0.0004 1543 GLY 102 C -0.0026 -0.0064 0.0003 1544 GLY 102 O -0.0031 -0.0067 -0.0004 1545 GLY 102 H -0.0010 -0.0049 0.0011 1546 GLY 102 HA2 -0.0020 -0.0061 0.0011 1547 GLY 102 HA3 -0.0022 -0.0057 -0.0002 1548 ASP 103 N -0.0011 -0.0057 0.0007 1549 ASP 103 CA -0.0016 -0.0063 0.0008 1550 ASP 103 C -0.0018 -0.0061 -0.0002 1551 ASP 103 O -0.0019 -0.0063 -0.0001 1552 ASP 103 CB -0.0023 -0.0072 0.0010 1553 ASP 103 CG -0.0021 -0.0075 0.0021 1554 ASP 103 OD1 -0.0015 -0.0069 0.0027 1555 ASP 103 OD2 -0.0027 -0.0082 0.0023 1556 ASP 103 H -0.0007 -0.0055 0.0014 1557 ASP 103 HA -0.0013 -0.0062 0.0014 1558 ASP 103 HB2 -0.0026 -0.0076 0.0011 1559 ASP 103 HB3 -0.0027 -0.0073 0.0004 1560 ALA 104 N -0.0034 -0.0046 -0.0002 1561 ALA 104 CA -0.0034 -0.0043 -0.0010 1562 ALA 104 C -0.0027 -0.0036 -0.0008 1563 ALA 104 O -0.0021 -0.0030 -0.0007 1564 ALA 104 CB -0.0035 -0.0040 -0.0020 1565 ALA 104 H -0.0033 -0.0045 -0.0003 1566 ALA 104 HA -0.0039 -0.0048 -0.0011 1567 ALA 104 HB1 -0.0036 -0.0038 -0.0026 1568 ALA 104 HB2 -0.0031 -0.0036 -0.0019 1569 ALA 104 HB3 -0.0040 -0.0045 -0.0021 1570 GLN 105 N -0.0017 -0.0026 0.0001 1571 GLN 105 CA -0.0005 -0.0019 0.0001 1572 GLN 105 C 0.0002 -0.0023 -0.0011 1573 GLN 105 O 0.0004 -0.0028 -0.0019 1574 GLN 105 CB 0.0000 -0.0013 0.0007 1575 GLN 105 CG 0.0014 -0.0006 0.0005 1576 GLN 105 CD 0.0020 0.0003 0.0014 1577 GLN 105 NE2 0.0031 0.0008 0.0014 1578 GLN 105 OE1 0.0014 0.0005 0.0022 1579 GLN 105 H -0.0021 -0.0028 0.0001 1580 GLN 105 HA -0.0005 -0.0016 0.0006 1581 GLN 105 HB2 -0.0004 -0.0010 0.0016 1582 GLN 105 HB3 -0.0001 -0.0016 0.0003 1583 GLN 105 HG2 0.0015 -0.0005 0.0005 1584 GLN 105 HG3 0.0019 -0.0009 -0.0003 1585 GLN 105 HE21 0.0035 0.0007 0.0008 1586 GLN 105 HE22 0.0035 0.0014 0.0019 1587 TYR 106 N -0.0034 -0.0014 -0.0002 1588 TYR 106 CA -0.0033 -0.0006 -0.0007 1589 TYR 106 C -0.0034 -0.0005 -0.0007 1590 TYR 106 O -0.0038 -0.0001 -0.0012 1591 TYR 106 CB -0.0025 -0.0002 -0.0007 1592 TYR 106 CG -0.0023 0.0006 -0.0012 1593 TYR 106 CD1 -0.0028 0.0011 -0.0016 1594 TYR 106 CD2 -0.0016 0.0008 -0.0011 1595 TYR 106 CE1 -0.0027 0.0018 -0.0021 1596 TYR 106 CE2 -0.0015 0.0015 -0.0015 1597 TYR 106 CZ -0.0020 0.0020 -0.0020 1598 TYR 106 OH -0.0019 0.0027 -0.0024 1599 TYR 106 H -0.0028 -0.0016 0.0001 1600 TYR 106 HA -0.0038 -0.0004 -0.0010 1601 TYR 106 HB2 -0.0025 -0.0002 -0.0007 1602 TYR 106 HB3 -0.0020 -0.0005 -0.0004 1603 TYR 106 HD1 -0.0033 0.0009 -0.0017 1604 TYR 106 HD2 -0.0012 0.0004 -0.0008 1605 TYR 106 HE1 -0.0031 0.0022 -0.0024 1606 TYR 106 HE2 -0.0009 0.0017 -0.0015 1607 TYR 106 HH -0.0021 0.0031 -0.0027 1608 HIS 107 N 0.0004 0.0006 0.0027 1609 HIS 107 CA 0.0008 0.0003 0.0030 1610 HIS 107 C 0.0009 0.0003 0.0034 1611 HIS 107 O 0.0007 0.0004 0.0034 1612 HIS 107 CB 0.0011 -0.0001 0.0027 1613 HIS 107 CG 0.0014 -0.0005 0.0030 1614 HIS 107 CD2 0.0017 -0.0009 0.0030 1615 HIS 107 ND1 0.0014 -0.0004 0.0034 1616 HIS 107 CE1 0.0018 -0.0008 0.0036 1617 HIS 107 NE2 0.0020 -0.0011 0.0033 1618 HIS 107 H 0.0003 0.0007 0.0027 1619 HIS 107 HA 0.0008 0.0003 0.0033 1620 HIS 107 HB2 0.0010 -0.0001 0.0024 1621 HIS 107 HB3 0.0011 -0.0002 0.0025 1622 HIS 107 HD2 0.0018 -0.0010 0.0027 1623 HIS 107 HE1 0.0019 -0.0009 0.0039 1624 HIS 107 HE2 0.0022 -0.0014 0.0034 1625 HIS 108 N 0.0045 0.0004 0.0033 1626 HIS 108 CA 0.0046 0.0007 0.0034 1627 HIS 108 C 0.0049 0.0000 0.0035 1628 HIS 108 O 0.0055 -0.0003 0.0039 1629 HIS 108 CB 0.0051 0.0015 0.0039 1630 HIS 108 CG 0.0052 0.0019 0.0040 1631 HIS 108 CD2 0.0047 0.0024 0.0037 1632 HIS 108 ND1 0.0058 0.0018 0.0045 1633 HIS 108 CE1 0.0057 0.0023 0.0044 1634 HIS 108 NE2 0.0050 0.0027 0.0040 1635 HIS 108 H 0.0049 -0.0002 0.0035 1636 HIS 108 HA 0.0041 0.0010 0.0031 1637 HIS 108 HB2 0.0056 0.0012 0.0043 1638 HIS 108 HB3 0.0049 0.0020 0.0038 1639 HIS 108 HD2 0.0042 0.0026 0.0033 1640 HIS 108 HE1 0.0061 0.0024 0.0047 1641 HIS 108 HE2 0.0048 0.0032 0.0039 1642 PHE 109 N 0.0043 0.0005 0.0051 1643 PHE 109 CA 0.0041 -0.0001 0.0052 1644 PHE 109 C 0.0040 -0.0000 0.0050 1645 PHE 109 O 0.0038 0.0002 0.0045 1646 PHE 109 CB 0.0037 -0.0005 0.0048 1647 PHE 109 CG 0.0034 -0.0011 0.0048 1648 PHE 109 CD1 0.0031 -0.0012 0.0044 1649 PHE 109 CD2 0.0034 -0.0016 0.0052 1650 PHE 109 CE1 0.0028 -0.0018 0.0044 1651 PHE 109 CE2 0.0031 -0.0022 0.0052 1652 PHE 109 CZ 0.0028 -0.0023 0.0048 1653 PHE 109 H 0.0042 0.0007 0.0047 1654 PHE 109 HA 0.0042 -0.0004 0.0056 1655 PHE 109 HB2 0.0035 -0.0002 0.0043 1656 PHE 109 HB3 0.0037 -0.0005 0.0049 1657 PHE 109 HD1 0.0031 -0.0008 0.0041 1658 PHE 109 HD2 0.0036 -0.0015 0.0055 1659 PHE 109 HE1 0.0026 -0.0018 0.0041 1660 PHE 109 HE2 0.0031 -0.0026 0.0055 1661 PHE 109 HZ 0.0026 -0.0027 0.0048 1662 ARG 110 N 0.0054 -0.0008 0.0062 1663 ARG 110 CA 0.0054 -0.0002 0.0059 1664 ARG 110 C 0.0044 -0.0008 0.0053 1665 ARG 110 O 0.0038 -0.0019 0.0054 1666 ARG 110 CB 0.0063 -0.0004 0.0068 1667 ARG 110 CG 0.0074 0.0003 0.0073 1668 ARG 110 CD 0.0083 0.0007 0.0080 1669 ARG 110 NE 0.0093 0.0015 0.0083 1670 ARG 110 CZ 0.0095 0.0027 0.0078 1671 ARG 110 NH1 0.0090 0.0033 0.0070 1672 ARG 110 NH2 0.0101 0.0033 0.0080 1673 ARG 110 H 0.0059 -0.0012 0.0069 1674 ARG 110 HA 0.0056 0.0007 0.0054 1675 ARG 110 HB2 0.0063 0.0000 0.0065 1676 ARG 110 HB3 0.0062 -0.0013 0.0073 1677 ARG 110 HG2 0.0075 -0.0002 0.0078 1678 ARG 110 HG3 0.0073 0.0011 0.0068 1679 ARG 110 HD2 0.0085 -0.0002 0.0086 1680 ARG 110 HD3 0.0081 0.0011 0.0076 1681 ARG 110 HE 0.0096 0.0012 0.0089 1682 ARG 110 HH11 0.0090 0.0041 0.0065 1683 ARG 110 HH12 0.0085 0.0029 0.0068 1684 ARG 110 HH21 0.0101 0.0042 0.0075 1685 ARG 110 HH22 0.0103 0.0029 0.0084 1686 HIS 111 N 0.0049 -0.0000 0.0047 1687 HIS 111 CA 0.0039 -0.0006 0.0040 1688 HIS 111 C 0.0037 -0.0017 0.0046 1689 HIS 111 O 0.0044 -0.0017 0.0054 1690 HIS 111 CB 0.0036 0.0003 0.0030 1691 HIS 111 CG 0.0036 0.0011 0.0021 1692 HIS 111 CD2 0.0040 0.0023 0.0017 1693 HIS 111 ND1 0.0030 0.0009 0.0017 1694 HIS 111 CE1 0.0032 0.0019 0.0011 1695 HIS 111 NE2 0.0038 0.0028 0.0010 1696 HIS 111 H 0.0054 0.0008 0.0046 1697 HIS 111 HA 0.0033 -0.0009 0.0036 1698 HIS 111 HB2 0.0029 -0.0002 0.0026 1699 HIS 111 HB3 0.0042 0.0007 0.0033 1700 HIS 111 HD2 0.0045 0.0028 0.0018 1701 HIS 111 HE1 0.0029 0.0020 0.0007 1702 HIS 111 HE2 0.0041 0.0037 0.0006 1703 ARG 112 N 0.0036 -0.0020 0.0056 1704 ARG 112 CA 0.0034 -0.0033 0.0061 1705 ARG 112 C 0.0027 -0.0038 0.0053 1706 ARG 112 O 0.0028 -0.0041 0.0056 1707 ARG 112 CB 0.0033 -0.0043 0.0064 1708 ARG 112 CG 0.0040 -0.0039 0.0073 1709 ARG 112 CD 0.0037 -0.0048 0.0074 1710 ARG 112 NE 0.0043 -0.0046 0.0082 1711 ARG 112 CZ 0.0042 -0.0054 0.0085 1712 ARG 112 NH1 0.0035 -0.0065 0.0081 1713 ARG 112 NH2 0.0048 -0.0052 0.0092 1714 ARG 112 H 0.0031 -0.0019 0.0048 1715 ARG 112 HA 0.0040 -0.0033 0.0069 1716 ARG 112 HB2 0.0031 -0.0052 0.0068 1717 ARG 112 HB3 0.0027 -0.0043 0.0056 1718 ARG 112 HG2 0.0045 -0.0040 0.0081 1719 ARG 112 HG3 0.0042 -0.0029 0.0070 1720 ARG 112 HD2 0.0032 -0.0047 0.0065 1721 ARG 112 HD3 0.0035 -0.0058 0.0076 1722 ARG 112 HE 0.0048 -0.0038 0.0084 1723 ARG 112 HH11 0.0034 -0.0070 0.0083 1724 ARG 112 HH12 0.0030 -0.0066 0.0075 1725 ARG 112 HH21 0.0047 -0.0059 0.0095 1726 ARG 112 HH22 0.0053 -0.0044 0.0096 1727 LEU 113 N 0.0016 -0.0029 0.0049 1728 LEU 113 CA 0.0005 -0.0030 0.0036 1729 LEU 113 C 0.0009 -0.0016 0.0025 1730 LEU 113 O 0.0016 -0.0007 0.0025 1731 LEU 113 CB -0.0005 -0.0038 0.0031 1732 LEU 113 CG -0.0006 -0.0050 0.0041 1733 LEU 113 CD1 -0.0019 -0.0058 0.0034 1734 LEU 113 CD2 -0.0005 -0.0059 0.0054 1735 LEU 113 H 0.0018 -0.0026 0.0048 1736 LEU 113 HA 0.0003 -0.0036 0.0039 1737 LEU 113 HB2 -0.0005 -0.0031 0.0023 1738 LEU 113 HB3 -0.0013 -0.0043 0.0024 1739 LEU 113 HG 0.0000 -0.0045 0.0045 1740 LEU 113 HD11 -0.0019 -0.0065 0.0041 1741 LEU 113 HD12 -0.0026 -0.0063 0.0030 1742 LEU 113 HD13 -0.0020 -0.0051 0.0024 1743 LEU 113 HD21 0.0005 -0.0055 0.0061 1744 LEU 113 HD22 -0.0009 -0.0062 0.0050 1745 LEU 113 HD23 -0.0008 -0.0068 0.0059 1746 PRO 114 N -0.0000 -0.0016 0.0009 1747 PRO 114 CA 0.0002 0.0000 -0.0003 1748 PRO 114 C -0.0005 0.0006 -0.0013 1749 PRO 114 O -0.0017 -0.0002 -0.0019 1750 PRO 114 CB -0.0006 0.0001 -0.0011 1751 PRO 114 CG -0.0006 -0.0013 0.0000 1752 PRO 114 CD -0.0008 -0.0026 0.0009 1753 PRO 114 HA 0.0013 0.0008 0.0003 1754 PRO 114 HB2 -0.0000 0.0012 -0.0014 1755 PRO 114 HB3 -0.0017 -0.0001 -0.0020 1756 PRO 114 HG2 -0.0016 -0.0018 -0.0005 1757 PRO 114 HG3 0.0004 -0.0010 0.0008 1758 PRO 114 HD2 -0.0020 -0.0033 0.0003 1759 PRO 114 HD3 -0.0003 -0.0033 0.0019 1760 LEU 115 N -0.0007 0.0015 -0.0023 1761 LEU 115 CA -0.0009 0.0019 -0.0028 1762 LEU 115 C -0.0020 0.0019 -0.0038 1763 LEU 115 O -0.0026 0.0016 -0.0038 1764 LEU 115 CB 0.0001 0.0029 -0.0031 1765 LEU 115 CG 0.0012 0.0029 -0.0023 1766 LEU 115 CD1 0.0021 0.0040 -0.0028 1767 LEU 115 CD2 0.0009 0.0024 -0.0020 1768 LEU 115 H 0.0001 0.0019 -0.0020 1769 LEU 115 HA -0.0009 0.0014 -0.0023 1770 LEU 115 HB2 0.0004 0.0033 -0.0034 1771 LEU 115 HB3 -0.0002 0.0033 -0.0038 1772 LEU 115 HG 0.0015 0.0026 -0.0016 1773 LEU 115 HD11 0.0023 0.0043 -0.0030 1774 LEU 115 HD12 0.0018 0.0043 -0.0035 1775 LEU 115 HD13 0.0029 0.0040 -0.0022 1776 LEU 115 HD21 0.0017 0.0026 -0.0015 1777 LEU 115 HD22 0.0004 0.0027 -0.0026 1778 LEU 115 HD23 0.0005 0.0016 -0.0015 1779 ALA 116 N -0.0023 0.0025 -0.0053 1780 ALA 116 CA -0.0038 0.0025 -0.0066 1781 ALA 116 C -0.0053 0.0011 -0.0063 1782 ALA 116 O -0.0066 0.0010 -0.0074 1783 ALA 116 CB -0.0038 0.0032 -0.0075 1784 ALA 116 H -0.0016 0.0028 -0.0050 1785 ALA 116 HA -0.0037 0.0031 -0.0073 1786 ALA 116 HB1 -0.0048 0.0033 -0.0086 1787 ALA 116 HB2 -0.0038 0.0026 -0.0068 1788 ALA 116 HB3 -0.0027 0.0042 -0.0078 1789 ARG 117 N -0.0045 0.0009 -0.0042 1790 ARG 117 CA -0.0057 -0.0008 -0.0042 1791 ARG 117 C -0.0064 -0.0008 -0.0048 1792 ARG 117 O -0.0077 -0.0016 -0.0054 1793 ARG 117 CB -0.0052 -0.0023 -0.0028 1794 ARG 117 CG -0.0047 -0.0026 -0.0022 1795 ARG 117 CD -0.0047 -0.0044 -0.0010 1796 ARG 117 NE -0.0063 -0.0057 -0.0016 1797 ARG 117 CZ -0.0066 -0.0073 -0.0009 1798 ARG 117 NH1 -0.0057 -0.0081 0.0004 1799 ARG 117 NH2 -0.0080 -0.0083 -0.0015 1800 ARG 117 H -0.0035 0.0010 -0.0033 1801 ARG 117 HA -0.0066 -0.0010 -0.0049 1802 ARG 117 HB2 -0.0042 -0.0021 -0.0020 1803 ARG 117 HB3 -0.0061 -0.0034 -0.0029 1804 ARG 117 HG2 -0.0055 -0.0024 -0.0030 1805 ARG 117 HG3 -0.0036 -0.0017 -0.0018 1806 ARG 117 HD2 -0.0041 -0.0047 -0.0003 1807 ARG 117 HD3 -0.0042 -0.0045 -0.0005 1808 ARG 117 HE -0.0071 -0.0053 -0.0026 1809 ARG 117 HH11 -0.0061 -0.0094 0.0008 1810 ARG 117 HH12 -0.0046 -0.0076 0.0010 1811 ARG 117 HH21 -0.0082 -0.0096 -0.0009 1812 ARG 117 HH22 -0.0089 -0.0079 -0.0025 1813 VAL 118 N -0.0051 0.0001 -0.0041 1814 VAL 118 CA -0.0049 0.0001 -0.0039 1815 VAL 118 C -0.0055 0.0006 -0.0053 1816 VAL 118 O -0.0052 0.0015 -0.0063 1817 VAL 118 CB -0.0035 0.0008 -0.0033 1818 VAL 118 CG1 -0.0033 0.0008 -0.0032 1819 VAL 118 CG2 -0.0029 0.0002 -0.0019 1820 VAL 118 H -0.0042 0.0007 -0.0040 1821 VAL 118 HA -0.0055 -0.0007 -0.0032 1822 VAL 118 HB -0.0029 0.0016 -0.0039 1823 VAL 118 HG11 -0.0023 0.0012 -0.0026 1824 VAL 118 HG12 -0.0035 0.0013 -0.0042 1825 VAL 118 HG13 -0.0039 0.0000 -0.0026 1826 VAL 118 HG21 -0.0019 0.0007 -0.0014 1827 VAL 118 HG22 -0.0035 -0.0006 -0.0012 1828 VAL 118 HG23 -0.0029 0.0002 -0.0019 1829 ARG 119 N -0.0066 -0.0002 -0.0052 1830 ARG 119 CA -0.0075 0.0000 -0.0066 1831 ARG 119 C -0.0077 -0.0002 -0.0064 1832 ARG 119 O -0.0081 0.0001 -0.0075 1833 ARG 119 CB -0.0091 -0.0007 -0.0072 1834 ARG 119 CG -0.0090 -0.0002 -0.0080 1835 ARG 119 CD -0.0102 -0.0011 -0.0078 1836 ARG 119 NE -0.0098 -0.0006 -0.0081 1837 ARG 119 CZ -0.0101 -0.0013 -0.0074 1838 ARG 119 NH1 -0.0109 -0.0024 -0.0065 1839 ARG 119 NH2 -0.0096 -0.0008 -0.0077 1840 ARG 119 H -0.0069 -0.0010 -0.0042 1841 ARG 119 HA -0.0070 0.0009 -0.0075 1842 ARG 119 HB2 -0.0095 -0.0016 -0.0062 1843 ARG 119 HB3 -0.0098 -0.0007 -0.0080 1844 ARG 119 HG2 -0.0091 0.0005 -0.0092 1845 ARG 119 HG3 -0.0079 0.0003 -0.0075 1846 ARG 119 HD2 -0.0103 -0.0019 -0.0067 1847 ARG 119 HD3 -0.0112 -0.0013 -0.0087 1848 ARG 119 HE -0.0091 0.0002 -0.0087 1849 ARG 119 HH11 -0.0110 -0.0028 -0.0061 1850 ARG 119 HH12 -0.0112 -0.0029 -0.0061 1851 ARG 119 HH21 -0.0087 0.0001 -0.0080 1852 ARG 119 HH22 -0.0098 -0.0012 -0.0072 1853 LEU 120 N -0.0069 0.0003 -0.0049 1854 LEU 120 CA -0.0060 0.0007 -0.0044 1855 LEU 120 C -0.0050 0.0010 -0.0030 1856 LEU 120 O -0.0054 0.0007 -0.0019 1857 LEU 120 CB -0.0070 0.0002 -0.0042 1858 LEU 120 CG -0.0080 -0.0003 -0.0027 1859 LEU 120 CD1 -0.0082 -0.0005 -0.0021 1860 LEU 120 CD2 -0.0094 -0.0009 -0.0032 1861 LEU 120 H -0.0070 0.0002 -0.0042 1862 LEU 120 HA -0.0053 0.0010 -0.0054 1863 LEU 120 HB2 -0.0062 0.0005 -0.0040 1864 LEU 120 HB3 -0.0076 0.0000 -0.0052 1865 LEU 120 HG -0.0074 -0.0002 -0.0018 1866 LEU 120 HD21 -0.0099 -0.0011 -0.0042 1867 LEU 120 HD22 -0.0093 -0.0009 -0.0034 1868 LEU 120 HD23 -0.0101 -0.0013 -0.0022 1869 LEU 120 HD11 -0.0072 -0.0001 -0.0016 1870 LEU 120 HD12 -0.0090 -0.0009 -0.0012 1871 LEU 120 HD13 -0.0085 -0.0006 -0.0031 1872 VAL 121 N -0.0022 0.0012 -0.0012 1873 VAL 121 CA -0.0015 0.0013 0.0002 1874 VAL 121 C -0.0022 0.0014 0.0013 1875 VAL 121 O -0.0023 0.0014 0.0011 1876 VAL 121 CB 0.0001 0.0012 0.0001 1877 VAL 121 CG1 0.0008 0.0013 0.0014 1878 VAL 121 CG2 0.0008 0.0012 -0.0012 1879 VAL 121 H -0.0019 0.0012 -0.0016 1880 VAL 121 HA -0.0017 0.0013 0.0004 1881 VAL 121 HB 0.0002 0.0012 0.0002 1882 VAL 121 HG21 0.0004 0.0011 -0.0021 1883 VAL 121 HG22 0.0019 0.0011 -0.0011 1884 VAL 121 HG23 0.0005 0.0012 -0.0014 1885 VAL 121 HG11 0.0019 0.0012 0.0013 1886 VAL 121 HG12 0.0004 0.0013 0.0023 1887 VAL 121 HG13 0.0007 0.0013 0.0013 1888 GLU 122 N -0.0025 0.0032 -0.0006 1889 GLU 122 CA -0.0022 0.0046 0.0025 1890 GLU 122 C -0.0009 0.0041 0.0036 1891 GLU 122 O -0.0015 0.0037 0.0020 1892 GLU 122 CB -0.0047 0.0072 0.0029 1893 GLU 122 CG -0.0046 0.0089 0.0061 1894 GLU 122 CD -0.0070 0.0113 0.0064 1895 GLU 122 OE1 -0.0075 0.0113 0.0056 1896 GLU 122 OE2 -0.0081 0.0130 0.0077 1897 GLU 122 H -0.0031 0.0030 -0.0019 1898 GLU 122 HA -0.0010 0.0043 0.0037 1899 GLU 122 HB2 -0.0059 0.0076 0.0017 1900 GLU 122 HB3 -0.0056 0.0074 0.0019 1901 GLU 122 HG2 -0.0042 0.0091 0.0070 1902 GLU 122 HG3 -0.0031 0.0082 0.0074 1903 VAL 123 N 0.0031 0.0051 0.0067 1904 VAL 123 CA 0.0037 0.0043 0.0072 1905 VAL 123 C 0.0036 0.0054 0.0090 1906 VAL 123 O 0.0039 0.0057 0.0104 1907 VAL 123 CB 0.0049 0.0024 0.0074 1908 VAL 123 CG1 0.0055 0.0016 0.0078 1909 VAL 123 CG2 0.0050 0.0013 0.0057 1910 VAL 123 H 0.0032 0.0055 0.0077 1911 VAL 123 HA 0.0033 0.0044 0.0060 1912 VAL 123 HB 0.0053 0.0023 0.0087 1913 VAL 123 HG21 0.0047 0.0018 0.0056 1914 VAL 123 HG22 0.0059 -0.0000 0.0059 1915 VAL 123 HG23 0.0046 0.0015 0.0044 1916 VAL 123 HG11 0.0055 0.0022 0.0091 1917 VAL 123 HG12 0.0051 0.0017 0.0066 1918 VAL 123 HG13 0.0063 0.0002 0.0079 1919 GLY 124 N 0.0055 0.0067 0.0068 1920 GLY 124 CA 0.0053 0.0080 0.0086 1921 GLY 124 C 0.0055 0.0064 0.0067 1922 GLY 124 O 0.0058 0.0041 0.0040 1923 GLY 124 H 0.0057 0.0059 0.0039 1924 GLY 124 HA2 0.0051 0.0072 0.0116 1925 GLY 124 HA3 0.0052 0.0112 0.0084 1926 GLY 125 N 0.0077 0.0069 0.0047 1927 GLY 125 CA 0.0082 0.0042 0.0038 1928 GLY 125 C 0.0075 0.0002 0.0056 1929 GLY 125 O 0.0062 -0.0001 0.0085 1930 GLY 125 H 0.0067 0.0087 0.0068 1931 GLY 125 HA2 0.0078 0.0053 0.0046 1932 GLY 125 HA3 0.0096 0.0038 0.0009 1933 ASP 126 N 0.0125 0.0058 0.0006 1934 ASP 126 CA 0.0106 0.0051 -0.0000 1935 ASP 126 C 0.0085 0.0035 0.0016 1936 ASP 126 O 0.0065 0.0027 0.0006 1937 ASP 126 CB 0.0098 0.0055 -0.0030 1938 ASP 126 CG 0.0119 0.0071 -0.0047 1939 ASP 126 OD1 0.0131 0.0076 -0.0042 1940 ASP 126 OD2 0.0116 0.0076 -0.0068 1941 ASP 126 H 0.0126 0.0063 -0.0007 1942 ASP 126 HA 0.0115 0.0054 0.0004 1943 ASP 126 HB2 0.0089 0.0052 -0.0035 1944 ASP 126 HB3 0.0085 0.0050 -0.0035 1945 VAL 127 N 0.0079 0.0038 0.0059 1946 VAL 127 CA 0.0072 0.0023 0.0066 1947 VAL 127 C 0.0077 0.0019 0.0083 1948 VAL 127 O 0.0085 0.0027 0.0092 1949 VAL 127 CB 0.0070 0.0020 0.0065 1950 VAL 127 CG1 0.0079 0.0030 0.0072 1951 VAL 127 CG2 0.0063 0.0005 0.0071 1952 VAL 127 H 0.0086 0.0045 0.0066 1953 VAL 127 HA 0.0066 0.0016 0.0060 1954 VAL 127 HB 0.0066 0.0022 0.0053 1955 VAL 127 HG11 0.0084 0.0041 0.0067 1956 VAL 127 HG12 0.0077 0.0028 0.0069 1957 VAL 127 HG13 0.0083 0.0028 0.0084 1958 VAL 127 HG21 0.0057 -0.0002 0.0066 1959 VAL 127 HG22 0.0061 0.0004 0.0068 1960 VAL 127 HG23 0.0067 0.0003 0.0084 1961 GLN 128 N 0.0074 0.0027 0.0080 1962 GLN 128 CA 0.0083 0.0015 0.0104 1963 GLN 128 C 0.0078 -0.0008 0.0108 1964 GLN 128 O 0.0067 -0.0027 0.0099 1965 GLN 128 CB 0.0084 0.0006 0.0110 1966 GLN 128 CG 0.0088 0.0028 0.0105 1967 GLN 128 CD 0.0095 0.0025 0.0120 1968 GLN 128 NE2 0.0090 0.0002 0.0124 1969 GLN 128 OE1 0.0105 0.0042 0.0129 1970 GLN 128 H 0.0064 0.0018 0.0067 1971 GLN 128 HA 0.0094 0.0028 0.0116 1972 GLN 128 HB2 0.0092 -0.0001 0.0129 1973 GLN 128 HB3 0.0074 -0.0009 0.0100 1974 GLN 128 HG2 0.0096 0.0046 0.0109 1975 GLN 128 HG3 0.0079 0.0031 0.0086 1976 GLN 128 HE21 0.0082 -0.0013 0.0118 1977 GLN 128 HE22 0.0095 0.0000 0.0135 1978 LEU 129 N 0.0075 0.0004 0.0127 1979 LEU 129 CA 0.0073 -0.0008 0.0126 1980 LEU 129 C 0.0076 -0.0025 0.0140 1981 LEU 129 O 0.0083 -0.0023 0.0155 1982 LEU 129 CB 0.0077 0.0004 0.0130 1983 LEU 129 CG 0.0075 -0.0005 0.0129 1984 LEU 129 CD1 0.0065 -0.0008 0.0111 1985 LEU 129 CD2 0.0081 0.0008 0.0136 1986 LEU 129 H 0.0080 0.0016 0.0131 1987 LEU 129 HA 0.0066 -0.0013 0.0114 1988 LEU 129 HB2 0.0075 0.0016 0.0120 1989 LEU 129 HB3 0.0084 0.0009 0.0142 1990 LEU 129 HG 0.0076 -0.0018 0.0137 1991 LEU 129 HD21 0.0080 0.0001 0.0137 1992 LEU 129 HD22 0.0080 0.0021 0.0128 1993 LEU 129 HD23 0.0088 0.0011 0.0149 1994 LEU 129 HD11 0.0064 -0.0015 0.0111 1995 LEU 129 HD12 0.0061 -0.0016 0.0105 1996 LEU 129 HD13 0.0064 0.0005 0.0103 1997 ASP 130 N 0.0058 -0.0039 0.0141 1998 ASP 130 CA 0.0058 -0.0054 0.0152 1999 ASP 130 C 0.0060 -0.0051 0.0158 2000 ASP 130 O 0.0063 -0.0050 0.0174 2001 ASP 130 CB 0.0052 -0.0072 0.0143 2002 ASP 130 CG 0.0050 -0.0088 0.0147 2003 ASP 130 OD1 0.0047 -0.0103 0.0144 2004 ASP 130 OD2 0.0051 -0.0085 0.0146 2005 ASP 130 H 0.0056 -0.0040 0.0128 2006 ASP 130 HA 0.0060 -0.0055 0.0164 2007 ASP 130 HB2 0.0050 -0.0069 0.0129 2008 ASP 130 HB3 0.0052 -0.0076 0.0145 2009 SER 131 N 0.0059 -0.0043 0.0127 2010 SER 131 CA 0.0058 -0.0039 0.0125 2011 SER 131 C 0.0054 -0.0031 0.0109 2012 SER 131 O 0.0053 -0.0036 0.0097 2013 SER 131 CB 0.0060 -0.0054 0.0127 2014 SER 131 OG 0.0060 -0.0066 0.0116 2015 SER 131 H 0.0057 -0.0044 0.0118 2016 SER 131 HA 0.0058 -0.0030 0.0134 2017 SER 131 HB2 0.0059 -0.0050 0.0125 2018 SER 131 HB3 0.0063 -0.0058 0.0139 2019 SER 131 HG 0.0061 -0.0071 0.0120 2020 VAL 132 N 0.0057 -0.0029 0.0083 2021 VAL 132 CA 0.0054 -0.0025 0.0067 2022 VAL 132 C 0.0057 -0.0033 0.0064 2023 VAL 132 O 0.0057 -0.0032 0.0075 2024 VAL 132 CB 0.0047 -0.0007 0.0064 2025 VAL 132 CG1 0.0045 -0.0003 0.0047 2026 VAL 132 CG2 0.0044 0.0001 0.0068 2027 VAL 132 H 0.0056 -0.0026 0.0093 2028 VAL 132 HA 0.0055 -0.0030 0.0057 2029 VAL 132 HB 0.0046 -0.0002 0.0073 2030 VAL 132 HG11 0.0046 -0.0008 0.0044 2031 VAL 132 HG12 0.0046 -0.0009 0.0038 2032 VAL 132 HG13 0.0040 0.0009 0.0045 2033 VAL 132 HG21 0.0045 -0.0000 0.0081 2034 VAL 132 HG22 0.0039 0.0013 0.0065 2035 VAL 132 HG23 0.0046 -0.0005 0.0060 2036 ARG 133 N 0.0040 -0.0023 0.0058 2037 ARG 133 CA 0.0043 -0.0027 0.0051 2038 ARG 133 C 0.0042 -0.0021 0.0030 2039 ARG 133 O 0.0047 -0.0029 0.0019 2040 ARG 133 CB 0.0051 -0.0046 0.0053 2041 ARG 133 CG 0.0052 -0.0051 0.0072 2042 ARG 133 CD 0.0047 -0.0042 0.0076 2043 ARG 133 NE 0.0048 -0.0041 0.0060 2044 ARG 133 CZ 0.0052 -0.0049 0.0057 2045 ARG 133 NH1 0.0056 -0.0059 0.0070 2046 ARG 133 NH2 0.0053 -0.0047 0.0041 2047 ARG 133 H 0.0042 -0.0025 0.0050 2048 ARG 133 HA 0.0038 -0.0020 0.0058 2049 ARG 133 HB2 0.0055 -0.0053 0.0052 2050 ARG 133 HB3 0.0054 -0.0050 0.0043 2051 ARG 133 HG2 0.0058 -0.0065 0.0072 2052 ARG 133 HG3 0.0049 -0.0049 0.0084 2053 ARG 133 HD2 0.0040 -0.0029 0.0080 2054 ARG 133 HD3 0.0048 -0.0048 0.0088 2055 ARG 133 HE 0.0046 -0.0033 0.0048 2056 ARG 133 HH11 0.0055 -0.0060 0.0082 2057 ARG 133 HH12 0.0059 -0.0065 0.0067 2058 ARG 133 HH21 0.0057 -0.0053 0.0038 2059 ARG 133 HH22 0.0051 -0.0040 0.0030 2060 ILE 134 N 0.0035 -0.0002 -0.0006 2061 ILE 134 CA 0.0036 0.0000 -0.0018 2062 ILE 134 C 0.0041 -0.0004 -0.0022 2063 ILE 134 O 0.0042 -0.0007 -0.0017 2064 ILE 134 CB 0.0028 0.0010 -0.0020 2065 ILE 134 CG1 0.0023 0.0014 -0.0015 2066 ILE 134 CG2 0.0029 0.0013 -0.0032 2067 ILE 134 CD1 0.0017 0.0017 -0.0005 2068 ILE 134 H 0.0031 0.0000 -0.0002 2069 ILE 134 HA 0.0038 -0.0001 -0.0021 2070 ILE 134 HB 0.0025 0.0012 -0.0018 2071 ILE 134 HG12 0.0019 0.0019 -0.0021 2072 ILE 134 HG13 0.0026 0.0010 -0.0014 2073 ILE 134 HD11 0.0019 0.0012 0.0000 2074 ILE 134 HD12 0.0013 0.0020 -0.0002 2075 ILE 134 HD13 0.0013 0.0021 -0.0007 2076 ILE 134 HG21 0.0032 0.0011 -0.0036 2077 ILE 134 HG22 0.0023 0.0020 -0.0034 2078 ILE 134 HG23 0.0032 0.0011 -0.0036 2079 PHE 135 N 0.0038 -0.0002 -0.0012 2080 PHE 135 CA 0.0045 -0.0009 -0.0023 2081 PHE 135 C 0.0044 0.0001 -0.0044 2082 PHE 135 O 0.0043 0.0007 -0.0051 2083 PHE 135 CB 0.0057 -0.0029 -0.0025 2084 PHE 135 CG 0.0058 -0.0041 -0.0005 2085 PHE 135 CD1 0.0061 -0.0049 0.0005 2086 PHE 135 CD2 0.0058 -0.0044 0.0004 2087 PHE 135 CE1 0.0063 -0.0060 0.0023 2088 PHE 135 CE2 0.0060 -0.0056 0.0022 2089 PHE 135 CZ 0.0062 -0.0064 0.0031 2090 PHE 135 OXT 0.0042 0.0007 -0.0050 2091 PHE 135 H 0.0037 0.0003 -0.0020 2092 PHE 135 HA 0.0042 -0.0008 -0.0017 2093 PHE 135 HB2 0.0062 -0.0034 -0.0033 2094 PHE 135 HB3 0.0060 -0.0031 -0.0033 2095 PHE 135 HD1 0.0061 -0.0047 -0.0002 2096 PHE 135 HD2 0.0056 -0.0038 -0.0003 2097 PHE 135 HE1 0.0064 -0.0067 0.0030 2098 PHE 135 HE2 0.0060 -0.0058 0.0028 2099 PHE 135 HZ 0.0064 -0.0073 0.0045