NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616828 | 5x34 | 36050 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 H1 THR 1 3.355 -4.923 -9.286 2 H2 THR 1 H2 THR 1 2.434 -4.663 -10.723 3 H3 THR 1 H3 THR 1 2.066 -5.931 -9.686 4 HA THR 1 HA THR 1 1.821 -3.129 -8.929 5 HB THR 1 HB THR 1 -0.381 -5.076 -9.637 6 HG1 THR 1 HG1 THR 1 -0.231 -3.613 -11.688 7 HG21 THR 1 HG21 THR 1 -0.150 -2.068 -9.622 8 HG22 THR 1 HG22 THR 1 -0.970 -3.031 -8.400 9 HG23 THR 1 HG23 THR 1 -1.612 -2.961 -10.049 10 H GLN 2 H GLN 2 0.527 -3.056 -6.830 11 HA GLN 2 HA GLN 2 1.461 -5.240 -5.198 12 HB2 GLN 2 HB2 GLN 2 1.818 -2.872 -4.546 13 HB3 GLN 2 HB3 GLN 2 0.082 -2.692 -4.378 14 HG2 GLN 2 HG2 GLN 2 1.257 -3.020 -2.227 15 HG3 GLN 2 HG3 GLN 2 0.035 -4.243 -2.559 16 HE21 GLN 2 HE21 GLN 2 0.643 -6.355 -2.687 17 HE22 GLN 2 HE22 GLN 2 2.260 -6.896 -2.452 18 H SER 3 H SER 3 0.307 -6.860 -4.595 19 HA SER 3 HA SER 3 -2.322 -7.280 -5.368 20 HB2 SER 3 HB2 SER 3 -2.068 -9.316 -3.923 21 HB3 SER 3 HB3 SER 3 -0.803 -9.104 -5.135 22 HG SER 3 HG SER 3 0.304 -9.514 -3.366 23 H HIS 4 H HIS 4 -4.023 -7.918 -3.946 24 HA HIS 4 HA HIS 4 -4.916 -5.883 -2.250 25 HB2 HIS 4 HB2 HIS 4 -6.279 -7.601 -3.561 26 HB3 HIS 4 HB3 HIS 4 -5.886 -8.741 -2.288 27 HD1 HIS 4 HD1 HIS 4 -8.665 -8.700 -2.215 28 HD2 HIS 4 HD2 HIS 4 -6.643 -5.397 -0.728 29 HE1 HIS 4 HE1 HIS 4 -10.352 -7.397 -0.924 30 HE2 HIS 4 HE2 HIS 4 -9.145 -5.226 -0.457 31 H TYR 5 H TYR 5 -4.638 -5.532 -0.114 32 HA TYR 5 HA TYR 5 -4.118 -5.690 1.998 33 HB2 TYR 5 HB2 TYR 5 -3.959 -8.691 1.606 34 HB3 TYR 5 HB3 TYR 5 -3.801 -7.883 3.158 35 HD1 TYR 5 HD1 TYR 5 -6.049 -9.302 0.800 36 HD2 TYR 5 HD2 TYR 5 -5.807 -6.470 3.952 37 HE1 TYR 5 HE1 TYR 5 -8.487 -9.415 1.074 38 HE2 TYR 5 HE2 TYR 5 -8.248 -6.570 4.239 39 HH TYR 5 HH TYR 5 -10.224 -7.177 2.969 40 H GLY 6 H GLY 6 -2.079 -5.911 -0.373 41 HA2 GLY 6 HA2 GLY 6 0.281 -6.549 1.211 42 HA3 GLY 6 HA3 GLY 6 0.238 -6.190 -0.515 43 H GLN 7 H GLN 7 2.135 -4.949 0.845 44 HA GLN 7 HA GLN 7 1.203 -2.339 1.751 45 HB2 GLN 7 HB2 GLN 7 3.105 -3.414 2.935 46 HB3 GLN 7 HB3 GLN 7 4.030 -3.368 1.435 47 HG2 GLN 7 HG2 GLN 7 3.818 -0.889 1.436 48 HG3 GLN 7 HG3 GLN 7 3.020 -0.985 2.995 49 HE21 GLN 7 HE21 GLN 7 5.392 0.407 2.247 50 HE22 GLN 7 HE22 GLN 7 6.680 -0.120 3.236 51 H CYS 8 H CYS 8 0.469 -1.114 0.064 52 HA CYS 8 HA CYS 8 1.766 -0.942 -2.464 53 HB2 CYS 8 HB2 CYS 8 0.550 1.316 -2.558 54 HB3 CYS 8 HB3 CYS 8 -0.475 -0.143 -2.512 55 H GLY 9 H GLY 9 2.159 0.613 0.559 56 HA2 GLY 9 HA2 GLY 9 4.478 1.157 1.037 57 HA3 GLY 9 HA3 GLY 9 4.583 1.696 -0.619 58 H GLY 10 H GLY 10 4.844 2.737 2.235 59 HA2 GLY 10 HA2 GLY 10 3.387 5.195 1.933 60 HA3 GLY 10 HA3 GLY 10 4.289 4.630 3.324 61 H ILE 11 H ILE 11 5.423 6.636 3.290 62 HA ILE 11 HA ILE 11 7.160 7.514 1.291 63 HB ILE 11 HB ILE 11 7.463 7.661 4.308 64 HG12 ILE 11 HG12 ILE 11 6.286 9.665 2.383 65 HG13 ILE 11 HG13 ILE 11 5.339 8.599 3.412 66 HG21 ILE 11 HG21 ILE 11 8.899 9.611 3.887 67 HG22 ILE 11 HG22 ILE 11 8.768 9.323 2.146 68 HG23 ILE 11 HG23 ILE 11 9.561 8.134 3.182 69 HD11 ILE 11 HD11 ILE 11 5.465 10.837 4.341 70 HD12 ILE 11 HD12 ILE 11 7.231 10.745 4.349 71 HD13 ILE 11 HD13 ILE 11 6.286 9.672 5.381 72 H GLY 12 H GLY 12 9.011 6.656 0.529 73 HA2 GLY 12 HA2 GLY 12 11.201 5.668 0.979 74 HA3 GLY 12 HA3 GLY 12 10.408 4.714 2.234 75 H TYR 13 H TYR 13 8.154 4.314 0.243 76 HA TYR 13 HA TYR 13 9.319 1.872 -0.861 77 HB2 TYR 13 HB2 TYR 13 7.147 1.950 0.443 78 HB3 TYR 13 HB3 TYR 13 6.449 2.832 -0.891 79 HD1 TYR 13 HD1 TYR 13 6.922 -0.335 0.549 80 HD2 TYR 13 HD2 TYR 13 6.581 1.568 -3.229 81 HE1 TYR 13 HE1 TYR 13 6.202 -2.457 -0.450 82 HE2 TYR 13 HE2 TYR 13 5.865 -0.546 -4.231 83 HH TYR 13 HH TYR 13 4.716 -3.034 -2.577 84 H SER 14 H SER 14 9.897 1.766 -2.988 85 HA SER 14 HA SER 14 9.026 3.977 -4.702 86 HB2 SER 14 HB2 SER 14 11.275 3.582 -5.797 87 HB3 SER 14 HB3 SER 14 11.286 4.291 -4.181 88 HG SER 14 HG SER 14 12.057 1.749 -5.033 89 H GLY 15 H GLY 15 8.436 0.804 -4.328 90 HA2 GLY 15 HA2 GLY 15 8.753 0.076 -7.141 91 HA3 GLY 15 HA3 GLY 15 8.381 -1.018 -5.819 92 HA PRO 16 HA PRO 16 4.249 -0.820 -7.751 93 HB2 PRO 16 HB2 PRO 16 3.743 -2.835 -5.656 94 HB3 PRO 16 HB3 PRO 16 3.472 -2.935 -7.399 95 HG2 PRO 16 HG2 PRO 16 5.460 -4.282 -6.268 96 HG3 PRO 16 HG3 PRO 16 5.674 -3.488 -7.842 97 HD2 PRO 16 HD2 PRO 16 6.558 -2.583 -5.122 98 HD3 PRO 16 HD3 PRO 16 7.449 -2.583 -6.663 99 H THR 17 H THR 17 4.001 1.322 -6.803 100 HA THR 17 HA THR 17 2.810 1.444 -4.186 101 HB THR 17 HB THR 17 2.682 3.930 -4.802 102 HG1 THR 17 HG1 THR 17 4.540 4.055 -6.604 103 HG21 THR 17 HG21 THR 17 4.478 3.003 -3.387 104 HG22 THR 17 HG22 THR 17 5.086 4.286 -4.436 105 HG23 THR 17 HG23 THR 17 5.396 2.596 -4.838 106 H VAL 18 H VAL 18 1.897 0.787 -7.233 107 HA VAL 18 HA VAL 18 -0.787 1.898 -7.085 108 HB VAL 18 HB VAL 18 0.458 0.111 -9.200 109 HG11 VAL 18 HG11 VAL 18 -1.372 0.888 -10.643 110 HG12 VAL 18 HG12 VAL 18 -2.037 1.811 -9.296 111 HG13 VAL 18 HG13 VAL 18 -1.979 0.050 -9.213 112 HG21 VAL 18 HG21 VAL 18 1.673 2.223 -9.035 113 HG22 VAL 18 HG22 VAL 18 0.162 3.116 -9.207 114 HG23 VAL 18 HG23 VAL 18 0.765 2.129 -10.540 115 H CYS 19 H CYS 19 -2.454 0.696 -6.418 116 HA CYS 19 HA CYS 19 -1.928 -2.022 -5.551 117 HB2 CYS 19 HB2 CYS 19 -4.262 -0.171 -5.083 118 HB3 CYS 19 HB3 CYS 19 -4.139 -1.807 -4.444 119 H ALA 20 H ALA 20 -3.390 -3.707 -6.064 120 HA ALA 20 HA ALA 20 -4.131 -4.030 -8.699 121 HB1 ALA 20 HB1 ALA 20 -5.492 -5.900 -7.924 122 HB2 ALA 20 HB2 ALA 20 -5.375 -5.312 -6.266 123 HB3 ALA 20 HB3 ALA 20 -3.929 -5.881 -7.106 124 H SER 21 H SER 21 -6.004 -3.733 -9.834 125 HA SER 21 HA SER 21 -7.451 -1.469 -9.439 126 HB2 SER 21 HB2 SER 21 -8.280 -3.923 -10.983 127 HB3 SER 21 HB3 SER 21 -8.796 -2.260 -11.286 128 HG SER 21 HG SER 21 -6.736 -1.720 -11.849 129 H GLY 22 H GLY 22 -8.905 -0.960 -7.957 130 HA2 GLY 22 HA2 GLY 22 -11.182 -1.309 -7.204 131 HA3 GLY 22 HA3 GLY 22 -10.808 -3.021 -7.108 132 H THR 23 H THR 23 -8.082 -2.109 -5.986 133 HA THR 23 HA THR 23 -9.120 -1.939 -3.257 134 HB THR 23 HB THR 23 -7.003 -2.918 -2.487 135 HG1 THR 23 HG1 THR 23 -6.277 -2.712 -5.245 136 HG21 THR 23 HG21 THR 23 -8.742 -4.451 -3.214 137 HG22 THR 23 HG22 THR 23 -7.146 -5.107 -3.578 138 HG23 THR 23 HG23 THR 23 -8.123 -4.394 -4.864 139 H THR 24 H THR 24 -8.266 -0.451 -1.806 140 HA THR 24 HA THR 24 -7.199 1.903 -3.171 141 HB THR 24 HB THR 24 -7.992 3.128 -1.112 142 HG1 THR 24 HG1 THR 24 -8.887 0.506 -0.460 143 HG21 THR 24 HG21 THR 24 -10.358 3.069 -1.769 144 HG22 THR 24 HG22 THR 24 -10.045 1.597 -2.700 145 HG23 THR 24 HG23 THR 24 -9.276 3.118 -3.164 146 H CYS 25 H CYS 25 -5.227 2.687 -2.708 147 HA CYS 25 HA CYS 25 -3.634 1.330 -0.776 148 HB2 CYS 25 HB2 CYS 25 -2.581 2.134 -2.845 149 HB3 CYS 25 HB3 CYS 25 -3.038 3.786 -2.460 150 H GLN 26 H GLN 26 -4.035 1.710 1.254 151 HA GLN 26 HA GLN 26 -4.741 4.419 2.087 152 HB2 GLN 26 HB2 GLN 26 -5.192 1.757 3.435 153 HB3 GLN 26 HB3 GLN 26 -5.626 3.309 4.131 154 HG2 GLN 26 HG2 GLN 26 -7.200 3.726 2.353 155 HG3 GLN 26 HG3 GLN 26 -6.710 2.249 1.529 156 HE21 GLN 26 HE21 GLN 26 -8.799 1.459 1.563 157 HE22 GLN 26 HE22 GLN 26 -9.538 0.874 3.013 158 H VAL 27 H VAL 27 -3.127 5.520 2.875 159 HA VAL 27 HA VAL 27 -0.752 4.238 3.846 160 HB VAL 27 HB VAL 27 -1.446 7.212 3.881 161 HG11 VAL 27 HG11 VAL 27 0.358 6.599 5.375 162 HG12 VAL 27 HG12 VAL 27 0.907 7.615 4.039 163 HG13 VAL 27 HG13 VAL 27 1.230 5.878 4.024 164 HG21 VAL 27 HG21 VAL 27 -0.143 7.390 1.820 165 HG22 VAL 27 HG22 VAL 27 -1.563 6.367 1.607 166 HG23 VAL 27 HG23 VAL 27 0.034 5.635 1.786 167 H LEU 28 H LEU 28 -1.117 3.211 5.657 168 HA LEU 28 HA LEU 28 -2.896 4.139 7.725 169 HB2 LEU 28 HB2 LEU 28 -0.953 1.823 7.732 170 HB3 LEU 28 HB3 LEU 28 -2.251 2.085 8.877 171 HG LEU 28 HG LEU 28 -2.618 1.471 5.938 172 HD11 LEU 28 HD11 LEU 28 -1.786 -0.417 7.174 173 HD12 LEU 28 HD12 LEU 28 -3.475 -0.669 6.728 174 HD13 LEU 28 HD13 LEU 28 -3.050 -0.223 8.385 175 HD21 LEU 28 HD21 LEU 28 -4.588 1.738 8.169 176 HD22 LEU 28 HD22 LEU 28 -4.960 1.205 6.525 177 HD23 LEU 28 HD23 LEU 28 -4.401 2.864 6.816 178 H ASN 29 H ASN 29 0.511 3.476 7.411 179 HA ASN 29 HA ASN 29 1.098 5.398 9.567 180 HB2 ASN 29 HB2 ASN 29 2.776 3.016 8.632 181 HB3 ASN 29 HB3 ASN 29 3.221 4.143 9.898 182 HD21 ASN 29 HD21 ASN 29 2.938 1.241 10.026 183 HD22 ASN 29 HD22 ASN 29 1.760 0.951 11.240 184 HA PRO 30 HA PRO 30 2.915 7.739 6.344 185 HB2 PRO 30 HB2 PRO 30 5.585 7.805 7.507 186 HB3 PRO 30 HB3 PRO 30 4.504 9.153 7.162 187 HG2 PRO 30 HG2 PRO 30 4.947 8.392 9.702 188 HG3 PRO 30 HG3 PRO 30 3.347 8.941 9.173 189 HD2 PRO 30 HD2 PRO 30 4.342 6.161 9.638 190 HD3 PRO 30 HD3 PRO 30 2.764 6.859 10.039 191 H TYR 31 H TYR 31 4.719 4.992 7.379 192 HA TYR 31 HA TYR 31 6.007 4.860 4.753 193 HB2 TYR 31 HB2 TYR 31 6.698 3.318 7.249 194 HB3 TYR 31 HB3 TYR 31 7.635 3.398 5.766 195 HD1 TYR 31 HD1 TYR 31 8.834 5.498 5.173 196 HD2 TYR 31 HD2 TYR 31 6.802 5.084 8.888 197 HE1 TYR 31 HE1 TYR 31 10.077 7.404 6.060 198 HE2 TYR 31 HE2 TYR 31 8.051 6.990 9.788 199 HH TYR 31 HH TYR 31 9.919 9.026 7.790 200 H TYR 32 H TYR 32 3.671 3.301 6.827 201 HA TYR 32 HA TYR 32 3.648 0.962 5.072 202 HB2 TYR 32 HB2 TYR 32 3.836 0.382 7.455 203 HB3 TYR 32 HB3 TYR 32 2.327 1.226 7.783 204 HD1 TYR 32 HD1 TYR 32 3.641 -1.472 5.559 205 HD2 TYR 32 HD2 TYR 32 0.327 -0.065 7.864 206 HE1 TYR 32 HE1 TYR 32 2.419 -3.536 5.071 207 HE2 TYR 32 HE2 TYR 32 -0.871 -2.146 7.372 208 HH TYR 32 HH TYR 32 -0.921 -3.944 5.854 209 H SER 33 H SER 33 2.317 1.063 3.518 210 HA SER 33 HA SER 33 -0.361 2.145 3.977 211 HB2 SER 33 HB2 SER 33 1.280 2.263 1.439 212 HB3 SER 33 HB3 SER 33 -0.315 2.993 1.699 213 HG SER 33 HG SER 33 1.536 4.405 1.891 214 H GLN 34 H GLN 34 -1.950 0.752 3.292 215 HA GLN 34 HA GLN 34 -1.001 -1.754 2.086 216 HB2 GLN 34 HB2 GLN 34 -1.565 -1.959 4.513 217 HB3 GLN 34 HB3 GLN 34 -3.203 -1.448 4.136 218 HG2 GLN 34 HG2 GLN 34 -3.535 -3.412 2.772 219 HG3 GLN 34 HG3 GLN 34 -1.878 -3.931 3.072 220 HE21 GLN 34 HE21 GLN 34 -2.459 -5.839 4.052 221 HE22 GLN 34 HE22 GLN 34 -3.232 -5.885 5.591 222 H CYS 35 H CYS 35 -2.443 -2.760 0.671 223 HA CYS 35 HA CYS 35 -4.332 -0.951 -0.620 224 HB2 CYS 35 HB2 CYS 35 -3.406 -3.711 -1.434 225 HB3 CYS 35 HB3 CYS 35 -4.364 -2.610 -2.417 226 H LEU 36 H LEU 36 -6.259 -0.965 0.329 227 HA LEU 36 HA LEU 36 -7.381 -3.534 1.148 228 HB2 LEU 36 HB2 LEU 36 -8.103 -0.757 2.101 229 HB3 LEU 36 HB3 LEU 36 -9.006 -2.194 2.506 230 HG LEU 36 HG LEU 36 -7.721 -1.712 4.392 231 HD11 LEU 36 HD11 LEU 36 -6.251 -3.862 2.945 232 HD12 LEU 36 HD12 LEU 36 -7.717 -4.028 3.912 233 HD13 LEU 36 HD13 LEU 36 -6.201 -3.552 4.679 234 HD21 LEU 36 HD21 LEU 36 -6.184 -0.110 3.442 235 HD22 LEU 36 HD22 LEU 36 -5.285 -1.410 2.655 236 HD23 LEU 36 HD23 LEU 36 -5.331 -1.301 4.419 Start of MODEL 2 1 H1 THR 1 H1 THR 1 1.967 -4.190 -10.705 2 H2 THR 1 H2 THR 1 1.213 -5.494 -9.940 3 H3 THR 1 H3 THR 1 2.720 -4.982 -9.408 4 HA THR 1 HA THR 1 1.686 -2.877 -8.738 5 HB THR 1 HB THR 1 -0.809 -3.041 -8.532 6 HG1 THR 1 HG1 THR 1 -1.532 -4.487 -10.501 7 HG21 THR 1 HG21 THR 1 -1.228 -2.278 -10.844 8 HG22 THR 1 HG22 THR 1 0.334 -2.940 -11.326 9 HG23 THR 1 HG23 THR 1 0.265 -1.595 -10.193 10 H GLN 2 H GLN 2 0.358 -2.890 -6.565 11 HA GLN 2 HA GLN 2 1.295 -5.256 -5.156 12 HB2 GLN 2 HB2 GLN 2 1.673 -2.843 -4.362 13 HB3 GLN 2 HB3 GLN 2 -0.033 -2.868 -3.912 14 HG2 GLN 2 HG2 GLN 2 1.305 -3.462 -2.007 15 HG3 GLN 2 HG3 GLN 2 0.370 -4.862 -2.547 16 HE21 GLN 2 HE21 GLN 2 1.717 -6.449 -1.830 17 HE22 GLN 2 HE22 GLN 2 3.323 -6.673 -2.420 18 H SER 3 H SER 3 0.005 -6.824 -4.525 19 HA SER 3 HA SER 3 -2.717 -6.805 -5.329 20 HB2 SER 3 HB2 SER 3 -1.278 -8.835 -5.400 21 HB3 SER 3 HB3 SER 3 -1.267 -8.865 -3.636 22 HG SER 3 HG SER 3 -2.872 -10.102 -5.097 23 H HIS 4 H HIS 4 -4.203 -7.881 -3.633 24 HA HIS 4 HA HIS 4 -4.988 -5.767 -1.896 25 HB2 HIS 4 HB2 HIS 4 -6.459 -7.520 -3.071 26 HB3 HIS 4 HB3 HIS 4 -6.004 -8.602 -1.764 27 HD1 HIS 4 HD1 HIS 4 -8.805 -8.432 -1.657 28 HD2 HIS 4 HD2 HIS 4 -6.595 -5.226 -0.244 29 HE1 HIS 4 HE1 HIS 4 -10.401 -7.066 -0.298 30 HE2 HIS 4 HE2 HIS 4 -9.088 -4.918 -0.043 31 H TYR 5 H TYR 5 -4.515 -5.410 0.192 32 HA TYR 5 HA TYR 5 -3.841 -5.572 2.254 33 HB2 TYR 5 HB2 TYR 5 -3.918 -8.557 1.829 34 HB3 TYR 5 HB3 TYR 5 -3.373 -7.847 3.341 35 HD1 TYR 5 HD1 TYR 5 -4.967 -6.536 4.737 36 HD2 TYR 5 HD2 TYR 5 -6.248 -8.660 1.280 37 HE1 TYR 5 HE1 TYR 5 -7.280 -6.417 5.534 38 HE2 TYR 5 HE2 TYR 5 -8.571 -8.529 2.060 39 HH TYR 5 HH TYR 5 -9.543 -6.500 4.616 40 H GLY 6 H GLY 6 -1.970 -5.799 -0.218 41 HA2 GLY 6 HA2 GLY 6 0.486 -6.319 1.282 42 HA3 GLY 6 HA3 GLY 6 0.367 -6.025 -0.451 43 H GLN 7 H GLN 7 2.261 -4.651 0.982 44 HA GLN 7 HA GLN 7 1.232 -2.067 1.680 45 HB2 GLN 7 HB2 GLN 7 3.146 -2.883 2.914 46 HB3 GLN 7 HB3 GLN 7 4.092 -3.051 1.433 47 HG2 GLN 7 HG2 GLN 7 3.990 -0.617 1.127 48 HG3 GLN 7 HG3 GLN 7 3.058 -0.472 2.611 49 HE21 GLN 7 HE21 GLN 7 5.600 0.692 1.883 50 HE22 GLN 7 HE22 GLN 7 6.726 0.229 3.082 51 H CYS 8 H CYS 8 0.620 -0.724 0.188 52 HA CYS 8 HA CYS 8 1.489 -0.835 -2.533 53 HB2 CYS 8 HB2 CYS 8 0.388 1.513 -2.441 54 HB3 CYS 8 HB3 CYS 8 -0.653 0.051 -2.434 55 H GLY 9 H GLY 9 1.905 1.632 -0.039 56 HA2 GLY 9 HA2 GLY 9 4.534 2.096 -0.623 57 HA3 GLY 9 HA3 GLY 9 3.606 3.073 -1.753 58 H GLY 10 H GLY 10 4.914 2.831 1.243 59 HA2 GLY 10 HA2 GLY 10 3.519 5.224 2.063 60 HA3 GLY 10 HA3 GLY 10 4.436 4.162 3.135 61 H ILE 11 H ILE 11 5.785 6.069 3.684 62 HA ILE 11 HA ILE 11 7.589 7.213 1.827 63 HB ILE 11 HB ILE 11 7.943 6.778 4.810 64 HG12 ILE 11 HG12 ILE 11 6.984 9.245 3.343 65 HG13 ILE 11 HG13 ILE 11 5.949 8.136 4.242 66 HG21 ILE 11 HG21 ILE 11 10.076 7.198 3.754 67 HG22 ILE 11 HG22 ILE 11 9.592 8.604 4.704 68 HG23 ILE 11 HG23 ILE 11 9.430 8.626 2.949 69 HD11 ILE 11 HD11 ILE 11 6.460 10.136 5.536 70 HD12 ILE 11 HD12 ILE 11 8.181 9.791 5.383 71 HD13 ILE 11 HD13 ILE 11 7.141 8.695 6.289 72 H GLY 12 H GLY 12 9.270 6.318 0.835 73 HA2 GLY 12 HA2 GLY 12 11.383 5.220 0.912 74 HA3 GLY 12 HA3 GLY 12 10.772 4.211 2.213 75 H TYR 13 H TYR 13 8.275 4.092 0.324 76 HA TYR 13 HA TYR 13 9.215 1.617 -0.907 77 HB2 TYR 13 HB2 TYR 13 7.032 1.823 0.429 78 HB3 TYR 13 HB3 TYR 13 6.412 2.726 -0.946 79 HD1 TYR 13 HD1 TYR 13 6.762 -0.475 0.499 80 HD2 TYR 13 HD2 TYR 13 6.558 1.477 -3.263 81 HE1 TYR 13 HE1 TYR 13 6.117 -2.592 -0.557 82 HE2 TYR 13 HE2 TYR 13 5.906 -0.629 -4.323 83 HH TYR 13 HH TYR 13 4.761 -3.189 -2.759 84 H SER 14 H SER 14 10.063 1.806 -2.888 85 HA SER 14 HA SER 14 9.152 4.003 -4.603 86 HB2 SER 14 HB2 SER 14 11.411 3.628 -5.676 87 HB3 SER 14 HB3 SER 14 11.431 4.246 -4.021 88 HG SER 14 HG SER 14 12.877 2.594 -4.086 89 H GLY 15 H GLY 15 8.447 0.891 -4.284 90 HA2 GLY 15 HA2 GLY 15 8.829 0.124 -7.078 91 HA3 GLY 15 HA3 GLY 15 8.345 -0.940 -5.763 92 HA PRO 16 HA PRO 16 4.430 -0.489 -8.040 93 HB2 PRO 16 HB2 PRO 16 3.665 -2.684 -6.217 94 HB3 PRO 16 HB3 PRO 16 3.577 -2.604 -7.978 95 HG2 PRO 16 HG2 PRO 16 5.383 -4.104 -6.739 96 HG3 PRO 16 HG3 PRO 16 5.735 -3.243 -8.253 97 HD2 PRO 16 HD2 PRO 16 6.516 -2.546 -5.439 98 HD3 PRO 16 HD3 PRO 16 7.468 -2.435 -6.936 99 H THR 17 H THR 17 4.035 1.531 -6.941 100 HA THR 17 HA THR 17 2.825 1.394 -4.358 101 HB THR 17 HB THR 17 2.503 3.887 -4.741 102 HG1 THR 17 HG1 THR 17 4.344 4.094 -6.710 103 HG21 THR 17 HG21 THR 17 4.867 4.390 -4.394 104 HG22 THR 17 HG22 THR 17 5.304 2.821 -5.073 105 HG23 THR 17 HG23 THR 17 4.440 2.895 -3.542 106 H VAL 18 H VAL 18 1.854 1.084 -7.524 107 HA VAL 18 HA VAL 18 -0.873 1.955 -7.169 108 HB VAL 18 HB VAL 18 0.371 0.330 -9.403 109 HG11 VAL 18 HG11 VAL 18 -2.213 1.891 -9.325 110 HG12 VAL 18 HG12 VAL 18 -2.062 0.137 -9.293 111 HG13 VAL 18 HG13 VAL 18 -1.554 1.038 -10.724 112 HG21 VAL 18 HG21 VAL 18 0.473 2.446 -10.657 113 HG22 VAL 18 HG22 VAL 18 1.467 2.501 -9.198 114 HG23 VAL 18 HG23 VAL 18 -0.101 3.306 -9.229 115 H CYS 19 H CYS 19 -2.496 0.675 -6.489 116 HA CYS 19 HA CYS 19 -1.840 -2.005 -5.657 117 HB2 CYS 19 HB2 CYS 19 -4.313 -0.327 -5.216 118 HB3 CYS 19 HB3 CYS 19 -4.030 -1.918 -4.534 119 H ALA 20 H ALA 20 -3.531 -3.663 -5.958 120 HA ALA 20 HA ALA 20 -4.048 -4.280 -8.612 121 HB1 ALA 20 HB1 ALA 20 -5.490 -6.046 -7.701 122 HB2 ALA 20 HB2 ALA 20 -5.413 -5.278 -6.111 123 HB3 ALA 20 HB3 ALA 20 -3.954 -5.941 -6.844 124 H SER 21 H SER 21 -6.074 -4.437 -9.722 125 HA SER 21 HA SER 21 -7.607 -2.087 -9.649 126 HB2 SER 21 HB2 SER 21 -8.280 -4.724 -10.956 127 HB3 SER 21 HB3 SER 21 -8.877 -3.129 -11.418 128 HG SER 21 HG SER 21 -6.339 -2.807 -11.502 129 H GLY 22 H GLY 22 -9.012 -1.613 -8.082 130 HA2 GLY 22 HA2 GLY 22 -11.197 -2.032 -7.164 131 HA3 GLY 22 HA3 GLY 22 -10.776 -3.739 -7.084 132 H THR 23 H THR 23 -8.106 -1.933 -6.185 133 HA THR 23 HA THR 23 -8.952 -1.964 -3.385 134 HB THR 23 HB THR 23 -6.618 -2.596 -2.726 135 HG1 THR 23 HG1 THR 23 -6.316 -2.708 -5.531 136 HG21 THR 23 HG21 THR 23 -6.783 -4.972 -3.317 137 HG22 THR 23 HG22 THR 23 -8.004 -4.575 -4.526 138 HG23 THR 23 HG23 THR 23 -8.337 -4.314 -2.811 139 H THR 24 H THR 24 -7.945 -0.438 -2.027 140 HA THR 24 HA THR 24 -6.941 1.900 -3.492 141 HB THR 24 HB THR 24 -7.878 3.181 -1.511 142 HG1 THR 24 HG1 THR 24 -8.751 0.573 -0.872 143 HG21 THR 24 HG21 THR 24 -9.814 1.680 -3.276 144 HG22 THR 24 HG22 THR 24 -8.975 3.180 -3.683 145 HG23 THR 24 HG23 THR 24 -10.179 3.166 -2.393 146 H CYS 25 H CYS 25 -5.109 2.910 -2.718 147 HA CYS 25 HA CYS 25 -3.611 1.447 -0.747 148 HB2 CYS 25 HB2 CYS 25 -2.389 2.275 -2.708 149 HB3 CYS 25 HB3 CYS 25 -2.870 3.927 -2.335 150 H GLN 26 H GLN 26 -4.041 1.806 1.273 151 HA GLN 26 HA GLN 26 -4.754 4.517 2.086 152 HB2 GLN 26 HB2 GLN 26 -5.409 1.870 3.392 153 HB3 GLN 26 HB3 GLN 26 -5.888 3.447 4.010 154 HG2 GLN 26 HG2 GLN 26 -7.233 3.858 2.037 155 HG3 GLN 26 HG3 GLN 26 -6.697 2.343 1.329 156 HE21 GLN 26 HE21 GLN 26 -8.768 1.623 1.103 157 HE22 GLN 26 HE22 GLN 26 -9.738 1.100 2.421 158 H VAL 27 H VAL 27 -3.188 5.534 3.032 159 HA VAL 27 HA VAL 27 -0.864 4.155 3.994 160 HB VAL 27 HB VAL 27 -1.406 7.167 4.047 161 HG11 VAL 27 HG11 VAL 27 1.119 5.636 4.289 162 HG12 VAL 27 HG12 VAL 27 0.332 6.620 5.526 163 HG13 VAL 27 HG13 VAL 27 1.002 7.383 4.079 164 HG21 VAL 27 HG21 VAL 27 -0.126 7.299 1.980 165 HG22 VAL 27 HG22 VAL 27 -1.585 6.328 1.759 166 HG23 VAL 27 HG23 VAL 27 -0.016 5.540 1.927 167 H LEU 28 H LEU 28 -1.175 3.144 5.780 168 HA LEU 28 HA LEU 28 -2.977 3.981 7.888 169 HB2 LEU 28 HB2 LEU 28 -1.000 1.698 7.832 170 HB3 LEU 28 HB3 LEU 28 -2.338 1.883 8.944 171 HG LEU 28 HG LEU 28 -2.617 1.422 5.968 172 HD11 LEU 28 HD11 LEU 28 -3.428 -0.788 6.612 173 HD12 LEU 28 HD12 LEU 28 -3.004 -0.447 8.292 174 HD13 LEU 28 HD13 LEU 28 -1.746 -0.539 7.064 175 HD21 LEU 28 HD21 LEU 28 -4.968 1.041 6.481 176 HD22 LEU 28 HD22 LEU 28 -4.470 2.687 6.886 177 HD23 LEU 28 HD23 LEU 28 -4.667 1.480 8.164 178 H ASN 29 H ASN 29 0.435 3.553 7.428 179 HA ASN 29 HA ASN 29 1.012 5.383 9.647 180 HB2 ASN 29 HB2 ASN 29 2.657 2.949 8.791 181 HB3 ASN 29 HB3 ASN 29 3.156 4.155 9.968 182 HD21 ASN 29 HD21 ASN 29 1.174 1.405 9.367 183 HD22 ASN 29 HD22 ASN 29 0.734 1.096 10.993 184 HA PRO 30 HA PRO 30 2.940 7.679 6.441 185 HB2 PRO 30 HB2 PRO 30 5.574 7.594 7.771 186 HB3 PRO 30 HB3 PRO 30 4.620 8.997 7.286 187 HG2 PRO 30 HG2 PRO 30 4.811 8.319 9.865 188 HG3 PRO 30 HG3 PRO 30 3.293 8.934 9.190 189 HD2 PRO 30 HD2 PRO 30 4.049 6.113 9.868 190 HD3 PRO 30 HD3 PRO 30 2.493 6.929 10.059 191 H TYR 31 H TYR 31 4.713 4.908 7.584 192 HA TYR 31 HA TYR 31 6.067 4.653 4.979 193 HB2 TYR 31 HB2 TYR 31 6.581 3.135 7.541 194 HB3 TYR 31 HB3 TYR 31 7.554 3.084 6.078 195 HD1 TYR 31 HD1 TYR 31 6.529 5.214 8.921 196 HD2 TYR 31 HD2 TYR 31 9.199 4.752 5.646 197 HE1 TYR 31 HE1 TYR 31 7.868 7.063 9.769 198 HE2 TYR 31 HE2 TYR 31 10.553 6.617 6.493 199 HH TYR 31 HH TYR 31 10.085 7.888 9.616 200 H TYR 32 H TYR 32 3.611 3.183 7.003 201 HA TYR 32 HA TYR 32 3.637 0.872 5.213 202 HB2 TYR 32 HB2 TYR 32 3.780 0.401 7.724 203 HB3 TYR 32 HB3 TYR 32 2.138 1.011 7.827 204 HD1 TYR 32 HD1 TYR 32 0.246 -0.347 7.160 205 HD2 TYR 32 HD2 TYR 32 4.225 -1.651 6.364 206 HE1 TYR 32 HE1 TYR 32 -0.602 -2.578 6.542 207 HE2 TYR 32 HE2 TYR 32 3.382 -3.869 5.744 208 HH TYR 32 HH TYR 32 1.459 -5.230 6.238 209 H SER 33 H SER 33 2.294 1.051 3.634 210 HA SER 33 HA SER 33 -0.353 2.197 4.130 211 HB2 SER 33 HB2 SER 33 1.220 2.262 1.555 212 HB3 SER 33 HB3 SER 33 -0.290 3.105 1.906 213 HG SER 33 HG SER 33 1.666 4.368 2.010 214 H GLN 34 H GLN 34 -1.984 0.862 3.370 215 HA GLN 34 HA GLN 34 -0.995 -1.630 2.173 216 HB2 GLN 34 HB2 GLN 34 -1.590 -1.784 4.599 217 HB3 GLN 34 HB3 GLN 34 -3.238 -1.368 4.168 218 HG2 GLN 34 HG2 GLN 34 -3.430 -3.380 2.850 219 HG3 GLN 34 HG3 GLN 34 -1.748 -3.797 3.197 220 HE21 GLN 34 HE21 GLN 34 -2.210 -5.698 4.224 221 HE22 GLN 34 HE22 GLN 34 -2.993 -5.785 5.748 222 H CYS 35 H CYS 35 -2.292 -2.586 0.667 223 HA CYS 35 HA CYS 35 -4.221 -0.856 -0.644 224 HB2 CYS 35 HB2 CYS 35 -3.208 -3.606 -1.404 225 HB3 CYS 35 HB3 CYS 35 -4.252 -2.597 -2.397 226 H LEU 36 H LEU 36 -6.154 -0.865 0.245 227 HA LEU 36 HA LEU 36 -7.284 -3.443 1.008 228 HB2 LEU 36 HB2 LEU 36 -8.038 -0.702 2.050 229 HB3 LEU 36 HB3 LEU 36 -8.908 -2.170 2.413 230 HG LEU 36 HG LEU 36 -7.679 -1.792 4.312 231 HD11 LEU 36 HD11 LEU 36 -7.429 -4.068 3.691 232 HD12 LEU 36 HD12 LEU 36 -5.975 -3.503 4.505 233 HD13 LEU 36 HD13 LEU 36 -5.983 -3.692 2.758 234 HD21 LEU 36 HD21 LEU 36 -6.300 0.017 3.531 235 HD22 LEU 36 HD22 LEU 36 -5.262 -1.117 2.658 236 HD23 LEU 36 HD23 LEU 36 -5.335 -1.156 4.421 Start of MODEL 3 1 H1 THR 1 H1 THR 1 2.157 -5.955 -9.641 2 H2 THR 1 H2 THR 1 3.438 -4.907 -9.249 3 H3 THR 1 H3 THR 1 2.487 -4.665 -10.660 4 HA THR 1 HA THR 1 1.847 -3.143 -8.938 5 HB THR 1 HB THR 1 -0.287 -5.180 -9.538 6 HG1 THR 1 HG1 THR 1 -0.234 -4.237 -11.701 7 HG21 THR 1 HG21 THR 1 -0.117 -2.179 -9.681 8 HG22 THR 1 HG22 THR 1 -0.926 -3.103 -8.415 9 HG23 THR 1 HG23 THR 1 -1.549 -3.133 -10.075 10 H GLN 2 H GLN 2 0.506 -3.042 -6.822 11 HA GLN 2 HA GLN 2 1.410 -5.208 -5.125 12 HB2 GLN 2 HB2 GLN 2 1.910 -2.832 -4.555 13 HB3 GLN 2 HB3 GLN 2 0.190 -2.564 -4.364 14 HG2 GLN 2 HG2 GLN 2 1.347 -2.885 -2.227 15 HG3 GLN 2 HG3 GLN 2 0.092 -4.084 -2.515 16 HE21 GLN 2 HE21 GLN 2 0.648 -6.201 -2.679 17 HE22 GLN 2 HE22 GLN 2 2.253 -6.794 -2.405 18 H SER 3 H SER 3 0.111 -6.765 -4.656 19 HA SER 3 HA SER 3 -2.603 -6.846 -5.348 20 HB2 SER 3 HB2 SER 3 -0.944 -8.670 -3.630 21 HB3 SER 3 HB3 SER 3 -2.502 -9.081 -4.355 22 HG SER 3 HG SER 3 -0.003 -8.989 -5.453 23 H HIS 4 H HIS 4 -4.270 -7.660 -3.748 24 HA HIS 4 HA HIS 4 -4.911 -5.658 -1.903 25 HB2 HIS 4 HB2 HIS 4 -6.482 -7.303 -3.104 26 HB3 HIS 4 HB3 HIS 4 -6.020 -8.477 -1.883 27 HD1 HIS 4 HD1 HIS 4 -8.703 -8.414 -1.398 28 HD2 HIS 4 HD2 HIS 4 -6.586 -5.005 -0.385 29 HE1 HIS 4 HE1 HIS 4 -10.252 -7.056 0.025 30 HE2 HIS 4 HE2 HIS 4 -9.070 -4.833 0.062 31 H TYR 5 H TYR 5 -4.487 -5.401 0.195 32 HA TYR 5 HA TYR 5 -3.792 -5.632 2.256 33 HB2 TYR 5 HB2 TYR 5 -3.570 -8.615 1.750 34 HB3 TYR 5 HB3 TYR 5 -3.363 -7.847 3.322 35 HD1 TYR 5 HD1 TYR 5 -5.652 -9.465 1.235 36 HD2 TYR 5 HD2 TYR 5 -5.355 -6.257 4.004 37 HE1 TYR 5 HE1 TYR 5 -8.084 -9.527 1.568 38 HE2 TYR 5 HE2 TYR 5 -7.776 -6.315 4.344 39 HH TYR 5 HH TYR 5 -9.707 -8.856 3.241 40 H GLY 6 H GLY 6 -2.014 -5.725 -0.288 41 HA2 GLY 6 HA2 GLY 6 0.505 -6.265 1.047 42 HA3 GLY 6 HA3 GLY 6 0.281 -5.859 -0.655 43 H GLN 7 H GLN 7 2.217 -4.578 0.669 44 HA GLN 7 HA GLN 7 1.220 -2.056 1.680 45 HB2 GLN 7 HB2 GLN 7 3.150 -3.220 2.716 46 HB3 GLN 7 HB3 GLN 7 4.035 -3.019 1.210 47 HG2 GLN 7 HG2 GLN 7 3.823 -0.561 1.483 48 HG3 GLN 7 HG3 GLN 7 3.063 -0.843 3.048 49 HE21 GLN 7 HE21 GLN 7 5.483 0.565 2.450 50 HE22 GLN 7 HE22 GLN 7 6.729 -0.226 3.330 51 H CYS 8 H CYS 8 0.446 -0.769 0.034 52 HA CYS 8 HA CYS 8 1.448 -0.730 -2.606 53 HB2 CYS 8 HB2 CYS 8 0.425 1.659 -2.509 54 HB3 CYS 8 HB3 CYS 8 -0.672 0.241 -2.558 55 H GLY 9 H GLY 9 2.041 1.440 0.071 56 HA2 GLY 9 HA2 GLY 9 4.633 1.746 -0.176 57 HA3 GLY 9 HA3 GLY 9 4.073 2.672 -1.560 58 H GLY 10 H GLY 10 4.998 2.787 1.513 59 HA2 GLY 10 HA2 GLY 10 3.616 5.290 2.022 60 HA3 GLY 10 HA3 GLY 10 4.453 4.293 3.209 61 H ILE 11 H ILE 11 5.808 6.227 3.687 62 HA ILE 11 HA ILE 11 7.687 7.209 1.812 63 HB ILE 11 HB ILE 11 7.880 7.069 4.843 64 HG12 ILE 11 HG12 ILE 11 7.029 9.359 3.052 65 HG13 ILE 11 HG13 ILE 11 5.933 8.355 3.992 66 HG21 ILE 11 HG21 ILE 11 9.560 8.855 4.654 67 HG22 ILE 11 HG22 ILE 11 9.485 8.736 2.898 68 HG23 ILE 11 HG23 ILE 11 10.086 7.376 3.849 69 HD11 ILE 11 HD11 ILE 11 8.060 10.172 5.099 70 HD12 ILE 11 HD12 ILE 11 6.967 9.171 6.053 71 HD13 ILE 11 HD13 ILE 11 6.326 10.493 5.074 72 H GLY 12 H GLY 12 9.366 6.159 0.908 73 HA2 GLY 12 HA2 GLY 12 11.445 5.022 1.168 74 HA3 GLY 12 HA3 GLY 12 10.736 4.099 2.485 75 H TYR 13 H TYR 13 8.336 4.091 0.406 76 HA TYR 13 HA TYR 13 9.322 1.674 -0.964 77 HB2 TYR 13 HB2 TYR 13 7.488 1.402 0.787 78 HB3 TYR 13 HB3 TYR 13 6.472 2.379 -0.253 79 HD1 TYR 13 HD1 TYR 13 7.165 -0.876 0.705 80 HD2 TYR 13 HD2 TYR 13 6.393 1.374 -2.818 81 HE1 TYR 13 HE1 TYR 13 6.411 -2.924 -0.434 82 HE2 TYR 13 HE2 TYR 13 5.636 -0.659 -3.958 83 HH TYR 13 HH TYR 13 4.774 -3.394 -2.424 84 H SER 14 H SER 14 9.742 2.226 -3.054 85 HA SER 14 HA SER 14 7.890 4.077 -4.377 86 HB2 SER 14 HB2 SER 14 9.925 4.626 -5.795 87 HB3 SER 14 HB3 SER 14 9.981 5.165 -4.114 88 HG SER 14 HG SER 14 11.547 3.379 -5.435 89 H GLY 15 H GLY 15 8.162 0.995 -4.191 90 HA2 GLY 15 HA2 GLY 15 8.688 0.183 -6.931 91 HA3 GLY 15 HA3 GLY 15 8.179 -0.844 -5.600 92 HA PRO 16 HA PRO 16 4.275 -0.756 -7.954 93 HB2 PRO 16 HB2 PRO 16 3.511 -2.761 -5.946 94 HB3 PRO 16 HB3 PRO 16 3.549 -2.903 -7.704 95 HG2 PRO 16 HG2 PRO 16 5.315 -4.185 -6.166 96 HG3 PRO 16 HG3 PRO 16 5.756 -3.512 -7.744 97 HD2 PRO 16 HD2 PRO 16 6.283 -2.415 -5.011 98 HD3 PRO 16 HD3 PRO 16 7.353 -2.495 -6.432 99 H THR 17 H THR 17 4.090 1.405 -6.924 100 HA THR 17 HA THR 17 2.684 1.551 -4.434 101 HB THR 17 HB THR 17 2.611 4.026 -5.032 102 HG1 THR 17 HG1 THR 17 4.512 4.112 -6.802 103 HG21 THR 17 HG21 THR 17 5.013 4.339 -4.608 104 HG22 THR 17 HG22 THR 17 5.304 2.652 -5.035 105 HG23 THR 17 HG23 THR 17 4.359 3.044 -3.602 106 H VAL 18 H VAL 18 1.778 0.619 -7.301 107 HA VAL 18 HA VAL 18 -0.879 1.840 -7.256 108 HB VAL 18 HB VAL 18 0.272 -0.029 -9.336 109 HG11 VAL 18 HG11 VAL 18 -2.148 0.102 -9.333 110 HG12 VAL 18 HG12 VAL 18 -1.502 0.884 -10.774 111 HG13 VAL 18 HG13 VAL 18 -2.074 1.861 -9.422 112 HG21 VAL 18 HG21 VAL 18 0.248 2.988 -9.398 113 HG22 VAL 18 HG22 VAL 18 0.723 1.931 -10.731 114 HG23 VAL 18 HG23 VAL 18 1.676 1.962 -9.246 115 H CYS 19 H CYS 19 -2.534 0.623 -6.580 116 HA CYS 19 HA CYS 19 -1.900 -2.013 -5.590 117 HB2 CYS 19 HB2 CYS 19 -4.341 -0.276 -5.237 118 HB3 CYS 19 HB3 CYS 19 -4.123 -1.865 -4.515 119 H ALA 20 H ALA 20 -3.351 -3.734 -5.924 120 HA ALA 20 HA ALA 20 -3.956 -4.350 -8.545 121 HB1 ALA 20 HB1 ALA 20 -3.705 -6.040 -6.835 122 HB2 ALA 20 HB2 ALA 20 -5.289 -6.196 -7.607 123 HB3 ALA 20 HB3 ALA 20 -5.150 -5.458 -6.009 124 H SER 21 H SER 21 -5.852 -4.371 -9.712 125 HA SER 21 HA SER 21 -7.454 -2.159 -9.525 126 HB2 SER 21 HB2 SER 21 -8.804 -3.484 -11.260 127 HB3 SER 21 HB3 SER 21 -7.106 -3.149 -11.617 128 HG SER 21 HG SER 21 -8.372 -5.514 -10.930 129 H GLY 22 H GLY 22 -9.033 -1.703 -8.183 130 HA2 GLY 22 HA2 GLY 22 -11.278 -2.274 -7.389 131 HA3 GLY 22 HA3 GLY 22 -10.690 -3.907 -7.162 132 H THR 23 H THR 23 -8.195 -2.094 -6.121 133 HA THR 23 HA THR 23 -9.312 -1.975 -3.405 134 HB THR 23 HB THR 23 -7.093 -2.620 -2.508 135 HG1 THR 23 HG1 THR 23 -6.414 -2.829 -5.284 136 HG21 THR 23 HG21 THR 23 -8.137 -4.538 -4.591 137 HG22 THR 23 HG22 THR 23 -8.734 -4.376 -2.939 138 HG23 THR 23 HG23 THR 23 -7.097 -4.964 -3.232 139 H THR 24 H THR 24 -8.027 -0.457 -1.938 140 HA THR 24 HA THR 24 -7.131 1.879 -3.488 141 HB THR 24 HB THR 24 -7.979 3.237 -1.539 142 HG1 THR 24 HG1 THR 24 -8.749 0.667 -0.695 143 HG21 THR 24 HG21 THR 24 -9.244 3.091 -3.623 144 HG22 THR 24 HG22 THR 24 -10.343 3.136 -2.242 145 HG23 THR 24 HG23 THR 24 -10.014 1.607 -3.063 146 H CYS 25 H CYS 25 -5.368 3.047 -2.662 147 HA CYS 25 HA CYS 25 -3.732 1.550 -0.794 148 HB2 CYS 25 HB2 CYS 25 -2.586 2.334 -2.804 149 HB3 CYS 25 HB3 CYS 25 -3.082 3.988 -2.467 150 H GLN 26 H GLN 26 -4.037 1.948 1.240 151 HA GLN 26 HA GLN 26 -4.718 4.678 2.061 152 HB2 GLN 26 HB2 GLN 26 -5.285 2.033 3.402 153 HB3 GLN 26 HB3 GLN 26 -5.697 3.602 4.078 154 HG2 GLN 26 HG2 GLN 26 -7.227 4.040 2.270 155 HG3 GLN 26 HG3 GLN 26 -6.731 2.565 1.449 156 HE21 GLN 26 HE21 GLN 26 -8.801 1.794 1.411 157 HE22 GLN 26 HE22 GLN 26 -9.593 1.172 2.818 158 H VAL 27 H VAL 27 -3.026 5.694 2.847 159 HA VAL 27 HA VAL 27 -0.728 4.295 3.834 160 HB VAL 27 HB VAL 27 -1.266 7.309 3.953 161 HG11 VAL 27 HG11 VAL 27 0.495 6.612 5.430 162 HG12 VAL 27 HG12 VAL 27 1.108 7.577 4.087 163 HG13 VAL 27 HG13 VAL 27 1.323 5.828 4.085 164 HG21 VAL 27 HG21 VAL 27 -1.437 6.523 1.647 165 HG22 VAL 27 HG22 VAL 27 0.127 5.727 1.800 166 HG23 VAL 27 HG23 VAL 27 0.023 7.486 1.886 167 H LEU 28 H LEU 28 -1.008 3.272 5.663 168 HA LEU 28 HA LEU 28 -2.846 4.189 7.709 169 HB2 LEU 28 HB2 LEU 28 -1.013 1.788 7.726 170 HB3 LEU 28 HB3 LEU 28 -2.385 2.064 8.771 171 HG LEU 28 HG LEU 28 -2.471 1.474 5.812 172 HD11 LEU 28 HD11 LEU 28 -3.602 -0.576 6.501 173 HD12 LEU 28 HD12 LEU 28 -3.360 -0.131 8.190 174 HD13 LEU 28 HD13 LEU 28 -1.968 -0.461 7.154 175 HD21 LEU 28 HD21 LEU 28 -4.243 3.019 6.380 176 HD22 LEU 28 HD22 LEU 28 -4.728 1.991 7.734 177 HD23 LEU 28 HD23 LEU 28 -4.903 1.408 6.074 178 H ASN 29 H ASN 29 0.514 3.295 7.487 179 HA ASN 29 HA ASN 29 1.181 5.066 9.748 180 HB2 ASN 29 HB2 ASN 29 2.747 2.703 8.583 181 HB3 ASN 29 HB3 ASN 29 3.285 3.712 9.906 182 HD21 ASN 29 HD21 ASN 29 2.874 0.832 9.808 183 HD22 ASN 29 HD22 ASN 29 1.727 0.466 11.038 184 HA PRO 30 HA PRO 30 3.137 7.551 6.671 185 HB2 PRO 30 HB2 PRO 30 5.818 7.417 7.791 186 HB3 PRO 30 HB3 PRO 30 4.772 8.825 7.616 187 HG2 PRO 30 HG2 PRO 30 5.290 7.755 10.044 188 HG3 PRO 30 HG3 PRO 30 3.728 8.490 9.654 189 HD2 PRO 30 HD2 PRO 30 4.499 5.615 9.807 190 HD3 PRO 30 HD3 PRO 30 2.986 6.380 10.316 191 H TYR 31 H TYR 31 4.812 4.681 7.587 192 HA TYR 31 HA TYR 31 6.177 4.575 4.976 193 HB2 TYR 31 HB2 TYR 31 6.632 2.792 7.360 194 HB3 TYR 31 HB3 TYR 31 7.677 3.020 5.964 195 HD1 TYR 31 HD1 TYR 31 8.799 5.272 5.671 196 HD2 TYR 31 HD2 TYR 31 6.848 4.148 9.278 197 HE1 TYR 31 HE1 TYR 31 10.032 7.009 6.868 198 HE2 TYR 31 HE2 TYR 31 8.087 5.877 10.494 199 HH TYR 31 HH TYR 31 9.769 8.332 8.940 200 H TYR 32 H TYR 32 3.702 3.071 6.932 201 HA TYR 32 HA TYR 32 3.631 0.834 5.060 202 HB2 TYR 32 HB2 TYR 32 3.813 0.208 7.472 203 HB3 TYR 32 HB3 TYR 32 2.253 0.978 7.749 204 HD1 TYR 32 HD1 TYR 32 0.189 -0.173 7.231 205 HD2 TYR 32 HD2 TYR 32 3.943 -1.796 6.017 206 HE1 TYR 32 HE1 TYR 32 -0.909 -2.292 6.645 207 HE2 TYR 32 HE2 TYR 32 2.844 -3.904 5.430 208 HH TYR 32 HH TYR 32 -0.607 -4.218 5.348 209 H SER 33 H SER 33 2.316 1.117 3.517 210 HA SER 33 HA SER 33 -0.307 2.295 4.030 211 HB2 SER 33 HB2 SER 33 1.337 2.366 1.486 212 HB3 SER 33 HB3 SER 33 -0.205 3.194 1.767 213 HG SER 33 HG SER 33 1.693 4.492 1.959 214 H GLN 34 H GLN 34 -1.973 1.013 3.156 215 HA GLN 34 HA GLN 34 -0.990 -1.485 1.991 216 HB2 GLN 34 HB2 GLN 34 -1.469 -1.714 4.416 217 HB3 GLN 34 HB3 GLN 34 -3.134 -1.271 4.094 218 HG2 GLN 34 HG2 GLN 34 -3.451 -3.253 2.774 219 HG3 GLN 34 HG3 GLN 34 -1.748 -3.698 2.961 220 HE21 GLN 34 HE21 GLN 34 -2.089 -5.625 4.058 221 HE22 GLN 34 HE22 GLN 34 -2.798 -5.661 5.624 222 H CYS 35 H CYS 35 -2.375 -2.520 0.626 223 HA CYS 35 HA CYS 35 -4.323 -0.801 -0.664 224 HB2 CYS 35 HB2 CYS 35 -3.337 -3.559 -1.420 225 HB3 CYS 35 HB3 CYS 35 -4.348 -2.514 -2.411 226 H LEU 36 H LEU 36 -6.206 -0.807 0.282 227 HA LEU 36 HA LEU 36 -7.335 -3.342 1.194 228 HB2 LEU 36 HB2 LEU 36 -7.995 -0.537 2.129 229 HB3 LEU 36 HB3 LEU 36 -8.910 -1.956 2.569 230 HG LEU 36 HG LEU 36 -7.616 -1.501 4.422 231 HD11 LEU 36 HD11 LEU 36 -7.562 -3.816 3.936 232 HD12 LEU 36 HD12 LEU 36 -6.058 -3.307 4.698 233 HD13 LEU 36 HD13 LEU 36 -6.104 -3.615 2.964 234 HD21 LEU 36 HD21 LEU 36 -5.203 -1.124 2.672 235 HD22 LEU 36 HD22 LEU 36 -5.231 -1.044 4.437 236 HD23 LEU 36 HD23 LEU 36 -6.125 0.140 3.486 Start of MODEL 4 1 H1 THR 1 H1 THR 1 2.844 -4.586 -10.481 2 H2 THR 1 H2 THR 1 2.242 -5.961 -9.669 3 H3 THR 1 H3 THR 1 3.394 -4.996 -8.927 4 HA THR 1 HA THR 1 1.841 -3.192 -8.822 5 HB THR 1 HB THR 1 -0.201 -5.087 -9.933 6 HG1 THR 1 HG1 THR 1 0.291 -4.419 -11.982 7 HG21 THR 1 HG21 THR 1 0.066 -2.089 -9.791 8 HG22 THR 1 HG22 THR 1 -0.985 -3.078 -8.781 9 HG23 THR 1 HG23 THR 1 -1.308 -2.922 -10.517 10 H GLN 2 H GLN 2 0.709 -3.072 -6.828 11 HA GLN 2 HA GLN 2 1.305 -5.350 -5.200 12 HB2 GLN 2 HB2 GLN 2 1.799 -2.950 -4.619 13 HB3 GLN 2 HB3 GLN 2 0.075 -2.731 -4.392 14 HG2 GLN 2 HG2 GLN 2 1.265 -3.073 -2.283 15 HG3 GLN 2 HG3 GLN 2 0.064 -4.323 -2.584 16 HE21 GLN 2 HE21 GLN 2 0.723 -6.433 -2.788 17 HE22 GLN 2 HE22 GLN 2 2.360 -6.925 -2.570 18 H SER 3 H SER 3 -0.049 -6.879 -4.623 19 HA SER 3 HA SER 3 -2.742 -6.900 -5.404 20 HB2 SER 3 HB2 SER 3 -2.513 -9.102 -4.022 21 HB3 SER 3 HB3 SER 3 -1.645 -8.927 -5.551 22 HG SER 3 HG SER 3 -0.247 -9.675 -3.983 23 H HIS 4 H HIS 4 -4.373 -7.773 -3.729 24 HA HIS 4 HA HIS 4 -4.991 -5.712 -1.926 25 HB2 HIS 4 HB2 HIS 4 -6.556 -7.327 -3.113 26 HB3 HIS 4 HB3 HIS 4 -6.124 -8.518 -1.895 27 HD1 HIS 4 HD1 HIS 4 -8.751 -8.467 -1.386 28 HD2 HIS 4 HD2 HIS 4 -6.685 -4.997 -0.488 29 HE1 HIS 4 HE1 HIS 4 -10.326 -7.082 -0.032 30 HE2 HIS 4 HE2 HIS 4 -9.148 -4.836 -0.005 31 H TYR 5 H TYR 5 -4.587 -5.449 0.185 32 HA TYR 5 HA TYR 5 -3.825 -5.648 2.225 33 HB2 TYR 5 HB2 TYR 5 -3.842 -8.630 1.727 34 HB3 TYR 5 HB3 TYR 5 -3.330 -7.921 3.253 35 HD1 TYR 5 HD1 TYR 5 -4.968 -6.737 4.673 36 HD2 TYR 5 HD2 TYR 5 -6.154 -8.766 1.134 37 HE1 TYR 5 HE1 TYR 5 -7.296 -6.705 5.446 38 HE2 TYR 5 HE2 TYR 5 -8.486 -8.725 1.886 39 HH TYR 5 HH TYR 5 -9.522 -6.808 4.471 40 H GLY 6 H GLY 6 -2.085 -5.858 -0.350 41 HA2 GLY 6 HA2 GLY 6 0.453 -6.465 0.931 42 HA3 GLY 6 HA3 GLY 6 0.199 -6.018 -0.758 43 H GLN 7 H GLN 7 2.212 -4.789 0.517 44 HA GLN 7 HA GLN 7 1.221 -2.280 1.610 45 HB2 GLN 7 HB2 GLN 7 3.154 -3.342 2.705 46 HB3 GLN 7 HB3 GLN 7 4.054 -3.238 1.191 47 HG2 GLN 7 HG2 GLN 7 3.851 -0.780 1.272 48 HG3 GLN 7 HG3 GLN 7 3.019 -0.909 2.811 49 HE21 GLN 7 HE21 GLN 7 5.407 0.479 2.137 50 HE22 GLN 7 HE22 GLN 7 6.692 -0.120 3.101 51 H CYS 8 H CYS 8 0.446 -0.947 0.053 52 HA CYS 8 HA CYS 8 1.590 -0.708 -2.536 53 HB2 CYS 8 HB2 CYS 8 0.421 1.576 -2.442 54 HB3 CYS 8 HB3 CYS 8 -0.621 0.123 -2.457 55 H GLY 9 H GLY 9 2.118 0.861 0.486 56 HA2 GLY 9 HA2 GLY 9 4.492 1.331 0.831 57 HA3 GLY 9 HA3 GLY 9 4.484 1.960 -0.799 58 H GLY 10 H GLY 10 4.892 2.809 2.133 59 HA2 GLY 10 HA2 GLY 10 3.492 5.324 2.038 60 HA3 GLY 10 HA3 GLY 10 4.370 4.624 3.379 61 H ILE 11 H ILE 11 5.623 6.601 3.496 62 HA ILE 11 HA ILE 11 7.448 7.511 1.574 63 HB ILE 11 HB ILE 11 7.824 7.422 4.588 64 HG12 ILE 11 HG12 ILE 11 6.663 9.643 2.893 65 HG13 ILE 11 HG13 ILE 11 5.712 8.502 3.839 66 HG21 ILE 11 HG21 ILE 11 9.907 7.913 3.422 67 HG22 ILE 11 HG22 ILE 11 9.322 9.355 4.255 68 HG23 ILE 11 HG23 ILE 11 9.116 9.200 2.511 69 HD11 ILE 11 HD11 ILE 11 7.722 10.441 4.946 70 HD12 ILE 11 HD12 ILE 11 6.714 9.338 5.883 71 HD13 ILE 11 HD13 ILE 11 5.973 10.652 4.968 72 H GLY 12 H GLY 12 9.236 6.589 0.727 73 HA2 GLY 12 HA2 GLY 12 11.344 5.468 1.051 74 HA3 GLY 12 HA3 GLY 12 10.555 4.481 2.279 75 H TYR 13 H TYR 13 8.189 4.262 0.443 76 HA TYR 13 HA TYR 13 9.232 1.910 -0.901 77 HB2 TYR 13 HB2 TYR 13 7.072 2.048 0.509 78 HB3 TYR 13 HB3 TYR 13 6.389 2.877 -0.871 79 HD1 TYR 13 HD1 TYR 13 6.999 -0.266 0.652 80 HD2 TYR 13 HD2 TYR 13 6.390 1.557 -3.133 81 HE1 TYR 13 HE1 TYR 13 6.320 -2.435 -0.263 82 HE2 TYR 13 HE2 TYR 13 5.706 -0.614 -4.065 83 HH TYR 13 HH TYR 13 4.772 -3.151 -2.280 84 H SER 14 H SER 14 9.538 1.840 -3.051 85 HA SER 14 HA SER 14 8.414 3.936 -4.718 86 HB2 SER 14 HB2 SER 14 10.732 4.074 -5.819 87 HB3 SER 14 HB3 SER 14 10.531 4.853 -4.251 88 HG SER 14 HG SER 14 11.418 2.921 -3.308 89 H GLY 15 H GLY 15 8.271 0.888 -4.207 90 HA2 GLY 15 HA2 GLY 15 8.840 -0.130 -6.874 91 HA3 GLY 15 HA3 GLY 15 8.312 -1.057 -5.472 92 HA PRO 16 HA PRO 16 4.374 -0.939 -7.800 93 HB2 PRO 16 HB2 PRO 16 3.621 -2.859 -5.694 94 HB3 PRO 16 HB3 PRO 16 3.555 -3.051 -7.448 95 HG2 PRO 16 HG2 PRO 16 5.363 -4.359 -5.995 96 HG3 PRO 16 HG3 PRO 16 5.752 -3.698 -7.594 97 HD2 PRO 16 HD2 PRO 16 6.412 -2.603 -4.881 98 HD3 PRO 16 HD3 PRO 16 7.438 -2.729 -6.330 99 H THR 17 H THR 17 4.139 1.224 -6.943 100 HA THR 17 HA THR 17 2.856 1.556 -4.400 101 HB THR 17 HB THR 17 2.844 3.989 -5.331 102 HG1 THR 17 HG1 THR 17 4.954 3.627 -6.883 103 HG21 THR 17 HG21 THR 17 5.211 4.254 -4.715 104 HG22 THR 17 HG22 THR 17 5.442 2.513 -4.858 105 HG23 THR 17 HG23 THR 17 4.394 3.163 -3.593 106 H VAL 18 H VAL 18 1.838 0.469 -7.204 107 HA VAL 18 HA VAL 18 -0.752 1.823 -7.200 108 HB VAL 18 HB VAL 18 0.446 -0.001 -9.311 109 HG11 VAL 18 HG11 VAL 18 -1.988 -0.018 -9.322 110 HG12 VAL 18 HG12 VAL 18 -1.372 0.809 -10.750 111 HG13 VAL 18 HG13 VAL 18 -2.016 1.745 -9.398 112 HG21 VAL 18 HG21 VAL 18 0.227 3.010 -9.314 113 HG22 VAL 18 HG22 VAL 18 0.765 2.023 -10.672 114 HG23 VAL 18 HG23 VAL 18 1.717 2.072 -9.187 115 H CYS 19 H CYS 19 -2.400 0.692 -6.372 116 HA CYS 19 HA CYS 19 -2.008 -2.065 -5.603 117 HB2 CYS 19 HB2 CYS 19 -4.336 -0.177 -5.178 118 HB3 CYS 19 HB3 CYS 19 -4.194 -1.793 -4.494 119 H ALA 20 H ALA 20 -3.406 -3.711 -6.236 120 HA ALA 20 HA ALA 20 -4.071 -3.850 -8.930 121 HB1 ALA 20 HB1 ALA 20 -5.192 -5.508 -6.674 122 HB2 ALA 20 HB2 ALA 20 -3.663 -5.805 -7.505 123 HB3 ALA 20 HB3 ALA 20 -5.184 -5.932 -8.386 124 H SER 21 H SER 21 -6.121 -4.063 -9.962 125 HA SER 21 HA SER 21 -7.778 -1.922 -9.813 126 HB2 SER 21 HB2 SER 21 -8.546 -4.676 -10.754 127 HB3 SER 21 HB3 SER 21 -9.165 -3.135 -11.339 128 HG SER 21 HG SER 21 -6.984 -2.663 -11.996 129 H GLY 22 H GLY 22 -9.094 -1.306 -8.172 130 HA2 GLY 22 HA2 GLY 22 -11.254 -1.604 -7.210 131 HA3 GLY 22 HA3 GLY 22 -10.945 -3.328 -7.148 132 H THR 23 H THR 23 -8.147 -1.980 -6.127 133 HA THR 23 HA THR 23 -9.129 -1.925 -3.362 134 HB THR 23 HB THR 23 -6.929 -2.818 -2.615 135 HG1 THR 23 HG1 THR 23 -6.415 -2.843 -5.419 136 HG21 THR 23 HG21 THR 23 -8.301 -4.540 -4.685 137 HG22 THR 23 HG22 THR 23 -8.767 -4.374 -2.991 138 HG23 THR 23 HG23 THR 23 -7.229 -5.117 -3.409 139 H THR 24 H THR 24 -8.213 -0.407 -1.920 140 HA THR 24 HA THR 24 -7.031 1.841 -3.372 141 HB THR 24 HB THR 24 -7.854 3.225 -1.443 142 HG1 THR 24 HG1 THR 24 -8.871 0.716 -0.649 143 HG21 THR 24 HG21 THR 24 -10.182 3.280 -2.241 144 HG22 THR 24 HG22 THR 24 -9.908 1.745 -3.075 145 HG23 THR 24 HG23 THR 24 -9.018 3.188 -3.568 146 H CYS 25 H CYS 25 -5.182 2.750 -2.726 147 HA CYS 25 HA CYS 25 -3.616 1.393 -0.761 148 HB2 CYS 25 HB2 CYS 25 -2.498 2.286 -2.747 149 HB3 CYS 25 HB3 CYS 25 -3.042 3.913 -2.345 150 H GLN 26 H GLN 26 -3.931 1.761 1.269 151 HA GLN 26 HA GLN 26 -4.744 4.446 2.083 152 HB2 GLN 26 HB2 GLN 26 -5.236 1.778 3.401 153 HB3 GLN 26 HB3 GLN 26 -5.712 3.333 4.069 154 HG2 GLN 26 HG2 GLN 26 -7.201 3.724 2.201 155 HG3 GLN 26 HG3 GLN 26 -6.680 2.225 1.439 156 HE21 GLN 26 HE21 GLN 26 -8.780 1.439 1.411 157 HE22 GLN 26 HE22 GLN 26 -9.564 0.876 2.838 158 H VAL 27 H VAL 27 -3.123 5.519 2.899 159 HA VAL 27 HA VAL 27 -0.798 4.192 3.894 160 HB VAL 27 HB VAL 27 -1.452 7.174 3.985 161 HG11 VAL 27 HG11 VAL 27 1.136 5.743 4.263 162 HG12 VAL 27 HG12 VAL 27 0.272 6.644 5.513 163 HG13 VAL 27 HG13 VAL 27 0.944 7.493 4.118 164 HG21 VAL 27 HG21 VAL 27 0.071 5.643 1.885 165 HG22 VAL 27 HG22 VAL 27 -0.113 7.395 1.958 166 HG23 VAL 27 HG23 VAL 27 -1.522 6.372 1.677 167 H LEU 28 H LEU 28 -1.080 3.165 5.712 168 HA LEU 28 HA LEU 28 -2.946 4.010 7.757 169 HB2 LEU 28 HB2 LEU 28 -0.903 1.785 7.844 170 HB3 LEU 28 HB3 LEU 28 -2.271 1.979 8.911 171 HG LEU 28 HG LEU 28 -2.398 1.297 5.972 172 HD11 LEU 28 HD11 LEU 28 -3.228 -0.858 6.749 173 HD12 LEU 28 HD12 LEU 28 -3.000 -0.344 8.419 174 HD13 LEU 28 HD13 LEU 28 -1.606 -0.529 7.357 175 HD21 LEU 28 HD21 LEU 28 -4.588 1.574 8.008 176 HD22 LEU 28 HD22 LEU 28 -4.778 0.963 6.358 177 HD23 LEU 28 HD23 LEU 28 -4.300 2.646 6.630 178 H ASN 29 H ASN 29 0.468 3.412 7.473 179 HA ASN 29 HA ASN 29 1.023 5.289 9.658 180 HB2 ASN 29 HB2 ASN 29 2.714 2.941 8.699 181 HB3 ASN 29 HB3 ASN 29 3.062 4.013 10.044 182 HD21 ASN 29 HD21 ASN 29 2.843 1.123 9.950 183 HD22 ASN 29 HD22 ASN 29 1.646 0.684 11.095 184 HA PRO 30 HA PRO 30 2.913 7.697 6.527 185 HB2 PRO 30 HB2 PRO 30 5.546 7.642 7.794 186 HB3 PRO 30 HB3 PRO 30 4.542 9.036 7.395 187 HG2 PRO 30 HG2 PRO 30 4.780 8.274 9.955 188 HG3 PRO 30 HG3 PRO 30 3.221 8.827 9.314 189 HD2 PRO 30 HD2 PRO 30 4.181 6.048 9.847 190 HD3 PRO 30 HD3 PRO 30 2.588 6.758 10.154 191 H TYR 31 H TYR 31 4.848 4.920 7.503 192 HA TYR 31 HA TYR 31 6.072 4.892 4.834 193 HB2 TYR 31 HB2 TYR 31 6.947 3.317 7.283 194 HB3 TYR 31 HB3 TYR 31 7.790 3.466 5.755 195 HD1 TYR 31 HD1 TYR 31 6.719 5.434 8.743 196 HD2 TYR 31 HD2 TYR 31 9.308 5.236 5.372 197 HE1 TYR 31 HE1 TYR 31 7.972 7.334 9.606 198 HE2 TYR 31 HE2 TYR 31 10.554 7.159 6.228 199 HH TYR 31 HH TYR 31 10.168 8.305 9.414 200 H TYR 32 H TYR 32 3.895 3.208 6.941 201 HA TYR 32 HA TYR 32 3.844 0.945 5.086 202 HB2 TYR 32 HB2 TYR 32 4.121 0.362 7.485 203 HB3 TYR 32 HB3 TYR 32 2.562 1.110 7.823 204 HD1 TYR 32 HD1 TYR 32 0.482 -0.095 7.406 205 HD2 TYR 32 HD2 TYR 32 4.219 -1.682 6.077 206 HE1 TYR 32 HE1 TYR 32 -0.595 -2.241 6.901 207 HE2 TYR 32 HE2 TYR 32 3.127 -3.820 5.573 208 HH TYR 32 HH TYR 32 -0.285 -4.203 5.553 209 H SER 33 H SER 33 2.445 1.118 3.548 210 HA SER 33 HA SER 33 -0.227 2.171 4.128 211 HB2 SER 33 HB2 SER 33 1.307 2.323 1.526 212 HB3 SER 33 HB3 SER 33 -0.258 3.072 1.875 213 HG SER 33 HG SER 33 1.597 4.460 2.008 214 H GLN 34 H GLN 34 -1.888 0.883 3.191 215 HA GLN 34 HA GLN 34 -0.895 -1.615 2.025 216 HB2 GLN 34 HB2 GLN 34 -1.345 -1.810 4.494 217 HB3 GLN 34 HB3 GLN 34 -3.028 -1.443 4.152 218 HG2 GLN 34 HG2 GLN 34 -3.302 -3.458 2.931 219 HG3 GLN 34 HG3 GLN 34 -1.573 -3.794 2.986 220 HE21 GLN 34 HE21 GLN 34 -1.773 -5.744 4.046 221 HE22 GLN 34 HE22 GLN 34 -2.280 -5.857 5.681 222 H CYS 35 H CYS 35 -2.302 -2.635 0.625 223 HA CYS 35 HA CYS 35 -4.262 -0.882 -0.603 224 HB2 CYS 35 HB2 CYS 35 -3.304 -3.635 -1.428 225 HB3 CYS 35 HB3 CYS 35 -4.333 -2.577 -2.384 226 H LEU 36 H LEU 36 -6.193 -0.889 0.323 227 HA LEU 36 HA LEU 36 -7.351 -3.461 1.074 228 HB2 LEU 36 HB2 LEU 36 -7.964 -0.748 2.267 229 HB3 LEU 36 HB3 LEU 36 -8.869 -2.199 2.603 230 HG LEU 36 HG LEU 36 -7.527 -1.923 4.464 231 HD11 LEU 36 HD11 LEU 36 -5.936 -3.736 4.522 232 HD12 LEU 36 HD12 LEU 36 -6.032 -3.870 2.772 233 HD13 LEU 36 HD13 LEU 36 -7.461 -4.183 3.758 234 HD21 LEU 36 HD21 LEU 36 -5.166 -1.344 2.695 235 HD22 LEU 36 HD22 LEU 36 -5.142 -1.442 4.460 236 HD23 LEU 36 HD23 LEU 36 -6.070 -0.176 3.660 Start of MODEL 5 1 H1 THR 1 H1 THR 1 3.082 -4.801 -9.378 2 H2 THR 1 H2 THR 1 2.287 -4.419 -10.847 3 H3 THR 1 H3 THR 1 1.771 -5.727 -9.899 4 HA THR 1 HA THR 1 1.627 -2.929 -9.050 5 HB THR 1 HB THR 1 -0.613 -4.786 -9.843 6 HG1 THR 1 HG1 THR 1 -0.470 -3.981 -11.901 7 HG21 THR 1 HG21 THR 1 -1.770 -2.628 -10.240 8 HG22 THR 1 HG22 THR 1 -0.282 -1.789 -9.767 9 HG23 THR 1 HG23 THR 1 -1.159 -2.749 -8.586 10 H GLN 2 H GLN 2 0.447 -2.837 -6.927 11 HA GLN 2 HA GLN 2 1.285 -5.119 -5.420 12 HB2 GLN 2 HB2 GLN 2 1.636 -2.788 -4.579 13 HB3 GLN 2 HB3 GLN 2 -0.110 -2.664 -4.351 14 HG2 GLN 2 HG2 GLN 2 0.924 -3.290 -2.269 15 HG3 GLN 2 HG3 GLN 2 -0.050 -4.626 -2.889 16 HE21 GLN 2 HE21 GLN 2 0.973 -6.390 -2.163 17 HE22 GLN 2 HE22 GLN 2 2.631 -6.734 -2.443 18 H SER 3 H SER 3 0.094 -6.603 -4.418 19 HA SER 3 HA SER 3 -2.539 -7.025 -5.372 20 HB2 SER 3 HB2 SER 3 -2.073 -9.129 -3.910 21 HB3 SER 3 HB3 SER 3 -1.175 -8.900 -5.413 22 HG SER 3 HG SER 3 -0.242 -9.122 -2.951 23 H HIS 4 H HIS 4 -4.124 -7.964 -3.682 24 HA HIS 4 HA HIS 4 -4.916 -5.858 -1.959 25 HB2 HIS 4 HB2 HIS 4 -6.422 -7.548 -3.150 26 HB3 HIS 4 HB3 HIS 4 -5.948 -8.712 -1.930 27 HD1 HIS 4 HD1 HIS 4 -8.726 -8.601 -1.709 28 HD2 HIS 4 HD2 HIS 4 -6.576 -5.371 -0.228 29 HE1 HIS 4 HE1 HIS 4 -10.309 -7.365 -0.231 30 HE2 HIS 4 HE2 HIS 4 -9.101 -5.212 0.171 31 H TYR 5 H TYR 5 -4.517 -5.508 0.132 32 HA TYR 5 HA TYR 5 -3.836 -5.662 2.197 33 HB2 TYR 5 HB2 TYR 5 -3.856 -8.649 1.768 34 HB3 TYR 5 HB3 TYR 5 -3.372 -7.920 3.296 35 HD1 TYR 5 HD1 TYR 5 -6.115 -9.104 1.357 36 HD2 TYR 5 HD2 TYR 5 -5.074 -6.331 4.401 37 HE1 TYR 5 HE1 TYR 5 -8.468 -8.965 2.029 38 HE2 TYR 5 HE2 TYR 5 -7.424 -6.192 5.083 39 HH TYR 5 HH TYR 5 -9.713 -8.378 4.180 40 H GLY 6 H GLY 6 -2.005 -5.872 -0.279 41 HA2 GLY 6 HA2 GLY 6 0.453 -6.378 1.193 42 HA3 GLY 6 HA3 GLY 6 0.314 -6.066 -0.535 43 H GLN 7 H GLN 7 2.190 -4.734 0.853 44 HA GLN 7 HA GLN 7 1.154 -2.149 1.647 45 HB2 GLN 7 HB2 GLN 7 3.033 -3.099 2.895 46 HB3 GLN 7 HB3 GLN 7 4.002 -3.167 1.427 47 HG2 GLN 7 HG2 GLN 7 3.927 -0.716 1.296 48 HG3 GLN 7 HG3 GLN 7 2.977 -0.676 2.777 49 HE21 GLN 7 HE21 GLN 7 5.535 0.490 2.204 50 HE22 GLN 7 HE22 GLN 7 6.652 -0.151 3.345 51 H CYS 8 H CYS 8 0.652 -0.735 0.148 52 HA CYS 8 HA CYS 8 1.624 -0.861 -2.536 53 HB2 CYS 8 HB2 CYS 8 0.591 1.524 -2.499 54 HB3 CYS 8 HB3 CYS 8 -0.507 0.102 -2.508 55 H GLY 9 H GLY 9 2.044 1.530 0.037 56 HA2 GLY 9 HA2 GLY 9 4.709 1.776 -0.194 57 HA3 GLY 9 HA3 GLY 9 4.100 2.724 -1.533 58 H GLY 10 H GLY 10 4.868 2.638 1.689 59 HA2 GLY 10 HA2 GLY 10 3.567 5.164 2.166 60 HA3 GLY 10 HA3 GLY 10 4.439 4.187 3.346 61 H ILE 11 H ILE 11 5.782 6.122 3.805 62 HA ILE 11 HA ILE 11 7.527 7.211 1.858 63 HB ILE 11 HB ILE 11 7.909 7.109 4.869 64 HG12 ILE 11 HG12 ILE 11 6.726 9.301 3.150 65 HG13 ILE 11 HG13 ILE 11 5.791 8.181 4.132 66 HG21 ILE 11 HG21 ILE 11 9.387 9.051 4.554 67 HG22 ILE 11 HG22 ILE 11 9.202 8.906 2.804 68 HG23 ILE 11 HG23 ILE 11 9.998 7.624 3.716 69 HD11 ILE 11 HD11 ILE 11 6.036 10.346 5.212 70 HD12 ILE 11 HD12 ILE 11 7.793 10.179 5.158 71 HD13 ILE 11 HD13 ILE 11 6.833 9.077 6.142 72 H GLY 12 H GLY 12 9.117 6.215 0.801 73 HA2 GLY 12 HA2 GLY 12 11.367 5.313 1.025 74 HA3 GLY 12 HA3 GLY 12 10.742 4.255 2.280 75 H TYR 13 H TYR 13 8.305 4.107 0.345 76 HA TYR 13 HA TYR 13 9.323 1.671 -0.937 77 HB2 TYR 13 HB2 TYR 13 7.181 1.778 0.475 78 HB3 TYR 13 HB3 TYR 13 6.484 2.687 -0.853 79 HD1 TYR 13 HD1 TYR 13 6.612 -0.431 0.598 80 HD2 TYR 13 HD2 TYR 13 6.855 1.354 -3.245 81 HE1 TYR 13 HE1 TYR 13 5.889 -2.543 -0.421 82 HE2 TYR 13 HE2 TYR 13 6.127 -0.753 -4.274 83 HH TYR 13 HH TYR 13 4.640 -3.122 -2.721 84 H SER 14 H SER 14 9.805 1.676 -3.084 85 HA SER 14 HA SER 14 8.848 3.939 -4.686 86 HB2 SER 14 HB2 SER 14 11.039 3.585 -5.927 87 HB3 SER 14 HB3 SER 14 11.147 4.250 -4.294 88 HG SER 14 HG SER 14 12.184 1.955 -5.265 89 H GLY 15 H GLY 15 8.583 0.630 -4.371 90 HA2 GLY 15 HA2 GLY 15 8.701 -0.073 -7.182 91 HA3 GLY 15 HA3 GLY 15 8.290 -1.138 -5.850 92 HA PRO 16 HA PRO 16 4.180 -0.879 -7.886 93 HB2 PRO 16 HB2 PRO 16 3.644 -2.883 -5.777 94 HB3 PRO 16 HB3 PRO 16 3.338 -2.984 -7.512 95 HG2 PRO 16 HG2 PRO 16 5.308 -4.376 -6.434 96 HG3 PRO 16 HG3 PRO 16 5.526 -3.557 -7.993 97 HD2 PRO 16 HD2 PRO 16 6.458 -2.715 -5.271 98 HD3 PRO 16 HD3 PRO 16 7.337 -2.703 -6.817 99 H THR 17 H THR 17 4.148 1.232 -6.882 100 HA THR 17 HA THR 17 2.938 1.489 -4.303 101 HB THR 17 HB THR 17 2.959 3.964 -5.090 102 HG1 THR 17 HG1 THR 17 5.003 3.322 -6.833 103 HG21 THR 17 HG21 THR 17 5.352 4.143 -4.551 104 HG22 THR 17 HG22 THR 17 5.537 2.410 -4.843 105 HG23 THR 17 HG23 THR 17 4.553 2.973 -3.493 106 H VAL 18 H VAL 18 1.864 0.780 -7.286 107 HA VAL 18 HA VAL 18 -0.745 2.065 -7.003 108 HB VAL 18 HB VAL 18 0.318 0.363 -9.276 109 HG11 VAL 18 HG11 VAL 18 -1.514 1.383 -10.582 110 HG12 VAL 18 HG12 VAL 18 -2.071 2.206 -9.126 111 HG13 VAL 18 HG13 VAL 18 -2.105 0.445 -9.210 112 HG21 VAL 18 HG21 VAL 18 0.670 2.463 -10.520 113 HG22 VAL 18 HG22 VAL 18 1.685 2.370 -9.080 114 HG23 VAL 18 HG23 VAL 18 0.239 3.378 -9.076 115 H CYS 19 H CYS 19 -2.434 0.850 -6.350 116 HA CYS 19 HA CYS 19 -1.966 -1.936 -5.698 117 HB2 CYS 19 HB2 CYS 19 -4.290 -0.114 -5.066 118 HB3 CYS 19 HB3 CYS 19 -4.078 -1.755 -4.467 119 H ALA 20 H ALA 20 -3.210 -3.579 -6.452 120 HA ALA 20 HA ALA 20 -4.075 -3.602 -9.072 121 HB1 ALA 20 HB1 ALA 20 -4.931 -5.414 -6.812 122 HB2 ALA 20 HB2 ALA 20 -3.472 -5.599 -7.783 123 HB3 ALA 20 HB3 ALA 20 -5.058 -5.773 -8.535 124 H SER 21 H SER 21 -6.183 -3.804 -9.976 125 HA SER 21 HA SER 21 -7.963 -1.818 -9.440 126 HB2 SER 21 HB2 SER 21 -8.631 -4.483 -10.675 127 HB3 SER 21 HB3 SER 21 -9.375 -2.919 -11.025 128 HG SER 21 HG SER 21 -7.470 -2.220 -11.932 129 H GLY 22 H GLY 22 -9.482 -1.494 -7.930 130 HA2 GLY 22 HA2 GLY 22 -11.407 -2.159 -6.758 131 HA3 GLY 22 HA3 GLY 22 -10.782 -3.801 -6.705 132 H THR 23 H THR 23 -8.093 -2.378 -5.952 133 HA THR 23 HA THR 23 -8.831 -2.234 -3.116 134 HB THR 23 HB THR 23 -6.547 -2.977 -2.551 135 HG1 THR 23 HG1 THR 23 -6.188 -2.886 -5.378 136 HG21 THR 23 HG21 THR 23 -6.687 -5.274 -3.400 137 HG22 THR 23 HG22 THR 23 -7.889 -4.761 -4.584 138 HG23 THR 23 HG23 THR 23 -8.254 -4.682 -2.860 139 H THR 24 H THR 24 -8.045 -0.573 -1.852 140 HA THR 24 HA THR 24 -6.936 1.637 -3.423 141 HB THR 24 HB THR 24 -7.879 3.081 -1.530 142 HG1 THR 24 HG1 THR 24 -8.811 0.556 -0.775 143 HG21 THR 24 HG21 THR 24 -8.838 2.975 -3.770 144 HG22 THR 24 HG22 THR 24 -10.103 3.115 -2.554 145 HG23 THR 24 HG23 THR 24 -9.774 1.551 -3.316 146 H CYS 25 H CYS 25 -5.067 2.563 -2.875 147 HA CYS 25 HA CYS 25 -3.504 1.366 -0.815 148 HB2 CYS 25 HB2 CYS 25 -2.393 2.173 -2.851 149 HB3 CYS 25 HB3 CYS 25 -2.946 3.815 -2.518 150 H GLN 26 H GLN 26 -4.011 1.781 1.179 151 HA GLN 26 HA GLN 26 -4.743 4.518 1.885 152 HB2 GLN 26 HB2 GLN 26 -5.317 1.915 3.302 153 HB3 GLN 26 HB3 GLN 26 -5.788 3.505 3.890 154 HG2 GLN 26 HG2 GLN 26 -7.220 3.843 1.979 155 HG3 GLN 26 HG3 GLN 26 -6.694 2.319 1.274 156 HE21 GLN 26 HE21 GLN 26 -8.808 1.570 1.189 157 HE22 GLN 26 HE22 GLN 26 -9.624 1.031 2.626 158 H VAL 27 H VAL 27 -3.143 5.589 2.708 159 HA VAL 27 HA VAL 27 -0.849 4.263 3.799 160 HB VAL 27 HB VAL 27 -1.431 7.266 3.748 161 HG11 VAL 27 HG11 VAL 27 0.264 6.618 5.316 162 HG12 VAL 27 HG12 VAL 27 0.880 7.612 3.996 163 HG13 VAL 27 HG13 VAL 27 1.186 5.869 4.009 164 HG21 VAL 27 HG21 VAL 27 0.055 5.604 1.719 165 HG22 VAL 27 HG22 VAL 27 -0.078 7.363 1.721 166 HG23 VAL 27 HG23 VAL 27 -1.515 6.370 1.476 167 H LEU 28 H LEU 28 -1.315 3.284 5.605 168 HA LEU 28 HA LEU 28 -3.168 4.252 7.580 169 HB2 LEU 28 HB2 LEU 28 -1.180 1.987 7.777 170 HB3 LEU 28 HB3 LEU 28 -2.556 2.250 8.823 171 HG LEU 28 HG LEU 28 -2.670 1.485 5.902 172 HD11 LEU 28 HD11 LEU 28 -3.586 -0.617 6.730 173 HD12 LEU 28 HD12 LEU 28 -3.333 -0.071 8.390 174 HD13 LEU 28 HD13 LEU 28 -1.953 -0.337 7.328 175 HD21 LEU 28 HD21 LEU 28 -4.865 1.885 7.907 176 HD22 LEU 28 HD22 LEU 28 -5.063 1.226 6.279 177 HD23 LEU 28 HD23 LEU 28 -4.543 2.904 6.497 178 H ASN 29 H ASN 29 0.257 3.662 7.418 179 HA ASN 29 HA ASN 29 0.726 5.562 9.607 180 HB2 ASN 29 HB2 ASN 29 2.314 3.071 8.859 181 HB3 ASN 29 HB3 ASN 29 2.738 4.203 10.132 182 HD21 ASN 29 HD21 ASN 29 2.289 1.351 10.266 183 HD22 ASN 29 HD22 ASN 29 1.015 1.111 11.396 184 HA PRO 30 HA PRO 30 3.004 7.757 6.585 185 HB2 PRO 30 HB2 PRO 30 5.612 7.519 7.896 186 HB3 PRO 30 HB3 PRO 30 4.693 8.974 7.509 187 HG2 PRO 30 HG2 PRO 30 4.899 8.146 10.053 188 HG3 PRO 30 HG3 PRO 30 3.395 8.850 9.435 189 HD2 PRO 30 HD2 PRO 30 4.099 5.984 9.898 190 HD3 PRO 30 HD3 PRO 30 2.574 6.814 10.241 191 H TYR 31 H TYR 31 4.722 4.874 7.693 192 HA TYR 31 HA TYR 31 6.020 4.702 5.071 193 HB2 TYR 31 HB2 TYR 31 6.711 3.084 7.541 194 HB3 TYR 31 HB3 TYR 31 7.667 3.307 6.087 195 HD1 TYR 31 HD1 TYR 31 6.593 4.871 9.236 196 HD2 TYR 31 HD2 TYR 31 8.903 5.358 5.701 197 HE1 TYR 31 HE1 TYR 31 7.683 6.800 10.234 198 HE2 TYR 31 HE2 TYR 31 10.006 7.318 6.707 199 HH TYR 31 HH TYR 31 9.371 9.018 8.486 200 H TYR 32 H TYR 32 3.669 3.198 7.140 201 HA TYR 32 HA TYR 32 3.586 0.897 5.346 202 HB2 TYR 32 HB2 TYR 32 3.675 0.441 7.818 203 HB3 TYR 32 HB3 TYR 32 2.105 1.225 7.963 204 HD1 TYR 32 HD1 TYR 32 0.095 -0.034 7.626 205 HD2 TYR 32 HD2 TYR 32 3.840 -1.579 6.283 206 HE1 TYR 32 HE1 TYR 32 -0.972 -2.190 7.093 207 HE2 TYR 32 HE2 TYR 32 2.775 -3.715 5.752 208 HH TYR 32 HH TYR 32 -0.637 -4.127 5.735 209 H SER 33 H SER 33 2.316 1.095 3.734 210 HA SER 33 HA SER 33 -0.339 2.279 4.069 211 HB2 SER 33 HB2 SER 33 1.382 2.306 1.577 212 HB3 SER 33 HB3 SER 33 -0.156 3.138 1.814 213 HG SER 33 HG SER 33 1.657 4.503 2.024 214 H GLN 34 H GLN 34 -1.936 0.929 3.176 215 HA GLN 34 HA GLN 34 -0.887 -1.553 2.027 216 HB2 GLN 34 HB2 GLN 34 -1.383 -1.793 4.448 217 HB3 GLN 34 HB3 GLN 34 -3.049 -1.362 4.123 218 HG2 GLN 34 HG2 GLN 34 -3.344 -3.350 2.800 219 HG3 GLN 34 HG3 GLN 34 -1.637 -3.765 2.986 220 HE21 GLN 34 HE21 GLN 34 -1.986 -5.699 4.032 221 HE22 GLN 34 HE22 GLN 34 -2.680 -5.788 5.604 222 H CYS 35 H CYS 35 -2.269 -2.605 0.612 223 HA CYS 35 HA CYS 35 -4.215 -0.873 -0.669 224 HB2 CYS 35 HB2 CYS 35 -3.223 -3.627 -1.427 225 HB3 CYS 35 HB3 CYS 35 -4.235 -2.594 -2.425 226 H LEU 36 H LEU 36 -6.100 -0.899 0.341 227 HA LEU 36 HA LEU 36 -7.194 -3.482 1.143 228 HB2 LEU 36 HB2 LEU 36 -7.990 -0.720 2.086 229 HB3 LEU 36 HB3 LEU 36 -8.798 -2.202 2.530 230 HG LEU 36 HG LEU 36 -7.537 -1.681 4.381 231 HD11 LEU 36 HD11 LEU 36 -5.809 -3.340 4.623 232 HD12 LEU 36 HD12 LEU 36 -5.852 -3.622 2.885 233 HD13 LEU 36 HD13 LEU 36 -7.272 -3.971 3.870 234 HD21 LEU 36 HD21 LEU 36 -5.183 -1.044 2.626 235 HD22 LEU 36 HD22 LEU 36 -5.188 -1.022 4.393 236 HD23 LEU 36 HD23 LEU 36 -6.209 0.101 3.491 Start of MODEL 6 1 H1 THR 1 H1 THR 1 2.198 -5.484 -9.895 2 H2 THR 1 H2 THR 1 3.312 -4.390 -9.252 3 H3 THR 1 H3 THR 1 2.508 -4.055 -10.719 4 HA THR 1 HA THR 1 1.577 -2.790 -8.900 5 HB THR 1 HB THR 1 -0.325 -4.859 -9.982 6 HG1 THR 1 HG1 THR 1 -0.161 -3.750 -11.964 7 HG21 THR 1 HG21 THR 1 -1.739 -2.836 -10.290 8 HG22 THR 1 HG22 THR 1 -0.404 -1.883 -9.599 9 HG23 THR 1 HG23 THR 1 -1.240 -3.062 -8.605 10 H GLN 2 H GLN 2 0.573 -2.857 -6.809 11 HA GLN 2 HA GLN 2 1.352 -5.182 -5.306 12 HB2 GLN 2 HB2 GLN 2 1.813 -2.841 -4.598 13 HB3 GLN 2 HB3 GLN 2 0.091 -2.619 -4.377 14 HG2 GLN 2 HG2 GLN 2 1.246 -3.022 -2.265 15 HG3 GLN 2 HG3 GLN 2 0.063 -4.275 -2.627 16 HE21 GLN 2 HE21 GLN 2 0.761 -6.390 -2.825 17 HE22 GLN 2 HE22 GLN 2 2.407 -6.836 -2.574 18 H SER 3 H SER 3 0.068 -6.740 -4.617 19 HA SER 3 HA SER 3 -2.611 -6.965 -5.375 20 HB2 SER 3 HB2 SER 3 -2.358 -9.019 -3.883 21 HB3 SER 3 HB3 SER 3 -1.301 -8.889 -5.294 22 HG SER 3 HG SER 3 0.074 -9.345 -3.699 23 H HIS 4 H HIS 4 -4.275 -7.677 -3.781 24 HA HIS 4 HA HIS 4 -4.971 -5.661 -1.965 25 HB2 HIS 4 HB2 HIS 4 -6.498 -7.311 -3.162 26 HB3 HIS 4 HB3 HIS 4 -6.008 -8.506 -1.970 27 HD1 HIS 4 HD1 HIS 4 -8.642 -8.556 -1.414 28 HD2 HIS 4 HD2 HIS 4 -6.679 -5.022 -0.487 29 HE1 HIS 4 HE1 HIS 4 -10.209 -7.290 0.042 30 HE2 HIS 4 HE2 HIS 4 -9.149 -4.993 0.101 31 H TYR 5 H TYR 5 -4.456 -5.356 0.105 32 HA TYR 5 HA TYR 5 -3.717 -5.564 2.136 33 HB2 TYR 5 HB2 TYR 5 -3.867 -8.527 1.639 34 HB3 TYR 5 HB3 TYR 5 -3.206 -7.877 3.133 35 HD1 TYR 5 HD1 TYR 5 -4.656 -6.586 4.668 36 HD2 TYR 5 HD2 TYR 5 -6.237 -8.529 1.232 37 HE1 TYR 5 HE1 TYR 5 -6.899 -6.405 5.616 38 HE2 TYR 5 HE2 TYR 5 -8.500 -8.336 2.170 39 HH TYR 5 HH TYR 5 -9.167 -6.380 4.909 40 H GLY 6 H GLY 6 -1.969 -5.774 -0.429 41 HA2 GLY 6 HA2 GLY 6 0.528 -6.376 0.917 42 HA3 GLY 6 HA3 GLY 6 0.322 -5.947 -0.785 43 H GLN 7 H GLN 7 2.272 -4.743 0.752 44 HA GLN 7 HA GLN 7 1.281 -2.177 1.629 45 HB2 GLN 7 HB2 GLN 7 3.157 -3.258 2.792 46 HB3 GLN 7 HB3 GLN 7 4.089 -3.198 1.291 47 HG2 GLN 7 HG2 GLN 7 4.024 -0.762 1.341 48 HG3 GLN 7 HG3 GLN 7 3.028 -0.803 2.789 49 HE21 GLN 7 HE21 GLN 7 5.513 0.485 2.374 50 HE22 GLN 7 HE22 GLN 7 6.618 -0.147 3.533 51 H CYS 8 H CYS 8 0.622 -0.844 0.068 52 HA CYS 8 HA CYS 8 1.620 -0.834 -2.594 53 HB2 CYS 8 HB2 CYS 8 0.548 1.523 -2.494 54 HB3 CYS 8 HB3 CYS 8 -0.525 0.087 -2.504 55 H GLY 9 H GLY 9 2.088 1.415 0.073 56 HA2 GLY 9 HA2 GLY 9 4.696 1.741 -0.107 57 HA3 GLY 9 HA3 GLY 9 4.147 2.651 -1.506 58 H GLY 10 H GLY 10 5.026 2.823 1.562 59 HA2 GLY 10 HA2 GLY 10 3.560 5.291 2.040 60 HA3 GLY 10 HA3 GLY 10 4.425 4.334 3.235 61 H ILE 11 H ILE 11 5.715 6.317 3.664 62 HA ILE 11 HA ILE 11 7.596 7.206 1.727 63 HB ILE 11 HB ILE 11 7.726 7.379 4.759 64 HG12 ILE 11 HG12 ILE 11 6.750 9.401 2.719 65 HG13 ILE 11 HG13 ILE 11 5.718 8.440 3.770 66 HG21 ILE 11 HG21 ILE 11 9.927 7.711 3.729 67 HG22 ILE 11 HG22 ILE 11 9.310 9.238 4.368 68 HG23 ILE 11 HG23 ILE 11 9.244 8.918 2.638 69 HD11 ILE 11 HD11 ILE 11 6.675 9.549 5.718 70 HD12 ILE 11 HD12 ILE 11 5.963 10.701 4.590 71 HD13 ILE 11 HD13 ILE 11 7.714 10.503 4.660 72 H GLY 12 H GLY 12 9.257 6.085 0.955 73 HA2 GLY 12 HA2 GLY 12 11.388 5.024 1.461 74 HA3 GLY 12 HA3 GLY 12 10.560 4.130 2.731 75 H TYR 13 H TYR 13 8.367 4.140 0.414 76 HA TYR 13 HA TYR 13 9.378 1.656 -0.821 77 HB2 TYR 13 HB2 TYR 13 7.336 1.578 0.740 78 HB3 TYR 13 HB3 TYR 13 6.509 2.522 -0.481 79 HD1 TYR 13 HD1 TYR 13 6.996 -0.694 0.751 80 HD2 TYR 13 HD2 TYR 13 6.616 1.365 -2.946 81 HE1 TYR 13 HE1 TYR 13 6.291 -2.774 -0.332 82 HE2 TYR 13 HE2 TYR 13 5.902 -0.709 -4.032 83 HH TYR 13 HH TYR 13 4.790 -3.281 -2.464 84 H SER 14 H SER 14 9.525 1.709 -3.076 85 HA SER 14 HA SER 14 8.064 3.792 -4.492 86 HB2 SER 14 HB2 SER 14 10.226 4.306 -5.756 87 HB3 SER 14 HB3 SER 14 10.102 4.901 -4.101 88 HG SER 14 HG SER 14 11.819 3.842 -3.711 89 H GLY 15 H GLY 15 8.099 0.752 -4.303 90 HA2 GLY 15 HA2 GLY 15 8.696 -0.005 -7.079 91 HA3 GLY 15 HA3 GLY 15 8.235 -1.070 -5.760 92 HA PRO 16 HA PRO 16 4.173 -1.024 -7.885 93 HB2 PRO 16 HB2 PRO 16 3.596 -2.912 -5.701 94 HB3 PRO 16 HB3 PRO 16 3.447 -3.148 -7.444 95 HG2 PRO 16 HG2 PRO 16 5.364 -4.375 -6.084 96 HG3 PRO 16 HG3 PRO 16 5.678 -3.693 -7.691 97 HD2 PRO 16 HD2 PRO 16 6.355 -2.577 -4.998 98 HD3 PRO 16 HD3 PRO 16 7.357 -2.703 -6.465 99 H THR 17 H THR 17 4.103 1.164 -6.943 100 HA THR 17 HA THR 17 2.872 1.439 -4.385 101 HB THR 17 HB THR 17 2.763 3.883 -5.130 102 HG1 THR 17 HG1 THR 17 4.207 4.294 -6.913 103 HG21 THR 17 HG21 THR 17 5.437 2.470 -5.089 104 HG22 THR 17 HG22 THR 17 4.520 2.968 -3.671 105 HG23 THR 17 HG23 THR 17 5.181 4.186 -4.764 106 H VAL 18 H VAL 18 1.803 0.920 -7.533 107 HA VAL 18 HA VAL 18 -0.847 1.994 -7.045 108 HB VAL 18 HB VAL 18 0.239 0.453 -9.438 109 HG11 VAL 18 HG11 VAL 18 -2.397 1.904 -9.094 110 HG12 VAL 18 HG12 VAL 18 -2.185 0.160 -9.226 111 HG13 VAL 18 HG13 VAL 18 -1.814 1.203 -10.600 112 HG21 VAL 18 HG21 VAL 18 0.221 2.595 -10.604 113 HG22 VAL 18 HG22 VAL 18 1.229 2.710 -9.154 114 HG23 VAL 18 HG23 VAL 18 -0.392 3.391 -9.160 115 H CYS 19 H CYS 19 -2.484 0.795 -6.380 116 HA CYS 19 HA CYS 19 -1.975 -1.942 -5.620 117 HB2 CYS 19 HB2 CYS 19 -4.372 -0.169 -5.211 118 HB3 CYS 19 HB3 CYS 19 -4.159 -1.771 -4.516 119 H ALA 20 H ALA 20 -3.423 -3.640 -6.111 120 HA ALA 20 HA ALA 20 -4.079 -3.979 -8.789 121 HB1 ALA 20 HB1 ALA 20 -5.209 -6.020 -8.064 122 HB2 ALA 20 HB2 ALA 20 -5.176 -5.457 -6.397 123 HB3 ALA 20 HB3 ALA 20 -3.667 -5.829 -7.232 124 H SER 21 H SER 21 -6.209 -4.422 -9.666 125 HA SER 21 HA SER 21 -7.867 -2.197 -9.434 126 HB2 SER 21 HB2 SER 21 -8.393 -4.877 -10.711 127 HB3 SER 21 HB3 SER 21 -9.267 -3.377 -11.042 128 HG SER 21 HG SER 21 -6.568 -3.073 -11.242 129 H GLY 22 H GLY 22 -9.544 -1.797 -8.171 130 HA2 GLY 22 HA2 GLY 22 -11.508 -2.345 -7.010 131 HA3 GLY 22 HA3 GLY 22 -10.954 -4.007 -6.903 132 H THR 23 H THR 23 -8.400 -1.993 -6.115 133 HA THR 23 HA THR 23 -9.164 -1.970 -3.286 134 HB THR 23 HB THR 23 -6.868 -2.588 -2.619 135 HG1 THR 23 HG1 THR 23 -6.442 -2.749 -5.433 136 HG21 THR 23 HG21 THR 23 -8.072 -4.548 -4.560 137 HG22 THR 23 HG22 THR 23 -8.480 -4.383 -2.850 138 HG23 THR 23 HG23 THR 23 -6.875 -4.934 -3.323 139 H THR 24 H THR 24 -7.771 -0.451 -1.992 140 HA THR 24 HA THR 24 -6.826 1.797 -3.632 141 HB THR 24 HB THR 24 -7.744 3.257 -1.758 142 HG1 THR 24 HG1 THR 24 -8.697 0.763 -1.001 143 HG21 THR 24 HG21 THR 24 -8.751 3.197 -3.975 144 HG22 THR 24 HG22 THR 24 -10.003 3.331 -2.737 145 HG23 THR 24 HG23 THR 24 -9.694 1.775 -3.527 146 H CYS 25 H CYS 25 -4.940 2.764 -2.921 147 HA CYS 25 HA CYS 25 -3.521 1.425 -0.843 148 HB2 CYS 25 HB2 CYS 25 -2.258 2.212 -2.793 149 HB3 CYS 25 HB3 CYS 25 -2.763 3.872 -2.476 150 H GLN 26 H GLN 26 -3.847 1.859 1.164 151 HA GLN 26 HA GLN 26 -4.572 4.580 1.880 152 HB2 GLN 26 HB2 GLN 26 -5.455 1.945 3.018 153 HB3 GLN 26 HB3 GLN 26 -5.651 3.451 3.909 154 HG2 GLN 26 HG2 GLN 26 -7.109 4.343 2.285 155 HG3 GLN 26 HG3 GLN 26 -6.684 3.102 1.116 156 HE21 GLN 26 HE21 GLN 26 -7.669 1.195 1.191 157 HE22 GLN 26 HE22 GLN 26 -9.031 0.821 2.167 158 H VAL 27 H VAL 27 -3.054 5.601 2.848 159 HA VAL 27 HA VAL 27 -0.766 4.241 3.894 160 HB VAL 27 HB VAL 27 -1.363 7.242 3.988 161 HG11 VAL 27 HG11 VAL 27 0.357 6.571 5.512 162 HG12 VAL 27 HG12 VAL 27 0.977 7.574 4.199 163 HG13 VAL 27 HG13 VAL 27 1.250 5.830 4.186 164 HG21 VAL 27 HG21 VAL 27 0.131 5.700 1.877 165 HG22 VAL 27 HG22 VAL 27 -0.035 7.455 1.960 166 HG23 VAL 27 HG23 VAL 27 -1.455 6.448 1.680 167 H LEU 28 H LEU 28 -1.131 3.208 5.690 168 HA LEU 28 HA LEU 28 -2.991 4.080 7.721 169 HB2 LEU 28 HB2 LEU 28 -0.998 1.807 7.787 170 HB3 LEU 28 HB3 LEU 28 -2.358 2.019 8.864 171 HG LEU 28 HG LEU 28 -2.532 1.416 5.906 172 HD11 LEU 28 HD11 LEU 28 -3.138 -0.308 8.300 173 HD12 LEU 28 HD12 LEU 28 -1.758 -0.467 7.215 174 HD13 LEU 28 HD13 LEU 28 -3.392 -0.741 6.609 175 HD21 LEU 28 HD21 LEU 28 -4.395 2.776 6.639 176 HD22 LEU 28 HD22 LEU 28 -4.678 1.666 7.986 177 HD23 LEU 28 HD23 LEU 28 -4.914 1.115 6.322 178 H ASN 29 H ASN 29 0.435 3.527 7.457 179 HA ASN 29 HA ASN 29 0.933 5.425 9.645 180 HB2 ASN 29 HB2 ASN 29 2.615 3.006 8.838 181 HB3 ASN 29 HB3 ASN 29 3.031 4.154 10.091 182 HD21 ASN 29 HD21 ASN 29 1.124 1.449 9.251 183 HD22 ASN 29 HD22 ASN 29 0.561 1.076 10.837 184 HA PRO 30 HA PRO 30 2.945 7.744 6.522 185 HB2 PRO 30 HB2 PRO 30 5.572 7.678 7.780 186 HB3 PRO 30 HB3 PRO 30 4.565 9.075 7.409 187 HG2 PRO 30 HG2 PRO 30 4.891 8.242 9.963 188 HG3 PRO 30 HG3 PRO 30 3.365 8.932 9.386 189 HD2 PRO 30 HD2 PRO 30 4.071 6.077 9.922 190 HD3 PRO 30 HD3 PRO 30 2.534 6.919 10.160 191 H TYR 31 H TYR 31 4.711 4.985 7.651 192 HA TYR 31 HA TYR 31 6.138 4.790 5.089 193 HB2 TYR 31 HB2 TYR 31 6.576 3.252 7.643 194 HB3 TYR 31 HB3 TYR 31 7.628 3.284 6.237 195 HD1 TYR 31 HD1 TYR 31 8.968 5.300 5.751 196 HD2 TYR 31 HD2 TYR 31 6.598 5.048 9.271 197 HE1 TYR 31 HE1 TYR 31 10.197 7.183 6.696 198 HE2 TYR 31 HE2 TYR 31 7.837 6.937 10.242 199 HH TYR 31 HH TYR 31 9.829 8.913 8.388 200 H TYR 32 H TYR 32 3.665 3.285 7.036 201 HA TYR 32 HA TYR 32 3.715 0.946 5.277 202 HB2 TYR 32 HB2 TYR 32 3.828 0.460 7.755 203 HB3 TYR 32 HB3 TYR 32 2.262 1.230 7.901 204 HD1 TYR 32 HD1 TYR 32 0.297 -0.075 7.771 205 HD2 TYR 32 HD2 TYR 32 3.921 -1.563 6.072 206 HE1 TYR 32 HE1 TYR 32 -0.790 -2.234 7.309 207 HE2 TYR 32 HE2 TYR 32 2.824 -3.706 5.609 208 HH TYR 32 HH TYR 32 -0.577 -4.112 5.888 209 H SER 33 H SER 33 2.419 1.137 3.658 210 HA SER 33 HA SER 33 -0.264 2.240 4.071 211 HB2 SER 33 HB2 SER 33 1.401 2.325 1.546 212 HB3 SER 33 HB3 SER 33 -0.156 3.107 1.814 213 HG SER 33 HG SER 33 1.715 4.458 1.982 214 H GLN 34 H GLN 34 -1.867 0.924 3.156 215 HA GLN 34 HA GLN 34 -0.827 -1.537 1.960 216 HB2 GLN 34 HB2 GLN 34 -1.250 -1.808 4.402 217 HB3 GLN 34 HB3 GLN 34 -2.933 -1.406 4.117 218 HG2 GLN 34 HG2 GLN 34 -3.226 -3.379 2.786 219 HG3 GLN 34 HG3 GLN 34 -1.508 -3.773 2.921 220 HE21 GLN 34 HE21 GLN 34 -1.786 -5.722 3.952 221 HE22 GLN 34 HE22 GLN 34 -2.441 -5.870 5.529 222 H CYS 35 H CYS 35 -2.221 -2.540 0.535 223 HA CYS 35 HA CYS 35 -4.207 -0.796 -0.653 224 HB2 CYS 35 HB2 CYS 35 -3.249 -3.541 -1.486 225 HB3 CYS 35 HB3 CYS 35 -4.296 -2.483 -2.427 226 H LEU 36 H LEU 36 -6.084 -0.815 0.351 227 HA LEU 36 HA LEU 36 -7.179 -3.409 1.113 228 HB2 LEU 36 HB2 LEU 36 -7.861 -0.702 2.268 229 HB3 LEU 36 HB3 LEU 36 -8.719 -2.179 2.643 230 HG LEU 36 HG LEU 36 -7.387 -1.850 4.479 231 HD11 LEU 36 HD11 LEU 36 -5.783 -3.709 2.793 232 HD12 LEU 36 HD12 LEU 36 -7.185 -4.098 3.780 233 HD13 LEU 36 HD13 LEU 36 -5.691 -3.563 4.546 234 HD21 LEU 36 HD21 LEU 36 -5.070 -1.107 2.710 235 HD22 LEU 36 HD22 LEU 36 -5.024 -1.233 4.471 236 HD23 LEU 36 HD23 LEU 36 -6.040 -0.015 3.703 Start of MODEL 7 1 H1 THR 1 H1 THR 1 2.490 -5.614 -9.932 2 H2 THR 1 H2 THR 1 3.628 -4.520 -9.338 3 H3 THR 1 H3 THR 1 2.791 -4.202 -10.774 4 HA THR 1 HA THR 1 1.918 -2.916 -8.928 5 HB THR 1 HB THR 1 -0.048 -4.934 -10.047 6 HG1 THR 1 HG1 THR 1 0.326 -4.114 -12.020 7 HG21 THR 1 HG21 THR 1 -0.071 -1.964 -9.589 8 HG22 THR 1 HG22 THR 1 -0.940 -3.153 -8.616 9 HG23 THR 1 HG23 THR 1 -1.405 -2.872 -10.306 10 H GLN 2 H GLN 2 0.614 -3.022 -6.894 11 HA GLN 2 HA GLN 2 1.544 -5.266 -5.316 12 HB2 GLN 2 HB2 GLN 2 1.686 -2.838 -4.582 13 HB3 GLN 2 HB3 GLN 2 -0.058 -2.902 -4.363 14 HG2 GLN 2 HG2 GLN 2 1.070 -3.324 -2.258 15 HG3 GLN 2 HG3 GLN 2 0.193 -4.758 -2.797 16 HE21 GLN 2 HE21 GLN 2 1.380 -6.325 -1.911 17 HE22 GLN 2 HE22 GLN 2 3.056 -6.607 -2.159 18 H SER 3 H SER 3 0.334 -6.644 -4.131 19 HA SER 3 HA SER 3 -2.152 -7.419 -5.227 20 HB2 SER 3 HB2 SER 3 -1.747 -9.163 -3.356 21 HB3 SER 3 HB3 SER 3 -0.640 -9.129 -4.738 22 HG SER 3 HG SER 3 0.080 -8.947 -2.247 23 H HIS 4 H HIS 4 -3.993 -7.847 -3.846 24 HA HIS 4 HA HIS 4 -4.841 -5.760 -2.173 25 HB2 HIS 4 HB2 HIS 4 -6.272 -7.487 -3.451 26 HB3 HIS 4 HB3 HIS 4 -5.904 -8.605 -2.153 27 HD1 HIS 4 HD1 HIS 4 -8.746 -8.368 -2.262 28 HD2 HIS 4 HD2 HIS 4 -6.552 -5.322 -0.476 29 HE1 HIS 4 HE1 HIS 4 -10.391 -7.031 -0.932 30 HE2 HIS 4 HE2 HIS 4 -9.064 -4.977 -0.351 31 H TYR 5 H TYR 5 -4.541 -5.432 -0.014 32 HA TYR 5 HA TYR 5 -3.977 -5.646 2.083 33 HB2 TYR 5 HB2 TYR 5 -3.842 -8.632 1.589 34 HB3 TYR 5 HB3 TYR 5 -3.557 -7.891 3.163 35 HD1 TYR 5 HD1 TYR 5 -6.019 -9.189 0.933 36 HD2 TYR 5 HD2 TYR 5 -5.432 -6.420 4.100 37 HE1 TYR 5 HE1 TYR 5 -8.438 -9.165 1.355 38 HE2 TYR 5 HE2 TYR 5 -7.839 -6.395 4.536 39 HH TYR 5 HH TYR 5 -9.924 -8.661 3.277 40 H GLY 6 H GLY 6 -1.995 -5.724 -0.325 41 HA2 GLY 6 HA2 GLY 6 0.389 -6.316 1.251 42 HA3 GLY 6 HA3 GLY 6 0.336 -6.002 -0.482 43 H GLN 7 H GLN 7 2.209 -4.723 0.938 44 HA GLN 7 HA GLN 7 1.290 -2.100 1.732 45 HB2 GLN 7 HB2 GLN 7 3.233 -3.149 2.851 46 HB3 GLN 7 HB3 GLN 7 4.142 -3.102 1.345 47 HG2 GLN 7 HG2 GLN 7 3.912 -0.603 1.404 48 HG3 GLN 7 HG3 GLN 7 3.159 -0.762 2.988 49 HE21 GLN 7 HE21 GLN 7 5.539 0.670 2.320 50 HE22 GLN 7 HE22 GLN 7 6.840 0.013 3.212 51 H CYS 8 H CYS 8 0.600 -0.821 0.167 52 HA CYS 8 HA CYS 8 1.553 -0.885 -2.533 53 HB2 CYS 8 HB2 CYS 8 0.429 1.472 -2.417 54 HB3 CYS 8 HB3 CYS 8 -0.594 0.001 -2.499 55 H GLY 9 H GLY 9 1.946 1.464 0.054 56 HA2 GLY 9 HA2 GLY 9 4.561 1.955 -0.349 57 HA3 GLY 9 HA3 GLY 9 3.760 2.879 -1.609 58 H GLY 10 H GLY 10 4.928 2.897 1.397 59 HA2 GLY 10 HA2 GLY 10 3.407 5.278 2.100 60 HA3 GLY 10 HA3 GLY 10 4.397 4.305 3.189 61 H ILE 11 H ILE 11 5.633 6.324 3.615 62 HA ILE 11 HA ILE 11 7.286 7.431 1.600 63 HB ILE 11 HB ILE 11 7.698 7.379 4.612 64 HG12 ILE 11 HG12 ILE 11 6.507 9.538 2.853 65 HG13 ILE 11 HG13 ILE 11 5.585 8.451 3.885 66 HG21 ILE 11 HG21 ILE 11 9.790 7.861 3.468 67 HG22 ILE 11 HG22 ILE 11 9.185 9.320 4.256 68 HG23 ILE 11 HG23 ILE 11 9.003 9.115 2.512 69 HD11 ILE 11 HD11 ILE 11 6.668 9.403 5.853 70 HD12 ILE 11 HD12 ILE 11 5.851 10.642 4.898 71 HD13 ILE 11 HD13 ILE 11 7.604 10.482 4.817 72 H GLY 12 H GLY 12 8.912 6.529 0.582 73 HA2 GLY 12 HA2 GLY 12 11.173 5.642 0.771 74 HA3 GLY 12 HA3 GLY 12 10.573 4.607 2.062 75 H TYR 13 H TYR 13 8.111 4.227 0.337 76 HA TYR 13 HA TYR 13 9.145 1.802 -0.873 77 HB2 TYR 13 HB2 TYR 13 6.911 2.048 0.362 78 HB3 TYR 13 HB3 TYR 13 6.323 2.869 -1.071 79 HD1 TYR 13 HD1 TYR 13 6.767 1.429 -3.335 80 HD2 TYR 13 HD2 TYR 13 6.444 -0.184 0.573 81 HE1 TYR 13 HE1 TYR 13 6.151 -0.745 -4.291 82 HE2 TYR 13 HE2 TYR 13 5.835 -2.368 -0.372 83 HH TYR 13 HH TYR 13 4.667 -3.050 -2.698 84 H SER 14 H SER 14 9.641 1.571 -3.013 85 HA SER 14 HA SER 14 8.833 3.730 -4.816 86 HB2 SER 14 HB2 SER 14 11.175 3.675 -5.700 87 HB3 SER 14 HB3 SER 14 10.969 4.359 -4.088 88 HG SER 14 HG SER 14 12.084 2.769 -3.252 89 H GLY 15 H GLY 15 8.256 0.700 -4.432 90 HA2 GLY 15 HA2 GLY 15 8.966 -0.172 -7.160 91 HA3 GLY 15 HA3 GLY 15 8.507 -1.226 -5.826 92 HA PRO 16 HA PRO 16 4.509 -1.098 -7.984 93 HB2 PRO 16 HB2 PRO 16 3.832 -3.094 -5.927 94 HB3 PRO 16 HB3 PRO 16 3.758 -3.236 -7.685 95 HG2 PRO 16 HG2 PRO 16 5.614 -4.541 -6.279 96 HG3 PRO 16 HG3 PRO 16 5.978 -3.834 -7.866 97 HD2 PRO 16 HD2 PRO 16 6.624 -2.777 -5.136 98 HD3 PRO 16 HD3 PRO 16 7.636 -2.856 -6.599 99 H THR 17 H THR 17 4.188 1.016 -7.089 100 HA THR 17 HA THR 17 3.070 1.222 -4.450 101 HB THR 17 HB THR 17 2.923 3.693 -5.153 102 HG1 THR 17 HG1 THR 17 4.734 3.868 -6.881 103 HG21 THR 17 HG21 THR 17 4.631 2.754 -3.658 104 HG22 THR 17 HG22 THR 17 5.321 4.003 -4.706 105 HG23 THR 17 HG23 THR 17 5.599 2.293 -5.056 106 H VAL 18 H VAL 18 1.852 0.513 -7.442 107 HA VAL 18 HA VAL 18 -0.700 1.841 -6.978 108 HB VAL 18 HB VAL 18 0.116 0.096 -9.325 109 HG11 VAL 18 HG11 VAL 18 -2.204 1.994 -8.962 110 HG12 VAL 18 HG12 VAL 18 -2.291 0.232 -9.054 111 HG13 VAL 18 HG13 VAL 18 -1.800 1.169 -10.463 112 HG21 VAL 18 HG21 VAL 18 0.447 2.143 -10.600 113 HG22 VAL 18 HG22 VAL 18 1.505 2.129 -9.180 114 HG23 VAL 18 HG23 VAL 18 0.032 3.094 -9.180 115 H CYS 19 H CYS 19 -2.439 0.727 -6.404 116 HA CYS 19 HA CYS 19 -2.042 -1.957 -5.444 117 HB2 CYS 19 HB2 CYS 19 -4.333 -0.025 -5.205 118 HB3 CYS 19 HB3 CYS 19 -4.314 -1.630 -4.488 119 H ALA 20 H ALA 20 -3.641 -3.568 -5.822 120 HA ALA 20 HA ALA 20 -4.197 -4.223 -8.455 121 HB1 ALA 20 HB1 ALA 20 -5.606 -5.115 -5.934 122 HB2 ALA 20 HB2 ALA 20 -4.150 -5.839 -6.608 123 HB3 ALA 20 HB3 ALA 20 -5.677 -5.943 -7.486 124 H SER 21 H SER 21 -6.224 -4.294 -9.579 125 HA SER 21 HA SER 21 -7.610 -1.898 -9.651 126 HB2 SER 21 HB2 SER 21 -8.362 -4.616 -10.698 127 HB3 SER 21 HB3 SER 21 -9.115 -3.106 -11.193 128 HG SER 21 HG SER 21 -6.785 -2.486 -11.662 129 H GLY 22 H GLY 22 -8.950 -1.133 -8.159 130 HA2 GLY 22 HA2 GLY 22 -11.118 -1.139 -7.212 131 HA3 GLY 22 HA3 GLY 22 -11.064 -2.892 -7.169 132 H THR 23 H THR 23 -8.123 -1.743 -6.100 133 HA THR 23 HA THR 23 -9.110 -1.844 -3.343 134 HB THR 23 HB THR 23 -6.912 -2.769 -2.641 135 HG1 THR 23 HG1 THR 23 -6.369 -2.536 -5.414 136 HG21 THR 23 HG21 THR 23 -8.699 -4.338 -3.181 137 HG22 THR 23 HG22 THR 23 -7.135 -5.003 -3.638 138 HG23 THR 23 HG23 THR 23 -8.204 -4.337 -4.873 139 H THR 24 H THR 24 -8.277 -0.380 -1.839 140 HA THR 24 HA THR 24 -7.178 1.973 -3.161 141 HB THR 24 HB THR 24 -8.051 3.232 -1.188 142 HG1 THR 24 HG1 THR 24 -8.961 0.618 -0.484 143 HG21 THR 24 HG21 THR 24 -10.390 3.116 -1.917 144 HG22 THR 24 HG22 THR 24 -10.037 1.594 -2.740 145 HG23 THR 24 HG23 THR 24 -9.273 3.086 -3.285 146 H CYS 25 H CYS 25 -5.225 2.777 -2.619 147 HA CYS 25 HA CYS 25 -3.719 1.369 -0.640 148 HB2 CYS 25 HB2 CYS 25 -2.552 2.196 -2.637 149 HB3 CYS 25 HB3 CYS 25 -2.999 3.849 -2.231 150 H GLN 26 H GLN 26 -4.195 1.709 1.364 151 HA GLN 26 HA GLN 26 -4.873 4.414 2.241 152 HB2 GLN 26 HB2 GLN 26 -5.358 1.730 3.531 153 HB3 GLN 26 HB3 GLN 26 -5.793 3.278 4.246 154 HG2 GLN 26 HG2 GLN 26 -7.353 3.721 2.456 155 HG3 GLN 26 HG3 GLN 26 -6.849 2.264 1.614 156 HE21 GLN 26 HE21 GLN 26 -8.908 1.443 1.594 157 HE22 GLN 26 HE22 GLN 26 -9.681 0.822 3.003 158 H VAL 27 H VAL 27 -3.253 5.470 3.045 159 HA VAL 27 HA VAL 27 -0.903 4.130 3.973 160 HB VAL 27 HB VAL 27 -1.541 7.128 4.072 161 HG11 VAL 27 HG11 VAL 27 1.056 5.704 4.267 162 HG12 VAL 27 HG12 VAL 27 0.232 6.584 5.553 163 HG13 VAL 27 HG13 VAL 27 0.843 7.451 4.138 164 HG21 VAL 27 HG21 VAL 27 -0.088 5.572 1.949 165 HG22 VAL 27 HG22 VAL 27 -0.275 7.322 2.009 166 HG23 VAL 27 HG23 VAL 27 -1.688 6.293 1.785 167 H LEU 28 H LEU 28 -1.078 3.124 5.805 168 HA LEU 28 HA LEU 28 -2.999 3.892 7.843 169 HB2 LEU 28 HB2 LEU 28 -0.964 1.665 7.889 170 HB3 LEU 28 HB3 LEU 28 -2.346 1.835 8.947 171 HG LEU 28 HG LEU 28 -2.451 1.254 5.984 172 HD11 LEU 28 HD11 LEU 28 -3.041 -0.494 8.359 173 HD12 LEU 28 HD12 LEU 28 -1.652 -0.623 7.283 174 HD13 LEU 28 HD13 LEU 28 -3.269 -0.933 6.666 175 HD21 LEU 28 HD21 LEU 28 -4.842 0.902 6.341 176 HD22 LEU 28 HD22 LEU 28 -4.371 2.569 6.693 177 HD23 LEU 28 HD23 LEU 28 -4.668 1.433 8.015 178 H ASN 29 H ASN 29 0.408 3.704 7.363 179 HA ASN 29 HA ASN 29 0.956 5.397 9.684 180 HB2 ASN 29 HB2 ASN 29 2.503 2.957 8.727 181 HB3 ASN 29 HB3 ASN 29 3.057 4.073 9.961 182 HD21 ASN 29 HD21 ASN 29 2.534 1.200 10.042 183 HD22 ASN 29 HD22 ASN 29 1.414 0.980 11.335 184 HA PRO 30 HA PRO 30 2.953 7.738 6.560 185 HB2 PRO 30 HB2 PRO 30 5.585 7.648 7.792 186 HB3 PRO 30 HB3 PRO 30 4.581 9.055 7.451 187 HG2 PRO 30 HG2 PRO 30 4.926 8.201 9.987 188 HG3 PRO 30 HG3 PRO 30 3.387 8.879 9.434 189 HD2 PRO 30 HD2 PRO 30 4.148 6.037 9.908 190 HD3 PRO 30 HD3 PRO 30 2.599 6.850 10.204 191 H TYR 31 H TYR 31 4.728 4.891 7.590 192 HA TYR 31 HA TYR 31 5.995 4.844 4.948 193 HB2 TYR 31 HB2 TYR 31 6.841 3.321 7.432 194 HB3 TYR 31 HB3 TYR 31 7.721 3.439 5.918 195 HD1 TYR 31 HD1 TYR 31 6.675 5.318 8.931 196 HD2 TYR 31 HD2 TYR 31 9.086 5.347 5.433 197 HE1 TYR 31 HE1 TYR 31 7.842 7.301 9.767 198 HE2 TYR 31 HE2 TYR 31 10.266 7.346 6.267 199 HH TYR 31 HH TYR 31 9.928 8.461 9.483 200 H TYR 32 H TYR 32 3.778 3.194 7.056 201 HA TYR 32 HA TYR 32 3.742 0.929 5.217 202 HB2 TYR 32 HB2 TYR 32 3.984 0.410 7.667 203 HB3 TYR 32 HB3 TYR 32 2.382 1.088 7.912 204 HD1 TYR 32 HD1 TYR 32 4.238 -1.648 6.282 205 HD2 TYR 32 HD2 TYR 32 0.396 -0.184 7.404 206 HE1 TYR 32 HE1 TYR 32 3.249 -3.828 5.748 207 HE2 TYR 32 HE2 TYR 32 -0.588 -2.378 6.877 208 HH TYR 32 HH TYR 32 -0.037 -4.366 5.409 209 H SER 33 H SER 33 2.350 1.054 3.671 210 HA SER 33 HA SER 33 -0.327 2.128 4.202 211 HB2 SER 33 HB2 SER 33 1.211 2.199 1.595 212 HB3 SER 33 HB3 SER 33 -0.355 2.948 1.918 213 HG SER 33 HG SER 33 1.610 4.296 2.003 214 H GLN 34 H GLN 34 -2.007 0.864 3.193 215 HA GLN 34 HA GLN 34 -1.049 -1.690 2.115 216 HB2 GLN 34 HB2 GLN 34 -1.626 -1.869 4.549 217 HB3 GLN 34 HB3 GLN 34 -3.269 -1.400 4.142 218 HG2 GLN 34 HG2 GLN 34 -3.500 -3.394 2.762 219 HG3 GLN 34 HG3 GLN 34 -1.850 -3.864 3.162 220 HE21 GLN 34 HE21 GLN 34 -2.432 -5.769 4.170 221 HE22 GLN 34 HE22 GLN 34 -3.255 -5.811 5.671 222 H CYS 35 H CYS 35 -2.396 -2.623 0.611 223 HA CYS 35 HA CYS 35 -4.344 -0.861 -0.640 224 HB2 CYS 35 HB2 CYS 35 -3.327 -3.583 -1.472 225 HB3 CYS 35 HB3 CYS 35 -4.373 -2.545 -2.432 226 H LEU 36 H LEU 36 -6.276 -0.911 0.305 227 HA LEU 36 HA LEU 36 -7.401 -3.523 0.952 228 HB2 LEU 36 HB2 LEU 36 -8.197 -0.814 2.051 229 HB3 LEU 36 HB3 LEU 36 -9.014 -2.316 2.410 230 HG LEU 36 HG LEU 36 -7.753 -1.928 4.298 231 HD11 LEU 36 HD11 LEU 36 -6.016 -3.576 4.424 232 HD12 LEU 36 HD12 LEU 36 -6.026 -3.716 2.669 233 HD13 LEU 36 HD13 LEU 36 -7.453 -4.176 3.596 234 HD21 LEU 36 HD21 LEU 36 -5.397 -1.155 2.595 235 HD22 LEU 36 HD22 LEU 36 -5.423 -1.229 4.359 236 HD23 LEU 36 HD23 LEU 36 -6.440 -0.064 3.508 Start of MODEL 8 1 H1 THR 1 H1 THR 1 1.078 -4.951 -10.229 2 H2 THR 1 H2 THR 1 2.564 -4.199 -9.937 3 H3 THR 1 H3 THR 1 1.456 -3.500 -10.995 4 HA THR 1 HA THR 1 1.430 -2.407 -8.840 5 HB THR 1 HB THR 1 -1.034 -2.855 -8.364 6 HG1 THR 1 HG1 THR 1 -1.965 -4.022 -10.290 7 HG21 THR 1 HG21 THR 1 -0.223 -2.178 -11.188 8 HG22 THR 1 HG22 THR 1 -0.135 -1.100 -9.814 9 HG23 THR 1 HG23 THR 1 -1.716 -1.672 -10.376 10 H GLN 2 H GLN 2 0.066 -2.841 -6.644 11 HA GLN 2 HA GLN 2 1.317 -5.208 -5.418 12 HB2 GLN 2 HB2 GLN 2 1.635 -2.848 -4.494 13 HB3 GLN 2 HB3 GLN 2 -0.066 -2.914 -4.044 14 HG2 GLN 2 HG2 GLN 2 1.356 -3.538 -2.183 15 HG3 GLN 2 HG3 GLN 2 0.345 -4.888 -2.707 16 HE21 GLN 2 HE21 GLN 2 1.597 -6.507 -2.076 17 HE22 GLN 2 HE22 GLN 2 3.195 -6.832 -2.633 18 H SER 3 H SER 3 0.134 -6.742 -4.349 19 HA SER 3 HA SER 3 -2.501 -7.140 -5.320 20 HB2 SER 3 HB2 SER 3 -2.260 -9.228 -3.859 21 HB3 SER 3 HB3 SER 3 -1.136 -9.054 -5.209 22 HG SER 3 HG SER 3 0.432 -8.979 -3.878 23 H HIS 4 H HIS 4 -4.162 -7.987 -3.719 24 HA HIS 4 HA HIS 4 -4.960 -5.908 -2.013 25 HB2 HIS 4 HB2 HIS 4 -6.411 -7.703 -3.187 26 HB3 HIS 4 HB3 HIS 4 -5.966 -8.760 -1.853 27 HD1 HIS 4 HD1 HIS 4 -8.882 -8.323 -2.036 28 HD2 HIS 4 HD2 HIS 4 -6.449 -5.567 -0.114 29 HE1 HIS 4 HE1 HIS 4 -10.390 -7.013 -0.547 30 HE2 HIS 4 HE2 HIS 4 -8.929 -5.078 0.062 31 H TYR 5 H TYR 5 -4.504 -5.516 0.048 32 HA TYR 5 HA TYR 5 -3.815 -5.616 2.128 33 HB2 TYR 5 HB2 TYR 5 -3.603 -8.607 1.791 34 HB3 TYR 5 HB3 TYR 5 -3.405 -7.762 3.320 35 HD1 TYR 5 HD1 TYR 5 -5.722 -9.171 0.968 36 HD2 TYR 5 HD2 TYR 5 -5.413 -6.573 4.308 37 HE1 TYR 5 HE1 TYR 5 -8.137 -9.383 1.331 38 HE2 TYR 5 HE2 TYR 5 -7.843 -6.772 4.686 39 HH TYR 5 HH TYR 5 -9.766 -9.118 3.003 40 H GLY 6 H GLY 6 -2.036 -5.911 -0.418 41 HA2 GLY 6 HA2 GLY 6 0.457 -6.502 0.911 42 HA3 GLY 6 HA3 GLY 6 0.244 -6.092 -0.795 43 H GLN 7 H GLN 7 2.234 -4.908 0.609 44 HA GLN 7 HA GLN 7 1.292 -2.332 1.558 45 HB2 GLN 7 HB2 GLN 7 3.161 -3.469 2.717 46 HB3 GLN 7 HB3 GLN 7 4.127 -3.361 1.250 47 HG2 GLN 7 HG2 GLN 7 3.934 -0.902 1.349 48 HG3 GLN 7 HG3 GLN 7 3.068 -1.057 2.870 49 HE21 GLN 7 HE21 GLN 7 5.482 0.320 2.299 50 HE22 GLN 7 HE22 GLN 7 6.712 -0.305 3.326 51 H CYS 8 H CYS 8 0.592 -1.034 -0.052 52 HA CYS 8 HA CYS 8 1.851 -0.847 -2.598 53 HB2 CYS 8 HB2 CYS 8 0.658 1.411 -2.636 54 HB3 CYS 8 HB3 CYS 8 -0.391 -0.034 -2.584 55 H GLY 9 H GLY 9 2.275 0.608 0.461 56 HA2 GLY 9 HA2 GLY 9 4.569 1.149 0.973 57 HA3 GLY 9 HA3 GLY 9 4.699 1.740 -0.669 58 H GLY 10 H GLY 10 4.791 2.650 2.309 59 HA2 GLY 10 HA2 GLY 10 3.466 5.186 1.985 60 HA3 GLY 10 HA3 GLY 10 4.290 4.556 3.396 61 H ILE 11 H ILE 11 5.553 6.521 3.425 62 HA ILE 11 HA ILE 11 7.404 7.223 1.442 63 HB ILE 11 HB ILE 11 7.652 7.546 4.453 64 HG12 ILE 11 HG12 ILE 11 6.510 9.462 2.408 65 HG13 ILE 11 HG13 ILE 11 5.545 8.451 3.476 66 HG21 ILE 11 HG21 ILE 11 8.967 9.065 2.195 67 HG22 ILE 11 HG22 ILE 11 9.765 7.936 3.292 68 HG23 ILE 11 HG23 ILE 11 9.107 9.450 3.911 69 HD11 ILE 11 HD11 ILE 11 7.454 10.608 4.327 70 HD12 ILE 11 HD12 ILE 11 6.473 9.614 5.406 71 HD13 ILE 11 HD13 ILE 11 5.697 10.734 4.285 72 H GLY 12 H GLY 12 9.179 6.172 0.744 73 HA2 GLY 12 HA2 GLY 12 11.343 5.172 1.306 74 HA3 GLY 12 HA3 GLY 12 10.518 4.313 2.604 75 H TYR 13 H TYR 13 8.441 4.232 0.142 76 HA TYR 13 HA TYR 13 9.468 1.634 -0.802 77 HB2 TYR 13 HB2 TYR 13 7.354 1.683 0.611 78 HB3 TYR 13 HB3 TYR 13 6.606 2.590 -0.686 79 HD1 TYR 13 HD1 TYR 13 6.480 1.418 -3.003 80 HD2 TYR 13 HD2 TYR 13 7.290 -0.646 0.621 81 HE1 TYR 13 HE1 TYR 13 5.749 -0.681 -4.037 82 HE2 TYR 13 HE2 TYR 13 6.570 -2.756 -0.414 83 HH TYR 13 HH TYR 13 4.915 -3.334 -2.416 84 H SER 14 H SER 14 10.094 1.701 -2.880 85 HA SER 14 HA SER 14 8.961 3.777 -4.606 86 HB2 SER 14 HB2 SER 14 11.181 3.538 -5.816 87 HB3 SER 14 HB3 SER 14 11.248 4.250 -4.203 88 HG SER 14 HG SER 14 12.753 2.402 -4.868 89 H GLY 15 H GLY 15 8.450 0.695 -4.085 90 HA2 GLY 15 HA2 GLY 15 8.774 -0.321 -6.799 91 HA3 GLY 15 HA3 GLY 15 8.199 -1.238 -5.407 92 HA PRO 16 HA PRO 16 4.320 -0.665 -7.835 93 HB2 PRO 16 HB2 PRO 16 3.436 -2.672 -5.853 94 HB3 PRO 16 HB3 PRO 16 3.288 -2.701 -7.611 95 HG2 PRO 16 HG2 PRO 16 5.025 -4.278 -6.381 96 HG3 PRO 16 HG3 PRO 16 5.438 -3.479 -7.912 97 HD2 PRO 16 HD2 PRO 16 6.228 -2.743 -5.114 98 HD3 PRO 16 HD3 PRO 16 7.220 -2.765 -6.590 99 H THR 17 H THR 17 3.909 1.383 -7.005 100 HA THR 17 HA THR 17 2.842 1.556 -4.325 101 HB THR 17 HB THR 17 2.772 4.071 -4.951 102 HG1 THR 17 HG1 THR 17 4.729 3.291 -6.821 103 HG21 THR 17 HG21 THR 17 4.427 3.097 -3.409 104 HG22 THR 17 HG22 THR 17 5.168 4.324 -4.437 105 HG23 THR 17 HG23 THR 17 5.418 2.614 -4.785 106 H VAL 18 H VAL 18 1.672 0.959 -7.346 107 HA VAL 18 HA VAL 18 -0.926 2.177 -6.774 108 HB VAL 18 HB VAL 18 0.013 0.800 -9.315 109 HG11 VAL 18 HG11 VAL 18 -2.408 0.714 -9.059 110 HG12 VAL 18 HG12 VAL 18 -1.975 1.831 -10.356 111 HG13 VAL 18 HG13 VAL 18 -2.456 2.454 -8.780 112 HG21 VAL 18 HG21 VAL 18 0.139 3.054 -10.305 113 HG22 VAL 18 HG22 VAL 18 1.269 2.854 -8.963 114 HG23 VAL 18 HG23 VAL 18 -0.231 3.753 -8.727 115 H CYS 19 H CYS 19 -2.639 0.895 -6.300 116 HA CYS 19 HA CYS 19 -2.003 -1.859 -5.699 117 HB2 CYS 19 HB2 CYS 19 -4.391 -0.159 -5.022 118 HB3 CYS 19 HB3 CYS 19 -4.132 -1.812 -4.475 119 H ALA 20 H ALA 20 -3.571 -3.547 -6.144 120 HA ALA 20 HA ALA 20 -4.199 -3.738 -8.864 121 HB1 ALA 20 HB1 ALA 20 -5.223 -5.873 -8.292 122 HB2 ALA 20 HB2 ALA 20 -5.207 -5.435 -6.584 123 HB3 ALA 20 HB3 ALA 20 -3.687 -5.672 -7.446 124 H SER 21 H SER 21 -6.375 -4.340 -9.687 125 HA SER 21 HA SER 21 -8.071 -2.214 -9.652 126 HB2 SER 21 HB2 SER 21 -8.701 -5.058 -10.403 127 HB3 SER 21 HB3 SER 21 -9.497 -3.599 -11.006 128 HG SER 21 HG SER 21 -7.612 -2.968 -11.960 129 H GLY 22 H GLY 22 -9.240 -1.492 -8.014 130 HA2 GLY 22 HA2 GLY 22 -11.284 -1.644 -6.801 131 HA3 GLY 22 HA3 GLY 22 -11.021 -3.374 -6.650 132 H THR 23 H THR 23 -8.098 -2.428 -5.959 133 HA THR 23 HA THR 23 -8.761 -2.191 -3.120 134 HB THR 23 HB THR 23 -6.456 -2.966 -2.645 135 HG1 THR 23 HG1 THR 23 -6.242 -2.778 -5.459 136 HG21 THR 23 HG21 THR 23 -7.943 -4.693 -4.612 137 HG22 THR 23 HG22 THR 23 -8.188 -4.640 -2.862 138 HG23 THR 23 HG23 THR 23 -6.674 -5.251 -3.522 139 H THR 24 H THR 24 -7.945 -0.569 -1.855 140 HA THR 24 HA THR 24 -6.940 1.705 -3.398 141 HB THR 24 HB THR 24 -7.783 3.045 -1.432 142 HG1 THR 24 HG1 THR 24 -8.731 0.457 -0.662 143 HG21 THR 24 HG21 THR 24 -10.126 2.909 -2.144 144 HG22 THR 24 HG22 THR 24 -9.767 1.400 -2.994 145 HG23 THR 24 HG23 THR 24 -9.015 2.909 -3.516 146 H CYS 25 H CYS 25 -5.042 2.681 -2.858 147 HA CYS 25 HA CYS 25 -3.412 1.348 -0.918 148 HB2 CYS 25 HB2 CYS 25 -2.335 2.168 -2.966 149 HB3 CYS 25 HB3 CYS 25 -2.855 3.810 -2.600 150 H GLN 26 H GLN 26 -3.878 1.734 1.089 151 HA GLN 26 HA GLN 26 -4.592 4.454 1.834 152 HB2 GLN 26 HB2 GLN 26 -5.155 1.836 3.199 153 HB3 GLN 26 HB3 GLN 26 -5.560 3.404 3.866 154 HG2 GLN 26 HG2 GLN 26 -7.036 3.844 1.971 155 HG3 GLN 26 HG3 GLN 26 -6.614 2.280 1.280 156 HE21 GLN 26 HE21 GLN 26 -8.718 1.607 1.302 157 HE22 GLN 26 HE22 GLN 26 -9.556 1.147 2.730 158 H VAL 27 H VAL 27 -3.030 5.535 2.654 159 HA VAL 27 HA VAL 27 -0.702 4.290 3.763 160 HB VAL 27 HB VAL 27 -1.451 7.255 3.786 161 HG11 VAL 27 HG11 VAL 27 0.292 6.660 5.329 162 HG12 VAL 27 HG12 VAL 27 0.854 7.711 4.026 163 HG13 VAL 27 HG13 VAL 27 1.236 5.985 4.000 164 HG21 VAL 27 HG21 VAL 27 -1.483 6.433 1.492 165 HG22 VAL 27 HG22 VAL 27 0.129 5.748 1.712 166 HG23 VAL 27 HG23 VAL 27 -0.102 7.495 1.769 167 H LEU 28 H LEU 28 -1.158 3.249 5.545 168 HA LEU 28 HA LEU 28 -3.161 4.089 7.447 169 HB2 LEU 28 HB2 LEU 28 -1.138 1.875 7.775 170 HB3 LEU 28 HB3 LEU 28 -2.666 2.052 8.606 171 HG LEU 28 HG LEU 28 -2.260 1.325 5.705 172 HD11 LEU 28 HD11 LEU 28 -1.802 -0.468 7.265 173 HD12 LEU 28 HD12 LEU 28 -3.265 -0.789 6.335 174 HD13 LEU 28 HD13 LEU 28 -3.385 -0.243 8.009 175 HD21 LEU 28 HD21 LEU 28 -4.667 1.063 5.573 176 HD22 LEU 28 HD22 LEU 28 -4.236 2.735 5.951 177 HD23 LEU 28 HD23 LEU 28 -4.841 1.665 7.221 178 H ASN 29 H ASN 29 0.265 3.899 7.192 179 HA ASN 29 HA ASN 29 0.658 5.667 9.485 180 HB2 ASN 29 HB2 ASN 29 2.386 3.280 8.727 181 HB3 ASN 29 HB3 ASN 29 2.663 4.371 10.077 182 HD21 ASN 29 HD21 ASN 29 0.922 1.683 8.887 183 HD22 ASN 29 HD22 ASN 29 0.250 1.152 10.374 184 HA PRO 30 HA PRO 30 2.779 7.889 6.380 185 HB2 PRO 30 HB2 PRO 30 5.399 7.915 7.604 186 HB3 PRO 30 HB3 PRO 30 4.319 9.273 7.293 187 HG2 PRO 30 HG2 PRO 30 4.790 8.351 9.815 188 HG3 PRO 30 HG3 PRO 30 3.257 9.092 9.334 189 HD2 PRO 30 HD2 PRO 30 3.920 6.221 9.769 190 HD3 PRO 30 HD3 PRO 30 2.397 7.077 10.048 191 H TYR 31 H TYR 31 4.590 5.118 7.533 192 HA TYR 31 HA TYR 31 5.958 5.005 4.942 193 HB2 TYR 31 HB2 TYR 31 6.706 3.536 7.482 194 HB3 TYR 31 HB3 TYR 31 7.640 3.655 6.003 195 HD1 TYR 31 HD1 TYR 31 6.543 5.484 9.009 196 HD2 TYR 31 HD2 TYR 31 8.902 5.638 5.480 197 HE1 TYR 31 HE1 TYR 31 7.687 7.472 9.868 198 HE2 TYR 31 HE2 TYR 31 10.045 7.631 6.330 199 HH TYR 31 HH TYR 31 9.647 9.419 7.902 200 H TYR 32 H TYR 32 3.692 3.377 6.989 201 HA TYR 32 HA TYR 32 3.755 1.069 5.195 202 HB2 TYR 32 HB2 TYR 32 3.854 0.607 7.669 203 HB3 TYR 32 HB3 TYR 32 2.266 1.324 7.795 204 HD1 TYR 32 HD1 TYR 32 4.085 -1.452 6.127 205 HD2 TYR 32 HD2 TYR 32 0.311 0.006 7.485 206 HE1 TYR 32 HE1 TYR 32 3.069 -3.640 5.654 207 HE2 TYR 32 HE2 TYR 32 -0.697 -2.186 7.013 208 HH TYR 32 HH TYR 32 -0.331 -4.140 5.700 209 H SER 33 H SER 33 2.459 1.194 3.565 210 HA SER 33 HA SER 33 -0.257 2.206 3.955 211 HB2 SER 33 HB2 SER 33 1.418 2.350 1.440 212 HB3 SER 33 HB3 SER 33 -0.194 3.037 1.676 213 HG SER 33 HG SER 33 1.697 4.447 1.883 214 H GLN 34 H GLN 34 -1.821 0.880 2.999 215 HA GLN 34 HA GLN 34 -0.775 -1.620 1.902 216 HB2 GLN 34 HB2 GLN 34 -1.235 -1.803 4.355 217 HB3 GLN 34 HB3 GLN 34 -2.910 -1.410 4.021 218 HG2 GLN 34 HG2 GLN 34 -3.205 -3.424 2.788 219 HG3 GLN 34 HG3 GLN 34 -1.483 -3.802 2.901 220 HE21 GLN 34 HE21 GLN 34 -1.758 -5.719 3.975 221 HE22 GLN 34 HE22 GLN 34 -2.365 -5.812 5.585 222 H CYS 35 H CYS 35 -2.187 -2.682 0.520 223 HA CYS 35 HA CYS 35 -4.153 -0.966 -0.749 224 HB2 CYS 35 HB2 CYS 35 -3.163 -3.722 -1.484 225 HB3 CYS 35 HB3 CYS 35 -4.210 -2.711 -2.475 226 H LEU 36 H LEU 36 -6.038 -0.961 0.253 227 HA LEU 36 HA LEU 36 -7.143 -3.530 1.077 228 HB2 LEU 36 HB2 LEU 36 -7.901 -0.771 2.066 229 HB3 LEU 36 HB3 LEU 36 -8.728 -2.242 2.510 230 HG LEU 36 HG LEU 36 -7.405 -1.797 4.350 231 HD11 LEU 36 HD11 LEU 36 -5.701 -3.477 4.505 232 HD12 LEU 36 HD12 LEU 36 -5.741 -3.688 2.758 233 HD13 LEU 36 HD13 LEU 36 -7.161 -4.088 3.722 234 HD21 LEU 36 HD21 LEU 36 -5.060 -1.133 4.307 235 HD22 LEU 36 HD22 LEU 36 -6.090 0.006 3.444 236 HD23 LEU 36 HD23 LEU 36 -5.094 -1.140 2.542 Start of MODEL 9 1 H1 THR 1 H1 THR 1 3.167 -4.602 -9.431 2 H2 THR 1 H2 THR 1 2.297 -4.264 -10.869 3 H3 THR 1 H3 THR 1 1.954 -5.646 -9.951 4 HA THR 1 HA THR 1 1.544 -2.911 -9.035 5 HB THR 1 HB THR 1 -0.549 -4.948 -9.795 6 HG1 THR 1 HG1 THR 1 -0.554 -4.077 -11.842 7 HG21 THR 1 HG21 THR 1 -1.265 -3.085 -8.451 8 HG22 THR 1 HG22 THR 1 -1.849 -2.801 -10.111 9 HG23 THR 1 HG23 THR 1 -0.396 -1.982 -9.494 10 H GLN 2 H GLN 2 0.475 -2.891 -6.916 11 HA GLN 2 HA GLN 2 1.424 -5.071 -5.315 12 HB2 GLN 2 HB2 GLN 2 1.716 -2.695 -4.676 13 HB3 GLN 2 HB3 GLN 2 -0.020 -2.547 -4.525 14 HG2 GLN 2 HG2 GLN 2 1.159 -2.799 -2.367 15 HG3 GLN 2 HG3 GLN 2 -0.060 -4.031 -2.663 16 HE21 GLN 2 HE21 GLN 2 0.540 -6.112 -2.752 17 HE22 GLN 2 HE22 GLN 2 2.151 -6.666 -2.443 18 H SER 3 H SER 3 0.313 -6.740 -4.781 19 HA SER 3 HA SER 3 -2.360 -7.213 -5.458 20 HB2 SER 3 HB2 SER 3 -0.664 -8.689 -3.455 21 HB3 SER 3 HB3 SER 3 -1.996 -9.337 -4.413 22 HG SER 3 HG SER 3 0.516 -9.359 -5.038 23 H HIS 4 H HIS 4 -3.980 -8.008 -3.837 24 HA HIS 4 HA HIS 4 -4.790 -5.947 -2.101 25 HB2 HIS 4 HB2 HIS 4 -6.233 -7.674 -3.296 26 HB3 HIS 4 HB3 HIS 4 -5.735 -8.819 -2.067 27 HD1 HIS 4 HD1 HIS 4 -8.512 -8.812 -1.796 28 HD2 HIS 4 HD2 HIS 4 -6.449 -5.491 -0.403 29 HE1 HIS 4 HE1 HIS 4 -10.113 -7.598 -0.326 30 HE2 HIS 4 HE2 HIS 4 -8.944 -5.419 0.127 31 H TYR 5 H TYR 5 -4.398 -5.582 -0.005 32 HA TYR 5 HA TYR 5 -3.764 -5.711 2.087 33 HB2 TYR 5 HB2 TYR 5 -3.539 -8.695 1.670 34 HB3 TYR 5 HB3 TYR 5 -3.173 -7.910 3.202 35 HD1 TYR 5 HD1 TYR 5 -5.008 -6.692 4.409 36 HD2 TYR 5 HD2 TYR 5 -5.745 -9.152 1.025 37 HE1 TYR 5 HE1 TYR 5 -7.385 -6.825 5.030 38 HE2 TYR 5 HE2 TYR 5 -8.112 -9.272 1.624 39 HH TYR 5 HH TYR 5 -9.541 -7.254 3.932 40 H GLY 6 H GLY 6 -1.894 -5.855 -0.394 41 HA2 GLY 6 HA2 GLY 6 0.588 -6.304 1.037 42 HA3 GLY 6 HA3 GLY 6 0.414 -5.912 -0.675 43 H GLN 7 H GLN 7 2.278 -4.551 0.651 44 HA GLN 7 HA GLN 7 1.156 -2.063 1.628 45 HB2 GLN 7 HB2 GLN 7 3.031 -3.000 2.809 46 HB3 GLN 7 HB3 GLN 7 3.988 -3.052 1.329 47 HG2 GLN 7 HG2 GLN 7 3.949 -0.595 1.262 48 HG3 GLN 7 HG3 GLN 7 2.984 -0.572 2.734 49 HE21 GLN 7 HE21 GLN 7 5.554 0.585 2.218 50 HE22 GLN 7 HE22 GLN 7 6.653 -0.091 3.352 51 H CYS 8 H CYS 8 0.422 -0.750 0.062 52 HA CYS 8 HA CYS 8 1.374 -0.705 -2.577 53 HB2 CYS 8 HB2 CYS 8 0.383 1.687 -2.446 54 HB3 CYS 8 HB3 CYS 8 -0.729 0.277 -2.460 55 H GLY 9 H GLY 9 1.900 1.632 -0.001 56 HA2 GLY 9 HA2 GLY 9 4.561 1.927 -0.378 57 HA3 GLY 9 HA3 GLY 9 3.836 2.926 -1.630 58 H GLY 10 H GLY 10 4.926 2.767 1.435 59 HA2 GLY 10 HA2 GLY 10 3.612 5.263 2.103 60 HA3 GLY 10 HA3 GLY 10 4.417 4.190 3.248 61 H ILE 11 H ILE 11 5.689 6.273 3.689 62 HA ILE 11 HA ILE 11 7.604 7.230 1.867 63 HB ILE 11 HB ILE 11 7.769 7.158 4.898 64 HG12 ILE 11 HG12 ILE 11 6.810 9.364 3.053 65 HG13 ILE 11 HG13 ILE 11 5.773 8.334 4.033 66 HG21 ILE 11 HG21 ILE 11 9.372 9.002 4.682 67 HG22 ILE 11 HG22 ILE 11 9.295 8.863 2.929 68 HG23 ILE 11 HG23 ILE 11 9.964 7.541 3.885 69 HD11 ILE 11 HD11 ILE 11 6.072 10.517 5.047 70 HD12 ILE 11 HD12 ILE 11 7.823 10.283 5.068 71 HD13 ILE 11 HD13 ILE 11 6.784 9.258 6.058 72 H GLY 12 H GLY 12 9.050 6.094 0.854 73 HA2 GLY 12 HA2 GLY 12 11.269 5.142 1.074 74 HA3 GLY 12 HA3 GLY 12 10.670 4.206 2.433 75 H TYR 13 H TYR 13 8.207 4.088 0.359 76 HA TYR 13 HA TYR 13 9.188 1.561 -0.799 77 HB2 TYR 13 HB2 TYR 13 6.977 1.764 0.520 78 HB3 TYR 13 HB3 TYR 13 6.381 2.652 -0.875 79 HD1 TYR 13 HD1 TYR 13 6.762 -0.539 0.603 80 HD2 TYR 13 HD2 TYR 13 6.474 1.385 -3.166 81 HE1 TYR 13 HE1 TYR 13 6.089 -2.667 -0.419 82 HE2 TYR 13 HE2 TYR 13 5.794 -0.740 -4.203 83 HH TYR 13 HH TYR 13 4.697 -3.301 -2.520 84 H SER 14 H SER 14 9.669 1.486 -2.942 85 HA SER 14 HA SER 14 8.818 3.750 -4.602 86 HB2 SER 14 HB2 SER 14 11.088 3.394 -5.735 87 HB3 SER 14 HB3 SER 14 11.086 4.136 -4.131 88 HG SER 14 HG SER 14 11.970 1.635 -4.955 89 H GLY 15 H GLY 15 8.474 0.504 -4.212 90 HA2 GLY 15 HA2 GLY 15 8.745 -0.306 -6.972 91 HA3 GLY 15 HA3 GLY 15 8.183 -1.295 -5.634 92 HA PRO 16 HA PRO 16 4.214 -0.829 -7.994 93 HB2 PRO 16 HB2 PRO 16 3.507 -2.918 -6.040 94 HB3 PRO 16 HB3 PRO 16 3.366 -2.939 -7.799 95 HG2 PRO 16 HG2 PRO 16 5.193 -4.426 -6.580 96 HG3 PRO 16 HG3 PRO 16 5.576 -3.584 -8.094 97 HD2 PRO 16 HD2 PRO 16 6.288 -2.827 -5.284 98 HD3 PRO 16 HD3 PRO 16 7.282 -2.801 -6.759 99 H THR 17 H THR 17 4.207 1.281 -6.816 100 HA THR 17 HA THR 17 2.887 1.358 -4.323 101 HB THR 17 HB THR 17 2.694 3.850 -4.979 102 HG1 THR 17 HG1 THR 17 3.059 4.084 -7.030 103 HG21 THR 17 HG21 THR 17 5.062 4.226 -4.489 104 HG22 THR 17 HG22 THR 17 5.424 2.550 -4.904 105 HG23 THR 17 HG23 THR 17 4.442 2.909 -3.488 106 H VAL 18 H VAL 18 1.924 1.119 -7.542 107 HA VAL 18 HA VAL 18 -0.769 2.060 -7.189 108 HB VAL 18 HB VAL 18 0.371 0.326 -9.409 109 HG11 VAL 18 HG11 VAL 18 -1.511 1.149 -10.749 110 HG12 VAL 18 HG12 VAL 18 -2.125 2.022 -9.346 111 HG13 VAL 18 HG13 VAL 18 -2.057 0.260 -9.326 112 HG21 VAL 18 HG21 VAL 18 1.611 2.416 -9.259 113 HG22 VAL 18 HG22 VAL 18 0.103 3.333 -9.295 114 HG23 VAL 18 HG23 VAL 18 0.604 2.398 -10.707 115 H CYS 19 H CYS 19 -2.406 0.891 -6.408 116 HA CYS 19 HA CYS 19 -1.967 -1.848 -5.597 117 HB2 CYS 19 HB2 CYS 19 -4.283 0.040 -5.191 118 HB3 CYS 19 HB3 CYS 19 -4.207 -1.593 -4.548 119 H ALA 20 H ALA 20 -3.565 -3.474 -6.009 120 HA ALA 20 HA ALA 20 -4.167 -3.917 -8.693 121 HB1 ALA 20 HB1 ALA 20 -5.383 -5.153 -6.226 122 HB2 ALA 20 HB2 ALA 20 -3.911 -5.688 -7.027 123 HB3 ALA 20 HB3 ALA 20 -5.466 -5.816 -7.856 124 H SER 21 H SER 21 -6.308 -4.165 -9.676 125 HA SER 21 HA SER 21 -7.859 -1.856 -9.461 126 HB2 SER 21 HB2 SER 21 -8.569 -4.482 -10.770 127 HB3 SER 21 HB3 SER 21 -9.175 -2.876 -11.189 128 HG SER 21 HG SER 21 -7.412 -3.769 -12.501 129 H GLY 22 H GLY 22 -9.150 -1.432 -7.790 130 HA2 GLY 22 HA2 GLY 22 -11.285 -1.878 -6.762 131 HA3 GLY 22 HA3 GLY 22 -10.883 -3.590 -6.806 132 H THR 23 H THR 23 -8.105 -2.077 -5.971 133 HA THR 23 HA THR 23 -8.807 -2.201 -3.133 134 HB THR 23 HB THR 23 -6.472 -2.887 -2.634 135 HG1 THR 23 HG1 THR 23 -6.211 -2.602 -5.418 136 HG21 THR 23 HG21 THR 23 -8.119 -4.643 -2.880 137 HG22 THR 23 HG22 THR 23 -6.578 -5.178 -3.539 138 HG23 THR 23 HG23 THR 23 -7.872 -4.668 -4.624 139 H THR 24 H THR 24 -8.115 -0.592 -1.833 140 HA THR 24 HA THR 24 -7.202 1.807 -3.240 141 HB THR 24 HB THR 24 -8.034 2.971 -1.148 142 HG1 THR 24 HG1 THR 24 -8.781 0.301 -0.543 143 HG21 THR 24 HG21 THR 24 -9.340 2.921 -3.207 144 HG22 THR 24 HG22 THR 24 -10.396 2.815 -1.795 145 HG23 THR 24 HG23 THR 24 -10.032 1.368 -2.736 146 H CYS 25 H CYS 25 -5.283 2.772 -2.712 147 HA CYS 25 HA CYS 25 -3.646 1.466 -0.753 148 HB2 CYS 25 HB2 CYS 25 -2.529 2.314 -2.761 149 HB3 CYS 25 HB3 CYS 25 -3.105 3.944 -2.412 150 H GLN 26 H GLN 26 -4.054 1.846 1.248 151 HA GLN 26 HA GLN 26 -4.789 4.569 2.034 152 HB2 GLN 26 HB2 GLN 26 -5.241 1.936 3.455 153 HB3 GLN 26 HB3 GLN 26 -5.734 3.518 4.057 154 HG2 GLN 26 HG2 GLN 26 -7.256 3.799 2.215 155 HG3 GLN 26 HG3 GLN 26 -6.686 2.315 1.470 156 HE21 GLN 26 HE21 GLN 26 -8.707 1.443 1.432 157 HE22 GLN 26 HE22 GLN 26 -9.495 0.865 2.850 158 H VAL 27 H VAL 27 -3.132 5.639 2.764 159 HA VAL 27 HA VAL 27 -0.803 4.289 3.772 160 HB VAL 27 HB VAL 27 -1.354 7.301 3.730 161 HG11 VAL 27 HG11 VAL 27 1.183 5.775 4.027 162 HG12 VAL 27 HG12 VAL 27 0.394 6.784 5.242 163 HG13 VAL 27 HG13 VAL 27 1.080 7.521 3.791 164 HG21 VAL 27 HG21 VAL 27 -1.503 6.373 1.463 165 HG22 VAL 27 HG22 VAL 27 0.085 5.634 1.667 166 HG23 VAL 27 HG23 VAL 27 -0.074 7.389 1.656 167 H LEU 28 H LEU 28 -1.116 3.368 5.626 168 HA LEU 28 HA LEU 28 -3.024 4.316 7.578 169 HB2 LEU 28 HB2 LEU 28 -1.081 2.007 7.726 170 HB3 LEU 28 HB3 LEU 28 -2.462 2.265 8.776 171 HG LEU 28 HG LEU 28 -2.605 1.664 5.816 172 HD11 LEU 28 HD11 LEU 28 -3.507 -0.487 6.496 173 HD12 LEU 28 HD12 LEU 28 -3.245 -0.073 8.188 174 HD13 LEU 28 HD13 LEU 28 -1.868 -0.255 7.100 175 HD21 LEU 28 HD21 LEU 28 -4.993 1.392 6.222 176 HD22 LEU 28 HD22 LEU 28 -4.445 3.042 6.537 177 HD23 LEU 28 HD23 LEU 28 -4.753 1.932 7.887 178 H ASN 29 H ASN 29 0.378 3.620 7.494 179 HA ASN 29 HA ASN 29 0.866 5.577 9.630 180 HB2 ASN 29 HB2 ASN 29 2.448 3.096 8.849 181 HB3 ASN 29 HB3 ASN 29 2.965 4.290 10.027 182 HD21 ASN 29 HD21 ASN 29 2.536 1.450 10.294 183 HD22 ASN 29 HD22 ASN 29 1.399 1.254 11.569 184 HA PRO 30 HA PRO 30 3.063 7.813 6.560 185 HB2 PRO 30 HB2 PRO 30 5.677 7.592 7.842 186 HB3 PRO 30 HB3 PRO 30 4.748 9.045 7.468 187 HG2 PRO 30 HG2 PRO 30 5.010 8.187 10.006 188 HG3 PRO 30 HG3 PRO 30 3.512 8.936 9.423 189 HD2 PRO 30 HD2 PRO 30 4.138 6.069 9.919 190 HD3 PRO 30 HD3 PRO 30 2.625 6.950 10.202 191 H TYR 31 H TYR 31 4.778 4.929 7.669 192 HA TYR 31 HA TYR 31 6.056 4.765 5.033 193 HB2 TYR 31 HB2 TYR 31 6.764 3.126 7.485 194 HB3 TYR 31 HB3 TYR 31 7.695 3.329 6.016 195 HD1 TYR 31 HD1 TYR 31 6.597 5.023 9.110 196 HD2 TYR 31 HD2 TYR 31 9.154 5.221 5.722 197 HE1 TYR 31 HE1 TYR 31 7.808 6.856 10.152 198 HE2 TYR 31 HE2 TYR 31 10.374 7.077 6.753 199 HH TYR 31 HH TYR 31 9.955 8.836 8.491 200 H TYR 32 H TYR 32 3.722 3.267 7.122 201 HA TYR 32 HA TYR 32 3.627 0.948 5.343 202 HB2 TYR 32 HB2 TYR 32 3.750 0.446 7.793 203 HB3 TYR 32 HB3 TYR 32 2.206 1.262 7.988 204 HD1 TYR 32 HD1 TYR 32 3.802 -1.546 6.152 205 HD2 TYR 32 HD2 TYR 32 0.164 0.036 7.747 206 HE1 TYR 32 HE1 TYR 32 2.653 -3.649 5.625 207 HE2 TYR 32 HE2 TYR 32 -0.967 -2.075 7.224 208 HH TYR 32 HH TYR 32 -0.771 -3.963 5.811 209 H SER 33 H SER 33 2.337 1.125 3.765 210 HA SER 33 HA SER 33 -0.336 2.252 4.167 211 HB2 SER 33 HB2 SER 33 1.303 2.211 1.629 212 HB3 SER 33 HB3 SER 33 -0.232 3.045 1.884 213 HG SER 33 HG SER 33 1.696 4.375 2.019 214 H GLN 34 H GLN 34 -1.960 0.997 2.935 215 HA GLN 34 HA GLN 34 -0.938 -1.567 1.979 216 HB2 GLN 34 HB2 GLN 34 -1.467 -1.753 4.409 217 HB3 GLN 34 HB3 GLN 34 -3.132 -1.337 4.038 218 HG2 GLN 34 HG2 GLN 34 -3.374 -3.348 2.727 219 HG3 GLN 34 HG3 GLN 34 -1.677 -3.753 2.995 220 HE21 GLN 34 HE21 GLN 34 -2.050 -5.658 4.066 221 HE22 GLN 34 HE22 GLN 34 -2.779 -5.718 5.624 222 H CYS 35 H CYS 35 -2.278 -2.601 0.539 223 HA CYS 35 HA CYS 35 -4.295 -0.928 -0.727 224 HB2 CYS 35 HB2 CYS 35 -3.167 -3.614 -1.534 225 HB3 CYS 35 HB3 CYS 35 -4.241 -2.627 -2.515 226 H LEU 36 H LEU 36 -6.198 -1.052 0.233 227 HA LEU 36 HA LEU 36 -7.205 -3.690 1.012 228 HB2 LEU 36 HB2 LEU 36 -8.082 -0.974 2.010 229 HB3 LEU 36 HB3 LEU 36 -8.850 -2.483 2.437 230 HG LEU 36 HG LEU 36 -7.586 -1.997 4.279 231 HD11 LEU 36 HD11 LEU 36 -7.236 -4.259 3.681 232 HD12 LEU 36 HD12 LEU 36 -5.771 -3.603 4.411 233 HD13 LEU 36 HD13 LEU 36 -5.865 -3.818 2.665 234 HD21 LEU 36 HD21 LEU 36 -6.318 -0.118 3.401 235 HD22 LEU 36 HD22 LEU 36 -5.260 -1.223 2.528 236 HD23 LEU 36 HD23 LEU 36 -5.274 -1.220 4.294 Start of MODEL 10 1 H1 THR 1 H1 THR 1 1.939 -5.491 -10.006 2 H2 THR 1 H2 THR 1 3.172 -4.372 -9.601 3 H3 THR 1 H3 THR 1 2.113 -4.106 -10.916 4 HA THR 1 HA THR 1 1.511 -2.772 -8.996 5 HB THR 1 HB THR 1 -0.583 -4.764 -9.817 6 HG1 THR 1 HG1 THR 1 -0.539 -3.447 -11.835 7 HG21 THR 1 HG21 THR 1 -1.238 -2.817 -8.503 8 HG22 THR 1 HG22 THR 1 -1.844 -2.634 -10.163 9 HG23 THR 1 HG23 THR 1 -0.386 -1.776 -9.627 10 H GLN 2 H GLN 2 0.437 -2.867 -6.864 11 HA GLN 2 HA GLN 2 1.343 -5.169 -5.371 12 HB2 GLN 2 HB2 GLN 2 1.768 -2.827 -4.636 13 HB3 GLN 2 HB3 GLN 2 0.046 -2.618 -4.445 14 HG2 GLN 2 HG2 GLN 2 1.206 -2.983 -2.306 15 HG3 GLN 2 HG3 GLN 2 -0.014 -4.200 -2.644 16 HE21 GLN 2 HE21 GLN 2 0.591 -6.321 -2.750 17 HE22 GLN 2 HE22 GLN 2 2.212 -6.844 -2.430 18 H SER 3 H SER 3 0.110 -6.719 -4.621 19 HA SER 3 HA SER 3 -2.597 -6.946 -5.339 20 HB2 SER 3 HB2 SER 3 -2.249 -9.076 -3.924 21 HB3 SER 3 HB3 SER 3 -1.328 -8.886 -5.421 22 HG SER 3 HG SER 3 -0.360 -9.313 -3.045 23 H HIS 4 H HIS 4 -4.145 -7.743 -3.689 24 HA HIS 4 HA HIS 4 -4.852 -5.756 -1.842 25 HB2 HIS 4 HB2 HIS 4 -6.334 -7.419 -3.072 26 HB3 HIS 4 HB3 HIS 4 -5.794 -8.620 -1.913 27 HD1 HIS 4 HD1 HIS 4 -8.299 -8.894 -1.223 28 HD2 HIS 4 HD2 HIS 4 -6.718 -5.133 -0.502 29 HE1 HIS 4 HE1 HIS 4 -9.981 -7.717 0.223 30 HE2 HIS 4 HE2 HIS 4 -9.146 -5.357 0.260 31 H TYR 5 H TYR 5 -4.397 -5.514 0.271 32 HA TYR 5 HA TYR 5 -3.601 -5.731 2.294 33 HB2 TYR 5 HB2 TYR 5 -3.771 -8.662 1.689 34 HB3 TYR 5 HB3 TYR 5 -2.920 -8.131 3.130 35 HD1 TYR 5 HD1 TYR 5 -4.214 -8.607 4.970 36 HD2 TYR 5 HD2 TYR 5 -6.116 -6.968 1.539 37 HE1 TYR 5 HE1 TYR 5 -6.340 -8.497 6.204 38 HE2 TYR 5 HE2 TYR 5 -8.238 -6.866 2.756 39 HH TYR 5 HH TYR 5 -9.299 -7.925 4.633 40 H GLY 6 H GLY 6 -1.873 -5.823 -0.294 41 HA2 GLY 6 HA2 GLY 6 0.655 -6.434 1.009 42 HA3 GLY 6 HA3 GLY 6 0.419 -6.024 -0.689 43 H GLN 7 H GLN 7 2.389 -4.796 0.773 44 HA GLN 7 HA GLN 7 1.435 -2.215 1.681 45 HB2 GLN 7 HB2 GLN 7 3.333 -3.374 2.781 46 HB3 GLN 7 HB3 GLN 7 4.235 -3.239 1.271 47 HG2 GLN 7 HG2 GLN 7 4.085 -0.784 1.434 48 HG3 GLN 7 HG3 GLN 7 3.229 -0.945 2.960 49 HE21 GLN 7 HE21 GLN 7 5.653 0.395 2.379 50 HE22 GLN 7 HE22 GLN 7 6.897 -0.266 3.375 51 H CYS 8 H CYS 8 0.629 -1.054 -0.007 52 HA CYS 8 HA CYS 8 1.738 -0.947 -2.605 53 HB2 CYS 8 HB2 CYS 8 0.563 1.367 -2.569 54 HB3 CYS 8 HB3 CYS 8 -0.449 -0.111 -2.596 55 H GLY 9 H GLY 9 2.195 1.103 0.182 56 HA2 GLY 9 HA2 GLY 9 4.726 1.538 0.151 57 HA3 GLY 9 HA3 GLY 9 4.322 2.341 -1.355 58 H GLY 10 H GLY 10 5.033 2.793 1.675 59 HA2 GLY 10 HA2 GLY 10 3.527 5.269 1.857 60 HA3 GLY 10 HA3 GLY 10 4.359 4.447 3.171 61 H ILE 11 H ILE 11 5.604 6.473 3.428 62 HA ILE 11 HA ILE 11 7.545 7.261 1.551 63 HB ILE 11 HB ILE 11 7.752 7.367 4.587 64 HG12 ILE 11 HG12 ILE 11 6.702 9.471 2.686 65 HG13 ILE 11 HG13 ILE 11 5.683 8.428 3.668 66 HG21 ILE 11 HG21 ILE 11 9.887 7.769 3.453 67 HG22 ILE 11 HG22 ILE 11 9.274 9.248 4.197 68 HG23 ILE 11 HG23 ILE 11 9.132 9.011 2.454 69 HD11 ILE 11 HD11 ILE 11 6.651 9.395 5.691 70 HD12 ILE 11 HD12 ILE 11 5.921 10.625 4.666 71 HD13 ILE 11 HD13 ILE 11 7.676 10.435 4.703 72 H GLY 12 H GLY 12 9.443 6.296 0.978 73 HA2 GLY 12 HA2 GLY 12 11.445 5.076 1.458 74 HA3 GLY 12 HA3 GLY 12 10.583 4.273 2.765 75 H TYR 13 H TYR 13 8.389 4.105 0.484 76 HA TYR 13 HA TYR 13 9.460 1.587 -0.619 77 HB2 TYR 13 HB2 TYR 13 7.364 1.544 0.844 78 HB3 TYR 13 HB3 TYR 13 6.575 2.466 -0.419 79 HD1 TYR 13 HD1 TYR 13 6.418 1.374 -2.760 80 HD2 TYR 13 HD2 TYR 13 7.412 -0.783 0.762 81 HE1 TYR 13 HE1 TYR 13 5.759 -0.715 -3.861 82 HE2 TYR 13 HE2 TYR 13 6.761 -2.880 -0.335 83 HH TYR 13 HH TYR 13 5.098 -3.441 -2.262 84 H SER 14 H SER 14 9.540 1.413 -2.872 85 HA SER 14 HA SER 14 8.399 3.625 -4.386 86 HB2 SER 14 HB2 SER 14 10.629 3.810 -5.573 87 HB3 SER 14 HB3 SER 14 10.527 4.471 -3.939 88 HG SER 14 HG SER 14 11.906 2.287 -4.917 89 H GLY 15 H GLY 15 8.055 0.594 -4.166 90 HA2 GLY 15 HA2 GLY 15 8.665 -0.186 -6.916 91 HA3 GLY 15 HA3 GLY 15 8.084 -1.237 -5.629 92 HA PRO 16 HA PRO 16 4.156 -0.749 -7.911 93 HB2 PRO 16 HB2 PRO 16 3.277 -2.809 -6.027 94 HB3 PRO 16 HB3 PRO 16 3.344 -2.875 -7.789 95 HG2 PRO 16 HG2 PRO 16 4.996 -4.327 -6.261 96 HG3 PRO 16 HG3 PRO 16 5.509 -3.624 -7.808 97 HD2 PRO 16 HD2 PRO 16 6.027 -2.650 -5.027 98 HD3 PRO 16 HD3 PRO 16 7.133 -2.774 -6.414 99 H THR 17 H THR 17 3.943 1.312 -6.911 100 HA THR 17 HA THR 17 2.805 1.473 -4.300 101 HB THR 17 HB THR 17 2.655 3.938 -4.936 102 HG1 THR 17 HG1 THR 17 3.595 4.565 -6.789 103 HG21 THR 17 HG21 THR 17 4.488 3.011 -3.613 104 HG22 THR 17 HG22 THR 17 5.101 4.230 -4.738 105 HG23 THR 17 HG23 THR 17 5.312 2.515 -5.086 106 H VAL 18 H VAL 18 1.715 1.038 -7.411 107 HA VAL 18 HA VAL 18 -0.978 1.982 -6.892 108 HB VAL 18 HB VAL 18 0.147 0.507 -9.298 109 HG11 VAL 18 HG11 VAL 18 -2.263 0.259 -9.117 110 HG12 VAL 18 HG12 VAL 18 -1.875 1.341 -10.457 111 HG13 VAL 18 HG13 VAL 18 -2.449 2.002 -8.928 112 HG21 VAL 18 HG21 VAL 18 1.219 2.693 -9.006 113 HG22 VAL 18 HG22 VAL 18 -0.369 3.462 -8.943 114 HG23 VAL 18 HG23 VAL 18 0.174 2.681 -10.428 115 H CYS 19 H CYS 19 -2.607 0.621 -6.332 116 HA CYS 19 HA CYS 19 -1.901 -2.124 -5.708 117 HB2 CYS 19 HB2 CYS 19 -4.388 -0.519 -5.085 118 HB3 CYS 19 HB3 CYS 19 -4.004 -2.122 -4.476 119 H ALA 20 H ALA 20 -3.407 -3.798 -6.309 120 HA ALA 20 HA ALA 20 -4.187 -3.851 -8.980 121 HB1 ALA 20 HB1 ALA 20 -5.539 -5.791 -8.409 122 HB2 ALA 20 HB2 ALA 20 -5.379 -5.423 -6.690 123 HB3 ALA 20 HB3 ALA 20 -3.957 -5.890 -7.636 124 H SER 21 H SER 21 -6.086 -3.390 -10.035 125 HA SER 21 HA SER 21 -7.493 -1.190 -9.111 126 HB2 SER 21 HB2 SER 21 -8.346 -3.114 -11.283 127 HB3 SER 21 HB3 SER 21 -8.832 -1.428 -11.111 128 HG SER 21 HG SER 21 -6.290 -1.273 -11.057 129 H GLY 22 H GLY 22 -9.247 -0.962 -7.893 130 HA2 GLY 22 HA2 GLY 22 -11.425 -1.761 -7.156 131 HA3 GLY 22 HA3 GLY 22 -10.779 -3.389 -7.248 132 H THR 23 H THR 23 -8.217 -2.158 -6.002 133 HA THR 23 HA THR 23 -9.257 -2.135 -3.259 134 HB THR 23 HB THR 23 -7.093 -3.114 -2.508 135 HG1 THR 23 HG1 THR 23 -6.481 -2.952 -5.280 136 HG21 THR 23 HG21 THR 23 -8.415 -4.719 -4.699 137 HG22 THR 23 HG22 THR 23 -8.941 -4.627 -3.017 138 HG23 THR 23 HG23 THR 23 -7.394 -5.372 -3.416 139 H THR 24 H THR 24 -8.296 -0.617 -1.802 140 HA THR 24 HA THR 24 -7.172 1.635 -3.295 141 HB THR 24 HB THR 24 -7.974 3.025 -1.377 142 HG1 THR 24 HG1 THR 24 -8.816 0.480 -0.461 143 HG21 THR 24 HG21 THR 24 -9.259 2.811 -3.436 144 HG22 THR 24 HG22 THR 24 -10.335 2.938 -2.040 145 HG23 THR 24 HG23 THR 24 -10.053 1.370 -2.802 146 H CYS 25 H CYS 25 -5.265 2.543 -2.751 147 HA CYS 25 HA CYS 25 -3.678 1.163 -0.806 148 HB2 CYS 25 HB2 CYS 25 -2.541 1.895 -2.823 149 HB3 CYS 25 HB3 CYS 25 -3.056 3.554 -2.555 150 H GLN 26 H GLN 26 -4.069 1.568 1.210 151 HA GLN 26 HA GLN 26 -4.804 4.278 2.002 152 HB2 GLN 26 HB2 GLN 26 -5.166 1.619 3.374 153 HB3 GLN 26 HB3 GLN 26 -5.639 3.164 4.062 154 HG2 GLN 26 HG2 GLN 26 -7.206 3.519 2.232 155 HG3 GLN 26 HG3 GLN 26 -6.703 2.002 1.497 156 HE21 GLN 26 HE21 GLN 26 -8.768 1.217 1.570 157 HE22 GLN 26 HE22 GLN 26 -9.524 0.703 3.031 158 H VAL 27 H VAL 27 -3.179 5.421 2.715 159 HA VAL 27 HA VAL 27 -0.798 4.178 3.731 160 HB VAL 27 HB VAL 27 -1.456 7.166 3.658 161 HG11 VAL 27 HG11 VAL 27 1.143 5.744 3.887 162 HG12 VAL 27 HG12 VAL 27 0.347 6.712 5.128 163 HG13 VAL 27 HG13 VAL 27 0.951 7.480 3.656 164 HG21 VAL 27 HG21 VAL 27 -1.646 6.250 1.403 165 HG22 VAL 27 HG22 VAL 27 -0.052 5.514 1.562 166 HG23 VAL 27 HG23 VAL 27 -0.215 7.271 1.552 167 H LEU 28 H LEU 28 -1.012 3.306 5.612 168 HA LEU 28 HA LEU 28 -2.932 4.267 7.578 169 HB2 LEU 28 HB2 LEU 28 -1.011 1.948 7.801 170 HB3 LEU 28 HB3 LEU 28 -2.409 2.245 8.811 171 HG LEU 28 HG LEU 28 -2.414 1.425 5.907 172 HD11 LEU 28 HD11 LEU 28 -3.508 -0.593 6.723 173 HD12 LEU 28 HD12 LEU 28 -3.352 -0.009 8.377 174 HD13 LEU 28 HD13 LEU 28 -1.908 -0.379 7.431 175 HD21 LEU 28 HD21 LEU 28 -4.839 1.349 6.083 176 HD22 LEU 28 HD22 LEU 28 -4.223 2.987 6.323 177 HD23 LEU 28 HD23 LEU 28 -4.747 2.025 7.711 178 H ASN 29 H ASN 29 0.487 3.604 7.391 179 HA ASN 29 HA ASN 29 0.978 5.569 9.545 180 HB2 ASN 29 HB2 ASN 29 2.850 3.337 8.569 181 HB3 ASN 29 HB3 ASN 29 3.186 4.479 9.851 182 HD21 ASN 29 HD21 ASN 29 0.177 2.700 9.482 183 HD22 ASN 29 HD22 ASN 29 0.400 1.685 10.856 184 HA PRO 30 HA PRO 30 2.693 7.889 6.182 185 HB2 PRO 30 HB2 PRO 30 5.328 8.144 7.439 186 HB3 PRO 30 HB3 PRO 30 4.210 9.420 6.962 187 HG2 PRO 30 HG2 PRO 30 4.573 8.841 9.560 188 HG3 PRO 30 HG3 PRO 30 2.975 9.282 8.936 189 HD2 PRO 30 HD2 PRO 30 4.064 6.588 9.630 190 HD3 PRO 30 HD3 PRO 30 2.438 7.233 9.909 191 H TYR 31 H TYR 31 4.618 5.335 7.484 192 HA TYR 31 HA TYR 31 6.044 5.017 4.947 193 HB2 TYR 31 HB2 TYR 31 6.609 3.838 7.677 194 HB3 TYR 31 HB3 TYR 31 7.573 3.536 6.234 195 HD1 TYR 31 HD1 TYR 31 6.526 6.158 8.651 196 HD2 TYR 31 HD2 TYR 31 9.236 5.093 5.559 197 HE1 TYR 31 HE1 TYR 31 7.874 8.143 9.157 198 HE2 TYR 31 HE2 TYR 31 10.593 7.071 6.054 199 HH TYR 31 HH TYR 31 10.345 9.196 7.030 200 H TYR 32 H TYR 32 3.603 3.546 6.940 201 HA TYR 32 HA TYR 32 3.722 1.105 5.324 202 HB2 TYR 32 HB2 TYR 32 3.702 0.766 7.860 203 HB3 TYR 32 HB3 TYR 32 2.104 1.477 7.838 204 HD1 TYR 32 HD1 TYR 32 0.246 0.075 7.728 205 HD2 TYR 32 HD2 TYR 32 3.964 -1.257 6.116 206 HE1 TYR 32 HE1 TYR 32 -0.752 -2.112 7.208 207 HE2 TYR 32 HE2 TYR 32 2.966 -3.433 5.602 208 HH TYR 32 HH TYR 32 -0.418 -4.000 5.789 209 H SER 33 H SER 33 2.446 1.124 3.641 210 HA SER 33 HA SER 33 -0.265 2.181 3.965 211 HB2 SER 33 HB2 SER 33 1.412 2.177 1.445 212 HB3 SER 33 HB3 SER 33 -0.192 2.896 1.652 213 HG SER 33 HG SER 33 1.715 4.284 1.757 214 H GLN 34 H GLN 34 -1.855 0.809 3.079 215 HA GLN 34 HA GLN 34 -0.831 -1.710 2.000 216 HB2 GLN 34 HB2 GLN 34 -1.254 -1.903 4.472 217 HB3 GLN 34 HB3 GLN 34 -2.945 -1.537 4.152 218 HG2 GLN 34 HG2 GLN 34 -3.193 -3.522 2.864 219 HG3 GLN 34 HG3 GLN 34 -1.470 -3.899 3.008 220 HE21 GLN 34 HE21 GLN 34 -1.727 -5.842 4.060 221 HE22 GLN 34 HE22 GLN 34 -2.408 -5.966 5.631 222 H CYS 35 H CYS 35 -2.229 -2.744 0.615 223 HA CYS 35 HA CYS 35 -4.246 -1.041 -0.598 224 HB2 CYS 35 HB2 CYS 35 -3.292 -3.790 -1.400 225 HB3 CYS 35 HB3 CYS 35 -4.295 -2.711 -2.365 226 H LEU 36 H LEU 36 -6.150 -1.075 0.401 227 HA LEU 36 HA LEU 36 -7.257 -3.680 1.112 228 HB2 LEU 36 HB2 LEU 36 -7.895 -0.985 2.347 229 HB3 LEU 36 HB3 LEU 36 -8.782 -2.451 2.678 230 HG LEU 36 HG LEU 36 -7.418 -2.163 4.535 231 HD11 LEU 36 HD11 LEU 36 -7.363 -4.420 3.852 232 HD12 LEU 36 HD12 LEU 36 -5.815 -3.969 4.560 233 HD13 LEU 36 HD13 LEU 36 -5.970 -4.133 2.816 234 HD21 LEU 36 HD21 LEU 36 -5.974 -0.415 3.705 235 HD22 LEU 36 HD22 LEU 36 -5.086 -1.589 2.733 236 HD23 LEU 36 HD23 LEU 36 -5.038 -1.683 4.496 Start of MODEL 11 1 H1 THR 1 H1 THR 1 3.358 -4.178 -9.281 2 H2 THR 1 H2 THR 1 2.507 -3.842 -10.722 3 H3 THR 1 H3 THR 1 2.259 -5.296 -9.912 4 HA THR 1 HA THR 1 1.554 -2.653 -8.883 5 HB THR 1 HB THR 1 -0.292 -4.818 -9.869 6 HG1 THR 1 HG1 THR 1 -0.284 -3.614 -11.881 7 HG21 THR 1 HG21 THR 1 -1.244 -3.028 -8.532 8 HG22 THR 1 HG22 THR 1 -1.763 -2.811 -10.216 9 HG23 THR 1 HG23 THR 1 -0.442 -1.839 -9.541 10 H GLN 2 H GLN 2 0.389 -2.832 -6.829 11 HA GLN 2 HA GLN 2 1.370 -5.095 -5.315 12 HB2 GLN 2 HB2 GLN 2 1.765 -2.757 -4.597 13 HB3 GLN 2 HB3 GLN 2 0.039 -2.553 -4.405 14 HG2 GLN 2 HG2 GLN 2 1.208 -2.905 -2.278 15 HG3 GLN 2 HG3 GLN 2 -0.001 -4.135 -2.605 16 HE21 GLN 2 HE21 GLN 2 0.618 -6.228 -2.694 17 HE22 GLN 2 HE22 GLN 2 2.233 -6.754 -2.423 18 H SER 3 H SER 3 0.170 -6.656 -4.583 19 HA SER 3 HA SER 3 -2.515 -7.009 -5.364 20 HB2 SER 3 HB2 SER 3 -2.174 -9.114 -3.950 21 HB3 SER 3 HB3 SER 3 -1.114 -8.884 -5.347 22 HG SER 3 HG SER 3 0.532 -8.667 -4.080 23 H HIS 4 H HIS 4 -4.085 -7.962 -3.649 24 HA HIS 4 HA HIS 4 -4.838 -5.849 -1.914 25 HB2 HIS 4 HB2 HIS 4 -6.368 -7.524 -3.111 26 HB3 HIS 4 HB3 HIS 4 -5.898 -8.683 -1.880 27 HD1 HIS 4 HD1 HIS 4 -8.475 -8.764 -1.232 28 HD2 HIS 4 HD2 HIS 4 -6.620 -5.111 -0.597 29 HE1 HIS 4 HE1 HIS 4 -10.075 -7.429 0.145 30 HE2 HIS 4 HE2 HIS 4 -9.074 -5.122 0.120 31 H TYR 5 H TYR 5 -4.405 -5.544 0.177 32 HA TYR 5 HA TYR 5 -3.666 -5.717 2.225 33 HB2 TYR 5 HB2 TYR 5 -3.539 -8.704 1.772 34 HB3 TYR 5 HB3 TYR 5 -3.140 -7.937 3.304 35 HD1 TYR 5 HD1 TYR 5 -4.920 -6.740 4.569 36 HD2 TYR 5 HD2 TYR 5 -5.776 -9.043 1.116 37 HE1 TYR 5 HE1 TYR 5 -7.296 -6.803 5.206 38 HE2 TYR 5 HE2 TYR 5 -8.138 -9.104 1.729 39 HH TYR 5 HH TYR 5 -9.443 -8.942 3.806 40 H GLY 6 H GLY 6 -1.911 -5.874 -0.334 41 HA2 GLY 6 HA2 GLY 6 0.621 -6.406 0.988 42 HA3 GLY 6 HA3 GLY 6 0.391 -5.959 -0.703 43 H GLN 7 H GLN 7 2.321 -4.719 0.828 44 HA GLN 7 HA GLN 7 1.272 -2.197 1.769 45 HB2 GLN 7 HB2 GLN 7 3.190 -3.178 2.901 46 HB3 GLN 7 HB3 GLN 7 4.112 -3.184 1.397 47 HG2 GLN 7 HG2 GLN 7 3.969 -0.688 1.396 48 HG3 GLN 7 HG3 GLN 7 3.135 -0.768 2.942 49 HE21 GLN 7 HE21 GLN 7 5.580 0.564 2.284 50 HE22 GLN 7 HE22 GLN 7 6.806 -0.074 3.303 51 H CYS 8 H CYS 8 0.477 -0.952 0.169 52 HA CYS 8 HA CYS 8 1.445 -0.883 -2.477 53 HB2 CYS 8 HB2 CYS 8 0.370 1.461 -2.405 54 HB3 CYS 8 HB3 CYS 8 -0.706 0.028 -2.353 55 H GLY 9 H GLY 9 1.927 1.437 0.118 56 HA2 GLY 9 HA2 GLY 9 4.543 1.750 -0.201 57 HA3 GLY 9 HA3 GLY 9 3.896 2.686 -1.541 58 H GLY 10 H GLY 10 4.851 2.684 1.563 59 HA2 GLY 10 HA2 GLY 10 3.521 5.200 2.053 60 HA3 GLY 10 HA3 GLY 10 4.395 4.233 3.245 61 H ILE 11 H ILE 11 5.765 6.188 3.592 62 HA ILE 11 HA ILE 11 7.623 6.989 1.608 63 HB ILE 11 HB ILE 11 7.971 7.030 4.626 64 HG12 ILE 11 HG12 ILE 11 6.936 9.211 2.806 65 HG13 ILE 11 HG13 ILE 11 5.921 8.192 3.820 66 HG21 ILE 11 HG21 ILE 11 9.571 8.855 4.193 67 HG22 ILE 11 HG22 ILE 11 9.346 8.633 2.457 68 HG23 ILE 11 HG23 ILE 11 10.079 7.352 3.422 69 HD11 ILE 11 HD11 ILE 11 7.070 9.061 5.799 70 HD12 ILE 11 HD12 ILE 11 6.277 10.327 4.867 71 HD13 ILE 11 HD13 ILE 11 8.027 10.114 4.756 72 H GLY 12 H GLY 12 9.379 5.934 0.858 73 HA2 GLY 12 HA2 GLY 12 11.394 4.716 1.246 74 HA3 GLY 12 HA3 GLY 12 10.568 3.830 2.524 75 H TYR 13 H TYR 13 8.293 3.972 0.308 76 HA TYR 13 HA TYR 13 9.183 1.485 -0.978 77 HB2 TYR 13 HB2 TYR 13 7.214 1.420 0.691 78 HB3 TYR 13 HB3 TYR 13 6.347 2.356 -0.523 79 HD1 TYR 13 HD1 TYR 13 6.462 1.225 -2.982 80 HD2 TYR 13 HD2 TYR 13 6.878 -0.853 0.695 81 HE1 TYR 13 HE1 TYR 13 5.804 -0.849 -4.089 82 HE2 TYR 13 HE2 TYR 13 6.220 -2.941 -0.409 83 HH TYR 13 HH TYR 13 4.753 -3.473 -2.582 84 H SER 14 H SER 14 9.552 1.796 -3.073 85 HA SER 14 HA SER 14 8.100 3.938 -4.438 86 HB2 SER 14 HB2 SER 14 10.291 4.180 -5.752 87 HB3 SER 14 HB3 SER 14 10.242 4.793 -4.096 88 HG SER 14 HG SER 14 12.023 3.191 -4.993 89 H GLY 15 H GLY 15 8.308 0.701 -4.346 90 HA2 GLY 15 HA2 GLY 15 8.630 0.117 -7.182 91 HA3 GLY 15 HA3 GLY 15 8.285 -1.015 -5.889 92 HA PRO 16 HA PRO 16 4.142 -1.079 -7.791 93 HB2 PRO 16 HB2 PRO 16 3.711 -3.028 -5.627 94 HB3 PRO 16 HB3 PRO 16 3.512 -3.234 -7.369 95 HG2 PRO 16 HG2 PRO 16 5.527 -4.415 -6.097 96 HG3 PRO 16 HG3 PRO 16 5.754 -3.688 -7.704 97 HD2 PRO 16 HD2 PRO 16 6.485 -2.591 -5.019 98 HD3 PRO 16 HD3 PRO 16 7.432 -2.658 -6.523 99 H THR 17 H THR 17 4.024 1.084 -6.844 100 HA THR 17 HA THR 17 2.877 1.285 -4.241 101 HB THR 17 HB THR 17 2.811 3.760 -4.904 102 HG1 THR 17 HG1 THR 17 4.657 3.777 -6.693 103 HG21 THR 17 HG21 THR 17 5.228 3.986 -4.519 104 HG22 THR 17 HG22 THR 17 5.449 2.292 -4.947 105 HG23 THR 17 HG23 THR 17 4.555 2.717 -3.491 106 H VAL 18 H VAL 18 1.813 1.073 -7.468 107 HA VAL 18 HA VAL 18 -0.828 2.099 -6.904 108 HB VAL 18 HB VAL 18 0.156 0.545 -9.327 109 HG11 VAL 18 HG11 VAL 18 -2.339 2.212 -8.953 110 HG12 VAL 18 HG12 VAL 18 -2.278 0.456 -9.099 111 HG13 VAL 18 HG13 VAL 18 -1.825 1.473 -10.468 112 HG21 VAL 18 HG21 VAL 18 -0.157 3.520 -8.955 113 HG22 VAL 18 HG22 VAL 18 0.288 2.712 -10.460 114 HG23 VAL 18 HG23 VAL 18 1.367 2.643 -9.065 115 H CYS 19 H CYS 19 -2.487 0.905 -6.207 116 HA CYS 19 HA CYS 19 -2.032 -1.873 -5.589 117 HB2 CYS 19 HB2 CYS 19 -4.403 -0.078 -5.083 118 HB3 CYS 19 HB3 CYS 19 -4.236 -1.730 -4.495 119 H ALA 20 H ALA 20 -3.373 -3.545 -6.261 120 HA ALA 20 HA ALA 20 -4.020 -3.705 -8.950 121 HB1 ALA 20 HB1 ALA 20 -5.137 -5.794 -8.363 122 HB2 ALA 20 HB2 ALA 20 -5.118 -5.334 -6.662 123 HB3 ALA 20 HB3 ALA 20 -3.603 -5.639 -7.513 124 H SER 21 H SER 21 -6.002 -3.748 -10.046 125 HA SER 21 HA SER 21 -7.720 -1.650 -9.553 126 HB2 SER 21 HB2 SER 21 -8.325 -4.121 -11.170 127 HB3 SER 21 HB3 SER 21 -9.004 -2.503 -11.390 128 HG SER 21 HG SER 21 -6.590 -1.967 -11.512 129 H GLY 22 H GLY 22 -9.187 -1.405 -8.011 130 HA2 GLY 22 HA2 GLY 22 -11.333 -2.082 -7.137 131 HA3 GLY 22 HA3 GLY 22 -10.755 -3.748 -7.159 132 H THR 23 H THR 23 -8.152 -2.129 -6.133 133 HA THR 23 HA THR 23 -9.062 -2.154 -3.351 134 HB THR 23 HB THR 23 -6.777 -2.864 -2.664 135 HG1 THR 23 HG1 THR 23 -6.346 -2.846 -5.468 136 HG21 THR 23 HG21 THR 23 -8.026 -4.712 -4.705 137 HG22 THR 23 HG22 THR 23 -8.473 -4.591 -3.002 138 HG23 THR 23 HG23 THR 23 -6.884 -5.185 -3.448 139 H THR 24 H THR 24 -7.979 -0.604 -1.944 140 HA THR 24 HA THR 24 -7.019 1.687 -3.504 141 HB THR 24 HB THR 24 -7.932 3.105 -1.682 142 HG1 THR 24 HG1 THR 24 -8.765 0.568 -0.694 143 HG21 THR 24 HG21 THR 24 -9.222 2.773 -3.713 144 HG22 THR 24 HG22 THR 24 -10.305 2.862 -2.319 145 HG23 THR 24 HG23 THR 24 -9.924 1.297 -3.048 146 H CYS 25 H CYS 25 -5.196 2.767 -2.784 147 HA CYS 25 HA CYS 25 -3.649 1.359 -0.825 148 HB2 CYS 25 HB2 CYS 25 -2.442 2.217 -2.768 149 HB3 CYS 25 HB3 CYS 25 -2.983 3.854 -2.411 150 H GLN 26 H GLN 26 -3.986 1.708 1.203 151 HA GLN 26 HA GLN 26 -4.824 4.385 2.049 152 HB2 GLN 26 HB2 GLN 26 -5.205 1.701 3.384 153 HB3 GLN 26 HB3 GLN 26 -5.752 3.243 4.030 154 HG2 GLN 26 HG2 GLN 26 -7.264 3.543 2.178 155 HG3 GLN 26 HG3 GLN 26 -6.656 2.083 1.404 156 HE21 GLN 26 HE21 GLN 26 -8.699 1.185 1.341 157 HE22 GLN 26 HE22 GLN 26 -9.486 0.587 2.749 158 H VAL 27 H VAL 27 -3.205 5.514 2.845 159 HA VAL 27 HA VAL 27 -0.874 4.187 3.866 160 HB VAL 27 HB VAL 27 -1.463 7.190 3.721 161 HG11 VAL 27 HG11 VAL 27 1.138 5.791 4.116 162 HG12 VAL 27 HG12 VAL 27 0.242 6.705 5.328 163 HG13 VAL 27 HG13 VAL 27 0.902 7.527 3.911 164 HG21 VAL 27 HG21 VAL 27 -0.096 7.205 1.701 165 HG22 VAL 27 HG22 VAL 27 -1.519 6.176 1.504 166 HG23 VAL 27 HG23 VAL 27 0.061 5.450 1.795 167 H LEU 28 H LEU 28 -1.001 3.374 5.765 168 HA LEU 28 HA LEU 28 -2.907 4.289 7.757 169 HB2 LEU 28 HB2 LEU 28 -0.889 2.037 7.814 170 HB3 LEU 28 HB3 LEU 28 -2.168 2.285 8.985 171 HG LEU 28 HG LEU 28 -2.637 1.664 6.060 172 HD11 LEU 28 HD11 LEU 28 -2.827 -0.135 8.465 173 HD12 LEU 28 HD12 LEU 28 -1.608 -0.222 7.192 174 HD13 LEU 28 HD13 LEU 28 -3.297 -0.553 6.816 175 HD21 LEU 28 HD21 LEU 28 -4.455 2.904 7.078 176 HD22 LEU 28 HD22 LEU 28 -4.478 1.755 8.423 177 HD23 LEU 28 HD23 LEU 28 -4.925 1.219 6.801 178 H ASN 29 H ASN 29 0.528 3.686 7.544 179 HA ASN 29 HA ASN 29 1.045 5.777 9.550 180 HB2 ASN 29 HB2 ASN 29 2.684 3.295 8.876 181 HB3 ASN 29 HB3 ASN 29 3.230 4.587 9.925 182 HD21 ASN 29 HD21 ASN 29 2.899 1.805 10.490 183 HD22 ASN 29 HD22 ASN 29 1.797 1.690 11.801 184 HA PRO 30 HA PRO 30 3.022 7.930 6.291 185 HB2 PRO 30 HB2 PRO 30 5.658 7.910 7.583 186 HB3 PRO 30 HB3 PRO 30 4.677 9.287 7.083 187 HG2 PRO 30 HG2 PRO 30 4.949 8.647 9.681 188 HG3 PRO 30 HG3 PRO 30 3.430 9.292 9.037 189 HD2 PRO 30 HD2 PRO 30 4.146 6.509 9.783 190 HD3 PRO 30 HD3 PRO 30 2.595 7.357 9.946 191 H TYR 31 H TYR 31 4.870 5.242 7.568 192 HA TYR 31 HA TYR 31 6.152 4.879 4.960 193 HB2 TYR 31 HB2 TYR 31 6.752 3.550 7.612 194 HB3 TYR 31 HB3 TYR 31 7.684 3.370 6.134 195 HD1 TYR 31 HD1 TYR 31 6.696 5.825 8.758 196 HD2 TYR 31 HD2 TYR 31 9.382 4.942 5.578 197 HE1 TYR 31 HE1 TYR 31 8.087 7.726 9.416 198 HE2 TYR 31 HE2 TYR 31 10.777 6.859 6.230 199 HH TYR 31 HH TYR 31 10.392 8.410 9.191 200 H TYR 32 H TYR 32 3.734 3.516 7.047 201 HA TYR 32 HA TYR 32 3.728 1.065 5.440 202 HB2 TYR 32 HB2 TYR 32 3.876 0.701 7.906 203 HB3 TYR 32 HB3 TYR 32 2.306 1.477 8.069 204 HD1 TYR 32 HD1 TYR 32 3.884 -1.275 6.121 205 HD2 TYR 32 HD2 TYR 32 0.409 0.093 8.180 206 HE1 TYR 32 HE1 TYR 32 2.817 -3.449 5.741 207 HE2 TYR 32 HE2 TYR 32 -0.658 -2.083 7.810 208 HH TYR 32 HH TYR 32 -0.508 -4.004 6.312 209 H SER 33 H SER 33 2.395 1.050 3.857 210 HA SER 33 HA SER 33 -0.289 2.167 4.215 211 HB2 SER 33 HB2 SER 33 1.360 2.185 1.685 212 HB3 SER 33 HB3 SER 33 -0.215 2.952 1.934 213 HG SER 33 HG SER 33 1.695 4.327 2.070 214 H GLN 34 H GLN 34 -1.899 0.852 3.142 215 HA GLN 34 HA GLN 34 -0.853 -1.659 2.076 216 HB2 GLN 34 HB2 GLN 34 -1.338 -1.865 4.546 217 HB3 GLN 34 HB3 GLN 34 -3.022 -1.527 4.175 218 HG2 GLN 34 HG2 GLN 34 -3.236 -3.537 2.943 219 HG3 GLN 34 HG3 GLN 34 -1.502 -3.865 3.040 220 HE21 GLN 34 HE21 GLN 34 -1.714 -5.832 4.112 221 HE22 GLN 34 HE22 GLN 34 -2.321 -5.939 5.724 222 H CYS 35 H CYS 35 -2.197 -2.673 0.624 223 HA CYS 35 HA CYS 35 -4.190 -0.974 -0.623 224 HB2 CYS 35 HB2 CYS 35 -3.141 -3.691 -1.419 225 HB3 CYS 35 HB3 CYS 35 -4.251 -2.716 -2.372 226 H LEU 36 H LEU 36 -6.101 -1.004 0.308 227 HA LEU 36 HA LEU 36 -7.241 -3.608 0.956 228 HB2 LEU 36 HB2 LEU 36 -7.949 -0.925 2.173 229 HB3 LEU 36 HB3 LEU 36 -8.810 -2.414 2.480 230 HG LEU 36 HG LEU 36 -7.515 -2.111 4.376 231 HD11 LEU 36 HD11 LEU 36 -5.916 -3.965 2.690 232 HD12 LEU 36 HD12 LEU 36 -7.345 -4.347 3.650 233 HD13 LEU 36 HD13 LEU 36 -5.856 -3.845 4.447 234 HD21 LEU 36 HD21 LEU 36 -5.155 -1.530 4.429 235 HD22 LEU 36 HD22 LEU 36 -6.112 -0.292 3.614 236 HD23 LEU 36 HD23 LEU 36 -5.141 -1.422 2.668 Start of MODEL 12 1 H1 THR 1 H1 THR 1 3.459 -4.349 -9.443 2 H2 THR 1 H2 THR 1 2.433 -4.176 -10.811 3 H3 THR 1 H3 THR 1 2.317 -5.539 -9.825 4 HA THR 1 HA THR 1 1.703 -2.817 -8.965 5 HB THR 1 HB THR 1 -0.254 -5.032 -9.567 6 HG1 THR 1 HG1 THR 1 -0.333 -3.525 -11.641 7 HG21 THR 1 HG21 THR 1 -1.025 -3.057 -8.351 8 HG22 THR 1 HG22 THR 1 -1.726 -3.055 -9.981 9 HG23 THR 1 HG23 THR 1 -0.334 -2.027 -9.590 10 H GLN 2 H GLN 2 0.215 -3.108 -6.873 11 HA GLN 2 HA GLN 2 1.389 -5.283 -5.278 12 HB2 GLN 2 HB2 GLN 2 1.671 -2.888 -4.519 13 HB3 GLN 2 HB3 GLN 2 -0.075 -2.841 -4.279 14 HG2 GLN 2 HG2 GLN 2 0.963 -3.335 -2.190 15 HG3 GLN 2 HG3 GLN 2 0.124 -4.777 -2.762 16 HE21 GLN 2 HE21 GLN 2 1.310 -6.334 -1.866 17 HE22 GLN 2 HE22 GLN 2 3.002 -6.572 -2.063 18 H SER 3 H SER 3 0.184 -6.840 -4.460 19 HA SER 3 HA SER 3 -2.476 -7.222 -5.322 20 HB2 SER 3 HB2 SER 3 -0.858 -8.709 -3.259 21 HB3 SER 3 HB3 SER 3 -2.288 -9.310 -4.094 22 HG SER 3 HG SER 3 -1.176 -9.238 -6.016 23 H HIS 4 H HIS 4 -4.214 -7.830 -3.792 24 HA HIS 4 HA HIS 4 -4.982 -5.773 -2.040 25 HB2 HIS 4 HB2 HIS 4 -6.488 -7.402 -3.252 26 HB3 HIS 4 HB3 HIS 4 -6.002 -8.636 -2.111 27 HD1 HIS 4 HD1 HIS 4 -8.722 -8.703 -1.735 28 HD2 HIS 4 HD2 HIS 4 -6.752 -5.327 -0.317 29 HE1 HIS 4 HE1 HIS 4 -10.323 -7.591 -0.182 30 HE2 HIS 4 HE2 HIS 4 -9.161 -5.503 0.581 31 H TYR 5 H TYR 5 -4.666 -5.457 0.103 32 HA TYR 5 HA TYR 5 -4.031 -5.636 2.201 33 HB2 TYR 5 HB2 TYR 5 -3.853 -8.619 1.718 34 HB3 TYR 5 HB3 TYR 5 -3.509 -7.871 3.269 35 HD1 TYR 5 HD1 TYR 5 -6.032 -9.156 1.087 36 HD2 TYR 5 HD2 TYR 5 -5.393 -6.573 4.405 37 HE1 TYR 5 HE1 TYR 5 -8.411 -9.296 1.647 38 HE2 TYR 5 HE2 TYR 5 -7.775 -6.712 4.979 39 HH TYR 5 HH TYR 5 -9.822 -9.039 3.582 40 H GLY 6 H GLY 6 -2.166 -5.764 -0.274 41 HA2 GLY 6 HA2 GLY 6 0.308 -6.353 1.142 42 HA3 GLY 6 HA3 GLY 6 0.119 -6.004 -0.579 43 H GLN 7 H GLN 7 2.086 -4.763 0.697 44 HA GLN 7 HA GLN 7 1.168 -2.168 1.612 45 HB2 GLN 7 HB2 GLN 7 3.032 -3.251 2.796 46 HB3 GLN 7 HB3 GLN 7 3.972 -3.264 1.310 47 HG2 GLN 7 HG2 GLN 7 3.896 -0.814 1.247 48 HG3 GLN 7 HG3 GLN 7 3.001 -0.814 2.758 49 HE21 GLN 7 HE21 GLN 7 5.518 0.382 2.110 50 HE22 GLN 7 HE22 GLN 7 6.683 -0.248 3.217 51 H CYS 8 H CYS 8 0.493 -0.883 0.005 52 HA CYS 8 HA CYS 8 1.695 -0.777 -2.573 53 HB2 CYS 8 HB2 CYS 8 0.595 1.546 -2.585 54 HB3 CYS 8 HB3 CYS 8 -0.499 0.137 -2.540 55 H GLY 9 H GLY 9 2.219 0.766 0.447 56 HA2 GLY 9 HA2 GLY 9 4.603 1.212 0.815 57 HA3 GLY 9 HA3 GLY 9 4.587 1.883 -0.804 58 H GLY 10 H GLY 10 4.802 2.633 2.257 59 HA2 GLY 10 HA2 GLY 10 3.457 5.174 2.116 60 HA3 GLY 10 HA3 GLY 10 4.380 4.488 3.441 61 H ILE 11 H ILE 11 5.607 6.508 3.457 62 HA ILE 11 HA ILE 11 7.398 7.294 1.434 63 HB ILE 11 HB ILE 11 7.857 7.388 4.439 64 HG12 ILE 11 HG12 ILE 11 6.597 9.490 2.659 65 HG13 ILE 11 HG13 ILE 11 5.716 8.436 3.755 66 HG21 ILE 11 HG21 ILE 11 9.058 9.038 2.219 67 HG22 ILE 11 HG22 ILE 11 9.881 7.805 3.181 68 HG23 ILE 11 HG23 ILE 11 9.323 9.294 3.946 69 HD11 ILE 11 HD11 ILE 11 6.883 9.428 5.653 70 HD12 ILE 11 HD12 ILE 11 6.027 10.648 4.709 71 HD13 ILE 11 HD13 ILE 11 7.776 10.477 4.551 72 H GLY 12 H GLY 12 9.193 6.340 0.624 73 HA2 GLY 12 HA2 GLY 12 11.324 5.304 1.051 74 HA3 GLY 12 HA3 GLY 12 10.540 4.362 2.316 75 H TYR 13 H TYR 13 8.238 4.001 0.430 76 HA TYR 13 HA TYR 13 9.417 1.676 -0.941 77 HB2 TYR 13 HB2 TYR 13 7.608 1.325 0.775 78 HB3 TYR 13 HB3 TYR 13 6.527 2.255 -0.240 79 HD1 TYR 13 HD1 TYR 13 7.454 -0.956 0.710 80 HD2 TYR 13 HD2 TYR 13 6.358 1.240 -2.759 81 HE1 TYR 13 HE1 TYR 13 6.732 -3.041 -0.378 82 HE2 TYR 13 HE2 TYR 13 5.637 -0.828 -3.849 83 HH TYR 13 HH TYR 13 4.895 -3.502 -2.403 84 H SER 14 H SER 14 9.797 2.093 -3.041 85 HA SER 14 HA SER 14 8.002 3.970 -4.389 86 HB2 SER 14 HB2 SER 14 10.106 4.425 -5.806 87 HB3 SER 14 HB3 SER 14 9.991 5.147 -4.198 88 HG SER 14 HG SER 14 11.649 4.076 -3.635 89 H GLY 15 H GLY 15 8.390 0.861 -4.238 90 HA2 GLY 15 HA2 GLY 15 8.677 0.183 -7.051 91 HA3 GLY 15 HA3 GLY 15 8.340 -0.906 -5.717 92 HA PRO 16 HA PRO 16 4.181 -1.049 -7.621 93 HB2 PRO 16 HB2 PRO 16 3.801 -2.861 -5.310 94 HB3 PRO 16 HB3 PRO 16 3.495 -3.151 -7.029 95 HG2 PRO 16 HG2 PRO 16 5.573 -4.307 -5.858 96 HG3 PRO 16 HG3 PRO 16 5.740 -3.591 -7.479 97 HD2 PRO 16 HD2 PRO 16 6.565 -2.464 -4.834 98 HD3 PRO 16 HD3 PRO 16 7.466 -2.560 -6.362 99 H THR 17 H THR 17 4.058 1.182 -6.822 100 HA THR 17 HA THR 17 2.810 1.590 -4.274 101 HB THR 17 HB THR 17 2.706 3.999 -5.255 102 HG1 THR 17 HG1 THR 17 4.832 3.543 -6.813 103 HG21 THR 17 HG21 THR 17 5.078 4.355 -4.693 104 HG22 THR 17 HG22 THR 17 5.356 2.616 -4.787 105 HG23 THR 17 HG23 THR 17 4.310 3.272 -3.532 106 H VAL 18 H VAL 18 1.858 0.906 -7.415 107 HA VAL 18 HA VAL 18 -0.818 2.017 -7.126 108 HB VAL 18 HB VAL 18 0.348 0.354 -9.396 109 HG11 VAL 18 HG11 VAL 18 -1.557 1.156 -10.716 110 HG12 VAL 18 HG12 VAL 18 -2.190 1.988 -9.298 111 HG13 VAL 18 HG13 VAL 18 -2.091 0.226 -9.312 112 HG21 VAL 18 HG21 VAL 18 0.520 2.464 -10.639 113 HG22 VAL 18 HG22 VAL 18 1.505 2.486 -9.174 114 HG23 VAL 18 HG23 VAL 18 -0.037 3.341 -9.214 115 H CYS 19 H CYS 19 -2.534 0.795 -6.570 116 HA CYS 19 HA CYS 19 -1.995 -1.939 -5.732 117 HB2 CYS 19 HB2 CYS 19 -4.377 -0.149 -5.262 118 HB3 CYS 19 HB3 CYS 19 -4.155 -1.752 -4.571 119 H ALA 20 H ALA 20 -3.487 -3.647 -6.272 120 HA ALA 20 HA ALA 20 -4.163 -3.796 -8.992 121 HB1 ALA 20 HB1 ALA 20 -5.159 -5.498 -6.702 122 HB2 ALA 20 HB2 ALA 20 -3.673 -5.767 -7.616 123 HB3 ALA 20 HB3 ALA 20 -5.237 -5.920 -8.415 124 H SER 21 H SER 21 -6.313 -4.140 -9.909 125 HA SER 21 HA SER 21 -8.021 -2.024 -9.540 126 HB2 SER 21 HB2 SER 21 -8.655 -4.727 -10.715 127 HB3 SER 21 HB3 SER 21 -9.490 -3.206 -11.056 128 HG SER 21 HG SER 21 -8.104 -3.162 -12.613 129 H GLY 22 H GLY 22 -9.424 -1.568 -8.014 130 HA2 GLY 22 HA2 GLY 22 -11.423 -2.083 -6.822 131 HA3 GLY 22 HA3 GLY 22 -10.862 -3.743 -6.674 132 H THR 23 H THR 23 -8.115 -2.394 -6.035 133 HA THR 23 HA THR 23 -8.797 -2.134 -3.197 134 HB THR 23 HB THR 23 -6.503 -2.882 -2.663 135 HG1 THR 23 HG1 THR 23 -6.222 -2.798 -5.486 136 HG21 THR 23 HG21 THR 23 -8.230 -4.579 -2.894 137 HG22 THR 23 HG22 THR 23 -6.682 -5.194 -3.457 138 HG23 THR 23 HG23 THR 23 -7.908 -4.691 -4.624 139 H THR 24 H THR 24 -7.962 -0.483 -1.961 140 HA THR 24 HA THR 24 -6.935 1.790 -3.509 141 HB THR 24 HB THR 24 -7.833 3.143 -1.550 142 HG1 THR 24 HG1 THR 24 -8.757 0.561 -0.820 143 HG21 THR 24 HG21 THR 24 -8.937 3.074 -3.716 144 HG22 THR 24 HG22 THR 24 -10.135 3.114 -2.421 145 HG23 THR 24 HG23 THR 24 -9.780 1.596 -3.257 146 H CYS 25 H CYS 25 -5.071 2.787 -2.902 147 HA CYS 25 HA CYS 25 -3.479 1.496 -0.900 148 HB2 CYS 25 HB2 CYS 25 -2.355 2.309 -2.930 149 HB3 CYS 25 HB3 CYS 25 -2.887 3.952 -2.581 150 H GLN 26 H GLN 26 -3.897 1.894 1.107 151 HA GLN 26 HA GLN 26 -4.603 4.631 1.868 152 HB2 GLN 26 HB2 GLN 26 -5.266 2.046 3.279 153 HB3 GLN 26 HB3 GLN 26 -5.740 3.653 3.809 154 HG2 GLN 26 HG2 GLN 26 -7.073 3.927 1.765 155 HG3 GLN 26 HG3 GLN 26 -6.625 2.302 1.262 156 HE21 GLN 26 HE21 GLN 26 -8.746 1.632 1.241 157 HE22 GLN 26 HE22 GLN 26 -9.624 1.317 2.696 158 H VAL 27 H VAL 27 -3.037 5.640 2.828 159 HA VAL 27 HA VAL 27 -0.755 4.277 3.874 160 HB VAL 27 HB VAL 27 -1.440 7.255 4.020 161 HG11 VAL 27 HG11 VAL 27 1.183 5.892 4.330 162 HG12 VAL 27 HG12 VAL 27 0.239 6.678 5.595 163 HG13 VAL 27 HG13 VAL 27 0.915 7.635 4.271 164 HG21 VAL 27 HG21 VAL 27 -1.426 6.526 1.696 165 HG22 VAL 27 HG22 VAL 27 0.159 5.793 1.929 166 HG23 VAL 27 HG23 VAL 27 -0.029 7.545 2.045 167 H LEU 28 H LEU 28 -0.962 3.278 5.735 168 HA LEU 28 HA LEU 28 -2.942 4.113 7.719 169 HB2 LEU 28 HB2 LEU 28 -1.028 1.778 7.781 170 HB3 LEU 28 HB3 LEU 28 -2.409 2.019 8.825 171 HG LEU 28 HG LEU 28 -2.512 1.448 5.862 172 HD11 LEU 28 HD11 LEU 28 -3.263 -0.247 8.228 173 HD12 LEU 28 HD12 LEU 28 -1.833 -0.446 7.219 174 HD13 LEU 28 HD13 LEU 28 -3.440 -0.687 6.526 175 HD21 LEU 28 HD21 LEU 28 -4.718 1.750 7.874 176 HD22 LEU 28 HD22 LEU 28 -4.908 1.235 6.190 177 HD23 LEU 28 HD23 LEU 28 -4.347 2.873 6.558 178 H ASN 29 H ASN 29 0.457 3.674 7.303 179 HA ASN 29 HA ASN 29 1.026 5.349 9.632 180 HB2 ASN 29 HB2 ASN 29 2.648 2.955 8.653 181 HB3 ASN 29 HB3 ASN 29 3.057 4.012 9.990 182 HD21 ASN 29 HD21 ASN 29 1.076 1.420 8.933 183 HD22 ASN 29 HD22 ASN 29 0.514 0.915 10.467 184 HA PRO 30 HA PRO 30 3.023 7.742 6.559 185 HB2 PRO 30 HB2 PRO 30 5.660 7.616 7.768 186 HB3 PRO 30 HB3 PRO 30 4.650 9.032 7.487 187 HG2 PRO 30 HG2 PRO 30 5.037 8.061 9.984 188 HG3 PRO 30 HG3 PRO 30 3.504 8.801 9.492 189 HD2 PRO 30 HD2 PRO 30 4.192 5.914 9.849 190 HD3 PRO 30 HD3 PRO 30 2.678 6.758 10.178 191 H TYR 31 H TYR 31 4.880 4.952 7.606 192 HA TYR 31 HA TYR 31 6.113 4.851 4.961 193 HB2 TYR 31 HB2 TYR 31 6.900 3.356 7.474 194 HB3 TYR 31 HB3 TYR 31 7.768 3.365 5.949 195 HD1 TYR 31 HD1 TYR 31 9.173 5.196 5.319 196 HD2 TYR 31 HD2 TYR 31 6.876 5.442 8.900 197 HE1 TYR 31 HE1 TYR 31 10.457 7.166 6.014 198 HE2 TYR 31 HE2 TYR 31 8.163 7.399 9.597 199 HH TYR 31 HH TYR 31 10.404 8.371 9.143 200 H TYR 32 H TYR 32 3.820 3.214 7.006 201 HA TYR 32 HA TYR 32 3.783 0.954 5.141 202 HB2 TYR 32 HB2 TYR 32 3.945 0.311 7.562 203 HB3 TYR 32 HB3 TYR 32 2.416 1.119 7.831 204 HD1 TYR 32 HD1 TYR 32 0.309 -0.031 7.448 205 HD2 TYR 32 HD2 TYR 32 3.974 -1.695 5.992 206 HE1 TYR 32 HE1 TYR 32 -0.845 -2.126 6.871 207 HE2 TYR 32 HE2 TYR 32 2.793 -3.771 5.414 208 HH TYR 32 HH TYR 32 -0.623 -3.996 5.413 209 H SER 33 H SER 33 2.426 1.130 3.571 210 HA SER 33 HA SER 33 -0.238 2.236 4.073 211 HB2 SER 33 HB2 SER 33 1.421 2.420 1.550 212 HB3 SER 33 HB3 SER 33 -0.188 3.133 1.798 213 HG SER 33 HG SER 33 1.601 4.576 2.066 214 H GLN 34 H GLN 34 -1.887 0.959 3.184 215 HA GLN 34 HA GLN 34 -0.931 -1.580 2.053 216 HB2 GLN 34 HB2 GLN 34 -1.541 -1.735 4.480 217 HB3 GLN 34 HB3 GLN 34 -3.174 -1.251 4.049 218 HG2 GLN 34 HG2 GLN 34 -3.471 -3.263 2.756 219 HG3 GLN 34 HG3 GLN 34 -1.796 -3.739 3.058 220 HE21 GLN 34 HE21 GLN 34 -2.298 -5.641 4.111 221 HE22 GLN 34 HE22 GLN 34 -3.075 -5.681 5.640 222 H CYS 35 H CYS 35 -2.299 -2.569 0.594 223 HA CYS 35 HA CYS 35 -4.201 -0.802 -0.719 224 HB2 CYS 35 HB2 CYS 35 -3.158 -3.529 -1.519 225 HB3 CYS 35 HB3 CYS 35 -4.227 -2.527 -2.491 226 H LEU 36 H LEU 36 -6.099 -0.838 0.208 227 HA LEU 36 HA LEU 36 -7.226 -3.410 0.983 228 HB2 LEU 36 HB2 LEU 36 -8.014 -0.628 1.873 229 HB3 LEU 36 HB3 LEU 36 -8.895 -2.081 2.285 230 HG LEU 36 HG LEU 36 -7.677 -1.580 4.189 231 HD11 LEU 36 HD11 LEU 36 -6.040 -3.326 4.509 232 HD12 LEU 36 HD12 LEU 36 -6.048 -3.637 2.777 233 HD13 LEU 36 HD13 LEU 36 -7.514 -3.892 3.727 234 HD21 LEU 36 HD21 LEU 36 -5.305 -1.033 4.277 235 HD22 LEU 36 HD22 LEU 36 -6.212 0.125 3.305 236 HD23 LEU 36 HD23 LEU 36 -5.223 -1.104 2.516 Start of MODEL 13 1 H1 THR 1 H1 THR 1 2.921 -4.744 -10.770 2 H2 THR 1 H2 THR 1 2.438 -6.094 -9.860 3 H3 THR 1 H3 THR 1 3.636 -5.082 -9.271 4 HA THR 1 HA THR 1 2.061 -3.293 -9.048 5 HB THR 1 HB THR 1 -0.018 -5.307 -9.981 6 HG1 THR 1 HG1 THR 1 0.896 -3.151 -11.610 7 HG21 THR 1 HG21 THR 1 -1.384 -3.269 -10.312 8 HG22 THR 1 HG22 THR 1 -0.030 -2.303 -9.699 9 HG23 THR 1 HG23 THR 1 -0.851 -3.438 -8.634 10 H GLN 2 H GLN 2 0.489 -3.299 -7.040 11 HA GLN 2 HA GLN 2 1.302 -5.571 -5.414 12 HB2 GLN 2 HB2 GLN 2 1.745 -3.188 -4.640 13 HB3 GLN 2 HB3 GLN 2 0.002 -3.025 -4.433 14 HG2 GLN 2 HG2 GLN 2 0.996 -3.621 -2.330 15 HG3 GLN 2 HG3 GLN 2 0.028 -4.976 -2.928 16 HE21 GLN 2 HE21 GLN 2 1.083 -6.707 -2.095 17 HE22 GLN 2 HE22 GLN 2 2.740 -7.047 -2.380 18 H SER 3 H SER 3 -0.110 -6.989 -4.555 19 HA SER 3 HA SER 3 -2.796 -6.891 -5.528 20 HB2 SER 3 HB2 SER 3 -2.786 -9.215 -4.415 21 HB3 SER 3 HB3 SER 3 -1.762 -8.973 -5.831 22 HG SER 3 HG SER 3 -0.786 -10.042 -4.013 23 H HIS 4 H HIS 4 -4.405 -7.959 -3.785 24 HA HIS 4 HA HIS 4 -5.010 -5.875 -1.987 25 HB2 HIS 4 HB2 HIS 4 -6.602 -7.546 -3.110 26 HB3 HIS 4 HB3 HIS 4 -6.100 -8.690 -1.877 27 HD1 HIS 4 HD1 HIS 4 -8.846 -8.561 -1.477 28 HD2 HIS 4 HD2 HIS 4 -6.606 -5.271 -0.301 29 HE1 HIS 4 HE1 HIS 4 -10.347 -7.225 0.005 30 HE2 HIS 4 HE2 HIS 4 -9.083 -5.040 0.139 31 H TYR 5 H TYR 5 -4.497 -5.553 0.084 32 HA TYR 5 HA TYR 5 -3.841 -5.762 2.161 33 HB2 TYR 5 HB2 TYR 5 -3.669 -8.750 1.701 34 HB3 TYR 5 HB3 TYR 5 -3.389 -7.967 3.255 35 HD1 TYR 5 HD1 TYR 5 -5.327 -6.352 4.008 36 HD2 TYR 5 HD2 TYR 5 -5.785 -9.557 1.258 37 HE1 TYR 5 HE1 TYR 5 -7.732 -6.392 4.470 38 HE2 TYR 5 HE2 TYR 5 -8.196 -9.607 1.710 39 HH TYR 5 HH TYR 5 -9.744 -8.915 3.513 40 H GLY 6 H GLY 6 -1.995 -5.909 -0.341 41 HA2 GLY 6 HA2 GLY 6 0.480 -6.450 1.098 42 HA3 GLY 6 HA3 GLY 6 0.311 -6.076 -0.616 43 H GLN 7 H GLN 7 2.258 -4.768 0.591 44 HA GLN 7 HA GLN 7 1.204 -2.226 1.516 45 HB2 GLN 7 HB2 GLN 7 3.073 -3.224 2.781 46 HB3 GLN 7 HB3 GLN 7 4.059 -3.216 1.327 47 HG2 GLN 7 HG2 GLN 7 4.006 -0.802 1.246 48 HG3 GLN 7 HG3 GLN 7 2.932 -0.755 2.637 49 HE21 GLN 7 HE21 GLN 7 5.487 0.481 2.273 50 HE22 GLN 7 HE22 GLN 7 6.523 -0.084 3.512 51 H CYS 8 H CYS 8 0.570 -0.895 -0.024 52 HA CYS 8 HA CYS 8 1.744 -0.789 -2.612 53 HB2 CYS 8 HB2 CYS 8 0.574 1.524 -2.583 54 HB3 CYS 8 HB3 CYS 8 -0.456 0.066 -2.630 55 H GLY 9 H GLY 9 2.182 0.889 0.380 56 HA2 GLY 9 HA2 GLY 9 4.602 1.307 0.714 57 HA3 GLY 9 HA3 GLY 9 4.558 1.987 -0.897 58 H GLY 10 H GLY 10 5.059 2.787 2.000 59 HA2 GLY 10 HA2 GLY 10 3.588 5.270 1.930 60 HA3 GLY 10 HA3 GLY 10 4.410 4.562 3.309 61 H ILE 11 H ILE 11 5.631 6.555 3.464 62 HA ILE 11 HA ILE 11 7.563 7.403 1.635 63 HB ILE 11 HB ILE 11 7.745 7.347 4.666 64 HG12 ILE 11 HG12 ILE 11 6.792 9.569 2.851 65 HG13 ILE 11 HG13 ILE 11 5.735 8.522 3.789 66 HG21 ILE 11 HG21 ILE 11 9.239 9.041 2.664 67 HG22 ILE 11 HG22 ILE 11 9.921 7.737 3.636 68 HG23 ILE 11 HG23 ILE 11 9.336 9.209 4.417 69 HD11 ILE 11 HD11 ILE 11 6.051 10.682 4.870 70 HD12 ILE 11 HD12 ILE 11 7.795 10.404 4.910 71 HD13 ILE 11 HD13 ILE 11 6.716 9.373 5.849 72 H GLY 12 H GLY 12 9.431 6.432 0.972 73 HA2 GLY 12 HA2 GLY 12 11.459 5.236 1.446 74 HA3 GLY 12 HA3 GLY 12 10.590 4.361 2.692 75 H TYR 13 H TYR 13 8.445 4.335 0.350 76 HA TYR 13 HA TYR 13 9.463 1.845 -0.860 77 HB2 TYR 13 HB2 TYR 13 7.412 1.807 0.688 78 HB3 TYR 13 HB3 TYR 13 6.603 2.755 -0.535 79 HD1 TYR 13 HD1 TYR 13 7.120 -0.447 0.722 80 HD2 TYR 13 HD2 TYR 13 6.624 1.605 -2.965 81 HE1 TYR 13 HE1 TYR 13 6.336 -2.521 -0.323 82 HE2 TYR 13 HE2 TYR 13 5.837 -0.469 -4.012 83 HH TYR 13 HH TYR 13 4.781 -3.039 -2.356 84 H SER 14 H SER 14 9.613 1.887 -3.114 85 HA SER 14 HA SER 14 8.294 4.102 -4.514 86 HB2 SER 14 HB2 SER 14 10.426 4.326 -5.852 87 HB3 SER 14 HB3 SER 14 10.523 4.860 -4.170 88 HG SER 14 HG SER 14 11.740 3.178 -3.670 89 H GLY 15 H GLY 15 8.349 0.910 -4.278 90 HA2 GLY 15 HA2 GLY 15 8.659 0.192 -7.094 91 HA3 GLY 15 HA3 GLY 15 8.321 -0.879 -5.746 92 HA PRO 16 HA PRO 16 4.214 -0.963 -7.646 93 HB2 PRO 16 HB2 PRO 16 3.736 -2.836 -5.422 94 HB3 PRO 16 HB3 PRO 16 3.520 -3.083 -7.157 95 HG2 PRO 16 HG2 PRO 16 5.526 -4.261 -5.862 96 HG3 PRO 16 HG3 PRO 16 5.749 -3.601 -7.495 97 HD2 PRO 16 HD2 PRO 16 6.555 -2.426 -4.864 98 HD3 PRO 16 HD3 PRO 16 7.457 -2.531 -6.396 99 H THR 17 H THR 17 4.073 1.250 -6.750 100 HA THR 17 HA THR 17 2.658 1.578 -4.252 101 HB THR 17 HB THR 17 2.633 4.002 -5.072 102 HG1 THR 17 HG1 THR 17 4.672 3.585 -6.801 103 HG21 THR 17 HG21 THR 17 5.318 2.616 -4.853 104 HG22 THR 17 HG22 THR 17 4.339 3.156 -3.491 105 HG23 THR 17 HG23 THR 17 5.033 4.339 -4.602 106 H VAL 18 H VAL 18 1.829 0.364 -6.979 107 HA VAL 18 HA VAL 18 -0.738 1.711 -7.324 108 HB VAL 18 HB VAL 18 0.743 -0.204 -9.149 109 HG11 VAL 18 HG11 VAL 18 -1.650 -0.486 -9.386 110 HG12 VAL 18 HG12 VAL 18 -1.000 0.332 -10.809 111 HG13 VAL 18 HG13 VAL 18 -1.860 1.250 -9.576 112 HG21 VAL 18 HG21 VAL 18 1.033 1.720 -10.623 113 HG22 VAL 18 HG22 VAL 18 1.768 2.019 -9.049 114 HG23 VAL 18 HG23 VAL 18 0.218 2.752 -9.451 115 H CYS 19 H CYS 19 -2.280 0.737 -6.225 116 HA CYS 19 HA CYS 19 -2.116 -2.043 -5.532 117 HB2 CYS 19 HB2 CYS 19 -4.295 0.010 -5.110 118 HB3 CYS 19 HB3 CYS 19 -4.310 -1.627 -4.459 119 H ALA 20 H ALA 20 -3.500 -3.607 -6.252 120 HA ALA 20 HA ALA 20 -4.224 -3.725 -8.913 121 HB1 ALA 20 HB1 ALA 20 -5.352 -5.233 -6.566 122 HB2 ALA 20 HB2 ALA 20 -3.926 -5.686 -7.501 123 HB3 ALA 20 HB3 ALA 20 -5.523 -5.707 -8.249 124 H SER 21 H SER 21 -6.285 -3.683 -9.956 125 HA SER 21 HA SER 21 -7.869 -1.481 -9.349 126 HB2 SER 21 HB2 SER 21 -8.553 -3.865 -11.078 127 HB3 SER 21 HB3 SER 21 -9.223 -2.238 -11.204 128 HG SER 21 HG SER 21 -7.230 -1.469 -11.834 129 H GLY 22 H GLY 22 -9.365 -1.258 -7.833 130 HA2 GLY 22 HA2 GLY 22 -11.464 -1.991 -6.918 131 HA3 GLY 22 HA3 GLY 22 -10.830 -3.636 -6.933 132 H THR 23 H THR 23 -8.206 -2.072 -6.028 133 HA THR 23 HA THR 23 -9.028 -2.032 -3.222 134 HB THR 23 HB THR 23 -6.737 -2.798 -2.591 135 HG1 THR 23 HG1 THR 23 -6.409 -2.798 -5.397 136 HG21 THR 23 HG21 THR 23 -7.023 -5.143 -3.276 137 HG22 THR 23 HG22 THR 23 -8.219 -4.637 -4.470 138 HG23 THR 23 HG23 THR 23 -8.541 -4.422 -2.752 139 H THR 24 H THR 24 -8.098 -0.499 -1.879 140 HA THR 24 HA THR 24 -7.097 1.829 -3.357 141 HB THR 24 HB THR 24 -7.908 3.114 -1.349 142 HG1 THR 24 HG1 THR 24 -8.800 0.513 -0.645 143 HG21 THR 24 HG21 THR 24 -9.956 1.498 -2.869 144 HG22 THR 24 HG22 THR 24 -9.211 3.003 -3.411 145 HG23 THR 24 HG23 THR 24 -10.280 3.004 -2.005 146 H CYS 25 H CYS 25 -5.230 2.862 -2.700 147 HA CYS 25 HA CYS 25 -3.609 1.421 -0.806 148 HB2 CYS 25 HB2 CYS 25 -2.502 2.243 -2.852 149 HB3 CYS 25 HB3 CYS 25 -2.977 3.890 -2.465 150 H GLN 26 H GLN 26 -4.041 1.798 1.221 151 HA GLN 26 HA GLN 26 -4.719 4.532 2.024 152 HB2 GLN 26 HB2 GLN 26 -5.274 1.895 3.401 153 HB3 GLN 26 HB3 GLN 26 -5.727 3.476 4.024 154 HG2 GLN 26 HG2 GLN 26 -7.215 3.843 2.140 155 HG3 GLN 26 HG3 GLN 26 -6.702 2.329 1.409 156 HE21 GLN 26 HE21 GLN 26 -8.810 1.569 1.356 157 HE22 GLN 26 HE22 GLN 26 -9.639 1.031 2.765 158 H VAL 27 H VAL 27 -3.069 5.587 2.829 159 HA VAL 27 HA VAL 27 -0.739 4.231 3.805 160 HB VAL 27 HB VAL 27 -1.310 7.239 3.809 161 HG11 VAL 27 HG11 VAL 27 0.481 6.580 5.274 162 HG12 VAL 27 HG12 VAL 27 1.039 7.563 3.918 163 HG13 VAL 27 HG13 VAL 27 1.308 5.817 3.918 164 HG21 VAL 27 HG21 VAL 27 -0.066 7.346 1.713 165 HG22 VAL 27 HG22 VAL 27 -1.511 6.348 1.539 166 HG23 VAL 27 HG23 VAL 27 0.071 5.590 1.698 167 H LEU 28 H LEU 28 -1.092 3.241 5.665 168 HA LEU 28 HA LEU 28 -2.870 4.213 7.720 169 HB2 LEU 28 HB2 LEU 28 -0.953 1.894 7.689 170 HB3 LEU 28 HB3 LEU 28 -2.168 2.154 8.916 171 HG LEU 28 HG LEU 28 -2.670 1.541 5.995 172 HD11 LEU 28 HD11 LEU 28 -1.872 -0.354 7.232 173 HD12 LEU 28 HD12 LEU 28 -3.572 -0.560 6.814 174 HD13 LEU 28 HD13 LEU 28 -3.115 -0.122 8.463 175 HD21 LEU 28 HD21 LEU 28 -5.027 1.374 6.626 176 HD22 LEU 28 HD22 LEU 28 -4.395 3.008 6.863 177 HD23 LEU 28 HD23 LEU 28 -4.613 1.932 8.249 178 H ASN 29 H ASN 29 0.533 3.480 7.536 179 HA ASN 29 HA ASN 29 1.073 5.527 9.584 180 HB2 ASN 29 HB2 ASN 29 2.727 3.113 8.724 181 HB3 ASN 29 HB3 ASN 29 3.336 4.389 9.753 182 HD21 ASN 29 HD21 ASN 29 3.151 1.610 10.270 183 HD22 ASN 29 HD22 ASN 29 2.178 1.390 11.671 184 HA PRO 30 HA PRO 30 2.865 7.800 6.279 185 HB2 PRO 30 HB2 PRO 30 5.500 7.933 7.573 186 HB3 PRO 30 HB3 PRO 30 4.452 9.255 7.058 187 HG2 PRO 30 HG2 PRO 30 4.703 8.701 9.656 188 HG3 PRO 30 HG3 PRO 30 3.127 9.151 8.975 189 HD2 PRO 30 HD2 PRO 30 4.182 6.445 9.691 190 HD3 PRO 30 HD3 PRO 30 2.561 7.115 9.972 191 H TYR 31 H TYR 31 4.644 5.067 7.490 192 HA TYR 31 HA TYR 31 6.055 4.816 4.919 193 HB2 TYR 31 HB2 TYR 31 6.561 3.339 7.509 194 HB3 TYR 31 HB3 TYR 31 7.553 3.285 6.058 195 HD1 TYR 31 HD1 TYR 31 9.071 5.124 5.534 196 HD2 TYR 31 HD2 TYR 31 6.599 5.279 8.993 197 HE1 TYR 31 HE1 TYR 31 10.426 6.970 6.415 198 HE2 TYR 31 HE2 TYR 31 7.956 7.129 9.877 199 HH TYR 31 HH TYR 31 10.083 8.060 9.657 200 H TYR 32 H TYR 32 3.595 3.339 6.928 201 HA TYR 32 HA TYR 32 3.636 0.980 5.202 202 HB2 TYR 32 HB2 TYR 32 3.773 0.457 7.591 203 HB3 TYR 32 HB3 TYR 32 2.262 1.311 7.881 204 HD1 TYR 32 HD1 TYR 32 0.265 0.071 7.900 205 HD2 TYR 32 HD2 TYR 32 3.683 -1.518 5.908 206 HE1 TYR 32 HE1 TYR 32 -0.922 -2.052 7.542 207 HE2 TYR 32 HE2 TYR 32 2.482 -3.636 5.546 208 HH TYR 32 HH TYR 32 -0.897 -3.942 6.131 209 H SER 33 H SER 33 2.352 1.068 3.597 210 HA SER 33 HA SER 33 -0.321 2.206 3.949 211 HB2 SER 33 HB2 SER 33 1.387 2.270 1.451 212 HB3 SER 33 HB3 SER 33 -0.194 3.037 1.679 213 HG SER 33 HG SER 33 1.841 4.290 1.906 214 H GLN 34 H GLN 34 -1.912 0.858 3.177 215 HA GLN 34 HA GLN 34 -0.925 -1.647 2.027 216 HB2 GLN 34 HB2 GLN 34 -1.428 -1.849 4.457 217 HB3 GLN 34 HB3 GLN 34 -3.085 -1.379 4.127 218 HG2 GLN 34 HG2 GLN 34 -3.405 -3.358 2.786 219 HG3 GLN 34 HG3 GLN 34 -1.724 -3.829 3.041 220 HE21 GLN 34 HE21 GLN 34 -2.169 -5.727 4.062 221 HE22 GLN 34 HE22 GLN 34 -2.907 -5.820 5.610 222 H CYS 35 H CYS 35 -2.323 -2.679 0.629 223 HA CYS 35 HA CYS 35 -4.269 -0.946 -0.666 224 HB2 CYS 35 HB2 CYS 35 -3.270 -3.698 -1.444 225 HB3 CYS 35 HB3 CYS 35 -4.315 -2.677 -2.422 226 H LEU 36 H LEU 36 -6.175 -0.950 0.276 227 HA LEU 36 HA LEU 36 -7.277 -3.490 1.214 228 HB2 LEU 36 HB2 LEU 36 -7.942 -0.688 2.112 229 HB3 LEU 36 HB3 LEU 36 -8.857 -2.098 2.572 230 HG LEU 36 HG LEU 36 -7.578 -1.639 4.392 231 HD11 LEU 36 HD11 LEU 36 -6.040 -3.746 2.948 232 HD12 LEU 36 HD12 LEU 36 -7.502 -3.955 3.909 233 HD13 LEU 36 HD13 LEU 36 -6.000 -3.442 4.683 234 HD21 LEU 36 HD21 LEU 36 -5.161 -1.247 2.653 235 HD22 LEU 36 HD22 LEU 36 -5.186 -1.162 4.419 236 HD23 LEU 36 HD23 LEU 36 -6.094 0.011 3.461 Start of MODEL 14 1 H1 THR 1 H1 THR 1 3.392 -4.429 -9.272 2 H2 THR 1 H2 THR 1 2.596 -4.058 -10.738 3 H3 THR 1 H3 THR 1 2.263 -5.494 -9.913 4 HA THR 1 HA THR 1 1.699 -2.849 -8.835 5 HB THR 1 HB THR 1 -0.181 -4.873 -10.096 6 HG1 THR 1 HG1 THR 1 -0.281 -3.390 -11.816 7 HG21 THR 1 HG21 THR 1 -1.773 -2.981 -9.989 8 HG22 THR 1 HG22 THR 1 -0.500 -2.044 -9.166 9 HG23 THR 1 HG23 THR 1 -1.181 -3.464 -8.391 10 H GLN 2 H GLN 2 0.570 -2.993 -6.769 11 HA GLN 2 HA GLN 2 1.398 -5.361 -5.317 12 HB2 GLN 2 HB2 GLN 2 1.793 -3.026 -4.456 13 HB3 GLN 2 HB3 GLN 2 0.052 -2.883 -4.249 14 HG2 GLN 2 HG2 GLN 2 1.120 -3.511 -2.162 15 HG3 GLN 2 HG3 GLN 2 0.050 -4.791 -2.746 16 HE21 GLN 2 HE21 GLN 2 0.977 -6.564 -2.000 17 HE22 GLN 2 HE22 GLN 2 2.610 -7.048 -2.252 18 H SER 3 H SER 3 0.153 -6.813 -4.358 19 HA SER 3 HA SER 3 -2.498 -7.148 -5.320 20 HB2 SER 3 HB2 SER 3 -2.233 -9.250 -3.863 21 HB3 SER 3 HB3 SER 3 -1.182 -9.087 -5.274 22 HG SER 3 HG SER 3 -0.542 -9.302 -2.688 23 H HIS 4 H HIS 4 -4.160 -7.979 -3.670 24 HA HIS 4 HA HIS 4 -4.906 -5.863 -1.983 25 HB2 HIS 4 HB2 HIS 4 -6.396 -7.575 -3.121 26 HB3 HIS 4 HB3 HIS 4 -5.940 -8.704 -1.852 27 HD1 HIS 4 HD1 HIS 4 -8.576 -8.722 -1.351 28 HD2 HIS 4 HD2 HIS 4 -6.626 -5.144 -0.608 29 HE1 HIS 4 HE1 HIS 4 -10.200 -7.320 -0.071 30 HE2 HIS 4 HE2 HIS 4 -9.106 -5.045 -0.120 31 H TYR 5 H TYR 5 -4.611 -5.488 0.153 32 HA TYR 5 HA TYR 5 -3.969 -5.588 2.246 33 HB2 TYR 5 HB2 TYR 5 -3.767 -8.572 1.837 34 HB3 TYR 5 HB3 TYR 5 -3.382 -7.793 3.360 35 HD1 TYR 5 HD1 TYR 5 -6.046 -8.747 1.051 36 HD2 TYR 5 HD2 TYR 5 -5.165 -6.896 4.773 37 HE1 TYR 5 HE1 TYR 5 -8.388 -8.990 1.715 38 HE2 TYR 5 HE2 TYR 5 -7.513 -7.134 5.453 39 HH TYR 5 HH TYR 5 -9.660 -9.133 3.714 40 H GLY 6 H GLY 6 -2.076 -5.760 -0.220 41 HA2 GLY 6 HA2 GLY 6 0.382 -6.301 1.233 42 HA3 GLY 6 HA3 GLY 6 0.230 -5.959 -0.489 43 H GLN 7 H GLN 7 2.166 -4.699 0.800 44 HA GLN 7 HA GLN 7 1.236 -2.096 1.684 45 HB2 GLN 7 HB2 GLN 7 3.113 -3.188 2.854 46 HB3 GLN 7 HB3 GLN 7 4.056 -3.162 1.370 47 HG2 GLN 7 HG2 GLN 7 3.944 -0.691 1.394 48 HG3 GLN 7 HG3 GLN 7 3.068 -0.770 2.918 49 HE21 GLN 7 HE21 GLN 7 5.560 0.503 2.357 50 HE22 GLN 7 HE22 GLN 7 6.747 -0.186 3.391 51 H CYS 8 H CYS 8 0.558 -0.826 0.102 52 HA CYS 8 HA CYS 8 1.576 -0.850 -2.544 53 HB2 CYS 8 HB2 CYS 8 0.536 1.528 -2.471 54 HB3 CYS 8 HB3 CYS 8 -0.557 0.103 -2.532 55 H GLY 9 H GLY 9 1.990 1.446 0.095 56 HA2 GLY 9 HA2 GLY 9 4.636 1.728 -0.068 57 HA3 GLY 9 HA3 GLY 9 4.066 2.673 -1.430 58 H GLY 10 H GLY 10 5.026 2.788 1.595 59 HA2 GLY 10 HA2 GLY 10 3.553 5.225 2.145 60 HA3 GLY 10 HA3 GLY 10 4.481 4.274 3.304 61 H ILE 11 H ILE 11 5.737 6.279 3.713 62 HA ILE 11 HA ILE 11 7.515 7.330 1.798 63 HB ILE 11 HB ILE 11 7.843 7.116 4.819 64 HG12 ILE 11 HG12 ILE 11 6.825 9.414 3.119 65 HG13 ILE 11 HG13 ILE 11 5.832 8.362 4.119 66 HG21 ILE 11 HG21 ILE 11 10.002 7.519 3.743 67 HG22 ILE 11 HG22 ILE 11 9.467 8.951 4.623 68 HG23 ILE 11 HG23 ILE 11 9.323 8.894 2.871 69 HD11 ILE 11 HD11 ILE 11 6.223 10.509 5.186 70 HD12 ILE 11 HD12 ILE 11 7.961 10.247 5.106 71 HD13 ILE 11 HD13 ILE 11 6.959 9.203 6.115 72 H GLY 12 H GLY 12 9.351 6.480 0.922 73 HA2 GLY 12 HA2 GLY 12 11.423 5.323 1.126 74 HA3 GLY 12 HA3 GLY 12 10.675 4.282 2.332 75 H TYR 13 H TYR 13 8.298 4.221 0.402 76 HA TYR 13 HA TYR 13 9.295 1.813 -0.956 77 HB2 TYR 13 HB2 TYR 13 7.230 1.842 0.582 78 HB3 TYR 13 HB3 TYR 13 6.437 2.733 -0.695 79 HD1 TYR 13 HD1 TYR 13 6.870 -0.426 0.674 80 HD2 TYR 13 HD2 TYR 13 6.631 1.493 -3.104 81 HE1 TYR 13 HE1 TYR 13 6.180 -2.548 -0.357 82 HE2 TYR 13 HE2 TYR 13 5.946 -0.618 -4.140 83 HH TYR 13 HH TYR 13 4.825 -3.192 -2.473 84 H SER 14 H SER 14 9.657 1.875 -3.104 85 HA SER 14 HA SER 14 8.428 4.050 -4.650 86 HB2 SER 14 HB2 SER 14 10.690 4.038 -5.871 87 HB3 SER 14 HB3 SER 14 10.618 4.773 -4.265 88 HG SER 14 HG SER 14 12.120 3.437 -3.768 89 H GLY 15 H GLY 15 8.240 0.859 -4.369 90 HA2 GLY 15 HA2 GLY 15 8.655 0.144 -7.176 91 HA3 GLY 15 HA3 GLY 15 8.272 -0.934 -5.844 92 HA PRO 16 HA PRO 16 4.142 -0.951 -7.852 93 HB2 PRO 16 HB2 PRO 16 3.651 -2.912 -5.713 94 HB3 PRO 16 HB3 PRO 16 3.502 -3.109 -7.459 95 HG2 PRO 16 HG2 PRO 16 5.465 -4.305 -6.114 96 HG3 PRO 16 HG3 PRO 16 5.744 -3.612 -7.724 97 HD2 PRO 16 HD2 PRO 16 6.448 -2.488 -5.041 98 HD3 PRO 16 HD3 PRO 16 7.406 -2.561 -6.535 99 H THR 17 H THR 17 4.127 1.225 -6.805 100 HA THR 17 HA THR 17 2.824 1.452 -4.285 101 HB THR 17 HB THR 17 2.701 3.918 -5.098 102 HG1 THR 17 HG1 THR 17 4.781 3.391 -6.824 103 HG21 THR 17 HG21 THR 17 5.090 4.234 -4.596 104 HG22 THR 17 HG22 THR 17 5.364 2.505 -4.827 105 HG23 THR 17 HG23 THR 17 4.361 3.067 -3.491 106 H VAL 18 H VAL 18 1.880 0.794 -7.364 107 HA VAL 18 HA VAL 18 -0.816 1.858 -7.167 108 HB VAL 18 HB VAL 18 0.398 0.072 -9.304 109 HG11 VAL 18 HG11 VAL 18 -1.436 0.867 -10.726 110 HG12 VAL 18 HG12 VAL 18 -2.072 1.795 -9.369 111 HG13 VAL 18 HG13 VAL 18 -2.029 0.033 -9.288 112 HG21 VAL 18 HG21 VAL 18 0.162 3.075 -9.277 113 HG22 VAL 18 HG22 VAL 18 0.689 2.107 -10.656 114 HG23 VAL 18 HG23 VAL 18 1.659 2.149 -9.183 115 H CYS 19 H CYS 19 -2.478 0.620 -6.526 116 HA CYS 19 HA CYS 19 -1.935 -2.077 -5.617 117 HB2 CYS 19 HB2 CYS 19 -4.318 -0.269 -5.227 118 HB3 CYS 19 HB3 CYS 19 -4.123 -1.863 -4.504 119 H ALA 20 H ALA 20 -3.429 -3.774 -6.090 120 HA ALA 20 HA ALA 20 -4.129 -4.149 -8.741 121 HB1 ALA 20 HB1 ALA 20 -5.342 -5.452 -6.300 122 HB2 ALA 20 HB2 ALA 20 -3.867 -5.972 -7.116 123 HB3 ALA 20 HB3 ALA 20 -5.417 -6.075 -7.949 124 H SER 21 H SER 21 -6.059 -4.076 -9.830 125 HA SER 21 HA SER 21 -7.662 -1.870 -9.555 126 HB2 SER 21 HB2 SER 21 -8.350 -4.482 -10.894 127 HB3 SER 21 HB3 SER 21 -9.036 -2.898 -11.256 128 HG SER 21 HG SER 21 -6.744 -4.007 -12.129 129 H GLY 22 H GLY 22 -9.082 -1.386 -8.027 130 HA2 GLY 22 HA2 GLY 22 -11.266 -1.811 -7.136 131 HA3 GLY 22 HA3 GLY 22 -10.836 -3.516 -7.041 132 H THR 23 H THR 23 -8.100 -2.160 -6.074 133 HA THR 23 HA THR 23 -9.052 -2.002 -3.315 134 HB THR 23 HB THR 23 -6.861 -2.863 -2.551 135 HG1 THR 23 HG1 THR 23 -6.298 -2.854 -5.338 136 HG21 THR 23 HG21 THR 23 -8.638 -4.478 -3.007 137 HG22 THR 23 HG22 THR 23 -7.059 -5.161 -3.378 138 HG23 THR 23 HG23 THR 23 -8.107 -4.598 -4.683 139 H THR 24 H THR 24 -8.139 -0.469 -1.947 140 HA THR 24 HA THR 24 -7.091 1.820 -3.424 141 HB THR 24 HB THR 24 -7.950 3.150 -1.460 142 HG1 THR 24 HG1 THR 24 -8.790 0.554 -0.682 143 HG21 THR 24 HG21 THR 24 -9.178 3.024 -3.555 144 HG22 THR 24 HG22 THR 24 -10.293 3.051 -2.188 145 HG23 THR 24 HG23 THR 24 -9.957 1.532 -3.028 146 H CYS 25 H CYS 25 -5.207 2.795 -2.811 147 HA CYS 25 HA CYS 25 -3.636 1.406 -0.827 148 HB2 CYS 25 HB2 CYS 25 -2.438 2.146 -2.836 149 HB3 CYS 25 HB3 CYS 25 -2.951 3.806 -2.541 150 H GLN 26 H GLN 26 -3.920 1.896 1.203 151 HA GLN 26 HA GLN 26 -4.548 4.677 1.830 152 HB2 GLN 26 HB2 GLN 26 -5.422 2.153 3.227 153 HB3 GLN 26 HB3 GLN 26 -5.720 3.780 3.836 154 HG2 GLN 26 HG2 GLN 26 -7.047 4.310 1.881 155 HG3 GLN 26 HG3 GLN 26 -6.684 2.737 1.179 156 HE21 GLN 26 HE21 GLN 26 -7.750 0.963 1.924 157 HE22 GLN 26 HE22 GLN 26 -9.102 1.043 2.990 158 H VAL 27 H VAL 27 -2.952 5.687 2.710 159 HA VAL 27 HA VAL 27 -0.719 4.340 3.861 160 HB VAL 27 HB VAL 27 -1.348 7.334 3.843 161 HG11 VAL 27 HG11 VAL 27 0.290 6.751 5.519 162 HG12 VAL 27 HG12 VAL 27 0.999 7.692 4.206 163 HG13 VAL 27 HG13 VAL 27 1.270 5.950 4.291 164 HG21 VAL 27 HG21 VAL 27 0.338 5.725 1.934 165 HG22 VAL 27 HG22 VAL 27 0.124 7.475 1.906 166 HG23 VAL 27 HG23 VAL 27 -1.248 6.413 1.586 167 H LEU 28 H LEU 28 -1.088 3.331 5.646 168 HA LEU 28 HA LEU 28 -3.002 4.172 7.649 169 HB2 LEU 28 HB2 LEU 28 -1.075 1.857 7.572 170 HB3 LEU 28 HB3 LEU 28 -2.376 2.064 8.727 171 HG LEU 28 HG LEU 28 -2.776 1.700 5.754 172 HD11 LEU 28 HD11 LEU 28 -3.076 -0.263 8.023 173 HD12 LEU 28 HD12 LEU 28 -1.846 -0.296 6.757 174 HD13 LEU 28 HD13 LEU 28 -3.544 -0.538 6.344 175 HD21 LEU 28 HD21 LEU 28 -5.092 1.303 6.395 176 HD22 LEU 28 HD22 LEU 28 -4.552 2.930 6.841 177 HD23 LEU 28 HD23 LEU 28 -4.666 1.660 8.072 178 H ASN 29 H ASN 29 0.412 3.573 7.380 179 HA ASN 29 HA ASN 29 0.957 5.272 9.713 180 HB2 ASN 29 HB2 ASN 29 2.620 2.909 8.730 181 HB3 ASN 29 HB3 ASN 29 2.909 3.869 10.164 182 HD21 ASN 29 HD21 ASN 29 2.660 1.017 9.957 183 HD22 ASN 29 HD22 ASN 29 1.335 0.554 10.956 184 HA PRO 30 HA PRO 30 3.171 7.635 6.752 185 HB2 PRO 30 HB2 PRO 30 5.800 7.320 7.927 186 HB3 PRO 30 HB3 PRO 30 4.873 8.800 7.703 187 HG2 PRO 30 HG2 PRO 30 5.205 7.760 10.175 188 HG3 PRO 30 HG3 PRO 30 3.692 8.550 9.701 189 HD2 PRO 30 HD2 PRO 30 4.334 5.646 9.931 190 HD3 PRO 30 HD3 PRO 30 2.836 6.488 10.360 191 H TYR 31 H TYR 31 4.897 4.697 7.636 192 HA TYR 31 HA TYR 31 6.075 4.668 4.955 193 HB2 TYR 31 HB2 TYR 31 6.856 2.981 7.353 194 HB3 TYR 31 HB3 TYR 31 7.696 3.092 5.820 195 HD1 TYR 31 HD1 TYR 31 9.226 4.866 5.375 196 HD2 TYR 31 HD2 TYR 31 6.893 4.964 8.935 197 HE1 TYR 31 HE1 TYR 31 10.615 6.694 6.244 198 HE2 TYR 31 HE2 TYR 31 8.280 6.780 9.797 199 HH TYR 31 HH TYR 31 10.600 7.581 9.435 200 H TYR 32 H TYR 32 3.780 3.122 7.011 201 HA TYR 32 HA TYR 32 3.622 0.838 5.192 202 HB2 TYR 32 HB2 TYR 32 3.826 0.273 7.577 203 HB3 TYR 32 HB3 TYR 32 2.345 1.157 7.913 204 HD1 TYR 32 HD1 TYR 32 3.660 -1.693 5.936 205 HD2 TYR 32 HD2 TYR 32 0.237 0.017 7.852 206 HE1 TYR 32 HE1 TYR 32 2.393 -3.759 5.541 207 HE2 TYR 32 HE2 TYR 32 -1.003 -2.050 7.462 208 HH TYR 32 HH TYR 32 -1.003 -3.962 6.037 209 H SER 33 H SER 33 2.283 1.056 3.639 210 HA SER 33 HA SER 33 -0.347 2.238 4.119 211 HB2 SER 33 HB2 SER 33 1.285 2.308 1.568 212 HB3 SER 33 HB3 SER 33 -0.257 3.126 1.867 213 HG SER 33 HG SER 33 1.724 4.386 2.040 214 H GLN 34 H GLN 34 -2.011 0.954 3.198 215 HA GLN 34 HA GLN 34 -1.029 -1.566 2.074 216 HB2 GLN 34 HB2 GLN 34 -1.556 -1.750 4.514 217 HB3 GLN 34 HB3 GLN 34 -3.217 -1.323 4.135 218 HG2 GLN 34 HG2 GLN 34 -3.478 -3.321 2.834 219 HG3 GLN 34 HG3 GLN 34 -1.782 -3.753 3.093 220 HE21 GLN 34 HE21 GLN 34 -2.193 -5.663 4.157 221 HE22 GLN 34 HE22 GLN 34 -2.956 -5.737 5.699 222 H CYS 35 H CYS 35 -2.341 -2.543 0.608 223 HA CYS 35 HA CYS 35 -4.325 -0.861 -0.678 224 HB2 CYS 35 HB2 CYS 35 -3.279 -3.597 -1.447 225 HB3 CYS 35 HB3 CYS 35 -4.293 -2.563 -2.440 226 H LEU 36 H LEU 36 -6.258 -0.941 0.256 227 HA LEU 36 HA LEU 36 -7.322 -3.572 0.956 228 HB2 LEU 36 HB2 LEU 36 -8.082 -0.897 2.150 229 HB3 LEU 36 HB3 LEU 36 -8.936 -2.390 2.449 230 HG LEU 36 HG LEU 36 -7.672 -2.094 4.347 231 HD11 LEU 36 HD11 LEU 36 -6.026 -3.938 2.678 232 HD12 LEU 36 HD12 LEU 36 -7.469 -4.339 3.599 233 HD13 LEU 36 HD13 LEU 36 -6.002 -3.841 4.436 234 HD21 LEU 36 HD21 LEU 36 -5.282 -1.362 2.672 235 HD22 LEU 36 HD22 LEU 36 -5.317 -1.480 4.434 236 HD23 LEU 36 HD23 LEU 36 -6.280 -0.253 3.612 Start of MODEL 15 1 H1 THR 1 H1 THR 1 2.430 -4.430 -9.622 2 H2 THR 1 H2 THR 1 1.536 -3.650 -10.846 3 H3 THR 1 H3 THR 1 0.966 -5.082 -10.142 4 HA THR 1 HA THR 1 1.292 -2.562 -8.726 5 HB THR 1 HB THR 1 -1.201 -2.791 -8.570 6 HG1 THR 1 HG1 THR 1 -2.131 -3.993 -10.401 7 HG21 THR 1 HG21 THR 1 -1.609 -1.774 -10.809 8 HG22 THR 1 HG22 THR 1 0.020 -2.258 -11.288 9 HG23 THR 1 HG23 THR 1 -0.206 -1.102 -9.985 10 H GLN 2 H GLN 2 0.428 -2.686 -6.559 11 HA GLN 2 HA GLN 2 1.304 -5.082 -5.283 12 HB2 GLN 2 HB2 GLN 2 1.699 -2.783 -4.409 13 HB3 GLN 2 HB3 GLN 2 -0.022 -2.635 -4.111 14 HG2 GLN 2 HG2 GLN 2 1.202 -3.125 -2.073 15 HG3 GLN 2 HG3 GLN 2 0.086 -4.422 -2.478 16 HE21 GLN 2 HE21 GLN 2 0.879 -6.436 -2.873 17 HE22 GLN 2 HE22 GLN 2 2.563 -6.829 -2.734 18 H SER 3 H SER 3 0.149 -6.728 -4.609 19 HA SER 3 HA SER 3 -2.489 -7.240 -5.324 20 HB2 SER 3 HB2 SER 3 -0.970 -8.574 -3.105 21 HB3 SER 3 HB3 SER 3 -2.129 -9.288 -4.227 22 HG SER 3 HG SER 3 -0.615 -8.777 -5.914 23 H HIS 4 H HIS 4 -4.217 -7.866 -3.790 24 HA HIS 4 HA HIS 4 -5.022 -5.841 -2.008 25 HB2 HIS 4 HB2 HIS 4 -6.496 -7.527 -3.247 26 HB3 HIS 4 HB3 HIS 4 -5.994 -8.716 -2.057 27 HD1 HIS 4 HD1 HIS 4 -8.723 -8.750 -1.712 28 HD2 HIS 4 HD2 HIS 4 -6.717 -5.383 -0.352 29 HE1 HIS 4 HE1 HIS 4 -10.332 -7.570 -0.209 30 HE2 HIS 4 HE2 HIS 4 -9.191 -5.394 0.316 31 H TYR 5 H TYR 5 -4.600 -5.539 0.104 32 HA TYR 5 HA TYR 5 -3.898 -5.741 2.160 33 HB2 TYR 5 HB2 TYR 5 -3.951 -8.717 1.667 34 HB3 TYR 5 HB3 TYR 5 -3.450 -8.024 3.208 35 HD1 TYR 5 HD1 TYR 5 -6.207 -9.097 1.231 36 HD2 TYR 5 HD2 TYR 5 -5.113 -6.475 4.383 37 HE1 TYR 5 HE1 TYR 5 -8.554 -8.949 1.915 38 HE2 TYR 5 HE2 TYR 5 -7.456 -6.325 5.090 39 HH TYR 5 HH TYR 5 -9.846 -8.417 3.927 40 H GLY 6 H GLY 6 -2.081 -5.926 -0.341 41 HA2 GLY 6 HA2 GLY 6 0.408 -6.561 1.022 42 HA3 GLY 6 HA3 GLY 6 0.221 -6.106 -0.673 43 H GLN 7 H GLN 7 2.186 -4.867 0.668 44 HA GLN 7 HA GLN 7 1.194 -2.390 1.805 45 HB2 GLN 7 HB2 GLN 7 3.123 -3.593 2.817 46 HB3 GLN 7 HB3 GLN 7 4.011 -3.360 1.315 47 HG2 GLN 7 HG2 GLN 7 3.727 -0.897 1.641 48 HG3 GLN 7 HG3 GLN 7 3.074 -1.243 3.237 49 HE21 GLN 7 HE21 GLN 7 5.381 0.268 2.506 50 HE22 GLN 7 HE22 GLN 7 6.745 -0.443 3.263 51 H CYS 8 H CYS 8 0.392 -1.069 0.160 52 HA CYS 8 HA CYS 8 1.624 -0.827 -2.384 53 HB2 CYS 8 HB2 CYS 8 0.469 1.425 -2.467 54 HB3 CYS 8 HB3 CYS 8 -0.620 0.030 -2.279 55 H GLY 9 H GLY 9 2.189 0.543 0.661 56 HA2 GLY 9 HA2 GLY 9 4.482 1.042 1.149 57 HA3 GLY 9 HA3 GLY 9 4.628 1.561 -0.514 58 H GLY 10 H GLY 10 4.841 2.614 2.379 59 HA2 GLY 10 HA2 GLY 10 3.545 5.156 1.987 60 HA3 GLY 10 HA3 GLY 10 4.397 4.552 3.404 61 H ILE 11 H ILE 11 5.630 6.504 3.335 62 HA ILE 11 HA ILE 11 7.517 7.201 1.390 63 HB ILE 11 HB ILE 11 7.813 7.388 4.407 64 HG12 ILE 11 HG12 ILE 11 6.667 9.433 2.492 65 HG13 ILE 11 HG13 ILE 11 5.702 8.406 3.549 66 HG21 ILE 11 HG21 ILE 11 9.904 7.772 3.226 67 HG22 ILE 11 HG22 ILE 11 9.311 9.281 3.919 68 HG23 ILE 11 HG23 ILE 11 9.125 8.972 2.194 69 HD11 ILE 11 HD11 ILE 11 7.706 10.469 4.430 70 HD12 ILE 11 HD12 ILE 11 6.748 9.445 5.497 71 HD13 ILE 11 HD13 ILE 11 5.951 10.637 4.470 72 H GLY 12 H GLY 12 9.213 6.059 0.663 73 HA2 GLY 12 HA2 GLY 12 11.338 4.979 1.230 74 HA3 GLY 12 HA3 GLY 12 10.455 4.096 2.473 75 H TYR 13 H TYR 13 8.276 4.045 0.266 76 HA TYR 13 HA TYR 13 9.324 1.599 -0.980 77 HB2 TYR 13 HB2 TYR 13 7.339 1.472 0.593 78 HB3 TYR 13 HB3 TYR 13 6.465 2.450 -0.566 79 HD1 TYR 13 HD1 TYR 13 7.269 -0.844 0.472 80 HD2 TYR 13 HD2 TYR 13 6.224 1.425 -2.966 81 HE1 TYR 13 HE1 TYR 13 6.489 -2.896 -0.642 82 HE2 TYR 13 HE2 TYR 13 5.447 -0.611 -4.081 83 HH TYR 13 HH TYR 13 4.754 -3.394 -2.552 84 H SER 14 H SER 14 9.913 1.986 -3.020 85 HA SER 14 HA SER 14 8.532 4.083 -4.519 86 HB2 SER 14 HB2 SER 14 10.690 3.975 -5.897 87 HB3 SER 14 HB3 SER 14 10.793 4.668 -4.278 88 HG SER 14 HG SER 14 12.444 3.104 -4.814 89 H GLY 15 H GLY 15 8.487 0.837 -4.239 90 HA2 GLY 15 HA2 GLY 15 8.561 0.069 -7.016 91 HA3 GLY 15 HA3 GLY 15 8.122 -0.953 -5.655 92 HA PRO 16 HA PRO 16 4.081 -0.568 -7.758 93 HB2 PRO 16 HB2 PRO 16 3.416 -2.653 -5.770 94 HB3 PRO 16 HB3 PRO 16 3.171 -2.656 -7.519 95 HG2 PRO 16 HG2 PRO 16 5.055 -4.152 -6.425 96 HG3 PRO 16 HG3 PRO 16 5.315 -3.290 -7.960 97 HD2 PRO 16 HD2 PRO 16 6.261 -2.563 -5.193 98 HD3 PRO 16 HD3 PRO 16 7.152 -2.510 -6.731 99 H THR 17 H THR 17 4.066 1.515 -6.588 100 HA THR 17 HA THR 17 2.710 1.608 -4.077 101 HB THR 17 HB THR 17 2.611 4.120 -4.689 102 HG1 THR 17 HG1 THR 17 4.644 3.559 -6.531 103 HG21 THR 17 HG21 THR 17 5.287 2.720 -4.568 104 HG22 THR 17 HG22 THR 17 4.298 3.149 -3.174 105 HG23 THR 17 HG23 THR 17 4.999 4.416 -4.186 106 H VAL 18 H VAL 18 1.841 1.218 -7.241 107 HA VAL 18 HA VAL 18 -0.890 2.164 -6.906 108 HB VAL 18 HB VAL 18 0.377 0.776 -9.291 109 HG11 VAL 18 HG11 VAL 18 -1.518 1.687 -10.564 110 HG12 VAL 18 HG12 VAL 18 -2.183 2.363 -9.076 111 HG13 VAL 18 HG13 VAL 18 -2.054 0.615 -9.270 112 HG21 VAL 18 HG21 VAL 18 1.525 2.870 -8.869 113 HG22 VAL 18 HG22 VAL 18 -0.014 3.725 -8.812 114 HG23 VAL 18 HG23 VAL 18 0.538 3.000 -10.323 115 H CYS 19 H CYS 19 -2.440 0.805 -6.351 116 HA CYS 19 HA CYS 19 -1.765 -1.934 -5.737 117 HB2 CYS 19 HB2 CYS 19 -4.284 -0.342 -5.259 118 HB3 CYS 19 HB3 CYS 19 -3.943 -1.941 -4.618 119 H ALA 20 H ALA 20 -3.408 -3.593 -6.248 120 HA ALA 20 HA ALA 20 -3.909 -3.702 -9.027 121 HB1 ALA 20 HB1 ALA 20 -5.001 -5.837 -8.531 122 HB2 ALA 20 HB2 ALA 20 -4.946 -5.465 -6.806 123 HB3 ALA 20 HB3 ALA 20 -3.449 -5.706 -7.704 124 H SER 21 H SER 21 -5.969 -3.827 -10.066 125 HA SER 21 HA SER 21 -7.734 -1.797 -9.374 126 HB2 SER 21 HB2 SER 21 -8.232 -4.189 -11.155 127 HB3 SER 21 HB3 SER 21 -9.123 -2.667 -11.181 128 HG SER 21 HG SER 21 -6.586 -2.055 -11.325 129 H GLY 22 H GLY 22 -9.292 -1.690 -7.928 130 HA2 GLY 22 HA2 GLY 22 -11.301 -2.623 -6.985 131 HA3 GLY 22 HA3 GLY 22 -10.499 -4.190 -6.969 132 H THR 23 H THR 23 -8.098 -2.263 -6.083 133 HA THR 23 HA THR 23 -8.903 -2.269 -3.263 134 HB THR 23 HB THR 23 -6.580 -2.862 -2.633 135 HG1 THR 23 HG1 THR 23 -6.220 -2.862 -5.457 136 HG21 THR 23 HG21 THR 23 -8.192 -4.667 -2.896 137 HG22 THR 23 HG22 THR 23 -6.591 -5.194 -3.407 138 HG23 THR 23 HG23 THR 23 -7.809 -4.777 -4.612 139 H THR 24 H THR 24 -7.893 -0.629 -1.945 140 HA THR 24 HA THR 24 -6.989 1.644 -3.553 141 HB THR 24 HB THR 24 -7.886 3.048 -1.635 142 HG1 THR 24 HG1 THR 24 -8.760 0.476 -0.844 143 HG21 THR 24 HG21 THR 24 -10.213 2.922 -2.435 144 HG22 THR 24 HG22 THR 24 -9.836 1.389 -3.232 145 HG23 THR 24 HG23 THR 24 -9.047 2.878 -3.760 146 H CYS 25 H CYS 25 -5.087 2.622 -2.983 147 HA CYS 25 HA CYS 25 -3.542 1.390 -0.916 148 HB2 CYS 25 HB2 CYS 25 -2.331 2.134 -2.888 149 HB3 CYS 25 HB3 CYS 25 -2.911 3.782 -2.680 150 H GLN 26 H GLN 26 -3.794 1.868 1.110 151 HA GLN 26 HA GLN 26 -4.618 4.587 1.815 152 HB2 GLN 26 HB2 GLN 26 -5.182 1.998 3.273 153 HB3 GLN 26 HB3 GLN 26 -5.696 3.593 3.802 154 HG2 GLN 26 HG2 GLN 26 -7.088 3.832 1.820 155 HG3 GLN 26 HG3 GLN 26 -6.545 2.264 1.238 156 HE21 GLN 26 HE21 GLN 26 -8.591 1.455 1.175 157 HE22 GLN 26 HE22 GLN 26 -9.495 1.050 2.580 158 H VAL 27 H VAL 27 -3.022 5.681 2.653 159 HA VAL 27 HA VAL 27 -0.722 4.365 3.725 160 HB VAL 27 HB VAL 27 -1.342 7.356 3.606 161 HG11 VAL 27 HG11 VAL 27 1.197 5.890 4.068 162 HG12 VAL 27 HG12 VAL 27 0.350 6.945 5.199 163 HG13 VAL 27 HG13 VAL 27 1.093 7.620 3.743 164 HG21 VAL 27 HG21 VAL 27 0.211 5.655 1.665 165 HG22 VAL 27 HG22 VAL 27 0.053 7.407 1.602 166 HG23 VAL 27 HG23 VAL 27 -1.365 6.386 1.369 167 H LEU 28 H LEU 28 -1.146 3.395 5.527 168 HA LEU 28 HA LEU 28 -3.030 4.324 7.510 169 HB2 LEU 28 HB2 LEU 28 -1.056 2.057 7.754 170 HB3 LEU 28 HB3 LEU 28 -2.524 2.288 8.672 171 HG LEU 28 HG LEU 28 -2.339 1.548 5.752 172 HD11 LEU 28 HD11 LEU 28 -3.340 -0.551 6.469 173 HD12 LEU 28 HD12 LEU 28 -3.283 -0.000 8.146 174 HD13 LEU 28 HD13 LEU 28 -1.785 -0.258 7.252 175 HD21 LEU 28 HD21 LEU 28 -4.755 1.949 7.488 176 HD22 LEU 28 HD22 LEU 28 -4.755 1.295 5.847 177 HD23 LEU 28 HD23 LEU 28 -4.260 2.969 6.132 178 H ASN 29 H ASN 29 0.391 4.025 7.137 179 HA ASN 29 HA ASN 29 0.920 5.765 9.427 180 HB2 ASN 29 HB2 ASN 29 2.500 3.286 8.628 181 HB3 ASN 29 HB3 ASN 29 2.894 4.393 9.937 182 HD21 ASN 29 HD21 ASN 29 0.937 1.786 8.890 183 HD22 ASN 29 HD22 ASN 29 0.298 1.359 10.421 184 HA PRO 30 HA PRO 30 3.218 7.830 6.309 185 HB2 PRO 30 HB2 PRO 30 5.818 7.645 7.584 186 HB3 PRO 30 HB3 PRO 30 4.865 9.085 7.227 187 HG2 PRO 30 HG2 PRO 30 5.181 8.225 9.761 188 HG3 PRO 30 HG3 PRO 30 3.669 8.961 9.210 189 HD2 PRO 30 HD2 PRO 30 4.325 6.072 9.620 190 HD3 PRO 30 HD3 PRO 30 2.828 6.937 10.010 191 H TYR 31 H TYR 31 4.918 4.977 7.531 192 HA TYR 31 HA TYR 31 6.199 4.742 4.904 193 HB2 TYR 31 HB2 TYR 31 6.926 3.262 7.454 194 HB3 TYR 31 HB3 TYR 31 7.834 3.344 5.956 195 HD1 TYR 31 HD1 TYR 31 9.143 5.294 5.381 196 HD2 TYR 31 HD2 TYR 31 6.922 5.196 9.013 197 HE1 TYR 31 HE1 TYR 31 10.386 7.236 6.187 198 HE2 TYR 31 HE2 TYR 31 8.166 7.144 9.827 199 HH TYR 31 HH TYR 31 9.954 9.083 7.819 200 H TYR 32 H TYR 32 3.928 3.230 7.073 201 HA TYR 32 HA TYR 32 3.775 0.908 5.299 202 HB2 TYR 32 HB2 TYR 32 3.891 0.424 7.791 203 HB3 TYR 32 HB3 TYR 32 2.351 1.239 7.941 204 HD1 TYR 32 HD1 TYR 32 3.965 -1.641 6.247 205 HD2 TYR 32 HD2 TYR 32 0.285 0.086 7.553 206 HE1 TYR 32 HE1 TYR 32 2.781 -3.715 5.665 207 HE2 TYR 32 HE2 TYR 32 -0.882 -2.005 6.979 208 HH TYR 32 HH TYR 32 0.779 -4.886 6.170 209 H SER 33 H SER 33 2.372 0.941 3.765 210 HA SER 33 HA SER 33 -0.246 2.129 4.221 211 HB2 SER 33 HB2 SER 33 1.428 2.378 1.717 212 HB3 SER 33 HB3 SER 33 -0.161 3.109 1.996 213 HG SER 33 HG SER 33 1.474 3.773 3.999 214 H GLN 34 H GLN 34 -1.884 0.872 3.206 215 HA GLN 34 HA GLN 34 -0.876 -1.640 2.078 216 HB2 GLN 34 HB2 GLN 34 -1.467 -1.868 4.493 217 HB3 GLN 34 HB3 GLN 34 -3.102 -1.362 4.107 218 HG2 GLN 34 HG2 GLN 34 -3.425 -3.321 2.750 219 HG3 GLN 34 HG3 GLN 34 -1.758 -3.834 3.034 220 HE21 GLN 34 HE21 GLN 34 -2.264 -5.738 4.026 221 HE22 GLN 34 HE22 GLN 34 -3.076 -5.847 5.537 222 H CYS 35 H CYS 35 -2.285 -2.658 0.637 223 HA CYS 35 HA CYS 35 -4.195 -0.888 -0.668 224 HB2 CYS 35 HB2 CYS 35 -3.194 -3.630 -1.474 225 HB3 CYS 35 HB3 CYS 35 -4.232 -2.587 -2.441 226 H LEU 36 H LEU 36 -6.100 -0.917 0.250 227 HA LEU 36 HA LEU 36 -7.201 -3.488 1.085 228 HB2 LEU 36 HB2 LEU 36 -8.003 -0.707 1.971 229 HB3 LEU 36 HB3 LEU 36 -8.849 -2.169 2.412 230 HG LEU 36 HG LEU 36 -7.605 -1.635 4.288 231 HD11 LEU 36 HD11 LEU 36 -7.422 -3.946 3.796 232 HD12 LEU 36 HD12 LEU 36 -5.966 -3.353 4.594 233 HD13 LEU 36 HD13 LEU 36 -5.953 -3.663 2.862 234 HD21 LEU 36 HD21 LEU 36 -5.244 -1.049 4.331 235 HD22 LEU 36 HD22 LEU 36 -6.179 0.086 3.358 236 HD23 LEU 36 HD23 LEU 36 -5.182 -1.139 2.570 Start of MODEL 16 1 H1 THR 1 H1 THR 1 2.964 -3.971 -10.742 2 H2 THR 1 H2 THR 1 2.452 -5.434 -10.055 3 H3 THR 1 H3 THR 1 3.584 -4.485 -9.244 4 HA THR 1 HA THR 1 1.940 -2.777 -8.967 5 HB THR 1 HB THR 1 -0.019 -4.679 -10.259 6 HG1 THR 1 HG1 THR 1 0.449 -3.550 -12.225 7 HG21 THR 1 HG21 THR 1 -1.210 -2.544 -10.646 8 HG22 THR 1 HG22 THR 1 0.142 -1.692 -9.869 9 HG23 THR 1 HG23 THR 1 -0.864 -2.780 -8.926 10 H GLN 2 H GLN 2 0.560 -2.923 -7.011 11 HA GLN 2 HA GLN 2 1.370 -5.262 -5.525 12 HB2 GLN 2 HB2 GLN 2 1.532 -2.875 -4.652 13 HB3 GLN 2 HB3 GLN 2 -0.214 -2.935 -4.463 14 HG2 GLN 2 HG2 GLN 2 0.842 -3.494 -2.360 15 HG3 GLN 2 HG3 GLN 2 0.009 -4.905 -3.020 16 HE21 GLN 2 HE21 GLN 2 1.191 -6.534 -2.224 17 HE22 GLN 2 HE22 GLN 2 2.870 -6.772 -2.492 18 H SER 3 H SER 3 0.084 -6.664 -4.413 19 HA SER 3 HA SER 3 -2.480 -7.213 -5.547 20 HB2 SER 3 HB2 SER 3 -2.123 -9.269 -4.105 21 HB3 SER 3 HB3 SER 3 -0.942 -9.007 -5.390 22 HG SER 3 HG SER 3 -0.341 -9.413 -2.966 23 H HIS 4 H HIS 4 -4.005 -8.239 -3.691 24 HA HIS 4 HA HIS 4 -4.875 -6.003 -2.125 25 HB2 HIS 4 HB2 HIS 4 -6.319 -7.816 -3.276 26 HB3 HIS 4 HB3 HIS 4 -5.849 -8.853 -1.938 27 HD1 HIS 4 HD1 HIS 4 -8.736 -8.554 -2.115 28 HD2 HIS 4 HD2 HIS 4 -6.460 -5.654 -0.209 29 HE1 HIS 4 HE1 HIS 4 -10.333 -7.273 -0.689 30 HE2 HIS 4 HE2 HIS 4 -8.962 -5.293 0.037 31 H TYR 5 H TYR 5 -4.507 -5.614 0.021 32 HA TYR 5 HA TYR 5 -3.799 -5.737 2.083 33 HB2 TYR 5 HB2 TYR 5 -3.820 -8.723 1.656 34 HB3 TYR 5 HB3 TYR 5 -3.256 -8.008 3.163 35 HD1 TYR 5 HD1 TYR 5 -6.145 -8.962 1.220 36 HD2 TYR 5 HD2 TYR 5 -4.833 -6.593 4.493 37 HE1 TYR 5 HE1 TYR 5 -8.464 -8.802 2.033 38 HE2 TYR 5 HE2 TYR 5 -7.129 -6.434 5.315 39 HH TYR 5 HH TYR 5 -9.635 -8.377 4.161 40 H GLY 6 H GLY 6 -2.004 -5.904 -0.389 41 HA2 GLY 6 HA2 GLY 6 0.504 -6.449 0.973 42 HA3 GLY 6 HA3 GLY 6 0.300 -6.064 -0.739 43 H GLN 7 H GLN 7 2.239 -4.734 0.553 44 HA GLN 7 HA GLN 7 1.132 -2.205 1.453 45 HB2 GLN 7 HB2 GLN 7 2.999 -3.191 2.728 46 HB3 GLN 7 HB3 GLN 7 4.001 -3.153 1.287 47 HG2 GLN 7 HG2 GLN 7 3.815 -0.713 1.230 48 HG3 GLN 7 HG3 GLN 7 2.851 -0.767 2.702 49 HE21 GLN 7 HE21 GLN 7 5.336 0.541 2.158 50 HE22 GLN 7 HE22 GLN 7 6.487 -0.048 3.293 51 H CYS 8 H CYS 8 0.550 -0.828 -0.076 52 HA CYS 8 HA CYS 8 1.751 -0.741 -2.667 53 HB2 CYS 8 HB2 CYS 8 0.601 1.575 -2.648 54 HB3 CYS 8 HB3 CYS 8 -0.449 0.127 -2.709 55 H GLY 9 H GLY 9 2.118 0.954 0.328 56 HA2 GLY 9 HA2 GLY 9 4.520 1.405 0.734 57 HA3 GLY 9 HA3 GLY 9 4.522 2.065 -0.885 58 H GLY 10 H GLY 10 4.814 2.854 2.090 59 HA2 GLY 10 HA2 GLY 10 3.411 5.376 1.964 60 HA3 GLY 10 HA3 GLY 10 4.242 4.654 3.326 61 H ILE 11 H ILE 11 5.490 6.621 3.478 62 HA ILE 11 HA ILE 11 7.438 7.415 1.607 63 HB ILE 11 HB ILE 11 7.614 7.436 4.638 64 HG12 ILE 11 HG12 ILE 11 6.649 9.624 2.778 65 HG13 ILE 11 HG13 ILE 11 5.602 8.599 3.753 66 HG21 ILE 11 HG21 ILE 11 9.208 9.295 4.328 67 HG22 ILE 11 HG22 ILE 11 9.129 9.044 2.583 68 HG23 ILE 11 HG23 ILE 11 9.786 7.784 3.624 69 HD11 ILE 11 HD11 ILE 11 6.630 9.502 5.780 70 HD12 ILE 11 HD12 ILE 11 5.901 10.765 4.795 71 HD13 ILE 11 HD13 ILE 11 7.652 10.542 4.790 72 H GLY 12 H GLY 12 9.279 6.377 0.969 73 HA2 GLY 12 HA2 GLY 12 11.299 5.193 1.429 74 HA3 GLY 12 HA3 GLY 12 10.487 4.418 2.786 75 H TYR 13 H TYR 13 8.517 4.432 0.121 76 HA TYR 13 HA TYR 13 9.402 1.724 -0.635 77 HB2 TYR 13 HB2 TYR 13 7.144 2.026 0.510 78 HB3 TYR 13 HB3 TYR 13 6.635 2.929 -0.904 79 HD1 TYR 13 HD1 TYR 13 6.663 1.632 -3.163 80 HD2 TYR 13 HD2 TYR 13 6.885 -0.255 0.635 81 HE1 TYR 13 HE1 TYR 13 5.866 -0.461 -4.156 82 HE2 TYR 13 HE2 TYR 13 6.099 -2.353 -0.354 83 HH TYR 13 HH TYR 13 4.616 -2.878 -2.472 84 H SER 14 H SER 14 9.790 1.387 -2.876 85 HA SER 14 HA SER 14 9.059 3.575 -4.667 86 HB2 SER 14 HB2 SER 14 11.394 3.414 -5.672 87 HB3 SER 14 HB3 SER 14 11.263 4.166 -4.081 88 HG SER 14 HG SER 14 12.897 2.377 -4.618 89 H GLY 15 H GLY 15 8.474 0.580 -4.147 90 HA2 GLY 15 HA2 GLY 15 8.976 -0.436 -6.833 91 HA3 GLY 15 HA3 GLY 15 8.349 -1.356 -5.466 92 HA PRO 16 HA PRO 16 4.518 -0.711 -7.882 93 HB2 PRO 16 HB2 PRO 16 3.425 -2.713 -6.069 94 HB3 PRO 16 HB3 PRO 16 3.628 -2.783 -7.821 95 HG2 PRO 16 HG2 PRO 16 5.080 -4.287 -6.110 96 HG3 PRO 16 HG3 PRO 16 5.692 -3.744 -7.678 97 HD2 PRO 16 HD2 PRO 16 6.249 -2.685 -4.949 98 HD3 PRO 16 HD3 PRO 16 7.339 -2.881 -6.340 99 H THR 17 H THR 17 4.118 1.358 -7.000 100 HA THR 17 HA THR 17 2.962 1.539 -4.382 101 HB THR 17 HB THR 17 2.753 4.015 -5.146 102 HG1 THR 17 HG1 THR 17 3.104 4.039 -7.232 103 HG21 THR 17 HG21 THR 17 4.432 3.226 -3.539 104 HG22 THR 17 HG22 THR 17 5.138 4.418 -4.633 105 HG23 THR 17 HG23 THR 17 5.463 2.698 -4.868 106 H VAL 18 H VAL 18 1.931 0.977 -7.500 107 HA VAL 18 HA VAL 18 -0.757 2.014 -7.132 108 HB VAL 18 HB VAL 18 0.414 0.366 -9.402 109 HG11 VAL 18 HG11 VAL 18 -2.018 0.139 -9.272 110 HG12 VAL 18 HG12 VAL 18 -1.553 1.076 -10.690 111 HG13 VAL 18 HG13 VAL 18 -2.192 1.893 -9.263 112 HG21 VAL 18 HG21 VAL 18 1.462 2.570 -9.199 113 HG22 VAL 18 HG22 VAL 18 -0.129 3.327 -9.263 114 HG23 VAL 18 HG23 VAL 18 0.485 2.441 -10.659 115 H CYS 19 H CYS 19 -2.441 0.812 -6.487 116 HA CYS 19 HA CYS 19 -1.958 -1.934 -5.668 117 HB2 CYS 19 HB2 CYS 19 -4.261 -0.057 -5.144 118 HB3 CYS 19 HB3 CYS 19 -4.142 -1.697 -4.522 119 H ALA 20 H ALA 20 -3.807 -3.454 -5.963 120 HA ALA 20 HA ALA 20 -4.442 -3.768 -8.702 121 HB1 ALA 20 HB1 ALA 20 -5.668 -5.746 -7.962 122 HB2 ALA 20 HB2 ALA 20 -5.562 -5.199 -6.294 123 HB3 ALA 20 HB3 ALA 20 -4.098 -5.662 -7.162 124 H SER 21 H SER 21 -6.593 -3.879 -9.627 125 HA SER 21 HA SER 21 -8.193 -1.682 -9.094 126 HB2 SER 21 HB2 SER 21 -8.902 -4.210 -10.597 127 HB3 SER 21 HB3 SER 21 -9.717 -2.654 -10.745 128 HG SER 21 HG SER 21 -7.848 -3.368 -12.252 129 H GLY 22 H GLY 22 -9.635 -1.342 -7.554 130 HA2 GLY 22 HA2 GLY 22 -11.652 -1.988 -6.418 131 HA3 GLY 22 HA3 GLY 22 -11.054 -3.641 -6.406 132 H THR 23 H THR 23 -8.336 -2.290 -5.769 133 HA THR 23 HA THR 23 -8.904 -2.190 -2.905 134 HB THR 23 HB THR 23 -6.591 -2.884 -2.482 135 HG1 THR 23 HG1 THR 23 -6.352 -2.512 -5.261 136 HG21 THR 23 HG21 THR 23 -6.647 -5.147 -3.419 137 HG22 THR 23 HG22 THR 23 -7.925 -4.646 -4.527 138 HG23 THR 23 HG23 THR 23 -8.214 -4.656 -2.787 139 H THR 24 H THR 24 -8.016 -0.584 -1.709 140 HA THR 24 HA THR 24 -7.165 1.741 -3.268 141 HB THR 24 HB THR 24 -8.005 3.030 -1.230 142 HG1 THR 24 HG1 THR 24 -8.780 0.400 -0.553 143 HG21 THR 24 HG21 THR 24 -10.355 2.902 -1.969 144 HG22 THR 24 HG22 THR 24 -9.968 1.432 -2.874 145 HG23 THR 24 HG23 THR 24 -9.224 2.970 -3.325 146 H CYS 25 H CYS 25 -5.269 2.710 -2.768 147 HA CYS 25 HA CYS 25 -3.580 1.419 -0.854 148 HB2 CYS 25 HB2 CYS 25 -2.570 2.239 -2.950 149 HB3 CYS 25 HB3 CYS 25 -3.075 3.879 -2.560 150 H GLN 26 H GLN 26 -3.941 1.834 1.162 151 HA GLN 26 HA GLN 26 -4.693 4.556 1.904 152 HB2 GLN 26 HB2 GLN 26 -5.172 1.944 3.319 153 HB3 GLN 26 HB3 GLN 26 -5.604 3.524 3.961 154 HG2 GLN 26 HG2 GLN 26 -7.155 3.889 2.168 155 HG3 GLN 26 HG3 GLN 26 -6.648 2.399 1.378 156 HE21 GLN 26 HE21 GLN 26 -8.685 1.577 1.413 157 HE22 GLN 26 HE22 GLN 26 -9.436 0.989 2.850 158 H VAL 27 H VAL 27 -3.127 5.675 2.749 159 HA VAL 27 HA VAL 27 -0.769 4.404 3.764 160 HB VAL 27 HB VAL 27 -1.477 7.379 3.901 161 HG11 VAL 27 HG11 VAL 27 0.304 6.710 5.363 162 HG12 VAL 27 HG12 VAL 27 0.856 7.788 4.075 163 HG13 VAL 27 HG13 VAL 27 1.191 6.055 3.989 164 HG21 VAL 27 HG21 VAL 27 -1.594 6.631 1.578 165 HG22 VAL 27 HG22 VAL 27 0.011 5.924 1.722 166 HG23 VAL 27 HG23 VAL 27 -0.196 7.673 1.843 167 H LEU 28 H LEU 28 -1.187 3.322 5.513 168 HA LEU 28 HA LEU 28 -3.129 4.127 7.509 169 HB2 LEU 28 HB2 LEU 28 -1.168 1.836 7.524 170 HB3 LEU 28 HB3 LEU 28 -2.534 2.018 8.596 171 HG LEU 28 HG LEU 28 -2.681 1.533 5.615 172 HD11 LEU 28 HD11 LEU 28 -1.910 -0.392 6.855 173 HD12 LEU 28 HD12 LEU 28 -3.554 -0.649 6.267 174 HD13 LEU 28 HD13 LEU 28 -3.272 -0.247 7.964 175 HD21 LEU 28 HD21 LEU 28 -4.552 2.862 6.411 176 HD22 LEU 28 HD22 LEU 28 -4.833 1.674 7.693 177 HD23 LEU 28 HD23 LEU 28 -5.054 1.215 5.999 178 H ASN 29 H ASN 29 0.267 3.930 7.108 179 HA ASN 29 HA ASN 29 0.779 5.472 9.531 180 HB2 ASN 29 HB2 ASN 29 2.430 3.101 8.549 181 HB3 ASN 29 HB3 ASN 29 2.722 4.072 9.984 182 HD21 ASN 29 HD21 ASN 29 0.781 1.604 8.576 183 HD22 ASN 29 HD22 ASN 29 0.106 0.984 10.033 184 HA PRO 30 HA PRO 30 2.912 7.826 6.511 185 HB2 PRO 30 HB2 PRO 30 5.530 7.659 7.715 186 HB3 PRO 30 HB3 PRO 30 4.530 9.087 7.464 187 HG2 PRO 30 HG2 PRO 30 4.946 8.028 9.943 188 HG3 PRO 30 HG3 PRO 30 3.463 8.882 9.490 189 HD2 PRO 30 HD2 PRO 30 3.933 5.963 9.845 190 HD3 PRO 30 HD3 PRO 30 2.457 6.906 10.101 191 H TYR 31 H TYR 31 4.709 4.966 7.537 192 HA TYR 31 HA TYR 31 6.021 4.924 4.921 193 HB2 TYR 31 HB2 TYR 31 6.724 3.375 7.434 194 HB3 TYR 31 HB3 TYR 31 7.677 3.450 5.958 195 HD1 TYR 31 HD1 TYR 31 6.547 5.399 8.898 196 HD2 TYR 31 HD2 TYR 31 9.128 5.335 5.526 197 HE1 TYR 31 HE1 TYR 31 7.709 7.369 9.761 198 HE2 TYR 31 HE2 TYR 31 10.299 7.313 6.384 199 HH TYR 31 HH TYR 31 9.784 8.494 9.573 200 H TYR 32 H TYR 32 3.711 3.288 6.909 201 HA TYR 32 HA TYR 32 3.691 1.023 5.050 202 HB2 TYR 32 HB2 TYR 32 3.821 0.448 7.482 203 HB3 TYR 32 HB3 TYR 32 2.272 1.228 7.703 204 HD1 TYR 32 HD1 TYR 32 3.945 -1.579 5.980 205 HD2 TYR 32 HD2 TYR 32 0.199 0.035 7.272 206 HE1 TYR 32 HE1 TYR 32 2.838 -3.704 5.447 207 HE2 TYR 32 HE2 TYR 32 -0.882 -2.101 6.738 208 HH TYR 32 HH TYR 32 -0.576 -4.048 5.409 209 H SER 33 H SER 33 2.369 1.255 3.433 210 HA SER 33 HA SER 33 -0.337 2.274 3.925 211 HB2 SER 33 HB2 SER 33 1.281 2.442 1.371 212 HB3 SER 33 HB3 SER 33 -0.321 3.141 1.652 213 HG SER 33 HG SER 33 1.548 4.542 1.826 214 H GLN 34 H GLN 34 -1.930 0.887 3.170 215 HA GLN 34 HA GLN 34 -0.908 -1.599 1.979 216 HB2 GLN 34 HB2 GLN 34 -1.424 -1.805 4.417 217 HB3 GLN 34 HB3 GLN 34 -3.084 -1.368 4.059 218 HG2 GLN 34 HG2 GLN 34 -3.387 -3.377 2.775 219 HG3 GLN 34 HG3 GLN 34 -1.686 -3.808 2.974 220 HE21 GLN 34 HE21 GLN 34 -2.036 -5.727 4.072 221 HE22 GLN 34 HE22 GLN 34 -2.741 -5.758 5.651 222 H CYS 35 H CYS 35 -2.291 -2.649 0.567 223 HA CYS 35 HA CYS 35 -4.259 -0.924 -0.704 224 HB2 CYS 35 HB2 CYS 35 -3.242 -3.657 -1.511 225 HB3 CYS 35 HB3 CYS 35 -4.258 -2.612 -2.487 226 H LEU 36 H LEU 36 -6.138 -0.992 0.290 227 HA LEU 36 HA LEU 36 -7.195 -3.591 1.107 228 HB2 LEU 36 HB2 LEU 36 -8.008 -0.835 2.053 229 HB3 LEU 36 HB3 LEU 36 -8.833 -2.310 2.493 230 HG LEU 36 HG LEU 36 -7.560 -1.813 4.350 231 HD11 LEU 36 HD11 LEU 36 -5.865 -3.502 4.581 232 HD12 LEU 36 HD12 LEU 36 -5.871 -3.749 2.838 233 HD13 LEU 36 HD13 LEU 36 -7.314 -4.112 3.782 234 HD21 LEU 36 HD21 LEU 36 -5.199 -1.194 2.588 235 HD22 LEU 36 HD22 LEU 36 -5.210 -1.163 4.355 236 HD23 LEU 36 HD23 LEU 36 -6.207 -0.027 3.446 Start of MODEL 17 1 H1 THR 1 H1 THR 1 2.133 -3.745 -10.649 2 H2 THR 1 H2 THR 1 1.636 -5.207 -10.009 3 H3 THR 1 H3 THR 1 3.008 -4.430 -9.373 4 HA THR 1 HA THR 1 1.544 -2.633 -8.619 5 HB THR 1 HB THR 1 -0.877 -3.319 -8.579 6 HG1 THR 1 HG1 THR 1 -1.507 -4.882 -10.057 7 HG21 THR 1 HG21 THR 1 0.344 -2.689 -11.275 8 HG22 THR 1 HG22 THR 1 -0.040 -1.510 -10.020 9 HG23 THR 1 HG23 THR 1 -1.338 -2.401 -10.817 10 H GLN 2 H GLN 2 0.365 -2.888 -6.528 11 HA GLN 2 HA GLN 2 1.334 -5.274 -5.190 12 HB2 GLN 2 HB2 GLN 2 1.679 -2.987 -4.214 13 HB3 GLN 2 HB3 GLN 2 -0.061 -2.890 -3.985 14 HG2 GLN 2 HG2 GLN 2 0.943 -3.606 -1.933 15 HG3 GLN 2 HG3 GLN 2 0.010 -4.928 -2.629 16 HE21 GLN 2 HE21 GLN 2 1.041 -6.666 -1.938 17 HE22 GLN 2 HE22 GLN 2 2.708 -7.015 -2.148 18 H SER 3 H SER 3 0.129 -6.790 -4.296 19 HA SER 3 HA SER 3 -2.480 -7.236 -5.233 20 HB2 SER 3 HB2 SER 3 -2.120 -9.239 -3.649 21 HB3 SER 3 HB3 SER 3 -1.085 -9.082 -5.072 22 HG SER 3 HG SER 3 -0.189 -9.456 -2.798 23 H HIS 4 H HIS 4 -4.188 -7.993 -3.657 24 HA HIS 4 HA HIS 4 -4.951 -5.861 -1.961 25 HB2 HIS 4 HB2 HIS 4 -6.482 -7.502 -3.203 26 HB3 HIS 4 HB3 HIS 4 -6.096 -8.664 -1.942 27 HD1 HIS 4 HD1 HIS 4 -8.889 -8.380 -1.844 28 HD2 HIS 4 HD2 HIS 4 -6.577 -5.330 -0.273 29 HE1 HIS 4 HE1 HIS 4 -10.445 -7.013 -0.438 30 HE2 HIS 4 HE2 HIS 4 -9.065 -4.945 -0.093 31 H TYR 5 H TYR 5 -4.598 -5.544 0.147 32 HA TYR 5 HA TYR 5 -3.999 -5.747 2.248 33 HB2 TYR 5 HB2 TYR 5 -3.946 -8.736 1.782 34 HB3 TYR 5 HB3 TYR 5 -3.607 -7.987 3.335 35 HD1 TYR 5 HD1 TYR 5 -5.436 -6.541 4.367 36 HD2 TYR 5 HD2 TYR 5 -6.138 -9.213 1.140 37 HE1 TYR 5 HE1 TYR 5 -7.834 -6.516 4.879 38 HE2 TYR 5 HE2 TYR 5 -8.541 -9.193 1.641 39 HH TYR 5 HH TYR 5 -10.016 -8.727 3.517 40 H GLY 6 H GLY 6 -2.098 -5.946 -0.204 41 HA2 GLY 6 HA2 GLY 6 0.310 -6.571 1.319 42 HA3 GLY 6 HA3 GLY 6 0.217 -6.249 -0.411 43 H GLN 7 H GLN 7 2.148 -4.965 0.987 44 HA GLN 7 HA GLN 7 1.138 -2.357 1.709 45 HB2 GLN 7 HB2 GLN 7 2.978 -3.321 3.047 46 HB3 GLN 7 HB3 GLN 7 4.000 -3.355 1.610 47 HG2 GLN 7 HG2 GLN 7 3.789 -0.908 1.434 48 HG3 GLN 7 HG3 GLN 7 2.839 -0.900 2.908 49 HE21 GLN 7 HE21 GLN 7 5.265 0.440 2.290 50 HE22 GLN 7 HE22 GLN 7 6.427 -0.015 3.456 51 H CYS 8 H CYS 8 0.580 -1.093 0.086 52 HA CYS 8 HA CYS 8 1.831 -1.100 -2.476 53 HB2 CYS 8 HB2 CYS 8 0.670 1.193 -2.582 54 HB3 CYS 8 HB3 CYS 8 -0.374 -0.260 -2.554 55 H GLY 9 H GLY 9 2.136 0.757 0.442 56 HA2 GLY 9 HA2 GLY 9 4.553 1.228 0.824 57 HA3 GLY 9 HA3 GLY 9 4.530 1.823 -0.820 58 H GLY 10 H GLY 10 4.922 2.778 2.044 59 HA2 GLY 10 HA2 GLY 10 3.413 5.232 1.854 60 HA3 GLY 10 HA3 GLY 10 4.291 4.603 3.233 61 H ILE 11 H ILE 11 5.431 6.620 3.274 62 HA ILE 11 HA ILE 11 7.260 7.504 1.348 63 HB ILE 11 HB ILE 11 7.579 7.560 4.372 64 HG12 ILE 11 HG12 ILE 11 6.338 9.644 2.555 65 HG13 ILE 11 HG13 ILE 11 5.428 8.545 3.581 66 HG21 ILE 11 HG21 ILE 11 8.992 9.529 3.970 67 HG22 ILE 11 HG22 ILE 11 8.819 9.292 2.231 68 HG23 ILE 11 HG23 ILE 11 9.653 8.080 3.209 69 HD11 ILE 11 HD11 ILE 11 7.361 10.650 4.519 70 HD12 ILE 11 HD12 ILE 11 6.461 9.548 5.557 71 HD13 ILE 11 HD13 ILE 11 5.601 10.741 4.581 72 H GLY 12 H GLY 12 9.189 6.657 0.673 73 HA2 GLY 12 HA2 GLY 12 11.281 5.559 1.089 74 HA3 GLY 12 HA3 GLY 12 10.483 4.677 2.390 75 H TYR 13 H TYR 13 8.230 4.430 0.251 76 HA TYR 13 HA TYR 13 9.369 1.989 -0.924 77 HB2 TYR 13 HB2 TYR 13 7.547 1.742 0.818 78 HB3 TYR 13 HB3 TYR 13 6.490 2.608 -0.270 79 HD1 TYR 13 HD1 TYR 13 7.152 -0.506 0.930 80 HD2 TYR 13 HD2 TYR 13 6.613 1.431 -2.808 81 HE1 TYR 13 HE1 TYR 13 6.443 -2.635 -0.068 82 HE2 TYR 13 HE2 TYR 13 5.907 -0.681 -3.811 83 HH TYR 13 HH TYR 13 4.893 -3.227 -2.178 84 H SER 14 H SER 14 9.694 2.246 -3.043 85 HA SER 14 HA SER 14 7.788 3.876 -4.507 86 HB2 SER 14 HB2 SER 14 9.969 4.358 -5.959 87 HB3 SER 14 HB3 SER 14 9.532 5.336 -4.556 88 HG SER 14 HG SER 14 11.328 4.811 -3.803 89 H GLY 15 H GLY 15 8.246 0.910 -4.093 90 HA2 GLY 15 HA2 GLY 15 8.637 -0.056 -6.808 91 HA3 GLY 15 HA3 GLY 15 8.192 -1.008 -5.394 92 HA PRO 16 HA PRO 16 4.172 -1.018 -7.554 93 HB2 PRO 16 HB2 PRO 16 3.581 -2.886 -5.335 94 HB3 PRO 16 HB3 PRO 16 3.360 -3.110 -7.071 95 HG2 PRO 16 HG2 PRO 16 5.305 -4.384 -5.798 96 HG3 PRO 16 HG3 PRO 16 5.560 -3.678 -7.413 97 HD2 PRO 16 HD2 PRO 16 6.375 -2.602 -4.727 98 HD3 PRO 16 HD3 PRO 16 7.319 -2.708 -6.230 99 H THR 17 H THR 17 4.034 1.187 -6.640 100 HA THR 17 HA THR 17 2.717 1.462 -4.090 101 HB THR 17 HB THR 17 2.656 3.935 -4.782 102 HG1 THR 17 HG1 THR 17 4.593 3.229 -6.709 103 HG21 THR 17 HG21 THR 17 4.373 3.031 -3.277 104 HG22 THR 17 HG22 THR 17 5.058 4.247 -4.354 105 HG23 THR 17 HG23 THR 17 5.333 2.535 -4.671 106 H VAL 18 H VAL 18 1.915 1.044 -7.300 107 HA VAL 18 HA VAL 18 -0.822 1.984 -7.031 108 HB VAL 18 HB VAL 18 0.565 0.559 -9.330 109 HG11 VAL 18 HG11 VAL 18 -1.336 1.267 -10.703 110 HG12 VAL 18 HG12 VAL 18 -2.115 1.946 -9.274 111 HG13 VAL 18 HG13 VAL 18 -1.848 0.207 -9.389 112 HG21 VAL 18 HG21 VAL 18 0.637 2.745 -10.414 113 HG22 VAL 18 HG22 VAL 18 1.509 2.770 -8.879 114 HG23 VAL 18 HG23 VAL 18 -0.097 3.479 -8.989 115 H CYS 19 H CYS 19 -2.451 0.632 -6.476 116 HA CYS 19 HA CYS 19 -1.746 -2.095 -5.816 117 HB2 CYS 19 HB2 CYS 19 -4.237 -0.487 -5.240 118 HB3 CYS 19 HB3 CYS 19 -3.887 -2.097 -4.629 119 H ALA 20 H ALA 20 -3.397 -3.755 -6.266 120 HA ALA 20 HA ALA 20 -4.096 -3.976 -8.965 121 HB1 ALA 20 HB1 ALA 20 -5.276 -5.400 -6.571 122 HB2 ALA 20 HB2 ALA 20 -3.861 -5.921 -7.491 123 HB3 ALA 20 HB3 ALA 20 -5.455 -5.898 -8.253 124 H SER 21 H SER 21 -6.077 -3.717 -10.011 125 HA SER 21 HA SER 21 -7.551 -1.462 -9.447 126 HB2 SER 21 HB2 SER 21 -7.450 -2.541 -11.668 127 HB3 SER 21 HB3 SER 21 -8.416 -3.880 -11.056 128 HG SER 21 HG SER 21 -9.626 -2.346 -12.209 129 H GLY 22 H GLY 22 -9.050 -1.015 -7.994 130 HA2 GLY 22 HA2 GLY 22 -11.193 -1.513 -7.057 131 HA3 GLY 22 HA3 GLY 22 -10.704 -3.202 -6.976 132 H THR 23 H THR 23 -7.997 -2.364 -6.029 133 HA THR 23 HA THR 23 -8.858 -2.041 -3.264 134 HB THR 23 HB THR 23 -6.644 -2.918 -2.593 135 HG1 THR 23 HG1 THR 23 -6.183 -2.800 -5.387 136 HG21 THR 23 HG21 THR 23 -8.019 -4.610 -4.672 137 HG22 THR 23 HG22 THR 23 -8.450 -4.492 -2.964 138 HG23 THR 23 HG23 THR 23 -6.907 -5.198 -3.435 139 H THR 24 H THR 24 -8.077 -0.484 -1.956 140 HA THR 24 HA THR 24 -6.972 1.839 -3.366 141 HB THR 24 HB THR 24 -7.737 3.063 -1.272 142 HG1 THR 24 HG1 THR 24 -8.674 0.472 -0.678 143 HG21 THR 24 HG21 THR 24 -10.081 3.130 -2.006 144 HG22 THR 24 HG22 THR 24 -9.783 1.703 -3.011 145 HG23 THR 24 HG23 THR 24 -8.943 3.218 -3.346 146 H CYS 25 H CYS 25 -4.999 2.645 -2.865 147 HA CYS 25 HA CYS 25 -3.467 1.286 -0.854 148 HB2 CYS 25 HB2 CYS 25 -2.332 2.006 -2.925 149 HB3 CYS 25 HB3 CYS 25 -2.766 3.677 -2.600 150 H GLN 26 H GLN 26 -3.942 1.758 1.145 151 HA GLN 26 HA GLN 26 -4.587 4.539 1.801 152 HB2 GLN 26 HB2 GLN 26 -5.236 2.006 3.309 153 HB3 GLN 26 HB3 GLN 26 -5.699 3.630 3.795 154 HG2 GLN 26 HG2 GLN 26 -7.061 3.862 1.790 155 HG3 GLN 26 HG3 GLN 26 -6.578 2.251 1.268 156 HE21 GLN 26 HE21 GLN 26 -8.649 1.514 1.248 157 HE22 GLN 26 HE22 GLN 26 -9.568 1.205 2.674 158 H VAL 27 H VAL 27 -3.007 5.604 2.688 159 HA VAL 27 HA VAL 27 -0.703 4.288 3.729 160 HB VAL 27 HB VAL 27 -1.400 7.257 3.836 161 HG11 VAL 27 HG11 VAL 27 1.245 5.889 4.099 162 HG12 VAL 27 HG12 VAL 27 0.343 6.690 5.385 163 HG13 VAL 27 HG13 VAL 27 0.984 7.634 4.039 164 HG21 VAL 27 HG21 VAL 27 0.177 5.756 1.749 165 HG22 VAL 27 HG22 VAL 27 -0.025 7.502 1.822 166 HG23 VAL 27 HG23 VAL 27 -1.418 6.466 1.522 167 H LEU 28 H LEU 28 -0.894 3.293 5.559 168 HA LEU 28 HA LEU 28 -2.814 4.094 7.596 169 HB2 LEU 28 HB2 LEU 28 -0.941 1.741 7.454 170 HB3 LEU 28 HB3 LEU 28 -2.223 1.949 8.626 171 HG LEU 28 HG LEU 28 -2.601 1.581 5.647 172 HD11 LEU 28 HD11 LEU 28 -1.871 -0.438 6.699 173 HD12 LEU 28 HD12 LEU 28 -3.578 -0.568 6.266 174 HD13 LEU 28 HD13 LEU 28 -3.108 -0.288 7.944 175 HD21 LEU 28 HD21 LEU 28 -4.975 1.360 6.210 176 HD22 LEU 28 HD22 LEU 28 -4.333 2.969 6.567 177 HD23 LEU 28 HD23 LEU 28 -4.584 1.803 7.878 178 H ASN 29 H ASN 29 0.594 3.450 7.293 179 HA ASN 29 HA ASN 29 1.140 5.272 9.541 180 HB2 ASN 29 HB2 ASN 29 2.847 2.923 8.570 181 HB3 ASN 29 HB3 ASN 29 3.270 4.027 9.860 182 HD21 ASN 29 HD21 ASN 29 3.061 1.173 9.973 183 HD22 ASN 29 HD22 ASN 29 1.884 0.815 11.188 184 HA PRO 30 HA PRO 30 3.025 7.725 6.459 185 HB2 PRO 30 HB2 PRO 30 5.718 7.571 7.517 186 HB3 PRO 30 HB3 PRO 30 4.717 9.004 7.296 187 HG2 PRO 30 HG2 PRO 30 5.208 8.050 9.777 188 HG3 PRO 30 HG3 PRO 30 3.645 8.767 9.349 189 HD2 PRO 30 HD2 PRO 30 4.404 5.905 9.671 190 HD3 PRO 30 HD3 PRO 30 2.883 6.706 10.091 191 H TYR 31 H TYR 31 4.832 4.918 7.371 192 HA TYR 31 HA TYR 31 6.095 4.805 4.723 193 HB2 TYR 31 HB2 TYR 31 6.769 3.200 7.189 194 HB3 TYR 31 HB3 TYR 31 7.706 3.302 5.705 195 HD1 TYR 31 HD1 TYR 31 6.901 4.914 8.866 196 HD2 TYR 31 HD2 TYR 31 8.937 5.403 5.163 197 HE1 TYR 31 HE1 TYR 31 8.149 6.799 9.802 198 HE2 TYR 31 HE2 TYR 31 10.183 7.296 6.095 199 HH TYR 31 HH TYR 31 10.314 7.932 9.373 200 H TYR 32 H TYR 32 3.762 3.220 6.779 201 HA TYR 32 HA TYR 32 3.700 0.915 4.975 202 HB2 TYR 32 HB2 TYR 32 3.926 0.327 7.354 203 HB3 TYR 32 HB3 TYR 32 2.436 1.190 7.712 204 HD1 TYR 32 HD1 TYR 32 0.328 0.036 7.615 205 HD2 TYR 32 HD2 TYR 32 3.779 -1.670 5.759 206 HE1 TYR 32 HE1 TYR 32 -0.894 -2.052 7.226 207 HE2 TYR 32 HE2 TYR 32 2.531 -3.747 5.370 208 HH TYR 32 HH TYR 32 -0.854 -3.980 5.772 209 H SER 33 H SER 33 2.348 1.091 3.423 210 HA SER 33 HA SER 33 -0.312 2.183 3.951 211 HB2 SER 33 HB2 SER 33 1.284 2.286 1.382 212 HB3 SER 33 HB3 SER 33 -0.312 3.010 1.653 213 HG SER 33 HG SER 33 1.704 4.302 1.801 214 H GLN 34 H GLN 34 -1.947 0.841 3.177 215 HA GLN 34 HA GLN 34 -0.965 -1.684 2.042 216 HB2 GLN 34 HB2 GLN 34 -1.518 -1.852 4.466 217 HB3 GLN 34 HB3 GLN 34 -3.161 -1.377 4.090 218 HG2 GLN 34 HG2 GLN 34 -3.481 -3.372 2.792 219 HG3 GLN 34 HG3 GLN 34 -1.799 -3.856 3.059 220 HE21 GLN 34 HE21 GLN 34 -2.240 -5.746 4.155 221 HE22 GLN 34 HE22 GLN 34 -3.020 -5.775 5.679 222 H CYS 35 H CYS 35 -2.329 -2.700 0.600 223 HA CYS 35 HA CYS 35 -4.239 -0.960 -0.724 224 HB2 CYS 35 HB2 CYS 35 -3.292 -3.739 -1.445 225 HB3 CYS 35 HB3 CYS 35 -4.265 -2.694 -2.466 226 H LEU 36 H LEU 36 -6.156 -0.942 0.221 227 HA LEU 36 HA LEU 36 -7.305 -3.495 1.061 228 HB2 LEU 36 HB2 LEU 36 -8.036 -0.711 1.993 229 HB3 LEU 36 HB3 LEU 36 -8.904 -2.163 2.429 230 HG LEU 36 HG LEU 36 -7.644 -1.717 4.287 231 HD11 LEU 36 HD11 LEU 36 -7.425 -4.008 3.721 232 HD12 LEU 36 HD12 LEU 36 -5.966 -3.422 4.522 233 HD13 LEU 36 HD13 LEU 36 -5.973 -3.668 2.779 234 HD21 LEU 36 HD21 LEU 36 -5.251 -1.109 2.567 235 HD22 LEU 36 HD22 LEU 36 -5.292 -1.090 4.332 236 HD23 LEU 36 HD23 LEU 36 -6.261 0.062 3.416 Start of MODEL 18 1 H1 THR 1 H1 THR 1 1.380 -3.786 -10.986 2 H2 THR 1 H2 THR 1 0.832 -5.166 -10.173 3 H3 THR 1 H3 THR 1 2.379 -4.557 -9.852 4 HA THR 1 HA THR 1 1.410 -2.606 -8.931 5 HB THR 1 HB THR 1 -1.079 -2.859 -8.438 6 HG1 THR 1 HG1 THR 1 -1.550 -4.106 -10.831 7 HG21 THR 1 HG21 THR 1 -0.190 -2.288 -11.272 8 HG22 THR 1 HG22 THR 1 -0.065 -1.185 -9.918 9 HG23 THR 1 HG23 THR 1 -1.665 -1.680 -10.504 10 H GLN 2 H GLN 2 0.072 -2.791 -6.681 11 HA GLN 2 HA GLN 2 1.273 -5.121 -5.375 12 HB2 GLN 2 HB2 GLN 2 1.660 -2.742 -4.547 13 HB3 GLN 2 HB3 GLN 2 -0.028 -2.766 -4.033 14 HG2 GLN 2 HG2 GLN 2 1.499 -3.374 -2.220 15 HG3 GLN 2 HG3 GLN 2 0.386 -4.682 -2.632 16 HE21 GLN 2 HE21 GLN 2 1.600 -6.345 -2.009 17 HE22 GLN 2 HE22 GLN 2 3.118 -6.797 -2.680 18 H SER 3 H SER 3 0.236 -6.653 -4.407 19 HA SER 3 HA SER 3 -2.409 -7.213 -5.187 20 HB2 SER 3 HB2 SER 3 -0.631 -8.572 -3.170 21 HB3 SER 3 HB3 SER 3 -2.043 -9.272 -3.965 22 HG SER 3 HG SER 3 -0.835 -8.629 -5.973 23 H HIS 4 H HIS 4 -4.056 -7.960 -3.604 24 HA HIS 4 HA HIS 4 -4.841 -5.848 -1.906 25 HB2 HIS 4 HB2 HIS 4 -6.326 -7.536 -3.179 26 HB3 HIS 4 HB3 HIS 4 -5.970 -8.652 -1.870 27 HD1 HIS 4 HD1 HIS 4 -8.710 -8.509 -1.568 28 HD2 HIS 4 HD2 HIS 4 -6.531 -5.135 -0.556 29 HE1 HIS 4 HE1 HIS 4 -10.292 -7.015 -0.342 30 HE2 HIS 4 HE2 HIS 4 -9.017 -4.852 -0.280 31 H TYR 5 H TYR 5 -4.521 -5.549 0.214 32 HA TYR 5 HA TYR 5 -3.859 -5.723 2.290 33 HB2 TYR 5 HB2 TYR 5 -3.779 -8.720 1.838 34 HB3 TYR 5 HB3 TYR 5 -3.421 -7.966 3.384 35 HD1 TYR 5 HD1 TYR 5 -6.047 -8.926 1.039 36 HD2 TYR 5 HD2 TYR 5 -5.219 -6.860 4.659 37 HE1 TYR 5 HE1 TYR 5 -8.436 -8.970 1.605 38 HE2 TYR 5 HE2 TYR 5 -7.608 -6.895 5.232 39 HH TYR 5 HH TYR 5 -9.728 -7.108 4.175 40 H GLY 6 H GLY 6 -2.046 -5.929 -0.222 41 HA2 GLY 6 HA2 GLY 6 0.453 -6.475 1.148 42 HA3 GLY 6 HA3 GLY 6 0.244 -6.118 -0.570 43 H GLN 7 H GLN 7 2.219 -4.802 0.641 44 HA GLN 7 HA GLN 7 1.227 -2.270 1.659 45 HB2 GLN 7 HB2 GLN 7 3.207 -3.384 2.687 46 HB3 GLN 7 HB3 GLN 7 4.065 -3.184 1.166 47 HG2 GLN 7 HG2 GLN 7 3.704 -0.713 1.405 48 HG3 GLN 7 HG3 GLN 7 3.101 -1.027 3.025 49 HE21 GLN 7 HE21 GLN 7 5.351 0.532 2.226 50 HE22 GLN 7 HE22 GLN 7 6.751 -0.135 2.950 51 H CYS 8 H CYS 8 0.440 -0.992 0.052 52 HA CYS 8 HA CYS 8 1.507 -0.851 -2.572 53 HB2 CYS 8 HB2 CYS 8 0.385 1.475 -2.499 54 HB3 CYS 8 HB3 CYS 8 -0.674 0.044 -2.429 55 H GLY 9 H GLY 9 2.017 1.036 0.323 56 HA2 GLY 9 HA2 GLY 9 4.493 1.352 0.576 57 HA3 GLY 9 HA3 GLY 9 4.398 1.998 -1.047 58 H GLY 10 H GLY 10 4.594 2.704 2.090 59 HA2 GLY 10 HA2 GLY 10 3.348 5.292 1.962 60 HA3 GLY 10 HA3 GLY 10 4.236 4.550 3.276 61 H ILE 11 H ILE 11 5.517 6.519 3.365 62 HA ILE 11 HA ILE 11 7.318 7.371 1.395 63 HB ILE 11 HB ILE 11 7.727 7.370 4.405 64 HG12 ILE 11 HG12 ILE 11 6.495 9.511 2.650 65 HG13 ILE 11 HG13 ILE 11 5.595 8.436 3.708 66 HG21 ILE 11 HG21 ILE 11 9.204 9.292 3.999 67 HG22 ILE 11 HG22 ILE 11 8.979 9.089 2.259 68 HG23 ILE 11 HG23 ILE 11 9.788 7.834 3.195 69 HD11 ILE 11 HD11 ILE 11 6.731 9.397 5.645 70 HD12 ILE 11 HD12 ILE 11 5.877 10.621 4.711 71 HD13 ILE 11 HD13 ILE 11 7.633 10.474 4.578 72 H GLY 12 H GLY 12 9.171 6.482 0.619 73 HA2 GLY 12 HA2 GLY 12 11.327 5.463 1.021 74 HA3 GLY 12 HA3 GLY 12 10.566 4.519 2.301 75 H TYR 13 H TYR 13 8.277 4.168 0.335 76 HA TYR 13 HA TYR 13 9.388 1.740 -0.793 77 HB2 TYR 13 HB2 TYR 13 7.250 1.811 0.586 78 HB3 TYR 13 HB3 TYR 13 6.517 2.676 -0.754 79 HD1 TYR 13 HD1 TYR 13 6.400 1.441 -3.015 80 HD2 TYR 13 HD2 TYR 13 7.258 -0.511 0.650 81 HE1 TYR 13 HE1 TYR 13 5.711 -0.701 -3.998 82 HE2 TYR 13 HE2 TYR 13 6.584 -2.660 -0.323 83 HH TYR 13 HH TYR 13 4.946 -3.324 -2.270 84 H SER 14 H SER 14 9.833 1.627 -2.933 85 HA SER 14 HA SER 14 8.690 3.659 -4.697 86 HB2 SER 14 HB2 SER 14 10.956 3.629 -5.848 87 HB3 SER 14 HB3 SER 14 10.899 4.401 -4.260 88 HG SER 14 HG SER 14 12.572 2.638 -4.933 89 H GLY 15 H GLY 15 8.342 0.633 -4.079 90 HA2 GLY 15 HA2 GLY 15 8.826 -0.538 -6.709 91 HA3 GLY 15 HA3 GLY 15 8.127 -1.351 -5.309 92 HA PRO 16 HA PRO 16 4.357 -0.692 -7.903 93 HB2 PRO 16 HB2 PRO 16 3.314 -2.691 -6.010 94 HB3 PRO 16 HB3 PRO 16 3.308 -2.721 -7.773 95 HG2 PRO 16 HG2 PRO 16 4.886 -4.347 -6.374 96 HG3 PRO 16 HG3 PRO 16 5.406 -3.608 -7.904 97 HD2 PRO 16 HD2 PRO 16 6.083 -2.809 -5.082 98 HD3 PRO 16 HD3 PRO 16 7.152 -2.923 -6.500 99 H THR 17 H THR 17 4.090 1.389 -6.969 100 HA THR 17 HA THR 17 2.935 1.517 -4.340 101 HB THR 17 HB THR 17 2.955 4.057 -4.987 102 HG1 THR 17 HG1 THR 17 5.131 3.564 -6.533 103 HG21 THR 17 HG21 THR 17 5.508 2.492 -4.610 104 HG22 THR 17 HG22 THR 17 4.422 2.998 -3.315 105 HG23 THR 17 HG23 THR 17 5.295 4.208 -4.261 106 H VAL 18 H VAL 18 1.805 0.837 -7.237 107 HA VAL 18 HA VAL 18 -0.770 2.162 -6.813 108 HB VAL 18 HB VAL 18 0.252 0.713 -9.279 109 HG11 VAL 18 HG11 VAL 18 -1.698 1.705 -10.421 110 HG12 VAL 18 HG12 VAL 18 -2.236 2.389 -8.887 111 HG13 VAL 18 HG13 VAL 18 -2.184 0.639 -9.100 112 HG21 VAL 18 HG21 VAL 18 1.488 2.780 -8.910 113 HG22 VAL 18 HG22 VAL 18 -0.026 3.679 -8.791 114 HG23 VAL 18 HG23 VAL 18 0.435 2.926 -10.318 115 H CYS 19 H CYS 19 -2.390 0.926 -6.110 116 HA CYS 19 HA CYS 19 -1.922 -1.839 -5.534 117 HB2 CYS 19 HB2 CYS 19 -4.336 -0.080 -5.129 118 HB3 CYS 19 HB3 CYS 19 -4.183 -1.732 -4.540 119 H ALA 20 H ALA 20 -3.290 -3.552 -6.213 120 HA ALA 20 HA ALA 20 -3.789 -3.623 -8.967 121 HB1 ALA 20 HB1 ALA 20 -4.819 -5.463 -6.809 122 HB2 ALA 20 HB2 ALA 20 -3.269 -5.617 -7.635 123 HB3 ALA 20 HB3 ALA 20 -4.774 -5.819 -8.535 124 H SER 21 H SER 21 -5.828 -4.086 -10.000 125 HA SER 21 HA SER 21 -7.657 -2.083 -9.872 126 HB2 SER 21 HB2 SER 21 -8.158 -4.906 -10.792 127 HB3 SER 21 HB3 SER 21 -8.991 -3.450 -11.337 128 HG SER 21 HG SER 21 -6.648 -2.791 -11.826 129 H GLY 22 H GLY 22 -9.022 -1.536 -8.296 130 HA2 GLY 22 HA2 GLY 22 -11.180 -1.995 -7.363 131 HA3 GLY 22 HA3 GLY 22 -10.671 -3.655 -7.120 132 H THR 23 H THR 23 -8.022 -2.144 -6.196 133 HA THR 23 HA THR 23 -9.043 -2.005 -3.448 134 HB THR 23 HB THR 23 -6.780 -2.703 -2.679 135 HG1 THR 23 HG1 THR 23 -6.299 -2.791 -5.494 136 HG21 THR 23 HG21 THR 23 -8.087 -4.527 -4.682 137 HG22 THR 23 HG22 THR 23 -8.522 -4.367 -2.981 138 HG23 THR 23 HG23 THR 23 -6.957 -5.040 -3.430 139 H THR 24 H THR 24 -8.080 -0.493 -1.952 140 HA THR 24 HA THR 24 -7.031 1.845 -3.363 141 HB THR 24 HB THR 24 -7.951 3.180 -1.454 142 HG1 THR 24 HG1 THR 24 -8.867 0.616 -0.664 143 HG21 THR 24 HG21 THR 24 -9.154 3.033 -3.557 144 HG22 THR 24 HG22 THR 24 -10.294 3.073 -2.207 145 HG23 THR 24 HG23 THR 24 -9.934 1.544 -3.025 146 H CYS 25 H CYS 25 -5.237 2.864 -2.609 147 HA CYS 25 HA CYS 25 -3.662 1.379 -0.725 148 HB2 CYS 25 HB2 CYS 25 -2.527 2.257 -2.710 149 HB3 CYS 25 HB3 CYS 25 -3.045 3.889 -2.295 150 H GLN 26 H GLN 26 -4.140 1.697 1.290 151 HA GLN 26 HA GLN 26 -4.922 4.359 2.188 152 HB2 GLN 26 HB2 GLN 26 -5.295 1.629 3.425 153 HB3 GLN 26 HB3 GLN 26 -5.796 3.142 4.179 154 HG2 GLN 26 HG2 GLN 26 -7.358 3.586 2.436 155 HG3 GLN 26 HG3 GLN 26 -6.766 2.236 1.481 156 HE21 GLN 26 HE21 GLN 26 -8.793 1.369 1.340 157 HE22 GLN 26 HE22 GLN 26 -9.577 0.571 2.647 158 H VAL 27 H VAL 27 -3.361 5.502 3.039 159 HA VAL 27 HA VAL 27 -0.954 4.215 3.918 160 HB VAL 27 HB VAL 27 -1.613 7.209 3.929 161 HG11 VAL 27 HG11 VAL 27 0.992 5.809 4.188 162 HG12 VAL 27 HG12 VAL 27 0.157 6.751 5.425 163 HG13 VAL 27 HG13 VAL 27 0.776 7.546 3.973 164 HG21 VAL 27 HG21 VAL 27 -0.150 5.595 1.851 165 HG22 VAL 27 HG22 VAL 27 -0.356 7.349 1.856 166 HG23 VAL 27 HG23 VAL 27 -1.758 6.298 1.667 167 H LEU 28 H LEU 28 -1.130 3.240 5.755 168 HA LEU 28 HA LEU 28 -2.913 4.100 7.863 169 HB2 LEU 28 HB2 LEU 28 -0.886 1.859 7.791 170 HB3 LEU 28 HB3 LEU 28 -2.130 2.073 9.007 171 HG LEU 28 HG LEU 28 -2.631 1.474 6.086 172 HD11 LEU 28 HD11 LEU 28 -1.677 -0.404 7.223 173 HD12 LEU 28 HD12 LEU 28 -3.384 -0.703 6.893 174 HD13 LEU 28 HD13 LEU 28 -2.857 -0.272 8.525 175 HD21 LEU 28 HD21 LEU 28 -4.925 1.114 6.799 176 HD22 LEU 28 HD22 LEU 28 -4.401 2.785 7.072 177 HD23 LEU 28 HD23 LEU 28 -4.471 1.638 8.423 178 H ASN 29 H ASN 29 0.512 3.585 7.460 179 HA ASN 29 HA ASN 29 1.084 5.514 9.598 180 HB2 ASN 29 HB2 ASN 29 2.715 3.106 8.699 181 HB3 ASN 29 HB3 ASN 29 3.215 4.283 9.900 182 HD21 ASN 29 HD21 ASN 29 1.281 1.525 9.239 183 HD22 ASN 29 HD22 ASN 29 0.818 1.188 10.850 184 HA PRO 30 HA PRO 30 3.075 7.802 6.419 185 HB2 PRO 30 HB2 PRO 30 5.762 7.647 7.553 186 HB3 PRO 30 HB3 PRO 30 4.774 9.074 7.248 187 HG2 PRO 30 HG2 PRO 30 5.199 8.211 9.761 188 HG3 PRO 30 HG3 PRO 30 3.642 8.903 9.270 189 HD2 PRO 30 HD2 PRO 30 4.410 6.044 9.658 190 HD3 PRO 30 HD3 PRO 30 2.896 6.855 10.087 191 H TYR 31 H TYR 31 4.943 4.966 7.414 192 HA TYR 31 HA TYR 31 6.048 4.812 4.708 193 HB2 TYR 31 HB2 TYR 31 6.926 3.270 7.162 194 HB3 TYR 31 HB3 TYR 31 7.731 3.365 5.614 195 HD1 TYR 31 HD1 TYR 31 9.160 5.188 5.064 196 HD2 TYR 31 HD2 TYR 31 6.942 5.285 8.695 197 HE1 TYR 31 HE1 TYR 31 10.516 7.067 5.837 198 HE2 TYR 31 HE2 TYR 31 8.300 7.174 9.473 199 HH TYR 31 HH TYR 31 10.599 8.030 9.000 200 H TYR 32 H TYR 32 3.897 3.250 6.931 201 HA TYR 32 HA TYR 32 3.714 0.914 5.173 202 HB2 TYR 32 HB2 TYR 32 3.923 0.419 7.630 203 HB3 TYR 32 HB3 TYR 32 2.432 1.299 7.878 204 HD1 TYR 32 HD1 TYR 32 0.461 0.015 8.144 205 HD2 TYR 32 HD2 TYR 32 3.633 -1.499 5.700 206 HE1 TYR 32 HE1 TYR 32 -0.788 -2.053 7.778 207 HE2 TYR 32 HE2 TYR 32 2.342 -3.561 5.330 208 HH TYR 32 HH TYR 32 -0.965 -3.833 6.230 209 H SER 33 H SER 33 2.326 1.033 3.649 210 HA SER 33 HA SER 33 -0.314 2.155 4.164 211 HB2 SER 33 HB2 SER 33 1.312 2.355 1.614 212 HB3 SER 33 HB3 SER 33 -0.282 3.075 1.903 213 HG SER 33 HG SER 33 1.311 3.876 3.846 214 H GLN 34 H GLN 34 -1.955 0.873 3.146 215 HA GLN 34 HA GLN 34 -0.933 -1.641 2.049 216 HB2 GLN 34 HB2 GLN 34 -1.442 -1.861 4.493 217 HB3 GLN 34 HB3 GLN 34 -3.105 -1.421 4.133 218 HG2 GLN 34 HG2 GLN 34 -3.403 -3.401 2.825 219 HG3 GLN 34 HG3 GLN 34 -1.705 -3.834 3.021 220 HE21 GLN 34 HE21 GLN 34 -2.125 -5.777 4.029 221 HE22 GLN 34 HE22 GLN 34 -2.807 -5.869 5.602 222 H CYS 35 H CYS 35 -2.300 -2.667 0.616 223 HA CYS 35 HA CYS 35 -4.264 -0.958 -0.658 224 HB2 CYS 35 HB2 CYS 35 -3.226 -3.693 -1.425 225 HB3 CYS 35 HB3 CYS 35 -4.301 -2.701 -2.400 226 H LEU 36 H LEU 36 -6.182 -0.982 0.291 227 HA LEU 36 HA LEU 36 -7.334 -3.574 0.983 228 HB2 LEU 36 HB2 LEU 36 -7.977 -0.870 2.179 229 HB3 LEU 36 HB3 LEU 36 -8.891 -2.322 2.486 230 HG LEU 36 HG LEU 36 -7.598 -2.044 4.376 231 HD11 LEU 36 HD11 LEU 36 -6.023 -3.861 4.472 232 HD12 LEU 36 HD12 LEU 36 -6.080 -3.994 2.715 233 HD13 LEU 36 HD13 LEU 36 -7.532 -4.302 3.671 234 HD21 LEU 36 HD21 LEU 36 -5.187 -1.486 2.668 235 HD22 LEU 36 HD22 LEU 36 -5.213 -1.581 4.432 236 HD23 LEU 36 HD23 LEU 36 -6.115 -0.311 3.601 Start of MODEL 19 1 H1 THR 1 H1 THR 1 3.430 -4.559 -8.910 2 H2 THR 1 H2 THR 1 2.824 -4.204 -10.477 3 H3 THR 1 H3 THR 1 2.331 -5.583 -9.668 4 HA THR 1 HA THR 1 1.719 -2.877 -8.776 5 HB THR 1 HB THR 1 -0.112 -4.933 -10.034 6 HG1 THR 1 HG1 THR 1 0.269 -3.841 -12.002 7 HG21 THR 1 HG21 THR 1 -0.212 -1.949 -9.653 8 HG22 THR 1 HG22 THR 1 -1.142 -3.126 -8.729 9 HG23 THR 1 HG23 THR 1 -1.471 -2.893 -10.459 10 H GLN 2 H GLN 2 0.792 -2.870 -6.727 11 HA GLN 2 HA GLN 2 1.412 -5.194 -5.195 12 HB2 GLN 2 HB2 GLN 2 1.832 -2.833 -4.496 13 HB3 GLN 2 HB3 GLN 2 0.103 -2.647 -4.303 14 HG2 GLN 2 HG2 GLN 2 1.241 -3.050 -2.172 15 HG3 GLN 2 HG3 GLN 2 0.057 -4.295 -2.554 16 HE21 GLN 2 HE21 GLN 2 0.747 -6.402 -2.794 17 HE22 GLN 2 HE22 GLN 2 2.381 -6.882 -2.532 18 H SER 3 H SER 3 0.119 -6.755 -4.576 19 HA SER 3 HA SER 3 -2.554 -6.885 -5.406 20 HB2 SER 3 HB2 SER 3 -2.279 -9.079 -4.115 21 HB3 SER 3 HB3 SER 3 -1.265 -8.810 -5.537 22 HG SER 3 HG SER 3 -0.473 -9.358 -3.139 23 H HIS 4 H HIS 4 -4.090 -7.935 -3.661 24 HA HIS 4 HA HIS 4 -4.879 -5.859 -1.933 25 HB2 HIS 4 HB2 HIS 4 -6.323 -7.667 -3.057 26 HB3 HIS 4 HB3 HIS 4 -5.792 -8.730 -1.765 27 HD1 HIS 4 HD1 HIS 4 -8.470 -8.812 -1.238 28 HD2 HIS 4 HD2 HIS 4 -6.547 -5.210 -0.503 29 HE1 HIS 4 HE1 HIS 4 -10.084 -7.437 0.068 30 HE2 HIS 4 HE2 HIS 4 -9.013 -5.152 0.050 31 H TYR 5 H TYR 5 -4.496 -5.496 0.175 32 HA TYR 5 HA TYR 5 -3.755 -5.613 2.240 33 HB2 TYR 5 HB2 TYR 5 -3.600 -8.589 1.764 34 HB3 TYR 5 HB3 TYR 5 -3.112 -7.855 3.286 35 HD1 TYR 5 HD1 TYR 5 -5.902 -8.880 1.207 36 HD2 TYR 5 HD2 TYR 5 -4.808 -6.717 4.702 37 HE1 TYR 5 HE1 TYR 5 -8.222 -8.974 1.986 38 HE2 TYR 5 HE2 TYR 5 -7.121 -6.814 5.495 39 HH TYR 5 HH TYR 5 -9.442 -8.852 4.096 40 H GLY 6 H GLY 6 -1.976 -5.722 -0.300 41 HA2 GLY 6 HA2 GLY 6 0.558 -6.214 1.015 42 HA3 GLY 6 HA3 GLY 6 0.312 -5.830 -0.688 43 H GLN 7 H GLN 7 2.257 -4.519 0.574 44 HA GLN 7 HA GLN 7 1.251 -1.969 1.515 45 HB2 GLN 7 HB2 GLN 7 3.084 -2.996 2.675 46 HB3 GLN 7 HB3 GLN 7 4.023 -3.063 1.174 47 HG2 GLN 7 HG2 GLN 7 4.080 -0.616 1.140 48 HG3 GLN 7 HG3 GLN 7 3.095 -0.566 2.601 49 HE21 GLN 7 HE21 GLN 7 5.695 0.513 2.132 50 HE22 GLN 7 HE22 GLN 7 6.744 -0.202 3.303 51 H CYS 8 H CYS 8 0.533 -0.722 -0.097 52 HA CYS 8 HA CYS 8 1.526 -0.708 -2.728 53 HB2 CYS 8 HB2 CYS 8 0.506 1.686 -2.583 54 HB3 CYS 8 HB3 CYS 8 -0.577 0.256 -2.710 55 H GLY 9 H GLY 9 2.014 1.660 -0.159 56 HA2 GLY 9 HA2 GLY 9 4.656 2.102 -0.750 57 HA3 GLY 9 HA3 GLY 9 3.741 3.124 -1.840 58 H GLY 10 H GLY 10 4.992 2.750 1.204 59 HA2 GLY 10 HA2 GLY 10 3.654 5.182 2.102 60 HA3 GLY 10 HA3 GLY 10 4.497 4.028 3.129 61 H ILE 11 H ILE 11 5.793 6.068 3.728 62 HA ILE 11 HA ILE 11 7.708 7.070 1.907 63 HB ILE 11 HB ILE 11 7.801 6.963 4.943 64 HG12 ILE 11 HG12 ILE 11 7.020 9.223 3.083 65 HG13 ILE 11 HG13 ILE 11 5.889 8.219 3.980 66 HG21 ILE 11 HG21 ILE 11 9.484 8.611 3.043 67 HG22 ILE 11 HG22 ILE 11 10.051 7.260 4.023 68 HG23 ILE 11 HG23 ILE 11 9.491 8.738 4.800 69 HD11 ILE 11 HD11 ILE 11 6.246 10.386 5.035 70 HD12 ILE 11 HD12 ILE 11 7.969 10.026 5.186 71 HD13 ILE 11 HD13 ILE 11 6.787 9.066 6.075 72 H GLY 12 H GLY 12 9.166 5.882 0.908 73 HA2 GLY 12 HA2 GLY 12 11.375 4.886 1.191 74 HA3 GLY 12 HA3 GLY 12 10.701 3.960 2.525 75 H TYR 13 H TYR 13 8.275 3.884 0.516 76 HA TYR 13 HA TYR 13 9.295 1.510 -0.892 77 HB2 TYR 13 HB2 TYR 13 7.532 1.128 0.884 78 HB3 TYR 13 HB3 TYR 13 6.432 2.089 -0.080 79 HD1 TYR 13 HD1 TYR 13 7.279 -1.146 0.765 80 HD2 TYR 13 HD2 TYR 13 6.363 1.151 -2.689 81 HE1 TYR 13 HE1 TYR 13 6.622 -3.195 -0.420 82 HE2 TYR 13 HE2 TYR 13 5.700 -0.884 -3.875 83 HH TYR 13 HH TYR 13 4.979 -3.672 -2.447 84 H SER 14 H SER 14 9.593 1.990 -2.966 85 HA SER 14 HA SER 14 7.760 3.864 -4.264 86 HB2 SER 14 HB2 SER 14 9.921 4.388 -5.628 87 HB3 SER 14 HB3 SER 14 9.682 5.130 -4.047 88 HG SER 14 HG SER 14 11.269 4.045 -3.275 89 H GLY 15 H GLY 15 8.195 0.795 -4.139 90 HA2 GLY 15 HA2 GLY 15 8.733 0.077 -6.894 91 HA3 GLY 15 HA3 GLY 15 8.239 -0.996 -5.590 92 HA PRO 16 HA PRO 16 4.285 -0.970 -7.902 93 HB2 PRO 16 HB2 PRO 16 3.644 -2.909 -5.770 94 HB3 PRO 16 HB3 PRO 16 3.535 -3.102 -7.525 95 HG2 PRO 16 HG2 PRO 16 5.443 -4.361 -6.182 96 HG3 PRO 16 HG3 PRO 16 5.794 -3.595 -7.742 97 HD2 PRO 16 HD2 PRO 16 6.358 -2.578 -4.985 98 HD3 PRO 16 HD3 PRO 16 7.414 -2.632 -6.415 99 H THR 17 H THR 17 4.050 1.188 -7.023 100 HA THR 17 HA THR 17 2.841 1.498 -4.444 101 HB THR 17 HB THR 17 2.762 3.945 -5.193 102 HG1 THR 17 HG1 THR 17 4.691 3.369 -7.106 103 HG21 THR 17 HG21 THR 17 4.524 3.025 -3.743 104 HG22 THR 17 HG22 THR 17 5.187 4.228 -4.850 105 HG23 THR 17 HG23 THR 17 5.422 2.509 -5.165 106 H VAL 18 H VAL 18 1.828 0.825 -7.503 107 HA VAL 18 HA VAL 18 -0.833 1.925 -7.167 108 HB VAL 18 HB VAL 18 0.346 0.303 -9.448 109 HG11 VAL 18 HG11 VAL 18 -2.251 1.846 -9.313 110 HG12 VAL 18 HG12 VAL 18 -2.094 0.091 -9.303 111 HG13 VAL 18 HG13 VAL 18 -1.610 1.009 -10.729 112 HG21 VAL 18 HG21 VAL 18 1.435 2.468 -9.232 113 HG22 VAL 18 HG22 VAL 18 -0.131 3.275 -9.208 114 HG23 VAL 18 HG23 VAL 18 0.407 2.439 -10.664 115 H CYS 19 H CYS 19 -2.496 0.676 -6.529 116 HA CYS 19 HA CYS 19 -1.887 -2.017 -5.688 117 HB2 CYS 19 HB2 CYS 19 -4.319 -0.286 -5.253 118 HB3 CYS 19 HB3 CYS 19 -4.068 -1.882 -4.557 119 H ALA 20 H ALA 20 -3.398 -3.686 -6.102 120 HA ALA 20 HA ALA 20 -4.135 -4.073 -8.756 121 HB1 ALA 20 HB1 ALA 20 -3.842 -5.912 -7.161 122 HB2 ALA 20 HB2 ALA 20 -5.424 -5.989 -7.941 123 HB3 ALA 20 HB3 ALA 20 -5.284 -5.384 -6.291 124 H SER 21 H SER 21 -6.003 -3.827 -9.837 125 HA SER 21 HA SER 21 -7.602 -1.637 -9.377 126 HB2 SER 21 HB2 SER 21 -7.251 -2.709 -11.578 127 HB3 SER 21 HB3 SER 21 -8.222 -4.083 -11.062 128 HG SER 21 HG SER 21 -10.001 -2.823 -11.026 129 H GLY 22 H GLY 22 -9.010 -1.305 -7.821 130 HA2 GLY 22 HA2 GLY 22 -11.221 -1.807 -6.967 131 HA3 GLY 22 HA3 GLY 22 -10.779 -3.506 -7.009 132 H THR 23 H THR 23 -8.040 -2.311 -5.907 133 HA THR 23 HA THR 23 -9.011 -2.290 -3.146 134 HB THR 23 HB THR 23 -6.790 -3.149 -2.449 135 HG1 THR 23 HG1 THR 23 -6.248 -2.926 -5.232 136 HG21 THR 23 HG21 THR 23 -8.073 -4.779 -4.638 137 HG22 THR 23 HG22 THR 23 -8.539 -4.763 -2.933 138 HG23 THR 23 HG23 THR 23 -6.971 -5.404 -3.408 139 H THR 24 H THR 24 -8.397 -0.612 -1.813 140 HA THR 24 HA THR 24 -7.297 1.630 -3.307 141 HB THR 24 HB THR 24 -8.146 3.008 -1.373 142 HG1 THR 24 HG1 THR 24 -8.994 0.437 -0.519 143 HG21 THR 24 HG21 THR 24 -10.497 2.862 -2.067 144 HG22 THR 24 HG22 THR 24 -10.155 1.317 -2.855 145 HG23 THR 24 HG23 THR 24 -9.395 2.797 -3.446 146 H CYS 25 H CYS 25 -5.382 2.515 -2.859 147 HA CYS 25 HA CYS 25 -3.764 1.318 -0.836 148 HB2 CYS 25 HB2 CYS 25 -2.659 2.083 -2.870 149 HB3 CYS 25 HB3 CYS 25 -3.247 3.723 -2.600 150 H GLN 26 H GLN 26 -4.050 1.789 1.179 151 HA GLN 26 HA GLN 26 -4.792 4.523 1.892 152 HB2 GLN 26 HB2 GLN 26 -5.317 1.928 3.347 153 HB3 GLN 26 HB3 GLN 26 -5.761 3.525 3.934 154 HG2 GLN 26 HG2 GLN 26 -7.291 3.832 2.086 155 HG3 GLN 26 HG3 GLN 26 -6.781 2.304 1.373 156 HE21 GLN 26 HE21 GLN 26 -8.869 1.509 1.405 157 HE22 GLN 26 HE22 GLN 26 -9.617 0.986 2.867 158 H VAL 27 H VAL 27 -3.156 5.595 2.720 159 HA VAL 27 HA VAL 27 -0.849 4.203 3.715 160 HB VAL 27 HB VAL 27 -1.360 7.228 3.716 161 HG11 VAL 27 HG11 VAL 27 1.180 5.710 3.981 162 HG12 VAL 27 HG12 VAL 27 0.364 6.645 5.233 163 HG13 VAL 27 HG13 VAL 27 1.030 7.459 3.815 164 HG21 VAL 27 HG21 VAL 27 -0.063 7.326 1.660 165 HG22 VAL 27 HG22 VAL 27 -1.516 6.348 1.438 166 HG23 VAL 27 HG23 VAL 27 0.051 5.566 1.636 167 H LEU 28 H LEU 28 -1.058 3.296 5.595 168 HA LEU 28 HA LEU 28 -3.010 4.199 7.554 169 HB2 LEU 28 HB2 LEU 28 -1.020 1.939 7.799 170 HB3 LEU 28 HB3 LEU 28 -2.447 2.188 8.774 171 HG LEU 28 HG LEU 28 -2.385 1.384 5.865 172 HD11 LEU 28 HD11 LEU 28 -3.223 -0.123 8.332 173 HD12 LEU 28 HD12 LEU 28 -1.758 -0.394 7.394 174 HD13 LEU 28 HD13 LEU 28 -3.336 -0.709 6.673 175 HD21 LEU 28 HD21 LEU 28 -4.301 2.822 6.317 176 HD22 LEU 28 HD22 LEU 28 -4.735 1.803 7.695 177 HD23 LEU 28 HD23 LEU 28 -4.801 1.147 6.057 178 H ASN 29 H ASN 29 0.417 3.703 7.320 179 HA ASN 29 HA ASN 29 0.899 5.507 9.588 180 HB2 ASN 29 HB2 ASN 29 2.573 3.131 8.685 181 HB3 ASN 29 HB3 ASN 29 2.908 4.188 10.047 182 HD21 ASN 29 HD21 ASN 29 1.043 1.586 8.854 183 HD22 ASN 29 HD22 ASN 29 0.445 1.023 10.363 184 HA PRO 30 HA PRO 30 3.102 7.722 6.509 185 HB2 PRO 30 HB2 PRO 30 5.691 7.615 7.820 186 HB3 PRO 30 HB3 PRO 30 4.704 9.029 7.457 187 HG2 PRO 30 HG2 PRO 30 4.959 8.201 10.002 188 HG3 PRO 30 HG3 PRO 30 3.419 8.824 9.394 189 HD2 PRO 30 HD2 PRO 30 4.273 5.975 9.794 190 HD3 PRO 30 HD3 PRO 30 2.731 6.733 10.200 191 H TYR 31 H TYR 31 4.948 4.941 7.724 192 HA TYR 31 HA TYR 31 6.265 4.786 5.114 193 HB2 TYR 31 HB2 TYR 31 6.863 3.137 7.583 194 HB3 TYR 31 HB3 TYR 31 7.817 3.270 6.127 195 HD1 TYR 31 HD1 TYR 31 9.238 5.166 5.728 196 HD2 TYR 31 HD2 TYR 31 6.879 4.993 9.267 197 HE1 TYR 31 HE1 TYR 31 10.578 6.957 6.710 198 HE2 TYR 31 HE2 TYR 31 8.229 6.772 10.250 199 HH TYR 31 HH TYR 31 10.279 8.688 8.461 200 H TYR 32 H TYR 32 3.888 3.214 7.105 201 HA TYR 32 HA TYR 32 3.817 1.004 5.190 202 HB2 TYR 32 HB2 TYR 32 3.970 0.311 7.598 203 HB3 TYR 32 HB3 TYR 32 2.419 1.076 7.862 204 HD1 TYR 32 HD1 TYR 32 0.347 -0.032 7.281 205 HD2 TYR 32 HD2 TYR 32 4.088 -1.666 6.043 206 HE1 TYR 32 HE1 TYR 32 -0.786 -2.081 6.547 207 HE2 TYR 32 HE2 TYR 32 2.950 -3.718 5.313 208 HH TYR 32 HH TYR 32 -0.453 -3.887 5.032 209 H SER 33 H SER 33 2.501 1.213 3.611 210 HA SER 33 HA SER 33 -0.183 2.301 4.079 211 HB2 SER 33 HB2 SER 33 1.395 2.185 1.494 212 HB3 SER 33 HB3 SER 33 -0.156 2.990 1.744 213 HG SER 33 HG SER 33 1.729 4.373 1.793 214 H GLN 34 H GLN 34 -1.880 1.033 2.940 215 HA GLN 34 HA GLN 34 -0.940 -1.559 1.990 216 HB2 GLN 34 HB2 GLN 34 -1.438 -1.720 4.437 217 HB3 GLN 34 HB3 GLN 34 -3.098 -1.269 4.074 218 HG2 GLN 34 HG2 GLN 34 -3.377 -3.259 2.742 219 HG3 GLN 34 HG3 GLN 34 -1.698 -3.714 3.032 220 HE21 GLN 34 HE21 GLN 34 -2.172 -5.627 4.056 221 HE22 GLN 34 HE22 GLN 34 -2.921 -5.674 5.601 222 H CYS 35 H CYS 35 -2.320 -2.555 0.580 223 HA CYS 35 HA CYS 35 -4.337 -0.856 -0.665 224 HB2 CYS 35 HB2 CYS 35 -3.308 -3.582 -1.484 225 HB3 CYS 35 HB3 CYS 35 -4.311 -2.518 -2.458 226 H LEU 36 H LEU 36 -6.261 -0.966 0.331 227 HA LEU 36 HA LEU 36 -7.276 -3.606 1.088 228 HB2 LEU 36 HB2 LEU 36 -8.050 -0.903 2.216 229 HB3 LEU 36 HB3 LEU 36 -8.871 -2.398 2.590 230 HG LEU 36 HG LEU 36 -7.552 -1.990 4.444 231 HD11 LEU 36 HD11 LEU 36 -5.961 -3.906 2.798 232 HD12 LEU 36 HD12 LEU 36 -7.373 -4.261 3.792 233 HD13 LEU 36 HD13 LEU 36 -5.877 -3.725 4.547 234 HD21 LEU 36 HD21 LEU 36 -5.188 -1.384 4.412 235 HD22 LEU 36 HD22 LEU 36 -6.189 -0.187 3.589 236 HD23 LEU 36 HD23 LEU 36 -5.226 -1.330 2.649 Start of MODEL 20 1 H1 THR 1 H1 THR 1 3.141 -4.346 -9.515 2 H2 THR 1 H2 THR 1 2.149 -3.743 -10.740 3 H3 THR 1 H3 THR 1 1.797 -5.222 -10.009 4 HA THR 1 HA THR 1 1.709 -2.637 -8.660 5 HB THR 1 HB THR 1 -0.711 -3.215 -8.511 6 HG1 THR 1 HG1 THR 1 -1.462 -4.749 -10.125 7 HG21 THR 1 HG21 THR 1 0.341 -2.863 -11.323 8 HG22 THR 1 HG22 THR 1 0.217 -1.598 -10.124 9 HG23 THR 1 HG23 THR 1 -1.255 -2.370 -10.735 10 H GLN 2 H GLN 2 0.171 -3.149 -6.631 11 HA GLN 2 HA GLN 2 1.436 -5.420 -5.280 12 HB2 GLN 2 HB2 GLN 2 1.718 -3.076 -4.363 13 HB3 GLN 2 HB3 GLN 2 -0.015 -3.096 -4.031 14 HG2 GLN 2 HG2 GLN 2 1.216 -3.726 -2.052 15 HG3 GLN 2 HG3 GLN 2 0.274 -5.092 -2.659 16 HE21 GLN 2 HE21 GLN 2 1.469 -6.744 -1.969 17 HE22 GLN 2 HE22 GLN 2 3.116 -7.025 -2.393 18 H SER 3 H SER 3 0.222 -6.960 -4.313 19 HA SER 3 HA SER 3 -2.373 -7.412 -5.272 20 HB2 SER 3 HB2 SER 3 -2.120 -9.363 -3.663 21 HB3 SER 3 HB3 SER 3 -0.925 -9.245 -4.957 22 HG SER 3 HG SER 3 -0.117 -9.650 -2.780 23 H HIS 4 H HIS 4 -4.135 -7.987 -3.751 24 HA HIS 4 HA HIS 4 -4.855 -5.835 -2.091 25 HB2 HIS 4 HB2 HIS 4 -6.374 -7.551 -3.272 26 HB3 HIS 4 HB3 HIS 4 -6.010 -8.621 -1.924 27 HD1 HIS 4 HD1 HIS 4 -8.794 -8.319 -1.838 28 HD2 HIS 4 HD2 HIS 4 -6.442 -5.182 -0.528 29 HE1 HIS 4 HE1 HIS 4 -10.327 -6.800 -0.565 30 HE2 HIS 4 HE2 HIS 4 -8.916 -4.748 -0.354 31 H TYR 5 H TYR 5 -4.512 -5.472 0.053 32 HA TYR 5 HA TYR 5 -3.899 -5.644 2.139 33 HB2 TYR 5 HB2 TYR 5 -3.880 -8.640 1.716 34 HB3 TYR 5 HB3 TYR 5 -3.520 -7.886 3.267 35 HD1 TYR 5 HD1 TYR 5 -5.303 -6.509 4.374 36 HD2 TYR 5 HD2 TYR 5 -6.103 -8.965 0.999 37 HE1 TYR 5 HE1 TYR 5 -7.702 -6.408 4.875 38 HE2 TYR 5 HE2 TYR 5 -8.506 -8.866 1.495 39 HH TYR 5 HH TYR 5 -9.940 -8.453 3.395 40 H GLY 6 H GLY 6 -2.018 -5.877 -0.316 41 HA2 GLY 6 HA2 GLY 6 0.428 -6.423 1.154 42 HA3 GLY 6 HA3 GLY 6 0.288 -6.107 -0.574 43 H GLN 7 H GLN 7 2.197 -4.768 0.735 44 HA GLN 7 HA GLN 7 1.184 -2.192 1.565 45 HB2 GLN 7 HB2 GLN 7 3.114 -3.191 2.711 46 HB3 GLN 7 HB3 GLN 7 4.033 -3.150 1.214 47 HG2 GLN 7 HG2 GLN 7 3.845 -0.696 1.204 48 HG3 GLN 7 HG3 GLN 7 2.970 -0.771 2.730 49 HE21 GLN 7 HE21 GLN 7 5.431 0.565 2.119 50 HE22 GLN 7 HE22 GLN 7 6.636 -0.077 3.151 51 H CYS 8 H CYS 8 0.575 -0.801 0.081 52 HA CYS 8 HA CYS 8 1.496 -0.807 -2.628 53 HB2 CYS 8 HB2 CYS 8 0.424 1.561 -2.495 54 HB3 CYS 8 HB3 CYS 8 -0.644 0.130 -2.489 55 H GLY 9 H GLY 9 1.947 1.485 0.030 56 HA2 GLY 9 HA2 GLY 9 4.584 1.712 -0.073 57 HA3 GLY 9 HA3 GLY 9 4.089 2.614 -1.493 58 H GLY 10 H GLY 10 5.019 2.882 1.516 59 HA2 GLY 10 HA2 GLY 10 3.462 5.291 2.011 60 HA3 GLY 10 HA3 GLY 10 4.399 4.390 3.197 61 H ILE 11 H ILE 11 5.620 6.406 3.564 62 HA ILE 11 HA ILE 11 7.374 7.454 1.612 63 HB ILE 11 HB ILE 11 7.780 7.288 4.613 64 HG12 ILE 11 HG12 ILE 11 6.597 9.548 2.989 65 HG13 ILE 11 HG13 ILE 11 5.660 8.408 3.948 66 HG21 ILE 11 HG21 ILE 11 9.270 9.224 4.314 67 HG22 ILE 11 HG22 ILE 11 9.051 9.104 2.563 68 HG23 ILE 11 HG23 ILE 11 9.834 7.795 3.451 69 HD11 ILE 11 HD11 ILE 11 6.778 9.187 5.966 70 HD12 ILE 11 HD12 ILE 11 5.979 10.512 5.115 71 HD13 ILE 11 HD13 ILE 11 7.729 10.317 5.006 72 H GLY 12 H GLY 12 9.098 6.522 0.692 73 HA2 GLY 12 HA2 GLY 12 11.271 5.507 1.016 74 HA3 GLY 12 HA3 GLY 12 10.534 4.502 2.261 75 H TYR 13 H TYR 13 8.187 4.291 0.286 76 HA TYR 13 HA TYR 13 9.234 1.846 -0.901 77 HB2 TYR 13 HB2 TYR 13 7.017 2.056 0.371 78 HB3 TYR 13 HB3 TYR 13 6.408 2.899 -1.044 79 HD1 TYR 13 HD1 TYR 13 6.506 -0.110 0.615 80 HD2 TYR 13 HD2 TYR 13 6.843 1.433 -3.321 81 HE1 TYR 13 HE1 TYR 13 5.819 -2.283 -0.282 82 HE2 TYR 13 HE2 TYR 13 6.157 -0.740 -4.230 83 HH TYR 13 HH TYR 13 4.673 -3.030 -2.483 84 H SER 14 H SER 14 9.813 1.754 -2.999 85 HA SER 14 HA SER 14 8.902 3.882 -4.799 86 HB2 SER 14 HB2 SER 14 11.208 3.448 -5.878 87 HB3 SER 14 HB3 SER 14 11.099 4.396 -4.395 88 HG SER 14 HG SER 14 12.666 2.478 -4.640 89 H GLY 15 H GLY 15 8.704 0.655 -4.229 90 HA2 GLY 15 HA2 GLY 15 8.961 -0.292 -6.952 91 HA3 GLY 15 HA3 GLY 15 8.431 -1.227 -5.557 92 HA PRO 16 HA PRO 16 4.525 -0.857 -7.903 93 HB2 PRO 16 HB2 PRO 16 3.702 -2.875 -5.922 94 HB3 PRO 16 HB3 PRO 16 3.616 -2.940 -7.683 95 HG2 PRO 16 HG2 PRO 16 5.386 -4.397 -6.353 96 HG3 PRO 16 HG3 PRO 16 5.794 -3.614 -7.896 97 HD2 PRO 16 HD2 PRO 16 6.468 -2.757 -5.091 98 HD3 PRO 16 HD3 PRO 16 7.508 -2.792 -6.534 99 H THR 17 H THR 17 4.016 1.227 -7.052 100 HA THR 17 HA THR 17 2.861 1.389 -4.411 101 HB THR 17 HB THR 17 2.683 3.852 -5.100 102 HG1 THR 17 HG1 THR 17 3.155 4.243 -7.085 103 HG21 THR 17 HG21 THR 17 5.082 4.227 -4.691 104 HG22 THR 17 HG22 THR 17 5.402 2.526 -5.049 105 HG23 THR 17 HG23 THR 17 4.452 2.959 -3.630 106 H VAL 18 H VAL 18 1.790 0.611 -7.416 107 HA VAL 18 HA VAL 18 -0.836 1.835 -7.104 108 HB VAL 18 HB VAL 18 0.302 0.183 -9.381 109 HG11 VAL 18 HG11 VAL 18 -1.639 0.943 -10.682 110 HG12 VAL 18 HG12 VAL 18 -2.296 1.707 -9.231 111 HG13 VAL 18 HG13 VAL 18 -2.103 -0.041 -9.295 112 HG21 VAL 18 HG21 VAL 18 -0.144 3.158 -9.203 113 HG22 VAL 18 HG22 VAL 18 0.426 2.280 -10.625 114 HG23 VAL 18 HG23 VAL 18 1.413 2.337 -9.163 115 H CYS 19 H CYS 19 -2.506 0.676 -6.420 116 HA CYS 19 HA CYS 19 -2.001 -2.026 -5.541 117 HB2 CYS 19 HB2 CYS 19 -4.339 -0.176 -5.145 118 HB3 CYS 19 HB3 CYS 19 -4.196 -1.780 -4.439 119 H ALA 20 H ALA 20 -3.541 -3.691 -5.899 120 HA ALA 20 HA ALA 20 -4.196 -4.305 -8.489 121 HB1 ALA 20 HB1 ALA 20 -4.073 -5.943 -6.690 122 HB2 ALA 20 HB2 ALA 20 -5.641 -6.048 -7.498 123 HB3 ALA 20 HB3 ALA 20 -5.503 -5.244 -5.939 124 H SER 21 H SER 21 -6.234 -4.429 -9.581 125 HA SER 21 HA SER 21 -7.636 -2.108 -9.818 126 HB2 SER 21 HB2 SER 21 -8.676 -4.867 -10.420 127 HB3 SER 21 HB3 SER 21 -9.088 -3.362 -11.238 128 HG SER 21 HG SER 21 -7.281 -5.017 -11.918 129 H GLY 22 H GLY 22 -8.793 -1.146 -8.209 130 HA2 GLY 22 HA2 GLY 22 -10.985 -0.976 -7.281 131 HA3 GLY 22 HA3 GLY 22 -10.988 -2.725 -7.100 132 H THR 23 H THR 23 -8.086 -2.249 -6.074 133 HA THR 23 HA THR 23 -9.020 -1.972 -3.334 134 HB THR 23 HB THR 23 -6.876 -2.956 -2.632 135 HG1 THR 23 HG1 THR 23 -6.250 -2.658 -5.389 136 HG21 THR 23 HG21 THR 23 -7.086 -5.159 -3.689 137 HG22 THR 23 HG22 THR 23 -8.101 -4.451 -4.947 138 HG23 THR 23 HG23 THR 23 -8.664 -4.487 -3.278 139 H THR 24 H THR 24 -8.249 -0.410 -1.928 140 HA THR 24 HA THR 24 -7.096 1.855 -3.345 141 HB THR 24 HB THR 24 -7.987 3.202 -1.419 142 HG1 THR 24 HG1 THR 24 -8.872 0.638 -0.616 143 HG21 THR 24 HG21 THR 24 -10.318 3.123 -2.185 144 HG22 THR 24 HG22 THR 24 -9.995 1.574 -2.974 145 HG23 THR 24 HG23 THR 24 -9.183 3.034 -3.537 146 H CYS 25 H CYS 25 -5.232 2.786 -2.700 147 HA CYS 25 HA CYS 25 -3.704 1.392 -0.708 148 HB2 CYS 25 HB2 CYS 25 -2.500 2.214 -2.683 149 HB3 CYS 25 HB3 CYS 25 -3.023 3.859 -2.331 150 H GLN 26 H GLN 26 -3.903 1.828 1.315 151 HA GLN 26 HA GLN 26 -4.704 4.530 2.104 152 HB2 GLN 26 HB2 GLN 26 -5.241 1.903 3.491 153 HB3 GLN 26 HB3 GLN 26 -5.699 3.484 4.100 154 HG2 GLN 26 HG2 GLN 26 -7.167 3.825 2.197 155 HG3 GLN 26 HG3 GLN 26 -6.683 2.267 1.531 156 HE21 GLN 26 HE21 GLN 26 -8.740 1.490 1.556 157 HE22 GLN 26 HE22 GLN 26 -9.566 1.039 3.004 158 H VAL 27 H VAL 27 -3.140 5.573 3.023 159 HA VAL 27 HA VAL 27 -0.796 4.213 3.937 160 HB VAL 27 HB VAL 27 -1.453 7.204 4.003 161 HG11 VAL 27 HG11 VAL 27 1.103 5.766 4.416 162 HG12 VAL 27 HG12 VAL 27 0.237 6.777 5.577 163 HG13 VAL 27 HG13 VAL 27 0.971 7.502 4.141 164 HG21 VAL 27 HG21 VAL 27 -1.458 6.334 1.731 165 HG22 VAL 27 HG22 VAL 27 0.131 5.623 1.999 166 HG23 VAL 27 HG23 VAL 27 -0.062 7.377 2.015 167 H LEU 28 H LEU 28 -1.178 3.094 5.675 168 HA LEU 28 HA LEU 28 -2.970 3.870 7.795 169 HB2 LEU 28 HB2 LEU 28 -1.017 1.573 7.672 170 HB3 LEU 28 HB3 LEU 28 -2.303 1.756 8.844 171 HG LEU 28 HG LEU 28 -2.662 1.295 5.879 172 HD11 LEU 28 HD11 LEU 28 -3.544 -0.875 6.563 173 HD12 LEU 28 HD12 LEU 28 -3.144 -0.505 8.242 174 HD13 LEU 28 HD13 LEU 28 -1.861 -0.674 7.048 175 HD21 LEU 28 HD21 LEU 28 -4.688 1.520 8.088 176 HD22 LEU 28 HD22 LEU 28 -5.030 1.024 6.428 177 HD23 LEU 28 HD23 LEU 28 -4.454 2.662 6.762 178 H ASN 29 H ASN 29 0.426 3.597 7.312 179 HA ASN 29 HA ASN 29 0.953 5.358 9.587 180 HB2 ASN 29 HB2 ASN 29 2.576 2.923 8.708 181 HB3 ASN 29 HB3 ASN 29 3.180 4.182 9.771 182 HD21 ASN 29 HD21 ASN 29 1.082 1.472 9.470 183 HD22 ASN 29 HD22 ASN 29 0.785 1.237 11.140 184 HA PRO 30 HA PRO 30 2.821 7.705 6.382 185 HB2 PRO 30 HB2 PRO 30 5.439 7.790 7.703 186 HB3 PRO 30 HB3 PRO 30 4.378 9.131 7.265 187 HG2 PRO 30 HG2 PRO 30 4.687 8.392 9.835 188 HG3 PRO 30 HG3 PRO 30 3.133 8.975 9.216 189 HD2 PRO 30 HD2 PRO 30 4.009 6.171 9.796 190 HD3 PRO 30 HD3 PRO 30 2.427 6.915 10.047 191 H TYR 31 H TYR 31 4.656 5.026 7.612 192 HA TYR 31 HA TYR 31 6.023 4.769 5.033 193 HB2 TYR 31 HB2 TYR 31 6.651 3.469 7.684 194 HB3 TYR 31 HB3 TYR 31 7.592 3.283 6.207 195 HD1 TYR 31 HD1 TYR 31 6.625 5.647 8.876 196 HD2 TYR 31 HD2 TYR 31 9.078 5.007 5.467 197 HE1 TYR 31 HE1 TYR 31 7.916 7.624 9.455 198 HE2 TYR 31 HE2 TYR 31 10.378 7.002 6.033 199 HH TYR 31 HH TYR 31 10.153 8.487 9.039 200 H TYR 32 H TYR 32 3.660 3.208 7.094 201 HA TYR 32 HA TYR 32 3.717 0.894 5.298 202 HB2 TYR 32 HB2 TYR 32 3.764 0.403 7.817 203 HB3 TYR 32 HB3 TYR 32 2.130 1.043 7.860 204 HD1 TYR 32 HD1 TYR 32 4.194 -1.633 6.356 205 HD2 TYR 32 HD2 TYR 32 0.243 -0.275 7.206 206 HE1 TYR 32 HE1 TYR 32 3.297 -3.811 5.663 207 HE2 TYR 32 HE2 TYR 32 -0.649 -2.464 6.522 208 HH TYR 32 HH TYR 32 1.301 -5.175 6.094 209 H SER 33 H SER 33 2.379 1.010 3.676 210 HA SER 33 HA SER 33 -0.276 2.129 4.159 211 HB2 SER 33 HB2 SER 33 1.353 2.361 1.627 212 HB3 SER 33 HB3 SER 33 -0.202 3.135 1.971 213 HG SER 33 HG SER 33 1.447 3.760 3.934 214 H GLN 34 H GLN 34 -1.917 0.836 3.301 215 HA GLN 34 HA GLN 34 -0.947 -1.657 2.098 216 HB2 GLN 34 HB2 GLN 34 -1.525 -1.856 4.527 217 HB3 GLN 34 HB3 GLN 34 -3.168 -1.393 4.117 218 HG2 GLN 34 HG2 GLN 34 -3.453 -3.360 2.799 219 HG3 GLN 34 HG3 GLN 34 -1.765 -3.831 3.057 220 HE21 GLN 34 HE21 GLN 34 -2.206 -5.739 4.064 221 HE22 GLN 34 HE22 GLN 34 -2.956 -5.834 5.610 222 H CYS 35 H CYS 35 -2.314 -2.631 0.648 223 HA CYS 35 HA CYS 35 -4.221 -0.878 -0.663 224 HB2 CYS 35 HB2 CYS 35 -3.201 -3.622 -1.415 225 HB3 CYS 35 HB3 CYS 35 -4.252 -2.625 -2.411 226 H LEU 36 H LEU 36 -6.153 -0.884 0.251 227 HA LEU 36 HA LEU 36 -7.346 -3.451 0.984 228 HB2 LEU 36 HB2 LEU 36 -8.038 -0.688 2.021 229 HB3 LEU 36 HB3 LEU 36 -8.934 -2.138 2.394 230 HG LEU 36 HG LEU 36 -7.673 -1.725 4.295 231 HD11 LEU 36 HD11 LEU 36 -6.131 -3.761 2.774 232 HD12 LEU 36 HD12 LEU 36 -7.580 -4.016 3.741 233 HD13 LEU 36 HD13 LEU 36 -6.074 -3.514 4.516 234 HD21 LEU 36 HD21 LEU 36 -5.241 -1.253 2.594 235 HD22 LEU 36 HD22 LEU 36 -5.294 -1.237 4.358 236 HD23 LEU 36 HD23 LEU 36 -6.185 -0.025 3.438
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