NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607750 | 5lcs | 34014 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PCA 1 HT2 PCA 1 -9.705 6.380 -1.461 2 HA PCA 1 HA PCA 1 -10.542 4.411 -1.284 3 HB2 PCA 1 HB2 PCA 1 -11.094 3.600 0.772 4 HB3 PCA 1 HB3 PCA 1 -12.390 4.788 0.970 5 HG2 PCA 1 HG2 PCA 1 -9.602 4.944 1.871 6 HG3 PCA 1 HG3 PCA 1 -10.984 5.989 2.307 7 HT1 PCA 1 HT1 PCA 1 -11.091 7.149 -0.996 8 HA PRO 2 HA PRO 2 -14.420 5.824 -3.289 9 HB2 PRO 2 HB3 PRO 2 -13.646 4.034 -5.441 10 HB3 PRO 2 HB2 PRO 2 -13.864 5.784 -5.494 11 HG2 PRO 2 HG3 PRO 2 -11.438 4.575 -5.762 12 HG3 PRO 2 HG2 PRO 2 -11.646 6.204 -5.091 13 HD2 PRO 2 HD3 PRO 2 -11.246 3.597 -3.660 14 HD3 PRO 2 HD2 PRO 2 -10.522 5.188 -3.326 15 H PHE 3 HN PHE 3 -12.909 2.635 -3.506 16 HA PHE 3 HA PHE 3 -15.370 1.234 -3.029 17 HB2 PHE 3 HB3 PHE 3 -14.138 -0.740 -3.329 18 HB3 PHE 3 HB2 PHE 3 -13.264 0.402 -4.343 19 HD1 PHE 3 HD1 PHE 3 -12.973 -2.022 -1.817 20 HD2 PHE 3 HD2 PHE 3 -11.257 1.634 -3.167 21 HE1 PHE 3 HE1 PHE 3 -10.920 -2.523 -0.562 22 HE2 PHE 3 HE2 PHE 3 -9.205 1.137 -1.911 23 HZ PHE 3 HZ PHE 3 -9.039 -0.940 -0.604 24 H ILE 4 HN ILE 4 -15.529 -0.261 -1.102 25 HA ILE 4 HA ILE 4 -14.684 1.136 1.292 26 HB ILE 4 HB ILE 4 -16.962 0.306 1.267 27 HG12 ILE 4 HG12 ILE 4 -16.935 -1.094 3.345 28 HG13 ILE 4 HG11 ILE 4 -15.187 -1.222 3.179 29 HG21 ILE 4 HG21 ILE 4 -15.734 -2.413 0.844 30 HG22 ILE 4 HG22 ILE 4 -16.814 -1.536 -0.245 31 HG23 ILE 4 HG23 ILE 4 -17.418 -2.141 1.296 32 HD11 ILE 4 HD11 ILE 4 -16.758 1.305 3.616 33 HD12 ILE 4 HD12 ILE 4 -15.013 1.218 3.388 34 HD13 ILE 4 HD13 ILE 4 -15.755 0.467 4.799 35 HA PRO 5 HA PRO 5 -10.848 -1.214 1.355 36 HB2 PRO 5 HB3 PRO 5 -10.920 0.013 4.075 37 HB3 PRO 5 HB2 PRO 5 -9.588 -0.097 2.917 38 HG2 PRO 5 HG3 PRO 5 -10.906 2.183 3.217 39 HG3 PRO 5 HG2 PRO 5 -10.408 1.634 1.606 40 HD2 PRO 5 HD3 PRO 5 -13.106 1.608 2.866 41 HD3 PRO 5 HD2 PRO 5 -12.656 1.862 1.171 42 H ARG 6 HN ARG 6 -11.122 -3.299 1.566 43 HA ARG 6 HA ARG 6 -12.573 -4.533 3.726 44 HB2 ARG 6 HB3 ARG 6 -10.742 -5.878 1.728 45 HB3 ARG 6 HB2 ARG 6 -12.108 -6.581 2.578 46 HG2 ARG 6 HG3 ARG 6 -12.319 -4.424 0.488 47 HG3 ARG 6 HG2 ARG 6 -12.573 -6.144 0.197 48 HD2 ARG 6 HD3 ARG 6 -14.162 -4.424 2.095 49 HD3 ARG 6 HD2 ARG 6 -14.680 -4.917 0.485 50 HE ARG 6 HE ARG 6 -14.020 -7.186 2.049 51 HH11 ARG 6 HH11 ARG 6 -16.492 -4.748 1.630 52 HH12 ARG 6 HH12 ARG 6 -17.760 -5.733 2.280 53 HH21 ARG 6 HH21 ARG 6 -15.677 -8.491 2.899 54 HH22 ARG 6 HH22 ARG 6 -17.294 -7.872 3.010 55 HA PRO 7 HA PRO 7 -9.253 -5.573 6.644 56 HB2 PRO 7 HB3 PRO 7 -9.026 -8.288 5.396 57 HB3 PRO 7 HB2 PRO 7 -9.065 -7.839 7.106 58 HG2 PRO 7 HG3 PRO 7 -11.231 -8.827 5.935 59 HG3 PRO 7 HG2 PRO 7 -11.363 -7.496 7.100 60 HD2 PRO 7 HD3 PRO 7 -11.624 -7.453 4.139 61 HD3 PRO 7 HD2 PRO 7 -12.416 -6.436 5.356 62 H ILE 8 HN ILE 8 -7.144 -5.068 6.577 63 HA ILE 8 HA ILE 8 -5.841 -4.478 4.182 64 HB ILE 8 HB ILE 8 -4.826 -4.720 7.001 65 HG12 ILE 8 HG12 ILE 8 -5.256 -2.374 5.156 66 HG13 ILE 8 HG11 ILE 8 -6.301 -2.833 6.491 67 HG21 ILE 8 HG21 ILE 8 -2.950 -5.286 5.568 68 HG22 ILE 8 HG22 ILE 8 -2.725 -3.677 6.257 69 HG23 ILE 8 HG23 ILE 8 -3.248 -3.854 4.581 70 HD11 ILE 8 HD11 ILE 8 -4.554 -2.310 8.070 71 HD12 ILE 8 HD12 ILE 8 -4.843 -0.930 7.010 72 HD13 ILE 8 HD13 ILE 8 -3.435 -1.960 6.754 73 H ASP 9 HN ASP 9 -4.676 -5.590 2.824 74 HA ASP 9 HA ASP 9 -3.754 -8.275 3.543 75 HB2 ASP 9 HB3 ASP 9 -4.240 -6.952 0.874 76 HB3 ASP 9 HB2 ASP 9 -3.359 -8.473 1.024 77 H THR 10 HN THR 10 -1.641 -8.914 2.662 78 HA THR 10 HA THR 10 0.358 -6.862 3.012 79 HB THR 10 HB THR 10 1.955 -8.763 2.541 80 HG1 THR 10 HG2 THR 10 0.949 -10.877 2.654 81 HG21 THR 10 HG21 THR 10 -0.061 -9.169 4.752 82 HG22 THR 10 HG22 THR 10 1.331 -8.089 4.814 83 HG23 THR 10 HG23 THR 10 1.572 -9.833 4.706 84 H CYS 11 HN CYS 11 2.312 -7.302 1.265 85 HA CYS 11 HA CYS 11 1.543 -5.999 -1.078 86 HB2 CYS 11 HB3 CYS 11 3.851 -6.094 -0.091 87 HB3 CYS 11 HB2 CYS 11 3.993 -7.729 -0.721 88 H ARG 12 HN ARG 12 0.784 -9.129 -0.305 89 HA ARG 12 HA ARG 12 0.959 -10.538 -2.682 90 HB2 ARG 12 HB3 ARG 12 -0.820 -11.889 -1.930 91 HB3 ARG 12 HB2 ARG 12 0.065 -11.394 -0.501 92 HG2 ARG 12 HG3 ARG 12 -1.635 -10.068 0.265 93 HG3 ARG 12 HG2 ARG 12 -2.324 -9.838 -1.347 94 HD2 ARG 12 HD3 ARG 12 -2.823 -12.296 -1.345 95 HD3 ARG 12 HD2 ARG 12 -2.419 -12.304 0.369 96 HE ARG 12 HE ARG 12 -4.255 -10.612 0.616 97 HH11 ARG 12 HH11 ARG 12 -4.277 -12.958 -1.989 98 HH12 ARG 12 HH12 ARG 12 -5.992 -12.881 -2.209 99 HH21 ARG 12 HH21 ARG 12 -6.502 -10.512 0.330 100 HH22 ARG 12 HH22 ARG 12 -7.264 -11.487 -0.892 101 H LEU 13 HN LEU 13 -1.365 -8.020 -1.733 102 HA LEU 13 HA LEU 13 -2.383 -7.867 -4.457 103 HB2 LEU 13 HB3 LEU 13 -2.866 -6.327 -1.924 104 HB3 LEU 13 HB2 LEU 13 -3.265 -5.589 -3.459 105 HG LEU 13 HG LEU 13 -4.786 -7.494 -3.939 106 HD11 LEU 13 HD11 LEU 13 -3.766 -9.196 -2.571 107 HD12 LEU 13 HD12 LEU 13 -5.443 -8.956 -2.081 108 HD13 LEU 13 HD13 LEU 13 -4.134 -8.281 -1.109 109 HD21 LEU 13 HD21 LEU 13 -5.643 -5.418 -3.015 110 HD22 LEU 13 HD22 LEU 13 -5.314 -5.993 -1.379 111 HD23 LEU 13 HD23 LEU 13 -6.531 -6.799 -2.371 112 H ARG 14 HN ARG 14 -0.806 -7.248 -5.868 113 HA ARG 14 HA ARG 14 1.245 -5.463 -4.819 114 HB2 ARG 14 HB3 ARG 14 2.044 -7.660 -5.307 115 HB3 ARG 14 HB2 ARG 14 1.267 -7.656 -6.884 116 HG2 ARG 14 HG3 ARG 14 3.539 -7.318 -7.277 117 HG3 ARG 14 HG2 ARG 14 2.750 -5.753 -7.477 118 HD2 ARG 14 HD3 ARG 14 3.426 -5.133 -5.194 119 HD3 ARG 14 HD2 ARG 14 4.281 -6.674 -5.052 120 HE ARG 14 HE ARG 14 5.108 -5.187 -7.352 121 HH11 ARG 14 HH11 ARG 14 5.535 -5.458 -3.893 122 HH12 ARG 14 HH12 ARG 14 7.165 -4.857 -3.923 123 HH21 ARG 14 HH21 ARG 14 7.237 -4.385 -7.397 124 HH22 ARG 14 HH22 ARG 14 8.120 -4.212 -5.915 125 H ASN 15 HN ASN 15 2.389 -4.158 -6.430 126 HA ASN 15 HA ASN 15 2.682 -2.797 -8.184 127 HB2 ASN 15 HB3 ASN 15 1.858 -4.736 -9.567 128 HB3 ASN 15 HB2 ASN 15 0.252 -4.021 -9.491 129 HD21 ASN 15 HD21 ASN 15 -0.158 -2.110 -10.620 130 HD22 ASN 15 HD22 ASN 15 0.905 -1.526 -11.848 131 H GLY 16 HN GLY 16 1.892 -1.452 -6.293 132 HA2 GLY 16 HA3 GLY 16 -0.068 0.324 -7.587 133 HA3 GLY 16 HA2 GLY 16 -0.041 0.118 -5.840 134 H ILE 17 HN ILE 17 2.529 0.285 -5.101 135 HA ILE 17 HA ILE 17 4.237 1.827 -6.795 136 HB ILE 17 HB ILE 17 3.200 3.121 -4.254 137 HG12 ILE 17 HG12 ILE 17 2.109 3.733 -6.424 138 HG13 ILE 17 HG11 ILE 17 2.864 5.088 -5.592 139 HG21 ILE 17 HG21 ILE 17 5.727 3.822 -5.736 140 HG22 ILE 17 HG22 ILE 17 5.626 3.110 -4.127 141 HG23 ILE 17 HG23 ILE 17 5.023 4.743 -4.408 142 HD11 ILE 17 HD11 ILE 17 4.019 3.591 -7.930 143 HD12 ILE 17 HD12 ILE 17 4.773 4.950 -7.094 144 HD13 ILE 17 HD13 ILE 17 3.263 5.183 -7.976 145 H CYS 18 HN CYS 18 6.414 1.410 -6.217 146 HA CYS 18 HA CYS 18 6.831 0.214 -3.556 147 HB2 CYS 18 HB3 CYS 18 7.995 -0.419 -6.170 148 HB3 CYS 18 HB2 CYS 18 9.201 -0.184 -4.907 149 H PHE 19 HN PHE 19 7.516 1.681 -2.149 150 HA PHE 19 HA PHE 19 8.878 4.066 -3.145 151 HB2 PHE 19 HB3 PHE 19 7.498 3.359 -0.573 152 HB3 PHE 19 HB2 PHE 19 8.557 4.753 -0.667 153 HD1 PHE 19 HD1 PHE 19 5.276 3.558 -1.091 154 HD2 PHE 19 HD2 PHE 19 8.016 6.482 -2.532 155 HE1 PHE 19 HE1 PHE 19 3.399 4.879 -1.974 156 HE2 PHE 19 HE2 PHE 19 6.141 7.800 -3.419 157 HZ PHE 19 HZ PHE 19 3.853 7.088 -3.049 158 HA PRO 20 HA PRO 20 12.599 2.813 -0.969 159 HB2 PRO 20 HB3 PRO 20 14.133 4.909 -1.672 160 HB3 PRO 20 HB2 PRO 20 13.801 3.580 -2.790 161 HG2 PRO 20 HG3 PRO 20 12.670 6.330 -2.725 162 HG3 PRO 20 HG2 PRO 20 12.982 5.273 -4.111 163 HD2 PRO 20 HD3 PRO 20 10.498 5.698 -2.852 164 HD3 PRO 20 HD2 PRO 20 10.879 4.429 -4.030 165 H GLY 21 HN GLY 21 11.986 3.049 1.123 166 HA2 GLY 21 HA3 GLY 21 12.167 4.577 3.082 167 HA3 GLY 21 HA2 GLY 21 11.339 5.766 2.081 168 H ILE 22 HN ILE 22 9.323 6.008 2.915 169 HA ILE 22 HA ILE 22 7.713 3.569 3.218 170 HB ILE 22 HB ILE 22 6.616 4.520 5.236 171 HG12 ILE 22 HG12 ILE 22 8.975 6.412 5.281 172 HG13 ILE 22 HG11 ILE 22 7.332 6.876 4.851 173 HG21 ILE 22 HG21 ILE 22 8.250 2.764 5.462 174 HG22 ILE 22 HG22 ILE 22 8.413 3.905 6.797 175 HG23 ILE 22 HG23 ILE 22 9.563 3.942 5.461 176 HD11 ILE 22 HD11 ILE 22 7.858 7.478 7.144 177 HD12 ILE 22 HD12 ILE 22 8.219 5.793 7.514 178 HD13 ILE 22 HD13 ILE 22 6.576 6.268 7.087 179 H CYS 23 HN CYS 23 5.477 3.850 3.074 180 HA CYS 23 HA CYS 23 4.519 5.937 1.360 181 HB2 CYS 23 HB3 CYS 23 2.352 4.498 2.251 182 HB3 CYS 23 HB2 CYS 23 3.313 4.066 0.846 183 H ARG 24 HN ARG 24 3.498 7.805 2.049 184 HA ARG 24 HA ARG 24 2.527 7.764 4.833 185 HB2 ARG 24 HB3 ARG 24 2.929 10.198 4.920 186 HB3 ARG 24 HB2 ARG 24 4.401 9.277 4.644 187 HG2 ARG 24 HG3 ARG 24 4.440 9.885 2.340 188 HG3 ARG 24 HG2 ARG 24 2.832 10.603 2.445 189 HD2 ARG 24 HD3 ARG 24 4.532 12.333 2.437 190 HD3 ARG 24 HD2 ARG 24 3.703 12.295 3.991 191 HE ARG 24 HE ARG 24 6.118 10.737 3.939 192 HH11 ARG 24 HH11 ARG 24 4.782 13.935 4.422 193 HH12 ARG 24 HH12 ARG 24 6.120 14.490 5.376 194 HH21 ARG 24 HH21 ARG 24 7.881 11.453 5.198 195 HH22 ARG 24 HH22 ARG 24 7.887 13.077 5.818 196 H ARG 25 HN ARG 25 1.835 9.034 1.568 197 HA ARG 25 HA ARG 25 -0.909 8.602 1.659 198 HB2 ARG 25 HB3 ARG 25 -0.114 11.329 2.617 199 HB3 ARG 25 HB2 ARG 25 -1.524 11.181 1.587 200 HG2 ARG 25 HG3 ARG 25 -1.140 9.823 4.246 201 HG3 ARG 25 HG2 ARG 25 -2.109 11.263 3.950 202 HD2 ARG 25 HD3 ARG 25 -3.639 10.018 2.574 203 HD3 ARG 25 HD2 ARG 25 -2.615 8.585 2.654 204 HE ARG 25 HE ARG 25 -3.117 8.994 5.235 205 HH11 ARG 25 HH11 ARG 25 -5.300 8.943 2.486 206 HH12 ARG 25 HH12 ARG 25 -6.659 8.416 3.422 207 HH21 ARG 25 HH21 ARG 25 -4.913 8.318 6.463 208 HH22 ARG 25 HH22 ARG 25 -6.442 8.065 5.684 209 HA PRO 26 HA PRO 26 -2.370 8.480 0.598 210 HB2 PRO 26 HB3 PRO 26 -3.501 8.043 -1.986 211 HB3 PRO 26 HB2 PRO 26 -4.105 9.132 -0.730 212 HG2 PRO 26 HG3 PRO 26 -3.110 9.954 -3.167 213 HG3 PRO 26 HG2 PRO 26 -3.136 10.964 -1.705 214 HD2 PRO 26 HD3 PRO 26 -0.880 9.347 -2.853 215 HD3 PRO 26 HD2 PRO 26 -0.857 10.991 -2.172 216 H TYR 27 HN TYR 27 -1.206 6.628 1.058 217 HA TYR 27 HA TYR 27 -1.114 4.502 -0.869 218 HB2 TYR 27 HB3 TYR 27 1.513 5.607 0.158 219 HB3 TYR 27 HB2 TYR 27 1.318 4.156 -0.806 220 HD1 TYR 27 HD1 TYR 27 0.828 4.300 -3.197 221 HD2 TYR 27 HD2 TYR 27 1.401 7.805 -0.863 222 HE1 TYR 27 HE1 TYR 27 1.158 5.606 -5.248 223 HE2 TYR 27 HE2 TYR 27 1.722 9.115 -2.912 224 HH TYR 27 HH TYR 27 1.082 7.821 -6.052 225 H TYR 28 HN TYR 28 -1.198 2.638 0.173 226 HA TYR 28 HA TYR 28 -0.848 2.742 3.083 227 HB2 TYR 28 HB3 TYR 28 -2.399 0.783 3.155 228 HB3 TYR 28 HB2 TYR 28 -3.138 2.253 2.537 229 HD1 TYR 28 HD1 TYR 28 -2.440 -1.206 1.902 230 HD2 TYR 28 HD2 TYR 28 -3.402 2.482 0.005 231 HE1 TYR 28 HE1 TYR 28 -3.207 -2.430 -0.088 232 HE2 TYR 28 HE2 TYR 28 -4.170 1.266 -1.982 233 HH TYR 28 HH TYR 28 -3.831 -0.904 -3.063 234 H TRP 29 HN TRP 29 0.627 1.536 3.991 235 HA TRP 29 HA TRP 29 2.552 0.195 2.441 236 HB2 TRP 29 HB3 TRP 29 3.044 1.293 4.595 237 HB3 TRP 29 HB2 TRP 29 2.085 0.090 5.425 238 HD1 TRP 29 HD1 TRP 29 5.472 0.568 3.717 239 HE1 TRP 29 HE1 TRP 29 7.000 -1.389 4.355 240 HE3 TRP 29 HE3 TRP 29 2.060 -2.367 6.112 241 HZ2 TRP 29 HZ2 TRP 29 6.792 -3.864 5.686 242 HZ3 TRP 29 HZ3 TRP 29 2.803 -4.525 7.038 243 HH2 TRP 29 HH2 TRP 29 5.123 -5.256 6.823 244 H ILE 30 HN ILE 30 2.200 -1.615 1.436 245 HA ILE 30 HA ILE 30 0.984 -3.842 2.922 246 HB ILE 30 HB ILE 30 0.661 -4.805 0.532 247 HG12 ILE 30 HG12 ILE 30 0.713 -1.849 -0.133 248 HG13 ILE 30 HG11 ILE 30 1.996 -2.974 -0.557 249 HG21 ILE 30 HG21 ILE 30 -1.033 -2.524 1.526 250 HG22 ILE 30 HG22 ILE 30 -1.171 -4.216 2.003 251 HG23 ILE 30 HG23 ILE 30 -1.537 -3.733 0.346 252 HD11 ILE 30 HD11 ILE 30 0.466 -4.210 -1.970 253 HD12 ILE 30 HD12 ILE 30 0.521 -2.509 -2.428 254 HD13 ILE 30 HD13 ILE 30 -0.851 -3.126 -1.506 255 H GLY 31 HN GLY 31 2.906 -4.554 3.793 256 HA2 GLY 31 HA3 GLY 31 4.806 -5.853 3.841 257 HA3 GLY 31 HA2 GLY 31 4.541 -6.196 2.140 258 H THR 32 HN THR 32 7.064 -6.019 2.642 259 HA THR 32 HA THR 32 7.938 -3.227 2.491 260 HB THR 32 HB THR 32 10.095 -5.140 2.528 261 HG1 THR 32 HG2 THR 32 7.937 -5.523 4.307 262 HG21 THR 32 HG21 THR 32 10.341 -2.831 3.242 263 HG22 THR 32 HG22 THR 32 10.686 -3.909 4.596 264 HG23 THR 32 HG23 THR 32 9.134 -3.072 4.507 265 H CYS 33 HN CYS 33 9.734 -2.715 1.007 266 HA CYS 33 HA CYS 33 9.900 -4.423 -1.367 267 HB2 CYS 33 HB3 CYS 33 8.263 -2.474 -1.693 268 HB3 CYS 33 HB2 CYS 33 9.663 -1.414 -1.585 269 H ASN 34 HN ASN 34 11.780 -3.191 -2.829 270 HA ASN 34 HA ASN 34 14.055 -3.100 -2.973 271 HB2 ASN 34 HB3 ASN 34 13.713 -1.370 -0.516 272 HB3 ASN 34 HB2 ASN 34 15.185 -1.481 -1.471 273 HD21 ASN 34 HD21 ASN 34 13.497 0.800 -0.862 274 HD22 ASN 34 HD22 ASN 34 13.035 1.459 -2.388 275 H ASN 35 HN ASN 35 12.864 -5.241 -1.363 276 HA ASN 35 HA ASN 35 13.507 -7.046 -0.169 277 HB2 ASN 35 HB3 ASN 35 15.633 -6.595 -1.641 278 HB3 ASN 35 HB2 ASN 35 16.358 -6.126 -0.107 279 HD21 ASN 35 HD21 ASN 35 16.691 -7.699 1.484 280 HD22 ASN 35 HD22 ASN 35 16.618 -9.388 1.125 281 H GLY 36 HN GLY 36 12.991 -4.332 1.151 282 HA2 GLY 36 HA3 GLY 36 12.540 -4.857 3.627 283 HA3 GLY 36 HA2 GLY 36 14.287 -4.955 3.723 284 H ILE 37 HN ILE 37 14.770 -2.688 1.942 285 HA ILE 37 HA ILE 37 14.513 -0.691 4.003 286 HB ILE 37 HB ILE 37 15.653 0.698 2.005 287 HG12 ILE 37 HG12 ILE 37 16.597 -2.138 1.575 288 HG13 ILE 37 HG11 ILE 37 15.489 -1.290 0.500 289 HG21 ILE 37 HG21 ILE 37 16.548 0.432 4.242 290 HG22 ILE 37 HG22 ILE 37 17.807 0.126 3.046 291 HG23 ILE 37 HG23 ILE 37 17.033 -1.224 3.876 292 HD11 ILE 37 HD11 ILE 37 18.295 -0.445 1.152 293 HD12 ILE 37 HD12 ILE 37 17.187 0.384 0.058 294 HD13 ILE 37 HD13 ILE 37 17.769 -1.235 -0.334 295 H GLY 38 HN GLY 38 12.868 -1.433 1.110 296 HA2 GLY 38 HA3 GLY 38 11.745 1.259 0.980 297 HA3 GLY 38 HA2 GLY 38 11.726 0.083 -0.331 298 H SER 39 HN SER 39 9.403 0.668 -0.290 299 HA SER 39 HA SER 39 8.014 -1.086 1.566 300 HB2 SER 39 HB3 SER 39 6.456 0.821 2.113 301 HB3 SER 39 HB2 SER 39 8.098 0.931 2.757 302 HG SER 39 HG SER 39 8.456 2.636 1.600 303 H CYS 40 HN CYS 40 6.746 -2.309 0.438 304 HA CYS 40 HA CYS 40 5.689 -1.579 -2.122 305 HB2 CYS 40 HB3 CYS 40 6.168 -3.935 -1.583 306 HB3 CYS 40 HB2 CYS 40 5.033 -3.876 -0.241 307 H CYS 41 HN CYS 41 4.275 0.081 -2.110 308 HA CYS 41 HA CYS 41 1.998 -0.088 -0.268 309 HB2 CYS 41 HB3 CYS 41 3.440 2.510 -0.787 310 HB3 CYS 41 HB2 CYS 41 2.173 2.199 0.390 311 H ALA 42 HN ALA 42 0.280 -0.133 -1.561 312 HA ALA 42 HA ALA 42 0.578 0.693 -4.298 313 HB1 ALA 42 HB1 ALA 42 -0.497 -1.419 -3.925 314 HB2 ALA 42 HB2 ALA 42 -1.693 -0.298 -4.584 315 HB3 ALA 42 HB3 ALA 42 -1.690 -0.667 -2.859 316 H ARG 43 HN ARG 43 -0.565 2.230 -5.382 317 HA ARG 43 HA ARG 43 -1.042 4.586 -3.942 318 HB2 ARG 43 HB3 ARG 43 -0.332 4.645 -6.267 319 HB3 ARG 43 HB2 ARG 43 -1.835 3.879 -6.767 320 HG2 ARG 43 HG3 ARG 43 -3.111 5.782 -6.168 321 HG3 ARG 43 HG2 ARG 43 -1.742 6.523 -5.345 322 HD2 ARG 43 HD3 ARG 43 -1.710 5.894 -8.279 323 HD3 ARG 43 HD2 ARG 43 -2.331 7.416 -7.646 324 HE ARG 43 HE ARG 43 0.097 7.309 -6.519 325 HH11 ARG 43 HH11 ARG 43 -0.919 6.776 -9.833 326 HH12 ARG 43 HH12 ARG 43 0.546 7.412 -10.510 327 HH21 ARG 43 HH21 ARG 43 2.009 8.145 -7.414 328 HH22 ARG 43 HH22 ARG 43 2.216 8.177 -9.139 329 H GLY 44 HN GLY 44 -2.609 4.982 -2.669 330 HA2 GLY 44 HA3 GLY 44 -5.125 5.521 -2.940 331 HA3 GLY 44 HA2 GLY 44 -5.245 3.777 -3.119 332 H TRP 45 HN TRP 45 -6.553 3.631 -1.234 333 HA TRP 45 HA TRP 45 -4.899 3.612 1.149 334 HB2 TRP 45 HB3 TRP 45 -6.149 5.840 0.989 335 HB3 TRP 45 HB2 TRP 45 -7.607 4.901 1.324 336 HD1 TRP 45 HD1 TRP 45 -8.141 4.603 3.827 337 HE1 TRP 45 HE1 TRP 45 -6.793 4.736 6.016 338 HE3 TRP 45 HE3 TRP 45 -3.528 5.462 1.843 339 HZ2 TRP 45 HZ2 TRP 45 -4.103 5.160 6.789 340 HZ3 TRP 45 HZ3 TRP 45 -1.610 5.721 3.374 341 HH2 TRP 45 HH2 TRP 45 -1.895 5.574 5.795 342 H ARG 46 HN ARG 46 -5.178 1.881 2.297 343 HA ARG 46 HA ARG 46 -7.774 0.519 2.225 344 HB2 ARG 46 HB3 ARG 46 -6.431 -0.932 1.064 345 HB3 ARG 46 HB2 ARG 46 -5.006 -0.606 2.032 346 HG2 ARG 46 HG3 ARG 46 -5.566 -2.716 2.725 347 HG3 ARG 46 HG2 ARG 46 -6.420 -1.732 3.913 348 HD2 ARG 46 HD3 ARG 46 -7.827 -3.530 3.086 349 HD3 ARG 46 HD2 ARG 46 -8.474 -1.950 2.644 350 HE ARG 46 HE ARG 46 -7.413 -2.371 0.401 351 HH11 ARG 46 HH11 ARG 46 -8.353 -5.051 2.460 352 HH12 ARG 46 HH12 ARG 46 -8.640 -6.125 1.126 353 HH21 ARG 46 HH21 ARG 46 -7.827 -3.781 -1.339 354 HH22 ARG 46 HH22 ARG 46 -8.355 -5.403 -1.022 355 H SER 47 HN SER 47 -8.700 0.562 4.027 356 HA SER 47 HA SER 47 -9.246 0.873 6.192 357 HB2 SER 47 HB3 SER 47 -6.694 -0.671 6.660 358 HB3 SER 47 HB2 SER 47 -7.981 -0.431 7.841 359 HG SER 47 HG SER 47 -8.209 -2.436 6.799 Start of MODEL 2 1 H PCA 1 HT2 PCA 1 -12.979 4.920 -2.125 2 HA PCA 1 HA PCA 1 -12.310 2.913 -1.968 3 HB2 PCA 1 HB2 PCA 1 -13.243 1.871 -0.192 4 HB3 PCA 1 HB3 PCA 1 -14.644 1.429 -1.176 5 HG2 PCA 1 HG2 PCA 1 -14.419 3.564 0.782 6 HG3 PCA 1 HG3 PCA 1 -15.861 3.045 -0.135 7 HT1 PCA 1 HT1 PCA 1 -14.268 4.469 -3.055 8 HA PRO 2 HA PRO 2 -13.927 1.412 -5.942 9 HB2 PRO 2 HB3 PRO 2 -11.246 0.402 -6.392 10 HB3 PRO 2 HB2 PRO 2 -12.093 1.688 -7.260 11 HG2 PRO 2 HG3 PRO 2 -9.930 2.134 -5.659 12 HG3 PRO 2 HG2 PRO 2 -11.198 3.339 -5.944 13 HD2 PRO 2 HD3 PRO 2 -10.823 1.494 -3.606 14 HD3 PRO 2 HD2 PRO 2 -11.279 3.216 -3.622 15 H PHE 3 HN PHE 3 -11.884 -0.089 -3.560 16 HA PHE 3 HA PHE 3 -13.288 -2.628 -3.977 17 HB2 PHE 3 HB3 PHE 3 -11.370 -3.841 -3.417 18 HB3 PHE 3 HB2 PHE 3 -10.677 -2.491 -4.309 19 HD1 PHE 3 HD1 PHE 3 -10.535 -4.360 -1.327 20 HD2 PHE 3 HD2 PHE 3 -9.976 -0.430 -2.874 21 HE1 PHE 3 HE1 PHE 3 -9.086 -3.813 0.586 22 HE2 PHE 3 HE2 PHE 3 -8.528 0.115 -0.966 23 HZ PHE 3 HZ PHE 3 -8.215 -1.564 0.850 24 H ILE 4 HN ILE 4 -13.548 -3.849 -1.864 25 HA ILE 4 HA ILE 4 -14.482 -2.005 0.148 26 HB ILE 4 HB ILE 4 -15.888 -3.908 -0.389 27 HG12 ILE 4 HG12 ILE 4 -16.147 -4.887 1.930 28 HG13 ILE 4 HG11 ILE 4 -14.718 -3.967 2.389 29 HG21 ILE 4 HG21 ILE 4 -13.609 -5.628 0.564 30 HG22 ILE 4 HG22 ILE 4 -14.253 -5.530 -1.075 31 HG23 ILE 4 HG23 ILE 4 -15.238 -6.208 0.220 32 HD11 ILE 4 HD11 ILE 4 -17.297 -2.816 1.351 33 HD12 ILE 4 HD12 ILE 4 -15.871 -1.897 1.822 34 HD13 ILE 4 HD13 ILE 4 -16.760 -2.820 3.029 35 HA PRO 5 HA PRO 5 -10.478 -1.859 2.180 36 HB2 PRO 5 HB3 PRO 5 -11.633 -0.863 4.551 37 HB3 PRO 5 HB2 PRO 5 -10.906 0.080 3.249 38 HG2 PRO 5 HG3 PRO 5 -13.768 -0.545 3.768 39 HG3 PRO 5 HG2 PRO 5 -13.041 0.918 3.080 40 HD2 PRO 5 HD3 PRO 5 -14.308 -0.831 1.530 41 HD3 PRO 5 HD2 PRO 5 -12.827 -0.034 0.968 42 H ARG 6 HN ARG 6 -9.747 -3.796 2.706 43 HA ARG 6 HA ARG 6 -11.001 -5.290 4.909 44 HB2 ARG 6 HB3 ARG 6 -8.875 -6.250 2.981 45 HB3 ARG 6 HB2 ARG 6 -9.825 -7.233 4.081 46 HG2 ARG 6 HG3 ARG 6 -11.836 -6.722 2.804 47 HG3 ARG 6 HG2 ARG 6 -10.874 -5.745 1.692 48 HD2 ARG 6 HD3 ARG 6 -10.877 -8.715 2.087 49 HD3 ARG 6 HD2 ARG 6 -11.055 -7.789 0.599 50 HE ARG 6 HE ARG 6 -8.505 -8.022 2.070 51 HH11 ARG 6 HH11 ARG 6 -10.321 -7.916 -0.922 52 HH12 ARG 6 HH12 ARG 6 -8.915 -8.089 -1.925 53 HH21 ARG 6 HH21 ARG 6 -6.645 -8.257 0.750 54 HH22 ARG 6 HH22 ARG 6 -6.837 -8.280 -0.984 55 HA PRO 7 HA PRO 7 -7.476 -4.702 7.677 56 HB2 PRO 7 HB3 PRO 7 -6.524 -7.370 7.734 57 HB3 PRO 7 HB2 PRO 7 -7.588 -6.601 8.913 58 HG2 PRO 7 HG3 PRO 7 -8.256 -8.399 6.652 59 HG3 PRO 7 HG2 PRO 7 -9.088 -8.177 8.201 60 HD2 PRO 7 HD3 PRO 7 -10.087 -7.205 5.907 61 HD3 PRO 7 HD2 PRO 7 -10.274 -6.338 7.439 62 H ILE 8 HN ILE 8 -5.334 -4.242 7.386 63 HA ILE 8 HA ILE 8 -4.504 -3.999 4.727 64 HB ILE 8 HB ILE 8 -3.066 -3.593 7.334 65 HG12 ILE 8 HG12 ILE 8 -3.054 -1.208 6.475 66 HG13 ILE 8 HG11 ILE 8 -4.103 -1.749 5.175 67 HG21 ILE 8 HG21 ILE 8 -1.375 -4.329 5.749 68 HG22 ILE 8 HG22 ILE 8 -1.190 -2.610 6.092 69 HG23 ILE 8 HG23 ILE 8 -1.927 -3.132 4.578 70 HD11 ILE 8 HD11 ILE 8 -4.729 -1.847 8.114 71 HD12 ILE 8 HD12 ILE 8 -5.788 -2.397 6.817 72 HD13 ILE 8 HD13 ILE 8 -5.365 -0.690 6.947 73 H ASP 9 HN ASP 9 -3.721 -5.430 3.409 74 HA ASP 9 HA ASP 9 -2.499 -7.884 4.388 75 HB2 ASP 9 HB3 ASP 9 -3.244 -7.012 1.583 76 HB3 ASP 9 HB2 ASP 9 -2.539 -8.581 1.984 77 H THR 10 HN THR 10 -0.513 -8.629 3.281 78 HA THR 10 HA THR 10 1.388 -6.455 3.071 79 HB THR 10 HB THR 10 3.033 -8.427 2.842 80 HG1 THR 10 HG2 THR 10 1.310 -10.036 4.243 81 HG21 THR 10 HG21 THR 10 3.051 -8.693 5.279 82 HG22 THR 10 HG22 THR 10 1.425 -8.012 5.362 83 HG23 THR 10 HG23 THR 10 2.771 -7.011 4.822 84 H CYS 11 HN CYS 11 3.263 -7.338 1.325 85 HA CYS 11 HA CYS 11 2.189 -6.306 -1.067 86 HB2 CYS 11 HB3 CYS 11 4.537 -6.045 -0.240 87 HB3 CYS 11 HB2 CYS 11 4.831 -7.708 -0.729 88 H ARG 12 HN ARG 12 1.654 -9.280 0.073 89 HA ARG 12 HA ARG 12 1.538 -10.872 -2.208 90 HB2 ARG 12 HB3 ARG 12 -0.241 -12.037 -1.176 91 HB3 ARG 12 HB2 ARG 12 0.859 -11.545 0.091 92 HG2 ARG 12 HG3 ARG 12 -0.614 -9.870 0.849 93 HG3 ARG 12 HG2 ARG 12 -1.654 -10.059 -0.575 94 HD2 ARG 12 HD3 ARG 12 -1.976 -12.425 0.087 95 HD3 ARG 12 HD2 ARG 12 -1.134 -12.077 1.590 96 HE ARG 12 HE ARG 12 -2.939 -10.542 2.152 97 HH11 ARG 12 HH11 ARG 12 -3.558 -12.811 -0.449 98 HH12 ARG 12 HH12 ARG 12 -5.272 -12.817 -0.200 99 HH21 ARG 12 HH21 ARG 12 -5.188 -10.547 2.484 100 HH22 ARG 12 HH22 ARG 12 -6.205 -11.526 1.462 101 H LEU 13 HN LEU 13 -0.209 -8.012 -1.278 102 HA LEU 13 HA LEU 13 -1.997 -8.023 -3.517 103 HB2 LEU 13 HB3 LEU 13 -1.299 -6.173 -1.340 104 HB3 LEU 13 HB2 LEU 13 -1.709 -5.387 -2.851 105 HG LEU 13 HG LEU 13 -3.881 -6.478 -2.868 106 HD11 LEU 13 HD11 LEU 13 -2.979 -7.744 -0.287 107 HD12 LEU 13 HD12 LEU 13 -3.324 -8.573 -1.804 108 HD13 LEU 13 HD13 LEU 13 -4.626 -7.783 -0.916 109 HD21 LEU 13 HD21 LEU 13 -3.646 -4.339 -1.733 110 HD22 LEU 13 HD22 LEU 13 -3.245 -5.171 -0.230 111 HD23 LEU 13 HD23 LEU 13 -4.852 -5.349 -0.936 112 H ARG 14 HN ARG 14 -1.839 -6.510 -5.301 113 HA ARG 14 HA ARG 14 0.673 -7.069 -6.546 114 HB2 ARG 14 HB3 ARG 14 -0.691 -5.818 -8.470 115 HB3 ARG 14 HB2 ARG 14 -1.006 -7.473 -8.012 116 HG2 ARG 14 HG3 ARG 14 -3.066 -6.155 -8.310 117 HG3 ARG 14 HG2 ARG 14 -2.907 -6.817 -6.684 118 HD2 ARG 14 HD3 ARG 14 -2.122 -4.674 -5.859 119 HD3 ARG 14 HD2 ARG 14 -2.182 -4.015 -7.494 120 HE ARG 14 HE ARG 14 -4.737 -4.983 -6.728 121 HH11 ARG 14 HH11 ARG 14 -2.498 -2.348 -6.197 122 HH12 ARG 14 HH12 ARG 14 -3.732 -1.196 -5.804 123 HH21 ARG 14 HH21 ARG 14 -6.383 -3.451 -6.219 124 HH22 ARG 14 HH22 ARG 14 -5.938 -1.824 -5.815 125 H ASN 15 HN ASN 15 2.223 -5.612 -5.603 126 HA ASN 15 HA ASN 15 3.573 -3.745 -5.841 127 HB2 ASN 15 HB3 ASN 15 3.856 -5.276 -7.812 128 HB3 ASN 15 HB2 ASN 15 2.799 -4.186 -8.700 129 HD21 ASN 15 HD21 ASN 15 4.423 -3.699 -10.179 130 HD22 ASN 15 HD22 ASN 15 5.754 -2.674 -9.777 131 H GLY 16 HN GLY 16 1.710 -2.285 -4.862 132 HA2 GLY 16 HA3 GLY 16 0.208 -0.829 -6.837 133 HA3 GLY 16 HA2 GLY 16 0.189 -0.555 -5.107 134 H ILE 17 HN ILE 17 2.746 0.081 -4.523 135 HA ILE 17 HA ILE 17 4.169 1.532 -6.547 136 HB ILE 17 HB ILE 17 3.136 3.066 -4.138 137 HG12 ILE 17 HG12 ILE 17 1.707 3.065 -6.225 138 HG13 ILE 17 HG11 ILE 17 2.235 4.649 -5.673 139 HG21 ILE 17 HG21 ILE 17 5.522 3.432 -4.399 140 HG22 ILE 17 HG22 ILE 17 4.624 4.881 -4.848 141 HG23 ILE 17 HG23 ILE 17 5.293 3.836 -6.100 142 HD11 ILE 17 HD11 ILE 17 3.989 4.654 -7.362 143 HD12 ILE 17 HD12 ILE 17 2.387 4.472 -8.078 144 HD13 ILE 17 HD13 ILE 17 3.448 3.071 -7.926 145 H CYS 18 HN CYS 18 6.303 1.040 -6.138 146 HA CYS 18 HA CYS 18 7.001 0.233 -3.417 147 HB2 CYS 18 HB3 CYS 18 8.314 -0.129 -6.075 148 HB3 CYS 18 HB2 CYS 18 9.299 -0.187 -4.618 149 H PHE 19 HN PHE 19 7.518 1.809 -2.087 150 HA PHE 19 HA PHE 19 9.037 4.107 -3.094 151 HB2 PHE 19 HB3 PHE 19 7.359 3.648 -0.639 152 HB3 PHE 19 HB2 PHE 19 8.480 4.993 -0.728 153 HD1 PHE 19 HD1 PHE 19 5.186 4.033 -1.193 154 HD2 PHE 19 HD2 PHE 19 8.228 6.418 -2.968 155 HE1 PHE 19 HE1 PHE 19 3.465 5.355 -2.354 156 HE2 PHE 19 HE2 PHE 19 6.513 7.751 -4.122 157 HZ PHE 19 HZ PHE 19 4.123 7.256 -3.764 158 HA PRO 20 HA PRO 20 12.515 2.544 -0.737 159 HB2 PRO 20 HB3 PRO 20 14.199 4.603 -1.253 160 HB3 PRO 20 HB2 PRO 20 13.907 3.296 -2.409 161 HG2 PRO 20 HG3 PRO 20 12.814 6.073 -2.370 162 HG3 PRO 20 HG2 PRO 20 13.307 5.077 -3.751 163 HD2 PRO 20 HD3 PRO 20 10.697 5.456 -2.946 164 HD3 PRO 20 HD2 PRO 20 11.265 4.068 -3.894 165 H GLY 21 HN GLY 21 11.749 2.719 1.298 166 HA2 GLY 21 HA3 GLY 21 12.058 4.170 3.331 167 HA3 GLY 21 HA2 GLY 21 11.263 5.416 2.379 168 H ILE 22 HN ILE 22 9.191 5.680 2.912 169 HA ILE 22 HA ILE 22 7.500 3.345 3.346 170 HB ILE 22 HB ILE 22 6.482 4.437 5.390 171 HG12 ILE 22 HG12 ILE 22 9.107 5.940 5.396 172 HG13 ILE 22 HG11 ILE 22 7.523 6.648 5.102 173 HG21 ILE 22 HG21 ILE 22 9.285 3.357 5.574 174 HG22 ILE 22 HG22 ILE 22 7.786 2.427 5.582 175 HG23 ILE 22 HG23 ILE 22 8.165 3.501 6.929 176 HD11 ILE 22 HD11 ILE 22 8.273 7.077 7.365 177 HD12 ILE 22 HD12 ILE 22 8.426 5.345 7.657 178 HD13 ILE 22 HD13 ILE 22 6.838 6.052 7.363 179 H CYS 23 HN CYS 23 5.373 3.676 2.916 180 HA CYS 23 HA CYS 23 4.533 5.932 1.410 181 HB2 CYS 23 HB3 CYS 23 2.329 4.434 2.528 182 HB3 CYS 23 HB2 CYS 23 2.856 4.532 0.857 183 H ARG 24 HN ARG 24 3.752 7.832 2.153 184 HA ARG 24 HA ARG 24 2.687 7.846 4.898 185 HB2 ARG 24 HB3 ARG 24 3.265 10.271 4.950 186 HB3 ARG 24 HB2 ARG 24 4.663 9.216 4.794 187 HG2 ARG 24 HG3 ARG 24 4.812 9.699 2.436 188 HG3 ARG 24 HG2 ARG 24 3.338 10.664 2.511 189 HD2 ARG 24 HD3 ARG 24 4.440 12.241 4.010 190 HD3 ARG 24 HD2 ARG 24 5.910 11.267 3.969 191 HE ARG 24 HE ARG 24 5.564 11.762 1.380 192 HH11 ARG 24 HH11 ARG 24 5.382 13.913 4.133 193 HH12 ARG 24 HH12 ARG 24 5.879 15.311 3.235 194 HH21 ARG 24 HH21 ARG 24 6.223 13.597 0.192 195 HH22 ARG 24 HH22 ARG 24 6.357 15.133 0.991 196 H ARG 25 HN ARG 25 2.212 9.099 1.604 197 HA ARG 25 HA ARG 25 -0.545 8.814 1.581 198 HB2 ARG 25 HB3 ARG 25 0.358 11.458 2.615 199 HB3 ARG 25 HB2 ARG 25 -0.932 11.472 1.427 200 HG2 ARG 25 HG3 ARG 25 -0.993 9.994 4.050 201 HG3 ARG 25 HG2 ARG 25 -1.771 11.541 3.723 202 HD2 ARG 25 HD3 ARG 25 -3.154 10.477 2.007 203 HD3 ARG 25 HD2 ARG 25 -2.376 8.932 2.343 204 HE ARG 25 HE ARG 25 -3.347 9.731 4.758 205 HH11 ARG 25 HH11 ARG 25 -4.784 9.331 1.599 206 HH12 ARG 25 HH12 ARG 25 -6.310 8.787 2.213 207 HH21 ARG 25 HH21 ARG 25 -5.364 9.027 5.582 208 HH22 ARG 25 HH22 ARG 25 -6.641 8.613 4.485 209 HA PRO 26 HA PRO 26 -2.002 8.821 0.463 210 HB2 PRO 26 HB3 PRO 26 -3.155 8.580 -2.131 211 HB3 PRO 26 HB2 PRO 26 -3.630 9.710 -0.861 212 HG2 PRO 26 HG3 PRO 26 -2.527 10.446 -3.279 213 HG3 PRO 26 HG2 PRO 26 -2.446 11.430 -1.801 214 HD2 PRO 26 HD3 PRO 26 -0.388 9.566 -2.950 215 HD3 PRO 26 HD2 PRO 26 -0.172 11.192 -2.256 216 H TYR 27 HN TYR 27 -1.034 6.829 0.867 217 HA TYR 27 HA TYR 27 -1.267 4.756 -1.105 218 HB2 TYR 27 HB3 TYR 27 1.504 5.419 -0.076 219 HB3 TYR 27 HB2 TYR 27 1.085 4.101 -1.153 220 HD1 TYR 27 HD1 TYR 27 0.575 4.538 -3.503 221 HD2 TYR 27 HD2 TYR 27 1.771 7.672 -0.894 222 HE1 TYR 27 HE1 TYR 27 1.095 5.941 -5.445 223 HE2 TYR 27 HE2 TYR 27 2.303 9.085 -2.842 224 HH TYR 27 HH TYR 27 2.930 8.681 -5.308 225 H TYR 28 HN TYR 28 -1.444 2.796 -0.078 226 HA TYR 28 HA TYR 28 -0.990 2.882 2.817 227 HB2 TYR 28 HB3 TYR 28 -2.577 0.960 2.968 228 HB3 TYR 28 HB2 TYR 28 -3.305 2.457 2.399 229 HD1 TYR 28 HD1 TYR 28 -2.649 -1.026 1.683 230 HD2 TYR 28 HD2 TYR 28 -3.805 2.688 -0.068 231 HE1 TYR 28 HE1 TYR 28 -3.587 -2.219 -0.256 232 HE2 TYR 28 HE2 TYR 28 -4.737 1.496 -2.001 233 HH TYR 28 HH TYR 28 -4.567 -0.595 -3.132 234 H TRP 29 HN TRP 29 0.373 1.604 3.739 235 HA TRP 29 HA TRP 29 2.337 0.224 2.264 236 HB2 TRP 29 HB3 TRP 29 2.698 1.317 4.468 237 HB3 TRP 29 HB2 TRP 29 1.693 0.096 5.222 238 HD1 TRP 29 HD1 TRP 29 5.183 0.634 3.797 239 HE1 TRP 29 HE1 TRP 29 6.680 -1.326 4.506 240 HE3 TRP 29 HE3 TRP 29 1.627 -2.384 5.843 241 HZ2 TRP 29 HZ2 TRP 29 6.399 -3.830 5.772 242 HZ3 TRP 29 HZ3 TRP 29 2.315 -4.554 6.790 243 HH2 TRP 29 HH2 TRP 29 4.655 -5.261 6.753 244 H ILE 30 HN ILE 30 1.892 -1.643 1.200 245 HA ILE 30 HA ILE 30 0.739 -3.782 2.851 246 HB ILE 30 HB ILE 30 -0.005 -4.919 0.778 247 HG12 ILE 30 HG12 ILE 30 1.247 -2.547 -0.537 248 HG13 ILE 30 HG11 ILE 30 1.119 -4.208 -1.110 249 HG21 ILE 30 HG21 ILE 30 -1.486 -3.485 2.123 250 HG22 ILE 30 HG22 ILE 30 -1.950 -3.560 0.424 251 HG23 ILE 30 HG23 ILE 30 -1.113 -2.136 1.044 252 HD11 ILE 30 HD11 ILE 30 -1.238 -3.824 -1.642 253 HD12 ILE 30 HD12 ILE 30 -0.148 -2.762 -2.529 254 HD13 ILE 30 HD13 ILE 30 -1.057 -2.140 -1.151 255 H GLY 31 HN GLY 31 2.609 -4.513 3.690 256 HA2 GLY 31 HA3 GLY 31 4.502 -5.811 3.777 257 HA3 GLY 31 HA2 GLY 31 4.259 -6.179 2.080 258 H THR 32 HN THR 32 6.757 -6.024 2.606 259 HA THR 32 HA THR 32 7.712 -3.267 2.369 260 HB THR 32 HB THR 32 9.858 -5.153 2.428 261 HG1 THR 32 HG2 THR 32 9.367 -6.216 4.386 262 HG21 THR 32 HG21 THR 32 8.816 -3.242 4.529 263 HG22 THR 32 HG22 THR 32 9.999 -2.863 3.272 264 HG23 THR 32 HG23 THR 32 10.402 -4.014 4.545 265 H CYS 33 HN CYS 33 9.468 -2.826 0.849 266 HA CYS 33 HA CYS 33 9.602 -4.607 -1.475 267 HB2 CYS 33 HB3 CYS 33 7.999 -2.672 -1.897 268 HB3 CYS 33 HB2 CYS 33 9.386 -1.601 -1.753 269 H ASN 34 HN ASN 34 11.472 -3.306 -2.986 270 HA ASN 34 HA ASN 34 13.741 -3.194 -3.165 271 HB2 ASN 34 HB3 ASN 34 13.392 -1.788 -0.507 272 HB3 ASN 34 HB2 ASN 34 14.943 -1.924 -1.322 273 HD21 ASN 34 HD21 ASN 34 13.288 0.414 -0.614 274 HD22 ASN 34 HD22 ASN 34 13.082 1.274 -2.101 275 H ASN 35 HN ASN 35 15.783 -3.460 -1.242 276 HA ASN 35 HA ASN 35 15.545 -6.251 -0.530 277 HB2 ASN 35 HB3 ASN 35 17.779 -4.254 -0.104 278 HB3 ASN 35 HB2 ASN 35 17.879 -5.956 0.331 279 HD21 ASN 35 HD21 ASN 35 19.461 -4.385 -1.559 280 HD22 ASN 35 HD22 ASN 35 19.308 -5.182 -3.086 281 H GLY 36 HN GLY 36 13.628 -4.770 0.777 282 HA2 GLY 36 HA3 GLY 36 12.751 -4.928 2.941 283 HA3 GLY 36 HA2 GLY 36 14.370 -5.236 3.552 284 H ILE 37 HN ILE 37 14.280 -2.585 1.450 285 HA ILE 37 HA ILE 37 14.158 -0.749 3.738 286 HB ILE 37 HB ILE 37 15.663 0.715 2.280 287 HG12 ILE 37 HG12 ILE 37 16.337 -1.962 1.066 288 HG13 ILE 37 HG11 ILE 37 15.403 -0.706 0.255 289 HG21 ILE 37 HG21 ILE 37 17.676 -0.354 3.193 290 HG22 ILE 37 HG22 ILE 37 16.737 -1.805 3.539 291 HG23 ILE 37 HG23 ILE 37 16.369 -0.297 4.376 292 HD11 ILE 37 HD11 ILE 37 17.307 0.801 0.409 293 HD12 ILE 37 HD12 ILE 37 17.711 -0.678 -0.464 294 HD13 ILE 37 HD13 ILE 37 18.242 -0.463 1.204 295 H GLY 38 HN GLY 38 12.248 -1.621 1.485 296 HA2 GLY 38 HA3 GLY 38 11.371 1.093 0.880 297 HA3 GLY 38 HA2 GLY 38 11.413 -0.134 -0.384 298 H SER 39 HN SER 39 9.067 0.996 0.092 299 HA SER 39 HA SER 39 7.676 -1.008 1.712 300 HB2 SER 39 HB3 SER 39 6.004 0.793 2.139 301 HB3 SER 39 HB2 SER 39 7.616 1.126 2.784 302 HG SER 39 HG SER 39 6.321 2.258 0.555 303 H CYS 40 HN CYS 40 6.312 -2.238 0.670 304 HA CYS 40 HA CYS 40 5.615 -1.667 -2.080 305 HB2 CYS 40 HB3 CYS 40 6.176 -3.987 -1.258 306 HB3 CYS 40 HB2 CYS 40 4.707 -3.946 -0.295 307 H CYS 41 HN CYS 41 4.312 0.152 -1.937 308 HA CYS 41 HA CYS 41 1.968 -0.011 -0.181 309 HB2 CYS 41 HB3 CYS 41 2.731 2.397 -1.802 310 HB3 CYS 41 HB2 CYS 41 1.898 2.323 -0.251 311 H ALA 42 HN ALA 42 -0.011 1.185 -1.334 312 HA ALA 42 HA ALA 42 0.152 0.934 -4.235 313 HB1 ALA 42 HB1 ALA 42 -2.090 -0.035 -4.388 314 HB2 ALA 42 HB2 ALA 42 -2.168 -0.124 -2.628 315 HB3 ALA 42 HB3 ALA 42 -0.988 -1.095 -3.513 316 H ARG 43 HN ARG 43 -0.819 2.478 -5.383 317 HA ARG 43 HA ARG 43 -1.289 4.931 -4.102 318 HB2 ARG 43 HB3 ARG 43 -0.624 4.718 -6.477 319 HB3 ARG 43 HB2 ARG 43 -2.236 4.117 -6.850 320 HG2 ARG 43 HG3 ARG 43 -3.217 6.213 -6.138 321 HG3 ARG 43 HG2 ARG 43 -1.628 6.820 -5.671 322 HD2 ARG 43 HD3 ARG 43 -2.268 7.730 -7.808 323 HD3 ARG 43 HD2 ARG 43 -0.896 6.642 -8.008 324 HE ARG 43 HE ARG 43 -2.957 5.013 -8.519 325 HH11 ARG 43 HH11 ARG 43 -2.206 8.220 -9.704 326 HH12 ARG 43 HH12 ARG 43 -2.986 7.975 -11.231 327 HH21 ARG 43 HH21 ARG 43 -3.979 4.687 -10.525 328 HH22 ARG 43 HH22 ARG 43 -4.006 5.965 -11.695 329 H GLY 44 HN GLY 44 -2.833 5.366 -2.787 330 HA2 GLY 44 HA3 GLY 44 -5.360 5.862 -2.972 331 HA3 GLY 44 HA2 GLY 44 -5.465 4.117 -3.134 332 H TRP 45 HN TRP 45 -6.747 4.067 -1.202 333 HA TRP 45 HA TRP 45 -5.010 3.924 1.120 334 HB2 TRP 45 HB3 TRP 45 -6.220 6.205 1.028 335 HB3 TRP 45 HB2 TRP 45 -7.667 5.285 1.449 336 HD1 TRP 45 HD1 TRP 45 -8.030 4.889 3.979 337 HE1 TRP 45 HE1 TRP 45 -6.543 5.037 6.080 338 HE3 TRP 45 HE3 TRP 45 -3.574 5.900 1.719 339 HZ2 TRP 45 HZ2 TRP 45 -3.827 5.516 6.680 340 HZ3 TRP 45 HZ3 TRP 45 -1.573 6.197 3.128 341 HH2 TRP 45 HH2 TRP 45 -1.701 6.011 5.559 342 H ARG 46 HN ARG 46 -5.613 2.458 2.638 343 HA ARG 46 HA ARG 46 -8.127 1.019 2.200 344 HB2 ARG 46 HB3 ARG 46 -6.636 -0.513 1.337 345 HB3 ARG 46 HB2 ARG 46 -5.363 -0.104 2.477 346 HG2 ARG 46 HG3 ARG 46 -6.745 -1.160 4.264 347 HG3 ARG 46 HG2 ARG 46 -7.870 -1.685 3.013 348 HD2 ARG 46 HD3 ARG 46 -4.941 -2.380 3.030 349 HD3 ARG 46 HD2 ARG 46 -6.192 -3.400 3.737 350 HE ARG 46 HE ARG 46 -6.307 -2.664 0.886 351 HH11 ARG 46 HH11 ARG 46 -6.088 -5.076 3.407 352 HH12 ARG 46 HH12 ARG 46 -6.289 -6.418 2.320 353 HH21 ARG 46 HH21 ARG 46 -6.679 -4.422 -0.533 354 HH22 ARG 46 HH22 ARG 46 -6.668 -6.041 0.091 355 H SER 47 HN SER 47 -9.305 0.850 3.892 356 HA SER 47 HA SER 47 -10.114 1.090 5.995 357 HB2 SER 47 HB3 SER 47 -7.459 -0.178 6.695 358 HB3 SER 47 HB2 SER 47 -8.878 -0.119 7.741 359 HG SER 47 HG SER 47 -8.636 -2.105 6.526 Start of MODEL 3 1 H PCA 1 HT2 PCA 1 -15.823 6.588 -3.483 2 HA PCA 1 HA PCA 1 -14.373 5.057 -3.241 3 HB2 PCA 1 HB2 PCA 1 -15.289 3.272 -2.208 4 HB3 PCA 1 HB3 PCA 1 -15.725 2.601 -3.785 5 HG2 PCA 1 HG2 PCA 1 -17.478 3.801 -1.852 6 HG3 PCA 1 HG3 PCA 1 -17.899 3.216 -3.485 7 HT1 PCA 1 HT1 PCA 1 -16.311 5.977 -4.936 8 HA PRO 2 HA PRO 2 -13.346 4.457 -7.603 9 HB2 PRO 2 HB3 PRO 2 -10.629 4.008 -6.648 10 HB3 PRO 2 HB2 PRO 2 -11.243 5.331 -7.644 11 HG2 PRO 2 HG3 PRO 2 -10.411 5.679 -5.087 12 HG3 PRO 2 HG2 PRO 2 -11.680 6.667 -5.831 13 HD2 PRO 2 HD3 PRO 2 -11.942 4.329 -3.968 14 HD3 PRO 2 HD2 PRO 2 -12.835 5.870 -3.980 15 H PHE 3 HN PHE 3 -11.818 2.634 -5.003 16 HA PHE 3 HA PHE 3 -12.746 0.164 -6.269 17 HB2 PHE 3 HB3 PHE 3 -10.778 -0.981 -5.714 18 HB3 PHE 3 HB2 PHE 3 -10.153 0.596 -6.182 19 HD1 PHE 3 HD1 PHE 3 -10.259 -1.880 -3.634 20 HD2 PHE 3 HD2 PHE 3 -9.741 2.292 -4.309 21 HE1 PHE 3 HE1 PHE 3 -9.128 -1.669 -1.462 22 HE2 PHE 3 HE2 PHE 3 -8.606 2.505 -2.138 23 HZ PHE 3 HZ PHE 3 -8.399 0.497 -0.668 24 H ILE 4 HN ILE 4 -13.076 -1.568 -4.516 25 HA ILE 4 HA ILE 4 -14.483 -0.271 -2.327 26 HB ILE 4 HB ILE 4 -14.428 -3.177 -3.155 27 HG12 ILE 4 HG12 ILE 4 -15.538 -1.746 -4.799 28 HG13 ILE 4 HG11 ILE 4 -16.716 -2.753 -3.965 29 HG21 ILE 4 HG21 ILE 4 -16.154 -1.800 -1.100 30 HG22 ILE 4 HG22 ILE 4 -14.866 -2.958 -0.771 31 HG23 ILE 4 HG23 ILE 4 -16.318 -3.474 -1.629 32 HD11 ILE 4 HD11 ILE 4 -17.560 -0.510 -4.269 33 HD12 ILE 4 HD12 ILE 4 -16.164 0.155 -3.426 34 HD13 ILE 4 HD13 ILE 4 -17.325 -0.845 -2.554 35 HA PRO 5 HA PRO 5 -10.975 -0.903 0.394 36 HB2 PRO 5 HB3 PRO 5 -12.435 -0.318 2.681 37 HB3 PRO 5 HB2 PRO 5 -11.588 0.868 1.684 38 HG2 PRO 5 HG3 PRO 5 -14.476 0.107 1.687 39 HG3 PRO 5 HG2 PRO 5 -13.737 1.710 1.510 40 HD2 PRO 5 HD3 PRO 5 -14.692 0.398 -0.608 41 HD3 PRO 5 HD2 PRO 5 -13.198 1.353 -0.719 42 H ARG 6 HN ARG 6 -10.523 -2.983 0.547 43 HA ARG 6 HA ARG 6 -12.401 -4.796 1.877 44 HB2 ARG 6 HB3 ARG 6 -10.152 -5.244 -0.086 45 HB3 ARG 6 HB2 ARG 6 -10.932 -6.566 0.771 46 HG2 ARG 6 HG3 ARG 6 -12.973 -6.218 -0.305 47 HG3 ARG 6 HG2 ARG 6 -12.522 -4.598 -0.831 48 HD2 ARG 6 HD3 ARG 6 -10.903 -5.528 -2.381 49 HD3 ARG 6 HD2 ARG 6 -11.272 -7.160 -1.816 50 HE ARG 6 HE ARG 6 -13.560 -6.775 -2.684 51 HH11 ARG 6 HH11 ARG 6 -10.897 -4.897 -3.984 52 HH12 ARG 6 HH12 ARG 6 -11.717 -4.544 -5.472 53 HH21 ARG 6 HH21 ARG 6 -14.629 -6.312 -4.628 54 HH22 ARG 6 HH22 ARG 6 -13.839 -5.355 -5.844 55 HA PRO 7 HA PRO 7 -9.872 -5.742 5.453 56 HB2 PRO 7 HB3 PRO 7 -8.832 -8.265 4.591 57 HB3 PRO 7 HB2 PRO 7 -10.138 -7.967 5.737 58 HG2 PRO 7 HG3 PRO 7 -10.268 -8.628 2.856 59 HG3 PRO 7 HG2 PRO 7 -11.449 -8.943 4.138 60 HD2 PRO 7 HD3 PRO 7 -11.887 -7.064 2.291 61 HD3 PRO 7 HD2 PRO 7 -12.369 -6.812 3.979 62 H ILE 8 HN ILE 8 -7.826 -5.342 6.068 63 HA ILE 8 HA ILE 8 -6.053 -4.222 4.222 64 HB ILE 8 HB ILE 8 -5.670 -5.055 7.095 65 HG12 ILE 8 HG12 ILE 8 -5.529 -2.530 7.381 66 HG13 ILE 8 HG11 ILE 8 -6.073 -2.396 5.714 67 HG21 ILE 8 HG21 ILE 8 -3.714 -3.551 5.358 68 HG22 ILE 8 HG22 ILE 8 -3.504 -5.186 5.984 69 HG23 ILE 8 HG23 ILE 8 -3.559 -3.817 7.096 70 HD11 ILE 8 HD11 ILE 8 -7.893 -2.091 7.302 71 HD12 ILE 8 HD12 ILE 8 -7.600 -3.704 7.953 72 HD13 ILE 8 HD13 ILE 8 -8.151 -3.509 6.289 73 H ASP 9 HN ASP 9 -4.931 -5.244 2.761 74 HA ASP 9 HA ASP 9 -4.194 -8.040 3.188 75 HB2 ASP 9 HB3 ASP 9 -5.498 -6.975 1.078 76 HB3 ASP 9 HB2 ASP 9 -3.835 -6.826 0.513 77 H THR 10 HN THR 10 -2.153 -8.664 1.953 78 HA THR 10 HA THR 10 -0.031 -6.994 3.059 79 HB THR 10 HB THR 10 1.397 -9.021 2.454 80 HG1 THR 10 HG2 THR 10 -1.077 -10.408 2.359 81 HG21 THR 10 HG21 THR 10 -0.877 -9.347 4.412 82 HG22 THR 10 HG22 THR 10 0.655 -8.535 4.728 83 HG23 THR 10 HG23 THR 10 0.625 -10.273 4.424 84 H CYS 11 HN CYS 11 2.125 -7.374 1.602 85 HA CYS 11 HA CYS 11 1.890 -5.790 -0.695 86 HB2 CYS 11 HB3 CYS 11 3.972 -6.126 0.608 87 HB3 CYS 11 HB2 CYS 11 4.070 -7.764 -0.019 88 H ARG 12 HN ARG 12 0.616 -8.746 -0.415 89 HA ARG 12 HA ARG 12 1.024 -10.072 -2.800 90 HB2 ARG 12 HB3 ARG 12 -0.563 -11.292 -1.794 91 HB3 ARG 12 HB2 ARG 12 -0.953 -9.961 -0.721 92 HG2 ARG 12 HG3 ARG 12 -2.968 -10.154 -1.654 93 HG3 ARG 12 HG2 ARG 12 -2.251 -9.163 -2.920 94 HD2 ARG 12 HD3 ARG 12 -2.166 -12.161 -3.029 95 HD3 ARG 12 HD2 ARG 12 -3.539 -11.249 -3.645 96 HE ARG 12 HE ARG 12 -1.183 -10.210 -4.765 97 HH11 ARG 12 HH11 ARG 12 -3.149 -13.107 -4.900 98 HH12 ARG 12 HH12 ARG 12 -2.739 -13.455 -6.549 99 HH21 ARG 12 HH21 ARG 12 -0.648 -10.671 -6.935 100 HH22 ARG 12 HH22 ARG 12 -1.306 -12.081 -7.698 101 H LEU 13 HN LEU 13 -0.909 -7.163 -2.129 102 HA LEU 13 HA LEU 13 -1.605 -6.796 -4.900 103 HB2 LEU 13 HB3 LEU 13 -1.851 -5.088 -2.449 104 HB3 LEU 13 HB2 LEU 13 -2.065 -4.378 -4.037 105 HG LEU 13 HG LEU 13 -3.837 -6.171 -4.428 106 HD11 LEU 13 HD11 LEU 13 -3.644 -6.368 -1.433 107 HD12 LEU 13 HD12 LEU 13 -3.227 -7.631 -2.587 108 HD13 LEU 13 HD13 LEU 13 -4.897 -7.088 -2.444 109 HD21 LEU 13 HD21 LEU 13 -5.542 -4.857 -3.273 110 HD22 LEU 13 HD22 LEU 13 -4.359 -3.831 -4.085 111 HD23 LEU 13 HD23 LEU 13 -4.282 -4.054 -2.337 112 H ARG 14 HN ARG 14 -0.388 -5.805 -6.438 113 HA ARG 14 HA ARG 14 2.066 -4.518 -5.515 114 HB2 ARG 14 HB3 ARG 14 1.874 -6.855 -7.344 115 HB3 ARG 14 HB2 ARG 14 3.286 -5.819 -7.325 116 HG2 ARG 14 HG3 ARG 14 2.166 -7.125 -4.879 117 HG3 ARG 14 HG2 ARG 14 3.397 -7.888 -5.902 118 HD2 ARG 14 HD3 ARG 14 3.644 -5.163 -4.684 119 HD3 ARG 14 HD2 ARG 14 4.285 -6.624 -3.937 120 HE ARG 14 HE ARG 14 5.204 -6.323 -6.619 121 HH11 ARG 14 HH11 ARG 14 5.733 -5.178 -3.359 122 HH12 ARG 14 HH12 ARG 14 7.405 -4.801 -3.633 123 HH21 ARG 14 HH21 ARG 14 7.387 -5.835 -6.984 124 HH22 ARG 14 HH22 ARG 14 8.355 -5.180 -5.701 125 H ASN 15 HN ASN 15 3.372 -3.694 -7.397 126 HA ASN 15 HA ASN 15 3.624 -2.144 -8.984 127 HB2 ASN 15 HB3 ASN 15 1.139 -3.468 -10.012 128 HB3 ASN 15 HB2 ASN 15 1.886 -2.115 -10.841 129 HD21 ASN 15 HD21 ASN 15 2.319 -3.387 -12.651 130 HD22 ASN 15 HD22 ASN 15 3.588 -4.558 -12.657 131 H GLY 16 HN GLY 16 1.902 -1.704 -6.490 132 HA2 GLY 16 HA3 GLY 16 0.113 0.385 -7.425 133 HA3 GLY 16 HA2 GLY 16 0.374 -0.107 -5.757 134 H ILE 17 HN ILE 17 2.810 0.349 -5.057 135 HA ILE 17 HA ILE 17 4.447 1.944 -6.750 136 HB ILE 17 HB ILE 17 3.535 3.233 -4.152 137 HG12 ILE 17 HG12 ILE 17 2.204 3.838 -6.155 138 HG13 ILE 17 HG11 ILE 17 3.085 5.206 -5.489 139 HG21 ILE 17 HG21 ILE 17 5.303 4.896 -4.513 140 HG22 ILE 17 HG22 ILE 17 5.898 3.954 -5.881 141 HG23 ILE 17 HG23 ILE 17 5.957 3.279 -4.253 142 HD11 ILE 17 HD11 ILE 17 4.752 5.003 -7.240 143 HD12 ILE 17 HD12 ILE 17 3.132 5.180 -7.919 144 HD13 ILE 17 HD13 ILE 17 3.909 3.598 -7.893 145 H CYS 18 HN CYS 18 6.634 1.457 -6.210 146 HA CYS 18 HA CYS 18 7.013 0.221 -3.566 147 HB2 CYS 18 HB3 CYS 18 8.424 -0.172 -6.160 148 HB3 CYS 18 HB2 CYS 18 9.358 -0.341 -4.678 149 H PHE 19 HN PHE 19 7.346 1.852 -2.214 150 HA PHE 19 HA PHE 19 9.014 4.110 -2.960 151 HB2 PHE 19 HB3 PHE 19 7.321 3.452 -0.557 152 HB3 PHE 19 HB2 PHE 19 8.443 4.800 -0.532 153 HD1 PHE 19 HD1 PHE 19 5.149 3.844 -1.133 154 HD2 PHE 19 HD2 PHE 19 8.176 6.460 -2.584 155 HE1 PHE 19 HE1 PHE 19 3.421 5.282 -2.127 156 HE2 PHE 19 HE2 PHE 19 6.452 7.902 -3.585 157 HZ PHE 19 HZ PHE 19 4.072 7.321 -3.349 158 HA PRO 20 HA PRO 20 12.331 2.547 -0.386 159 HB2 PRO 20 HB3 PRO 20 14.218 4.300 -1.114 160 HB3 PRO 20 HB2 PRO 20 13.740 2.966 -2.172 161 HG2 PRO 20 HG3 PRO 20 13.073 5.862 -2.358 162 HG3 PRO 20 HG2 PRO 20 13.301 4.674 -3.650 163 HD2 PRO 20 HD3 PRO 20 10.839 5.565 -2.585 164 HD3 PRO 20 HD2 PRO 20 11.086 4.199 -3.690 165 H GLY 21 HN GLY 21 11.512 3.046 1.589 166 HA2 GLY 21 HA3 GLY 21 12.029 4.780 3.401 167 HA3 GLY 21 HA2 GLY 21 11.198 5.880 2.303 168 H ILE 22 HN ILE 22 9.088 6.172 2.692 169 HA ILE 22 HA ILE 22 7.474 3.919 3.607 170 HB ILE 22 HB ILE 22 6.347 5.372 5.327 171 HG12 ILE 22 HG12 ILE 22 8.858 7.037 5.051 172 HG13 ILE 22 HG11 ILE 22 7.257 7.529 4.511 173 HG21 ILE 22 HG21 ILE 22 7.859 3.566 5.943 174 HG22 ILE 22 HG22 ILE 22 7.977 4.917 7.070 175 HG23 ILE 22 HG23 ILE 22 9.228 4.673 5.851 176 HD11 ILE 22 HD11 ILE 22 8.048 6.948 7.355 177 HD12 ILE 22 HD12 ILE 22 6.455 7.468 6.807 178 HD13 ILE 22 HD13 ILE 22 7.839 8.547 6.641 179 H CYS 23 HN CYS 23 5.292 4.097 3.177 180 HA CYS 23 HA CYS 23 4.392 6.138 1.331 181 HB2 CYS 23 HB3 CYS 23 2.260 4.504 2.350 182 HB3 CYS 23 HB2 CYS 23 2.934 4.506 0.732 183 H ARG 24 HN ARG 24 2.967 7.807 1.888 184 HA ARG 24 HA ARG 24 1.886 7.680 4.614 185 HB2 ARG 24 HB3 ARG 24 2.165 10.163 4.791 186 HB3 ARG 24 HB2 ARG 24 3.665 9.245 4.793 187 HG2 ARG 24 HG3 ARG 24 4.047 9.816 2.470 188 HG3 ARG 24 HG2 ARG 24 2.504 10.672 2.408 189 HD2 ARG 24 HD3 ARG 24 3.293 12.265 4.052 190 HD3 ARG 24 HD2 ARG 24 4.809 11.380 4.221 191 HE ARG 24 HE ARG 24 4.643 11.998 1.559 192 HH11 ARG 24 HH11 ARG 24 4.603 13.833 4.534 193 HH12 ARG 24 HH12 ARG 24 5.343 15.232 3.832 194 HH21 ARG 24 HH21 ARG 24 5.609 13.834 0.624 195 HH22 ARG 24 HH22 ARG 24 5.904 15.238 1.595 196 H ARG 25 HN ARG 25 1.489 9.126 1.365 197 HA ARG 25 HA ARG 25 -1.147 8.362 1.114 198 HB2 ARG 25 HB3 ARG 25 -0.918 10.724 2.752 199 HB3 ARG 25 HB2 ARG 25 -1.811 11.083 1.279 200 HG2 ARG 25 HG3 ARG 25 -3.455 9.478 1.751 201 HG3 ARG 25 HG2 ARG 25 -2.462 8.705 2.985 202 HD2 ARG 25 HD3 ARG 25 -2.664 10.709 4.380 203 HD3 ARG 25 HD2 ARG 25 -3.683 11.454 3.150 204 HE ARG 25 HE ARG 25 -5.339 9.747 3.588 205 HH11 ARG 25 HH11 ARG 25 -2.768 10.022 5.954 206 HH12 ARG 25 HH12 ARG 25 -3.680 9.273 7.221 207 HH21 ARG 25 HH21 ARG 25 -6.546 8.769 5.256 208 HH22 ARG 25 HH22 ARG 25 -5.836 8.571 6.827 209 HA PRO 26 HA PRO 26 -2.704 8.455 0.038 210 HB2 PRO 26 HB3 PRO 26 -3.520 7.985 -2.681 211 HB3 PRO 26 HB2 PRO 26 -4.330 8.985 -1.471 212 HG2 PRO 26 HG3 PRO 26 -3.168 9.983 -3.738 213 HG3 PRO 26 HG2 PRO 26 -3.344 10.910 -2.233 214 HD2 PRO 26 HD3 PRO 26 -0.944 9.426 -3.270 215 HD3 PRO 26 HD2 PRO 26 -1.035 11.047 -2.538 216 H TYR 27 HN TYR 27 -1.493 6.672 0.638 217 HA TYR 27 HA TYR 27 -1.328 4.449 -1.161 218 HB2 TYR 27 HB3 TYR 27 1.270 5.520 -0.031 219 HB3 TYR 27 HB2 TYR 27 1.077 4.077 -1.008 220 HD1 TYR 27 HD1 TYR 27 0.624 4.260 -3.420 221 HD2 TYR 27 HD2 TYR 27 1.383 7.698 -1.031 222 HE1 TYR 27 HE1 TYR 27 1.107 5.553 -5.450 223 HE2 TYR 27 HE2 TYR 27 1.873 8.994 -3.063 224 HH TYR 27 HH TYR 27 1.102 7.922 -6.172 225 H TYR 28 HN TYR 28 -1.470 2.620 0.040 226 HA TYR 28 HA TYR 28 -1.061 2.974 2.914 227 HB2 TYR 28 HB3 TYR 28 -2.556 1.015 3.239 228 HB3 TYR 28 HB2 TYR 28 -3.347 2.413 2.531 229 HD1 TYR 28 HD1 TYR 28 -2.628 -1.088 2.209 230 HD2 TYR 28 HD2 TYR 28 -3.802 2.371 0.002 231 HE1 TYR 28 HE1 TYR 28 -3.561 -2.525 0.451 232 HE2 TYR 28 HE2 TYR 28 -4.733 0.929 -1.756 233 HH TYR 28 HH TYR 28 -4.581 -1.313 -2.596 234 H TRP 29 HN TRP 29 0.390 1.890 3.929 235 HA TRP 29 HA TRP 29 2.429 0.545 2.540 236 HB2 TRP 29 HB3 TRP 29 2.733 1.850 4.644 237 HB3 TRP 29 HB2 TRP 29 1.895 0.578 5.518 238 HD1 TRP 29 HD1 TRP 29 5.215 1.295 3.746 239 HE1 TRP 29 HE1 TRP 29 6.940 -0.437 4.508 240 HE3 TRP 29 HE3 TRP 29 2.145 -1.753 6.435 241 HZ2 TRP 29 HZ2 TRP 29 6.998 -2.800 6.053 242 HZ3 TRP 29 HZ3 TRP 29 3.106 -3.740 7.524 243 HH2 TRP 29 HH2 TRP 29 5.486 -4.253 7.332 244 H ILE 30 HN ILE 30 2.221 -1.392 1.690 245 HA ILE 30 HA ILE 30 1.155 -3.539 3.396 246 HB ILE 30 HB ILE 30 0.730 -4.753 1.186 247 HG12 ILE 30 HG12 ILE 30 0.953 -1.930 0.085 248 HG13 ILE 30 HG11 ILE 30 2.062 -3.248 -0.268 249 HG21 ILE 30 HG21 ILE 30 -0.884 -2.285 1.809 250 HG22 ILE 30 HG22 ILE 30 -1.060 -3.868 2.567 251 HG23 ILE 30 HG23 ILE 30 -1.438 -3.663 0.857 252 HD11 ILE 30 HD11 ILE 30 0.560 -2.929 -2.105 253 HD12 ILE 30 HD12 ILE 30 -0.841 -3.079 -1.037 254 HD13 ILE 30 HD13 ILE 30 0.207 -4.474 -1.326 255 H GLY 31 HN GLY 31 3.159 -4.049 4.286 256 HA2 GLY 31 HA3 GLY 31 5.172 -5.158 4.421 257 HA3 GLY 31 HA2 GLY 31 4.881 -5.750 2.797 258 H THR 32 HN THR 32 7.332 -5.430 2.818 259 HA THR 32 HA THR 32 8.063 -2.622 2.337 260 HB THR 32 HB THR 32 10.428 -3.422 2.686 261 HG1 THR 32 HG2 THR 32 10.792 -5.462 3.331 262 HG21 THR 32 HG21 THR 32 10.245 -3.530 5.122 263 HG22 THR 32 HG22 THR 32 8.519 -3.862 4.985 264 HG23 THR 32 HG23 THR 32 9.159 -2.302 4.467 265 H CYS 33 HN CYS 33 9.936 -2.365 0.714 266 HA CYS 33 HA CYS 33 10.132 -4.329 -1.370 267 HB2 CYS 33 HB3 CYS 33 7.958 -3.248 -1.926 268 HB3 CYS 33 HB2 CYS 33 8.784 -1.693 -2.002 269 H ASN 34 HN ASN 34 12.255 -4.223 -1.370 270 HA ASN 34 HA ASN 34 13.773 -2.617 -2.920 271 HB2 ASN 34 HB3 ASN 34 13.482 -1.469 -0.202 272 HB3 ASN 34 HB2 ASN 34 15.113 -1.550 -0.843 273 HD21 ASN 34 HD21 ASN 34 13.329 0.705 -0.262 274 HD22 ASN 34 HD22 ASN 34 13.242 1.594 -1.728 275 H ASN 35 HN ASN 35 13.569 -5.298 -2.244 276 HA ASN 35 HA ASN 35 14.696 -7.164 -1.635 277 HB2 ASN 35 HB3 ASN 35 17.029 -5.289 -2.028 278 HB3 ASN 35 HB2 ASN 35 17.214 -7.016 -1.738 279 HD21 ASN 35 HD21 ASN 35 17.917 -5.359 -4.061 280 HD22 ASN 35 HD22 ASN 35 17.123 -6.098 -5.407 281 H GLY 36 HN GLY 36 13.638 -5.644 0.485 282 HA2 GLY 36 HA3 GLY 36 14.105 -6.762 2.752 283 HA3 GLY 36 HA2 GLY 36 15.655 -5.944 2.608 284 H ILE 37 HN ILE 37 15.423 -3.544 2.075 285 HA ILE 37 HA ILE 37 13.685 -2.305 4.007 286 HB ILE 37 HB ILE 37 14.666 -0.172 2.865 287 HG12 ILE 37 HG12 ILE 37 16.649 -2.272 1.979 288 HG13 ILE 37 HG11 ILE 37 15.575 -1.372 0.917 289 HG21 ILE 37 HG21 ILE 37 16.314 -2.075 4.522 290 HG22 ILE 37 HG22 ILE 37 15.199 -0.846 5.116 291 HG23 ILE 37 HG23 ILE 37 16.680 -0.366 4.289 292 HD11 ILE 37 HD11 ILE 37 16.665 0.694 1.530 293 HD12 ILE 37 HD12 ILE 37 17.838 -0.472 0.917 294 HD13 ILE 37 HD13 ILE 37 17.709 -0.175 2.651 295 H GLY 38 HN GLY 38 13.022 0.091 2.692 296 HA2 GLY 38 HA3 GLY 38 11.776 1.003 0.989 297 HA3 GLY 38 HA2 GLY 38 11.655 -0.590 0.254 298 H SER 39 HN SER 39 9.479 0.611 0.141 299 HA SER 39 HA SER 39 7.810 -0.606 2.184 300 HB2 SER 39 HB3 SER 39 8.075 2.279 1.535 301 HB3 SER 39 HB2 SER 39 6.451 1.673 1.899 302 HG SER 39 HG SER 39 8.650 2.036 3.541 303 H CYS 40 HN CYS 40 6.655 -1.963 1.092 304 HA CYS 40 HA CYS 40 5.891 -1.547 -1.658 305 HB2 CYS 40 HB3 CYS 40 6.425 -3.804 -0.817 306 HB3 CYS 40 HB2 CYS 40 5.136 -3.678 0.367 307 H CYS 41 HN CYS 41 4.287 -0.135 -2.066 308 HA CYS 41 HA CYS 41 2.034 -0.077 -0.170 309 HB2 CYS 41 HB3 CYS 41 2.878 2.409 -1.620 310 HB3 CYS 41 HB2 CYS 41 2.027 2.250 -0.087 311 H ALA 42 HN ALA 42 -0.012 0.504 -1.189 312 HA ALA 42 HA ALA 42 0.146 0.397 -4.110 313 HB1 ALA 42 HB1 ALA 42 -2.086 -0.645 -4.135 314 HB2 ALA 42 HB2 ALA 42 -2.066 -0.680 -2.372 315 HB3 ALA 42 HB3 ALA 42 -0.890 -1.633 -3.289 316 H ARG 43 HN ARG 43 -0.676 1.973 -5.250 317 HA ARG 43 HA ARG 43 -1.211 4.440 -4.119 318 HB2 ARG 43 HB3 ARG 43 -0.527 3.879 -6.520 319 HB3 ARG 43 HB2 ARG 43 -2.234 3.586 -6.826 320 HG2 ARG 43 HG3 ARG 43 -1.180 6.189 -5.756 321 HG3 ARG 43 HG2 ARG 43 -1.356 5.849 -7.475 322 HD2 ARG 43 HD3 ARG 43 -3.727 5.596 -7.246 323 HD3 ARG 43 HD2 ARG 43 -3.616 5.690 -5.489 324 HE ARG 43 HE ARG 43 -2.568 8.014 -6.786 325 HH11 ARG 43 HH11 ARG 43 -5.524 6.462 -5.747 326 HH12 ARG 43 HH12 ARG 43 -6.384 7.951 -5.532 327 HH21 ARG 43 HH21 ARG 43 -3.698 9.986 -6.503 328 HH22 ARG 43 HH22 ARG 43 -5.345 9.956 -5.963 329 H GLY 44 HN GLY 44 -2.786 4.884 -2.802 330 HA2 GLY 44 HA3 GLY 44 -5.273 5.475 -3.105 331 HA3 GLY 44 HA2 GLY 44 -5.448 3.738 -3.270 332 H TRP 45 HN TRP 45 -6.895 3.987 -1.423 333 HA TRP 45 HA TRP 45 -5.354 3.716 1.037 334 HB2 TRP 45 HB3 TRP 45 -6.332 6.098 0.741 335 HB3 TRP 45 HB2 TRP 45 -7.887 5.335 1.079 336 HD1 TRP 45 HD1 TRP 45 -8.500 5.196 3.579 337 HE1 TRP 45 HE1 TRP 45 -7.193 5.337 5.793 338 HE3 TRP 45 HE3 TRP 45 -3.781 5.509 1.679 339 HZ2 TRP 45 HZ2 TRP 45 -4.491 5.548 6.614 340 HZ3 TRP 45 HZ3 TRP 45 -1.882 5.681 3.246 341 HH2 TRP 45 HH2 TRP 45 -2.237 5.701 5.661 342 H ARG 46 HN ARG 46 -5.860 1.836 1.886 343 HA ARG 46 HA ARG 46 -8.454 0.659 1.264 344 HB2 ARG 46 HB3 ARG 46 -6.686 -0.782 0.764 345 HB3 ARG 46 HB2 ARG 46 -5.852 -0.446 2.271 346 HG2 ARG 46 HG3 ARG 46 -7.437 -1.736 3.500 347 HG3 ARG 46 HG2 ARG 46 -8.485 -1.892 2.086 348 HD2 ARG 46 HD3 ARG 46 -5.709 -3.035 2.395 349 HD3 ARG 46 HD2 ARG 46 -7.223 -3.940 2.444 350 HE ARG 46 HE ARG 46 -6.277 -2.493 0.039 351 HH11 ARG 46 HH11 ARG 46 -7.649 -5.347 1.548 352 HH12 ARG 46 HH12 ARG 46 -7.984 -6.125 0.034 353 HH21 ARG 46 HH21 ARG 46 -6.739 -3.526 -1.945 354 HH22 ARG 46 HH22 ARG 46 -7.478 -5.098 -1.938 355 H SER 47 HN SER 47 -9.915 0.088 2.693 356 HA SER 47 HA SER 47 -11.194 0.095 4.552 357 HB2 SER 47 HB3 SER 47 -9.260 -1.317 5.392 358 HB3 SER 47 HB2 SER 47 -8.642 0.140 6.169 359 HG SER 47 HG SER 47 -10.352 0.174 7.517 Start of MODEL 4 1 H PCA 1 HT2 PCA 1 -15.995 5.795 2.305 2 HA PCA 1 HA PCA 1 -14.985 4.025 1.679 3 HB2 PCA 1 HB2 PCA 1 -15.314 2.137 2.903 4 HB3 PCA 1 HB3 PCA 1 -16.964 1.955 2.292 5 HG2 PCA 1 HG2 PCA 1 -16.036 3.275 4.753 6 HG3 PCA 1 HG3 PCA 1 -17.689 2.772 4.298 7 HT1 PCA 1 HT1 PCA 1 -17.448 5.293 1.707 8 HA PRO 2 HA PRO 2 -17.205 3.684 -2.252 9 HB2 PRO 2 HB3 PRO 2 -14.643 3.078 -3.453 10 HB3 PRO 2 HB2 PRO 2 -15.618 4.539 -3.632 11 HG2 PRO 2 HG3 PRO 2 -13.205 4.476 -2.348 12 HG3 PRO 2 HG2 PRO 2 -14.484 5.648 -1.985 13 HD2 PRO 2 HD3 PRO 2 -13.756 3.125 -0.538 14 HD3 PRO 2 HD2 PRO 2 -14.204 4.717 0.122 15 H PHE 3 HN PHE 3 -14.797 1.582 -0.896 16 HA PHE 3 HA PHE 3 -16.185 -0.740 -2.026 17 HB2 PHE 3 HB3 PHE 3 -14.164 -1.879 -2.354 18 HB3 PHE 3 HB2 PHE 3 -13.727 -0.235 -2.803 19 HD1 PHE 3 HD1 PHE 3 -12.822 -3.022 -0.899 20 HD2 PHE 3 HD2 PHE 3 -12.785 1.233 -0.817 21 HE1 PHE 3 HE1 PHE 3 -11.049 -3.072 0.802 22 HE2 PHE 3 HE2 PHE 3 -11.010 1.185 0.884 23 HZ PHE 3 HZ PHE 3 -10.155 -0.971 1.699 24 H ILE 4 HN ILE 4 -15.922 -2.690 -0.520 25 HA ILE 4 HA ILE 4 -16.427 -1.804 2.179 26 HB ILE 4 HB ILE 4 -17.876 -3.523 1.278 27 HG12 ILE 4 HG12 ILE 4 -17.572 -5.295 3.058 28 HG13 ILE 4 HG11 ILE 4 -16.087 -4.469 3.517 29 HG21 ILE 4 HG21 ILE 4 -15.396 -5.207 1.009 30 HG22 ILE 4 HG22 ILE 4 -16.418 -4.603 -0.294 31 HG23 ILE 4 HG23 ILE 4 -17.045 -5.804 0.832 32 HD11 ILE 4 HD11 ILE 4 -17.355 -2.463 4.045 33 HD12 ILE 4 HD12 ILE 4 -17.947 -3.852 4.956 34 HD13 ILE 4 HD13 ILE 4 -18.845 -3.269 3.555 35 HA PRO 5 HA PRO 5 -12.083 -1.945 3.346 36 HB2 PRO 5 HB3 PRO 5 -12.929 -2.199 6.069 37 HB3 PRO 5 HB2 PRO 5 -12.267 -0.779 5.264 38 HG2 PRO 5 HG3 PRO 5 -15.068 -1.480 5.839 39 HG3 PRO 5 HG2 PRO 5 -14.344 0.108 5.545 40 HD2 PRO 5 HD3 PRO 5 -15.949 -1.089 3.751 41 HD3 PRO 5 HD2 PRO 5 -14.590 -0.065 3.259 42 H ARG 6 HN ARG 6 -11.243 -3.850 2.828 43 HA ARG 6 HA ARG 6 -11.926 -6.219 4.408 44 HB2 ARG 6 HB3 ARG 6 -10.206 -5.893 1.932 45 HB3 ARG 6 HB2 ARG 6 -10.513 -7.421 2.744 46 HG2 ARG 6 HG3 ARG 6 -12.854 -7.297 2.200 47 HG3 ARG 6 HG2 ARG 6 -12.641 -5.685 1.510 48 HD2 ARG 6 HD3 ARG 6 -12.754 -7.367 -0.245 49 HD3 ARG 6 HD2 ARG 6 -11.162 -6.613 -0.200 50 HE ARG 6 HE ARG 6 -11.331 -9.050 1.323 51 HH11 ARG 6 HH11 ARG 6 -10.707 -7.662 -1.831 52 HH12 ARG 6 HH12 ARG 6 -9.819 -9.042 -2.399 53 HH21 ARG 6 HH21 ARG 6 -10.160 -10.860 0.588 54 HH22 ARG 6 HH22 ARG 6 -9.502 -10.860 -1.019 55 HA PRO 7 HA PRO 7 -8.398 -6.012 7.111 56 HB2 PRO 7 HB3 PRO 7 -7.377 -8.582 6.409 57 HB3 PRO 7 HB2 PRO 7 -8.346 -8.160 7.820 58 HG2 PRO 7 HG3 PRO 7 -9.179 -9.376 5.259 59 HG3 PRO 7 HG2 PRO 7 -9.921 -9.503 6.861 60 HD2 PRO 7 HD3 PRO 7 -11.030 -8.049 4.891 61 HD3 PRO 7 HD2 PRO 7 -11.133 -7.551 6.594 62 H ILE 8 HN ILE 8 -6.582 -4.976 6.736 63 HA ILE 8 HA ILE 8 -5.677 -4.513 4.133 64 HB ILE 8 HB ILE 8 -4.392 -3.890 6.784 65 HG12 ILE 8 HG12 ILE 8 -5.965 -2.200 4.828 66 HG13 ILE 8 HG11 ILE 8 -6.595 -2.867 6.326 67 HG21 ILE 8 HG21 ILE 8 -2.673 -3.935 5.058 68 HG22 ILE 8 HG22 ILE 8 -3.007 -2.273 5.543 69 HG23 ILE 8 HG23 ILE 8 -3.659 -2.896 4.027 70 HD11 ILE 8 HD11 ILE 8 -6.073 -0.533 6.580 71 HD12 ILE 8 HD12 ILE 8 -4.409 -0.821 6.067 72 HD13 ILE 8 HD13 ILE 8 -4.997 -1.507 7.583 73 H ASP 9 HN ASP 9 -4.632 -5.800 2.871 74 HA ASP 9 HA ASP 9 -3.254 -8.109 3.888 75 HB2 ASP 9 HB3 ASP 9 -3.748 -7.155 1.061 76 HB3 ASP 9 HB2 ASP 9 -2.918 -8.660 1.460 77 H THR 10 HN THR 10 -1.162 -8.719 3.056 78 HA THR 10 HA THR 10 0.770 -6.613 3.232 79 HB THR 10 HB THR 10 2.385 -8.517 2.803 80 HG1 THR 10 HG2 THR 10 1.580 -10.551 2.651 81 HG21 THR 10 HG21 THR 10 1.824 -7.700 5.036 82 HG22 THR 10 HG22 THR 10 2.054 -9.450 5.047 83 HG23 THR 10 HG23 THR 10 0.426 -8.771 5.083 84 H CYS 11 HN CYS 11 2.714 -7.126 1.526 85 HA CYS 11 HA CYS 11 2.010 -5.871 -0.854 86 HB2 CYS 11 HB3 CYS 11 4.273 -6.038 0.233 87 HB3 CYS 11 HB2 CYS 11 4.386 -7.670 -0.405 88 H ARG 12 HN ARG 12 1.042 -8.912 -0.078 89 HA ARG 12 HA ARG 12 1.420 -10.377 -2.424 90 HB2 ARG 12 HB3 ARG 12 -0.411 -11.753 -1.770 91 HB3 ARG 12 HB2 ARG 12 0.590 -11.383 -0.383 92 HG2 ARG 12 HG3 ARG 12 -1.045 -9.791 0.409 93 HG3 ARG 12 HG2 ARG 12 -2.048 -10.100 -1.020 94 HD2 ARG 12 HD3 ARG 12 -2.336 -12.377 -0.427 95 HD3 ARG 12 HD2 ARG 12 -1.114 -12.244 0.830 96 HE ARG 12 HE ARG 12 -3.343 -10.510 1.287 97 HH11 ARG 12 HH11 ARG 12 -2.207 -13.800 1.630 98 HH12 ARG 12 HH12 ARG 12 -3.326 -14.193 2.894 99 HH21 ARG 12 HH21 ARG 12 -4.837 -11.019 2.943 100 HH22 ARG 12 HH22 ARG 12 -4.822 -12.615 3.640 101 H LEU 13 HN LEU 13 -0.903 -7.854 -1.627 102 HA LEU 13 HA LEU 13 -1.983 -7.926 -4.337 103 HB2 LEU 13 HB3 LEU 13 -2.481 -6.247 -1.896 104 HB3 LEU 13 HB2 LEU 13 -2.952 -5.637 -3.466 105 HG LEU 13 HG LEU 13 -4.852 -6.638 -2.351 106 HD11 LEU 13 HD11 LEU 13 -3.897 -8.364 -4.628 107 HD12 LEU 13 HD12 LEU 13 -4.734 -6.820 -4.780 108 HD13 LEU 13 HD13 LEU 13 -5.561 -8.203 -4.069 109 HD21 LEU 13 HD21 LEU 13 -3.269 -9.198 -2.325 110 HD22 LEU 13 HD22 LEU 13 -4.940 -8.995 -1.799 111 HD23 LEU 13 HD23 LEU 13 -3.634 -8.203 -0.916 112 H ARG 14 HN ARG 14 -0.455 -7.296 -5.828 113 HA ARG 14 HA ARG 14 1.655 -5.600 -4.792 114 HB2 ARG 14 HB3 ARG 14 2.118 -7.917 -5.551 115 HB3 ARG 14 HB2 ARG 14 1.633 -7.438 -7.175 116 HG2 ARG 14 HG3 ARG 14 3.926 -7.273 -7.205 117 HG3 ARG 14 HG2 ARG 14 3.361 -5.618 -6.949 118 HD2 ARG 14 HD3 ARG 14 5.235 -6.125 -5.469 119 HD3 ARG 14 HD2 ARG 14 3.748 -5.832 -4.555 120 HE ARG 14 HE ARG 14 3.590 -8.173 -4.136 121 HH11 ARG 14 HH11 ARG 14 6.598 -7.205 -5.647 122 HH12 ARG 14 HH12 ARG 14 7.473 -8.599 -5.099 123 HH21 ARG 14 HH21 ARG 14 4.739 -10.017 -3.414 124 HH22 ARG 14 HH22 ARG 14 6.415 -10.198 -3.827 125 H ASN 15 HN ASN 15 2.739 -4.144 -6.194 126 HA ASN 15 HA ASN 15 3.125 -2.719 -7.880 127 HB2 ASN 15 HB3 ASN 15 1.053 -4.400 -9.273 128 HB3 ASN 15 HB2 ASN 15 1.820 -3.016 -10.045 129 HD21 ASN 15 HD21 ASN 15 1.925 -5.864 -10.711 130 HD22 ASN 15 HD22 ASN 15 3.601 -6.281 -10.713 131 H GLY 16 HN GLY 16 2.085 -1.359 -6.097 132 HA2 GLY 16 HA3 GLY 16 0.069 0.209 -7.565 133 HA3 GLY 16 HA2 GLY 16 0.065 0.096 -5.813 134 H ILE 17 HN ILE 17 2.550 0.583 -4.985 135 HA ILE 17 HA ILE 17 4.290 1.804 -6.849 136 HB ILE 17 HB ILE 17 3.019 3.678 -4.876 137 HG12 ILE 17 HG12 ILE 17 4.050 3.903 -7.714 138 HG13 ILE 17 HG11 ILE 17 2.371 3.920 -7.190 139 HG21 ILE 17 HG21 ILE 17 5.861 3.933 -5.858 140 HG22 ILE 17 HG22 ILE 17 5.373 3.588 -4.200 141 HG23 ILE 17 HG23 ILE 17 4.971 5.141 -4.932 142 HD11 ILE 17 HD11 ILE 17 4.425 6.040 -6.616 143 HD12 ILE 17 HD12 ILE 17 2.748 6.061 -6.077 144 HD13 ILE 17 HD13 ILE 17 3.121 6.139 -7.799 145 H CYS 18 HN CYS 18 6.323 1.195 -6.275 146 HA CYS 18 HA CYS 18 6.783 0.388 -3.501 147 HB2 CYS 18 HB3 CYS 18 8.175 -0.106 -6.089 148 HB3 CYS 18 HB2 CYS 18 9.154 -0.098 -4.626 149 H PHE 19 HN PHE 19 7.378 1.916 -2.127 150 HA PHE 19 HA PHE 19 8.873 4.231 -3.101 151 HB2 PHE 19 HB3 PHE 19 7.429 3.628 -0.525 152 HB3 PHE 19 HB2 PHE 19 8.496 5.009 -0.682 153 HD1 PHE 19 HD1 PHE 19 5.224 3.692 -1.277 154 HD2 PHE 19 HD2 PHE 19 7.929 6.783 -2.379 155 HE1 PHE 19 HE1 PHE 19 3.358 4.989 -2.216 156 HE2 PHE 19 HE2 PHE 19 6.067 8.085 -3.311 157 HZ PHE 19 HZ PHE 19 3.764 7.257 -3.108 158 HA PRO 20 HA PRO 20 12.430 2.671 -0.855 159 HB2 PRO 20 HB3 PRO 20 14.158 4.630 -1.471 160 HB3 PRO 20 HB2 PRO 20 13.695 3.398 -2.651 161 HG2 PRO 20 HG3 PRO 20 12.844 6.239 -2.445 162 HG3 PRO 20 HG2 PRO 20 13.052 5.227 -3.883 163 HD2 PRO 20 HD3 PRO 20 10.620 5.831 -2.584 164 HD3 PRO 20 HD2 PRO 20 10.871 4.603 -3.839 165 H GLY 21 HN GLY 21 11.681 2.897 1.206 166 HA2 GLY 21 HA3 GLY 21 12.279 4.324 3.208 167 HA3 GLY 21 HA2 GLY 21 11.500 5.621 2.309 168 H ILE 22 HN ILE 22 9.357 5.912 2.568 169 HA ILE 22 HA ILE 22 7.710 3.738 3.608 170 HB ILE 22 HB ILE 22 6.767 5.348 5.350 171 HG12 ILE 22 HG12 ILE 22 9.436 6.692 4.862 172 HG13 ILE 22 HG11 ILE 22 7.857 7.382 4.503 173 HG21 ILE 22 HG21 ILE 22 9.550 4.248 5.698 174 HG22 ILE 22 HG22 ILE 22 8.036 3.382 5.958 175 HG23 ILE 22 HG23 ILE 22 8.473 4.728 7.009 176 HD11 ILE 22 HD11 ILE 22 8.798 8.291 6.553 177 HD12 ILE 22 HD12 ILE 22 8.879 6.670 7.243 178 HD13 ILE 22 HD13 ILE 22 7.316 7.394 6.871 179 H CYS 23 HN CYS 23 5.568 3.899 3.139 180 HA CYS 23 HA CYS 23 4.621 5.942 1.324 181 HB2 CYS 23 HB3 CYS 23 2.550 4.263 2.470 182 HB3 CYS 23 HB2 CYS 23 3.069 4.362 0.799 183 H ARG 24 HN ARG 24 3.627 7.832 2.029 184 HA ARG 24 HA ARG 24 2.531 7.685 4.758 185 HB2 ARG 24 HB3 ARG 24 2.888 10.129 4.923 186 HB3 ARG 24 HB2 ARG 24 4.374 9.216 4.725 187 HG2 ARG 24 HG3 ARG 24 4.435 9.822 2.360 188 HG3 ARG 24 HG2 ARG 24 2.940 10.741 2.560 189 HD2 ARG 24 HD3 ARG 24 4.053 12.194 4.181 190 HD3 ARG 24 HD2 ARG 24 5.539 11.268 3.993 191 HE ARG 24 HE ARG 24 4.657 12.242 1.486 192 HH11 ARG 24 HH11 ARG 24 6.169 13.287 4.463 193 HH12 ARG 24 HH12 ARG 24 7.016 14.608 3.724 194 HH21 ARG 24 HH21 ARG 24 5.768 13.983 0.503 195 HH22 ARG 24 HH22 ARG 24 6.796 14.994 1.465 196 H ARG 25 HN ARG 25 1.916 9.108 1.522 197 HA ARG 25 HA ARG 25 -0.711 8.307 1.432 198 HB2 ARG 25 HB3 ARG 25 -0.450 10.599 3.138 199 HB3 ARG 25 HB2 ARG 25 -1.376 11.045 1.708 200 HG2 ARG 25 HG3 ARG 25 -3.033 9.449 2.140 201 HG3 ARG 25 HG2 ARG 25 -2.014 8.570 3.276 202 HD2 ARG 25 HD3 ARG 25 -2.127 10.493 4.812 203 HD3 ARG 25 HD2 ARG 25 -3.211 11.307 3.683 204 HE ARG 25 HE ARG 25 -4.684 9.258 4.036 205 HH11 ARG 25 HH11 ARG 25 -2.589 10.594 6.506 206 HH12 ARG 25 HH12 ARG 25 -3.531 9.965 7.821 207 HH21 ARG 25 HH21 ARG 25 -5.927 8.436 5.780 208 HH22 ARG 25 HH22 ARG 25 -5.417 8.744 7.413 209 HA PRO 26 HA PRO 26 -2.444 8.577 0.501 210 HB2 PRO 26 HB3 PRO 26 -3.515 8.328 -2.170 211 HB3 PRO 26 HB2 PRO 26 -4.185 9.238 -0.811 212 HG2 PRO 26 HG3 PRO 26 -3.216 10.430 -3.051 213 HG3 PRO 26 HG2 PRO 26 -3.142 11.184 -1.443 214 HD2 PRO 26 HD3 PRO 26 -0.994 9.663 -2.909 215 HD3 PRO 26 HD2 PRO 26 -0.879 11.226 -2.063 216 H TYR 27 HN TYR 27 -1.379 6.693 0.908 217 HA TYR 27 HA TYR 27 -1.430 4.592 -1.037 218 HB2 TYR 27 HB3 TYR 27 1.262 5.527 0.008 219 HB3 TYR 27 HB2 TYR 27 0.984 4.070 -0.928 220 HD1 TYR 27 HD1 TYR 27 0.586 4.181 -3.318 221 HD2 TYR 27 HD2 TYR 27 1.251 7.720 -1.050 222 HE1 TYR 27 HE1 TYR 27 1.015 5.418 -5.391 223 HE2 TYR 27 HE2 TYR 27 1.679 8.966 -3.125 224 HH TYR 27 HH TYR 27 2.385 8.518 -5.440 225 H TYR 28 HN TYR 28 -1.426 2.640 -0.003 226 HA TYR 28 HA TYR 28 -1.153 2.803 2.912 227 HB2 TYR 28 HB3 TYR 28 -2.529 0.667 2.915 228 HB3 TYR 28 HB2 TYR 28 -3.373 2.135 2.440 229 HD1 TYR 28 HD1 TYR 28 -2.534 -1.232 1.528 230 HD2 TYR 28 HD2 TYR 28 -3.708 2.544 -0.085 231 HE1 TYR 28 HE1 TYR 28 -3.298 -2.338 -0.534 232 HE2 TYR 28 HE2 TYR 28 -4.466 1.435 -2.134 233 HH TYR 28 HH TYR 28 -4.845 -1.930 -2.386 234 H TRP 29 HN TRP 29 0.377 1.756 3.880 235 HA TRP 29 HA TRP 29 2.446 0.479 2.465 236 HB2 TRP 29 HB3 TRP 29 2.774 1.680 4.609 237 HB3 TRP 29 HB2 TRP 29 1.849 0.440 5.437 238 HD1 TRP 29 HD1 TRP 29 5.278 1.039 3.824 239 HE1 TRP 29 HE1 TRP 29 6.882 -0.797 4.620 240 HE3 TRP 29 HE3 TRP 29 1.935 -1.937 6.266 241 HZ2 TRP 29 HZ2 TRP 29 6.749 -3.207 6.091 242 HZ3 TRP 29 HZ3 TRP 29 2.748 -3.997 7.340 243 HH2 TRP 29 HH2 TRP 29 5.107 -4.619 7.249 244 H ILE 30 HN ILE 30 2.294 -1.416 1.553 245 HA ILE 30 HA ILE 30 1.033 -3.609 3.044 246 HB ILE 30 HB ILE 30 0.754 -4.685 0.738 247 HG12 ILE 30 HG12 ILE 30 1.070 -1.808 -0.163 248 HG13 ILE 30 HG11 ILE 30 2.245 -3.081 -0.465 249 HG21 ILE 30 HG21 ILE 30 -1.363 -3.543 0.330 250 HG22 ILE 30 HG22 ILE 30 -0.847 -2.206 1.357 251 HG23 ILE 30 HG23 ILE 30 -1.112 -3.804 2.057 252 HD11 ILE 30 HD11 ILE 30 0.801 -2.560 -2.387 253 HD12 ILE 30 HD12 ILE 30 -0.593 -3.105 -1.449 254 HD13 ILE 30 HD13 ILE 30 0.698 -4.243 -1.869 255 H GLY 31 HN GLY 31 2.889 -4.293 4.048 256 HA2 GLY 31 HA3 GLY 31 4.896 -5.380 4.298 257 HA3 GLY 31 HA2 GLY 31 4.694 -5.945 2.651 258 H THR 32 HN THR 32 7.154 -5.655 2.911 259 HA THR 32 HA THR 32 7.953 -2.874 2.431 260 HB THR 32 HB THR 32 10.314 -3.966 2.636 261 HG1 THR 32 HG2 THR 32 8.987 -5.812 4.295 262 HG21 THR 32 HG21 THR 32 9.372 -2.384 4.252 263 HG22 THR 32 HG22 THR 32 10.269 -3.666 5.062 264 HG23 THR 32 HG23 THR 32 8.506 -3.703 5.041 265 H CYS 33 HN CYS 33 9.730 -2.545 0.840 266 HA CYS 33 HA CYS 33 9.689 -4.422 -1.417 267 HB2 CYS 33 HB3 CYS 33 8.011 -2.554 -1.816 268 HB3 CYS 33 HB2 CYS 33 9.366 -1.432 -1.801 269 H ASN 34 HN ASN 34 11.429 -3.268 -3.124 270 HA ASN 34 HA ASN 34 13.624 -2.837 -3.497 271 HB2 ASN 34 HB3 ASN 34 13.487 -1.501 -0.790 272 HB3 ASN 34 HB2 ASN 34 14.881 -1.418 -1.854 273 HD21 ASN 34 HD21 ASN 34 13.295 0.743 -0.851 274 HD22 ASN 34 HD22 ASN 34 12.627 1.548 -2.226 275 H ASN 35 HN ASN 35 12.545 -4.951 -1.319 276 HA ASN 35 HA ASN 35 13.329 -6.847 -0.384 277 HB2 ASN 35 HB3 ASN 35 15.807 -6.208 -1.988 278 HB3 ASN 35 HB2 ASN 35 15.581 -7.700 -1.082 279 HD21 ASN 35 HD21 ASN 35 14.694 -5.886 -3.884 280 HD22 ASN 35 HD22 ASN 35 13.805 -7.139 -4.673 281 H GLY 36 HN GLY 36 13.169 -5.862 1.672 282 HA2 GLY 36 HA3 GLY 36 14.423 -6.252 3.728 283 HA3 GLY 36 HA2 GLY 36 15.822 -5.541 2.935 284 H ILE 37 HN ILE 37 15.331 -3.268 2.070 285 HA ILE 37 HA ILE 37 14.191 -1.666 4.213 286 HB ILE 37 HB ILE 37 14.979 -0.052 1.993 287 HG12 ILE 37 HG12 ILE 37 17.499 -0.712 2.171 288 HG13 ILE 37 HG11 ILE 37 16.872 -2.290 2.632 289 HG21 ILE 37 HG21 ILE 37 14.975 0.650 4.314 290 HG22 ILE 37 HG22 ILE 37 16.580 0.856 3.615 291 HG23 ILE 37 HG23 ILE 37 16.253 -0.506 4.686 292 HD11 ILE 37 HD11 ILE 37 15.641 -2.410 0.524 293 HD12 ILE 37 HD12 ILE 37 17.373 -2.209 0.264 294 HD13 ILE 37 HD13 ILE 37 16.284 -0.835 0.064 295 H GLY 38 HN GLY 38 13.513 0.477 2.155 296 HA2 GLY 38 HA3 GLY 38 11.871 1.124 0.733 297 HA3 GLY 38 HA2 GLY 38 11.863 -0.528 0.152 298 H SER 39 HN SER 39 9.587 0.696 0.023 299 HA SER 39 HA SER 39 8.026 -0.707 2.047 300 HB2 SER 39 HB3 SER 39 6.574 1.214 2.385 301 HB3 SER 39 HB2 SER 39 8.243 1.655 2.742 302 HG SER 39 HG SER 39 6.654 2.366 0.538 303 H CYS 40 HN CYS 40 6.731 -2.036 0.998 304 HA CYS 40 HA CYS 40 5.990 -1.510 -1.750 305 HB2 CYS 40 HB3 CYS 40 6.483 -3.825 -1.069 306 HB3 CYS 40 HB2 CYS 40 5.205 -3.752 0.138 307 H CYS 41 HN CYS 41 4.354 -0.210 -2.174 308 HA CYS 41 HA CYS 41 2.097 -0.157 -0.303 309 HB2 CYS 41 HB3 CYS 41 2.876 2.379 -1.661 310 HB3 CYS 41 HB2 CYS 41 2.154 2.135 -0.074 311 H ALA 42 HN ALA 42 0.139 0.826 -1.430 312 HA ALA 42 HA ALA 42 0.452 0.824 -4.321 313 HB1 ALA 42 HB1 ALA 42 -1.736 -0.647 -2.866 314 HB2 ALA 42 HB2 ALA 42 -0.446 -1.362 -3.844 315 HB3 ALA 42 HB3 ALA 42 -1.696 -0.374 -4.606 316 H ARG 43 HN ARG 43 -0.775 2.203 -5.466 317 HA ARG 43 HA ARG 43 -1.375 4.602 -4.158 318 HB2 ARG 43 HB3 ARG 43 -0.713 4.480 -6.526 319 HB3 ARG 43 HB2 ARG 43 -2.243 3.700 -6.909 320 HG2 ARG 43 HG3 ARG 43 -3.414 5.725 -6.071 321 HG3 ARG 43 HG2 ARG 43 -1.837 6.498 -5.885 322 HD2 ARG 43 HD3 ARG 43 -2.897 7.137 -7.986 323 HD3 ARG 43 HD2 ARG 43 -1.417 6.225 -8.269 324 HE ARG 43 HE ARG 43 -3.853 4.660 -8.268 325 HH11 ARG 43 HH11 ARG 43 -1.520 6.440 -10.174 326 HH12 ARG 43 HH12 ARG 43 -1.931 5.645 -11.659 327 HH21 ARG 43 HH21 ARG 43 -4.405 3.604 -10.213 328 HH22 ARG 43 HH22 ARG 43 -3.571 4.016 -11.679 329 H GLY 44 HN GLY 44 -2.983 4.997 -2.897 330 HA2 GLY 44 HA3 GLY 44 -5.476 5.466 -3.222 331 HA3 GLY 44 HA2 GLY 44 -5.582 3.724 -3.415 332 H TRP 45 HN TRP 45 -6.915 3.473 -1.629 333 HA TRP 45 HA TRP 45 -5.454 3.424 0.860 334 HB2 TRP 45 HB3 TRP 45 -6.590 5.731 0.603 335 HB3 TRP 45 HB2 TRP 45 -8.093 4.855 0.891 336 HD1 TRP 45 HD1 TRP 45 -8.752 4.661 3.377 337 HE1 TRP 45 HE1 TRP 45 -7.499 4.828 5.624 338 HE3 TRP 45 HE3 TRP 45 -4.016 5.233 1.587 339 HZ2 TRP 45 HZ2 TRP 45 -4.830 5.148 6.504 340 HZ3 TRP 45 HZ3 TRP 45 -2.163 5.466 3.197 341 HH2 TRP 45 HH2 TRP 45 -2.568 5.423 5.604 342 H ARG 46 HN ARG 46 -5.841 1.513 1.711 343 HA ARG 46 HA ARG 46 -8.539 0.403 1.440 344 HB2 ARG 46 HB3 ARG 46 -6.894 -1.163 0.770 345 HB3 ARG 46 HB2 ARG 46 -5.910 -0.861 2.198 346 HG2 ARG 46 HG3 ARG 46 -7.696 -1.851 3.580 347 HG3 ARG 46 HG2 ARG 46 -8.621 -2.186 2.117 348 HD2 ARG 46 HD3 ARG 46 -5.864 -3.257 2.673 349 HD3 ARG 46 HD2 ARG 46 -7.356 -4.134 3.007 350 HE ARG 46 HE ARG 46 -6.923 -3.218 0.270 351 HH11 ARG 46 HH11 ARG 46 -6.982 -5.848 2.576 352 HH12 ARG 46 HH12 ARG 46 -6.827 -7.088 1.365 353 HH21 ARG 46 HH21 ARG 46 -6.785 -4.852 -1.336 354 HH22 ARG 46 HH22 ARG 46 -6.756 -6.518 -0.850 355 H SER 47 HN SER 47 -9.769 -0.009 3.142 356 HA SER 47 HA SER 47 -10.688 0.170 5.197 357 HB2 SER 47 HB3 SER 47 -8.602 -1.285 5.693 358 HB3 SER 47 HB2 SER 47 -7.941 0.177 6.418 359 HG SER 47 HG SER 47 -9.300 0.017 8.038 Start of MODEL 5 1 H PCA 1 HT2 PCA 1 -12.223 7.524 -3.806 2 HA PCA 1 HA PCA 1 -11.561 5.449 -3.854 3 HB2 PCA 1 HB2 PCA 1 -12.549 3.821 -2.585 4 HB3 PCA 1 HB3 PCA 1 -14.150 4.143 -3.267 5 HG2 PCA 1 HG2 PCA 1 -12.885 5.318 -0.886 6 HG3 PCA 1 HG3 PCA 1 -14.595 5.390 -1.400 7 HT1 PCA 1 HT1 PCA 1 -13.799 7.177 -4.165 8 HA PRO 2 HA PRO 2 -13.301 5.119 -8.032 9 HB2 PRO 2 HB3 PRO 2 -10.782 3.867 -8.745 10 HB3 PRO 2 HB2 PRO 2 -11.411 5.440 -9.253 11 HG2 PRO 2 HG3 PRO 2 -9.251 5.148 -7.615 12 HG3 PRO 2 HG2 PRO 2 -10.325 6.558 -7.573 13 HD2 PRO 2 HD3 PRO 2 -10.287 4.150 -5.783 14 HD3 PRO 2 HD2 PRO 2 -10.483 5.868 -5.358 15 H PHE 3 HN PHE 3 -11.567 2.759 -6.140 16 HA PHE 3 HA PHE 3 -13.390 0.697 -7.140 17 HB2 PHE 3 HB3 PHE 3 -11.723 -0.902 -7.158 18 HB3 PHE 3 HB2 PHE 3 -10.752 0.514 -7.531 19 HD1 PHE 3 HD1 PHE 3 -10.855 -2.347 -5.595 20 HD2 PHE 3 HD2 PHE 3 -9.936 1.797 -5.306 21 HE1 PHE 3 HE1 PHE 3 -9.414 -2.803 -3.654 22 HE2 PHE 3 HE2 PHE 3 -8.494 1.346 -3.366 23 HZ PHE 3 HZ PHE 3 -8.293 -1.005 -2.509 24 H ILE 4 HN ILE 4 -13.848 -0.972 -5.381 25 HA ILE 4 HA ILE 4 -14.413 0.443 -2.937 26 HB ILE 4 HB ILE 4 -16.112 -1.042 -3.863 27 HG12 ILE 4 HG12 ILE 4 -15.773 -0.714 -1.314 28 HG13 ILE 4 HG11 ILE 4 -16.888 -1.954 -1.869 29 HG21 ILE 4 HG21 ILE 4 -14.741 -2.701 -4.938 30 HG22 ILE 4 HG22 ILE 4 -15.863 -3.483 -3.825 31 HG23 ILE 4 HG23 ILE 4 -14.169 -3.287 -3.376 32 HD11 ILE 4 HD11 ILE 4 -15.543 -2.742 -0.012 33 HD12 ILE 4 HD12 ILE 4 -14.067 -2.410 -0.918 34 HD13 ILE 4 HD13 ILE 4 -15.182 -3.657 -1.475 35 HA PRO 5 HA PRO 5 -10.396 -0.609 -1.272 36 HB2 PRO 5 HB3 PRO 5 -11.724 0.452 1.174 37 HB3 PRO 5 HB2 PRO 5 -10.165 0.880 0.464 38 HG2 PRO 5 HG3 PRO 5 -12.236 2.519 0.229 39 HG3 PRO 5 HG2 PRO 5 -11.118 2.273 -1.127 40 HD2 PRO 5 HD3 PRO 5 -13.854 1.158 -0.701 41 HD3 PRO 5 HD2 PRO 5 -13.095 1.740 -2.194 42 H ARG 6 HN ARG 6 -10.244 -2.744 -1.087 43 HA ARG 6 HA ARG 6 -11.977 -4.256 0.685 44 HB2 ARG 6 HB3 ARG 6 -9.755 -5.083 -1.200 45 HB3 ARG 6 HB2 ARG 6 -10.737 -6.208 -0.271 46 HG2 ARG 6 HG3 ARG 6 -12.688 -5.654 -1.477 47 HG3 ARG 6 HG2 ARG 6 -11.924 -4.239 -2.202 48 HD2 ARG 6 HD3 ARG 6 -12.095 -6.066 -3.804 49 HD3 ARG 6 HD2 ARG 6 -10.412 -5.685 -3.452 50 HE ARG 6 HE ARG 6 -10.714 -7.676 -1.791 51 HH11 ARG 6 HH11 ARG 6 -12.081 -7.388 -5.000 52 HH12 ARG 6 HH12 ARG 6 -12.033 -9.090 -5.316 53 HH21 ARG 6 HH21 ARG 6 -10.652 -9.926 -2.195 54 HH22 ARG 6 HH22 ARG 6 -11.224 -10.541 -3.716 55 HA PRO 7 HA PRO 7 -9.281 -4.783 4.208 56 HB2 PRO 7 HB3 PRO 7 -8.886 -7.626 3.369 57 HB3 PRO 7 HB2 PRO 7 -9.285 -6.970 4.962 58 HG2 PRO 7 HG3 PRO 7 -11.173 -8.092 3.473 59 HG3 PRO 7 HG2 PRO 7 -11.515 -6.624 4.406 60 HD2 PRO 7 HD3 PRO 7 -11.087 -6.951 1.479 61 HD3 PRO 7 HD2 PRO 7 -12.140 -5.817 2.346 62 H ILE 8 HN ILE 8 -7.218 -4.386 4.572 63 HA ILE 8 HA ILE 8 -5.327 -4.188 2.528 64 HB ILE 8 HB ILE 8 -4.944 -4.167 5.516 65 HG12 ILE 8 HG12 ILE 8 -4.467 -1.691 4.987 66 HG13 ILE 8 HG11 ILE 8 -5.241 -2.006 3.441 67 HG21 ILE 8 HG21 ILE 8 -2.725 -3.201 5.078 68 HG22 ILE 8 HG22 ILE 8 -2.961 -3.471 3.353 69 HG23 ILE 8 HG23 ILE 8 -2.867 -4.844 4.456 70 HD11 ILE 8 HD11 ILE 8 -7.301 -2.576 4.545 71 HD12 ILE 8 HD12 ILE 8 -6.745 -0.999 5.100 72 HD13 ILE 8 HD13 ILE 8 -6.532 -2.420 6.123 73 H ASP 9 HN ASP 9 -4.729 -5.958 1.448 74 HA ASP 9 HA ASP 9 -3.714 -8.265 2.890 75 HB2 ASP 9 HB3 ASP 9 -3.964 -7.625 -0.052 76 HB3 ASP 9 HB2 ASP 9 -3.074 -9.040 0.522 77 H THR 10 HN THR 10 -1.501 -9.018 2.388 78 HA THR 10 HA THR 10 0.393 -6.929 2.755 79 HB THR 10 HB THR 10 2.082 -8.774 2.586 80 HG1 THR 10 HG2 THR 10 0.237 -10.775 2.788 81 HG21 THR 10 HG21 THR 10 1.144 -8.138 4.733 82 HG22 THR 10 HG22 THR 10 1.357 -9.889 4.668 83 HG23 THR 10 HG23 THR 10 -0.247 -9.186 4.461 84 H CYS 11 HN CYS 11 2.554 -7.383 1.333 85 HA CYS 11 HA CYS 11 2.172 -6.186 -1.149 86 HB2 CYS 11 HB3 CYS 11 4.274 -6.334 0.279 87 HB3 CYS 11 HB2 CYS 11 4.506 -7.938 -0.397 88 H ARG 12 HN ARG 12 1.134 -9.202 -0.435 89 HA ARG 12 HA ARG 12 1.802 -10.662 -2.736 90 HB2 ARG 12 HB3 ARG 12 -0.158 -12.036 -2.266 91 HB3 ARG 12 HB2 ARG 12 0.894 -11.823 -0.885 92 HG2 ARG 12 HG3 ARG 12 -0.674 -10.188 0.035 93 HG3 ARG 12 HG2 ARG 12 -1.746 -10.476 -1.349 94 HD2 ARG 12 HD3 ARG 12 -1.907 -12.805 -0.800 95 HD3 ARG 12 HD2 ARG 12 -0.717 -12.609 0.477 96 HE ARG 12 HE ARG 12 -2.939 -10.938 0.976 97 HH11 ARG 12 HH11 ARG 12 -2.014 -14.314 1.006 98 HH12 ARG 12 HH12 ARG 12 -3.232 -14.770 2.151 99 HH21 ARG 12 HH21 ARG 12 -4.554 -11.538 2.472 100 HH22 ARG 12 HH22 ARG 12 -4.660 -13.190 3.008 101 H LEU 13 HN LEU 13 -0.701 -8.264 -2.102 102 HA LEU 13 HA LEU 13 -1.544 -8.416 -4.905 103 HB2 LEU 13 HB3 LEU 13 -2.629 -7.056 -2.462 104 HB3 LEU 13 HB2 LEU 13 -3.064 -6.459 -4.046 105 HG LEU 13 HG LEU 13 -4.800 -7.915 -3.178 106 HD11 LEU 13 HD11 LEU 13 -5.009 -9.454 -5.039 107 HD12 LEU 13 HD12 LEU 13 -3.302 -9.248 -5.426 108 HD13 LEU 13 HD13 LEU 13 -4.413 -7.889 -5.592 109 HD21 LEU 13 HD21 LEU 13 -2.698 -10.070 -3.106 110 HD22 LEU 13 HD22 LEU 13 -4.418 -10.283 -2.778 111 HD23 LEU 13 HD23 LEU 13 -3.432 -9.293 -1.702 112 H ARG 14 HN ARG 14 0.002 -7.448 -6.145 113 HA ARG 14 HA ARG 14 1.355 -5.131 -4.994 114 HB2 ARG 14 HB3 ARG 14 2.208 -7.590 -6.206 115 HB3 ARG 14 HB2 ARG 14 2.881 -6.212 -7.051 116 HG2 ARG 14 HG3 ARG 14 2.973 -6.423 -4.075 117 HG3 ARG 14 HG2 ARG 14 4.201 -7.187 -5.092 118 HD2 ARG 14 HD3 ARG 14 3.499 -4.291 -5.365 119 HD3 ARG 14 HD2 ARG 14 4.655 -4.839 -4.156 120 HE ARG 14 HE ARG 14 4.992 -4.964 -7.071 121 HH11 ARG 14 HH11 ARG 14 6.294 -5.438 -3.855 122 HH12 ARG 14 HH12 ARG 14 7.943 -5.499 -4.397 123 HH21 ARG 14 HH21 ARG 14 7.160 -5.021 -7.778 124 HH22 ARG 14 HH22 ARG 14 8.436 -5.252 -6.625 125 H ASN 15 HN ASN 15 2.733 -4.203 -7.046 126 HA ASN 15 HA ASN 15 2.741 -2.818 -8.814 127 HB2 ASN 15 HB3 ASN 15 0.457 -4.587 -9.597 128 HB3 ASN 15 HB2 ASN 15 0.753 -3.110 -10.508 129 HD21 ASN 15 HD21 ASN 15 1.897 -6.276 -9.741 130 HD22 ASN 15 HD22 ASN 15 3.164 -6.332 -10.916 131 H GLY 16 HN GLY 16 1.916 -1.698 -6.539 132 HA2 GLY 16 HA3 GLY 16 -0.192 0.102 -7.564 133 HA3 GLY 16 HA2 GLY 16 0.044 -0.230 -5.852 134 H ILE 17 HN ILE 17 2.572 0.166 -5.266 135 HA ILE 17 HA ILE 17 4.136 1.755 -7.050 136 HB ILE 17 HB ILE 17 3.289 3.071 -4.440 137 HG12 ILE 17 HG12 ILE 17 1.873 3.592 -6.430 138 HG13 ILE 17 HG11 ILE 17 2.706 4.997 -5.777 139 HG21 ILE 17 HG21 ILE 17 5.548 3.843 -6.282 140 HG22 ILE 17 HG22 ILE 17 5.713 3.165 -4.663 141 HG23 ILE 17 HG23 ILE 17 4.998 4.763 -4.882 142 HD11 ILE 17 HD11 ILE 17 2.742 5.009 -8.196 143 HD12 ILE 17 HD12 ILE 17 3.527 3.429 -8.210 144 HD13 ILE 17 HD13 ILE 17 4.374 4.830 -7.552 145 H CYS 18 HN CYS 18 6.379 1.469 -6.511 146 HA CYS 18 HA CYS 18 6.876 0.101 -3.949 147 HB2 CYS 18 HB3 CYS 18 7.643 -1.289 -5.755 148 HB3 CYS 18 HB2 CYS 18 8.493 0.055 -6.508 149 H PHE 19 HN PHE 19 7.348 1.613 -2.477 150 HA PHE 19 HA PHE 19 8.753 4.030 -3.305 151 HB2 PHE 19 HB3 PHE 19 7.074 3.281 -0.960 152 HB3 PHE 19 HB2 PHE 19 8.266 4.557 -0.750 153 HD1 PHE 19 HD1 PHE 19 5.006 3.731 -1.897 154 HD2 PHE 19 HD2 PHE 19 8.166 6.536 -2.352 155 HE1 PHE 19 HE1 PHE 19 3.426 5.341 -2.863 156 HE2 PHE 19 HE2 PHE 19 6.592 8.160 -3.318 157 HZ PHE 19 HZ PHE 19 4.216 7.567 -3.570 158 HA PRO 20 HA PRO 20 12.421 2.744 -1.071 159 HB2 PRO 20 HB3 PRO 20 14.048 4.628 -2.106 160 HB3 PRO 20 HB2 PRO 20 13.642 3.156 -2.998 161 HG2 PRO 20 HG3 PRO 20 12.610 5.926 -3.342 162 HG3 PRO 20 HG2 PRO 20 12.912 4.677 -4.562 163 HD2 PRO 20 HD3 PRO 20 10.425 5.333 -3.474 164 HD3 PRO 20 HD2 PRO 20 10.809 3.845 -4.357 165 H GLY 21 HN GLY 21 11.759 3.345 0.942 166 HA2 GLY 21 HA3 GLY 21 12.314 5.242 2.559 167 HA3 GLY 21 HA2 GLY 21 11.324 6.206 1.470 168 H ILE 22 HN ILE 22 9.488 6.628 2.585 169 HA ILE 22 HA ILE 22 8.060 4.306 3.698 170 HB ILE 22 HB ILE 22 7.153 5.842 5.470 171 HG12 ILE 22 HG12 ILE 22 9.498 7.578 4.666 172 HG13 ILE 22 HG11 ILE 22 7.815 7.954 4.315 173 HG21 ILE 22 HG21 ILE 22 8.830 4.160 5.952 174 HG22 ILE 22 HG22 ILE 22 9.112 5.611 6.914 175 HG23 ILE 22 HG23 ILE 22 10.113 5.283 5.500 176 HD11 ILE 22 HD11 ILE 22 8.625 9.192 6.241 177 HD12 ILE 22 HD12 ILE 22 9.018 7.679 7.058 178 HD13 ILE 22 HD13 ILE 22 7.338 8.076 6.697 179 H CYS 23 HN CYS 23 5.849 4.290 3.524 180 HA CYS 23 HA CYS 23 4.636 6.230 1.757 181 HB2 CYS 23 HB3 CYS 23 3.743 3.576 2.878 182 HB3 CYS 23 HB2 CYS 23 2.724 4.597 1.908 183 H ARG 24 HN ARG 24 3.020 7.601 2.405 184 HA ARG 24 HA ARG 24 2.046 7.373 5.142 185 HB2 ARG 24 HB3 ARG 24 2.477 9.956 5.275 186 HB3 ARG 24 HB2 ARG 24 3.751 8.809 5.667 187 HG2 ARG 24 HG3 ARG 24 4.585 9.047 3.323 188 HG3 ARG 24 HG2 ARG 24 3.407 10.343 3.101 189 HD2 ARG 24 HD3 ARG 24 4.444 11.680 4.771 190 HD3 ARG 24 HD2 ARG 24 5.467 10.342 5.290 191 HE ARG 24 HE ARG 24 5.795 11.211 2.537 192 HH11 ARG 24 HH11 ARG 24 6.913 11.404 5.844 193 HH12 ARG 24 HH12 ARG 24 8.495 11.965 5.411 194 HH21 ARG 24 HH21 ARG 24 7.883 11.939 1.960 195 HH22 ARG 24 HH22 ARG 24 9.045 12.284 3.201 196 H ARG 25 HN ARG 25 1.773 9.119 2.028 197 HA ARG 25 HA ARG 25 -0.881 8.453 1.699 198 HB2 ARG 25 HB3 ARG 25 -0.591 10.822 3.371 199 HB3 ARG 25 HB2 ARG 25 -1.560 11.120 1.933 200 HG2 ARG 25 HG3 ARG 25 -2.954 9.161 2.518 201 HG3 ARG 25 HG2 ARG 25 -2.028 8.989 4.007 202 HD2 ARG 25 HD3 ARG 25 -2.716 11.291 4.625 203 HD3 ARG 25 HD2 ARG 25 -3.748 11.321 3.195 204 HE ARG 25 HE ARG 25 -4.100 9.221 5.219 205 HH11 ARG 25 HH11 ARG 25 -5.352 12.013 3.510 206 HH12 ARG 25 HH12 ARG 25 -6.979 11.770 4.055 207 HH21 ARG 25 HH21 ARG 25 -6.244 8.908 5.938 208 HH22 ARG 25 HH22 ARG 25 -7.489 10.002 5.421 209 HA PRO 26 HA PRO 26 -2.407 8.635 0.642 210 HB2 PRO 26 HB3 PRO 26 -3.268 8.344 -2.082 211 HB3 PRO 26 HB2 PRO 26 -4.024 9.310 -0.811 212 HG2 PRO 26 HG3 PRO 26 -2.842 10.380 -3.040 213 HG3 PRO 26 HG2 PRO 26 -2.981 11.232 -1.488 214 HD2 PRO 26 HD3 PRO 26 -0.634 9.734 -2.619 215 HD3 PRO 26 HD2 PRO 26 -0.672 11.314 -1.797 216 H TYR 27 HN TYR 27 -1.257 6.785 1.131 217 HA TYR 27 HA TYR 27 -1.122 4.692 -0.819 218 HB2 TYR 27 HB3 TYR 27 1.474 5.756 0.328 219 HB3 TYR 27 HB2 TYR 27 1.314 4.275 -0.600 220 HD1 TYR 27 HD1 TYR 27 0.702 4.403 -3.014 221 HD2 TYR 27 HD2 TYR 27 1.665 7.870 -0.742 222 HE1 TYR 27 HE1 TYR 27 1.147 5.630 -5.092 223 HE2 TYR 27 HE2 TYR 27 2.111 9.105 -2.822 224 HH TYR 27 HH TYR 27 2.814 8.451 -5.237 225 H TYR 28 HN TYR 28 -1.159 2.768 0.176 226 HA TYR 28 HA TYR 28 -0.871 2.818 3.092 227 HB2 TYR 28 HB3 TYR 28 -2.461 0.908 3.151 228 HB3 TYR 28 HB2 TYR 28 -3.173 2.382 2.516 229 HD1 TYR 28 HD1 TYR 28 -2.353 -1.067 1.870 230 HD2 TYR 28 HD2 TYR 28 -3.609 2.572 0.033 231 HE1 TYR 28 HE1 TYR 28 -3.133 -2.324 -0.089 232 HE2 TYR 28 HE2 TYR 28 -4.388 1.311 -1.925 233 HH TYR 28 HH TYR 28 -4.084 -0.789 -3.021 234 H TRP 29 HN TRP 29 0.601 1.565 3.968 235 HA TRP 29 HA TRP 29 2.496 0.296 2.256 236 HB2 TRP 29 HB3 TRP 29 3.202 1.522 4.244 237 HB3 TRP 29 HB2 TRP 29 2.307 0.421 5.271 238 HD1 TRP 29 HD1 TRP 29 5.540 0.663 3.243 239 HE1 TRP 29 HE1 TRP 29 7.098 -1.247 3.951 240 HE3 TRP 29 HE3 TRP 29 2.318 -1.931 6.218 241 HZ2 TRP 29 HZ2 TRP 29 6.980 -3.559 5.563 242 HZ3 TRP 29 HZ3 TRP 29 3.113 -3.992 7.308 243 HH2 TRP 29 HH2 TRP 29 5.398 -4.788 6.978 244 H ILE 30 HN ILE 30 2.304 -1.661 1.459 245 HA ILE 30 HA ILE 30 1.105 -3.756 3.135 246 HB ILE 30 HB ILE 30 0.437 -4.897 1.008 247 HG12 ILE 30 HG12 ILE 30 1.038 -2.206 -0.258 248 HG13 ILE 30 HG11 ILE 30 1.985 -3.666 -0.516 249 HG21 ILE 30 HG21 ILE 30 -0.743 -2.163 1.459 250 HG22 ILE 30 HG22 ILE 30 -1.138 -3.620 2.371 251 HG23 ILE 30 HG23 ILE 30 -1.536 -3.518 0.655 252 HD11 ILE 30 HD11 ILE 30 -0.881 -3.214 -1.297 253 HD12 ILE 30 HD12 ILE 30 -0.008 -4.737 -1.487 254 HD13 ILE 30 HD13 ILE 30 0.516 -3.304 -2.375 255 H GLY 31 HN GLY 31 2.988 -4.542 3.978 256 HA2 GLY 31 HA3 GLY 31 4.918 -5.780 4.079 257 HA3 GLY 31 HA2 GLY 31 4.552 -6.334 2.459 258 H THR 32 HN THR 32 7.001 -6.249 2.366 259 HA THR 32 HA THR 32 7.974 -3.491 2.082 260 HB THR 32 HB THR 32 10.264 -4.526 2.389 261 HG1 THR 32 HG2 THR 32 9.582 -6.632 3.807 262 HG21 THR 32 HG21 THR 32 8.337 -4.830 4.692 263 HG22 THR 32 HG22 THR 32 9.034 -3.301 4.160 264 HG23 THR 32 HG23 THR 32 10.078 -4.571 4.799 265 H CYS 33 HN CYS 33 9.236 -2.869 0.411 266 HA CYS 33 HA CYS 33 9.520 -4.697 -1.879 267 HB2 CYS 33 HB3 CYS 33 7.980 -2.684 -2.179 268 HB3 CYS 33 HB2 CYS 33 9.402 -1.670 -1.983 269 H ASN 34 HN ASN 34 11.464 -3.467 -3.321 270 HA ASN 34 HA ASN 34 13.693 -3.100 -3.459 271 HB2 ASN 34 HB3 ASN 34 13.136 -1.809 -0.800 272 HB3 ASN 34 HB2 ASN 34 14.766 -1.873 -1.441 273 HD21 ASN 34 HD21 ASN 34 13.022 0.415 -0.902 274 HD22 ASN 34 HD22 ASN 34 12.898 1.266 -2.392 275 H ASN 35 HN ASN 35 14.169 -3.477 -0.012 276 HA ASN 35 HA ASN 35 14.598 -6.247 0.101 277 HB2 ASN 35 HB3 ASN 35 16.413 -5.787 -1.516 278 HB3 ASN 35 HB2 ASN 35 17.133 -4.655 -0.376 279 HD21 ASN 35 HD21 ASN 35 19.035 -5.767 -0.201 280 HD22 ASN 35 HD22 ASN 35 19.168 -7.294 0.602 281 H GLY 36 HN GLY 36 13.554 -5.721 2.090 282 HA2 GLY 36 HA3 GLY 36 13.945 -5.871 4.430 283 HA3 GLY 36 HA2 GLY 36 15.486 -5.048 4.198 284 H ILE 37 HN ILE 37 15.167 -2.831 3.132 285 HA ILE 37 HA ILE 37 13.176 -1.261 4.491 286 HB ILE 37 HB ILE 37 14.096 0.359 2.494 287 HG12 ILE 37 HG12 ILE 37 16.607 0.025 2.508 288 HG13 ILE 37 HG11 ILE 37 16.306 -1.589 3.138 289 HG21 ILE 37 HG21 ILE 37 13.996 0.953 4.823 290 HG22 ILE 37 HG22 ILE 37 15.606 1.306 4.197 291 HG23 ILE 37 HG23 ILE 37 15.339 -0.126 5.189 292 HD11 ILE 37 HD11 ILE 37 15.337 -0.511 0.501 293 HD12 ILE 37 HD12 ILE 37 15.036 -2.132 1.127 294 HD13 ILE 37 HD13 ILE 37 16.680 -1.627 0.743 295 H GLY 38 HN GLY 38 12.597 0.403 2.042 296 HA2 GLY 38 HA3 GLY 38 11.372 0.362 0.102 297 HA3 GLY 38 HA2 GLY 38 11.505 -1.389 0.099 298 H SER 39 HN SER 39 9.499 1.202 0.497 299 HA SER 39 HA SER 39 7.540 -0.248 2.072 300 HB2 SER 39 HB3 SER 39 7.702 2.532 0.937 301 HB3 SER 39 HB2 SER 39 6.210 1.911 1.655 302 HG SER 39 HG SER 39 8.598 2.677 2.843 303 H CYS 40 HN CYS 40 6.805 -1.906 0.851 304 HA CYS 40 HA CYS 40 5.929 -1.560 -1.870 305 HB2 CYS 40 HB3 CYS 40 6.647 -3.786 -1.128 306 HB3 CYS 40 HB2 CYS 40 5.431 -3.784 0.141 307 H CYS 41 HN CYS 41 4.312 -0.105 -2.091 308 HA CYS 41 HA CYS 41 1.955 -0.506 -0.387 309 HB2 CYS 41 HB3 CYS 41 2.941 2.157 -1.407 310 HB3 CYS 41 HB2 CYS 41 1.645 1.865 -0.250 311 H ALA 42 HN ALA 42 0.041 0.763 -1.425 312 HA ALA 42 HA ALA 42 0.248 0.722 -4.336 313 HB1 ALA 42 HB1 ALA 42 -1.959 -0.308 -4.524 314 HB2 ALA 42 HB2 ALA 42 -2.057 -0.431 -2.768 315 HB3 ALA 42 HB3 ALA 42 -0.843 -1.362 -3.654 316 H ARG 43 HN ARG 43 -0.851 2.285 -5.409 317 HA ARG 43 HA ARG 43 -1.111 4.694 -4.002 318 HB2 ARG 43 HB3 ARG 43 -0.521 4.541 -6.400 319 HB3 ARG 43 HB2 ARG 43 -2.174 4.056 -6.754 320 HG2 ARG 43 HG3 ARG 43 -2.927 6.220 -5.738 321 HG3 ARG 43 HG2 ARG 43 -1.228 6.695 -5.674 322 HD2 ARG 43 HD3 ARG 43 -1.064 6.404 -8.098 323 HD3 ARG 43 HD2 ARG 43 -2.764 5.939 -8.147 324 HE ARG 43 HE ARG 43 -2.442 8.472 -6.913 325 HH11 ARG 43 HH11 ARG 43 -2.414 6.921 -10.052 326 HH12 ARG 43 HH12 ARG 43 -2.933 8.343 -10.897 327 HH21 ARG 43 HH21 ARG 43 -3.110 10.347 -8.026 328 HH22 ARG 43 HH22 ARG 43 -3.330 10.293 -9.744 329 H GLY 44 HN GLY 44 -2.613 5.145 -2.615 330 HA2 GLY 44 HA3 GLY 44 -5.024 5.975 -2.775 331 HA3 GLY 44 HA2 GLY 44 -5.375 4.302 -3.153 332 H TRP 45 HN TRP 45 -6.742 4.148 -1.366 333 HA TRP 45 HA TRP 45 -5.275 3.596 1.078 334 HB2 TRP 45 HB3 TRP 45 -6.269 5.998 1.073 335 HB3 TRP 45 HB2 TRP 45 -7.816 5.179 1.291 336 HD1 TRP 45 HD1 TRP 45 -8.428 4.537 3.731 337 HE1 TRP 45 HE1 TRP 45 -7.145 4.470 5.964 338 HE3 TRP 45 HE3 TRP 45 -3.751 5.552 1.977 339 HZ2 TRP 45 HZ2 TRP 45 -4.482 4.812 6.855 340 HZ3 TRP 45 HZ3 TRP 45 -1.884 5.663 3.584 341 HH2 TRP 45 HH2 TRP 45 -2.246 5.299 5.971 342 H ARG 46 HN ARG 46 -5.781 1.615 1.593 343 HA ARG 46 HA ARG 46 -8.322 0.469 0.836 344 HB2 ARG 46 HB3 ARG 46 -5.674 -0.455 1.321 345 HB3 ARG 46 HB2 ARG 46 -6.758 -1.274 2.437 346 HG2 ARG 46 HG3 ARG 46 -8.098 -2.099 0.641 347 HG3 ARG 46 HG2 ARG 46 -7.182 -1.149 -0.535 348 HD2 ARG 46 HD3 ARG 46 -5.301 -2.495 -0.333 349 HD3 ARG 46 HD2 ARG 46 -5.809 -3.118 1.234 350 HE ARG 46 HE ARG 46 -7.424 -4.472 0.112 351 HH11 ARG 46 HH11 ARG 46 -5.098 -2.933 -2.024 352 HH12 ARG 46 HH12 ARG 46 -5.253 -4.148 -3.257 353 HH21 ARG 46 HH21 ARG 46 -7.602 -6.075 -1.524 354 HH22 ARG 46 HH22 ARG 46 -6.665 -5.914 -2.977 355 H SER 47 HN SER 47 -10.001 0.306 2.170 356 HA SER 47 HA SER 47 -11.333 0.441 3.984 357 HB2 SER 47 HB3 SER 47 -8.862 -0.401 5.519 358 HB3 SER 47 HB2 SER 47 -10.533 -0.533 6.071 359 HG SER 47 HG SER 47 -10.918 -2.034 4.442 Start of MODEL 6 1 H PCA 1 HT2 PCA 1 -12.512 7.253 -1.385 2 HA PCA 1 HA PCA 1 -11.966 5.194 -1.506 3 HB2 PCA 1 HB2 PCA 1 -13.456 3.678 -0.730 4 HB3 PCA 1 HB3 PCA 1 -14.501 3.900 -2.141 5 HG2 PCA 1 HG2 PCA 1 -14.706 5.139 0.502 6 HG3 PCA 1 HG3 PCA 1 -15.877 5.175 -0.847 7 HT1 PCA 1 HT1 PCA 1 -13.556 7.159 -2.661 8 HA PRO 2 HA PRO 2 -11.868 5.275 -6.020 9 HB2 PRO 2 HB3 PRO 2 -9.351 3.898 -5.906 10 HB3 PRO 2 HB2 PRO 2 -9.639 5.602 -6.272 11 HG2 PRO 2 HG3 PRO 2 -8.357 4.676 -4.011 12 HG3 PRO 2 HG2 PRO 2 -9.144 6.257 -4.147 13 HD2 PRO 2 HD3 PRO 2 -10.145 3.736 -2.890 14 HD3 PRO 2 HD2 PRO 2 -10.338 5.423 -2.355 15 H PHE 3 HN PHE 3 -11.801 2.767 -3.803 16 HA PHE 3 HA PHE 3 -12.852 0.873 -5.710 17 HB2 PHE 3 HB3 PHE 3 -11.295 -0.838 -5.314 18 HB3 PHE 3 HB2 PHE 3 -10.258 0.584 -5.372 19 HD1 PHE 3 HD1 PHE 3 -11.060 -2.296 -3.550 20 HD2 PHE 3 HD2 PHE 3 -9.884 1.762 -3.060 21 HE1 PHE 3 HE1 PHE 3 -10.151 -2.832 -1.331 22 HE2 PHE 3 HE2 PHE 3 -8.978 1.234 -0.840 23 HZ PHE 3 HZ PHE 3 -9.305 -1.057 0.095 24 H ILE 4 HN ILE 4 -13.817 -1.020 -4.408 25 HA ILE 4 HA ILE 4 -15.122 0.094 -2.094 26 HB ILE 4 HB ILE 4 -16.498 -1.175 -3.601 27 HG12 ILE 4 HG12 ILE 4 -17.439 -2.891 -2.030 28 HG13 ILE 4 HG11 ILE 4 -16.067 -2.590 -0.970 29 HG21 ILE 4 HG21 ILE 4 -16.202 -3.623 -3.883 30 HG22 ILE 4 HG22 ILE 4 -14.639 -3.482 -3.078 31 HG23 ILE 4 HG23 ILE 4 -14.922 -2.657 -4.610 32 HD11 ILE 4 HD11 ILE 4 -16.763 -0.266 -0.732 33 HD12 ILE 4 HD12 ILE 4 -18.033 -1.380 -0.234 34 HD13 ILE 4 HD13 ILE 4 -18.134 -0.569 -1.797 35 HA PRO 5 HA PRO 5 -11.849 -1.009 0.796 36 HB2 PRO 5 HB3 PRO 5 -13.933 -1.215 2.788 37 HB3 PRO 5 HB2 PRO 5 -12.681 0.014 2.617 38 HG2 PRO 5 HG3 PRO 5 -15.479 0.049 1.705 39 HG3 PRO 5 HG2 PRO 5 -14.381 1.404 2.018 40 HD2 PRO 5 HD3 PRO 5 -15.100 0.759 -0.467 41 HD3 PRO 5 HD2 PRO 5 -13.447 1.296 -0.105 42 H ARG 6 HN ARG 6 -11.126 -2.973 0.473 43 HA ARG 6 HA ARG 6 -12.709 -5.306 1.255 44 HB2 ARG 6 HB3 ARG 6 -10.249 -4.872 -0.393 45 HB3 ARG 6 HB2 ARG 6 -10.509 -6.435 0.354 46 HG2 ARG 6 HG3 ARG 6 -12.689 -6.573 -0.818 47 HG3 ARG 6 HG2 ARG 6 -12.286 -5.067 -1.648 48 HD2 ARG 6 HD3 ARG 6 -11.753 -7.070 -2.994 49 HD3 ARG 6 HD2 ARG 6 -10.336 -6.086 -2.645 50 HE ARG 6 HE ARG 6 -10.947 -8.731 -1.548 51 HH11 ARG 6 HH11 ARG 6 -8.768 -6.005 -1.777 52 HH12 ARG 6 HH12 ARG 6 -7.453 -6.820 -0.977 53 HH21 ARG 6 HH21 ARG 6 -9.191 -9.822 -0.535 54 HH22 ARG 6 HH22 ARG 6 -7.685 -8.983 -0.292 55 HA PRO 7 HA PRO 7 -10.163 -6.224 4.912 56 HB2 PRO 7 HB3 PRO 7 -9.202 -8.641 3.446 57 HB3 PRO 7 HB2 PRO 7 -9.851 -8.505 5.085 58 HG2 PRO 7 HG3 PRO 7 -11.347 -9.510 3.141 59 HG3 PRO 7 HG2 PRO 7 -12.055 -8.415 4.342 60 HD2 PRO 7 HD3 PRO 7 -11.266 -7.869 1.514 61 HD3 PRO 7 HD2 PRO 7 -12.656 -7.259 2.436 62 H ILE 8 HN ILE 8 -8.127 -5.758 5.527 63 HA ILE 8 HA ILE 8 -6.339 -4.571 3.729 64 HB ILE 8 HB ILE 8 -5.987 -5.498 6.574 65 HG12 ILE 8 HG12 ILE 8 -5.840 -2.982 6.939 66 HG13 ILE 8 HG11 ILE 8 -6.385 -2.800 5.279 67 HG21 ILE 8 HG21 ILE 8 -3.804 -5.603 5.531 68 HG22 ILE 8 HG22 ILE 8 -3.882 -4.227 6.632 69 HG23 ILE 8 HG23 ILE 8 -4.005 -3.973 4.891 70 HD11 ILE 8 HD11 ILE 8 -8.214 -2.545 6.851 71 HD12 ILE 8 HD12 ILE 8 -7.905 -4.159 7.490 72 HD13 ILE 8 HD13 ILE 8 -8.455 -3.959 5.826 73 H ASP 9 HN ASP 9 -4.750 -5.361 2.498 74 HA ASP 9 HA ASP 9 -4.063 -8.208 2.788 75 HB2 ASP 9 HB3 ASP 9 -3.744 -6.493 0.313 76 HB3 ASP 9 HB2 ASP 9 -3.473 -8.230 0.429 77 H THR 10 HN THR 10 -1.864 -8.774 2.189 78 HA THR 10 HA THR 10 0.097 -6.810 3.032 79 HB THR 10 HB THR 10 1.719 -8.675 2.842 80 HG1 THR 10 HG2 THR 10 1.184 -10.452 1.830 81 HG21 THR 10 HG21 THR 10 0.568 -8.308 4.951 82 HG22 THR 10 HG22 THR 10 0.812 -10.034 4.682 83 HG23 THR 10 HG23 THR 10 -0.776 -9.314 4.412 84 H CYS 11 HN CYS 11 2.280 -7.238 1.567 85 HA CYS 11 HA CYS 11 1.945 -5.841 -0.809 86 HB2 CYS 11 HB3 CYS 11 4.069 -6.145 0.486 87 HB3 CYS 11 HB2 CYS 11 4.182 -7.771 -0.165 88 H ARG 12 HN ARG 12 0.888 -8.934 -0.265 89 HA ARG 12 HA ARG 12 1.390 -10.390 -2.533 90 HB2 ARG 12 HB3 ARG 12 -0.858 -11.410 -2.178 91 HB3 ARG 12 HB2 ARG 12 0.207 -11.420 -0.785 92 HG2 ARG 12 HG3 ARG 12 -1.054 -9.257 -0.131 93 HG3 ARG 12 HG2 ARG 12 -2.279 -9.857 -1.257 94 HD2 ARG 12 HD3 ARG 12 -1.088 -11.456 0.974 95 HD3 ARG 12 HD2 ARG 12 -2.616 -10.581 1.107 96 HE ARG 12 HE ARG 12 -3.155 -12.088 -0.977 97 HH11 ARG 12 HH11 ARG 12 -1.437 -12.979 1.941 98 HH12 ARG 12 HH12 ARG 12 -1.936 -14.638 1.879 99 HH21 ARG 12 HH21 ARG 12 -3.812 -14.275 -1.062 100 HH22 ARG 12 HH22 ARG 12 -3.293 -15.375 0.173 101 H LEU 13 HN LEU 13 -1.069 -7.837 -2.114 102 HA LEU 13 HA LEU 13 -1.627 -7.893 -4.974 103 HB2 LEU 13 HB3 LEU 13 -2.647 -6.248 -2.671 104 HB3 LEU 13 HB2 LEU 13 -2.918 -5.728 -4.321 105 HG LEU 13 HG LEU 13 -4.099 -7.884 -4.751 106 HD11 LEU 13 HD11 LEU 13 -4.852 -9.190 -2.814 107 HD12 LEU 13 HD12 LEU 13 -3.790 -8.234 -1.778 108 HD13 LEU 13 HD13 LEU 13 -3.104 -9.258 -3.040 109 HD21 LEU 13 HD21 LEU 13 -5.199 -6.189 -2.515 110 HD22 LEU 13 HD22 LEU 13 -6.136 -7.263 -3.554 111 HD23 LEU 13 HD23 LEU 13 -5.332 -5.851 -4.240 112 H ARG 14 HN ARG 14 0.133 -7.229 -6.092 113 HA ARG 14 HA ARG 14 1.866 -5.278 -4.832 114 HB2 ARG 14 HB3 ARG 14 2.695 -7.536 -5.391 115 HB3 ARG 14 HB2 ARG 14 2.343 -7.227 -7.086 116 HG2 ARG 14 HG3 ARG 14 4.601 -6.829 -6.891 117 HG3 ARG 14 HG2 ARG 14 3.857 -5.230 -6.850 118 HD2 ARG 14 HD3 ARG 14 4.070 -5.116 -4.466 119 HD3 ARG 14 HD2 ARG 14 4.647 -6.780 -4.397 120 HE ARG 14 HE ARG 14 6.164 -4.605 -5.697 121 HH11 ARG 14 HH11 ARG 14 6.005 -7.465 -3.681 122 HH12 ARG 14 HH12 ARG 14 7.717 -7.543 -3.432 123 HH21 ARG 14 HH21 ARG 14 8.425 -4.709 -5.369 124 HH22 ARG 14 HH22 ARG 14 9.094 -5.978 -4.397 125 H ASN 15 HN ASN 15 3.114 -3.884 -6.332 126 HA ASN 15 HA ASN 15 3.495 -2.540 -8.102 127 HB2 ASN 15 HB3 ASN 15 2.821 -4.624 -9.426 128 HB3 ASN 15 HB2 ASN 15 1.245 -3.867 -9.584 129 HD21 ASN 15 HD21 ASN 15 3.166 -4.582 -11.624 130 HD22 ASN 15 HD22 ASN 15 3.539 -3.130 -12.478 131 H GLY 16 HN GLY 16 2.215 -1.426 -6.124 132 HA2 GLY 16 HA3 GLY 16 0.184 0.184 -7.537 133 HA3 GLY 16 HA2 GLY 16 0.215 -0.034 -5.791 134 H ILE 17 HN ILE 17 2.623 0.564 -4.915 135 HA ILE 17 HA ILE 17 4.370 1.818 -6.727 136 HB ILE 17 HB ILE 17 2.993 3.694 -4.839 137 HG12 ILE 17 HG12 ILE 17 4.140 3.835 -7.635 138 HG13 ILE 17 HG11 ILE 17 2.451 3.942 -7.155 139 HG21 ILE 17 HG21 ILE 17 5.888 3.953 -5.642 140 HG22 ILE 17 HG22 ILE 17 5.288 3.660 -4.011 141 HG23 ILE 17 HG23 ILE 17 4.933 5.187 -4.822 142 HD11 ILE 17 HD11 ILE 17 2.930 6.104 -6.078 143 HD12 ILE 17 HD12 ILE 17 3.261 6.105 -7.810 144 HD13 ILE 17 HD13 ILE 17 4.591 5.995 -6.657 145 H CYS 18 HN CYS 18 6.421 1.328 -6.097 146 HA CYS 18 HA CYS 18 6.824 0.518 -3.308 147 HB2 CYS 18 HB3 CYS 18 8.368 0.096 -5.841 148 HB3 CYS 18 HB2 CYS 18 9.199 -0.013 -4.294 149 H PHE 19 HN PHE 19 7.329 2.110 -1.946 150 HA PHE 19 HA PHE 19 8.890 4.386 -2.916 151 HB2 PHE 19 HB3 PHE 19 7.278 3.872 -0.434 152 HB3 PHE 19 HB2 PHE 19 8.458 5.167 -0.469 153 HD1 PHE 19 HD1 PHE 19 5.167 4.101 -1.385 154 HD2 PHE 19 HD2 PHE 19 8.168 7.023 -2.114 155 HE1 PHE 19 HE1 PHE 19 3.477 5.582 -2.393 156 HE2 PHE 19 HE2 PHE 19 6.489 8.513 -3.117 157 HZ PHE 19 HZ PHE 19 4.137 7.796 -3.253 158 HA PRO 20 HA PRO 20 12.374 2.729 -0.593 159 HB2 PRO 20 HB3 PRO 20 14.215 4.470 -1.522 160 HB3 PRO 20 HB2 PRO 20 13.704 3.062 -2.461 161 HG2 PRO 20 HG3 PRO 20 12.948 5.927 -2.770 162 HG3 PRO 20 HG2 PRO 20 13.185 4.686 -4.011 163 HD2 PRO 20 HD3 PRO 20 10.724 5.538 -3.026 164 HD3 PRO 20 HD2 PRO 20 11.011 4.020 -3.898 165 H GLY 21 HN GLY 21 11.691 3.342 1.420 166 HA2 GLY 21 HA3 GLY 21 12.370 5.154 3.107 167 HA3 GLY 21 HA2 GLY 21 11.503 6.224 2.010 168 H ILE 22 HN ILE 22 9.411 6.579 2.468 169 HA ILE 22 HA ILE 22 7.842 4.456 3.731 170 HB ILE 22 HB ILE 22 6.814 6.112 5.302 171 HG12 ILE 22 HG12 ILE 22 9.233 7.786 4.597 172 HG13 ILE 22 HG11 ILE 22 7.575 8.155 4.134 173 HG21 ILE 22 HG21 ILE 22 9.737 5.496 5.666 174 HG22 ILE 22 HG22 ILE 22 8.374 4.478 6.126 175 HG23 ILE 22 HG23 ILE 22 8.645 6.013 6.950 176 HD11 ILE 22 HD11 ILE 22 8.268 9.479 6.044 177 HD12 ILE 22 HD12 ILE 22 8.635 8.008 6.947 178 HD13 ILE 22 HD13 ILE 22 6.970 8.371 6.491 179 H CYS 23 HN CYS 23 5.588 4.692 3.530 180 HA CYS 23 HA CYS 23 4.659 6.606 1.487 181 HB2 CYS 23 HB3 CYS 23 3.081 4.264 2.539 182 HB3 CYS 23 HB2 CYS 23 2.882 5.095 1.023 183 H ARG 24 HN ARG 24 3.271 8.242 2.166 184 HA ARG 24 HA ARG 24 2.049 7.793 4.811 185 HB2 ARG 24 HB3 ARG 24 1.984 10.307 4.999 186 HB3 ARG 24 HB2 ARG 24 3.584 9.583 5.051 187 HG2 ARG 24 HG3 ARG 24 3.914 10.166 2.690 188 HG3 ARG 24 HG2 ARG 24 2.323 10.930 2.672 189 HD2 ARG 24 HD3 ARG 24 4.658 11.731 4.406 190 HD3 ARG 24 HD2 ARG 24 4.102 12.580 2.965 191 HE ARG 24 HE ARG 24 2.092 12.259 5.015 192 HH11 ARG 24 HH11 ARG 24 4.682 14.270 3.796 193 HH12 ARG 24 HH12 ARG 24 4.078 15.715 4.539 194 HH21 ARG 24 HH21 ARG 24 1.286 14.155 5.987 195 HH22 ARG 24 HH22 ARG 24 2.136 15.653 5.779 196 H ARG 25 HN ARG 25 1.532 9.356 1.638 197 HA ARG 25 HA ARG 25 -0.772 7.998 1.143 198 HB2 ARG 25 HB3 ARG 25 -2.546 9.768 1.336 199 HB3 ARG 25 HB2 ARG 25 -1.986 9.111 2.863 200 HG2 ARG 25 HG3 ARG 25 -0.483 11.458 2.134 201 HG3 ARG 25 HG2 ARG 25 -2.219 11.783 2.162 202 HD2 ARG 25 HD3 ARG 25 -0.551 10.587 4.361 203 HD3 ARG 25 HD2 ARG 25 -1.321 12.176 4.360 204 HE ARG 25 HE ARG 25 -3.152 9.965 4.021 205 HH11 ARG 25 HH11 ARG 25 -1.481 11.974 6.361 206 HH12 ARG 25 HH12 ARG 25 -2.650 11.708 7.614 207 HH21 ARG 25 HH21 ARG 25 -4.680 9.596 5.680 208 HH22 ARG 25 HH22 ARG 25 -4.468 10.349 7.227 209 HA PRO 26 HA PRO 26 -2.643 8.332 0.106 210 HB2 PRO 26 HB3 PRO 26 -3.434 7.960 -2.622 211 HB3 PRO 26 HB2 PRO 26 -4.237 8.947 -1.397 212 HG2 PRO 26 HG3 PRO 26 -3.006 9.951 -3.646 213 HG3 PRO 26 HG2 PRO 26 -3.264 10.872 -2.150 214 HD2 PRO 26 HD3 PRO 26 -0.794 9.473 -3.114 215 HD3 PRO 26 HD2 PRO 26 -0.956 11.051 -2.308 216 H TYR 27 HN TYR 27 -1.458 6.566 0.671 217 HA TYR 27 HA TYR 27 -1.200 4.400 -1.171 218 HB2 TYR 27 HB3 TYR 27 1.353 5.491 0.035 219 HB3 TYR 27 HB2 TYR 27 1.208 4.078 -0.995 220 HD1 TYR 27 HD1 TYR 27 0.792 4.348 -3.411 221 HD2 TYR 27 HD2 TYR 27 1.436 7.696 -0.872 222 HE1 TYR 27 HE1 TYR 27 1.164 5.772 -5.379 223 HE2 TYR 27 HE2 TYR 27 1.811 9.124 -2.832 224 HH TYR 27 HH TYR 27 2.436 8.955 -5.133 225 H TYR 28 HN TYR 28 -1.353 2.566 -0.019 226 HA TYR 28 HA TYR 28 -1.021 2.835 2.879 227 HB2 TYR 28 HB3 TYR 28 -2.492 0.806 3.040 228 HB3 TYR 28 HB2 TYR 28 -3.283 2.249 2.424 229 HD1 TYR 28 HD1 TYR 28 -2.542 -1.197 1.837 230 HD2 TYR 28 HD2 TYR 28 -3.613 2.427 -0.121 231 HE1 TYR 28 HE1 TYR 28 -3.343 -2.481 -0.097 232 HE2 TYR 28 HE2 TYR 28 -4.412 1.148 -2.061 233 HH TYR 28 HH TYR 28 -4.011 -1.107 -3.087 234 H TRP 29 HN TRP 29 0.522 1.805 3.824 235 HA TRP 29 HA TRP 29 2.483 0.354 2.455 236 HB2 TRP 29 HB3 TRP 29 2.898 1.600 4.544 237 HB3 TRP 29 HB2 TRP 29 1.908 0.455 5.427 238 HD1 TRP 29 HD1 TRP 29 5.371 0.838 3.871 239 HE1 TRP 29 HE1 TRP 29 6.864 -1.077 4.698 240 HE3 TRP 29 HE3 TRP 29 1.835 -1.960 6.237 241 HZ2 TRP 29 HZ2 TRP 29 6.580 -3.478 6.155 242 HZ3 TRP 29 HZ3 TRP 29 2.518 -4.064 7.322 243 HH2 TRP 29 HH2 TRP 29 4.846 -4.805 7.275 244 H ILE 30 HN ILE 30 2.249 -1.553 1.608 245 HA ILE 30 HA ILE 30 1.012 -3.686 3.211 246 HB ILE 30 HB ILE 30 0.575 -4.836 0.996 247 HG12 ILE 30 HG12 ILE 30 0.971 -2.057 -0.149 248 HG13 ILE 30 HG11 ILE 30 2.124 -3.371 -0.343 249 HG21 ILE 30 HG21 ILE 30 -1.179 -3.738 2.317 250 HG22 ILE 30 HG22 ILE 30 -1.490 -3.638 0.584 251 HG23 ILE 30 HG23 ILE 30 -0.868 -2.233 1.449 252 HD11 ILE 30 HD11 ILE 30 0.827 -3.199 -2.321 253 HD12 ILE 30 HD12 ILE 30 -0.681 -3.227 -1.401 254 HD13 ILE 30 HD13 ILE 30 0.335 -4.669 -1.477 255 H GLY 31 HN GLY 31 2.901 -4.432 4.141 256 HA2 GLY 31 HA3 GLY 31 4.851 -5.640 4.297 257 HA3 GLY 31 HA2 GLY 31 4.541 -6.181 2.660 258 H THR 32 HN THR 32 6.882 -6.096 2.358 259 HA THR 32 HA THR 32 7.906 -3.345 2.150 260 HB THR 32 HB THR 32 10.194 -4.412 2.443 261 HG1 THR 32 HG2 THR 32 9.143 -6.476 3.910 262 HG21 THR 32 HG21 THR 32 9.076 -3.089 4.178 263 HG22 THR 32 HG22 THR 32 10.006 -4.413 4.876 264 HG23 THR 32 HG23 THR 32 8.252 -4.538 4.751 265 H CYS 33 HN CYS 33 9.893 -3.233 0.719 266 HA CYS 33 HA CYS 33 9.643 -4.772 -1.750 267 HB2 CYS 33 HB3 CYS 33 8.088 -2.765 -1.865 268 HB3 CYS 33 HB2 CYS 33 9.516 -1.743 -1.751 269 H ASN 34 HN ASN 34 11.390 -3.457 -3.338 270 HA ASN 34 HA ASN 34 13.580 -3.055 -3.757 271 HB2 ASN 34 HB3 ASN 34 13.747 -2.268 -0.836 272 HB3 ASN 34 HB2 ASN 34 15.021 -2.020 -2.010 273 HD21 ASN 34 HD21 ASN 34 13.892 -0.079 -0.425 274 HD22 ASN 34 HD22 ASN 34 13.035 1.033 -1.406 275 H ASN 35 HN ASN 35 14.132 -4.022 -0.418 276 HA ASN 35 HA ASN 35 14.508 -6.711 -0.547 277 HB2 ASN 35 HB3 ASN 35 16.184 -6.227 -2.368 278 HB3 ASN 35 HB2 ASN 35 17.150 -5.370 -1.180 279 HD21 ASN 35 HD21 ASN 35 16.008 -8.455 -2.238 280 HD22 ASN 35 HD22 ASN 35 17.099 -9.398 -1.294 281 H GLY 36 HN GLY 36 13.692 -6.018 1.540 282 HA2 GLY 36 HA3 GLY 36 14.405 -6.263 3.832 283 HA3 GLY 36 HA2 GLY 36 15.882 -5.401 3.417 284 H ILE 37 HN ILE 37 15.292 -3.166 2.343 285 HA ILE 37 HA ILE 37 13.551 -1.711 4.141 286 HB ILE 37 HB ILE 37 14.358 -0.009 2.040 287 HG12 ILE 37 HG12 ILE 37 16.898 -0.283 2.350 288 HG13 ILE 37 HG11 ILE 37 16.523 -1.922 2.863 289 HG21 ILE 37 HG21 ILE 37 15.464 -0.332 4.816 290 HG22 ILE 37 HG22 ILE 37 14.052 0.621 4.361 291 HG23 ILE 37 HG23 ILE 37 15.653 1.090 3.791 292 HD11 ILE 37 HD11 ILE 37 15.862 -0.706 0.191 293 HD12 ILE 37 HD12 ILE 37 15.462 -2.348 0.700 294 HD13 ILE 37 HD13 ILE 37 17.150 -1.864 0.526 295 H GLY 38 HN GLY 38 12.948 0.117 1.598 296 HA2 GLY 38 HA3 GLY 38 11.351 0.286 -0.009 297 HA3 GLY 38 HA2 GLY 38 11.388 -1.463 -0.130 298 H SER 39 HN SER 39 9.509 1.164 0.636 299 HA SER 39 HA SER 39 7.729 -0.438 2.292 300 HB2 SER 39 HB3 SER 39 6.382 1.639 2.428 301 HB3 SER 39 HB2 SER 39 8.047 1.887 2.935 302 HG SER 39 HG SER 39 6.679 2.926 0.803 303 H CYS 40 HN CYS 40 6.879 -1.981 1.016 304 HA CYS 40 HA CYS 40 5.945 -1.504 -1.639 305 HB2 CYS 40 HB3 CYS 40 6.542 -3.778 -0.938 306 HB3 CYS 40 HB2 CYS 40 5.311 -3.740 0.317 307 H CYS 41 HN CYS 41 4.374 -0.060 -1.926 308 HA CYS 41 HA CYS 41 1.981 -0.366 -0.260 309 HB2 CYS 41 HB3 CYS 41 3.193 2.233 -1.229 310 HB3 CYS 41 HB2 CYS 41 1.679 2.080 -0.346 311 H ALA 42 HN ALA 42 0.062 0.739 -1.406 312 HA ALA 42 HA ALA 42 0.470 0.822 -4.291 313 HB1 ALA 42 HB1 ALA 42 -1.789 -0.627 -2.924 314 HB2 ALA 42 HB2 ALA 42 -0.492 -1.352 -3.887 315 HB3 ALA 42 HB3 ALA 42 -1.698 -0.315 -4.656 316 H ARG 43 HN ARG 43 -0.752 2.259 -5.424 317 HA ARG 43 HA ARG 43 -1.201 4.650 -4.031 318 HB2 ARG 43 HB3 ARG 43 -0.479 4.532 -6.377 319 HB3 ARG 43 HB2 ARG 43 -2.058 3.906 -6.826 320 HG2 ARG 43 HG3 ARG 43 -3.119 5.953 -6.303 321 HG3 ARG 43 HG2 ARG 43 -1.672 6.576 -5.508 322 HD2 ARG 43 HD3 ARG 43 -0.492 6.651 -7.589 323 HD3 ARG 43 HD2 ARG 43 -1.825 5.861 -8.429 324 HE ARG 43 HE ARG 43 -2.842 8.172 -7.280 325 HH11 ARG 43 HH11 ARG 43 -0.446 7.332 -9.682 326 HH12 ARG 43 HH12 ARG 43 -0.683 8.777 -10.613 327 HH21 ARG 43 HH21 ARG 43 -3.162 10.073 -8.495 328 HH22 ARG 43 HH22 ARG 43 -2.234 10.338 -9.935 329 H GLY 44 HN GLY 44 -2.761 5.063 -2.741 330 HA2 GLY 44 HA3 GLY 44 -5.261 5.635 -2.950 331 HA3 GLY 44 HA2 GLY 44 -5.425 3.906 -3.200 332 H TRP 45 HN TRP 45 -6.722 3.687 -1.357 333 HA TRP 45 HA TRP 45 -5.149 3.449 1.059 334 HB2 TRP 45 HB3 TRP 45 -6.264 5.782 0.976 335 HB3 TRP 45 HB2 TRP 45 -7.766 4.908 1.283 336 HD1 TRP 45 HD1 TRP 45 -8.267 4.329 3.766 337 HE1 TRP 45 HE1 TRP 45 -6.929 4.451 5.965 338 HE3 TRP 45 HE3 TRP 45 -3.720 5.543 1.830 339 HZ2 TRP 45 HZ2 TRP 45 -4.265 5.002 6.760 340 HZ3 TRP 45 HZ3 TRP 45 -1.817 5.856 3.372 341 HH2 TRP 45 HH2 TRP 45 -2.087 5.591 5.784 342 H ARG 46 HN ARG 46 -5.514 1.505 1.793 343 HA ARG 46 HA ARG 46 -7.879 0.027 1.138 344 HB2 ARG 46 HB3 ARG 46 -5.865 -1.188 1.292 345 HB3 ARG 46 HB2 ARG 46 -5.472 -0.520 2.867 346 HG2 ARG 46 HG3 ARG 46 -6.137 -2.748 3.223 347 HG3 ARG 46 HG2 ARG 46 -7.505 -1.757 3.727 348 HD2 ARG 46 HD3 ARG 46 -8.500 -3.459 2.497 349 HD3 ARG 46 HD2 ARG 46 -8.384 -2.137 1.338 350 HE ARG 46 HE ARG 46 -6.922 -4.651 1.304 351 HH11 ARG 46 HH11 ARG 46 -7.286 -1.461 -0.131 352 HH12 ARG 46 HH12 ARG 46 -6.453 -1.894 -1.589 353 HH21 ARG 46 HH21 ARG 46 -5.868 -5.210 -0.623 354 HH22 ARG 46 HH22 ARG 46 -5.652 -4.006 -1.867 355 H SER 47 HN SER 47 -9.568 -0.431 2.393 356 HA SER 47 HA SER 47 -11.230 -0.007 3.864 357 HB2 SER 47 HB3 SER 47 -10.592 -0.218 6.297 358 HB3 SER 47 HB2 SER 47 -10.081 -1.552 5.268 359 HG SER 47 HG SER 47 -8.271 0.529 5.554 Start of MODEL 7 1 H PCA 1 HT2 PCA 1 -14.975 6.573 -3.658 2 HA PCA 1 HA PCA 1 -13.802 4.795 -3.515 3 HB2 PCA 1 HB2 PCA 1 -14.530 3.091 -2.200 4 HB3 PCA 1 HB3 PCA 1 -15.888 2.745 -3.279 5 HG2 PCA 1 HG2 PCA 1 -15.808 4.477 -0.901 6 HG3 PCA 1 HG3 PCA 1 -17.226 3.844 -1.784 7 HT1 PCA 1 HT1 PCA 1 -16.167 5.852 -4.546 8 HA PRO 2 HA PRO 2 -14.478 3.671 -7.855 9 HB2 PRO 2 HB3 PRO 2 -11.621 3.260 -8.000 10 HB3 PRO 2 HB2 PRO 2 -12.580 4.538 -8.755 11 HG2 PRO 2 HG3 PRO 2 -10.773 4.969 -6.741 12 HG3 PRO 2 HG2 PRO 2 -12.161 6.017 -7.069 13 HD2 PRO 2 HD3 PRO 2 -11.838 3.886 -4.990 14 HD3 PRO 2 HD2 PRO 2 -12.620 5.479 -4.864 15 H PHE 3 HN PHE 3 -12.042 2.179 -5.786 16 HA PHE 3 HA PHE 3 -12.939 -0.486 -6.579 17 HB2 PHE 3 HB3 PHE 3 -10.920 -1.326 -5.666 18 HB3 PHE 3 HB2 PHE 3 -10.433 0.185 -6.426 19 HD1 PHE 3 HD1 PHE 3 -10.467 -1.721 -3.424 20 HD2 PHE 3 HD2 PHE 3 -10.288 2.260 -4.927 21 HE1 PHE 3 HE1 PHE 3 -9.585 -0.938 -1.265 22 HE2 PHE 3 HE2 PHE 3 -9.405 3.036 -2.773 23 HZ PHE 3 HZ PHE 3 -9.064 1.436 -0.940 24 H ILE 4 HN ILE 4 -13.231 -2.029 -4.679 25 HA ILE 4 HA ILE 4 -14.788 -0.659 -2.630 26 HB ILE 4 HB ILE 4 -14.513 -3.616 -3.199 27 HG12 ILE 4 HG12 ILE 4 -15.640 -2.459 -5.022 28 HG13 ILE 4 HG11 ILE 4 -16.796 -3.430 -4.115 29 HG21 ILE 4 HG21 ILE 4 -16.473 -3.869 -1.733 30 HG22 ILE 4 HG22 ILE 4 -16.387 -2.150 -1.349 31 HG23 ILE 4 HG23 ILE 4 -15.070 -3.224 -0.877 32 HD11 ILE 4 HD11 ILE 4 -17.529 -1.393 -2.940 33 HD12 ILE 4 HD12 ILE 4 -17.772 -1.310 -4.683 34 HD13 ILE 4 HD13 ILE 4 -16.425 -0.448 -3.939 35 HA PRO 5 HA PRO 5 -11.346 -0.866 0.252 36 HB2 PRO 5 HB3 PRO 5 -13.035 -0.599 2.472 37 HB3 PRO 5 HB2 PRO 5 -12.227 0.717 1.618 38 HG2 PRO 5 HG3 PRO 5 -15.021 -0.281 1.353 39 HG3 PRO 5 HG2 PRO 5 -14.404 1.379 1.251 40 HD2 PRO 5 HD3 PRO 5 -15.101 0.035 -0.945 41 HD3 PRO 5 HD2 PRO 5 -13.682 1.105 -0.941 42 H ARG 6 HN ARG 6 -10.600 -2.879 0.360 43 HA ARG 6 HA ARG 6 -12.232 -4.940 1.670 44 HB2 ARG 6 HB3 ARG 6 -9.761 -5.242 -0.053 45 HB3 ARG 6 HB2 ARG 6 -10.738 -6.553 0.588 46 HG2 ARG 6 HG3 ARG 6 -12.581 -5.964 -0.804 47 HG3 ARG 6 HG2 ARG 6 -11.790 -4.469 -1.310 48 HD2 ARG 6 HD3 ARG 6 -11.600 -6.149 -3.047 49 HD3 ARG 6 HD2 ARG 6 -10.013 -5.786 -2.370 50 HE ARG 6 HE ARG 6 -11.417 -8.069 -1.236 51 HH11 ARG 6 HH11 ARG 6 -8.975 -6.907 -3.457 52 HH12 ARG 6 HH12 ARG 6 -8.203 -8.451 -3.610 53 HH21 ARG 6 HH21 ARG 6 -10.398 -10.093 -1.413 54 HH22 ARG 6 HH22 ARG 6 -9.009 -10.268 -2.441 55 HA PRO 7 HA PRO 7 -9.468 -5.301 5.193 56 HB2 PRO 7 HB3 PRO 7 -8.827 -8.051 4.226 57 HB3 PRO 7 HB2 PRO 7 -9.322 -7.512 5.835 58 HG2 PRO 7 HG3 PRO 7 -11.052 -8.743 4.249 59 HG3 PRO 7 HG2 PRO 7 -11.561 -7.367 5.242 60 HD2 PRO 7 HD3 PRO 7 -11.013 -7.493 2.313 61 HD3 PRO 7 HD2 PRO 7 -12.230 -6.549 3.195 62 H ILE 8 HN ILE 8 -7.385 -4.842 5.569 63 HA ILE 8 HA ILE 8 -5.675 -4.253 3.423 64 HB ILE 8 HB ILE 8 -5.184 -4.374 6.389 65 HG12 ILE 8 HG12 ILE 8 -4.921 -1.867 6.024 66 HG13 ILE 8 HG11 ILE 8 -5.560 -2.126 4.408 67 HG21 ILE 8 HG21 ILE 8 -3.030 -3.269 5.998 68 HG22 ILE 8 HG22 ILE 8 -3.256 -3.456 4.259 69 HG23 ILE 8 HG23 ILE 8 -3.076 -4.881 5.283 70 HD11 ILE 8 HD11 ILE 8 -6.990 -2.742 6.981 71 HD12 ILE 8 HD12 ILE 8 -7.637 -2.962 5.356 72 HD13 ILE 8 HD13 ILE 8 -7.270 -1.341 5.948 73 H ASP 9 HN ASP 9 -4.617 -5.611 2.214 74 HA ASP 9 HA ASP 9 -3.682 -8.155 3.312 75 HB2 ASP 9 HB3 ASP 9 -3.941 -7.181 0.462 76 HB3 ASP 9 HB2 ASP 9 -3.152 -8.696 0.897 77 H THR 10 HN THR 10 -1.511 -8.864 2.594 78 HA THR 10 HA THR 10 0.428 -6.794 3.014 79 HB THR 10 HB THR 10 2.074 -8.681 2.717 80 HG1 THR 10 HG2 THR 10 1.357 -10.584 2.104 81 HG21 THR 10 HG21 THR 10 1.516 -9.710 4.863 82 HG22 THR 10 HG22 THR 10 -0.120 -9.061 4.752 83 HG23 THR 10 HG23 THR 10 1.254 -7.967 4.910 84 H CYS 11 HN CYS 11 2.525 -7.272 1.489 85 HA CYS 11 HA CYS 11 2.082 -5.981 -0.928 86 HB2 CYS 11 HB3 CYS 11 4.232 -6.244 0.394 87 HB3 CYS 11 HB2 CYS 11 4.387 -7.840 -0.319 88 H ARG 12 HN ARG 12 1.135 -9.093 -0.230 89 HA ARG 12 HA ARG 12 1.554 -10.591 -2.506 90 HB2 ARG 12 HB3 ARG 12 -0.670 -11.637 -1.987 91 HB3 ARG 12 HB2 ARG 12 0.517 -11.644 -0.694 92 HG2 ARG 12 HG3 ARG 12 -0.622 -9.628 0.243 93 HG3 ARG 12 HG2 ARG 12 -1.890 -9.877 -0.963 94 HD2 ARG 12 HD3 ARG 12 -0.987 -12.055 0.849 95 HD3 ARG 12 HD2 ARG 12 -2.222 -10.902 1.361 96 HE ARG 12 HE ARG 12 -2.838 -12.075 -1.166 97 HH11 ARG 12 HH11 ARG 12 -2.906 -12.665 2.283 98 HH12 ARG 12 HH12 ARG 12 -4.185 -13.833 2.187 99 HH21 ARG 12 HH21 ARG 12 -4.533 -13.602 -1.300 100 HH22 ARG 12 HH22 ARG 12 -5.124 -14.359 0.146 101 H LEU 13 HN LEU 13 -0.979 -8.149 -1.926 102 HA LEU 13 HA LEU 13 -1.771 -8.233 -4.729 103 HB2 LEU 13 HB3 LEU 13 -2.640 -6.625 -2.335 104 HB3 LEU 13 HB2 LEU 13 -3.084 -6.122 -3.950 105 HG LEU 13 HG LEU 13 -4.900 -7.343 -2.882 106 HD11 LEU 13 HD11 LEU 13 -3.644 -8.920 -5.117 107 HD12 LEU 13 HD12 LEU 13 -4.655 -7.489 -5.301 108 HD13 LEU 13 HD13 LEU 13 -5.337 -8.969 -4.630 109 HD21 LEU 13 HD21 LEU 13 -2.966 -9.649 -2.748 110 HD22 LEU 13 HD22 LEU 13 -4.692 -9.738 -2.399 111 HD23 LEU 13 HD23 LEU 13 -3.636 -8.761 -1.380 112 H ARG 14 HN ARG 14 -0.190 -7.419 -6.052 113 HA ARG 14 HA ARG 14 1.721 -5.717 -4.701 114 HB2 ARG 14 HB3 ARG 14 2.439 -7.920 -5.464 115 HB3 ARG 14 HB2 ARG 14 1.998 -7.492 -7.115 116 HG2 ARG 14 HG3 ARG 14 4.254 -7.111 -7.080 117 HG3 ARG 14 HG2 ARG 14 3.559 -5.513 -6.773 118 HD2 ARG 14 HD3 ARG 14 5.419 -5.932 -5.257 119 HD3 ARG 14 HD2 ARG 14 3.888 -5.812 -4.377 120 HE ARG 14 HE ARG 14 3.986 -8.094 -3.912 121 HH11 ARG 14 HH11 ARG 14 6.706 -7.094 -5.883 122 HH12 ARG 14 HH12 ARG 14 7.637 -8.519 -5.552 123 HH21 ARG 14 HH21 ARG 14 5.213 -9.971 -3.469 124 HH22 ARG 14 HH22 ARG 14 6.780 -10.161 -4.183 125 H ASN 15 HN ASN 15 2.767 -4.055 -5.688 126 HA ASN 15 HA ASN 15 3.440 -2.547 -7.197 127 HB2 ASN 15 HB3 ASN 15 3.474 -4.458 -8.781 128 HB3 ASN 15 HB2 ASN 15 1.832 -4.039 -9.248 129 HD21 ASN 15 HD21 ASN 15 2.387 -3.590 -11.367 130 HD22 ASN 15 HD22 ASN 15 3.300 -2.195 -11.811 131 H GLY 16 HN GLY 16 1.823 -1.386 -5.717 132 HA2 GLY 16 HA3 GLY 16 0.051 0.036 -7.585 133 HA3 GLY 16 HA2 GLY 16 -0.036 0.155 -5.833 134 H ILE 17 HN ILE 17 2.473 0.638 -5.019 135 HA ILE 17 HA ILE 17 4.213 1.748 -6.966 136 HB ILE 17 HB ILE 17 2.968 3.674 -5.035 137 HG12 ILE 17 HG12 ILE 17 3.988 3.833 -7.881 138 HG13 ILE 17 HG11 ILE 17 2.310 3.856 -7.352 139 HG21 ILE 17 HG21 ILE 17 5.806 3.916 -6.039 140 HG22 ILE 17 HG22 ILE 17 5.339 3.562 -4.374 141 HG23 ILE 17 HG23 ILE 17 4.924 5.120 -5.097 142 HD11 ILE 17 HD11 ILE 17 2.706 6.026 -6.275 143 HD12 ILE 17 HD12 ILE 17 3.021 6.063 -8.008 144 HD13 ILE 17 HD13 ILE 17 4.364 5.998 -6.867 145 H CYS 18 HN CYS 18 6.277 1.235 -6.386 146 HA CYS 18 HA CYS 18 6.699 0.211 -3.683 147 HB2 CYS 18 HB3 CYS 18 7.553 -1.215 -5.412 148 HB3 CYS 18 HB2 CYS 18 8.399 0.122 -6.183 149 H PHE 19 HN PHE 19 7.211 1.689 -2.185 150 HA PHE 19 HA PHE 19 8.681 4.083 -2.991 151 HB2 PHE 19 HB3 PHE 19 6.927 3.382 -0.688 152 HB3 PHE 19 HB2 PHE 19 8.157 4.612 -0.440 153 HD1 PHE 19 HD1 PHE 19 4.918 3.878 -1.754 154 HD2 PHE 19 HD2 PHE 19 8.152 6.624 -1.963 155 HE1 PHE 19 HE1 PHE 19 3.427 5.549 -2.768 156 HE2 PHE 19 HE2 PHE 19 6.674 8.299 -2.975 157 HZ PHE 19 HZ PHE 19 4.290 7.784 -3.326 158 HA PRO 20 HA PRO 20 12.247 2.582 -0.719 159 HB2 PRO 20 HB3 PRO 20 13.998 4.359 -1.728 160 HB3 PRO 20 HB2 PRO 20 13.493 2.930 -2.642 161 HG2 PRO 20 HG3 PRO 20 12.643 5.773 -2.938 162 HG3 PRO 20 HG2 PRO 20 12.888 4.537 -4.183 163 HD2 PRO 20 HD3 PRO 20 10.430 5.308 -3.122 164 HD3 PRO 20 HD2 PRO 20 10.743 3.806 -4.014 165 H GLY 21 HN GLY 21 11.559 3.220 1.296 166 HA2 GLY 21 HA3 GLY 21 12.281 5.065 2.927 167 HA3 GLY 21 HA2 GLY 21 11.354 6.100 1.848 168 H ILE 22 HN ILE 22 9.352 6.518 2.557 169 HA ILE 22 HA ILE 22 7.851 4.361 3.868 170 HB ILE 22 HB ILE 22 6.926 6.035 5.494 171 HG12 ILE 22 HG12 ILE 22 9.343 7.666 4.683 172 HG13 ILE 22 HG11 ILE 22 7.687 8.044 4.220 173 HG21 ILE 22 HG21 ILE 22 9.865 5.397 5.687 174 HG22 ILE 22 HG22 ILE 22 8.528 4.365 6.195 175 HG23 ILE 22 HG23 ILE 22 8.835 5.886 7.033 176 HD11 ILE 22 HD11 ILE 22 8.445 9.394 6.098 177 HD12 ILE 22 HD12 ILE 22 8.731 7.930 7.037 178 HD13 ILE 22 HD13 ILE 22 7.092 8.358 6.549 179 H CYS 23 HN CYS 23 5.586 4.555 3.754 180 HA CYS 23 HA CYS 23 4.567 6.387 1.741 181 HB2 CYS 23 HB3 CYS 23 3.571 3.820 2.966 182 HB3 CYS 23 HB2 CYS 23 2.561 4.817 1.967 183 H ARG 24 HN ARG 24 2.990 7.891 2.255 184 HA ARG 24 HA ARG 24 1.994 7.826 5.012 185 HB2 ARG 24 HB3 ARG 24 2.299 10.319 5.124 186 HB3 ARG 24 HB2 ARG 24 3.784 9.383 5.137 187 HG2 ARG 24 HG3 ARG 24 4.124 9.863 2.772 188 HG3 ARG 24 HG2 ARG 24 2.618 10.783 2.737 189 HD2 ARG 24 HD3 ARG 24 4.984 11.437 4.485 190 HD3 ARG 24 HD2 ARG 24 4.660 12.189 2.926 191 HE ARG 24 HE ARG 24 2.451 12.397 4.742 192 HH11 ARG 24 HH11 ARG 24 5.521 13.800 3.829 193 HH12 ARG 24 HH12 ARG 24 5.131 15.377 4.437 194 HH21 ARG 24 HH21 ARG 24 1.925 14.481 5.541 195 HH22 ARG 24 HH22 ARG 24 3.083 15.766 5.405 196 H ARG 25 HN ARG 25 1.558 9.190 1.751 197 HA ARG 25 HA ARG 25 -1.164 8.664 1.601 198 HB2 ARG 25 HB3 ARG 25 -0.530 11.369 2.713 199 HB3 ARG 25 HB2 ARG 25 -1.821 11.250 1.535 200 HG2 ARG 25 HG3 ARG 25 -1.715 9.741 4.136 201 HG3 ARG 25 HG2 ARG 25 -2.622 11.225 3.856 202 HD2 ARG 25 HD3 ARG 25 -3.964 10.099 2.169 203 HD3 ARG 25 HD2 ARG 25 -3.033 8.621 2.390 204 HE ARG 25 HE ARG 25 -3.907 8.944 4.844 205 HH11 ARG 25 HH11 ARG 25 -5.679 9.461 1.862 206 HH12 ARG 25 HH12 ARG 25 -7.205 9.009 2.551 207 HH21 ARG 25 HH21 ARG 25 -5.915 8.372 5.748 208 HH22 ARG 25 HH22 ARG 25 -7.342 8.389 4.762 209 HA PRO 26 HA PRO 26 -2.533 8.523 0.417 210 HB2 PRO 26 HB3 PRO 26 -3.354 8.075 -2.298 211 HB3 PRO 26 HB2 PRO 26 -4.173 9.051 -1.074 212 HG2 PRO 26 HG3 PRO 26 -3.039 10.092 -3.334 213 HG3 PRO 26 HG2 PRO 26 -3.213 10.993 -1.813 214 HD2 PRO 26 HD3 PRO 26 -0.805 9.541 -2.879 215 HD3 PRO 26 HD2 PRO 26 -0.904 11.161 -2.146 216 H TYR 27 HN TYR 27 -1.281 6.742 0.964 217 HA TYR 27 HA TYR 27 -1.081 4.607 -0.935 218 HB2 TYR 27 HB3 TYR 27 1.466 5.777 0.200 219 HB3 TYR 27 HB2 TYR 27 1.359 4.267 -0.683 220 HD1 TYR 27 HD1 TYR 27 0.844 4.286 -3.104 221 HD2 TYR 27 HD2 TYR 27 1.512 7.879 -0.934 222 HE1 TYR 27 HE1 TYR 27 1.150 5.501 -5.215 223 HE2 TYR 27 HE2 TYR 27 1.820 9.102 -3.036 224 HH TYR 27 HH TYR 27 2.521 8.556 -5.389 225 H TYR 28 HN TYR 28 -1.248 2.775 0.119 226 HA TYR 28 HA TYR 28 -0.936 2.906 3.024 227 HB2 TYR 28 HB3 TYR 28 -2.591 1.113 3.212 228 HB3 TYR 28 HB2 TYR 28 -3.254 2.511 2.384 229 HD1 TYR 28 HD1 TYR 28 -2.626 -1.050 2.200 230 HD2 TYR 28 HD2 TYR 28 -3.483 2.432 -0.119 231 HE1 TYR 28 HE1 TYR 28 -3.314 -2.467 0.310 232 HE2 TYR 28 HE2 TYR 28 -4.175 1.014 -1.996 233 HH TYR 28 HH TYR 28 -4.558 -2.409 -1.699 234 H TRP 29 HN TRP 29 0.487 1.679 3.948 235 HA TRP 29 HA TRP 29 2.405 0.356 2.339 236 HB2 TRP 29 HB3 TRP 29 3.053 1.585 4.324 237 HB3 TRP 29 HB2 TRP 29 2.084 0.542 5.337 238 HD1 TRP 29 HD1 TRP 29 5.428 0.697 3.520 239 HE1 TRP 29 HE1 TRP 29 6.902 -1.243 4.320 240 HE3 TRP 29 HE3 TRP 29 1.974 -1.847 6.265 241 HZ2 TRP 29 HZ2 TRP 29 6.636 -3.565 5.902 242 HZ3 TRP 29 HZ3 TRP 29 2.657 -3.929 7.391 243 HH2 TRP 29 HH2 TRP 29 4.940 -4.768 7.203 244 H ILE 30 HN ILE 30 2.241 -1.580 1.538 245 HA ILE 30 HA ILE 30 0.947 -3.695 3.118 246 HB ILE 30 HB ILE 30 0.519 -4.816 0.876 247 HG12 ILE 30 HG12 ILE 30 0.883 -2.017 -0.227 248 HG13 ILE 30 HG11 ILE 30 2.079 -3.293 -0.420 249 HG21 ILE 30 HG21 ILE 30 -1.521 -3.523 0.459 250 HG22 ILE 30 HG22 ILE 30 -0.896 -2.229 1.481 251 HG23 ILE 30 HG23 ILE 30 -1.253 -3.810 2.178 252 HD11 ILE 30 HD11 ILE 30 0.385 -4.629 -1.612 253 HD12 ILE 30 HD12 ILE 30 0.770 -3.104 -2.407 254 HD13 ILE 30 HD13 ILE 30 -0.731 -3.263 -1.483 255 H GLY 31 HN GLY 31 2.791 -4.493 4.067 256 HA2 GLY 31 HA3 GLY 31 4.711 -5.735 4.259 257 HA3 GLY 31 HA2 GLY 31 4.389 -6.304 2.635 258 H THR 32 HN THR 32 6.778 -6.298 2.459 259 HA THR 32 HA THR 32 7.873 -3.585 2.179 260 HB THR 32 HB THR 32 10.122 -4.953 2.339 261 HG1 THR 32 HG2 THR 32 9.079 -7.003 2.464 262 HG21 THR 32 HG21 THR 32 8.396 -4.347 4.743 263 HG22 THR 32 HG22 THR 32 9.404 -3.185 3.880 264 HG23 THR 32 HG23 THR 32 10.151 -4.528 4.745 265 H CYS 33 HN CYS 33 9.267 -3.084 0.550 266 HA CYS 33 HA CYS 33 9.377 -4.868 -1.794 267 HB2 CYS 33 HB3 CYS 33 7.873 -2.915 -2.161 268 HB3 CYS 33 HB2 CYS 33 9.189 -1.833 -1.737 269 H ASN 34 HN ASN 34 11.362 -3.692 -3.256 270 HA ASN 34 HA ASN 34 13.636 -3.512 -3.381 271 HB2 ASN 34 HB3 ASN 34 13.062 -2.001 -0.838 272 HB3 ASN 34 HB2 ASN 34 14.706 -2.191 -1.424 273 HD21 ASN 34 HD21 ASN 34 12.989 0.205 -1.113 274 HD22 ASN 34 HD22 ASN 34 12.990 0.955 -2.665 275 H ASN 35 HN ASN 35 15.620 -3.626 -1.339 276 HA ASN 35 HA ASN 35 15.271 -6.422 -0.493 277 HB2 ASN 35 HB3 ASN 35 17.786 -4.874 -1.144 278 HB3 ASN 35 HB2 ASN 35 17.783 -6.494 -0.456 279 HD21 ASN 35 HD21 ASN 35 18.846 -5.570 -2.997 280 HD22 ASN 35 HD22 ASN 35 18.050 -6.501 -4.217 281 H GLY 36 HN GLY 36 14.115 -5.566 1.396 282 HA2 GLY 36 HA3 GLY 36 14.594 -5.913 3.755 283 HA3 GLY 36 HA2 GLY 36 16.064 -4.972 3.537 284 H ILE 37 HN ILE 37 15.405 -2.791 2.338 285 HA ILE 37 HA ILE 37 13.642 -1.311 4.045 286 HB ILE 37 HB ILE 37 14.101 0.497 2.284 287 HG12 ILE 37 HG12 ILE 37 16.198 -1.498 1.429 288 HG13 ILE 37 HG11 ILE 37 14.754 -1.105 0.500 289 HG21 ILE 37 HG21 ILE 37 16.376 -0.724 3.833 290 HG22 ILE 37 HG22 ILE 37 15.212 0.456 4.435 291 HG23 ILE 37 HG23 ILE 37 16.359 0.911 3.175 292 HD11 ILE 37 HD11 ILE 37 16.905 0.840 1.268 293 HD12 ILE 37 HD12 ILE 37 15.493 1.177 0.268 294 HD13 ILE 37 HD13 ILE 37 16.738 0.067 -0.309 295 H GLY 38 HN GLY 38 12.621 0.354 1.758 296 HA2 GLY 38 HA3 GLY 38 11.222 0.295 -0.069 297 HA3 GLY 38 HA2 GLY 38 11.363 -1.454 -0.078 298 H SER 39 HN SER 39 9.495 1.219 0.813 299 HA SER 39 HA SER 39 7.597 -0.346 2.324 300 HB2 SER 39 HB3 SER 39 7.670 2.497 1.318 301 HB3 SER 39 HB2 SER 39 6.244 1.821 2.112 302 HG SER 39 HG SER 39 8.609 2.684 3.183 303 H CYS 40 HN CYS 40 6.807 -1.932 1.033 304 HA CYS 40 HA CYS 40 5.937 -1.473 -1.660 305 HB2 CYS 40 HB3 CYS 40 6.576 -3.742 -0.957 306 HB3 CYS 40 HB2 CYS 40 5.336 -3.731 0.286 307 H CYS 41 HN CYS 41 4.362 0.006 -1.890 308 HA CYS 41 HA CYS 41 1.943 -0.419 -0.286 309 HB2 CYS 41 HB3 CYS 41 2.950 2.228 -1.341 310 HB3 CYS 41 HB2 CYS 41 1.560 1.962 -0.290 311 H ALA 42 HN ALA 42 0.016 0.643 -1.437 312 HA ALA 42 HA ALA 42 0.429 0.605 -4.310 313 HB1 ALA 42 HB1 ALA 42 -1.892 -0.649 -2.857 314 HB2 ALA 42 HB2 ALA 42 -0.659 -1.482 -3.819 315 HB3 ALA 42 HB3 ALA 42 -1.823 -0.411 -4.604 316 H ARG 43 HN ARG 43 -0.644 2.117 -5.497 317 HA ARG 43 HA ARG 43 -0.976 4.550 -4.155 318 HB2 ARG 43 HB3 ARG 43 -0.251 4.355 -6.509 319 HB3 ARG 43 HB2 ARG 43 -1.874 3.834 -6.950 320 HG2 ARG 43 HG3 ARG 43 -2.765 5.981 -6.189 321 HG3 ARG 43 HG2 ARG 43 -1.130 6.503 -5.774 322 HD2 ARG 43 HD3 ARG 43 -1.807 7.391 -7.925 323 HD3 ARG 43 HD2 ARG 43 -0.462 6.268 -8.111 324 HE ARG 43 HE ARG 43 -2.979 4.972 -8.450 325 HH11 ARG 43 HH11 ARG 43 -0.645 7.003 -10.089 326 HH12 ARG 43 HH12 ARG 43 -1.106 6.469 -11.672 327 HH21 ARG 43 HH21 ARG 43 -3.590 4.266 -10.518 328 HH22 ARG 43 HH22 ARG 43 -2.795 4.912 -11.921 329 H GLY 44 HN GLY 44 -2.528 5.048 -2.879 330 HA2 GLY 44 HA3 GLY 44 -4.978 5.746 -3.104 331 HA3 GLY 44 HA2 GLY 44 -5.236 4.036 -3.400 332 H TRP 45 HN TRP 45 -6.632 4.072 -1.582 333 HA TRP 45 HA TRP 45 -5.151 3.669 0.895 334 HB2 TRP 45 HB3 TRP 45 -6.124 6.068 0.699 335 HB3 TRP 45 HB2 TRP 45 -7.685 5.288 0.943 336 HD1 TRP 45 HD1 TRP 45 -8.400 5.179 3.409 337 HE1 TRP 45 HE1 TRP 45 -7.176 5.210 5.676 338 HE3 TRP 45 HE3 TRP 45 -3.606 5.259 1.699 339 HZ2 TRP 45 HZ2 TRP 45 -4.503 5.260 6.609 340 HZ3 TRP 45 HZ3 TRP 45 -1.763 5.304 3.343 341 HH2 TRP 45 HH2 TRP 45 -2.206 5.303 5.741 342 H ARG 46 HN ARG 46 -5.692 1.692 1.527 343 HA ARG 46 HA ARG 46 -8.239 0.573 0.700 344 HB2 ARG 46 HB3 ARG 46 -5.976 -0.638 0.676 345 HB3 ARG 46 HB2 ARG 46 -6.187 -0.769 2.417 346 HG2 ARG 46 HG3 ARG 46 -8.281 -1.965 2.106 347 HG3 ARG 46 HG2 ARG 46 -8.090 -1.846 0.357 348 HD2 ARG 46 HD3 ARG 46 -5.982 -3.097 2.063 349 HD3 ARG 46 HD2 ARG 46 -7.389 -4.022 1.549 350 HE ARG 46 HE ARG 46 -5.777 -2.681 -0.498 351 HH11 ARG 46 HH11 ARG 46 -6.815 -5.629 1.079 352 HH12 ARG 46 HH12 ARG 46 -6.172 -6.677 -0.151 353 HH21 ARG 46 HH21 ARG 46 -4.935 -4.035 -2.130 354 HH22 ARG 46 HH22 ARG 46 -5.104 -5.755 -1.985 355 H SER 47 HN SER 47 -9.899 0.113 1.997 356 HA SER 47 HA SER 47 -11.344 0.282 3.726 357 HB2 SER 47 HB3 SER 47 -9.609 -1.290 4.741 358 HB3 SER 47 HB2 SER 47 -8.954 0.121 5.570 359 HG SER 47 HG SER 47 -10.578 0.088 6.913 Start of MODEL 8 1 H PCA 1 HT2 PCA 1 -13.443 7.091 -1.146 2 HA PCA 1 HA PCA 1 -12.857 5.044 -1.201 3 HB2 PCA 1 HB2 PCA 1 -13.761 3.656 0.357 4 HB3 PCA 1 HB3 PCA 1 -15.344 3.696 -0.435 5 HG2 PCA 1 HG2 PCA 1 -14.323 5.381 1.759 6 HG3 PCA 1 HG3 PCA 1 -16.006 5.137 1.215 7 HT1 PCA 1 HT1 PCA 1 -14.908 6.789 -1.846 8 HA PRO 2 HA PRO 2 -14.763 4.374 -5.267 9 HB2 PRO 2 HB3 PRO 2 -12.249 3.138 -6.017 10 HB3 PRO 2 HB2 PRO 2 -12.940 4.655 -6.597 11 HG2 PRO 2 HG3 PRO 2 -10.699 4.517 -5.046 12 HG3 PRO 2 HG2 PRO 2 -11.794 5.911 -5.066 13 HD2 PRO 2 HD3 PRO 2 -11.617 3.661 -3.089 14 HD3 PRO 2 HD2 PRO 2 -11.854 5.404 -2.800 15 H PHE 3 HN PHE 3 -12.986 2.252 -3.196 16 HA PHE 3 HA PHE 3 -14.742 0.050 -3.986 17 HB2 PHE 3 HB3 PHE 3 -13.016 -1.529 -3.757 18 HB3 PHE 3 HB2 PHE 3 -12.202 -0.184 -4.544 19 HD1 PHE 3 HD1 PHE 3 -11.983 -2.504 -1.939 20 HD2 PHE 3 HD2 PHE 3 -11.139 1.568 -2.866 21 HE1 PHE 3 HE1 PHE 3 -10.296 -2.446 -0.148 22 HE2 PHE 3 HE2 PHE 3 -9.457 1.627 -1.078 23 HZ PHE 3 HZ PHE 3 -9.118 -0.398 0.357 24 H ILE 4 HN ILE 4 -15.140 -1.449 -2.096 25 HA ILE 4 HA ILE 4 -15.377 0.116 0.343 26 HB ILE 4 HB ILE 4 -17.345 -1.136 -0.285 27 HG12 ILE 4 HG12 ILE 4 -17.638 -2.568 1.777 28 HG13 ILE 4 HG11 ILE 4 -15.948 -2.244 2.148 29 HG21 ILE 4 HG21 ILE 4 -15.624 -3.599 -0.156 30 HG22 ILE 4 HG22 ILE 4 -16.388 -2.910 -1.590 31 HG23 ILE 4 HG23 ILE 4 -17.380 -3.598 -0.305 32 HD11 ILE 4 HD11 ILE 4 -16.441 0.147 2.250 33 HD12 ILE 4 HD12 ILE 4 -17.409 -0.777 3.396 34 HD13 ILE 4 HD13 ILE 4 -18.134 -0.194 1.899 35 HA PRO 5 HA PRO 5 -11.299 -1.139 1.761 36 HB2 PRO 5 HB3 PRO 5 -12.817 -0.548 4.272 37 HB3 PRO 5 HB2 PRO 5 -11.162 -0.113 3.838 38 HG2 PRO 5 HG3 PRO 5 -13.178 1.647 3.641 39 HG3 PRO 5 HG2 PRO 5 -11.830 1.633 2.492 40 HD2 PRO 5 HD3 PRO 5 -14.633 0.872 2.081 41 HD3 PRO 5 HD2 PRO 5 -13.390 1.279 0.890 42 H ARG 6 HN ARG 6 -11.037 -3.275 1.549 43 HA ARG 6 HA ARG 6 -12.523 -5.134 3.241 44 HB2 ARG 6 HB3 ARG 6 -10.413 -5.702 1.143 45 HB3 ARG 6 HB2 ARG 6 -11.478 -6.877 1.898 46 HG2 ARG 6 HG3 ARG 6 -13.402 -5.848 0.827 47 HG3 ARG 6 HG2 ARG 6 -12.354 -4.630 0.096 48 HD2 ARG 6 HD3 ARG 6 -12.249 -7.606 -0.396 49 HD3 ARG 6 HD2 ARG 6 -12.881 -6.386 -1.500 50 HE ARG 6 HE ARG 6 -10.656 -5.580 -1.822 51 HH11 ARG 6 HH11 ARG 6 -10.847 -8.584 -0.024 52 HH12 ARG 6 HH12 ARG 6 -9.205 -9.031 -0.350 53 HH21 ARG 6 HH21 ARG 6 -8.518 -6.174 -2.279 54 HH22 ARG 6 HH22 ARG 6 -7.868 -7.650 -1.621 55 HA PRO 7 HA PRO 7 -9.246 -5.957 6.248 56 HB2 PRO 7 HB3 PRO 7 -9.059 -8.636 4.915 57 HB3 PRO 7 HB2 PRO 7 -9.098 -8.245 6.639 58 HG2 PRO 7 HG3 PRO 7 -11.275 -9.161 5.409 59 HG3 PRO 7 HG2 PRO 7 -11.390 -7.896 6.645 60 HD2 PRO 7 HD3 PRO 7 -11.688 -7.694 3.699 61 HD3 PRO 7 HD2 PRO 7 -12.418 -6.707 4.981 62 H ILE 8 HN ILE 8 -7.189 -5.369 6.134 63 HA ILE 8 HA ILE 8 -6.103 -4.686 3.644 64 HB ILE 8 HB ILE 8 -4.819 -4.781 6.365 65 HG12 ILE 8 HG12 ILE 8 -6.013 -2.530 4.735 66 HG13 ILE 8 HG11 ILE 8 -6.695 -3.234 6.195 67 HG21 ILE 8 HG21 ILE 8 -3.087 -4.893 4.661 68 HG22 ILE 8 HG22 ILE 8 -3.091 -3.300 5.420 69 HG23 ILE 8 HG23 ILE 8 -3.801 -3.516 3.821 70 HD11 ILE 8 HD11 ILE 8 -4.779 -2.406 7.472 71 HD12 ILE 8 HD12 ILE 8 -5.657 -1.105 6.664 72 HD13 ILE 8 HD13 ILE 8 -4.126 -1.681 6.001 73 H ASP 9 HN ASP 9 -5.145 -5.873 2.198 74 HA ASP 9 HA ASP 9 -4.092 -8.490 2.861 75 HB2 ASP 9 HB3 ASP 9 -4.266 -7.000 0.225 76 HB3 ASP 9 HB2 ASP 9 -3.593 -8.621 0.395 77 H THR 10 HN THR 10 -1.950 -9.095 2.102 78 HA THR 10 HA THR 10 0.021 -7.127 2.831 79 HB THR 10 HB THR 10 1.592 -9.098 2.363 80 HG1 THR 10 HG2 THR 10 0.446 -11.141 2.402 81 HG21 THR 10 HG21 THR 10 1.035 -10.133 4.509 82 HG22 THR 10 HG22 THR 10 -0.555 -9.371 4.467 83 HG23 THR 10 HG23 THR 10 0.893 -8.376 4.602 84 H CYS 11 HN CYS 11 2.164 -7.520 1.339 85 HA CYS 11 HA CYS 11 1.784 -6.093 -1.015 86 HB2 CYS 11 HB3 CYS 11 3.921 -6.362 0.242 87 HB3 CYS 11 HB2 CYS 11 4.044 -7.998 -0.386 88 H ARG 12 HN ARG 12 0.726 -9.194 -0.520 89 HA ARG 12 HA ARG 12 1.158 -10.520 -2.905 90 HB2 ARG 12 HB3 ARG 12 -0.995 -11.640 -2.533 91 HB3 ARG 12 HB2 ARG 12 0.057 -11.646 -1.135 92 HG2 ARG 12 HG3 ARG 12 -1.288 -9.681 -0.293 93 HG3 ARG 12 HG2 ARG 12 -2.445 -10.073 -1.575 94 HD2 ARG 12 HD3 ARG 12 -2.633 -12.338 -0.740 95 HD3 ARG 12 HD2 ARG 12 -1.428 -11.983 0.492 96 HE ARG 12 HE ARG 12 -3.969 -10.499 0.443 97 HH11 ARG 12 HH11 ARG 12 -1.792 -12.710 2.065 98 HH12 ARG 12 HH12 ARG 12 -2.695 -12.711 3.545 99 HH21 ARG 12 HH21 ARG 12 -5.165 -10.500 2.377 100 HH22 ARG 12 HH22 ARG 12 -4.611 -11.454 3.729 101 H LEU 13 HN LEU 13 -1.138 -7.927 -2.175 102 HA LEU 13 HA LEU 13 -1.857 -7.720 -4.995 103 HB2 LEU 13 HB3 LEU 13 -2.666 -6.264 -2.495 104 HB3 LEU 13 HB2 LEU 13 -2.941 -5.526 -4.055 105 HG LEU 13 HG LEU 13 -4.963 -6.585 -3.295 106 HD11 LEU 13 HD11 LEU 13 -5.437 -8.024 -5.182 107 HD12 LEU 13 HD12 LEU 13 -3.715 -8.205 -5.503 108 HD13 LEU 13 HD13 LEU 13 -4.484 -6.631 -5.692 109 HD21 LEU 13 HD21 LEU 13 -3.371 -9.138 -3.161 110 HD22 LEU 13 HD22 LEU 13 -5.112 -8.993 -2.927 111 HD23 LEU 13 HD23 LEU 13 -4.003 -8.233 -1.786 112 H ARG 14 HN ARG 14 -0.111 -7.022 -6.161 113 HA ARG 14 HA ARG 14 1.663 -5.123 -4.842 114 HB2 ARG 14 HB3 ARG 14 2.621 -7.302 -5.199 115 HB3 ARG 14 HB2 ARG 14 2.141 -7.283 -6.890 116 HG2 ARG 14 HG3 ARG 14 4.391 -6.798 -6.928 117 HG3 ARG 14 HG2 ARG 14 3.580 -5.239 -7.098 118 HD2 ARG 14 HD3 ARG 14 3.881 -4.843 -4.684 119 HD3 ARG 14 HD2 ARG 14 4.786 -6.357 -4.577 120 HE ARG 14 HE ARG 14 5.694 -4.232 -6.394 121 HH11 ARG 14 HH11 ARG 14 6.243 -6.215 -3.561 122 HH12 ARG 14 HH12 ARG 14 7.943 -5.879 -3.506 123 HH21 ARG 14 HH21 ARG 14 7.921 -3.791 -6.326 124 HH22 ARG 14 HH22 ARG 14 8.896 -4.489 -5.071 125 H ASN 15 HN ASN 15 2.990 -3.814 -6.381 126 HA ASN 15 HA ASN 15 3.392 -2.458 -8.122 127 HB2 ASN 15 HB3 ASN 15 1.318 -4.176 -9.471 128 HB3 ASN 15 HB2 ASN 15 2.070 -2.802 -10.278 129 HD21 ASN 15 HD21 ASN 15 2.196 -5.674 -10.866 130 HD22 ASN 15 HD22 ASN 15 3.874 -6.076 -10.863 131 H GLY 16 HN GLY 16 1.999 -1.482 -6.095 132 HA2 GLY 16 HA3 GLY 16 0.078 0.267 -7.482 133 HA3 GLY 16 HA2 GLY 16 0.163 0.042 -5.739 134 H ILE 17 HN ILE 17 2.649 0.510 -4.966 135 HA ILE 17 HA ILE 17 4.357 1.773 -6.826 136 HB ILE 17 HB ILE 17 3.154 3.589 -4.761 137 HG12 ILE 17 HG12 ILE 17 4.107 3.875 -7.618 138 HG13 ILE 17 HG11 ILE 17 2.452 3.950 -7.027 139 HG21 ILE 17 HG21 ILE 17 5.500 3.461 -4.114 140 HG22 ILE 17 HG22 ILE 17 5.129 5.034 -4.825 141 HG23 ILE 17 HG23 ILE 17 5.987 3.816 -5.771 142 HD11 ILE 17 HD11 ILE 17 3.232 6.153 -7.596 143 HD12 ILE 17 HD12 ILE 17 4.626 5.970 -6.533 144 HD13 ILE 17 HD13 ILE 17 3.002 6.041 -5.851 145 H CYS 18 HN CYS 18 6.474 1.328 -6.268 146 HA CYS 18 HA CYS 18 6.959 0.308 -3.564 147 HB2 CYS 18 HB3 CYS 18 7.791 -1.176 -5.246 148 HB3 CYS 18 HB2 CYS 18 8.572 0.141 -6.114 149 H PHE 19 HN PHE 19 7.355 1.956 -2.197 150 HA PHE 19 HA PHE 19 8.909 4.254 -3.101 151 HB2 PHE 19 HB3 PHE 19 7.243 3.674 -0.675 152 HB3 PHE 19 HB2 PHE 19 8.415 4.978 -0.636 153 HD1 PHE 19 HD1 PHE 19 5.114 4.080 -1.371 154 HD2 PHE 19 HD2 PHE 19 8.231 6.712 -2.574 155 HE1 PHE 19 HE1 PHE 19 3.451 5.574 -2.401 156 HE2 PHE 19 HE2 PHE 19 6.577 8.216 -3.601 157 HZ PHE 19 HZ PHE 19 4.181 7.652 -3.511 158 HA PRO 20 HA PRO 20 12.341 2.805 -0.604 159 HB2 PRO 20 HB3 PRO 20 14.177 4.541 -1.533 160 HB3 PRO 20 HB2 PRO 20 13.696 3.109 -2.451 161 HG2 PRO 20 HG3 PRO 20 12.994 5.959 -2.889 162 HG3 PRO 20 HG2 PRO 20 13.148 4.645 -4.065 163 HD2 PRO 20 HD3 PRO 20 10.754 5.666 -2.948 164 HD3 PRO 20 HD2 PRO 20 10.928 4.215 -3.956 165 H GLY 21 HN GLY 21 11.504 3.480 1.351 166 HA2 GLY 21 HA3 GLY 21 12.306 5.352 2.966 167 HA3 GLY 21 HA2 GLY 21 11.355 6.357 1.883 168 H ILE 22 HN ILE 22 9.298 6.697 2.461 169 HA ILE 22 HA ILE 22 7.882 4.607 3.943 170 HB ILE 22 HB ILE 22 6.888 6.391 5.438 171 HG12 ILE 22 HG12 ILE 22 9.344 7.928 4.564 172 HG13 ILE 22 HG11 ILE 22 7.689 8.336 4.126 173 HG21 ILE 22 HG21 ILE 22 9.807 5.725 5.758 174 HG22 ILE 22 HG22 ILE 22 8.442 4.722 6.250 175 HG23 ILE 22 HG23 ILE 22 8.728 6.273 7.042 176 HD11 ILE 22 HD11 ILE 22 7.166 8.720 6.481 177 HD12 ILE 22 HD12 ILE 22 8.493 9.743 5.930 178 HD13 ILE 22 HD13 ILE 22 8.828 8.318 6.913 179 H CYS 23 HN CYS 23 5.760 4.441 3.503 180 HA CYS 23 HA CYS 23 4.543 6.268 1.614 181 HB2 CYS 23 HB3 CYS 23 3.614 3.648 2.808 182 HB3 CYS 23 HB2 CYS 23 2.777 4.544 1.579 183 H ARG 24 HN ARG 24 2.950 7.682 2.207 184 HA ARG 24 HA ARG 24 1.788 7.330 4.873 185 HB2 ARG 24 HB3 ARG 24 1.969 9.838 5.183 186 HB3 ARG 24 HB2 ARG 24 3.466 8.924 5.306 187 HG2 ARG 24 HG3 ARG 24 4.071 9.566 3.040 188 HG3 ARG 24 HG2 ARG 24 2.548 10.443 2.873 189 HD2 ARG 24 HD3 ARG 24 4.726 11.051 4.868 190 HD3 ARG 24 HD2 ARG 24 4.406 11.951 3.384 191 HE ARG 24 HE ARG 24 2.048 11.901 4.873 192 HH11 ARG 24 HH11 ARG 24 5.273 13.205 5.111 193 HH12 ARG 24 HH12 ARG 24 4.794 14.562 6.076 194 HH21 ARG 24 HH21 ARG 24 1.399 13.685 6.142 195 HH22 ARG 24 HH22 ARG 24 2.584 14.834 6.670 196 H ARG 25 HN ARG 25 1.508 8.977 1.712 197 HA ARG 25 HA ARG 25 -1.127 8.224 1.342 198 HB2 ARG 25 HB3 ARG 25 -0.897 10.603 2.997 199 HB3 ARG 25 HB2 ARG 25 -1.823 10.908 1.535 200 HG2 ARG 25 HG3 ARG 25 -3.291 9.021 2.079 201 HG3 ARG 25 HG2 ARG 25 -2.372 8.744 3.559 202 HD2 ARG 25 HD3 ARG 25 -2.954 11.033 4.288 203 HD3 ARG 25 HD2 ARG 25 -3.955 11.203 2.849 204 HE ARG 25 HE ARG 25 -4.472 9.087 4.834 205 HH11 ARG 25 HH11 ARG 25 -5.568 11.806 2.917 206 HH12 ARG 25 HH12 ARG 25 -7.215 11.667 3.436 207 HH21 ARG 25 HH21 ARG 25 -6.651 8.903 5.511 208 HH22 ARG 25 HH22 ARG 25 -7.831 10.021 4.905 209 HA PRO 26 HA PRO 26 -2.642 8.368 0.258 210 HB2 PRO 26 HB3 PRO 26 -3.420 7.988 -2.489 211 HB3 PRO 26 HB2 PRO 26 -4.255 8.931 -1.249 212 HG2 PRO 26 HG3 PRO 26 -3.076 10.036 -3.455 213 HG3 PRO 26 HG2 PRO 26 -3.280 10.893 -1.913 214 HD2 PRO 26 HD3 PRO 26 -0.849 9.490 -2.989 215 HD3 PRO 26 HD2 PRO 26 -0.969 11.070 -2.180 216 H TYR 27 HN TYR 27 -1.430 6.603 0.824 217 HA TYR 27 HA TYR 27 -1.128 4.449 -1.031 218 HB2 TYR 27 HB3 TYR 27 1.384 5.666 0.143 219 HB3 TYR 27 HB2 TYR 27 1.307 4.181 -0.783 220 HD1 TYR 27 HD1 TYR 27 0.826 4.262 -3.210 221 HD2 TYR 27 HD2 TYR 27 1.434 7.801 -0.934 222 HE1 TYR 27 HE1 TYR 27 1.253 5.509 -5.279 223 HE2 TYR 27 HE2 TYR 27 1.861 9.058 -3.000 224 HH TYR 27 HH TYR 27 2.565 8.653 -5.301 225 H TYR 28 HN TYR 28 -1.243 2.619 0.078 226 HA TYR 28 HA TYR 28 -0.900 2.818 2.977 227 HB2 TYR 28 HB3 TYR 28 -2.366 0.752 3.076 228 HB3 TYR 28 HB2 TYR 28 -3.168 2.242 2.596 229 HD1 TYR 28 HD1 TYR 28 -2.522 -1.175 1.757 230 HD2 TYR 28 HD2 TYR 28 -3.555 2.600 0.060 231 HE1 TYR 28 HE1 TYR 28 -3.408 -2.307 -0.237 232 HE2 TYR 28 HE2 TYR 28 -4.439 1.466 -1.926 233 HH TYR 28 HH TYR 28 -4.210 -0.639 -3.106 234 H TRP 29 HN TRP 29 0.628 1.731 3.890 235 HA TRP 29 HA TRP 29 2.583 0.387 2.351 236 HB2 TRP 29 HB3 TRP 29 3.163 1.673 4.335 237 HB3 TRP 29 HB2 TRP 29 2.187 0.633 5.340 238 HD1 TRP 29 HD1 TRP 29 5.603 0.890 3.731 239 HE1 TRP 29 HE1 TRP 29 7.090 -1.028 4.575 240 HE3 TRP 29 HE3 TRP 29 2.068 -1.829 6.180 241 HZ2 TRP 29 HZ2 TRP 29 6.796 -3.391 6.088 242 HZ3 TRP 29 HZ3 TRP 29 2.741 -3.914 7.305 243 HH2 TRP 29 HH2 TRP 29 5.060 -4.677 7.254 244 H ILE 30 HN ILE 30 2.336 -1.582 1.545 245 HA ILE 30 HA ILE 30 1.105 -3.635 3.260 246 HB ILE 30 HB ILE 30 0.509 -4.823 1.104 247 HG12 ILE 30 HG12 ILE 30 1.059 -2.099 -0.113 248 HG13 ILE 30 HG11 ILE 30 2.025 -3.539 -0.397 249 HG21 ILE 30 HG21 ILE 30 -0.773 -2.137 1.570 250 HG22 ILE 30 HG22 ILE 30 -1.129 -3.615 2.467 251 HG23 ILE 30 HG23 ILE 30 -1.509 -3.514 0.748 252 HD11 ILE 30 HD11 ILE 30 -0.070 -4.586 -1.324 253 HD12 ILE 30 HD12 ILE 30 0.644 -3.278 -2.267 254 HD13 ILE 30 HD13 ILE 30 -0.787 -2.973 -1.268 255 H GLY 31 HN GLY 31 2.966 -4.406 4.146 256 HA2 GLY 31 HA3 GLY 31 4.927 -5.581 4.310 257 HA3 GLY 31 HA2 GLY 31 4.634 -6.145 2.675 258 H THR 32 HN THR 32 7.079 -5.969 2.734 259 HA THR 32 HA THR 32 8.003 -3.196 2.428 260 HB THR 32 HB THR 32 10.305 -4.242 2.733 261 HG1 THR 32 HG2 THR 32 8.948 -6.399 3.953 262 HG21 THR 32 HG21 THR 32 10.096 -4.332 5.162 263 HG22 THR 32 HG22 THR 32 8.344 -4.477 5.019 264 HG23 THR 32 HG23 THR 32 9.151 -2.995 4.508 265 H CYS 33 HN CYS 33 9.633 -2.742 0.822 266 HA CYS 33 HA CYS 33 9.543 -4.537 -1.509 267 HB2 CYS 33 HB3 CYS 33 8.220 -2.457 -1.853 268 HB3 CYS 33 HB2 CYS 33 9.666 -1.505 -1.553 269 H ASN 34 HN ASN 34 11.474 -3.507 -3.075 270 HA ASN 34 HA ASN 34 13.693 -3.810 -3.454 271 HB2 ASN 34 HB3 ASN 34 14.224 -2.628 -0.723 272 HB3 ASN 34 HB2 ASN 34 15.242 -2.563 -2.152 273 HD21 ASN 34 HD21 ASN 34 14.431 -0.439 -0.503 274 HD22 ASN 34 HD22 ASN 34 13.471 0.632 -1.436 275 H ASN 35 HN ASN 35 15.672 -4.205 -1.205 276 HA ASN 35 HA ASN 35 15.229 -7.039 -0.859 277 HB2 ASN 35 HB3 ASN 35 17.496 -5.195 -0.152 278 HB3 ASN 35 HB2 ASN 35 17.441 -6.844 0.456 279 HD21 ASN 35 HD21 ASN 35 17.783 -4.837 -2.362 280 HD22 ASN 35 HD22 ASN 35 18.377 -6.078 -3.412 281 H GLY 36 HN GLY 36 14.076 -4.402 0.751 282 HA2 GLY 36 HA3 GLY 36 12.722 -5.654 2.672 283 HA3 GLY 36 HA2 GLY 36 14.306 -5.559 3.412 284 H ILE 37 HN ILE 37 14.897 -2.884 2.310 285 HA ILE 37 HA ILE 37 13.674 -1.528 4.514 286 HB ILE 37 HB ILE 37 15.122 0.373 3.109 287 HG12 ILE 37 HG12 ILE 37 17.367 -0.842 2.946 288 HG13 ILE 37 HG11 ILE 37 16.426 -2.326 2.911 289 HG21 ILE 37 HG21 ILE 37 15.038 0.125 5.515 290 HG22 ILE 37 HG22 ILE 37 16.714 0.139 4.963 291 HG23 ILE 37 HG23 ILE 37 15.944 -1.384 5.409 292 HD11 ILE 37 HD11 ILE 37 17.043 -1.605 0.679 293 HD12 ILE 37 HD12 ILE 37 16.221 -0.067 0.937 294 HD13 ILE 37 HD13 ILE 37 15.294 -1.565 0.895 295 H GLY 38 HN GLY 38 13.318 -1.365 1.005 296 HA2 GLY 38 HA3 GLY 38 11.807 1.020 0.975 297 HA3 GLY 38 HA2 GLY 38 11.841 -0.204 -0.289 298 H SER 39 HN SER 39 9.505 0.924 0.077 299 HA SER 39 HA SER 39 8.009 -0.885 1.835 300 HB2 SER 39 HB3 SER 39 6.382 0.981 2.041 301 HB3 SER 39 HB2 SER 39 7.989 1.385 2.644 302 HG SER 39 HG SER 39 6.570 2.599 0.745 303 H CYS 40 HN CYS 40 6.706 -2.233 0.846 304 HA CYS 40 HA CYS 40 5.895 -1.788 -1.904 305 HB2 CYS 40 HB3 CYS 40 6.444 -4.081 -1.228 306 HB3 CYS 40 HB2 CYS 40 5.257 -4.011 0.069 307 H CYS 41 HN CYS 41 4.414 -0.171 -2.036 308 HA CYS 41 HA CYS 41 2.033 -0.480 -0.346 309 HB2 CYS 41 HB3 CYS 41 3.163 2.132 -1.344 310 HB3 CYS 41 HB2 CYS 41 1.839 1.905 -0.201 311 H ALA 42 HN ALA 42 0.121 0.763 -1.397 312 HA ALA 42 HA ALA 42 0.442 0.863 -4.288 313 HB1 ALA 42 HB1 ALA 42 -0.586 -1.286 -3.858 314 HB2 ALA 42 HB2 ALA 42 -1.756 -0.205 -4.627 315 HB3 ALA 42 HB3 ALA 42 -1.850 -0.507 -2.892 316 H ARG 43 HN ARG 43 -0.710 2.356 -5.378 317 HA ARG 43 HA ARG 43 -1.237 4.734 -4.000 318 HB2 ARG 43 HB3 ARG 43 -0.564 4.477 -6.434 319 HB3 ARG 43 HB2 ARG 43 -2.233 4.048 -6.771 320 HG2 ARG 43 HG3 ARG 43 -1.473 6.645 -5.462 321 HG3 ARG 43 HG2 ARG 43 -1.546 6.446 -7.211 322 HD2 ARG 43 HD3 ARG 43 -3.895 5.839 -7.066 323 HD3 ARG 43 HD2 ARG 43 -3.833 5.948 -5.308 324 HE ARG 43 HE ARG 43 -3.012 8.396 -6.442 325 HH11 ARG 43 HH11 ARG 43 -5.877 6.452 -5.926 326 HH12 ARG 43 HH12 ARG 43 -6.955 7.809 -5.949 327 HH21 ARG 43 HH21 ARG 43 -4.440 10.189 -6.474 328 HH22 ARG 43 HH22 ARG 43 -6.142 9.926 -6.263 329 H GLY 44 HN GLY 44 -2.813 5.034 -2.667 330 HA2 GLY 44 HA3 GLY 44 -5.329 5.560 -3.001 331 HA3 GLY 44 HA2 GLY 44 -5.428 3.811 -3.162 332 H TRP 45 HN TRP 45 -6.824 3.875 -1.304 333 HA TRP 45 HA TRP 45 -5.257 3.712 1.124 334 HB2 TRP 45 HB3 TRP 45 -6.223 6.092 0.871 335 HB3 TRP 45 HB2 TRP 45 -7.781 5.341 1.219 336 HD1 TRP 45 HD1 TRP 45 -8.372 5.285 3.731 337 HE1 TRP 45 HE1 TRP 45 -7.027 5.343 5.927 338 HE3 TRP 45 HE3 TRP 45 -3.674 5.326 1.771 339 HZ2 TRP 45 HZ2 TRP 45 -4.304 5.388 6.709 340 HZ3 TRP 45 HZ3 TRP 45 -1.745 5.382 3.306 341 HH2 TRP 45 HH2 TRP 45 -2.059 5.415 5.727 342 H ARG 46 HN ARG 46 -5.712 1.811 1.922 343 HA ARG 46 HA ARG 46 -8.498 0.902 1.832 344 HB2 ARG 46 HB3 ARG 46 -6.950 -0.669 0.869 345 HB3 ARG 46 HB2 ARG 46 -5.943 -0.629 2.307 346 HG2 ARG 46 HG3 ARG 46 -7.812 -1.613 3.584 347 HG3 ARG 46 HG2 ARG 46 -8.753 -1.699 2.095 348 HD2 ARG 46 HD3 ARG 46 -6.130 -3.081 2.612 349 HD3 ARG 46 HD2 ARG 46 -7.719 -3.842 2.640 350 HE ARG 46 HE ARG 46 -6.971 -2.518 0.165 351 HH11 ARG 46 HH11 ARG 46 -7.309 -5.511 1.944 352 HH12 ARG 46 HH12 ARG 46 -7.048 -6.521 0.548 353 HH21 ARG 46 HH21 ARG 46 -6.653 -3.832 -1.673 354 HH22 ARG 46 HH22 ARG 46 -6.680 -5.559 -1.503 355 H SER 47 HN SER 47 -9.502 0.230 3.660 356 HA SER 47 HA SER 47 -10.183 0.329 5.818 357 HB2 SER 47 HB3 SER 47 -8.095 -1.015 6.220 358 HB3 SER 47 HB2 SER 47 -7.251 0.494 6.552 359 HG SER 47 HG SER 47 -7.902 0.086 8.518 Start of MODEL 9 1 H PCA 1 HT2 PCA 1 -17.571 5.592 -1.911 2 HA PCA 1 HA PCA 1 -15.776 4.453 -2.080 3 HB2 PCA 1 HB2 PCA 1 -15.756 2.372 -1.149 4 HB3 PCA 1 HB3 PCA 1 -16.878 1.743 -2.361 5 HG2 PCA 1 HG2 PCA 1 -17.462 2.975 0.269 6 HG3 PCA 1 HG3 PCA 1 -18.477 1.891 -0.725 7 HT1 PCA 1 HT1 PCA 1 -18.334 4.734 -3.100 8 HA PRO 2 HA PRO 2 -15.852 3.996 -6.567 9 HB2 PRO 2 HB3 PRO 2 -12.974 4.179 -6.537 10 HB3 PRO 2 HB2 PRO 2 -14.139 5.394 -7.069 11 HG2 PRO 2 HG3 PRO 2 -12.538 5.648 -4.849 12 HG3 PRO 2 HG2 PRO 2 -14.076 6.499 -5.078 13 HD2 PRO 2 HD3 PRO 2 -13.480 4.048 -3.469 14 HD3 PRO 2 HD2 PRO 2 -14.571 5.408 -3.105 15 H PHE 3 HN PHE 3 -13.969 2.312 -4.242 16 HA PHE 3 HA PHE 3 -13.990 -0.093 -5.910 17 HB2 PHE 3 HB3 PHE 3 -11.834 -0.725 -5.163 18 HB3 PHE 3 HB2 PHE 3 -11.669 0.990 -5.519 19 HD1 PHE 3 HD1 PHE 3 -11.111 -1.533 -3.136 20 HD2 PHE 3 HD2 PHE 3 -12.052 2.601 -3.490 21 HE1 PHE 3 HE1 PHE 3 -10.324 -1.161 -0.838 22 HE2 PHE 3 HE2 PHE 3 -11.266 2.979 -1.191 23 HZ PHE 3 HZ PHE 3 -10.406 1.095 0.137 24 H ILE 4 HN ILE 4 -13.965 -2.097 -4.455 25 HA ILE 4 HA ILE 4 -15.615 -1.552 -2.110 26 HB ILE 4 HB ILE 4 -16.529 -3.236 -3.574 27 HG12 ILE 4 HG12 ILE 4 -16.628 -5.200 -1.998 28 HG13 ILE 4 HG11 ILE 4 -15.415 -4.387 -1.015 29 HG21 ILE 4 HG21 ILE 4 -15.381 -5.379 -3.984 30 HG22 ILE 4 HG22 ILE 4 -13.933 -4.718 -3.224 31 HG23 ILE 4 HG23 ILE 4 -14.557 -3.999 -4.708 32 HD11 ILE 4 HD11 ILE 4 -18.156 -3.326 -1.664 33 HD12 ILE 4 HD12 ILE 4 -16.943 -2.517 -0.673 34 HD13 ILE 4 HD13 ILE 4 -17.648 -4.039 -0.132 35 HA PRO 5 HA PRO 5 -11.921 -1.725 0.510 36 HB2 PRO 5 HB3 PRO 5 -13.640 -2.321 2.709 37 HB3 PRO 5 HB2 PRO 5 -12.861 -0.787 2.328 38 HG2 PRO 5 HG3 PRO 5 -15.619 -1.697 1.761 39 HG3 PRO 5 HG2 PRO 5 -14.999 -0.052 1.988 40 HD2 PRO 5 HD3 PRO 5 -15.716 -0.948 -0.426 41 HD3 PRO 5 HD2 PRO 5 -14.325 0.132 -0.223 42 H ARG 6 HN ARG 6 -10.690 -3.431 0.726 43 HA ARG 6 HA ARG 6 -11.904 -6.068 1.222 44 HB2 ARG 6 HB3 ARG 6 -9.595 -5.384 -0.618 45 HB3 ARG 6 HB2 ARG 6 -10.131 -7.017 -0.246 46 HG2 ARG 6 HG3 ARG 6 -12.187 -6.699 -1.365 47 HG3 ARG 6 HG2 ARG 6 -11.932 -4.958 -1.483 48 HD2 ARG 6 HD3 ARG 6 -11.511 -5.957 -3.627 49 HD3 ARG 6 HD2 ARG 6 -9.988 -5.385 -2.947 50 HE ARG 6 HE ARG 6 -10.464 -8.127 -2.332 51 HH11 ARG 6 HH11 ARG 6 -9.364 -5.963 -4.848 52 HH12 ARG 6 HH12 ARG 6 -8.403 -7.169 -5.643 53 HH21 ARG 6 HH21 ARG 6 -9.215 -9.722 -3.369 54 HH22 ARG 6 HH22 ARG 6 -8.322 -9.322 -4.800 55 HA PRO 7 HA PRO 7 -9.086 -6.761 4.586 56 HB2 PRO 7 HB3 PRO 7 -7.941 -9.047 3.047 57 HB3 PRO 7 HB2 PRO 7 -8.540 -8.996 4.709 58 HG2 PRO 7 HG3 PRO 7 -9.999 -10.102 2.781 59 HG3 PRO 7 HG2 PRO 7 -10.760 -9.132 4.057 60 HD2 PRO 7 HD3 PRO 7 -10.214 -8.435 1.212 61 HD3 PRO 7 HD2 PRO 7 -11.570 -7.958 2.250 62 H ILE 8 HN ILE 8 -7.347 -5.688 5.046 63 HA ILE 8 HA ILE 8 -5.421 -4.957 3.025 64 HB ILE 8 HB ILE 8 -5.488 -4.321 5.979 65 HG12 ILE 8 HG12 ILE 8 -6.362 -2.615 3.642 66 HG13 ILE 8 HG11 ILE 8 -7.463 -3.506 4.685 67 HG21 ILE 8 HG21 ILE 8 -3.909 -3.059 3.734 68 HG22 ILE 8 HG22 ILE 8 -3.257 -4.081 5.015 69 HG23 ILE 8 HG23 ILE 8 -3.939 -2.504 5.409 70 HD11 ILE 8 HD11 ILE 8 -6.728 -2.181 6.592 71 HD12 ILE 8 HD12 ILE 8 -7.360 -1.164 5.297 72 HD13 ILE 8 HD13 ILE 8 -5.618 -1.293 5.549 73 H ASP 9 HN ASP 9 -3.766 -6.252 2.554 74 HA ASP 9 HA ASP 9 -2.497 -7.724 4.752 75 HB2 ASP 9 HB3 ASP 9 -3.975 -9.106 3.025 76 HB3 ASP 9 HB2 ASP 9 -2.513 -8.982 2.043 77 H THR 10 HN THR 10 -0.293 -8.436 4.177 78 HA THR 10 HA THR 10 1.341 -6.344 3.357 79 HB THR 10 HB THR 10 3.097 -8.214 3.166 80 HG1 THR 10 HG2 THR 10 0.761 -9.642 3.612 81 HG21 THR 10 HG21 THR 10 3.171 -8.436 5.624 82 HG22 THR 10 HG22 THR 10 1.545 -7.757 5.711 83 HG23 THR 10 HG23 THR 10 2.876 -6.775 5.104 84 H CYS 11 HN CYS 11 3.230 -7.138 1.702 85 HA CYS 11 HA CYS 11 2.277 -6.226 -0.741 86 HB2 CYS 11 HB3 CYS 11 4.592 -6.006 0.183 87 HB3 CYS 11 HB2 CYS 11 4.867 -7.686 -0.247 88 H ARG 12 HN ARG 12 1.767 -9.283 0.395 89 HA ARG 12 HA ARG 12 1.916 -10.875 -1.894 90 HB2 ARG 12 HB3 ARG 12 0.517 -12.344 -0.833 91 HB3 ARG 12 HB2 ARG 12 1.134 -11.432 0.531 92 HG2 ARG 12 HG3 ARG 12 -0.877 -10.208 0.736 93 HG3 ARG 12 HG2 ARG 12 -1.477 -10.831 -0.809 94 HD2 ARG 12 HD3 ARG 12 -2.554 -12.121 0.842 95 HD3 ARG 12 HD2 ARG 12 -1.257 -13.122 0.180 96 HE ARG 12 HE ARG 12 -0.961 -11.641 2.719 97 HH11 ARG 12 HH11 ARG 12 -0.648 -14.587 0.831 98 HH12 ARG 12 HH12 ARG 12 0.071 -15.484 2.128 99 HH21 ARG 12 HH21 ARG 12 -0.024 -12.833 4.416 100 HH22 ARG 12 HH22 ARG 12 0.429 -14.488 4.163 101 H LEU 13 HN LEU 13 -0.399 -8.385 -0.918 102 HA LEU 13 HA LEU 13 -1.526 -8.329 -3.603 103 HB2 LEU 13 HB3 LEU 13 -1.928 -6.689 -1.110 104 HB3 LEU 13 HB2 LEU 13 -2.455 -6.076 -2.661 105 HG LEU 13 HG LEU 13 -4.353 -7.033 -1.609 106 HD11 LEU 13 HD11 LEU 13 -3.375 -9.090 -3.576 107 HD12 LEU 13 HD12 LEU 13 -4.032 -7.517 -4.023 108 HD13 LEU 13 HD13 LEU 13 -5.048 -8.690 -3.184 109 HD21 LEU 13 HD21 LEU 13 -2.743 -9.543 -1.224 110 HD22 LEU 13 HD22 LEU 13 -4.438 -9.320 -0.793 111 HD23 LEU 13 HD23 LEU 13 -3.186 -8.402 0.043 112 H ARG 14 HN ARG 14 -0.488 -7.193 -5.220 113 HA ARG 14 HA ARG 14 1.690 -5.449 -4.362 114 HB2 ARG 14 HB3 ARG 14 2.518 -7.661 -4.821 115 HB3 ARG 14 HB2 ARG 14 1.682 -7.702 -6.363 116 HG2 ARG 14 HG3 ARG 14 3.898 -7.268 -6.885 117 HG3 ARG 14 HG2 ARG 14 3.051 -5.722 -7.004 118 HD2 ARG 14 HD3 ARG 14 3.839 -5.118 -4.765 119 HD3 ARG 14 HD2 ARG 14 4.728 -6.642 -4.676 120 HE ARG 14 HE ARG 14 5.358 -4.931 -6.936 121 HH11 ARG 14 HH11 ARG 14 6.220 -5.949 -3.702 122 HH12 ARG 14 HH12 ARG 14 7.873 -5.442 -3.848 123 HH21 ARG 14 HH21 ARG 14 7.506 -4.238 -7.127 124 HH22 ARG 14 HH22 ARG 14 8.602 -4.444 -5.799 125 H ASN 15 HN ASN 15 2.605 -4.162 -6.137 126 HA ASN 15 HA ASN 15 2.722 -2.994 -8.046 127 HB2 ASN 15 HB3 ASN 15 0.506 -4.840 -8.902 128 HB3 ASN 15 HB2 ASN 15 1.135 -3.569 -9.947 129 HD21 ASN 15 HD21 ASN 15 1.199 -6.450 -10.306 130 HD22 ASN 15 HD22 ASN 15 2.865 -6.878 -10.460 131 H GLY 16 HN GLY 16 1.856 -1.480 -6.242 132 HA2 GLY 16 HA3 GLY 16 -0.192 0.017 -7.740 133 HA3 GLY 16 HA2 GLY 16 -0.190 -0.001 -5.983 134 H ILE 17 HN ILE 17 2.309 0.459 -5.193 135 HA ILE 17 HA ILE 17 4.063 1.641 -7.062 136 HB ILE 17 HB ILE 17 2.710 3.573 -5.209 137 HG12 ILE 17 HG12 ILE 17 3.898 3.748 -7.995 138 HG13 ILE 17 HG11 ILE 17 2.189 3.664 -7.589 139 HG21 ILE 17 HG21 ILE 17 5.584 3.849 -6.085 140 HG22 ILE 17 HG22 ILE 17 5.045 3.506 -4.440 141 HG23 ILE 17 HG23 ILE 17 4.637 5.047 -5.200 142 HD11 ILE 17 HD11 ILE 17 4.028 5.933 -6.864 143 HD12 ILE 17 HD12 ILE 17 2.291 5.855 -6.581 144 HD13 ILE 17 HD13 ILE 17 2.911 5.916 -8.228 145 H CYS 18 HN CYS 18 6.129 1.169 -6.414 146 HA CYS 18 HA CYS 18 6.548 0.391 -3.626 147 HB2 CYS 18 HB3 CYS 18 7.429 -1.222 -5.117 148 HB3 CYS 18 HB2 CYS 18 8.135 0.005 -6.162 149 H PHE 19 HN PHE 19 7.441 1.760 -2.219 150 HA PHE 19 HA PHE 19 8.778 4.165 -3.264 151 HB2 PHE 19 HB3 PHE 19 7.206 3.587 -0.790 152 HB3 PHE 19 HB2 PHE 19 8.436 4.838 -0.732 153 HD1 PHE 19 HD1 PHE 19 5.174 3.888 -1.951 154 HD2 PHE 19 HD2 PHE 19 8.204 6.860 -2.092 155 HE1 PHE 19 HE1 PHE 19 3.555 5.484 -2.898 156 HE2 PHE 19 HE2 PHE 19 6.598 8.470 -3.033 157 HZ PHE 19 HZ PHE 19 4.267 7.783 -3.433 158 HA PRO 20 HA PRO 20 12.483 2.611 -1.219 159 HB2 PRO 20 HB3 PRO 20 14.095 4.647 -1.981 160 HB3 PRO 20 HB2 PRO 20 13.710 3.293 -3.050 161 HG2 PRO 20 HG3 PRO 20 12.566 6.054 -3.002 162 HG3 PRO 20 HG2 PRO 20 12.988 5.040 -4.392 163 HD2 PRO 20 HD3 PRO 20 10.434 5.355 -3.453 164 HD3 PRO 20 HD2 PRO 20 10.991 3.915 -4.330 165 H GLY 21 HN GLY 21 11.875 2.897 0.873 166 HA2 GLY 21 HA3 GLY 21 12.486 4.486 2.764 167 HA3 GLY 21 HA2 GLY 21 11.513 5.645 1.864 168 H ILE 22 HN ILE 22 9.573 5.908 2.792 169 HA ILE 22 HA ILE 22 8.018 3.529 3.484 170 HB ILE 22 HB ILE 22 7.185 4.699 5.570 171 HG12 ILE 22 HG12 ILE 22 9.750 6.269 5.239 172 HG13 ILE 22 HG11 ILE 22 8.128 6.927 5.039 173 HG21 ILE 22 HG21 ILE 22 10.042 3.753 5.524 174 HG22 ILE 22 HG22 ILE 22 8.605 2.743 5.672 175 HG23 ILE 22 HG23 ILE 22 9.023 3.877 6.957 176 HD11 ILE 22 HD11 ILE 22 9.055 7.492 7.210 177 HD12 ILE 22 HD12 ILE 22 9.265 5.780 7.580 178 HD13 ILE 22 HD13 ILE 22 7.645 6.448 7.379 179 H CYS 23 HN CYS 23 5.806 3.777 3.309 180 HA CYS 23 HA CYS 23 4.851 6.025 1.812 181 HB2 CYS 23 HB3 CYS 23 3.776 3.350 2.634 182 HB3 CYS 23 HB2 CYS 23 2.698 4.574 2.027 183 H ARG 24 HN ARG 24 3.250 7.435 2.453 184 HA ARG 24 HA ARG 24 2.200 7.168 5.167 185 HB2 ARG 24 HB3 ARG 24 2.591 9.630 5.531 186 HB3 ARG 24 HB2 ARG 24 4.036 8.626 5.528 187 HG2 ARG 24 HG3 ARG 24 4.585 9.331 3.294 188 HG3 ARG 24 HG2 ARG 24 3.069 10.224 3.163 189 HD2 ARG 24 HD3 ARG 24 5.255 10.804 5.156 190 HD3 ARG 24 HD2 ARG 24 5.011 11.673 3.640 191 HE ARG 24 HE ARG 24 2.605 11.758 5.017 192 HH11 ARG 24 HH11 ARG 24 5.878 12.907 5.471 193 HH12 ARG 24 HH12 ARG 24 5.397 14.287 6.405 194 HH21 ARG 24 HH21 ARG 24 1.966 13.562 6.231 195 HH22 ARG 24 HH22 ARG 24 3.163 14.663 6.839 196 H ARG 25 HN ARG 25 1.951 8.818 2.013 197 HA ARG 25 HA ARG 25 -0.798 8.485 1.763 198 HB2 ARG 25 HB3 ARG 25 -0.041 10.957 3.213 199 HB3 ARG 25 HB2 ARG 25 -1.187 11.168 1.902 200 HG2 ARG 25 HG3 ARG 25 -1.521 9.401 4.321 201 HG3 ARG 25 HG2 ARG 25 -2.362 10.914 3.988 202 HD2 ARG 25 HD3 ARG 25 -3.361 9.862 1.977 203 HD3 ARG 25 HD2 ARG 25 -2.588 8.343 2.427 204 HE ARG 25 HE ARG 25 -4.013 9.033 4.637 205 HH11 ARG 25 HH11 ARG 25 -4.812 8.592 1.257 206 HH12 ARG 25 HH12 ARG 25 -6.429 8.063 1.576 207 HH21 ARG 25 HH21 ARG 25 -6.156 8.324 5.056 208 HH22 ARG 25 HH22 ARG 25 -7.193 7.919 3.726 209 HA PRO 26 HA PRO 26 -2.229 8.698 0.626 210 HB2 PRO 26 HB3 PRO 26 -3.578 8.571 -1.624 211 HB3 PRO 26 HB2 PRO 26 -3.279 10.140 -0.883 212 HG2 PRO 26 HG3 PRO 26 -1.788 8.857 -3.126 213 HG3 PRO 26 HG2 PRO 26 -2.484 10.493 -3.051 214 HD2 PRO 26 HD3 PRO 26 0.133 9.929 -2.470 215 HD3 PRO 26 HD2 PRO 26 -0.752 11.300 -1.781 216 H TYR 27 HN TYR 27 -1.278 6.720 1.114 217 HA TYR 27 HA TYR 27 -1.252 4.648 -0.865 218 HB2 TYR 27 HB3 TYR 27 1.403 5.497 0.346 219 HB3 TYR 27 HB2 TYR 27 1.146 4.094 -0.684 220 HD1 TYR 27 HD1 TYR 27 0.875 4.359 -3.099 221 HD2 TYR 27 HD2 TYR 27 1.404 7.732 -0.564 222 HE1 TYR 27 HE1 TYR 27 1.259 5.785 -5.061 223 HE2 TYR 27 HE2 TYR 27 1.763 9.160 -2.506 224 HH TYR 27 HH TYR 27 2.548 8.907 -4.856 225 H TYR 28 HN TYR 28 -1.277 2.667 0.105 226 HA TYR 28 HA TYR 28 -1.081 2.709 3.023 227 HB2 TYR 28 HB3 TYR 28 -2.546 0.667 2.975 228 HB3 TYR 28 HB2 TYR 28 -3.328 2.149 2.448 229 HD1 TYR 28 HD1 TYR 28 -2.596 -1.247 1.640 230 HD2 TYR 28 HD2 TYR 28 -3.549 2.528 -0.107 231 HE1 TYR 28 HE1 TYR 28 -3.359 -2.379 -0.406 232 HE2 TYR 28 HE2 TYR 28 -4.304 1.396 -2.143 233 HH TYR 28 HH TYR 28 -4.019 -0.691 -3.313 234 H TRP 29 HN TRP 29 0.422 1.569 3.929 235 HA TRP 29 HA TRP 29 2.447 0.358 2.373 236 HB2 TRP 29 HB3 TRP 29 2.923 1.495 4.480 237 HB3 TRP 29 HB2 TRP 29 1.947 0.343 5.358 238 HD1 TRP 29 HD1 TRP 29 5.389 0.796 3.817 239 HE1 TRP 29 HE1 TRP 29 6.908 -1.134 4.562 240 HE3 TRP 29 HE3 TRP 29 1.885 -2.146 6.050 241 HZ2 TRP 29 HZ2 TRP 29 6.646 -3.597 5.925 242 HZ3 TRP 29 HZ3 TRP 29 2.591 -4.283 7.055 243 HH2 TRP 29 HH2 TRP 29 4.927 -4.992 6.985 244 H ILE 30 HN ILE 30 2.214 -1.519 1.396 245 HA ILE 30 HA ILE 30 1.008 -3.730 2.917 246 HB ILE 30 HB ILE 30 0.602 -4.776 0.610 247 HG12 ILE 30 HG12 ILE 30 0.845 -1.899 -0.293 248 HG13 ILE 30 HG11 ILE 30 2.052 -3.130 -0.635 249 HG21 ILE 30 HG21 ILE 30 -0.934 -2.281 1.311 250 HG22 ILE 30 HG22 ILE 30 -1.170 -3.868 2.044 251 HG23 ILE 30 HG23 ILE 30 -1.519 -3.627 0.332 252 HD11 ILE 30 HD11 ILE 30 0.377 -4.380 -1.907 253 HD12 ILE 30 HD12 ILE 30 0.624 -2.753 -2.543 254 HD13 ILE 30 HD13 ILE 30 -0.806 -3.112 -1.571 255 H GLY 31 HN GLY 31 2.876 -4.472 3.828 256 HA2 GLY 31 HA3 GLY 31 4.835 -5.657 3.980 257 HA3 GLY 31 HA2 GLY 31 4.612 -6.103 2.300 258 H THR 32 HN THR 32 7.073 -5.898 2.526 259 HA THR 32 HA THR 32 7.914 -3.092 2.267 260 HB THR 32 HB THR 32 10.248 -4.199 2.649 261 HG1 THR 32 HG2 THR 32 9.049 -6.011 4.318 262 HG21 THR 32 HG21 THR 32 8.240 -3.965 4.886 263 HG22 THR 32 HG22 THR 32 9.134 -2.625 4.171 264 HG23 THR 32 HG23 THR 32 9.995 -3.890 5.049 265 H CYS 33 HN CYS 33 9.739 -2.670 0.795 266 HA CYS 33 HA CYS 33 9.715 -4.424 -1.560 267 HB2 CYS 33 HB3 CYS 33 8.158 -2.498 -1.847 268 HB3 CYS 33 HB2 CYS 33 9.507 -1.397 -1.622 269 H ASN 34 HN ASN 34 11.455 -3.345 -3.174 270 HA ASN 34 HA ASN 34 13.639 -3.280 -3.693 271 HB2 ASN 34 HB3 ASN 34 14.351 -2.086 -1.026 272 HB3 ASN 34 HB2 ASN 34 15.083 -1.809 -2.594 273 HD21 ASN 34 HD21 ASN 34 14.163 0.030 -0.613 274 HD22 ASN 34 HD22 ASN 34 12.955 0.998 -1.351 275 H ASN 35 HN ASN 35 14.154 -3.650 -0.209 276 HA ASN 35 HA ASN 35 14.826 -6.443 -0.469 277 HB2 ASN 35 HB3 ASN 35 16.926 -4.365 0.188 278 HB3 ASN 35 HB2 ASN 35 17.100 -6.059 0.621 279 HD21 ASN 35 HD21 ASN 35 17.236 -3.721 -1.895 280 HD22 ASN 35 HD22 ASN 35 17.811 -4.774 -3.138 281 H GLY 36 HN GLY 36 12.934 -4.676 0.938 282 HA2 GLY 36 HA3 GLY 36 11.949 -5.353 3.036 283 HA3 GLY 36 HA2 GLY 36 13.569 -5.580 3.673 284 H ILE 37 HN ILE 37 14.270 -2.921 2.298 285 HA ILE 37 HA ILE 37 13.750 -1.346 4.634 286 HB ILE 37 HB ILE 37 14.944 -0.028 2.270 287 HG12 ILE 37 HG12 ILE 37 17.182 -1.193 3.165 288 HG13 ILE 37 HG11 ILE 37 16.057 -2.510 3.482 289 HG21 ILE 37 HG21 ILE 37 16.460 0.829 3.978 290 HG22 ILE 37 HG22 ILE 37 15.709 -0.231 5.168 291 HG23 ILE 37 HG23 ILE 37 14.772 1.066 4.427 292 HD11 ILE 37 HD11 ILE 37 16.485 -1.175 0.821 293 HD12 ILE 37 HD12 ILE 37 15.396 -2.522 1.143 294 HD13 ILE 37 HD13 ILE 37 17.137 -2.736 1.313 295 H GLY 38 HN GLY 38 13.146 -0.817 1.148 296 HA2 GLY 38 HA3 GLY 38 11.499 1.432 1.584 297 HA3 GLY 38 HA2 GLY 38 11.667 0.542 0.077 298 H SER 39 HN SER 39 9.278 1.387 0.416 299 HA SER 39 HA SER 39 7.775 -0.633 1.912 300 HB2 SER 39 HB3 SER 39 5.986 1.076 1.986 301 HB3 SER 39 HB2 SER 39 7.493 1.628 2.711 302 HG SER 39 HG SER 39 6.189 2.523 0.454 303 H CYS 40 HN CYS 40 6.688 -2.070 0.797 304 HA CYS 40 HA CYS 40 5.987 -1.622 -1.979 305 HB2 CYS 40 HB3 CYS 40 6.602 -3.899 -1.240 306 HB3 CYS 40 HB2 CYS 40 5.303 -3.877 -0.055 307 H CYS 41 HN CYS 41 4.323 -0.289 -2.364 308 HA CYS 41 HA CYS 41 2.005 -0.478 -0.586 309 HB2 CYS 41 HB3 CYS 41 3.023 2.070 -1.823 310 HB3 CYS 41 HB2 CYS 41 1.726 1.895 -0.645 311 H ALA 42 HN ALA 42 0.076 0.639 -1.640 312 HA ALA 42 HA ALA 42 0.331 0.753 -4.537 313 HB1 ALA 42 HB1 ALA 42 -1.950 -0.210 -4.777 314 HB2 ALA 42 HB2 ALA 42 -1.937 -0.563 -3.048 315 HB3 ALA 42 HB3 ALA 42 -0.770 -1.352 -4.120 316 H ARG 43 HN ARG 43 -0.686 2.400 -5.524 317 HA ARG 43 HA ARG 43 -0.995 4.710 -3.970 318 HB2 ARG 43 HB3 ARG 43 -0.268 4.781 -6.302 319 HB3 ARG 43 HB2 ARG 43 -1.835 4.190 -6.826 320 HG2 ARG 43 HG3 ARG 43 -1.714 6.710 -5.249 321 HG3 ARG 43 HG2 ARG 43 -1.234 6.737 -6.947 322 HD2 ARG 43 HD3 ARG 43 -3.412 5.699 -7.525 323 HD3 ARG 43 HD2 ARG 43 -3.882 5.822 -5.832 324 HE ARG 43 HE ARG 43 -3.132 8.369 -6.726 325 HH11 ARG 43 HH11 ARG 43 -5.629 5.978 -7.259 326 HH12 ARG 43 HH12 ARG 43 -6.839 7.145 -7.696 327 HH21 ARG 43 HH21 ARG 43 -4.728 9.915 -7.321 328 HH22 ARG 43 HH22 ARG 43 -6.318 9.373 -7.758 329 H GLY 44 HN GLY 44 -2.545 5.086 -2.617 330 HA2 GLY 44 HA3 GLY 44 -4.946 5.946 -2.869 331 HA3 GLY 44 HA2 GLY 44 -5.281 4.281 -3.310 332 H TRP 45 HN TRP 45 -6.685 4.022 -1.610 333 HA TRP 45 HA TRP 45 -5.343 3.431 0.902 334 HB2 TRP 45 HB3 TRP 45 -6.401 5.811 0.882 335 HB3 TRP 45 HB2 TRP 45 -7.936 4.950 0.970 336 HD1 TRP 45 HD1 TRP 45 -8.764 4.566 3.366 337 HE1 TRP 45 HE1 TRP 45 -7.663 4.424 5.690 338 HE3 TRP 45 HE3 TRP 45 -3.888 5.016 1.949 339 HZ2 TRP 45 HZ2 TRP 45 -5.050 4.494 6.774 340 HZ3 TRP 45 HZ3 TRP 45 -2.142 4.973 3.692 341 HH2 TRP 45 HH2 TRP 45 -2.717 4.718 6.049 342 H ARG 46 HN ARG 46 -5.947 1.451 1.499 343 HA ARG 46 HA ARG 46 -8.483 0.432 0.456 344 HB2 ARG 46 HB3 ARG 46 -6.737 -0.992 -0.147 345 HB3 ARG 46 HB2 ARG 46 -6.006 -0.949 1.450 346 HG2 ARG 46 HG3 ARG 46 -7.898 -2.234 2.327 347 HG3 ARG 46 HG2 ARG 46 -8.630 -2.252 0.723 348 HD2 ARG 46 HD3 ARG 46 -5.942 -3.439 1.414 349 HD3 ARG 46 HD2 ARG 46 -7.443 -4.354 1.275 350 HE ARG 46 HE ARG 46 -6.605 -2.789 -1.046 351 HH11 ARG 46 HH11 ARG 46 -6.834 -5.944 0.486 352 HH12 ARG 46 HH12 ARG 46 -6.611 -6.814 -0.999 353 HH21 ARG 46 HH21 ARG 46 -6.290 -3.934 -2.987 354 HH22 ARG 46 HH22 ARG 46 -6.299 -5.669 -2.976 355 H SER 47 HN SER 47 -10.096 0.077 1.657 356 HA SER 47 HA SER 47 -11.520 0.153 3.429 357 HB2 SER 47 HB3 SER 47 -9.350 -1.546 4.667 358 HB3 SER 47 HB2 SER 47 -11.056 -1.533 5.117 359 HG SER 47 HG SER 47 -10.184 -3.204 3.534 Start of MODEL 10 1 H PCA 1 HT2 PCA 1 -13.114 9.098 1.430 2 HA PCA 1 HA PCA 1 -12.896 7.147 0.607 3 HB2 PCA 1 HB2 PCA 1 -13.516 5.421 1.945 4 HB3 PCA 1 HB3 PCA 1 -15.229 5.751 1.662 5 HG2 PCA 1 HG2 PCA 1 -13.532 6.619 3.888 6 HG3 PCA 1 HG3 PCA 1 -15.310 6.691 3.737 7 HT1 PCA 1 HT1 PCA 1 -14.738 9.141 1.133 8 HA PRO 2 HA PRO 2 -15.930 7.559 -2.727 9 HB2 PRO 2 HB3 PRO 2 -14.086 6.189 -4.453 10 HB3 PRO 2 HB2 PRO 2 -14.475 7.913 -4.434 11 HG2 PRO 2 HG3 PRO 2 -12.026 6.853 -3.736 12 HG3 PRO 2 HG2 PRO 2 -12.629 8.434 -3.211 13 HD2 PRO 2 HD3 PRO 2 -12.582 5.834 -1.732 14 HD3 PRO 2 HD2 PRO 2 -12.286 7.482 -1.136 15 H PHE 3 HN PHE 3 -14.252 4.861 -1.498 16 HA PHE 3 HA PHE 3 -16.482 3.094 -2.152 17 HB2 PHE 3 HB3 PHE 3 -15.052 1.297 -2.782 18 HB3 PHE 3 HB2 PHE 3 -14.399 2.690 -3.637 19 HD1 PHE 3 HD1 PHE 3 -13.693 0.024 -1.414 20 HD2 PHE 3 HD2 PHE 3 -12.450 3.942 -2.510 21 HE1 PHE 3 HE1 PHE 3 -11.529 -0.361 -0.321 22 HE2 PHE 3 HE2 PHE 3 -10.277 3.561 -1.420 23 HZ PHE 3 HZ PHE 3 -9.826 1.408 -0.314 24 H ILE 4 HN ILE 4 -16.539 1.256 -0.536 25 HA ILE 4 HA ILE 4 -15.667 2.233 2.048 26 HB ILE 4 HB ILE 4 -17.936 1.399 1.945 27 HG12 ILE 4 HG12 ILE 4 -17.794 -0.433 3.713 28 HG13 ILE 4 HG11 ILE 4 -16.046 -0.316 3.550 29 HG21 ILE 4 HG21 ILE 4 -18.445 -0.970 1.534 30 HG22 ILE 4 HG22 ILE 4 -16.756 -1.237 1.093 31 HG23 ILE 4 HG23 ILE 4 -17.765 -0.166 0.119 32 HD11 ILE 4 HD11 ILE 4 -16.805 0.975 5.437 33 HD12 ILE 4 HD12 ILE 4 -17.909 1.884 4.408 34 HD13 ILE 4 HD13 ILE 4 -16.171 2.050 4.195 35 HA PRO 5 HA PRO 5 -11.791 0.025 1.736 36 HB2 PRO 5 HB3 PRO 5 -11.325 0.210 4.490 37 HB3 PRO 5 HB2 PRO 5 -10.788 1.357 3.259 38 HG2 PRO 5 HG3 PRO 5 -13.188 1.470 5.033 39 HG3 PRO 5 HG2 PRO 5 -12.112 2.780 4.514 40 HD2 PRO 5 HD3 PRO 5 -14.497 2.503 3.400 41 HD3 PRO 5 HD2 PRO 5 -13.092 2.907 2.398 42 H ARG 6 HN ARG 6 -11.355 -2.044 1.809 43 HA ARG 6 HA ARG 6 -12.975 -3.807 3.522 44 HB2 ARG 6 HB3 ARG 6 -11.516 -4.380 0.930 45 HB3 ARG 6 HB2 ARG 6 -12.467 -5.544 1.833 46 HG2 ARG 6 HG3 ARG 6 -14.480 -4.496 1.306 47 HG3 ARG 6 HG2 ARG 6 -13.678 -2.997 0.834 48 HD2 ARG 6 HD3 ARG 6 -14.496 -4.259 -1.105 49 HD3 ARG 6 HD2 ARG 6 -12.744 -4.077 -1.120 50 HE ARG 6 HE ARG 6 -13.719 -6.547 0.033 51 HH11 ARG 6 HH11 ARG 6 -12.562 -4.897 -2.826 52 HH12 ARG 6 HH12 ARG 6 -12.145 -6.358 -3.660 53 HH21 ARG 6 HH21 ARG 6 -13.169 -8.481 -1.064 54 HH22 ARG 6 HH22 ARG 6 -12.501 -8.401 -2.663 55 HA PRO 7 HA PRO 7 -9.491 -5.576 5.762 56 HB2 PRO 7 HB3 PRO 7 -9.711 -7.964 3.966 57 HB3 PRO 7 HB2 PRO 7 -9.501 -7.897 5.720 58 HG2 PRO 7 HG3 PRO 7 -11.891 -8.400 4.665 59 HG3 PRO 7 HG2 PRO 7 -11.729 -7.373 6.101 60 HD2 PRO 7 HD3 PRO 7 -12.368 -6.623 3.309 61 HD3 PRO 7 HD2 PRO 7 -12.821 -5.822 4.823 62 H ILE 8 HN ILE 8 -7.411 -5.182 5.553 63 HA ILE 8 HA ILE 8 -6.331 -4.402 3.061 64 HB ILE 8 HB ILE 8 -4.988 -4.793 5.730 65 HG12 ILE 8 HG12 ILE 8 -6.018 -2.312 4.336 66 HG13 ILE 8 HG11 ILE 8 -6.733 -3.079 5.748 67 HG21 ILE 8 HG21 ILE 8 -3.355 -4.913 3.914 68 HG22 ILE 8 HG22 ILE 8 -3.163 -3.421 4.836 69 HG23 ILE 8 HG23 ILE 8 -3.957 -3.390 3.262 70 HD11 ILE 8 HD11 ILE 8 -4.011 -1.804 5.634 71 HD12 ILE 8 HD12 ILE 8 -4.760 -2.536 7.053 72 HD13 ILE 8 HD13 ILE 8 -5.463 -1.089 6.333 73 H ASP 9 HN ASP 9 -5.545 -5.609 1.546 74 HA ASP 9 HA ASP 9 -4.661 -8.319 1.984 75 HB2 ASP 9 HB3 ASP 9 -4.678 -6.556 -0.476 76 HB3 ASP 9 HB2 ASP 9 -4.075 -8.208 -0.473 77 H THR 10 HN THR 10 -2.515 -9.014 1.133 78 HA THR 10 HA THR 10 -0.415 -7.210 2.035 79 HB THR 10 HB THR 10 1.095 -9.139 1.482 80 HG1 THR 10 HG2 THR 10 -1.035 -10.901 1.347 81 HG21 THR 10 HG21 THR 10 0.219 -8.813 3.742 82 HG22 THR 10 HG22 THR 10 0.366 -10.530 3.362 83 HG23 THR 10 HG23 THR 10 -1.215 -9.749 3.326 84 H CYS 11 HN CYS 11 1.679 -7.541 0.379 85 HA CYS 11 HA CYS 11 1.269 -6.305 -2.058 86 HB2 CYS 11 HB3 CYS 11 3.285 -8.497 -1.544 87 HB3 CYS 11 HB2 CYS 11 3.370 -7.280 -2.807 88 H ARG 12 HN ARG 12 0.031 -9.261 -1.118 89 HA ARG 12 HA ARG 12 -0.592 -10.925 -3.070 90 HB2 ARG 12 HB3 ARG 12 -1.799 -10.233 -0.833 91 HB3 ARG 12 HB2 ARG 12 -2.840 -9.326 -1.916 92 HG2 ARG 12 HG3 ARG 12 -2.960 -11.671 -3.141 93 HG3 ARG 12 HG2 ARG 12 -2.578 -12.222 -1.503 94 HD2 ARG 12 HD3 ARG 12 -4.479 -11.044 -0.614 95 HD3 ARG 12 HD2 ARG 12 -4.818 -10.359 -2.201 96 HE ARG 12 HE ARG 12 -4.844 -13.138 -2.447 97 HH11 ARG 12 HH11 ARG 12 -6.706 -10.653 -0.799 98 HH12 ARG 12 HH12 ARG 12 -8.195 -11.547 -0.905 99 HH21 ARG 12 HH21 ARG 12 -6.809 -14.292 -2.564 100 HH22 ARG 12 HH22 ARG 12 -8.251 -13.601 -1.896 101 H LEU 13 HN LEU 13 -1.715 -7.577 -2.959 102 HA LEU 13 HA LEU 13 -2.247 -7.667 -5.847 103 HB2 LEU 13 HB3 LEU 13 -3.460 -6.016 -3.636 104 HB3 LEU 13 HB2 LEU 13 -3.590 -5.547 -5.315 105 HG LEU 13 HG LEU 13 -4.742 -7.724 -5.767 106 HD11 LEU 13 HD11 LEU 13 -3.929 -9.011 -3.881 107 HD12 LEU 13 HD12 LEU 13 -5.692 -8.933 -3.857 108 HD13 LEU 13 HD13 LEU 13 -4.749 -7.922 -2.760 109 HD21 LEU 13 HD21 LEU 13 -6.872 -7.016 -4.807 110 HD22 LEU 13 HD22 LEU 13 -5.981 -5.651 -5.479 111 HD23 LEU 13 HD23 LEU 13 -6.021 -5.904 -3.734 112 H ARG 14 HN ARG 14 -0.562 -6.767 -6.919 113 HA ARG 14 HA ARG 14 0.842 -4.592 -5.562 114 HB2 ARG 14 HB3 ARG 14 1.899 -6.902 -7.069 115 HB3 ARG 14 HB2 ARG 14 2.793 -5.402 -7.112 116 HG2 ARG 14 HG3 ARG 14 1.914 -6.659 -4.549 117 HG3 ARG 14 HG2 ARG 14 3.433 -7.094 -5.342 118 HD2 ARG 14 HD3 ARG 14 3.931 -5.413 -3.760 119 HD3 ARG 14 HD2 ARG 14 3.994 -4.674 -5.355 120 HE ARG 14 HE ARG 14 1.495 -4.390 -3.915 121 HH11 ARG 14 HH11 ARG 14 4.642 -3.030 -4.558 122 HH12 ARG 14 HH12 ARG 14 4.138 -1.388 -4.302 123 HH21 ARG 14 HH21 ARG 14 0.798 -2.231 -3.615 124 HH22 ARG 14 HH22 ARG 14 1.955 -0.941 -3.723 125 H ASN 15 HN ASN 15 2.525 -3.785 -7.475 126 HA ASN 15 HA ASN 15 2.709 -2.247 -9.104 127 HB2 ASN 15 HB3 ASN 15 1.443 -4.033 -10.455 128 HB3 ASN 15 HB2 ASN 15 0.022 -3.036 -10.173 129 HD21 ASN 15 HD21 ASN 15 3.167 -3.169 -11.678 130 HD22 ASN 15 HD22 ASN 15 2.903 -1.873 -12.793 131 H GLY 16 HN GLY 16 1.703 -1.558 -6.573 132 HA2 GLY 16 HA3 GLY 16 -0.200 0.570 -7.305 133 HA3 GLY 16 HA2 GLY 16 0.125 0.015 -5.665 134 H ILE 17 HN ILE 17 2.652 0.255 -5.142 135 HA ILE 17 HA ILE 17 4.301 1.640 -6.916 136 HB ILE 17 HB ILE 17 3.216 3.333 -4.700 137 HG12 ILE 17 HG12 ILE 17 4.294 3.841 -7.482 138 HG13 ILE 17 HG11 ILE 17 2.609 3.866 -6.977 139 HG21 ILE 17 HG21 ILE 17 5.542 3.055 -4.017 140 HG22 ILE 17 HG22 ILE 17 5.243 4.692 -4.599 141 HG23 ILE 17 HG23 ILE 17 6.079 3.529 -5.628 142 HD11 ILE 17 HD11 ILE 17 3.077 5.832 -5.587 143 HD12 ILE 17 HD12 ILE 17 3.428 6.109 -7.292 144 HD13 ILE 17 HD13 ILE 17 4.744 5.817 -6.156 145 H CYS 18 HN CYS 18 6.517 1.318 -6.338 146 HA CYS 18 HA CYS 18 6.972 0.076 -3.698 147 HB2 CYS 18 HB3 CYS 18 7.767 -1.406 -5.392 148 HB3 CYS 18 HB2 CYS 18 8.521 -0.094 -6.292 149 H PHE 19 HN PHE 19 7.542 1.591 -2.256 150 HA PHE 19 HA PHE 19 8.965 3.963 -3.194 151 HB2 PHE 19 HB3 PHE 19 7.521 3.276 -0.650 152 HB3 PHE 19 HB2 PHE 19 8.594 4.657 -0.736 153 HD1 PHE 19 HD1 PHE 19 5.301 3.480 -1.206 154 HD2 PHE 19 HD2 PHE 19 8.079 6.408 -2.553 155 HE1 PHE 19 HE1 PHE 19 3.441 4.871 -2.014 156 HE2 PHE 19 HE2 PHE 19 6.224 7.801 -3.363 157 HZ PHE 19 HZ PHE 19 3.901 7.037 -3.090 158 HA PRO 20 HA PRO 20 12.524 2.743 -0.766 159 HB2 PRO 20 HB3 PRO 20 14.190 4.658 -1.720 160 HB3 PRO 20 HB2 PRO 20 13.926 3.127 -2.561 161 HG2 PRO 20 HG3 PRO 20 12.941 5.832 -3.223 162 HG3 PRO 20 HG2 PRO 20 13.225 4.447 -4.285 163 HD2 PRO 20 HD3 PRO 20 10.736 5.344 -3.255 164 HD3 PRO 20 HD2 PRO 20 11.045 3.860 -4.175 165 H GLY 21 HN GLY 21 11.644 3.383 1.151 166 HA2 GLY 21 HA3 GLY 21 11.939 5.352 2.762 167 HA3 GLY 21 HA2 GLY 21 11.045 6.239 1.531 168 H ILE 22 HN ILE 22 9.013 6.571 2.269 169 HA ILE 22 HA ILE 22 7.579 4.257 3.377 170 HB ILE 22 HB ILE 22 6.494 5.787 5.046 171 HG12 ILE 22 HG12 ILE 22 8.835 7.594 4.399 172 HG13 ILE 22 HG11 ILE 22 7.169 7.909 3.930 173 HG21 ILE 22 HG21 ILE 22 8.169 4.168 5.699 174 HG22 ILE 22 HG22 ILE 22 8.333 5.644 6.653 175 HG23 ILE 22 HG23 ILE 22 9.455 5.318 5.331 176 HD11 ILE 22 HD11 ILE 22 7.793 9.192 5.890 177 HD12 ILE 22 HD12 ILE 22 8.200 7.707 6.748 178 HD13 ILE 22 HD13 ILE 22 6.530 8.026 6.281 179 H CYS 23 HN CYS 23 5.420 4.165 2.998 180 HA CYS 23 HA CYS 23 4.179 6.050 1.188 181 HB2 CYS 23 HB3 CYS 23 2.218 4.360 2.013 182 HB3 CYS 23 HB2 CYS 23 3.286 4.004 0.668 183 H ARG 24 HN ARG 24 3.081 7.815 1.948 184 HA ARG 24 HA ARG 24 2.023 7.583 4.683 185 HB2 ARG 24 HB3 ARG 24 2.421 10.080 4.853 186 HB3 ARG 24 HB2 ARG 24 3.846 9.052 4.872 187 HG2 ARG 24 HG3 ARG 24 4.150 9.530 2.452 188 HG3 ARG 24 HG2 ARG 24 2.817 10.679 2.558 189 HD2 ARG 24 HD3 ARG 24 5.414 10.789 4.083 190 HD3 ARG 24 HD2 ARG 24 4.942 11.833 2.742 191 HE ARG 24 HE ARG 24 2.980 12.343 4.430 192 HH11 ARG 24 HH11 ARG 24 6.409 12.025 5.046 193 HH12 ARG 24 HH12 ARG 24 6.401 13.120 6.390 194 HH21 ARG 24 HH21 ARG 24 2.953 13.770 6.209 195 HH22 ARG 24 HH22 ARG 24 4.427 14.110 7.058 196 H ARG 25 HN ARG 25 1.535 9.156 1.508 197 HA ARG 25 HA ARG 25 -1.107 8.399 1.333 198 HB2 ARG 25 HB3 ARG 25 -0.815 10.841 2.894 199 HB3 ARG 25 HB2 ARG 25 -1.859 11.050 1.494 200 HG2 ARG 25 HG3 ARG 25 -3.214 9.147 2.216 201 HG3 ARG 25 HG2 ARG 25 -2.167 8.937 3.620 202 HD2 ARG 25 HD3 ARG 25 -2.771 11.204 4.367 203 HD3 ARG 25 HD2 ARG 25 -3.867 11.342 2.997 204 HE ARG 25 HE ARG 25 -4.238 9.168 4.933 205 HH11 ARG 25 HH11 ARG 25 -5.396 12.112 3.426 206 HH12 ARG 25 HH12 ARG 25 -6.983 11.985 4.117 207 HH21 ARG 25 HH21 ARG 25 -6.336 9.000 5.830 208 HH22 ARG 25 HH22 ARG 25 -7.512 10.227 5.487 209 HA PRO 26 HA PRO 26 -2.617 8.379 0.288 210 HB2 PRO 26 HB3 PRO 26 -3.464 7.854 -2.406 211 HB3 PRO 26 HB2 PRO 26 -4.296 8.823 -1.186 212 HG2 PRO 26 HG3 PRO 26 -3.227 9.854 -3.488 213 HG3 PRO 26 HG2 PRO 26 -3.435 10.790 -1.992 214 HD2 PRO 26 HD3 PRO 26 -0.970 9.436 -3.053 215 HD3 PRO 26 HD2 PRO 26 -1.141 11.051 -2.324 216 H TYR 27 HN TYR 27 -1.287 6.657 0.859 217 HA TYR 27 HA TYR 27 -1.081 4.461 -0.969 218 HB2 TYR 27 HB3 TYR 27 1.498 5.635 0.085 219 HB3 TYR 27 HB2 TYR 27 1.341 4.176 -0.869 220 HD1 TYR 27 HD1 TYR 27 0.826 4.306 -3.271 221 HD2 TYR 27 HD2 TYR 27 1.476 7.807 -0.942 222 HE1 TYR 27 HE1 TYR 27 1.195 5.596 -5.328 223 HE2 TYR 27 HE2 TYR 27 1.844 9.103 -2.997 224 HH TYR 27 HH TYR 27 1.071 7.919 -6.090 225 H TYR 28 HN TYR 28 -1.289 2.677 0.199 226 HA TYR 28 HA TYR 28 -0.796 2.923 3.077 227 HB2 TYR 28 HB3 TYR 28 -2.392 1.030 3.373 228 HB3 TYR 28 HB2 TYR 28 -3.124 2.491 2.722 229 HD1 TYR 28 HD1 TYR 28 -2.508 -1.034 2.228 230 HD2 TYR 28 HD2 TYR 28 -3.670 2.556 0.243 231 HE1 TYR 28 HE1 TYR 28 -3.479 -2.358 0.401 232 HE2 TYR 28 HE2 TYR 28 -4.639 1.232 -1.588 233 HH TYR 28 HH TYR 28 -4.405 -1.012 -2.575 234 H TRP 29 HN TRP 29 0.617 1.741 4.017 235 HA TRP 29 HA TRP 29 2.547 0.287 2.601 236 HB2 TRP 29 HB3 TRP 29 2.929 1.515 4.720 237 HB3 TRP 29 HB2 TRP 29 1.954 0.338 5.569 238 HD1 TRP 29 HD1 TRP 29 5.423 0.843 4.077 239 HE1 TRP 29 HE1 TRP 29 6.956 -1.043 4.899 240 HE3 TRP 29 HE3 TRP 29 1.925 -2.115 6.315 241 HZ2 TRP 29 HZ2 TRP 29 6.717 -3.481 6.308 242 HZ3 TRP 29 HZ3 TRP 29 2.653 -4.216 7.380 243 HH2 TRP 29 HH2 TRP 29 5.002 -4.881 7.371 244 H ILE 30 HN ILE 30 2.197 -1.618 1.686 245 HA ILE 30 HA ILE 30 0.994 -3.729 3.349 246 HB ILE 30 HB ILE 30 0.615 -4.903 1.082 247 HG12 ILE 30 HG12 ILE 30 0.860 -2.038 0.104 248 HG13 ILE 30 HG11 ILE 30 1.914 -3.372 -0.343 249 HG21 ILE 30 HG21 ILE 30 -1.022 -2.494 1.822 250 HG22 ILE 30 HG22 ILE 30 -1.185 -4.123 2.480 251 HG23 ILE 30 HG23 ILE 30 -1.552 -3.817 0.782 252 HD11 ILE 30 HD11 ILE 30 0.412 -2.968 -2.138 253 HD12 ILE 30 HD12 ILE 30 -0.984 -3.005 -1.053 254 HD13 ILE 30 HD13 ILE 30 -0.068 -4.485 -1.370 255 H GLY 31 HN GLY 31 2.938 -4.393 4.266 256 HA2 GLY 31 HA3 GLY 31 4.908 -5.577 4.392 257 HA3 GLY 31 HA2 GLY 31 4.605 -6.117 2.753 258 H THR 32 HN THR 32 6.967 -5.950 2.548 259 HA THR 32 HA THR 32 7.920 -3.173 2.317 260 HB THR 32 HB THR 32 10.226 -4.489 2.492 261 HG1 THR 32 HG2 THR 32 9.605 -6.550 2.797 262 HG21 THR 32 HG21 THR 32 10.251 -3.988 4.882 263 HG22 THR 32 HG22 THR 32 8.495 -3.831 4.878 264 HG23 THR 32 HG23 THR 32 9.486 -2.684 3.975 265 H CYS 33 HN CYS 33 9.534 -2.734 0.714 266 HA CYS 33 HA CYS 33 9.654 -4.612 -1.546 267 HB2 CYS 33 HB3 CYS 33 8.135 -2.676 -2.046 268 HB3 CYS 33 HB2 CYS 33 9.491 -1.590 -1.765 269 H ASN 34 HN ASN 34 11.626 -3.457 -3.062 270 HA ASN 34 HA ASN 34 13.898 -3.259 -3.181 271 HB2 ASN 34 HB3 ASN 34 13.411 -1.801 -0.573 272 HB3 ASN 34 HB2 ASN 34 15.000 -1.906 -1.314 273 HD21 ASN 34 HD21 ASN 34 13.303 0.428 -0.766 274 HD22 ASN 34 HD22 ASN 34 13.101 1.213 -2.286 275 H ASN 35 HN ASN 35 15.805 -3.366 -0.960 276 HA ASN 35 HA ASN 35 15.450 -6.201 -0.242 277 HB2 ASN 35 HB3 ASN 35 18.013 -4.624 -0.565 278 HB3 ASN 35 HB2 ASN 35 17.919 -6.308 -0.063 279 HD21 ASN 35 HD21 ASN 35 17.690 -4.086 -2.688 280 HD22 ASN 35 HD22 ASN 35 17.623 -5.267 -3.952 281 H GLY 36 HN GLY 36 14.272 -5.726 1.663 282 HA2 GLY 36 HA3 GLY 36 14.492 -5.999 4.001 283 HA3 GLY 36 HA2 GLY 36 16.067 -5.215 3.918 284 H ILE 37 HN ILE 37 15.641 -2.965 2.680 285 HA ILE 37 HA ILE 37 14.010 -1.313 4.359 286 HB ILE 37 HB ILE 37 14.643 0.390 2.513 287 HG12 ILE 37 HG12 ILE 37 16.638 -1.784 1.897 288 HG13 ILE 37 HG11 ILE 37 15.274 -1.359 0.867 289 HG21 ILE 37 HG21 ILE 37 15.616 0.416 4.722 290 HG22 ILE 37 HG22 ILE 37 16.869 0.709 3.516 291 HG23 ILE 37 HG23 ILE 37 16.728 -0.877 4.272 292 HD11 ILE 37 HD11 ILE 37 17.379 -0.373 0.113 293 HD12 ILE 37 HD12 ILE 37 17.501 0.492 1.644 294 HD13 ILE 37 HD13 ILE 37 16.177 0.846 0.536 295 H GLY 38 HN GLY 38 13.138 0.463 2.181 296 HA2 GLY 38 HA3 GLY 38 11.715 0.675 0.399 297 HA3 GLY 38 HA2 GLY 38 11.777 -1.067 0.194 298 H SER 39 HN SER 39 9.488 0.470 -0.147 299 HA SER 39 HA SER 39 7.849 -0.833 1.877 300 HB2 SER 39 HB3 SER 39 6.385 1.295 1.786 301 HB3 SER 39 HB2 SER 39 7.861 1.311 2.736 302 HG SER 39 HG SER 39 8.559 2.856 1.556 303 H CYS 40 HN CYS 40 6.722 -2.220 0.856 304 HA CYS 40 HA CYS 40 5.744 -1.899 -1.835 305 HB2 CYS 40 HB3 CYS 40 6.367 -4.111 -1.003 306 HB3 CYS 40 HB2 CYS 40 5.285 -3.948 0.367 307 H CYS 41 HN CYS 41 4.304 -0.189 -1.934 308 HA CYS 41 HA CYS 41 2.026 -0.289 -0.071 309 HB2 CYS 41 HB3 CYS 41 3.357 2.286 -0.922 310 HB3 CYS 41 HB2 CYS 41 2.146 2.059 0.337 311 H ALA 42 HN ALA 42 0.040 0.332 -0.975 312 HA ALA 42 HA ALA 42 0.154 0.480 -3.898 313 HB1 ALA 42 HB1 ALA 42 -1.099 -1.397 -2.900 314 HB2 ALA 42 HB2 ALA 42 -2.088 -0.372 -3.939 315 HB3 ALA 42 HB3 ALA 42 -2.214 -0.229 -2.184 316 H ARG 43 HN ARG 43 -0.755 2.044 -5.072 317 HA ARG 43 HA ARG 43 -1.088 4.589 -3.951 318 HB2 ARG 43 HB3 ARG 43 -0.470 3.994 -6.341 319 HB3 ARG 43 HB2 ARG 43 -2.173 3.667 -6.614 320 HG2 ARG 43 HG3 ARG 43 -1.218 6.319 -5.598 321 HG3 ARG 43 HG2 ARG 43 -1.256 5.937 -7.314 322 HD2 ARG 43 HD3 ARG 43 -3.660 5.508 -7.167 323 HD3 ARG 43 HD2 ARG 43 -3.618 5.877 -5.443 324 HE ARG 43 HE ARG 43 -2.542 8.045 -6.860 325 HH11 ARG 43 HH11 ARG 43 -5.613 6.440 -6.378 326 HH12 ARG 43 HH12 ARG 43 -6.549 7.879 -6.610 327 HH21 ARG 43 HH21 ARG 43 -3.757 9.942 -7.166 328 HH22 ARG 43 HH22 ARG 43 -5.488 9.886 -7.055 329 H GLY 44 HN GLY 44 -2.617 5.056 -2.581 330 HA2 GLY 44 HA3 GLY 44 -5.103 5.695 -2.799 331 HA3 GLY 44 HA2 GLY 44 -5.315 3.955 -2.951 332 H TRP 45 HN TRP 45 -6.703 4.509 -0.996 333 HA TRP 45 HA TRP 45 -5.008 4.105 1.352 334 HB2 TRP 45 HB3 TRP 45 -5.875 6.524 1.098 335 HB3 TRP 45 HB2 TRP 45 -7.448 5.850 1.529 336 HD1 TRP 45 HD1 TRP 45 -7.915 6.055 4.048 337 HE1 TRP 45 HE1 TRP 45 -6.484 6.021 6.193 338 HE3 TRP 45 HE3 TRP 45 -3.332 5.399 1.923 339 HZ2 TRP 45 HZ2 TRP 45 -3.753 5.735 6.875 340 HZ3 TRP 45 HZ3 TRP 45 -1.355 5.259 3.390 341 HH2 TRP 45 HH2 TRP 45 -1.565 5.425 5.816 342 H ARG 46 HN ARG 46 -5.515 2.236 2.212 343 HA ARG 46 HA ARG 46 -8.337 1.410 2.171 344 HB2 ARG 46 HB3 ARG 46 -6.534 -0.027 1.061 345 HB3 ARG 46 HB2 ARG 46 -5.984 -0.380 2.692 346 HG2 ARG 46 HG3 ARG 46 -8.236 -1.240 3.232 347 HG3 ARG 46 HG2 ARG 46 -8.691 -0.997 1.543 348 HD2 ARG 46 HD3 ARG 46 -6.441 -2.730 2.514 349 HD3 ARG 46 HD2 ARG 46 -8.030 -3.315 2.033 350 HE ARG 46 HE ARG 46 -6.514 -1.801 0.058 351 HH11 ARG 46 HH11 ARG 46 -7.659 -4.886 1.234 352 HH12 ARG 46 HH12 ARG 46 -7.195 -5.760 -0.200 353 HH21 ARG 46 HH21 ARG 46 -5.869 -2.927 -1.818 354 HH22 ARG 46 HH22 ARG 46 -6.190 -4.631 -1.940 355 H SER 47 HN SER 47 -9.300 0.720 4.035 356 HA SER 47 HA SER 47 -9.836 0.668 6.222 357 HB2 SER 47 HB3 SER 47 -7.960 -0.993 6.276 358 HB3 SER 47 HB2 SER 47 -6.878 0.319 6.738 359 HG SER 47 HG SER 47 -7.978 0.560 8.642
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