NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653877 | 7at7 | 34568 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 28 HT1 ARG 28 15.558 14.229 -0.668 2 H2 ARG 28 HT2 ARG 28 16.175 13.690 0.813 3 H3 ARG 28 HT3 ARG 28 15.004 14.910 0.779 4 HA ARG 28 HA ARG 28 14.078 12.768 1.439 5 HB2 ARG 28 HB2 ARG 28 12.227 12.749 -0.250 6 HB3 ARG 28 HB1 ARG 28 12.575 14.334 0.428 7 HG2 ARG 28 HG2 ARG 28 13.770 14.974 -1.563 8 HG3 ARG 28 HG1 ARG 28 13.578 13.354 -2.237 9 HD2 ARG 28 HD2 ARG 28 11.973 14.978 -3.174 10 HD3 ARG 28 HD1 ARG 28 11.184 13.638 -2.344 11 HE ARG 28 HE ARG 28 11.554 15.831 -0.587 12 HH11 ARG 28 HH11 ARG 28 9.591 14.743 -3.254 13 HH12 ARG 28 HH12 ARG 28 8.214 15.687 -2.792 14 HH21 ARG 28 HH21 ARG 28 9.743 17.074 0.028 15 HH22 ARG 28 HH22 ARG 28 8.300 17.012 -0.928 16 H ARG 29 HN ARG 29 16.503 12.450 -0.612 17 HA ARG 29 HA ARG 29 15.596 9.904 -1.763 18 HB2 ARG 29 HB2 ARG 29 16.557 11.607 -3.308 19 HB3 ARG 29 HB1 ARG 29 18.076 11.497 -2.431 20 HG2 ARG 29 HG2 ARG 29 18.323 9.180 -3.074 21 HG3 ARG 29 HG1 ARG 29 16.749 9.211 -3.873 22 HD2 ARG 29 HD2 ARG 29 17.594 10.949 -5.405 23 HD3 ARG 29 HD1 ARG 29 19.174 10.836 -4.630 24 HE ARG 29 HE ARG 29 18.680 8.291 -5.397 25 HH11 ARG 29 HH11 ARG 29 18.613 11.347 -7.067 26 HH12 ARG 29 HH12 ARG 29 19.055 10.668 -8.598 27 HH21 ARG 29 HH21 ARG 29 19.264 7.386 -7.408 28 HH22 ARG 29 HH22 ARG 29 19.426 8.416 -8.792 29 H CYS 30 HN CYS 30 16.422 8.013 -1.106 30 HA CYS 30 HA CYS 30 18.793 8.050 0.634 31 HB2 CYS 30 HB2 CYS 30 16.784 7.872 2.042 32 HB3 CYS 30 HB1 CYS 30 16.263 6.464 1.124 33 HG CYS 30 HG CYS 30 18.807 5.145 1.886 34 H LEU 31 HN LEU 31 19.999 6.085 0.690 35 HA LEU 31 HA LEU 31 19.943 4.687 -1.842 36 HB2 LEU 31 HB2 LEU 31 21.818 4.567 0.516 37 HB3 LEU 31 HB1 LEU 31 22.004 3.563 -0.909 38 HG LEU 31 HG LEU 31 22.103 5.743 -2.241 39 HD11 LEU 31 HD11 LEU 31 22.868 7.708 -0.983 40 HD12 LEU 31 HD12 LEU 31 22.558 6.847 0.526 41 HD13 LEU 31 HD13 LEU 31 21.222 7.240 -0.556 42 HD21 LEU 31 HD21 LEU 31 24.047 4.338 -1.842 43 HD22 LEU 31 HD22 LEU 31 24.294 5.100 -0.270 44 HD23 LEU 31 HD23 LEU 31 24.484 6.044 -1.748 45 H PHE 32 HN PHE 32 17.736 4.222 -0.039 46 HA PHE 32 HA PHE 32 17.679 1.366 -0.151 47 HB2 PHE 32 HB2 PHE 32 18.931 1.919 2.016 48 HB3 PHE 32 HB1 PHE 32 17.401 2.555 2.609 49 HD1 PHE 32 HD1 PHE 32 15.903 1.143 3.665 50 HD2 PHE 32 HD2 PHE 32 18.909 -0.516 1.151 51 HE1 PHE 32 HE1 PHE 32 15.238 -1.120 4.370 52 HE2 PHE 32 HE2 PHE 32 18.249 -2.780 1.850 53 HZ PHE 32 HZ PHE 32 16.412 -3.085 3.462 54 H LEU 33 HN LEU 33 16.280 4.210 -0.495 55 HA LEU 33 HA LEU 33 13.724 3.886 0.695 56 HB2 LEU 33 HB2 LEU 33 14.609 6.073 0.037 57 HB3 LEU 33 HB1 LEU 33 14.558 5.597 -1.648 58 HG LEU 33 HG LEU 33 12.061 5.344 -1.403 59 HD11 LEU 33 HD11 LEU 33 10.997 6.493 0.469 60 HD12 LEU 33 HD12 LEU 33 12.579 6.784 1.194 61 HD13 LEU 33 HD13 LEU 33 11.976 5.135 1.023 62 HD21 LEU 33 HD21 LEU 33 11.640 7.753 -1.551 63 HD22 LEU 33 HD22 LEU 33 13.061 7.281 -2.483 64 HD23 LEU 33 HD23 LEU 33 13.255 8.071 -0.918 65 HA PRO 34 HA PRO 34 12.493 2.537 -3.923 66 HB2 PRO 34 HB2 PRO 34 14.974 0.959 -4.409 67 HB3 PRO 34 HB1 PRO 34 13.965 1.854 -5.552 68 HG2 PRO 34 HG2 PRO 34 16.303 2.839 -4.760 69 HG3 PRO 34 HG1 PRO 34 14.897 3.899 -4.973 70 HD2 PRO 34 HD2 PRO 34 16.125 2.857 -2.457 71 HD3 PRO 34 HD1 PRO 34 15.395 4.441 -2.787 72 H LEU 35 HN LEU 35 14.306 0.754 -1.522 73 HA LEU 35 HA LEU 35 12.831 -1.699 -2.093 74 HB2 LEU 35 HB2 LEU 35 15.341 -1.571 -1.534 75 HB3 LEU 35 HB1 LEU 35 14.826 -1.312 0.120 76 HG LEU 35 HG LEU 35 15.440 -3.656 -0.323 77 HD11 LEU 35 HD11 LEU 35 13.764 -3.066 1.402 78 HD12 LEU 35 HD12 LEU 35 13.539 -4.679 0.726 79 HD13 LEU 35 HD13 LEU 35 12.492 -3.355 0.216 80 HD21 LEU 35 HD21 LEU 35 13.085 -3.624 -2.206 81 HD22 LEU 35 HD22 LEU 35 14.003 -5.050 -1.724 82 HD23 LEU 35 HD23 LEU 35 14.781 -3.777 -2.665 83 H PHE 36 HN PHE 36 13.518 0.292 0.792 84 HA PHE 36 HA PHE 36 11.678 -0.876 2.505 85 HB2 PHE 36 HB2 PHE 36 13.469 0.838 3.065 86 HB3 PHE 36 HB1 PHE 36 12.344 2.070 2.504 87 HD1 PHE 36 HD1 PHE 36 12.977 -0.473 5.077 88 HD2 PHE 36 HD2 PHE 36 10.464 2.725 3.824 89 HE1 PHE 36 HE1 PHE 36 11.945 -0.416 7.309 90 HE2 PHE 36 HE2 PHE 36 9.427 2.788 6.055 91 HZ PHE 36 HZ PHE 36 10.168 1.217 7.801 92 H SER 37 HN SER 37 11.137 1.219 -0.173 93 HA SER 37 HA SER 37 8.510 2.066 0.658 94 HB2 SER 37 HB2 SER 37 8.374 3.145 -1.508 95 HB3 SER 37 HB1 SER 37 9.965 3.449 -0.812 96 HG SER 37 HG SER 37 10.095 1.206 -2.224 97 H PHE 38 HN PHE 38 9.902 -0.470 -1.308 98 HA PHE 38 HA PHE 38 7.659 -1.314 -2.714 99 HB2 PHE 38 HB2 PHE 38 9.862 -2.208 -3.190 100 HB3 PHE 38 HB1 PHE 38 9.931 -2.946 -1.597 101 HD1 PHE 38 HD1 PHE 38 7.795 -2.947 -4.649 102 HD2 PHE 38 HD2 PHE 38 9.400 -5.177 -1.400 103 HE1 PHE 38 HE1 PHE 38 6.786 -4.996 -5.562 104 HE2 PHE 38 HE2 PHE 38 8.395 -7.230 -2.308 105 HZ PHE 38 HZ PHE 38 7.086 -7.142 -4.392 106 H LEU 39 HN LEU 39 8.568 -1.769 0.613 107 HA LEU 39 HA LEU 39 6.521 -3.730 1.149 108 HB2 LEU 39 HB2 LEU 39 8.458 -2.200 2.873 109 HB3 LEU 39 HB1 LEU 39 7.198 -3.194 3.575 110 HG LEU 39 HG LEU 39 9.265 -4.427 3.549 111 HD11 LEU 39 HD11 LEU 39 7.208 -5.684 3.146 112 HD12 LEU 39 HD12 LEU 39 8.587 -6.411 2.323 113 HD13 LEU 39 HD13 LEU 39 7.414 -5.462 1.409 114 HD21 LEU 39 HD21 LEU 39 10.384 -3.228 1.740 115 HD22 LEU 39 HD22 LEU 39 9.301 -3.979 0.569 116 HD23 LEU 39 HD23 LEU 39 10.435 -4.972 1.482 117 H ILE 40 HN ILE 40 6.906 -0.285 1.290 118 HA ILE 40 HA ILE 40 4.683 0.287 2.973 119 HB ILE 40 HB ILE 40 6.137 2.012 0.963 120 HG12 ILE 40 HG12 ILE 40 6.299 1.953 3.984 121 HG13 ILE 40 HG11 ILE 40 7.460 1.183 2.909 122 HG21 ILE 40 HG21 ILE 40 5.084 3.925 2.060 123 HG22 ILE 40 HG22 ILE 40 4.143 2.829 3.073 124 HG23 ILE 40 HG23 ILE 40 3.882 2.862 1.329 125 HD11 ILE 40 HD11 ILE 40 8.028 3.370 1.971 126 HD12 ILE 40 HD12 ILE 40 8.298 3.305 3.713 127 HD13 ILE 40 HD13 ILE 40 6.878 4.130 3.072 128 H VAL 41 HN VAL 41 5.128 -0.111 -0.486 129 HA VAL 41 HA VAL 41 2.496 0.802 -1.182 130 HB VAL 41 HB VAL 41 4.480 -0.785 -2.821 131 HG11 VAL 41 HG11 VAL 41 2.276 -1.022 -3.744 132 HG12 VAL 41 HG12 VAL 41 3.185 0.105 -4.749 133 HG13 VAL 41 HG13 VAL 41 1.984 0.712 -3.609 134 HG21 VAL 41 HG21 VAL 41 5.368 1.377 -2.085 135 HG22 VAL 41 HG22 VAL 41 3.951 2.185 -2.756 136 HG23 VAL 41 HG23 VAL 41 5.080 1.352 -3.826 137 H ALA 42 HN ALA 42 4.098 -2.356 -0.926 138 HA ALA 42 HA ALA 42 2.023 -3.988 -1.770 139 HB1 ALA 42 HB1 ALA 42 4.064 -4.573 0.373 140 HB2 ALA 42 HB2 ALA 42 4.287 -4.801 -1.361 141 HB3 ALA 42 HB3 ALA 42 3.099 -5.770 -0.490 142 H GLY 43 HN GLY 43 2.566 -2.481 1.363 143 HA2 GLY 43 HA2 GLY 43 0.357 -3.878 2.607 144 HA3 GLY 43 HA1 GLY 43 1.336 -2.612 3.332 145 H ALA 44 HN ALA 44 0.835 -0.915 0.887 146 HA ALA 44 HA ALA 44 -1.503 0.402 1.904 147 HB1 ALA 44 HB1 ALA 44 0.107 1.031 -0.566 148 HB2 ALA 44 HB2 ALA 44 0.445 1.645 1.052 149 HB3 ALA 44 HB3 ALA 44 -1.052 2.094 0.234 150 H THR 45 HN THR 45 -0.848 -1.899 -0.573 151 HA THR 45 HA THR 45 -3.039 -1.343 -2.284 152 HB THR 45 HB THR 45 -2.728 -3.666 -3.118 153 HG1 THR 45 HG1 THR 45 -0.550 -4.478 -2.058 154 HG21 THR 45 HG21 THR 45 -0.193 -2.057 -2.797 155 HG22 THR 45 HG22 THR 45 -1.398 -1.864 -4.070 156 HG23 THR 45 HG23 THR 45 -0.443 -3.343 -3.977 157 H THR 46 HN THR 46 -2.679 -3.217 0.650 158 HA THR 46 HA THR 46 -5.135 -4.625 0.484 159 HB THR 46 HB THR 46 -3.563 -3.873 2.959 160 HG1 THR 46 HG1 THR 46 -3.253 -6.416 2.341 161 HG21 THR 46 HG21 THR 46 -4.699 -5.797 3.985 162 HG22 THR 46 HG22 THR 46 -5.639 -6.023 2.510 163 HG23 THR 46 HG23 THR 46 -5.852 -4.562 3.475 164 H LEU 47 HN LEU 47 -4.215 -1.472 1.699 165 HA LEU 47 HA LEU 47 -6.712 -0.957 3.013 166 HB2 LEU 47 HB2 LEU 47 -4.342 0.088 3.400 167 HB3 LEU 47 HB1 LEU 47 -4.823 1.192 2.126 168 HG LEU 47 HG LEU 47 -6.507 0.789 4.588 169 HD11 LEU 47 HD11 LEU 47 -4.258 1.466 5.287 170 HD12 LEU 47 HD12 LEU 47 -5.441 2.747 5.548 171 HD13 LEU 47 HD13 LEU 47 -4.333 2.836 4.179 172 HD21 LEU 47 HD21 LEU 47 -6.302 2.984 2.529 173 HD22 LEU 47 HD22 LEU 47 -7.296 3.055 3.983 174 HD23 LEU 47 HD23 LEU 47 -7.637 1.851 2.741 175 H PHE 48 HN PHE 48 -5.230 -0.028 -0.066 176 HA PHE 48 HA PHE 48 -7.262 1.684 -0.964 177 HB2 PHE 48 HB2 PHE 48 -5.064 1.619 -2.020 178 HB3 PHE 48 HB1 PHE 48 -5.342 -0.035 -2.551 179 HD1 PHE 48 HD1 PHE 48 -6.541 3.447 -2.945 180 HD2 PHE 48 HD2 PHE 48 -6.413 -0.480 -4.579 181 HE1 PHE 48 HE1 PHE 48 -7.516 4.292 -5.041 182 HE2 PHE 48 HE2 PHE 48 -7.387 0.358 -6.679 183 HZ PHE 48 HZ PHE 48 -7.939 2.746 -6.912 184 H CYS 49 HN CYS 49 -6.803 -1.802 -1.342 185 HA CYS 49 HA CYS 49 -9.140 -2.146 -2.965 186 HB2 CYS 49 HB2 CYS 49 -7.246 -3.695 -3.131 187 HB3 CYS 49 HB1 CYS 49 -7.481 -4.180 -1.455 188 HG CYS 49 HG CYS 49 -10.293 -4.908 -2.354 189 H LEU 50 HN LEU 50 -8.473 -1.989 0.407 190 HA LEU 50 HA LEU 50 -10.596 -3.493 1.448 191 HB2 LEU 50 HB2 LEU 50 -8.538 -2.194 2.554 192 HB3 LEU 50 HB1 LEU 50 -9.782 -0.993 2.838 193 HG LEU 50 HG LEU 50 -11.131 -2.808 3.963 194 HD11 LEU 50 HD11 LEU 50 -10.019 -4.739 3.008 195 HD12 LEU 50 HD12 LEU 50 -9.884 -4.765 4.766 196 HD13 LEU 50 HD13 LEU 50 -8.503 -4.277 3.783 197 HD21 LEU 50 HD21 LEU 50 -9.847 -2.686 6.049 198 HD22 LEU 50 HD22 LEU 50 -9.930 -1.122 5.238 199 HD23 LEU 50 HD23 LEU 50 -8.454 -2.084 5.149 200 H LEU 51 HN LEU 51 -10.396 -0.066 0.562 201 HA LEU 51 HA LEU 51 -13.144 0.440 1.249 202 HB2 LEU 51 HB2 LEU 51 -11.332 2.184 -0.409 203 HB3 LEU 51 HB1 LEU 51 -12.753 2.672 0.495 204 HG LEU 51 HG LEU 51 -10.168 1.699 1.715 205 HD11 LEU 51 HD11 LEU 51 -11.333 4.474 1.562 206 HD12 LEU 51 HD12 LEU 51 -9.941 3.887 0.652 207 HD13 LEU 51 HD13 LEU 51 -9.858 4.010 2.409 208 HD21 LEU 51 HD21 LEU 51 -12.664 2.820 2.985 209 HD22 LEU 51 HD22 LEU 51 -11.156 2.459 3.827 210 HD23 LEU 51 HD23 LEU 51 -12.092 1.155 3.097 211 H HIS 52 HN HIS 52 -11.404 -0.596 -1.544 212 HA HIS 52 HA HIS 52 -13.208 0.211 -3.555 213 HB2 HIS 52 HB2 HIS 52 -10.916 -0.546 -4.033 214 HB3 HIS 52 HB1 HIS 52 -11.342 -2.171 -3.507 215 HD1 HIS 52 HD1 HIS 52 -12.258 0.318 -6.219 216 HD2 HIS 52 HD2 HIS 52 -12.330 -3.770 -5.479 217 HE1 HIS 52 HE1 HIS 52 -12.957 -0.746 -8.388 218 HE2 HIS 52 HE2 HIS 52 -13.080 -3.213 -7.890 219 H PHE 53 HN PHE 53 -13.333 -2.287 -1.197 220 HA PHE 53 HA PHE 53 -15.011 -4.146 -2.446 221 HB2 PHE 53 HB2 PHE 53 -13.820 -4.527 -0.302 222 HB3 PHE 53 HB1 PHE 53 -14.925 -3.408 0.488 223 HD1 PHE 53 HD1 PHE 53 -14.644 -6.689 -1.153 224 HD2 PHE 53 HD2 PHE 53 -17.113 -4.076 1.123 225 HE1 PHE 53 HE1 PHE 53 -16.197 -8.545 -0.714 226 HE2 PHE 53 HE2 PHE 53 -18.672 -5.928 1.566 227 HZ PHE 53 HZ PHE 53 -18.213 -8.166 0.649 228 H GLY 54 HN GLY 54 -15.634 -0.976 -1.317 229 HA2 GLY 54 HA2 GLY 54 -17.692 0.049 -2.187 230 HA3 GLY 54 HA1 GLY 54 -18.531 -1.415 -1.697 231 H VAL 55 HN VAL 55 -16.083 -0.176 0.388 232 HA VAL 55 HA VAL 55 -17.921 0.153 2.532 233 HB VAL 55 HB VAL 55 -15.042 1.055 2.377 234 HG11 VAL 55 HG11 VAL 55 -16.850 0.576 4.743 235 HG12 VAL 55 HG12 VAL 55 -16.233 2.133 4.189 236 HG13 VAL 55 HG13 VAL 55 -15.123 0.923 4.835 237 HG21 VAL 55 HG21 VAL 55 -14.508 -1.052 3.495 238 HG22 VAL 55 HG22 VAL 55 -15.266 -1.336 1.929 239 HG23 VAL 55 HG23 VAL 55 -16.203 -1.531 3.410 240 H ILE 56 HN ILE 56 -16.393 2.318 0.265 241 HA ILE 56 HA ILE 56 -17.940 4.536 1.420 242 HB ILE 56 HB ILE 56 -16.159 6.078 0.620 243 HG12 ILE 56 HG12 ILE 56 -14.542 3.540 0.303 244 HG13 ILE 56 HG11 ILE 56 -15.165 4.505 -1.031 245 HG21 ILE 56 HG21 ILE 56 -15.281 4.023 2.643 246 HG22 ILE 56 HG22 ILE 56 -16.317 5.412 2.966 247 HG23 ILE 56 HG23 ILE 56 -14.639 5.657 2.483 248 HD11 ILE 56 HD11 ILE 56 -12.827 4.979 -0.654 249 HD12 ILE 56 HD12 ILE 56 -13.160 5.399 1.026 250 HD13 ILE 56 HD13 ILE 56 -13.804 6.398 -0.277 251 H GLY 57 HN GLY 57 -17.038 2.760 -1.343 252 HA2 GLY 57 HA2 GLY 57 -18.116 2.718 -3.408 253 HA3 GLY 57 HA1 GLY 57 -18.992 4.169 -2.945 254 HA PRO 58 HA PRO 58 -15.838 5.494 -6.038 255 HB2 PRO 58 HB2 PRO 58 -17.457 6.994 -7.570 256 HB3 PRO 58 HB1 PRO 58 -17.386 5.236 -7.736 257 HG2 PRO 58 HG2 PRO 58 -19.406 6.923 -6.311 258 HG3 PRO 58 HG1 PRO 58 -19.662 5.511 -7.352 259 HD2 PRO 58 HD2 PRO 58 -19.675 5.407 -4.615 260 HD3 PRO 58 HD1 PRO 58 -19.247 4.032 -5.653 261 H GLN 59 HN GLN 59 -17.153 6.771 -3.434 262 HA GLN 59 HA GLN 59 -16.378 9.544 -4.048 263 HB2 GLN 59 HB2 GLN 59 -18.144 8.487 -1.833 264 HB3 GLN 59 HB1 GLN 59 -17.714 10.175 -2.064 265 HG2 GLN 59 HG2 GLN 59 -19.254 8.489 -4.024 266 HG3 GLN 59 HG1 GLN 59 -19.954 9.654 -2.900 267 HE21 GLN 59 HE21 GLN 59 -19.669 11.851 -3.267 268 HE22 GLN 59 HE22 GLN 59 -19.147 12.470 -4.793 269 H ARG 60 HN ARG 60 -14.172 9.339 -3.714 270 HA ARG 60 HA ARG 60 -13.238 8.346 -1.135 271 HB2 ARG 60 HB2 ARG 60 -12.045 7.619 -3.146 272 HB3 ARG 60 HB1 ARG 60 -11.701 9.292 -3.561 273 HG2 ARG 60 HG2 ARG 60 -10.337 9.524 -1.560 274 HG3 ARG 60 HG1 ARG 60 -10.707 7.860 -1.106 275 HD2 ARG 60 HD2 ARG 60 -9.623 7.056 -3.140 276 HD3 ARG 60 HD1 ARG 60 -9.274 8.717 -3.618 277 HE ARG 60 HE ARG 60 -8.177 8.318 -1.089 278 HH11 ARG 60 HH11 ARG 60 -7.750 7.146 -4.345 279 HH12 ARG 60 HH12 ARG 60 -6.062 6.818 -4.141 280 HH21 ARG 60 HH21 ARG 60 -5.955 7.890 -0.816 281 HH22 ARG 60 HH22 ARG 60 -5.042 7.241 -2.136 Start of MODEL 2 1 H1 ARG 28 HT1 ARG 28 22.085 -18.909 -0.144 2 H2 ARG 28 HT2 ARG 28 22.480 -18.323 1.392 3 H3 ARG 28 HT3 ARG 28 21.780 -17.293 0.250 4 HA ARG 28 HA ARG 28 19.739 -18.509 0.292 5 HB2 ARG 28 HB2 ARG 28 19.384 -20.419 1.666 6 HB3 ARG 28 HB1 ARG 28 20.877 -20.710 0.785 7 HG2 ARG 28 HG2 ARG 28 20.854 -19.613 3.581 8 HG3 ARG 28 HG1 ARG 28 20.837 -21.343 3.238 9 HD2 ARG 28 HD2 ARG 28 22.943 -19.379 2.341 10 HD3 ARG 28 HD1 ARG 28 23.105 -20.537 3.658 11 HE ARG 28 HE ARG 28 22.450 -21.715 1.109 12 HH11 ARG 28 HH11 ARG 28 25.008 -20.678 3.238 13 HH12 ARG 28 HH12 ARG 28 26.188 -21.738 2.544 14 HH21 ARG 28 HH21 ARG 28 23.998 -23.116 0.193 15 HH22 ARG 28 HH22 ARG 28 25.615 -23.123 0.814 16 H ARG 29 HN ARG 29 21.579 -16.544 1.957 17 HA ARG 29 HA ARG 29 19.700 -16.191 4.192 18 HB2 ARG 29 HB2 ARG 29 21.525 -14.726 5.147 19 HB3 ARG 29 HB1 ARG 29 21.904 -16.439 5.037 20 HG2 ARG 29 HG2 ARG 29 23.162 -15.999 2.965 21 HG3 ARG 29 HG1 ARG 29 22.831 -14.276 3.161 22 HD2 ARG 29 HD2 ARG 29 24.038 -14.236 5.248 23 HD3 ARG 29 HD1 ARG 29 24.266 -15.983 5.190 24 HE ARG 29 HE ARG 29 25.437 -14.202 3.157 25 HH11 ARG 29 HH11 ARG 29 25.719 -16.746 5.522 26 HH12 ARG 29 HH12 ARG 29 27.373 -17.094 5.140 27 HH21 ARG 29 HH21 ARG 29 27.615 -14.650 2.651 28 HH22 ARG 29 HH22 ARG 29 28.450 -15.902 3.508 29 H CYS 30 HN CYS 30 19.456 -13.840 4.873 30 HA CYS 30 HA CYS 30 18.641 -12.324 2.518 31 HB2 CYS 30 HB2 CYS 30 18.068 -11.970 5.464 32 HB3 CYS 30 HB1 CYS 30 17.472 -10.888 4.211 33 HG CYS 30 HG CYS 30 16.595 -13.798 3.194 34 H LEU 31 HN LEU 31 19.948 -10.831 1.696 35 HA LEU 31 HA LEU 31 21.964 -9.590 3.422 36 HB2 LEU 31 HB2 LEU 31 21.736 -9.986 0.457 37 HB3 LEU 31 HB1 LEU 31 22.820 -8.782 1.115 38 HG LEU 31 HG LEU 31 24.057 -10.793 0.625 39 HD11 LEU 31 HD11 LEU 31 25.047 -11.244 2.803 40 HD12 LEU 31 HD12 LEU 31 23.663 -10.495 3.599 41 HD13 LEU 31 HD13 LEU 31 24.736 -9.520 2.594 42 HD21 LEU 31 HD21 LEU 31 23.566 -12.913 1.736 43 HD22 LEU 31 HD22 LEU 31 22.222 -12.391 0.720 44 HD23 LEU 31 HD23 LEU 31 22.130 -12.198 2.471 45 H PHE 32 HN PHE 32 20.051 -8.546 0.598 46 HA PHE 32 HA PHE 32 19.442 -6.050 2.036 47 HB2 PHE 32 HB2 PHE 32 20.156 -6.330 -0.891 48 HB3 PHE 32 HB1 PHE 32 19.628 -4.840 -0.117 49 HD1 PHE 32 HD1 PHE 32 22.369 -7.204 -0.539 50 HD2 PHE 32 HD2 PHE 32 21.090 -3.643 1.406 51 HE1 PHE 32 HE1 PHE 32 24.703 -6.691 0.043 52 HE2 PHE 32 HE2 PHE 32 23.422 -3.120 1.991 53 HZ PHE 32 HZ PHE 32 25.228 -4.646 1.326 54 H LEU 33 HN LEU 33 18.506 -8.335 -0.461 55 HA LEU 33 HA LEU 33 16.546 -8.662 -1.597 56 HB2 LEU 33 HB2 LEU 33 14.730 -9.358 -0.092 57 HB3 LEU 33 HB1 LEU 33 16.281 -10.050 0.324 58 HG LEU 33 HG LEU 33 15.487 -7.574 1.761 59 HD11 LEU 33 HD11 LEU 33 13.406 -8.849 1.746 60 HD12 LEU 33 HD12 LEU 33 14.131 -8.836 3.353 61 HD13 LEU 33 HD13 LEU 33 14.266 -10.272 2.338 62 HD21 LEU 33 HD21 LEU 33 16.604 -8.699 3.602 63 HD22 LEU 33 HD22 LEU 33 17.633 -8.693 2.170 64 HD23 LEU 33 HD23 LEU 33 16.771 -10.161 2.631 65 HA PRO 34 HA PRO 34 14.895 -4.442 -2.003 66 HB2 PRO 34 HB2 PRO 34 13.852 -4.890 -4.494 67 HB3 PRO 34 HB1 PRO 34 15.530 -4.418 -4.203 68 HG2 PRO 34 HG2 PRO 34 14.386 -7.139 -4.704 69 HG3 PRO 34 HG1 PRO 34 15.865 -6.409 -5.358 70 HD2 PRO 34 HD2 PRO 34 15.939 -8.166 -3.325 71 HD3 PRO 34 HD1 PRO 34 17.063 -6.796 -3.414 72 H LEU 35 HN LEU 35 13.500 -7.464 -1.705 73 HA LEU 35 HA LEU 35 10.801 -7.042 -2.322 74 HB2 LEU 35 HB2 LEU 35 12.321 -9.117 -1.351 75 HB3 LEU 35 HB1 LEU 35 11.317 -8.722 0.029 76 HG LEU 35 HG LEU 35 10.322 -10.511 -1.282 77 HD11 LEU 35 HD11 LEU 35 8.860 -8.898 -0.125 78 HD12 LEU 35 HD12 LEU 35 8.110 -9.603 -1.557 79 HD13 LEU 35 HD13 LEU 35 8.754 -7.964 -1.617 80 HD21 LEU 35 HD21 LEU 35 11.279 -9.971 -3.452 81 HD22 LEU 35 HD22 LEU 35 10.278 -8.522 -3.547 82 HD23 LEU 35 HD23 LEU 35 9.525 -10.116 -3.560 83 H PHE 36 HN PHE 36 12.707 -5.623 0.076 84 HA PHE 36 HA PHE 36 10.914 -5.361 2.217 85 HB2 PHE 36 HB2 PHE 36 13.321 -4.855 2.378 86 HB3 PHE 36 HB1 PHE 36 13.090 -3.447 1.347 87 HD1 PHE 36 HD1 PHE 36 12.339 -1.397 2.231 88 HD2 PHE 36 HD2 PHE 36 12.250 -4.910 4.632 89 HE1 PHE 36 HE1 PHE 36 11.851 -0.025 4.214 90 HE2 PHE 36 HE2 PHE 36 11.760 -3.544 6.619 91 HZ PHE 36 HZ PHE 36 11.559 -1.099 6.411 92 H SER 37 HN SER 37 11.655 -2.993 -0.359 93 HA SER 37 HA SER 37 9.707 -1.128 0.379 94 HB2 SER 37 HB2 SER 37 10.614 -1.594 -2.451 95 HB3 SER 37 HB1 SER 37 10.072 -0.085 -1.725 96 HG SER 37 HG SER 37 12.247 0.054 -1.712 97 H PHE 38 HN PHE 38 9.446 -4.097 -1.416 98 HA PHE 38 HA PHE 38 7.044 -3.647 -2.768 99 HB2 PHE 38 HB2 PHE 38 8.519 -5.627 -3.098 100 HB3 PHE 38 HB1 PHE 38 7.950 -6.246 -1.555 101 HD1 PHE 38 HD1 PHE 38 5.814 -7.272 -1.336 102 HD2 PHE 38 HD2 PHE 38 6.981 -5.472 -5.010 103 HE1 PHE 38 HE1 PHE 38 3.905 -8.343 -2.462 104 HE2 PHE 38 HE2 PHE 38 5.075 -6.538 -6.144 105 HZ PHE 38 HZ PHE 38 3.533 -7.975 -4.868 106 H LEU 39 HN LEU 39 7.686 -4.649 0.541 107 HA LEU 39 HA LEU 39 4.942 -5.098 1.211 108 HB2 LEU 39 HB2 LEU 39 7.499 -4.879 2.757 109 HB3 LEU 39 HB1 LEU 39 5.971 -4.841 3.611 110 HG LEU 39 HG LEU 39 6.937 -7.085 3.613 111 HD11 LEU 39 HD11 LEU 39 4.996 -8.314 2.789 112 HD12 LEU 39 HD12 LEU 39 4.463 -6.887 1.902 113 HD13 LEU 39 HD13 LEU 39 4.510 -6.863 3.665 114 HD21 LEU 39 HD21 LEU 39 8.189 -6.976 1.536 115 HD22 LEU 39 HD22 LEU 39 6.688 -6.917 0.612 116 HD23 LEU 39 HD23 LEU 39 7.103 -8.366 1.528 117 H ILE 40 HN ILE 40 7.069 -2.379 1.119 118 HA ILE 40 HA ILE 40 5.596 -0.655 2.835 119 HB ILE 40 HB ILE 40 7.777 -0.284 0.827 120 HG12 ILE 40 HG12 ILE 40 7.482 0.559 3.716 121 HG13 ILE 40 HG11 ILE 40 8.237 -0.936 3.175 122 HG21 ILE 40 HG21 ILE 40 7.735 2.163 1.235 123 HG22 ILE 40 HG22 ILE 40 6.158 1.967 2.005 124 HG23 ILE 40 HG23 ILE 40 6.363 1.577 0.297 125 HD11 ILE 40 HD11 ILE 40 9.191 1.855 2.579 126 HD12 ILE 40 HD12 ILE 40 9.942 0.369 1.997 127 HD13 ILE 40 HD13 ILE 40 9.908 0.721 3.725 128 H VAL 41 HN VAL 41 5.579 -1.282 -0.635 129 HA VAL 41 HA VAL 41 3.602 0.760 -1.158 130 HB VAL 41 HB VAL 41 4.681 -1.403 -2.977 131 HG11 VAL 41 HG11 VAL 41 2.520 -0.587 -3.735 132 HG12 VAL 41 HG12 VAL 41 3.799 0.004 -4.794 133 HG13 VAL 41 HG13 VAL 41 3.079 1.080 -3.597 134 HG21 VAL 41 HG21 VAL 41 6.417 0.135 -2.195 135 HG22 VAL 41 HG22 VAL 41 5.451 1.505 -2.744 136 HG23 VAL 41 HG23 VAL 41 6.090 0.351 -3.914 137 H ALA 42 HN ALA 42 3.714 -2.726 -0.760 138 HA ALA 42 HA ALA 42 1.143 -3.341 -1.712 139 HB1 ALA 42 HB1 ALA 42 1.379 -5.438 -0.508 140 HB2 ALA 42 HB2 ALA 42 2.731 -4.777 0.412 141 HB3 ALA 42 HB3 ALA 42 2.887 -5.026 -1.327 142 H GLY 43 HN GLY 43 2.268 -2.071 1.339 143 HA2 GLY 43 HA2 GLY 43 -0.079 -2.639 2.847 144 HA3 GLY 43 HA1 GLY 43 1.158 -1.462 3.262 145 H ALA 44 HN ALA 44 1.037 0.291 1.169 146 HA ALA 44 HA ALA 44 -1.122 1.932 1.860 147 HB1 ALA 44 HB1 ALA 44 -0.445 3.320 -0.049 148 HB2 ALA 44 HB2 ALA 44 0.606 2.021 -0.612 149 HB3 ALA 44 HB3 ALA 44 0.937 2.820 0.926 150 H THR 45 HN THR 45 -0.779 -0.483 -0.654 151 HA THR 45 HA THR 45 -3.177 0.298 -2.042 152 HB THR 45 HB THR 45 -2.869 -1.927 -3.224 153 HG1 THR 45 HG1 THR 45 -1.619 -3.192 -2.017 154 HG21 THR 45 HG21 THR 45 -0.550 0.009 -3.246 155 HG22 THR 45 HG22 THR 45 -2.047 0.174 -4.163 156 HG23 THR 45 HG23 THR 45 -0.937 -1.150 -4.518 157 H THR 46 HN THR 46 -2.357 -1.831 0.571 158 HA THR 46 HA THR 46 -4.582 -3.556 0.472 159 HB THR 46 HB THR 46 -3.038 -2.658 2.915 160 HG1 THR 46 HG1 THR 46 -2.646 -5.054 1.450 161 HG21 THR 46 HG21 THR 46 -3.784 -4.797 3.879 162 HG22 THR 46 HG22 THR 46 -4.761 -5.093 2.440 163 HG23 THR 46 HG23 THR 46 -5.143 -3.737 3.502 164 H LEU 47 HN LEU 47 -4.213 -0.279 1.499 165 HA LEU 47 HA LEU 47 -6.658 -0.227 3.045 166 HB2 LEU 47 HB2 LEU 47 -4.752 1.175 3.679 167 HB3 LEU 47 HB1 LEU 47 -4.838 2.005 2.137 168 HG LEU 47 HG LEU 47 -7.083 2.861 2.754 169 HD11 LEU 47 HD11 LEU 47 -7.743 1.105 4.301 170 HD12 LEU 47 HD12 LEU 47 -7.819 2.684 5.082 171 HD13 LEU 47 HD13 LEU 47 -6.474 1.596 5.422 172 HD21 LEU 47 HD21 LEU 47 -4.894 3.487 4.732 173 HD22 LEU 47 HD22 LEU 47 -6.297 4.497 4.385 174 HD23 LEU 47 HD23 LEU 47 -5.085 4.213 3.136 175 H PHE 48 HN PHE 48 -5.529 1.182 -0.027 176 HA PHE 48 HA PHE 48 -7.957 2.407 -0.731 177 HB2 PHE 48 HB2 PHE 48 -5.735 2.863 -1.796 178 HB3 PHE 48 HB1 PHE 48 -5.865 1.315 -2.624 179 HD1 PHE 48 HD1 PHE 48 -7.068 1.109 -4.619 180 HD2 PHE 48 HD2 PHE 48 -7.478 4.629 -2.261 181 HE1 PHE 48 HE1 PHE 48 -8.315 2.185 -6.447 182 HE2 PHE 48 HE2 PHE 48 -8.727 5.710 -4.085 183 HZ PHE 48 HZ PHE 48 -9.158 4.487 -6.174 184 H CYS 49 HN CYS 49 -6.707 -0.826 -1.295 185 HA CYS 49 HA CYS 49 -8.940 -1.611 -2.941 186 HB2 CYS 49 HB2 CYS 49 -6.716 -3.259 -1.719 187 HB3 CYS 49 HB1 CYS 49 -7.878 -3.839 -2.906 188 HG CYS 49 HG CYS 49 -4.994 -2.714 -3.533 189 H LEU 50 HN LEU 50 -8.154 -1.583 0.399 190 HA LEU 50 HA LEU 50 -9.477 -3.681 1.524 191 HB2 LEU 50 HB2 LEU 50 -8.238 -1.690 2.607 192 HB3 LEU 50 HB1 LEU 50 -9.806 -0.910 2.634 193 HG LEU 50 HG LEU 50 -10.656 -2.890 3.950 194 HD11 LEU 50 HD11 LEU 50 -7.707 -3.490 4.125 195 HD12 LEU 50 HD12 LEU 50 -8.938 -4.493 3.358 196 HD13 LEU 50 HD13 LEU 50 -8.962 -4.246 5.104 197 HD21 LEU 50 HD21 LEU 50 -8.433 -1.250 5.163 198 HD22 LEU 50 HD22 LEU 50 -9.692 -2.104 6.055 199 HD23 LEU 50 HD23 LEU 50 -10.118 -0.755 5.001 200 H LEU 51 HN LEU 51 -10.977 -0.565 0.652 201 HA LEU 51 HA LEU 51 -13.600 -1.368 1.386 202 HB2 LEU 51 HB2 LEU 51 -12.602 0.882 -0.353 203 HB3 LEU 51 HB1 LEU 51 -14.288 0.666 0.079 204 HG LEU 51 HG LEU 51 -12.088 1.038 2.110 205 HD11 LEU 51 HD11 LEU 51 -12.208 3.026 0.740 206 HD12 LEU 51 HD12 LEU 51 -12.926 3.345 2.318 207 HD13 LEU 51 HD13 LEU 51 -13.962 3.076 0.916 208 HD21 LEU 51 HD21 LEU 51 -14.101 -0.084 2.931 209 HD22 LEU 51 HD22 LEU 51 -15.090 1.243 2.323 210 HD23 LEU 51 HD23 LEU 51 -13.935 1.528 3.624 211 H HIS 52 HN HIS 52 -12.133 -0.862 -1.831 212 HA HIS 52 HA HIS 52 -14.333 -1.795 -3.298 213 HB2 HIS 52 HB2 HIS 52 -11.403 -1.719 -4.035 214 HB3 HIS 52 HB1 HIS 52 -12.709 -2.037 -5.173 215 HD1 HIS 52 HD1 HIS 52 -10.723 0.654 -3.842 216 HD2 HIS 52 HD2 HIS 52 -14.599 0.263 -5.286 217 HE1 HIS 52 HE1 HIS 52 -11.476 2.990 -4.391 218 HE2 HIS 52 HE2 HIS 52 -13.828 2.731 -5.253 219 H PHE 53 HN PHE 53 -12.186 -3.524 -1.357 220 HA PHE 53 HA PHE 53 -11.874 -5.930 -2.752 221 HB2 PHE 53 HB2 PHE 53 -10.634 -5.373 -0.698 222 HB3 PHE 53 HB1 PHE 53 -12.119 -5.515 0.236 223 HD1 PHE 53 HD1 PHE 53 -12.744 -7.559 1.140 224 HD2 PHE 53 HD2 PHE 53 -9.836 -7.446 -1.966 225 HE1 PHE 53 HE1 PHE 53 -12.310 -9.959 1.464 226 HE2 PHE 53 HE2 PHE 53 -9.398 -9.846 -1.647 227 HZ PHE 53 HZ PHE 53 -10.633 -11.105 0.073 228 H GLY 54 HN GLY 54 -14.606 -4.602 -1.074 229 HA2 GLY 54 HA2 GLY 54 -16.794 -5.458 -1.758 230 HA3 GLY 54 HA1 GLY 54 -16.106 -7.073 -1.678 231 H VAL 55 HN VAL 55 -15.199 -4.861 0.787 232 HA VAL 55 HA VAL 55 -16.126 -6.481 2.875 233 HB VAL 55 HB VAL 55 -15.425 -3.542 2.942 234 HG11 VAL 55 HG11 VAL 55 -14.994 -3.939 5.349 235 HG12 VAL 55 HG12 VAL 55 -15.692 -5.549 5.177 236 HG13 VAL 55 HG13 VAL 55 -16.692 -4.122 4.909 237 HG21 VAL 55 HG21 VAL 55 -13.604 -4.917 2.101 238 HG22 VAL 55 HG22 VAL 55 -13.749 -5.989 3.494 239 HG23 VAL 55 HG23 VAL 55 -13.230 -4.319 3.718 240 H ILE 56 HN ILE 56 -17.646 -3.907 1.108 241 HA ILE 56 HA ILE 56 -20.005 -4.124 2.854 242 HB ILE 56 HB ILE 56 -20.642 -1.866 1.917 243 HG12 ILE 56 HG12 ILE 56 -17.732 -1.866 1.082 244 HG13 ILE 56 HG11 ILE 56 -19.108 -1.907 -0.015 245 HG21 ILE 56 HG21 ILE 56 -19.783 -2.169 4.182 246 HG22 ILE 56 HG22 ILE 56 -19.225 -0.647 3.488 247 HG23 ILE 56 HG23 ILE 56 -18.132 -2.028 3.579 248 HD11 ILE 56 HD11 ILE 56 -19.806 0.296 0.822 249 HD12 ILE 56 HD12 ILE 56 -18.196 0.319 0.101 250 HD13 ILE 56 HD13 ILE 56 -18.378 0.335 1.855 251 H GLY 57 HN GLY 57 -18.758 -4.550 -0.270 252 HA2 GLY 57 HA2 GLY 57 -19.684 -5.276 -2.243 253 HA3 GLY 57 HA1 GLY 57 -20.997 -5.900 -1.255 254 HA PRO 58 HA PRO 58 -22.803 -2.540 -3.848 255 HB2 PRO 58 HB2 PRO 58 -24.816 -3.929 -4.935 256 HB3 PRO 58 HB1 PRO 58 -23.169 -4.049 -5.566 257 HG2 PRO 58 HG2 PRO 58 -24.656 -5.929 -3.779 258 HG3 PRO 58 HG1 PRO 58 -23.578 -6.292 -5.138 259 HD2 PRO 58 HD2 PRO 58 -22.835 -6.383 -2.481 260 HD3 PRO 58 HD1 PRO 58 -21.710 -6.168 -3.835 261 H GLN 59 HN GLN 59 -23.170 -3.030 -1.016 262 HA GLN 59 HA GLN 59 -24.596 -2.543 0.681 263 HB2 GLN 59 HB2 GLN 59 -26.125 -1.217 -1.563 264 HB3 GLN 59 HB1 GLN 59 -26.506 -1.024 0.143 265 HG2 GLN 59 HG2 GLN 59 -23.829 -0.332 -1.028 266 HG3 GLN 59 HG1 GLN 59 -25.159 0.818 -0.908 267 HE21 GLN 59 HE21 GLN 59 -24.011 2.154 0.476 268 HE22 GLN 59 HE22 GLN 59 -23.713 1.741 2.127 269 H ARG 60 HN ARG 60 -25.022 -4.819 0.905 270 HA ARG 60 HA ARG 60 -27.454 -5.872 -0.267 271 HB2 ARG 60 HB2 ARG 60 -25.492 -7.091 1.685 272 HB3 ARG 60 HB1 ARG 60 -26.861 -7.937 0.979 273 HG2 ARG 60 HG2 ARG 60 -25.905 -7.635 -1.248 274 HG3 ARG 60 HG1 ARG 60 -24.530 -6.784 -0.538 275 HD2 ARG 60 HD2 ARG 60 -23.926 -8.785 0.717 276 HD3 ARG 60 HD1 ARG 60 -25.320 -9.635 0.054 277 HE ARG 60 HE ARG 60 -23.922 -8.813 -2.139 278 HH11 ARG 60 HH11 ARG 60 -23.156 -10.682 0.700 279 HH12 ARG 60 HH12 ARG 60 -21.965 -11.652 -0.101 280 HH21 ARG 60 HH21 ARG 60 -22.360 -10.089 -3.204 281 HH22 ARG 60 HH22 ARG 60 -21.513 -11.316 -2.321 Start of MODEL 3 1 H1 ARG 28 HT1 ARG 28 23.347 1.510 4.399 2 H2 ARG 28 HT2 ARG 28 21.774 1.739 3.824 3 H3 ARG 28 HT3 ARG 28 22.206 2.313 5.356 4 HA ARG 28 HA ARG 28 22.078 4.095 3.721 5 HB2 ARG 28 HB2 ARG 28 24.322 5.054 4.175 6 HB3 ARG 28 HB1 ARG 28 23.560 4.385 5.611 7 HG2 ARG 28 HG2 ARG 28 24.946 2.429 5.505 8 HG3 ARG 28 HG1 ARG 28 25.622 2.945 3.958 9 HD2 ARG 28 HD2 ARG 28 25.917 4.404 6.582 10 HD3 ARG 28 HD1 ARG 28 27.148 3.395 5.825 11 HE ARG 28 HE ARG 28 26.160 5.599 4.221 12 HH11 ARG 28 HH11 ARG 28 28.599 4.440 6.424 13 HH12 ARG 28 HH12 ARG 28 29.765 5.635 5.963 14 HH21 ARG 28 HH21 ARG 28 27.689 7.174 3.609 15 HH22 ARG 28 HH22 ARG 28 29.247 7.191 4.364 16 H ARG 29 HN ARG 29 22.693 1.433 2.282 17 HA ARG 29 HA ARG 29 24.268 2.624 0.095 18 HB2 ARG 29 HB2 ARG 29 24.907 0.314 -0.531 19 HB3 ARG 29 HB1 ARG 29 25.478 0.770 1.067 20 HG2 ARG 29 HG2 ARG 29 23.693 -0.494 2.101 21 HG3 ARG 29 HG1 ARG 29 23.031 -0.894 0.515 22 HD2 ARG 29 HD2 ARG 29 24.345 -2.742 1.452 23 HD3 ARG 29 HD1 ARG 29 25.046 -2.125 -0.044 24 HE ARG 29 HE ARG 29 26.337 -0.759 1.940 25 HH11 ARG 29 HH11 ARG 29 25.854 -4.126 1.178 26 HH12 ARG 29 HH12 ARG 29 27.366 -4.629 1.856 27 HH21 ARG 29 HH21 ARG 29 28.333 -1.415 2.832 28 HH22 ARG 29 HH22 ARG 29 28.774 -3.089 2.795 29 H CYS 30 HN CYS 30 23.444 2.596 -1.933 30 HA CYS 30 HA CYS 30 20.653 2.234 -2.264 31 HB2 CYS 30 HB2 CYS 30 22.820 2.566 -4.351 32 HB3 CYS 30 HB1 CYS 30 21.090 2.715 -4.646 33 HG CYS 30 HG CYS 30 21.744 4.733 -2.203 34 H LEU 31 HN LEU 31 20.115 0.113 -1.764 35 HA LEU 31 HA LEU 31 20.605 -1.791 -3.906 36 HB2 LEU 31 HB2 LEU 31 22.414 -2.177 -2.258 37 HB3 LEU 31 HB1 LEU 31 21.202 -2.469 -1.025 38 HG LEU 31 HG LEU 31 20.382 -4.406 -2.381 39 HD11 LEU 31 HD11 LEU 31 22.879 -3.869 -3.981 40 HD12 LEU 31 HD12 LEU 31 21.219 -3.712 -4.556 41 HD13 LEU 31 HD13 LEU 31 21.853 -5.298 -4.119 42 HD21 LEU 31 HD21 LEU 31 23.266 -4.470 -1.505 43 HD22 LEU 31 HD22 LEU 31 22.245 -5.883 -1.770 44 HD23 LEU 31 HD23 LEU 31 21.855 -4.743 -0.482 45 H PHE 32 HN PHE 32 19.191 -1.505 -0.645 46 HA PHE 32 HA PHE 32 16.786 -2.859 -1.666 47 HB2 PHE 32 HB2 PHE 32 16.307 -3.422 0.697 48 HB3 PHE 32 HB1 PHE 32 17.841 -4.085 0.146 49 HD1 PHE 32 HD1 PHE 32 16.200 -1.878 2.481 50 HD2 PHE 32 HD2 PHE 32 19.967 -3.024 0.869 51 HE1 PHE 32 HE1 PHE 32 17.335 -0.808 4.384 52 HE2 PHE 32 HE2 PHE 32 21.110 -1.958 2.768 53 HZ PHE 32 HZ PHE 32 19.794 -0.848 4.530 54 H LEU 33 HN LEU 33 17.917 0.148 -1.028 55 HA LEU 33 HA LEU 33 15.893 1.346 0.500 56 HB2 LEU 33 HB2 LEU 33 18.200 2.257 -0.354 57 HB3 LEU 33 HB1 LEU 33 17.251 2.840 -1.707 58 HG LEU 33 HG LEU 33 16.634 3.530 1.164 59 HD11 LEU 33 HD11 LEU 33 18.846 4.367 0.594 60 HD12 LEU 33 HD12 LEU 33 17.685 5.691 0.708 61 HD13 LEU 33 HD13 LEU 33 18.201 5.104 -0.873 62 HD21 LEU 33 HD21 LEU 33 14.732 3.786 -0.281 63 HD22 LEU 33 HD22 LEU 33 15.701 4.649 -1.475 64 HD23 LEU 33 HD23 LEU 33 15.375 5.383 0.095 65 HA PRO 34 HA PRO 34 13.669 2.355 -3.688 66 HB2 PRO 34 HB2 PRO 34 14.691 0.358 -5.577 67 HB3 PRO 34 HB1 PRO 34 14.531 2.104 -5.775 68 HG2 PRO 34 HG2 PRO 34 16.932 0.908 -5.535 69 HG3 PRO 34 HG1 PRO 34 16.616 2.531 -4.893 70 HD2 PRO 34 HD2 PRO 34 16.715 -0.094 -3.449 71 HD3 PRO 34 HD1 PRO 34 17.371 1.484 -2.965 72 H LEU 35 HN LEU 35 14.554 -0.854 -2.711 73 HA LEU 35 HA LEU 35 12.125 -2.087 -3.668 74 HB2 LEU 35 HB2 LEU 35 14.323 -3.274 -3.523 75 HB3 LEU 35 HB1 LEU 35 14.202 -3.193 -1.778 76 HG LEU 35 HG LEU 35 11.910 -4.433 -3.184 77 HD11 LEU 35 HD11 LEU 35 13.777 -5.343 -4.452 78 HD12 LEU 35 HD12 LEU 35 13.070 -6.575 -3.406 79 HD13 LEU 35 HD13 LEU 35 14.588 -5.798 -2.954 80 HD21 LEU 35 HD21 LEU 35 11.992 -4.261 -0.749 81 HD22 LEU 35 HD22 LEU 35 13.511 -5.158 -0.730 82 HD23 LEU 35 HD23 LEU 35 12.027 -5.947 -1.266 83 H PHE 36 HN PHE 36 13.212 -0.473 -0.835 84 HA PHE 36 HA PHE 36 11.551 -1.637 1.099 85 HB2 PHE 36 HB2 PHE 36 13.453 -0.082 1.558 86 HB3 PHE 36 HB1 PHE 36 12.449 1.247 0.988 87 HD1 PHE 36 HD1 PHE 36 12.655 -1.414 3.558 88 HD2 PHE 36 HD2 PHE 36 10.951 2.317 2.424 89 HE1 PHE 36 HE1 PHE 36 11.719 -1.158 5.819 90 HE2 PHE 36 HE2 PHE 36 10.013 2.580 4.683 91 HZ PHE 36 HZ PHE 36 10.397 0.841 6.385 92 H SER 37 HN SER 37 10.900 0.637 -1.441 93 HA SER 37 HA SER 37 8.455 1.656 -0.415 94 HB2 SER 37 HB2 SER 37 9.310 1.472 -3.300 95 HB3 SER 37 HB1 SER 37 8.090 2.548 -2.634 96 HG SER 37 HG SER 37 10.753 2.892 -2.784 97 H PHE 38 HN PHE 38 9.358 -1.252 -2.032 98 HA PHE 38 HA PHE 38 6.793 -1.963 -3.024 99 HB2 PHE 38 HB2 PHE 38 9.344 -3.436 -2.539 100 HB3 PHE 38 HB1 PHE 38 7.885 -4.335 -2.930 101 HD1 PHE 38 HD1 PHE 38 10.025 -1.548 -4.152 102 HD2 PHE 38 HD2 PHE 38 7.275 -4.641 -5.139 103 HE1 PHE 38 HE1 PHE 38 10.415 -1.126 -6.543 104 HE2 PHE 38 HE2 PHE 38 7.660 -4.226 -7.533 105 HZ PHE 38 HZ PHE 38 9.231 -2.466 -8.238 106 H LEU 39 HN LEU 39 8.427 -2.309 0.030 107 HA LEU 39 HA LEU 39 6.511 -4.156 1.132 108 HB2 LEU 39 HB2 LEU 39 8.781 -2.554 2.290 109 HB3 LEU 39 HB1 LEU 39 7.676 -3.439 3.322 110 HG LEU 39 HG LEU 39 9.710 -4.714 2.952 111 HD11 LEU 39 HD11 LEU 39 7.339 -5.897 1.516 112 HD12 LEU 39 HD12 LEU 39 7.648 -5.957 3.252 113 HD13 LEU 39 HD13 LEU 39 8.722 -6.801 2.136 114 HD21 LEU 39 HD21 LEU 39 10.328 -3.769 0.780 115 HD22 LEU 39 HD22 LEU 39 8.994 -4.638 0.023 116 HD23 LEU 39 HD23 LEU 39 10.330 -5.532 0.749 117 H ILE 40 HN ILE 40 6.908 -0.747 0.847 118 HA ILE 40 HA ILE 40 4.913 -0.094 2.842 119 HB ILE 40 HB ILE 40 6.869 1.386 1.219 120 HG12 ILE 40 HG12 ILE 40 5.584 1.968 3.894 121 HG13 ILE 40 HG11 ILE 40 7.032 0.994 3.662 122 HG21 ILE 40 HG21 ILE 40 4.191 2.634 1.812 123 HG22 ILE 40 HG22 ILE 40 4.940 2.403 0.231 124 HG23 ILE 40 HG23 ILE 40 5.642 3.540 1.380 125 HD11 ILE 40 HD11 ILE 40 6.730 3.920 3.026 126 HD12 ILE 40 HD12 ILE 40 8.177 2.955 2.734 127 HD13 ILE 40 HD13 ILE 40 7.613 3.222 4.383 128 H VAL 41 HN VAL 41 5.137 -0.606 -0.577 129 HA VAL 41 HA VAL 41 2.589 0.603 -1.180 130 HB VAL 41 HB VAL 41 4.681 0.363 -2.724 131 HG11 VAL 41 HG11 VAL 41 3.214 -2.192 -3.291 132 HG12 VAL 41 HG12 VAL 41 4.813 -2.052 -2.569 133 HG13 VAL 41 HG13 VAL 41 4.550 -1.533 -4.234 134 HG21 VAL 41 HG21 VAL 41 3.223 0.513 -4.694 135 HG22 VAL 41 HG22 VAL 41 2.614 1.487 -3.355 136 HG23 VAL 41 HG23 VAL 41 1.867 -0.068 -3.726 137 H ALA 42 HN ALA 42 3.873 -2.568 -0.544 138 HA ALA 42 HA ALA 42 1.737 -4.129 -1.474 139 HB1 ALA 42 HB1 ALA 42 3.605 -4.697 0.827 140 HB2 ALA 42 HB2 ALA 42 3.909 -5.072 -0.870 141 HB3 ALA 42 HB3 ALA 42 2.600 -5.882 -0.009 142 H GLY 43 HN GLY 43 2.263 -2.474 1.595 143 HA2 GLY 43 HA2 GLY 43 -0.143 -3.560 2.778 144 HA3 GLY 43 HA1 GLY 43 0.919 -2.354 3.488 145 H ALA 44 HN ALA 44 0.862 -0.547 1.266 146 HA ALA 44 HA ALA 44 -1.392 0.995 1.948 147 HB1 ALA 44 HB1 ALA 44 -0.697 2.489 0.161 148 HB2 ALA 44 HB2 ALA 44 0.366 1.243 -0.493 149 HB3 ALA 44 HB3 ALA 44 0.705 1.951 1.087 150 H THR 45 HN THR 45 -0.819 -1.364 -0.568 151 HA THR 45 HA THR 45 -3.114 -0.700 -2.134 152 HB THR 45 HB THR 45 -2.750 -3.022 -3.118 153 HG1 THR 45 HG1 THR 45 -1.454 -3.541 -1.045 154 HG21 THR 45 HG21 THR 45 -0.451 -1.063 -3.135 155 HG22 THR 45 HG22 THR 45 -1.870 -1.018 -4.182 156 HG23 THR 45 HG23 THR 45 -0.714 -2.342 -4.321 157 H THR 46 HN THR 46 -2.541 -2.619 0.687 158 HA THR 46 HA THR 46 -4.854 -4.267 0.503 159 HB THR 46 HB THR 46 -3.321 -3.456 2.983 160 HG1 THR 46 HG1 THR 46 -1.888 -4.533 1.712 161 HG21 THR 46 HG21 THR 46 -5.554 -4.400 3.441 162 HG22 THR 46 HG22 THR 46 -4.259 -5.472 3.976 163 HG23 THR 46 HG23 THR 46 -5.134 -5.821 2.485 164 H LEU 47 HN LEU 47 -4.180 -1.107 1.882 165 HA LEU 47 HA LEU 47 -6.798 -0.885 3.091 166 HB2 LEU 47 HB2 LEU 47 -4.812 0.147 4.129 167 HB3 LEU 47 HB1 LEU 47 -4.628 1.185 2.729 168 HG LEU 47 HG LEU 47 -6.839 2.205 3.236 169 HD11 LEU 47 HD11 LEU 47 -7.818 1.823 5.455 170 HD12 LEU 47 HD12 LEU 47 -6.650 0.531 5.738 171 HD13 LEU 47 HD13 LEU 47 -7.850 0.370 4.455 172 HD21 LEU 47 HD21 LEU 47 -4.817 2.316 5.473 173 HD22 LEU 47 HD22 LEU 47 -6.071 3.514 5.150 174 HD23 LEU 47 HD23 LEU 47 -4.771 3.262 3.984 175 H PHE 48 HN PHE 48 -5.159 0.176 0.187 176 HA PHE 48 HA PHE 48 -7.135 2.056 -0.637 177 HB2 PHE 48 HB2 PHE 48 -4.797 2.101 -1.451 178 HB3 PHE 48 HB1 PHE 48 -5.078 0.583 -2.299 179 HD1 PHE 48 HD1 PHE 48 -6.184 4.116 -2.115 180 HD2 PHE 48 HD2 PHE 48 -5.961 0.571 -4.457 181 HE1 PHE 48 HE1 PHE 48 -6.966 5.371 -4.082 182 HE2 PHE 48 HE2 PHE 48 -6.742 1.819 -6.429 183 HZ PHE 48 HZ PHE 48 -7.245 4.222 -6.243 184 H CYS 49 HN CYS 49 -6.548 -1.358 -1.260 185 HA CYS 49 HA CYS 49 -8.729 -1.580 -3.135 186 HB2 CYS 49 HB2 CYS 49 -6.987 -3.672 -1.816 187 HB3 CYS 49 HB1 CYS 49 -8.197 -4.019 -3.045 188 HG CYS 49 HG CYS 49 -6.695 -1.958 -4.704 189 H LEU 50 HN LEU 50 -8.273 -1.850 0.266 190 HA LEU 50 HA LEU 50 -10.289 -3.609 1.016 191 HB2 LEU 50 HB2 LEU 50 -8.492 -2.133 2.360 192 HB3 LEU 50 HB1 LEU 50 -9.921 -1.166 2.656 193 HG LEU 50 HG LEU 50 -11.038 -3.222 3.556 194 HD11 LEU 50 HD11 LEU 50 -8.247 -4.354 3.374 195 HD12 LEU 50 HD12 LEU 50 -9.650 -4.892 2.450 196 HD13 LEU 50 HD13 LEU 50 -9.614 -5.104 4.200 197 HD21 LEU 50 HD21 LEU 50 -10.086 -1.549 5.040 198 HD22 LEU 50 HD22 LEU 50 -8.504 -2.319 4.921 199 HD23 LEU 50 HD23 LEU 50 -9.841 -3.167 5.698 200 H LEU 51 HN LEU 51 -10.465 -0.113 0.449 201 HA LEU 51 HA LEU 51 -13.140 0.272 1.132 202 HB2 LEU 51 HB2 LEU 51 -11.579 1.733 -0.998 203 HB3 LEU 51 HB1 LEU 51 -13.025 2.310 -0.193 204 HG LEU 51 HG LEU 51 -10.374 1.811 1.164 205 HD11 LEU 51 HD11 LEU 51 -10.214 4.242 1.297 206 HD12 LEU 51 HD12 LEU 51 -11.705 4.396 0.368 207 HD13 LEU 51 HD13 LEU 51 -10.270 3.696 -0.380 208 HD21 LEU 51 HD21 LEU 51 -11.403 2.991 3.054 209 HD22 LEU 51 HD22 LEU 51 -12.259 1.499 2.667 210 HD23 LEU 51 HD23 LEU 51 -12.930 3.053 2.177 211 H HIS 52 HN HIS 52 -11.691 -0.867 -1.861 212 HA HIS 52 HA HIS 52 -14.052 -0.668 -3.432 213 HB2 HIS 52 HB2 HIS 52 -11.553 -2.325 -3.811 214 HB3 HIS 52 HB1 HIS 52 -12.833 -2.176 -5.010 215 HD1 HIS 52 HD1 HIS 52 -9.710 -0.685 -4.014 216 HD2 HIS 52 HD2 HIS 52 -13.191 0.656 -5.843 217 HE1 HIS 52 HE1 HIS 52 -9.091 1.480 -5.133 218 HE2 HIS 52 HE2 HIS 52 -11.188 2.222 -6.314 219 H PHE 53 HN PHE 53 -12.918 -2.966 -1.128 220 HA PHE 53 HA PHE 53 -14.245 -5.274 -2.005 221 HB2 PHE 53 HB2 PHE 53 -12.558 -5.350 -0.247 222 HB3 PHE 53 HB1 PHE 53 -13.582 -4.387 0.811 223 HD1 PHE 53 HD1 PHE 53 -13.656 -7.576 -1.117 224 HD2 PHE 53 HD2 PHE 53 -14.867 -5.473 2.379 225 HE1 PHE 53 HE1 PHE 53 -14.658 -9.640 -0.228 226 HE2 PHE 53 HE2 PHE 53 -15.871 -7.533 3.275 227 HZ PHE 53 HZ PHE 53 -15.776 -9.613 1.978 228 H GLY 54 HN GLY 54 -15.424 -2.384 -0.515 229 HA2 GLY 54 HA2 GLY 54 -17.811 -1.934 -0.848 230 HA3 GLY 54 HA1 GLY 54 -18.111 -3.606 -0.398 231 H VAL 55 HN VAL 55 -15.769 -1.669 1.301 232 HA VAL 55 HA VAL 55 -16.867 -2.181 3.822 233 HB VAL 55 HB VAL 55 -15.009 0.062 3.028 234 HG11 VAL 55 HG11 VAL 55 -16.030 0.477 5.195 235 HG12 VAL 55 HG12 VAL 55 -14.331 0.050 5.390 236 HG13 VAL 55 HG13 VAL 55 -15.584 -1.142 5.737 237 HG21 VAL 55 HG21 VAL 55 -14.159 -2.159 2.433 238 HG22 VAL 55 HG22 VAL 55 -14.388 -2.690 4.099 239 HG23 VAL 55 HG23 VAL 55 -13.215 -1.427 3.730 240 H ILE 56 HN ILE 56 -16.999 0.739 1.839 241 HA ILE 56 HA ILE 56 -19.057 1.832 3.621 242 HB ILE 56 HB ILE 56 -18.698 3.941 2.252 243 HG12 ILE 56 HG12 ILE 56 -16.187 2.474 1.418 244 HG13 ILE 56 HG11 ILE 56 -17.558 2.787 0.358 245 HG21 ILE 56 HG21 ILE 56 -17.841 3.649 4.518 246 HG22 ILE 56 HG22 ILE 56 -16.708 4.570 3.528 247 HG23 ILE 56 HG23 ILE 56 -16.395 2.870 3.876 248 HD11 ILE 56 HD11 ILE 56 -15.790 4.383 -0.037 249 HD12 ILE 56 HD12 ILE 56 -15.809 4.859 1.662 250 HD13 ILE 56 HD13 ILE 56 -17.203 5.195 0.636 251 H GLY 57 HN GLY 57 -18.665 0.306 0.653 252 HA2 GLY 57 HA2 GLY 57 -20.155 -0.272 -0.996 253 HA3 GLY 57 HA1 GLY 57 -21.428 0.277 0.083 254 HA PRO 58 HA PRO 58 -21.715 3.348 -3.219 255 HB2 PRO 58 HB2 PRO 58 -24.265 4.055 -2.816 256 HB3 PRO 58 HB1 PRO 58 -23.843 2.508 -3.561 257 HG2 PRO 58 HG2 PRO 58 -24.676 3.094 -0.750 258 HG3 PRO 58 HG1 PRO 58 -25.141 1.742 -1.798 259 HD2 PRO 58 HD2 PRO 58 -23.202 1.609 0.159 260 HD3 PRO 58 HD1 PRO 58 -23.290 0.529 -1.244 261 H GLN 59 HN GLN 59 -20.318 4.107 -0.942 262 HA GLN 59 HA GLN 59 -19.703 5.931 0.261 263 HB2 GLN 59 HB2 GLN 59 -21.590 7.288 -1.667 264 HB3 GLN 59 HB1 GLN 59 -20.583 8.158 -0.519 265 HG2 GLN 59 HG2 GLN 59 -19.518 8.179 -2.656 266 HG3 GLN 59 HG1 GLN 59 -18.585 7.152 -1.568 267 HE21 GLN 59 HE21 GLN 59 -20.699 7.237 -4.329 268 HE22 GLN 59 HE22 GLN 59 -20.379 5.631 -4.877 269 H ARG 60 HN ARG 60 -20.343 5.715 2.307 270 HA ARG 60 HA ARG 60 -21.566 5.890 4.214 271 HB2 ARG 60 HB2 ARG 60 -23.084 7.965 2.623 272 HB3 ARG 60 HB1 ARG 60 -23.171 7.754 4.365 273 HG2 ARG 60 HG2 ARG 60 -20.820 8.338 4.573 274 HG3 ARG 60 HG1 ARG 60 -20.697 8.506 2.820 275 HD2 ARG 60 HD2 ARG 60 -20.941 10.682 3.890 276 HD3 ARG 60 HD1 ARG 60 -22.335 10.317 2.876 277 HE ARG 60 HE ARG 60 -22.877 9.495 5.504 278 HH11 ARG 60 HH11 ARG 60 -22.438 12.411 3.646 279 HH12 ARG 60 HH12 ARG 60 -23.460 13.368 4.666 280 HH21 ARG 60 HH21 ARG 60 -24.225 10.748 6.852 281 HH22 ARG 60 HH22 ARG 60 -24.475 12.423 6.488 Start of MODEL 4 1 H1 ARG 28 HT1 ARG 28 22.635 4.168 12.657 2 H2 ARG 28 HT2 ARG 28 23.240 2.596 12.500 3 H3 ARG 28 HT3 ARG 28 21.655 2.841 13.037 4 HA ARG 28 HA ARG 28 22.689 3.538 10.352 5 HB2 ARG 28 HB2 ARG 28 22.502 1.110 10.709 6 HB3 ARG 28 HB1 ARG 28 20.834 1.312 11.225 7 HG2 ARG 28 HG2 ARG 28 20.875 0.530 8.958 8 HG3 ARG 28 HG1 ARG 28 20.284 2.192 8.984 9 HD2 ARG 28 HD2 ARG 28 22.498 2.994 8.332 10 HD3 ARG 28 HD1 ARG 28 23.103 1.338 8.327 11 HE ARG 28 HE ARG 28 20.960 1.348 6.604 12 HH11 ARG 28 HH11 ARG 28 24.002 3.036 6.846 13 HH12 ARG 28 HH12 ARG 28 24.173 3.234 5.135 14 HH21 ARG 28 HH21 ARG 28 21.182 1.604 4.350 15 HH22 ARG 28 HH22 ARG 28 22.572 2.420 3.716 16 H ARG 29 HN ARG 29 21.709 5.387 9.825 17 HA ARG 29 HA ARG 29 19.165 6.162 10.859 18 HB2 ARG 29 HB2 ARG 29 19.370 8.082 9.327 19 HB3 ARG 29 HB1 ARG 29 20.824 7.844 10.286 20 HG2 ARG 29 HG2 ARG 29 21.883 6.733 8.366 21 HG3 ARG 29 HG1 ARG 29 20.432 7.043 7.410 22 HD2 ARG 29 HD2 ARG 29 22.112 8.719 6.933 23 HD3 ARG 29 HD1 ARG 29 20.741 9.457 7.762 24 HE ARG 29 HE ARG 29 22.810 8.671 9.567 25 HH11 ARG 29 HH11 ARG 29 21.812 11.155 7.338 26 HH12 ARG 29 HH12 ARG 29 22.725 12.402 8.120 27 HH21 ARG 29 HH21 ARG 29 24.014 10.306 10.604 28 HH22 ARG 29 HH22 ARG 29 23.978 11.920 9.974 29 H CYS 30 HN CYS 30 17.172 6.149 9.904 30 HA CYS 30 HA CYS 30 16.948 4.871 7.264 31 HB2 CYS 30 HB2 CYS 30 15.223 4.299 9.682 32 HB3 CYS 30 HB1 CYS 30 14.956 3.652 8.068 33 HG CYS 30 HG CYS 30 17.993 2.865 8.734 34 H LEU 31 HN LEU 31 16.474 6.727 6.153 35 HA LEU 31 HA LEU 31 14.367 8.483 7.127 36 HB2 LEU 31 HB2 LEU 31 16.560 9.246 6.030 37 HB3 LEU 31 HB1 LEU 31 15.834 8.747 4.515 38 HG LEU 31 HG LEU 31 14.398 10.686 6.295 39 HD11 LEU 31 HD11 LEU 31 16.533 11.393 4.286 40 HD12 LEU 31 HD12 LEU 31 16.662 11.571 6.036 41 HD13 LEU 31 HD13 LEU 31 15.487 12.530 5.136 42 HD21 LEU 31 HD21 LEU 31 13.201 9.729 4.391 43 HD22 LEU 31 HD22 LEU 31 14.477 10.279 3.306 44 HD23 LEU 31 HD23 LEU 31 13.481 11.455 4.165 45 H PHE 32 HN PHE 32 15.003 6.294 4.420 46 HA PHE 32 HA PHE 32 12.128 6.042 4.019 47 HB2 PHE 32 HB2 PHE 32 12.392 6.258 1.546 48 HB3 PHE 32 HB1 PHE 32 12.686 7.755 2.420 49 HD1 PHE 32 HD1 PHE 32 15.045 8.510 2.783 50 HD2 PHE 32 HD2 PHE 32 14.044 5.297 0.177 51 HE1 PHE 32 HE1 PHE 32 17.233 8.727 1.682 52 HE2 PHE 32 HE2 PHE 32 16.232 5.509 -0.929 53 HZ PHE 32 HZ PHE 32 17.826 7.221 -0.184 54 H LEU 33 HN LEU 33 15.330 4.964 2.891 55 HA LEU 33 HA LEU 33 16.185 2.919 2.449 56 HB2 LEU 33 HB2 LEU 33 15.226 2.528 4.777 57 HB3 LEU 33 HB1 LEU 33 13.881 1.744 3.973 58 HG LEU 33 HG LEU 33 15.514 0.150 2.937 59 HD11 LEU 33 HD11 LEU 33 17.516 1.538 3.154 60 HD12 LEU 33 HD12 LEU 33 17.731 -0.033 3.925 61 HD13 LEU 33 HD13 LEU 33 17.424 1.398 4.909 62 HD21 LEU 33 HD21 LEU 33 15.441 0.222 5.950 63 HD22 LEU 33 HD22 LEU 33 15.773 -1.192 4.950 64 HD23 LEU 33 HD23 LEU 33 14.182 -0.434 4.905 65 HA PRO 34 HA PRO 34 13.949 1.922 -1.275 66 HB2 PRO 34 HB2 PRO 34 15.597 -0.105 -2.096 67 HB3 PRO 34 HB1 PRO 34 15.954 1.610 -2.325 68 HG2 PRO 34 HG2 PRO 34 16.931 -0.260 -0.199 69 HG3 PRO 34 HG1 PRO 34 17.833 0.964 -1.115 70 HD2 PRO 34 HD2 PRO 34 16.995 1.427 1.396 71 HD3 PRO 34 HD1 PRO 34 17.011 2.711 0.169 72 H LEU 35 HN LEU 35 14.801 -0.445 1.172 73 HA LEU 35 HA LEU 35 13.029 -2.460 0.089 74 HB2 LEU 35 HB2 LEU 35 15.258 -2.785 1.402 75 HB3 LEU 35 HB1 LEU 35 14.259 -2.559 2.822 76 HG LEU 35 HG LEU 35 14.662 -4.937 2.293 77 HD11 LEU 35 HD11 LEU 35 12.399 -5.697 2.562 78 HD12 LEU 35 HD12 LEU 35 11.770 -4.171 1.943 79 HD13 LEU 35 HD13 LEU 35 12.620 -4.213 3.488 80 HD21 LEU 35 HD21 LEU 35 14.777 -4.742 -0.141 81 HD22 LEU 35 HD22 LEU 35 13.051 -4.376 -0.194 82 HD23 LEU 35 HD23 LEU 35 13.602 -5.959 0.357 83 H PHE 36 HN PHE 36 13.126 -0.320 2.917 84 HA PHE 36 HA PHE 36 10.814 -1.194 4.191 85 HB2 PHE 36 HB2 PHE 36 12.488 0.390 5.141 86 HB3 PHE 36 HB1 PHE 36 11.840 1.647 4.095 87 HD1 PHE 36 HD1 PHE 36 10.680 -0.816 6.643 88 HD2 PHE 36 HD2 PHE 36 10.253 3.064 4.951 89 HE1 PHE 36 HE1 PHE 36 9.003 -0.258 8.355 90 HE2 PHE 36 HE2 PHE 36 8.576 3.630 6.661 91 HZ PHE 36 HZ PHE 36 7.954 1.964 8.372 92 H SER 37 HN SER 37 11.141 0.526 1.244 93 HA SER 37 HA SER 37 8.520 1.721 1.304 94 HB2 SER 37 HB2 SER 37 10.277 1.340 -1.111 95 HB3 SER 37 HB1 SER 37 8.994 2.523 -0.893 96 HG SER 37 HG SER 37 11.042 2.576 0.974 97 H PHE 38 HN PHE 38 9.979 -1.215 0.083 98 HA PHE 38 HA PHE 38 8.022 -2.065 -1.698 99 HB2 PHE 38 HB2 PHE 38 9.980 -3.487 0.047 100 HB3 PHE 38 HB1 PHE 38 8.769 -4.424 -0.814 101 HD1 PHE 38 HD1 PHE 38 10.810 -1.453 -1.768 102 HD2 PHE 38 HD2 PHE 38 9.774 -5.498 -2.587 103 HE1 PHE 38 HE1 PHE 38 12.220 -1.402 -3.782 104 HE2 PHE 38 HE2 PHE 38 11.182 -5.455 -4.602 105 HZ PHE 38 HZ PHE 38 12.415 -3.439 -5.200 106 H LEU 39 HN LEU 39 8.241 -2.522 1.804 107 HA LEU 39 HA LEU 39 5.801 -3.992 1.982 108 HB2 LEU 39 HB2 LEU 39 6.218 -2.979 4.505 109 HB3 LEU 39 HB1 LEU 39 6.808 -4.514 3.900 110 HG LEU 39 HG LEU 39 8.452 -2.028 3.572 111 HD11 LEU 39 HD11 LEU 39 9.579 -2.568 5.677 112 HD12 LEU 39 HD12 LEU 39 8.388 -3.831 5.989 113 HD13 LEU 39 HD13 LEU 39 7.889 -2.141 5.940 114 HD21 LEU 39 HD21 LEU 39 10.253 -3.545 3.363 115 HD22 LEU 39 HD22 LEU 39 8.940 -4.211 2.388 116 HD23 LEU 39 HD23 LEU 39 9.288 -4.888 3.978 117 H ILE 40 HN ILE 40 6.650 -0.701 1.786 118 HA ILE 40 HA ILE 40 4.290 0.368 3.027 119 HB ILE 40 HB ILE 40 6.581 1.524 1.482 120 HG12 ILE 40 HG12 ILE 40 5.407 2.160 4.196 121 HG13 ILE 40 HG11 ILE 40 6.769 1.082 3.910 122 HG21 ILE 40 HG21 ILE 40 4.713 2.714 0.560 123 HG22 ILE 40 HG22 ILE 40 5.553 3.769 1.695 124 HG23 ILE 40 HG23 ILE 40 4.042 2.992 2.168 125 HD11 ILE 40 HD11 ILE 40 6.708 4.018 3.257 126 HD12 ILE 40 HD12 ILE 40 8.080 2.930 3.055 127 HD13 ILE 40 HD13 ILE 40 7.473 3.295 4.669 128 H VAL 41 HN VAL 41 5.315 -0.487 -0.209 129 HA VAL 41 HA VAL 41 3.018 0.731 -1.472 130 HB VAL 41 HB VAL 41 5.143 -1.098 -2.604 131 HG11 VAL 41 HG11 VAL 41 4.324 -0.346 -4.803 132 HG12 VAL 41 HG12 VAL 41 3.003 0.508 -4.005 133 HG13 VAL 41 HG13 VAL 41 3.101 -1.252 -3.909 134 HG21 VAL 41 HG21 VAL 41 4.804 1.893 -2.813 135 HG22 VAL 41 HG22 VAL 41 6.059 0.934 -3.597 136 HG23 VAL 41 HG23 VAL 41 6.012 1.055 -1.839 137 H ALA 42 HN ALA 42 4.174 -2.565 -0.824 138 HA ALA 42 HA ALA 42 2.037 -3.935 -2.016 139 HB1 ALA 42 HB1 ALA 42 4.156 -5.001 -1.386 140 HB2 ALA 42 HB2 ALA 42 2.765 -5.860 -0.724 141 HB3 ALA 42 HB3 ALA 42 3.734 -4.817 0.317 142 H GLY 43 HN GLY 43 2.427 -2.546 1.191 143 HA2 GLY 43 HA2 GLY 43 0.006 -3.721 2.220 144 HA3 GLY 43 HA1 GLY 43 1.000 -2.511 3.016 145 H ALA 44 HN ALA 44 0.914 -0.686 0.726 146 HA ALA 44 HA ALA 44 -1.372 0.798 1.453 147 HB1 ALA 44 HB1 ALA 44 0.389 1.112 -0.974 148 HB2 ALA 44 HB2 ALA 44 0.668 1.843 0.606 149 HB3 ALA 44 HB3 ALA 44 -0.737 2.316 -0.348 150 H THR 45 HN THR 45 -0.681 -1.349 -1.256 151 HA THR 45 HA THR 45 -3.008 -0.785 -2.758 152 HB THR 45 HB THR 45 -2.577 -2.975 -3.866 153 HG1 THR 45 HG1 THR 45 -0.894 -4.246 -3.158 154 HG21 THR 45 HG21 THR 45 -0.385 -2.370 -4.802 155 HG22 THR 45 HG22 THR 45 -0.153 -1.212 -3.491 156 HG23 THR 45 HG23 THR 45 -1.447 -0.969 -4.666 157 H THR 46 HN THR 46 -2.430 -2.708 0.050 158 HA THR 46 HA THR 46 -4.760 -4.362 -0.201 159 HB THR 46 HB THR 46 -3.076 -3.797 2.246 160 HG1 THR 46 HG1 THR 46 -2.180 -5.901 1.643 161 HG21 THR 46 HG21 THR 46 -4.018 -5.865 3.126 162 HG22 THR 46 HG22 THR 46 -4.992 -6.061 1.670 163 HG23 THR 46 HG23 THR 46 -5.305 -4.714 2.765 164 H LEU 47 HN LEU 47 -3.949 -1.357 1.455 165 HA LEU 47 HA LEU 47 -6.435 -1.214 2.880 166 HB2 LEU 47 HB2 LEU 47 -4.284 -0.148 3.619 167 HB3 LEU 47 HB1 LEU 47 -4.479 1.015 2.322 168 HG LEU 47 HG LEU 47 -6.628 1.741 3.355 169 HD11 LEU 47 HD11 LEU 47 -7.159 -0.299 4.570 170 HD12 LEU 47 HD12 LEU 47 -7.095 1.083 5.663 171 HD13 LEU 47 HD13 LEU 47 -5.754 -0.061 5.609 172 HD21 LEU 47 HD21 LEU 47 -4.179 1.912 5.107 173 HD22 LEU 47 HD22 LEU 47 -5.592 2.963 5.214 174 HD23 LEU 47 HD23 LEU 47 -4.583 2.984 3.767 175 H PHE 48 HN PHE 48 -5.171 0.054 -0.141 176 HA PHE 48 HA PHE 48 -7.256 1.886 -0.671 177 HB2 PHE 48 HB2 PHE 48 -5.070 1.921 -1.832 178 HB3 PHE 48 HB1 PHE 48 -5.491 0.417 -2.641 179 HD1 PHE 48 HD1 PHE 48 -6.536 3.950 -2.245 180 HD2 PHE 48 HD2 PHE 48 -6.691 0.436 -4.642 181 HE1 PHE 48 HE1 PHE 48 -7.609 5.233 -4.050 182 HE2 PHE 48 HE2 PHE 48 -7.765 1.714 -6.451 183 HZ PHE 48 HZ PHE 48 -8.224 4.115 -6.155 184 H CYS 49 HN CYS 49 -6.733 -1.481 -1.661 185 HA CYS 49 HA CYS 49 -9.182 -1.672 -3.111 186 HB2 CYS 49 HB2 CYS 49 -7.288 -3.135 -3.623 187 HB3 CYS 49 HB1 CYS 49 -7.374 -3.837 -2.011 188 HG CYS 49 HG CYS 49 -9.340 -5.504 -2.434 189 H LEU 50 HN LEU 50 -8.285 -1.969 0.197 190 HA LEU 50 HA LEU 50 -10.253 -3.670 1.192 191 HB2 LEU 50 HB2 LEU 50 -8.212 -2.345 2.300 192 HB3 LEU 50 HB1 LEU 50 -9.513 -1.279 2.791 193 HG LEU 50 HG LEU 50 -10.651 -3.329 3.770 194 HD11 LEU 50 HD11 LEU 50 -7.900 -4.491 3.345 195 HD12 LEU 50 HD12 LEU 50 -9.395 -5.031 2.580 196 HD13 LEU 50 HD13 LEU 50 -9.180 -5.214 4.321 197 HD21 LEU 50 HD21 LEU 50 -9.286 -3.262 5.805 198 HD22 LEU 50 HD22 LEU 50 -9.561 -1.649 5.149 199 HD23 LEU 50 HD23 LEU 50 -8.004 -2.443 4.913 200 H LEU 51 HN LEU 51 -10.324 -0.137 0.785 201 HA LEU 51 HA LEU 51 -12.943 0.230 1.761 202 HB2 LEU 51 HB2 LEU 51 -11.481 1.942 -0.248 203 HB3 LEU 51 HB1 LEU 51 -12.827 2.432 0.762 204 HG LEU 51 HG LEU 51 -10.093 1.661 1.780 205 HD11 LEU 51 HD11 LEU 51 -10.046 3.756 0.536 206 HD12 LEU 51 HD12 LEU 51 -9.826 4.036 2.264 207 HD13 LEU 51 HD13 LEU 51 -11.384 4.369 1.508 208 HD21 LEU 51 HD21 LEU 51 -10.903 2.562 3.913 209 HD22 LEU 51 HD22 LEU 51 -11.848 1.169 3.386 210 HD23 LEU 51 HD23 LEU 51 -12.499 2.797 3.199 211 H HIS 52 HN HIS 52 -11.705 -0.770 -1.324 212 HA HIS 52 HA HIS 52 -14.043 -0.200 -2.849 213 HB2 HIS 52 HB2 HIS 52 -11.777 -0.524 -3.835 214 HB3 HIS 52 HB1 HIS 52 -11.875 -2.232 -3.422 215 HD1 HIS 52 HD1 HIS 52 -13.218 -3.735 -4.963 216 HD2 HIS 52 HD2 HIS 52 -13.525 0.293 -5.935 217 HE1 HIS 52 HE1 HIS 52 -14.365 -3.669 -7.200 218 HE2 HIS 52 HE2 HIS 52 -14.587 -1.219 -7.746 219 H PHE 53 HN PHE 53 -13.210 -2.650 -0.616 220 HA PHE 53 HA PHE 53 -14.800 -4.772 -1.595 221 HB2 PHE 53 HB2 PHE 53 -13.013 -5.026 0.118 222 HB3 PHE 53 HB1 PHE 53 -14.039 -4.184 1.274 223 HD1 PHE 53 HD1 PHE 53 -13.779 -7.226 -0.813 224 HD2 PHE 53 HD2 PHE 53 -15.707 -5.320 2.467 225 HE1 PHE 53 HE1 PHE 53 -14.825 -9.365 -0.190 226 HE2 PHE 53 HE2 PHE 53 -16.755 -7.455 3.097 227 HZ PHE 53 HZ PHE 53 -16.313 -9.483 1.762 228 H GLY 54 HN GLY 54 -15.598 -1.805 -0.119 229 HA2 GLY 54 HA2 GLY 54 -17.965 -1.164 -0.319 230 HA3 GLY 54 HA1 GLY 54 -18.362 -2.758 0.305 231 H VAL 55 HN VAL 55 -15.715 -0.919 1.623 232 HA VAL 55 HA VAL 55 -16.656 -1.102 4.259 233 HB VAL 55 HB VAL 55 -14.599 0.795 3.118 234 HG11 VAL 55 HG11 VAL 55 -15.371 1.591 5.270 235 HG12 VAL 55 HG12 VAL 55 -13.746 0.922 5.429 236 HG13 VAL 55 HG13 VAL 55 -15.141 -0.010 5.973 237 HG21 VAL 55 HG21 VAL 55 -12.965 -0.840 3.890 238 HG22 VAL 55 HG22 VAL 55 -14.079 -1.568 2.733 239 HG23 VAL 55 HG23 VAL 55 -14.265 -1.887 4.457 240 H ILE 56 HN ILE 56 -17.182 1.267 1.775 241 HA ILE 56 HA ILE 56 -18.805 2.823 3.661 242 HB ILE 56 HB ILE 56 -18.302 4.837 2.264 243 HG12 ILE 56 HG12 ILE 56 -16.142 3.052 1.109 244 HG13 ILE 56 HG11 ILE 56 -17.559 3.618 0.232 245 HG21 ILE 56 HG21 ILE 56 -15.945 3.498 3.582 246 HG22 ILE 56 HG22 ILE 56 -17.196 4.438 4.395 247 HG23 ILE 56 HG23 ILE 56 -16.104 5.224 3.256 248 HD11 ILE 56 HD11 ILE 56 -15.569 4.908 -0.321 249 HD12 ILE 56 HD12 ILE 56 -15.392 5.369 1.372 250 HD13 ILE 56 HD13 ILE 56 -16.794 5.913 0.450 251 H GLY 57 HN GLY 57 -19.268 4.352 0.865 252 HA2 GLY 57 HA2 GLY 57 -21.526 2.597 0.140 253 HA3 GLY 57 HA1 GLY 57 -21.576 4.351 0.044 254 HA PRO 58 HA PRO 58 -20.317 3.934 -4.171 255 HB2 PRO 58 HB2 PRO 58 -19.366 6.387 -4.697 256 HB3 PRO 58 HB1 PRO 58 -21.082 6.110 -4.369 257 HG2 PRO 58 HG2 PRO 58 -18.951 7.160 -2.553 258 HG3 PRO 58 HG1 PRO 58 -20.627 7.704 -2.744 259 HD2 PRO 58 HD2 PRO 58 -19.758 6.055 -0.723 260 HD3 PRO 58 HD1 PRO 58 -21.428 6.107 -1.318 261 H GLN 59 HN GLN 59 -18.204 3.745 -1.748 262 HA GLN 59 HA GLN 59 -15.986 3.306 -1.533 263 HB2 GLN 59 HB2 GLN 59 -16.360 2.637 -4.451 264 HB3 GLN 59 HB1 GLN 59 -14.841 2.380 -3.605 265 HG2 GLN 59 HG2 GLN 59 -15.931 0.311 -3.580 266 HG3 GLN 59 HG1 GLN 59 -16.150 0.973 -1.961 267 HE21 GLN 59 HE21 GLN 59 -17.910 2.029 -4.796 268 HE22 GLN 59 HE22 GLN 59 -19.452 1.435 -4.296 269 H ARG 60 HN ARG 60 -16.878 6.026 -2.229 270 HA ARG 60 HA ARG 60 -14.354 7.035 -3.372 271 HB2 ARG 60 HB2 ARG 60 -17.141 8.179 -3.612 272 HB3 ARG 60 HB1 ARG 60 -15.686 9.044 -4.085 273 HG2 ARG 60 HG2 ARG 60 -16.541 6.402 -5.245 274 HG3 ARG 60 HG1 ARG 60 -16.889 7.973 -5.968 275 HD2 ARG 60 HD2 ARG 60 -14.499 8.426 -6.154 276 HD3 ARG 60 HD1 ARG 60 -14.136 6.873 -5.401 277 HE ARG 60 HE ARG 60 -15.697 6.276 -7.579 278 HH11 ARG 60 HH11 ARG 60 -12.669 7.917 -7.050 279 HH12 ARG 60 HH12 ARG 60 -12.013 7.475 -8.591 280 HH21 ARG 60 HH21 ARG 60 -14.841 5.690 -9.610 281 HH22 ARG 60 HH22 ARG 60 -13.247 6.211 -10.045 Start of MODEL 5 1 H1 ARG 28 HT1 ARG 28 15.547 -2.701 -15.111 2 H2 ARG 28 HT2 ARG 28 17.160 -3.115 -15.408 3 H3 ARG 28 HT3 ARG 28 16.002 -3.299 -16.627 4 HA ARG 28 HA ARG 28 17.423 -1.348 -16.958 5 HB2 ARG 28 HB2 ARG 28 14.520 -0.720 -16.380 6 HB3 ARG 28 HB1 ARG 28 15.592 0.220 -17.410 7 HG2 ARG 28 HG2 ARG 28 15.808 -1.720 -18.910 8 HG3 ARG 28 HG1 ARG 28 14.666 -2.603 -17.897 9 HD2 ARG 28 HD2 ARG 28 14.118 -0.050 -19.406 10 HD3 ARG 28 HD1 ARG 28 13.542 -1.661 -19.835 11 HE ARG 28 HE ARG 28 12.655 -1.182 -17.264 12 HH11 ARG 28 HH11 ARG 28 12.248 0.259 -20.412 13 HH12 ARG 28 HH12 ARG 28 10.650 0.840 -20.081 14 HH21 ARG 28 HH21 ARG 28 10.553 -0.416 -16.820 15 HH22 ARG 28 HH22 ARG 28 9.688 0.459 -18.039 16 H ARG 29 HN ARG 29 15.609 -1.401 -13.959 17 HA ARG 29 HA ARG 29 16.923 1.064 -13.074 18 HB2 ARG 29 HB2 ARG 29 14.672 -0.528 -11.831 19 HB3 ARG 29 HB1 ARG 29 15.335 0.961 -11.171 20 HG2 ARG 29 HG2 ARG 29 14.587 2.199 -13.103 21 HG3 ARG 29 HG1 ARG 29 14.020 0.714 -13.870 22 HD2 ARG 29 HD2 ARG 29 12.383 0.399 -12.104 23 HD3 ARG 29 HD1 ARG 29 12.982 1.830 -11.266 24 HE ARG 29 HE ARG 29 12.281 2.746 -13.733 25 HH11 ARG 29 HH11 ARG 29 10.623 0.973 -11.231 26 HH12 ARG 29 HH12 ARG 29 9.069 1.633 -11.619 27 HH21 ARG 29 HH21 ARG 29 10.240 3.617 -14.248 28 HH22 ARG 29 HH22 ARG 29 8.850 3.134 -13.333 29 H CYS 30 HN CYS 30 17.394 0.959 -10.568 30 HA CYS 30 HA CYS 30 19.572 -0.775 -10.222 31 HB2 CYS 30 HB2 CYS 30 18.000 0.736 -8.128 32 HB3 CYS 30 HB1 CYS 30 19.587 0.014 -7.885 33 HG CYS 30 HG CYS 30 19.079 3.020 -8.602 34 H LEU 31 HN LEU 31 19.864 -2.576 -8.884 35 HA LEU 31 HA LEU 31 17.579 -4.319 -8.752 36 HB2 LEU 31 HB2 LEU 31 20.488 -4.653 -8.074 37 HB3 LEU 31 HB1 LEU 31 19.311 -5.905 -7.734 38 HG LEU 31 HG LEU 31 18.741 -5.907 -10.189 39 HD11 LEU 31 HD11 LEU 31 21.236 -4.225 -10.360 40 HD12 LEU 31 HD12 LEU 31 19.599 -3.711 -10.772 41 HD13 LEU 31 HD13 LEU 31 20.397 -4.962 -11.726 42 HD21 LEU 31 HD21 LEU 31 21.576 -6.592 -9.422 43 HD22 LEU 31 HD22 LEU 31 20.700 -7.225 -10.815 44 HD23 LEU 31 HD23 LEU 31 20.159 -7.615 -9.183 45 H PHE 32 HN PHE 32 16.544 -5.086 -6.976 46 HA PHE 32 HA PHE 32 15.713 -5.157 -4.871 47 HB2 PHE 32 HB2 PHE 32 18.495 -4.349 -4.006 48 HB3 PHE 32 HB1 PHE 32 17.261 -5.105 -3.004 49 HD1 PHE 32 HD1 PHE 32 16.413 -7.425 -3.788 50 HD2 PHE 32 HD2 PHE 32 20.066 -5.659 -5.070 51 HE1 PHE 32 HE1 PHE 32 17.266 -9.648 -4.411 52 HE2 PHE 32 HE2 PHE 32 20.925 -7.876 -5.695 53 HZ PHE 32 HZ PHE 32 19.524 -9.875 -5.365 54 H LEU 33 HN LEU 33 16.229 -2.456 -6.413 55 HA LEU 33 HA LEU 33 15.992 -0.592 -4.198 56 HB2 LEU 33 HB2 LEU 33 17.370 0.088 -6.064 57 HB3 LEU 33 HB1 LEU 33 16.039 -0.141 -7.181 58 HG LEU 33 HG LEU 33 14.812 1.698 -6.036 59 HD11 LEU 33 HD11 LEU 33 16.038 3.172 -4.526 60 HD12 LEU 33 HD12 LEU 33 17.419 2.076 -4.570 61 HD13 LEU 33 HD13 LEU 33 15.894 1.546 -3.857 62 HD21 LEU 33 HD21 LEU 33 16.161 3.509 -6.970 63 HD22 LEU 33 HD22 LEU 33 16.096 2.128 -8.065 64 HD23 LEU 33 HD23 LEU 33 17.541 2.420 -7.098 65 HA PRO 34 HA PRO 34 11.642 -0.010 -6.115 66 HB2 PRO 34 HB2 PRO 34 10.762 -1.653 -8.046 67 HB3 PRO 34 HB1 PRO 34 11.767 -0.245 -8.413 68 HG2 PRO 34 HG2 PRO 34 12.550 -3.124 -8.187 69 HG3 PRO 34 HG1 PRO 34 13.045 -1.922 -9.393 70 HD2 PRO 34 HD2 PRO 34 14.575 -2.633 -7.238 71 HD3 PRO 34 HD1 PRO 34 14.671 -1.052 -8.035 72 H LEU 35 HN LEU 35 13.020 -2.885 -5.104 73 HA LEU 35 HA LEU 35 10.568 -4.343 -4.625 74 HB2 LEU 35 HB2 LEU 35 13.077 -5.169 -5.048 75 HB3 LEU 35 HB1 LEU 35 13.119 -5.100 -3.298 76 HG LEU 35 HG LEU 35 12.605 -7.350 -4.052 77 HD11 LEU 35 HD11 LEU 35 10.185 -6.031 -2.835 78 HD12 LEU 35 HD12 LEU 35 11.612 -6.580 -1.954 79 HD13 LEU 35 HD13 LEU 35 10.579 -7.750 -2.777 80 HD21 LEU 35 HD21 LEU 35 10.207 -6.109 -5.390 81 HD22 LEU 35 HD22 LEU 35 10.522 -7.838 -5.244 82 HD23 LEU 35 HD23 LEU 35 11.603 -6.822 -6.198 83 H PHE 36 HN PHE 36 12.946 -2.520 -2.753 84 HA PHE 36 HA PHE 36 11.980 -3.055 -0.188 85 HB2 PHE 36 HB2 PHE 36 14.138 -1.903 -0.763 86 HB3 PHE 36 HB1 PHE 36 13.206 -0.452 -1.119 87 HD1 PHE 36 HD1 PHE 36 14.281 -2.754 1.536 88 HD2 PHE 36 HD2 PHE 36 12.347 0.924 0.623 89 HE1 PHE 36 HE1 PHE 36 14.402 -2.108 3.906 90 HE2 PHE 36 HE2 PHE 36 12.462 1.578 2.992 91 HZ PHE 36 HZ PHE 36 13.492 0.062 4.638 92 H SER 37 HN SER 37 10.886 -0.771 -2.625 93 HA SER 37 HA SER 37 9.096 0.593 -0.831 94 HB2 SER 37 HB2 SER 37 8.581 0.810 -3.724 95 HB3 SER 37 HB1 SER 37 8.784 2.076 -2.517 96 HG SER 37 HG SER 37 10.490 1.663 -4.258 97 H PHE 38 HN PHE 38 9.001 -2.262 -2.716 98 HA PHE 38 HA PHE 38 6.206 -2.405 -3.168 99 HB2 PHE 38 HB2 PHE 38 7.836 -3.773 -4.413 100 HB3 PHE 38 HB1 PHE 38 8.206 -4.644 -2.934 101 HD1 PHE 38 HD1 PHE 38 5.588 -3.997 -5.443 102 HD2 PHE 38 HD2 PHE 38 6.834 -6.410 -2.167 103 HE1 PHE 38 HE1 PHE 38 3.780 -5.592 -5.935 104 HE2 PHE 38 HE2 PHE 38 5.030 -8.010 -2.654 105 HZ PHE 38 HZ PHE 38 3.499 -7.601 -4.544 106 H LEU 39 HN LEU 39 8.306 -3.334 -0.528 107 HA LEU 39 HA LEU 39 6.319 -4.779 0.928 108 HB2 LEU 39 HB2 LEU 39 9.029 -3.673 1.596 109 HB3 LEU 39 HB1 LEU 39 8.005 -4.333 2.854 110 HG LEU 39 HG LEU 39 7.939 -6.489 1.591 111 HD11 LEU 39 HD11 LEU 39 10.036 -5.139 -0.100 112 HD12 LEU 39 HD12 LEU 39 8.434 -5.654 -0.629 113 HD13 LEU 39 HD13 LEU 39 9.632 -6.855 -0.145 114 HD21 LEU 39 HD21 LEU 39 10.197 -7.177 2.218 115 HD22 LEU 39 HD22 LEU 39 9.467 -6.163 3.462 116 HD23 LEU 39 HD23 LEU 39 10.674 -5.486 2.370 117 H ILE 40 HN ILE 40 7.292 -1.472 0.654 118 HA ILE 40 HA ILE 40 5.804 -0.598 2.982 119 HB ILE 40 HB ILE 40 7.521 0.752 0.933 120 HG12 ILE 40 HG12 ILE 40 7.501 0.854 3.955 121 HG13 ILE 40 HG11 ILE 40 8.481 -0.251 2.997 122 HG21 ILE 40 HG21 ILE 40 5.656 2.241 1.014 123 HG22 ILE 40 HG22 ILE 40 6.961 2.947 1.969 124 HG23 ILE 40 HG23 ILE 40 5.603 2.162 2.776 125 HD11 ILE 40 HD11 ILE 40 9.632 1.665 1.995 126 HD12 ILE 40 HD12 ILE 40 9.800 1.625 3.750 127 HD13 ILE 40 HD13 ILE 40 8.671 2.752 2.998 128 H VAL 41 HN VAL 41 5.391 -0.871 -0.453 129 HA VAL 41 HA VAL 41 3.057 0.821 -0.557 130 HB VAL 41 HB VAL 41 4.833 0.307 -2.425 131 HG11 VAL 41 HG11 VAL 41 4.376 -2.093 -2.442 132 HG12 VAL 41 HG12 VAL 41 4.089 -1.346 -4.013 133 HG13 VAL 41 HG13 VAL 41 2.729 -1.761 -2.969 134 HG21 VAL 41 HG21 VAL 41 1.884 0.624 -2.972 135 HG22 VAL 41 HG22 VAL 41 3.181 0.982 -4.112 136 HG23 VAL 41 HG23 VAL 41 3.026 1.923 -2.629 137 H ALA 42 HN ALA 42 3.801 -2.515 -0.153 138 HA ALA 42 HA ALA 42 1.512 -3.801 -0.977 139 HB1 ALA 42 HB1 ALA 42 3.117 -4.426 1.500 140 HB2 ALA 42 HB2 ALA 42 3.501 -4.955 -0.138 141 HB3 ALA 42 HB3 ALA 42 2.034 -5.532 0.653 142 H GLY 43 HN GLY 43 2.066 -2.096 2.083 143 HA2 GLY 43 HA2 GLY 43 -0.477 -2.779 3.193 144 HA3 GLY 43 HA1 GLY 43 0.615 -1.537 3.787 145 H ALA 44 HN ALA 44 0.741 -0.036 1.342 146 HA ALA 44 HA ALA 44 -1.494 1.650 1.710 147 HB1 ALA 44 HB1 ALA 44 -0.626 2.911 -0.182 148 HB2 ALA 44 HB2 ALA 44 0.449 1.576 -0.598 149 HB3 ALA 44 HB3 ALA 44 0.680 2.456 0.913 150 H THR 45 HN THR 45 -0.711 -0.772 -0.746 151 HA THR 45 HA THR 45 -2.958 -0.263 -2.398 152 HB THR 45 HB THR 45 -2.468 -2.475 -3.408 153 HG1 THR 45 HG1 THR 45 -1.560 -3.841 -2.059 154 HG21 THR 45 HG21 THR 45 -0.030 -0.759 -2.934 155 HG22 THR 45 HG22 THR 45 -1.265 -0.480 -4.161 156 HG23 THR 45 HG23 THR 45 -0.242 -1.914 -4.250 157 H THR 46 HN THR 46 -2.354 -2.500 0.268 158 HA THR 46 HA THR 46 -4.676 -4.039 0.080 159 HB THR 46 HB THR 46 -3.202 -3.237 2.600 160 HG1 THR 46 HG1 THR 46 -1.786 -4.738 2.071 161 HG21 THR 46 HG21 THR 46 -4.134 -5.304 3.541 162 HG22 THR 46 HG22 THR 46 -5.046 -5.568 2.054 163 HG23 THR 46 HG23 THR 46 -5.408 -4.176 3.076 164 H LEU 47 HN LEU 47 -4.151 -0.816 1.268 165 HA LEU 47 HA LEU 47 -6.609 -0.594 2.717 166 HB2 LEU 47 HB2 LEU 47 -4.408 0.802 2.895 167 HB3 LEU 47 HB1 LEU 47 -5.114 1.748 1.599 168 HG LEU 47 HG LEU 47 -7.153 2.013 3.131 169 HD11 LEU 47 HD11 LEU 47 -6.698 1.816 5.523 170 HD12 LEU 47 HD12 LEU 47 -5.118 1.119 5.166 171 HD13 LEU 47 HD13 LEU 47 -6.586 0.252 4.715 172 HD21 LEU 47 HD21 LEU 47 -6.081 3.869 4.357 173 HD22 LEU 47 HD22 LEU 47 -5.660 3.846 2.645 174 HD23 LEU 47 HD23 LEU 47 -4.504 3.266 3.845 175 H PHE 48 HN PHE 48 -5.484 0.459 -0.476 176 HA PHE 48 HA PHE 48 -7.819 1.784 -1.280 177 HB2 PHE 48 HB2 PHE 48 -5.726 2.065 -2.482 178 HB3 PHE 48 HB1 PHE 48 -5.718 0.363 -2.930 179 HD1 PHE 48 HD1 PHE 48 -7.536 3.550 -3.402 180 HD2 PHE 48 HD2 PHE 48 -6.815 -0.380 -4.865 181 HE1 PHE 48 HE1 PHE 48 -8.758 4.099 -5.464 182 HE2 PHE 48 HE2 PHE 48 -8.035 0.162 -6.932 183 HZ PHE 48 HZ PHE 48 -9.003 2.391 -7.240 184 H CYS 49 HN CYS 49 -6.796 -1.584 -1.698 185 HA CYS 49 HA CYS 49 -9.141 -2.351 -3.141 186 HB2 CYS 49 HB2 CYS 49 -7.025 -3.559 -3.399 187 HB3 CYS 49 HB1 CYS 49 -7.082 -4.044 -1.709 188 HG CYS 49 HG CYS 49 -9.793 -5.231 -2.476 189 H LEU 50 HN LEU 50 -8.342 -2.032 0.197 190 HA LEU 50 HA LEU 50 -10.106 -3.877 1.349 191 HB2 LEU 50 HB2 LEU 50 -8.269 -2.227 2.349 192 HB3 LEU 50 HB1 LEU 50 -9.684 -1.250 2.675 193 HG LEU 50 HG LEU 50 -10.658 -3.195 3.919 194 HD11 LEU 50 HD11 LEU 50 -9.416 -4.999 2.915 195 HD12 LEU 50 HD12 LEU 50 -9.075 -4.954 4.644 196 HD13 LEU 50 HD13 LEU 50 -7.895 -4.323 3.495 197 HD21 LEU 50 HD21 LEU 50 -9.276 -2.873 5.904 198 HD22 LEU 50 HD22 LEU 50 -9.561 -1.342 5.076 199 HD23 LEU 50 HD23 LEU 50 -8.006 -2.157 4.913 200 H LEU 51 HN LEU 51 -10.601 -0.359 0.991 201 HA LEU 51 HA LEU 51 -13.357 -0.474 1.637 202 HB2 LEU 51 HB2 LEU 51 -11.794 1.664 0.189 203 HB3 LEU 51 HB1 LEU 51 -13.417 1.857 0.822 204 HG LEU 51 HG LEU 51 -10.990 1.262 2.517 205 HD11 LEU 51 HD11 LEU 51 -10.804 3.462 1.500 206 HD12 LEU 51 HD12 LEU 51 -11.154 3.601 3.223 207 HD13 LEU 51 HD13 LEU 51 -12.434 3.865 2.039 208 HD21 LEU 51 HD21 LEU 51 -13.084 0.476 3.488 209 HD22 LEU 51 HD22 LEU 51 -13.803 2.069 3.252 210 HD23 LEU 51 HD23 LEU 51 -12.460 1.865 4.377 211 H HIS 52 HN HIS 52 -11.599 -0.843 -1.340 212 HA HIS 52 HA HIS 52 -13.859 -0.381 -3.048 213 HB2 HIS 52 HB2 HIS 52 -11.449 -0.063 -3.726 214 HB3 HIS 52 HB1 HIS 52 -11.294 -1.817 -3.747 215 HD1 HIS 52 HD1 HIS 52 -11.941 -2.970 -5.863 216 HD2 HIS 52 HD2 HIS 52 -13.380 0.924 -5.685 217 HE1 HIS 52 HE1 HIS 52 -12.938 -2.517 -8.128 218 HE2 HIS 52 HE2 HIS 52 -13.834 -0.167 -7.986 219 H PHE 53 HN PHE 53 -12.733 -3.002 -1.184 220 HA PHE 53 HA PHE 53 -13.690 -5.157 -2.745 221 HB2 PHE 53 HB2 PHE 53 -12.084 -5.407 -0.868 222 HB3 PHE 53 HB1 PHE 53 -13.377 -5.015 0.260 223 HD1 PHE 53 HD1 PHE 53 -12.221 -7.496 -2.214 224 HD2 PHE 53 HD2 PHE 53 -14.930 -6.645 0.955 225 HE1 PHE 53 HE1 PHE 53 -12.850 -9.872 -2.119 226 HE2 PHE 53 HE2 PHE 53 -15.564 -9.021 1.058 227 HZ PHE 53 HZ PHE 53 -14.523 -10.637 -0.482 228 H GLY 54 HN GLY 54 -15.257 -2.852 -0.701 229 HA2 GLY 54 HA2 GLY 54 -17.667 -2.583 -1.116 230 HA3 GLY 54 HA1 GLY 54 -17.791 -4.334 -1.047 231 H VAL 55 HN VAL 55 -15.764 -2.585 1.180 232 HA VAL 55 HA VAL 55 -17.068 -3.706 3.434 233 HB VAL 55 HB VAL 55 -15.071 -1.442 3.322 234 HG11 VAL 55 HG11 VAL 55 -14.618 -2.010 5.670 235 HG12 VAL 55 HG12 VAL 55 -15.939 -3.176 5.635 236 HG13 VAL 55 HG13 VAL 55 -16.275 -1.457 5.433 237 HG21 VAL 55 HG21 VAL 55 -14.657 -4.395 3.784 238 HG22 VAL 55 HG22 VAL 55 -13.407 -3.151 3.840 239 HG23 VAL 55 HG23 VAL 55 -14.231 -3.508 2.321 240 H ILE 56 HN ILE 56 -17.210 -0.580 1.861 241 HA ILE 56 HA ILE 56 -19.365 0.198 3.710 242 HB ILE 56 HB ILE 56 -18.798 2.575 3.038 243 HG12 ILE 56 HG12 ILE 56 -16.204 1.283 2.171 244 HG13 ILE 56 HG11 ILE 56 -17.412 1.936 1.068 245 HG21 ILE 56 HG21 ILE 56 -16.761 1.002 4.609 246 HG22 ILE 56 HG22 ILE 56 -18.269 1.674 5.232 247 HG23 ILE 56 HG23 ILE 56 -16.986 2.751 4.680 248 HD11 ILE 56 HD11 ILE 56 -17.072 4.157 1.992 249 HD12 ILE 56 HD12 ILE 56 -15.555 3.477 1.401 250 HD13 ILE 56 HD13 ILE 56 -15.892 3.513 3.133 251 H GLY 57 HN GLY 57 -18.476 -0.452 0.519 252 HA2 GLY 57 HA2 GLY 57 -19.640 -0.443 -1.461 253 HA3 GLY 57 HA1 GLY 57 -21.094 -0.338 -0.481 254 HA PRO 58 HA PRO 58 -20.690 3.671 -2.756 255 HB2 PRO 58 HB2 PRO 58 -22.962 3.589 -4.162 256 HB3 PRO 58 HB1 PRO 58 -21.525 2.712 -4.696 257 HG2 PRO 58 HG2 PRO 58 -23.962 1.686 -3.302 258 HG3 PRO 58 HG1 PRO 58 -23.035 0.954 -4.623 259 HD2 PRO 58 HD2 PRO 58 -22.791 0.271 -1.955 260 HD3 PRO 58 HD1 PRO 58 -21.549 -0.013 -3.191 261 H GLN 59 HN GLN 59 -21.853 2.869 -0.085 262 HA GLN 59 HA GLN 59 -23.050 3.816 1.588 263 HB2 GLN 59 HB2 GLN 59 -23.241 6.113 -0.363 264 HB3 GLN 59 HB1 GLN 59 -23.792 6.188 1.303 265 HG2 GLN 59 HG2 GLN 59 -21.479 5.675 2.034 266 HG3 GLN 59 HG1 GLN 59 -20.972 5.767 0.347 267 HE21 GLN 59 HE21 GLN 59 -21.020 7.771 -0.711 268 HE22 GLN 59 HE22 GLN 59 -21.056 9.257 0.167 269 H ARG 60 HN ARG 60 -25.187 4.109 2.322 270 HA ARG 60 HA ARG 60 -27.158 2.959 0.537 271 HB2 ARG 60 HB2 ARG 60 -27.281 3.706 3.463 272 HB3 ARG 60 HB1 ARG 60 -28.612 2.974 2.579 273 HG2 ARG 60 HG2 ARG 60 -27.587 1.203 3.705 274 HG3 ARG 60 HG1 ARG 60 -27.008 1.075 2.044 275 HD2 ARG 60 HD2 ARG 60 -25.207 0.739 3.678 276 HD3 ARG 60 HD1 ARG 60 -24.922 2.149 2.661 277 HE ARG 60 HE ARG 60 -26.238 2.800 5.120 278 HH11 ARG 60 HH11 ARG 60 -23.146 2.175 3.638 279 HH12 ARG 60 HH12 ARG 60 -22.256 3.088 4.809 280 HH21 ARG 60 HH21 ARG 60 -25.070 4.005 6.666 281 HH22 ARG 60 HH22 ARG 60 -23.348 4.126 6.531 Start of MODEL 6 1 H1 ARG 28 HT1 ARG 28 22.498 -4.333 6.652 2 H2 ARG 28 HT2 ARG 28 21.232 -4.508 7.760 3 H3 ARG 28 HT3 ARG 28 22.262 -5.810 7.444 4 HA ARG 28 HA ARG 28 22.768 -4.780 9.566 5 HB2 ARG 28 HB2 ARG 28 24.904 -4.307 7.478 6 HB3 ARG 28 HB1 ARG 28 25.170 -4.503 9.204 7 HG2 ARG 28 HG2 ARG 28 24.380 -6.792 9.094 8 HG3 ARG 28 HG1 ARG 28 24.028 -6.605 7.374 9 HD2 ARG 28 HD2 ARG 28 26.740 -6.445 8.686 10 HD3 ARG 28 HD1 ARG 28 26.138 -7.760 7.678 11 HE ARG 28 HE ARG 28 26.123 -5.202 6.368 12 HH11 ARG 28 HH11 ARG 28 28.027 -8.023 7.122 13 HH12 ARG 28 HH12 ARG 28 29.110 -7.807 5.788 14 HH21 ARG 28 HH21 ARG 28 27.544 -4.910 4.611 15 HH22 ARG 28 HH22 ARG 28 28.836 -6.036 4.361 16 H ARG 29 HN ARG 29 23.766 -2.586 6.933 17 HA ARG 29 HA ARG 29 23.495 -0.333 8.785 18 HB2 ARG 29 HB2 ARG 29 25.621 -0.542 7.572 19 HB3 ARG 29 HB1 ARG 29 24.760 -0.464 6.041 20 HG2 ARG 29 HG2 ARG 29 24.044 1.802 6.534 21 HG3 ARG 29 HG1 ARG 29 24.846 1.728 8.104 22 HD2 ARG 29 HD2 ARG 29 27.001 1.406 6.970 23 HD3 ARG 29 HD1 ARG 29 26.187 1.523 5.410 24 HE ARG 29 HE ARG 29 25.525 3.825 6.751 25 HH11 ARG 29 HH11 ARG 29 28.480 2.274 5.742 26 HH12 ARG 29 HH12 ARG 29 29.348 3.762 5.558 27 HH21 ARG 29 HH21 ARG 29 26.660 5.784 6.514 28 HH22 ARG 29 HH22 ARG 29 28.313 5.756 5.999 29 H CYS 30 HN CYS 30 22.036 1.275 8.512 30 HA CYS 30 HA CYS 30 20.177 1.012 6.240 31 HB2 CYS 30 HB2 CYS 30 19.626 2.057 9.025 32 HB3 CYS 30 HB1 CYS 30 18.457 2.002 7.710 33 HG CYS 30 HG CYS 30 19.734 -0.994 8.135 34 H LEU 31 HN LEU 31 20.781 2.497 4.784 35 HA LEU 31 HA LEU 31 21.212 5.253 5.733 36 HB2 LEU 31 HB2 LEU 31 23.255 4.284 4.818 37 HB3 LEU 31 HB1 LEU 31 22.417 3.876 3.334 38 HG LEU 31 HG LEU 31 22.082 6.292 2.888 39 HD11 LEU 31 HD11 LEU 31 23.828 6.651 5.320 40 HD12 LEU 31 HD12 LEU 31 22.133 7.117 5.172 41 HD13 LEU 31 HD13 LEU 31 23.359 7.925 4.194 42 HD21 LEU 31 HD21 LEU 31 24.407 6.773 2.300 43 HD22 LEU 31 HD22 LEU 31 23.968 5.111 1.905 44 HD23 LEU 31 HD23 LEU 31 24.941 5.449 3.337 45 H PHE 32 HN PHE 32 19.829 3.208 3.213 46 HA PHE 32 HA PHE 32 17.807 5.229 2.708 47 HB2 PHE 32 HB2 PHE 32 19.643 5.764 1.119 48 HB3 PHE 32 HB1 PHE 32 19.504 4.141 0.451 49 HD1 PHE 32 HD1 PHE 32 17.429 7.162 1.125 50 HD2 PHE 32 HD2 PHE 32 18.164 3.809 -1.390 51 HE1 PHE 32 HE1 PHE 32 15.703 7.960 -0.436 52 HE2 PHE 32 HE2 PHE 32 16.441 4.601 -2.957 53 HZ PHE 32 HZ PHE 32 15.209 6.684 -2.480 54 H LEU 33 HN LEU 33 19.104 2.139 1.511 55 HA LEU 33 HA LEU 33 18.018 0.305 0.651 56 HB2 LEU 33 HB2 LEU 33 16.596 -0.786 2.438 57 HB3 LEU 33 HB1 LEU 33 18.259 -0.419 2.844 58 HG LEU 33 HG LEU 33 16.151 1.554 3.598 59 HD11 LEU 33 HD11 LEU 33 16.715 -0.997 5.104 60 HD12 LEU 33 HD12 LEU 33 15.204 -0.577 4.297 61 HD13 LEU 33 HD13 LEU 33 15.747 0.355 5.692 62 HD21 LEU 33 HD21 LEU 33 18.687 0.600 4.925 63 HD22 LEU 33 HD22 LEU 33 17.650 1.909 5.492 64 HD23 LEU 33 HD23 LEU 33 18.514 2.067 3.962 65 HA PRO 34 HA PRO 34 14.243 2.268 -1.036 66 HB2 PRO 34 HB2 PRO 34 14.367 0.892 -3.394 67 HB3 PRO 34 HB1 PRO 34 15.223 2.410 -3.100 68 HG2 PRO 34 HG2 PRO 34 16.245 -0.400 -2.967 69 HG3 PRO 34 HG1 PRO 34 17.017 1.042 -3.654 70 HD2 PRO 34 HD2 PRO 34 17.692 0.081 -1.225 71 HD3 PRO 34 HD1 PRO 34 17.693 1.820 -1.584 72 H LEU 35 HN LEU 35 15.088 -0.849 -0.096 73 HA LEU 35 HA LEU 35 12.827 -2.294 -1.038 74 HB2 LEU 35 HB2 LEU 35 14.885 -3.420 -0.382 75 HB3 LEU 35 HB1 LEU 35 14.701 -2.844 1.263 76 HG LEU 35 HG LEU 35 12.527 -4.525 0.097 77 HD11 LEU 35 HD11 LEU 35 15.130 -5.606 1.165 78 HD12 LEU 35 HD12 LEU 35 14.558 -5.726 -0.499 79 HD13 LEU 35 HD13 LEU 35 13.692 -6.556 0.794 80 HD21 LEU 35 HD21 LEU 35 12.212 -3.550 2.294 81 HD22 LEU 35 HD22 LEU 35 13.738 -4.240 2.846 82 HD23 LEU 35 HD23 LEU 35 12.390 -5.299 2.432 83 H PHE 36 HN PHE 36 13.530 -0.447 1.861 84 HA PHE 36 HA PHE 36 11.478 -1.263 3.528 85 HB2 PHE 36 HB2 PHE 36 13.318 0.299 4.142 86 HB3 PHE 36 HB1 PHE 36 12.508 1.565 3.227 87 HD1 PHE 36 HD1 PHE 36 12.078 -0.738 6.100 88 HD2 PHE 36 HD2 PHE 36 10.849 2.871 4.212 89 HE1 PHE 36 HE1 PHE 36 10.756 -0.151 8.092 90 HE2 PHE 36 HE2 PHE 36 9.527 3.466 6.199 91 HZ PHE 36 HZ PHE 36 9.480 1.955 8.142 92 H SER 37 HN SER 37 11.328 0.665 0.654 93 HA SER 37 HA SER 37 8.691 1.701 1.203 94 HB2 SER 37 HB2 SER 37 8.832 2.755 -0.943 95 HB3 SER 37 HB1 SER 37 10.420 2.893 -0.188 96 HG SER 37 HG SER 37 11.166 1.924 -1.880 97 H PHE 38 HN PHE 38 10.098 -1.026 -0.454 98 HA PHE 38 HA PHE 38 7.966 -1.787 -2.076 99 HB2 PHE 38 HB2 PHE 38 10.161 -2.833 -2.235 100 HB3 PHE 38 HB1 PHE 38 9.958 -3.532 -0.636 101 HD1 PHE 38 HD1 PHE 38 8.608 -3.564 -4.082 102 HD2 PHE 38 HD2 PHE 38 8.874 -5.588 -0.348 103 HE1 PHE 38 HE1 PHE 38 7.575 -5.555 -5.092 104 HE2 PHE 38 HE2 PHE 38 7.843 -7.582 -1.351 105 HZ PHE 38 HZ PHE 38 7.180 -7.561 -3.729 106 H LEU 39 HN LEU 39 8.512 -2.197 1.345 107 HA LEU 39 HA LEU 39 6.276 -3.968 1.739 108 HB2 LEU 39 HB2 LEU 39 8.204 -2.541 3.538 109 HB3 LEU 39 HB1 LEU 39 6.764 -3.274 4.210 110 HG LEU 39 HG LEU 39 7.476 -5.464 3.315 111 HD11 LEU 39 HD11 LEU 39 9.775 -5.720 2.483 112 HD12 LEU 39 HD12 LEU 39 9.959 -3.967 2.490 113 HD13 LEU 39 HD13 LEU 39 8.784 -4.726 1.417 114 HD21 LEU 39 HD21 LEU 39 8.051 -4.788 5.603 115 HD22 LEU 39 HD22 LEU 39 9.566 -4.106 5.012 116 HD23 LEU 39 HD23 LEU 39 9.277 -5.842 4.898 117 H ILE 40 HN ILE 40 6.838 -0.579 1.635 118 HA ILE 40 HA ILE 40 4.484 0.204 3.080 119 HB ILE 40 HB ILE 40 6.374 1.747 1.302 120 HG12 ILE 40 HG12 ILE 40 5.981 1.794 4.302 121 HG13 ILE 40 HG11 ILE 40 7.263 0.919 3.472 122 HG21 ILE 40 HG21 ILE 40 4.081 2.792 2.957 123 HG22 ILE 40 HG22 ILE 40 4.197 2.804 1.197 124 HG23 ILE 40 HG23 ILE 40 5.302 3.784 2.160 125 HD11 ILE 40 HD11 ILE 40 6.865 3.902 3.419 126 HD12 ILE 40 HD12 ILE 40 8.171 3.010 2.638 127 HD13 ILE 40 HD13 ILE 40 8.047 3.033 4.397 128 H VAL 41 HN VAL 41 5.324 -0.449 -0.248 129 HA VAL 41 HA VAL 41 2.924 0.717 -1.337 130 HB VAL 41 HB VAL 41 4.959 -1.105 -2.633 131 HG11 VAL 41 HG11 VAL 41 4.010 -0.294 -4.756 132 HG12 VAL 41 HG12 VAL 41 2.755 0.556 -3.853 133 HG13 VAL 41 HG13 VAL 41 2.839 -1.205 -3.804 134 HG21 VAL 41 HG21 VAL 41 5.912 1.019 -1.884 135 HG22 VAL 41 HG22 VAL 41 4.656 1.895 -2.760 136 HG23 VAL 41 HG23 VAL 41 5.842 0.933 -3.644 137 H ALA 42 HN ALA 42 4.099 -2.539 -0.598 138 HA ALA 42 HA ALA 42 1.994 -3.986 -1.750 139 HB1 ALA 42 HB1 ALA 42 4.109 -4.994 -1.002 140 HB2 ALA 42 HB2 ALA 42 2.701 -5.835 -0.353 141 HB3 ALA 42 HB3 ALA 42 3.624 -4.738 0.674 142 H GLY 43 HN GLY 43 2.306 -2.437 1.397 143 HA2 GLY 43 HA2 GLY 43 -0.152 -3.553 2.410 144 HA3 GLY 43 HA1 GLY 43 0.824 -2.308 3.177 145 H ALA 44 HN ALA 44 0.782 -0.700 0.660 146 HA ALA 44 HA ALA 44 -1.476 0.897 1.277 147 HB1 ALA 44 HB1 ALA 44 0.576 1.852 0.374 148 HB2 ALA 44 HB2 ALA 44 -0.801 2.239 -0.657 149 HB3 ALA 44 HB3 ALA 44 0.333 0.976 -1.136 150 H THR 45 HN THR 45 -0.811 -1.521 -1.188 151 HA THR 45 HA THR 45 -3.106 -1.035 -2.779 152 HB THR 45 HB THR 45 -2.683 -3.300 -3.715 153 HG1 THR 45 HG1 THR 45 -0.377 -3.450 -2.095 154 HG21 THR 45 HG21 THR 45 -1.499 -1.335 -4.593 155 HG22 THR 45 HG22 THR 45 -0.501 -2.787 -4.681 156 HG23 THR 45 HG23 THR 45 -0.209 -1.593 -3.417 157 H THR 46 HN THR 46 -2.544 -2.835 0.136 158 HA THR 46 HA THR 46 -4.905 -4.439 0.001 159 HB THR 46 HB THR 46 -3.220 -3.707 2.405 160 HG1 THR 46 HG1 THR 46 -2.970 -6.247 1.519 161 HG21 THR 46 HG21 THR 46 -5.444 -4.508 3.037 162 HG22 THR 46 HG22 THR 46 -4.207 -5.699 3.437 163 HG23 THR 46 HG23 THR 46 -5.227 -5.931 2.017 164 H LEU 47 HN LEU 47 -4.050 -1.368 1.526 165 HA LEU 47 HA LEU 47 -6.538 -1.042 2.882 166 HB2 LEU 47 HB2 LEU 47 -4.369 0.063 3.506 167 HB3 LEU 47 HB1 LEU 47 -4.552 1.094 2.101 168 HG LEU 47 HG LEU 47 -6.749 1.023 4.125 169 HD11 LEU 47 HD11 LEU 47 -5.645 2.788 5.404 170 HD12 LEU 47 HD12 LEU 47 -4.199 2.608 4.410 171 HD13 LEU 47 HD13 LEU 47 -4.721 1.287 5.454 172 HD21 LEU 47 HD21 LEU 47 -5.602 3.152 2.322 173 HD22 LEU 47 HD22 LEU 47 -6.951 3.382 3.435 174 HD23 LEU 47 HD23 LEU 47 -7.107 2.266 2.078 175 H PHE 48 HN PHE 48 -5.236 0.021 -0.215 176 HA PHE 48 HA PHE 48 -7.333 1.770 -0.914 177 HB2 PHE 48 HB2 PHE 48 -5.097 1.675 -2.030 178 HB3 PHE 48 HB1 PHE 48 -5.584 0.163 -2.788 179 HD1 PHE 48 HD1 PHE 48 -6.102 3.787 -2.698 180 HD2 PHE 48 HD2 PHE 48 -7.148 0.132 -4.611 181 HE1 PHE 48 HE1 PHE 48 -7.113 5.051 -4.550 182 HE2 PHE 48 HE2 PHE 48 -8.160 1.391 -6.468 183 HZ PHE 48 HZ PHE 48 -8.143 3.854 -6.439 184 H CYS 49 HN CYS 49 -6.808 -1.674 -1.548 185 HA CYS 49 HA CYS 49 -9.238 -1.966 -3.040 186 HB2 CYS 49 HB2 CYS 49 -7.309 -3.419 -3.457 187 HB3 CYS 49 HB1 CYS 49 -7.426 -4.059 -1.821 188 HG CYS 49 HG CYS 49 -9.237 -4.809 -4.552 189 H LEU 50 HN LEU 50 -8.369 -2.077 0.295 190 HA LEU 50 HA LEU 50 -10.309 -3.759 1.371 191 HB2 LEU 50 HB2 LEU 50 -8.340 -2.229 2.384 192 HB3 LEU 50 HB1 LEU 50 -9.751 -1.312 2.880 193 HG LEU 50 HG LEU 50 -9.099 -2.843 4.610 194 HD11 LEU 50 HD11 LEU 50 -11.628 -3.761 3.282 195 HD12 LEU 50 HD12 LEU 50 -11.474 -2.374 4.360 196 HD13 LEU 50 HD13 LEU 50 -11.198 -4.004 4.975 197 HD21 LEU 50 HD21 LEU 50 -7.962 -4.517 3.279 198 HD22 LEU 50 HD22 LEU 50 -9.503 -5.022 2.584 199 HD23 LEU 50 HD23 LEU 50 -9.188 -5.268 4.302 200 H LEU 51 HN LEU 51 -10.473 -0.207 1.248 201 HA LEU 51 HA LEU 51 -13.214 -0.065 1.887 202 HB2 LEU 51 HB2 LEU 51 -11.507 1.959 0.438 203 HB3 LEU 51 HB1 LEU 51 -13.061 2.280 1.183 204 HG LEU 51 HG LEU 51 -10.560 1.446 2.657 205 HD11 LEU 51 HD11 LEU 51 -11.952 4.116 2.527 206 HD12 LEU 51 HD12 LEU 51 -10.422 3.715 1.748 207 HD13 LEU 51 HD13 LEU 51 -10.541 3.723 3.508 208 HD21 LEU 51 HD21 LEU 51 -13.277 2.266 3.677 209 HD22 LEU 51 HD22 LEU 51 -11.851 1.981 4.673 210 HD23 LEU 51 HD23 LEU 51 -12.572 0.652 3.766 211 H HIS 52 HN HIS 52 -11.524 -0.388 -1.155 212 HA HIS 52 HA HIS 52 -13.742 0.287 -2.821 213 HB2 HIS 52 HB2 HIS 52 -11.419 0.443 -3.612 214 HB3 HIS 52 HB1 HIS 52 -11.245 -1.301 -3.456 215 HD1 HIS 52 HD1 HIS 52 -12.045 -2.724 -5.376 216 HD2 HIS 52 HD2 HIS 52 -13.161 1.261 -5.749 217 HE1 HIS 52 HE1 HIS 52 -12.980 -2.503 -7.699 218 HE2 HIS 52 HE2 HIS 52 -13.746 -0.109 -7.864 219 H PHE 53 HN PHE 53 -12.907 -2.481 -1.019 220 HA PHE 53 HA PHE 53 -13.970 -4.542 -2.584 221 HB2 PHE 53 HB2 PHE 53 -12.589 -4.891 -0.561 222 HB3 PHE 53 HB1 PHE 53 -13.931 -4.336 0.433 223 HD1 PHE 53 HD1 PHE 53 -13.000 -6.939 -2.047 224 HD2 PHE 53 HD2 PHE 53 -15.507 -5.846 1.212 225 HE1 PHE 53 HE1 PHE 53 -13.863 -9.240 -1.944 226 HE2 PHE 53 HE2 PHE 53 -16.375 -8.145 1.321 227 HZ PHE 53 HZ PHE 53 -15.553 -9.846 -0.258 228 H GLY 54 HN GLY 54 -15.548 -1.961 -1.013 229 HA2 GLY 54 HA2 GLY 54 -17.879 -1.593 -1.648 230 HA3 GLY 54 HA1 GLY 54 -18.141 -3.316 -1.429 231 H VAL 55 HN VAL 55 -16.211 -1.469 0.804 232 HA VAL 55 HA VAL 55 -17.863 -2.256 2.999 233 HB VAL 55 HB VAL 55 -15.587 -0.271 3.008 234 HG11 VAL 55 HG11 VAL 55 -15.378 -0.912 5.374 235 HG12 VAL 55 HG12 VAL 55 -16.816 -1.921 5.214 236 HG13 VAL 55 HG13 VAL 55 -16.939 -0.173 5.019 237 HG21 VAL 55 HG21 VAL 55 -14.163 -2.161 3.647 238 HG22 VAL 55 HG22 VAL 55 -14.860 -2.383 2.042 239 HG23 VAL 55 HG23 VAL 55 -15.525 -3.259 3.421 240 H ILE 56 HN ILE 56 -17.792 0.475 0.914 241 HA ILE 56 HA ILE 56 -19.896 1.718 2.510 242 HB ILE 56 HB ILE 56 -18.798 3.995 1.933 243 HG12 ILE 56 HG12 ILE 56 -16.319 2.268 2.044 244 HG13 ILE 56 HG11 ILE 56 -16.993 2.878 0.537 245 HG21 ILE 56 HG21 ILE 56 -19.161 3.190 4.188 246 HG22 ILE 56 HG22 ILE 56 -17.578 3.958 4.063 247 HG23 ILE 56 HG23 ILE 56 -17.706 2.199 4.092 248 HD11 ILE 56 HD11 ILE 56 -16.674 5.172 1.350 249 HD12 ILE 56 HD12 ILE 56 -15.163 4.266 1.272 250 HD13 ILE 56 HD13 ILE 56 -15.952 4.531 2.826 251 H GLY 57 HN GLY 57 -18.658 3.798 0.158 252 HA2 GLY 57 HA2 GLY 57 -20.964 3.930 -1.354 253 HA3 GLY 57 HA1 GLY 57 -19.387 4.467 -1.902 254 HA PRO 58 HA PRO 58 -18.752 1.169 -4.779 255 HB2 PRO 58 HB2 PRO 58 -17.182 -0.790 -3.573 256 HB3 PRO 58 HB1 PRO 58 -16.583 0.636 -4.424 257 HG2 PRO 58 HG2 PRO 58 -16.957 0.190 -1.496 258 HG3 PRO 58 HG1 PRO 58 -15.657 1.048 -2.347 259 HD2 PRO 58 HD2 PRO 58 -17.597 2.384 -1.092 260 HD3 PRO 58 HD1 PRO 58 -16.947 2.961 -2.641 261 H GLN 59 HN GLN 59 -20.178 0.395 -1.784 262 HA GLN 59 HA GLN 59 -20.817 -2.334 -2.291 263 HB2 GLN 59 HB2 GLN 59 -20.836 -1.355 -0.024 264 HB3 GLN 59 HB1 GLN 59 -22.205 -0.352 -0.476 265 HG2 GLN 59 HG2 GLN 59 -23.083 -2.158 0.745 266 HG3 GLN 59 HG1 GLN 59 -23.468 -2.475 -0.944 267 HE21 GLN 59 HE21 GLN 59 -23.285 -4.326 1.287 268 HE22 GLN 59 HE22 GLN 59 -22.094 -5.499 0.850 269 H ARG 60 HN ARG 60 -21.713 -2.546 -4.328 270 HA ARG 60 HA ARG 60 -24.405 -1.391 -4.633 271 HB2 ARG 60 HB2 ARG 60 -23.935 -1.495 -7.139 272 HB3 ARG 60 HB1 ARG 60 -23.124 -0.229 -6.229 273 HG2 ARG 60 HG2 ARG 60 -21.084 -1.597 -6.172 274 HG3 ARG 60 HG1 ARG 60 -21.905 -2.832 -7.128 275 HD2 ARG 60 HD2 ARG 60 -20.508 -1.428 -8.543 276 HD3 ARG 60 HD1 ARG 60 -22.213 -1.225 -8.944 277 HE ARG 60 HE ARG 60 -21.726 0.773 -7.172 278 HH11 ARG 60 HH11 ARG 60 -20.219 -0.242 -10.145 279 HH12 ARG 60 HH12 ARG 60 -19.714 1.355 -10.586 280 HH21 ARG 60 HH21 ARG 60 -21.062 2.880 -7.743 281 HH22 ARG 60 HH22 ARG 60 -20.192 3.130 -9.219 Start of MODEL 7 1 H1 ARG 28 HT1 ARG 28 17.826 12.162 1.181 2 H2 ARG 28 HT2 ARG 28 19.404 11.876 0.644 3 H3 ARG 28 HT3 ARG 28 18.961 11.464 2.223 4 HA ARG 28 HA ARG 28 17.414 9.816 1.393 5 HB2 ARG 28 HB2 ARG 28 16.869 10.834 -0.734 6 HB3 ARG 28 HB1 ARG 28 18.531 10.668 -1.284 7 HG2 ARG 28 HG2 ARG 28 18.324 8.262 -1.312 8 HG3 ARG 28 HG1 ARG 28 16.696 8.369 -0.642 9 HD2 ARG 28 HD2 ARG 28 16.760 7.993 -3.102 10 HD3 ARG 28 HD1 ARG 28 15.881 9.443 -2.618 11 HE ARG 28 HE ARG 28 18.525 10.168 -3.156 12 HH11 ARG 28 HH11 ARG 28 15.728 8.957 -4.843 13 HH12 ARG 28 HH12 ARG 28 16.148 9.709 -6.346 14 HH21 ARG 28 HH21 ARG 28 19.087 11.163 -5.131 15 HH22 ARG 28 HH22 ARG 28 18.057 10.963 -6.509 16 H ARG 29 HN ARG 29 18.181 7.828 1.761 17 HA ARG 29 HA ARG 29 21.001 7.284 1.117 18 HB2 ARG 29 HB2 ARG 29 20.785 7.748 3.513 19 HB3 ARG 29 HB1 ARG 29 19.537 6.517 3.649 20 HG2 ARG 29 HG2 ARG 29 21.183 4.811 2.983 21 HG3 ARG 29 HG1 ARG 29 22.426 6.062 2.934 22 HD2 ARG 29 HD2 ARG 29 20.808 5.281 5.357 23 HD3 ARG 29 HD1 ARG 29 22.474 4.801 5.037 24 HE ARG 29 HE ARG 29 22.222 7.620 4.977 25 HH11 ARG 29 HH11 ARG 29 22.296 4.918 7.173 26 HH12 ARG 29 HH12 ARG 29 22.928 5.842 8.495 27 HH21 ARG 29 HH21 ARG 29 23.052 8.848 6.710 28 HH22 ARG 29 HH22 ARG 29 23.356 8.078 8.232 29 H CYS 30 HN CYS 30 21.250 5.562 -0.133 30 HA CYS 30 HA CYS 30 19.042 3.652 -0.370 31 HB2 CYS 30 HB2 CYS 30 20.262 2.898 -2.427 32 HB3 CYS 30 HB1 CYS 30 19.732 4.576 -2.476 33 HG CYS 30 HG CYS 30 22.095 5.715 -2.538 34 H LEU 31 HN LEU 31 19.245 2.137 1.180 35 HA LEU 31 HA LEU 31 21.375 0.240 0.968 36 HB2 LEU 31 HB2 LEU 31 22.194 2.231 2.454 37 HB3 LEU 31 HB1 LEU 31 21.160 1.514 3.673 38 HG LEU 31 HG LEU 31 23.497 0.832 3.941 39 HD11 LEU 31 HD11 LEU 31 23.147 -1.550 4.140 40 HD12 LEU 31 HD12 LEU 31 21.755 -1.463 3.060 41 HD13 LEU 31 HD13 LEU 31 21.695 -0.684 4.641 42 HD21 LEU 31 HD21 LEU 31 24.551 -0.646 2.297 43 HD22 LEU 31 HD22 LEU 31 24.207 0.947 1.621 44 HD23 LEU 31 HD23 LEU 31 23.172 -0.424 1.218 45 H PHE 32 HN PHE 32 18.937 1.428 3.288 46 HA PHE 32 HA PHE 32 17.773 -1.276 3.302 47 HB2 PHE 32 HB2 PHE 32 19.170 -0.385 5.405 48 HB3 PHE 32 HB1 PHE 32 17.614 0.343 5.793 49 HD1 PHE 32 HD1 PHE 32 15.837 -0.955 6.643 50 HD2 PHE 32 HD2 PHE 32 19.335 -2.855 5.135 51 HE1 PHE 32 HE1 PHE 32 15.077 -3.096 7.587 52 HE2 PHE 32 HE2 PHE 32 18.580 -4.999 6.075 53 HZ PHE 32 HZ PHE 32 16.449 -5.122 7.303 54 H LEU 33 HN LEU 33 17.329 1.940 2.674 55 HA LEU 33 HA LEU 33 14.664 2.304 3.615 56 HB2 LEU 33 HB2 LEU 33 16.496 4.041 2.874 57 HB3 LEU 33 HB1 LEU 33 15.757 3.840 1.298 58 HG LEU 33 HG LEU 33 14.884 5.800 2.492 59 HD11 LEU 33 HD11 LEU 33 12.509 5.343 2.193 60 HD12 LEU 33 HD12 LEU 33 12.842 3.611 2.143 61 HD13 LEU 33 HD13 LEU 33 13.461 4.665 0.871 62 HD21 LEU 33 HD21 LEU 33 13.513 5.555 4.472 63 HD22 LEU 33 HD22 LEU 33 15.130 4.919 4.775 64 HD23 LEU 33 HD23 LEU 33 13.789 3.812 4.477 65 HA PRO 34 HA PRO 34 13.628 1.518 -1.194 66 HB2 PRO 34 HB2 PRO 34 15.238 -0.638 -2.010 67 HB3 PRO 34 HB1 PRO 34 15.354 1.030 -2.575 68 HG2 PRO 34 HG2 PRO 34 16.935 -0.378 -0.478 69 HG3 PRO 34 HG1 PRO 34 17.454 0.858 -1.639 70 HD2 PRO 34 HD2 PRO 34 17.059 1.472 0.920 71 HD3 PRO 34 HD1 PRO 34 16.567 2.598 -0.364 72 H LEU 35 HN LEU 35 15.011 -1.158 0.715 73 HA LEU 35 HA LEU 35 13.071 -3.073 0.055 74 HB2 LEU 35 HB2 LEU 35 15.365 -3.258 1.318 75 HB3 LEU 35 HB1 LEU 35 14.380 -3.030 2.748 76 HG LEU 35 HG LEU 35 14.847 -5.399 2.308 77 HD11 LEU 35 HD11 LEU 35 12.613 -6.237 2.567 78 HD12 LEU 35 HD12 LEU 35 11.936 -4.762 1.879 79 HD13 LEU 35 HD13 LEU 35 12.757 -4.711 3.439 80 HD21 LEU 35 HD21 LEU 35 13.816 -6.517 0.387 81 HD22 LEU 35 HD22 LEU 35 15.018 -5.327 -0.110 82 HD23 LEU 35 HD23 LEU 35 13.301 -4.951 -0.241 83 H PHE 36 HN PHE 36 13.255 -0.769 2.738 84 HA PHE 36 HA PHE 36 10.965 -1.606 4.118 85 HB2 PHE 36 HB2 PHE 36 12.730 -0.060 4.994 86 HB3 PHE 36 HB1 PHE 36 12.059 1.209 3.975 87 HD1 PHE 36 HD1 PHE 36 11.467 -0.914 6.914 88 HD2 PHE 36 HD2 PHE 36 10.034 2.328 4.559 89 HE1 PHE 36 HE1 PHE 36 9.870 -0.333 8.694 90 HE2 PHE 36 HE2 PHE 36 8.435 2.916 6.335 91 HZ PHE 36 HZ PHE 36 8.372 1.592 8.421 92 H SER 37 HN SER 37 11.342 0.328 1.252 93 HA SER 37 HA SER 37 8.755 1.530 1.333 94 HB2 SER 37 HB2 SER 37 10.395 1.096 -1.150 95 HB3 SER 37 HB1 SER 37 9.223 2.369 -0.832 96 HG SER 37 HG SER 37 11.273 2.278 0.984 97 H PHE 38 HN PHE 38 10.055 -1.461 0.043 98 HA PHE 38 HA PHE 38 7.964 -2.165 -1.669 99 HB2 PHE 38 HB2 PHE 38 9.968 -3.744 -0.117 100 HB3 PHE 38 HB1 PHE 38 8.686 -4.578 -0.983 101 HD1 PHE 38 HD1 PHE 38 8.538 -4.392 -3.442 102 HD2 PHE 38 HD2 PHE 38 11.808 -2.769 -1.255 103 HE1 PHE 38 HE1 PHE 38 9.852 -4.252 -5.517 104 HE2 PHE 38 HE2 PHE 38 13.127 -2.626 -3.326 105 HZ PHE 38 HZ PHE 38 12.141 -3.365 -5.466 106 H LEU 39 HN LEU 39 8.361 -2.663 1.804 107 HA LEU 39 HA LEU 39 5.931 -4.114 2.136 108 HB2 LEU 39 HB2 LEU 39 7.694 -2.634 4.087 109 HB3 LEU 39 HB1 LEU 39 6.261 -3.516 4.575 110 HG LEU 39 HG LEU 39 7.315 -5.583 3.571 111 HD11 LEU 39 HD11 LEU 39 8.934 -4.536 2.115 112 HD12 LEU 39 HD12 LEU 39 9.762 -5.540 3.304 113 HD13 LEU 39 HD13 LEU 39 9.735 -3.787 3.496 114 HD21 LEU 39 HD21 LEU 39 8.744 -4.225 5.852 115 HD22 LEU 39 HD22 LEU 39 8.788 -5.952 5.493 116 HD23 LEU 39 HD23 LEU 39 7.271 -5.188 5.970 117 H ILE 40 HN ILE 40 6.785 -0.794 1.893 118 HA ILE 40 HA ILE 40 4.468 0.303 3.149 119 HB ILE 40 HB ILE 40 6.692 1.386 1.476 120 HG12 ILE 40 HG12 ILE 40 5.501 2.243 4.121 121 HG13 ILE 40 HG11 ILE 40 6.878 1.161 3.935 122 HG21 ILE 40 HG21 ILE 40 4.810 2.465 0.450 123 HG22 ILE 40 HG22 ILE 40 5.633 3.627 1.490 124 HG23 ILE 40 HG23 ILE 40 4.130 2.874 2.026 125 HD11 ILE 40 HD11 ILE 40 8.134 2.969 2.860 126 HD12 ILE 40 HD12 ILE 40 7.612 3.395 4.490 127 HD13 ILE 40 HD13 ILE 40 6.758 4.048 3.091 128 H VAL 41 HN VAL 41 5.372 -0.488 -0.173 129 HA VAL 41 HA VAL 41 2.971 0.581 -1.318 130 HB VAL 41 HB VAL 41 5.037 -1.292 -2.487 131 HG11 VAL 41 HG11 VAL 41 4.076 -0.662 -4.669 132 HG12 VAL 41 HG12 VAL 41 2.790 0.209 -3.833 133 HG13 VAL 41 HG13 VAL 41 2.928 -1.541 -3.659 134 HG21 VAL 41 HG21 VAL 41 5.948 0.884 -1.915 135 HG22 VAL 41 HG22 VAL 41 4.640 1.683 -2.787 136 HG23 VAL 41 HG23 VAL 41 5.824 0.714 -3.666 137 H ALA 42 HN ALA 42 4.069 -2.566 -0.220 138 HA ALA 42 HA ALA 42 2.091 -4.175 -1.360 139 HB1 ALA 42 HB1 ALA 42 2.644 -5.801 0.369 140 HB2 ALA 42 HB2 ALA 42 3.494 -4.555 1.283 141 HB3 ALA 42 HB3 ALA 42 4.104 -5.065 -0.292 142 H GLY 43 HN GLY 43 2.118 -2.384 1.697 143 HA2 GLY 43 HA2 GLY 43 -0.516 -3.328 2.427 144 HA3 GLY 43 HA1 GLY 43 0.457 -2.157 3.305 145 H ALA 44 HN ALA 44 0.849 -0.497 0.895 146 HA ALA 44 HA ALA 44 -1.355 1.233 1.240 147 HB1 ALA 44 HB1 ALA 44 0.874 2.025 0.609 148 HB2 ALA 44 HB2 ALA 44 -0.356 2.571 -0.532 149 HB3 ALA 44 HB3 ALA 44 0.710 1.233 -0.959 150 H THR 45 HN THR 45 -0.480 -1.009 -1.366 151 HA THR 45 HA THR 45 -2.679 -0.358 -3.032 152 HB THR 45 HB THR 45 -0.713 -1.398 -3.986 153 HG1 THR 45 HG1 THR 45 -3.158 -2.821 -4.123 154 HG21 THR 45 HG21 THR 45 -0.182 -2.768 -1.985 155 HG22 THR 45 HG22 THR 45 -0.081 -3.660 -3.502 156 HG23 THR 45 HG23 THR 45 -1.478 -3.867 -2.445 157 H THR 46 HN THR 46 -2.255 -2.479 -0.337 158 HA THR 46 HA THR 46 -4.486 -4.176 -0.811 159 HB THR 46 HB THR 46 -3.098 -3.522 1.796 160 HG1 THR 46 HG1 THR 46 -2.489 -5.933 0.966 161 HG21 THR 46 HG21 THR 46 -4.038 -5.672 2.565 162 HG22 THR 46 HG22 THR 46 -4.950 -5.793 1.059 163 HG23 THR 46 HG23 THR 46 -5.292 -4.488 2.195 164 H LEU 47 HN LEU 47 -4.016 -1.337 1.279 165 HA LEU 47 HA LEU 47 -6.600 -1.256 2.351 166 HB2 LEU 47 HB2 LEU 47 -4.653 0.014 3.210 167 HB3 LEU 47 HB1 LEU 47 -4.748 1.066 1.810 168 HG LEU 47 HG LEU 47 -7.036 1.751 2.551 169 HD11 LEU 47 HD11 LEU 47 -6.299 0.196 5.026 170 HD12 LEU 47 HD12 LEU 47 -7.594 -0.194 3.894 171 HD13 LEU 47 HD13 LEU 47 -7.684 1.275 4.865 172 HD21 LEU 47 HD21 LEU 47 -4.765 2.216 4.481 173 HD22 LEU 47 HD22 LEU 47 -6.241 3.178 4.392 174 HD23 LEU 47 HD23 LEU 47 -5.122 3.152 3.029 175 H PHE 48 HN PHE 48 -5.372 -0.231 -0.738 176 HA PHE 48 HA PHE 48 -7.388 1.588 -1.461 177 HB2 PHE 48 HB2 PHE 48 -5.209 1.230 -2.667 178 HB3 PHE 48 HB1 PHE 48 -5.888 -0.251 -3.335 179 HD1 PHE 48 HD1 PHE 48 -5.847 3.376 -3.498 180 HD2 PHE 48 HD2 PHE 48 -7.746 -0.152 -4.931 181 HE1 PHE 48 HE1 PHE 48 -6.840 4.664 -5.344 182 HE2 PHE 48 HE2 PHE 48 -8.742 1.131 -6.779 183 HZ PHE 48 HZ PHE 48 -8.290 3.556 -6.977 184 H CYS 49 HN CYS 49 -7.088 -1.894 -2.156 185 HA CYS 49 HA CYS 49 -9.740 -2.004 -3.280 186 HB2 CYS 49 HB2 CYS 49 -7.966 -3.441 -4.164 187 HB3 CYS 49 HB1 CYS 49 -7.792 -4.214 -2.592 188 HG CYS 49 HG CYS 49 -10.926 -4.435 -3.564 189 H LEU 50 HN LEU 50 -8.298 -2.450 -0.180 190 HA LEU 50 HA LEU 50 -10.174 -4.181 1.000 191 HB2 LEU 50 HB2 LEU 50 -7.852 -3.092 1.816 192 HB3 LEU 50 HB1 LEU 50 -8.972 -2.054 2.676 193 HG LEU 50 HG LEU 50 -10.015 -4.123 3.648 194 HD11 LEU 50 HD11 LEU 50 -7.592 -5.431 2.418 195 HD12 LEU 50 HD12 LEU 50 -9.277 -5.735 1.996 196 HD13 LEU 50 HD13 LEU 50 -8.674 -6.182 3.592 197 HD21 LEU 50 HD21 LEU 50 -7.098 -3.609 4.208 198 HD22 LEU 50 HD22 LEU 50 -8.197 -4.491 5.269 199 HD23 LEU 50 HD23 LEU 50 -8.472 -2.780 4.941 200 H LEU 51 HN LEU 51 -9.943 -0.628 1.169 201 HA LEU 51 HA LEU 51 -12.444 -0.314 2.477 202 HB2 LEU 51 HB2 LEU 51 -10.910 1.728 0.868 203 HB3 LEU 51 HB1 LEU 51 -12.158 2.059 2.053 204 HG LEU 51 HG LEU 51 -9.468 0.825 2.663 205 HD11 LEU 51 HD11 LEU 51 -8.964 2.961 3.731 206 HD12 LEU 51 HD12 LEU 51 -10.510 3.606 3.179 207 HD13 LEU 51 HD13 LEU 51 -9.270 3.161 2.005 208 HD21 LEU 51 HD21 LEU 51 -10.098 1.203 5.006 209 HD22 LEU 51 HD22 LEU 51 -11.186 0.070 4.206 210 HD23 LEU 51 HD23 LEU 51 -11.696 1.735 4.482 211 H HIS 52 HN HIS 52 -11.521 -0.756 -0.803 212 HA HIS 52 HA HIS 52 -13.661 0.515 -2.112 213 HB2 HIS 52 HB2 HIS 52 -11.615 -0.257 -3.262 214 HB3 HIS 52 HB1 HIS 52 -12.106 -1.926 -2.995 215 HD1 HIS 52 HD1 HIS 52 -13.715 -2.936 -4.651 216 HD2 HIS 52 HD2 HIS 52 -13.280 1.170 -5.127 217 HE1 HIS 52 HE1 HIS 52 -14.905 -2.378 -6.795 218 HE2 HIS 52 HE2 HIS 52 -14.561 0.098 -7.103 219 H PHE 53 HN PHE 53 -13.399 -2.585 -0.516 220 HA PHE 53 HA PHE 53 -15.635 -3.856 -1.632 221 HB2 PHE 53 HB2 PHE 53 -14.324 -4.143 1.072 222 HB3 PHE 53 HB1 PHE 53 -15.655 -5.166 0.542 223 HD1 PHE 53 HD1 PHE 53 -15.263 -6.236 -1.872 224 HD2 PHE 53 HD2 PHE 53 -12.198 -4.938 0.779 225 HE1 PHE 53 HE1 PHE 53 -13.665 -7.732 -2.995 226 HE2 PHE 53 HE2 PHE 53 -10.593 -6.432 -0.339 227 HZ PHE 53 HZ PHE 53 -11.329 -7.840 -2.222 228 H GLY 54 HN GLY 54 -15.405 -1.238 0.576 229 HA2 GLY 54 HA2 GLY 54 -17.438 0.109 0.814 230 HA3 GLY 54 HA1 GLY 54 -18.324 -1.395 1.014 231 H VAL 55 HN VAL 55 -15.229 -1.001 2.529 232 HA VAL 55 HA VAL 55 -16.213 -1.572 5.097 233 HB VAL 55 HB VAL 55 -13.594 -0.245 4.399 234 HG11 VAL 55 HG11 VAL 55 -12.805 -1.205 6.512 235 HG12 VAL 55 HG12 VAL 55 -14.428 -1.817 6.835 236 HG13 VAL 55 HG13 VAL 55 -14.139 -0.079 6.767 237 HG21 VAL 55 HG21 VAL 55 -12.659 -2.520 4.443 238 HG22 VAL 55 HG22 VAL 55 -13.855 -2.316 3.162 239 HG23 VAL 55 HG23 VAL 55 -14.286 -3.171 4.643 240 H ILE 56 HN ILE 56 -14.918 1.459 3.808 241 HA ILE 56 HA ILE 56 -15.406 3.089 5.978 242 HB ILE 56 HB ILE 56 -15.285 4.981 4.530 243 HG12 ILE 56 HG12 ILE 56 -16.917 4.154 2.827 244 HG13 ILE 56 HG11 ILE 56 -15.485 4.902 2.134 245 HG21 ILE 56 HG21 ILE 56 -13.522 2.762 3.512 246 HG22 ILE 56 HG22 ILE 56 -13.201 3.818 4.888 247 HG23 ILE 56 HG23 ILE 56 -13.240 4.484 3.255 248 HD11 ILE 56 HD11 ILE 56 -16.155 1.977 2.264 249 HD12 ILE 56 HD12 ILE 56 -14.568 2.590 1.801 250 HD13 ILE 56 HD13 ILE 56 -15.986 2.995 0.836 251 H GLY 57 HN GLY 57 -17.609 1.865 3.644 252 HA2 GLY 57 HA2 GLY 57 -19.944 1.673 4.107 253 HA3 GLY 57 HA1 GLY 57 -19.822 3.100 5.123 254 HA PRO 58 HA PRO 58 -21.718 4.903 1.442 255 HB2 PRO 58 HB2 PRO 58 -22.322 7.301 2.537 256 HB3 PRO 58 HB1 PRO 58 -23.279 5.847 2.846 257 HG2 PRO 58 HG2 PRO 58 -21.156 7.113 4.538 258 HG3 PRO 58 HG1 PRO 58 -22.730 6.454 5.026 259 HD2 PRO 58 HD2 PRO 58 -20.412 5.079 5.325 260 HD3 PRO 58 HD1 PRO 58 -21.967 4.281 5.011 261 H GLN 59 HN GLN 59 -18.794 5.473 2.838 262 HA GLN 59 HA GLN 59 -16.914 6.584 2.225 263 HB2 GLN 59 HB2 GLN 59 -17.433 5.678 -0.001 264 HB3 GLN 59 HB1 GLN 59 -18.430 7.085 -0.342 265 HG2 GLN 59 HG2 GLN 59 -16.251 7.258 -1.405 266 HG3 GLN 59 HG1 GLN 59 -16.482 8.527 -0.202 267 HE21 GLN 59 HE21 GLN 59 -15.287 8.485 1.693 268 HE22 GLN 59 HE22 GLN 59 -13.879 7.501 1.875 269 H ARG 60 HN ARG 60 -19.032 8.677 0.325 270 HA ARG 60 HA ARG 60 -18.779 10.781 2.344 271 HB2 ARG 60 HB2 ARG 60 -18.250 12.399 0.442 272 HB3 ARG 60 HB1 ARG 60 -16.952 11.337 0.969 273 HG2 ARG 60 HG2 ARG 60 -17.424 9.848 -0.928 274 HG3 ARG 60 HG1 ARG 60 -18.685 10.958 -1.465 275 HD2 ARG 60 HD2 ARG 60 -17.018 12.728 -1.723 276 HD3 ARG 60 HD1 ARG 60 -15.757 11.623 -1.174 277 HE ARG 60 HE ARG 60 -17.263 10.745 -3.484 278 HH11 ARG 60 HH11 ARG 60 -14.429 12.391 -2.299 279 HH12 ARG 60 HH12 ARG 60 -13.538 12.185 -3.770 280 HH21 ARG 60 HH21 ARG 60 -16.097 10.470 -5.423 281 HH22 ARG 60 HH22 ARG 60 -14.486 11.094 -5.547 Start of MODEL 8 1 H1 ARG 28 HT1 ARG 28 24.187 -4.341 9.577 2 H2 ARG 28 HT2 ARG 28 22.684 -4.878 10.136 3 H3 ARG 28 HT3 ARG 28 22.777 -3.514 9.142 4 HA ARG 28 HA ARG 28 23.519 -6.266 8.345 5 HB2 ARG 28 HB2 ARG 28 21.500 -6.238 6.972 6 HB3 ARG 28 HB1 ARG 28 21.098 -6.017 8.668 7 HG2 ARG 28 HG2 ARG 28 21.431 -3.646 6.880 8 HG3 ARG 28 HG1 ARG 28 19.927 -4.568 6.879 9 HD2 ARG 28 HD2 ARG 28 21.209 -3.279 9.287 10 HD3 ARG 28 HD1 ARG 28 19.813 -2.660 8.406 11 HE ARG 28 HE ARG 28 19.279 -5.287 9.247 12 HH11 ARG 28 HH11 ARG 28 19.703 -2.083 10.552 13 HH12 ARG 28 HH12 ARG 28 18.668 -2.359 11.912 14 HH21 ARG 28 HH21 ARG 28 17.915 -5.660 11.036 15 HH22 ARG 28 HH22 ARG 28 17.654 -4.394 12.189 16 H ARG 29 HN ARG 29 23.830 -6.470 6.018 17 HA ARG 29 HA ARG 29 25.417 -4.276 5.010 18 HB2 ARG 29 HB2 ARG 29 25.975 -5.821 3.174 19 HB3 ARG 29 HB1 ARG 29 26.245 -6.550 4.752 20 HG2 ARG 29 HG2 ARG 29 24.228 -7.837 4.564 21 HG3 ARG 29 HG1 ARG 29 23.792 -7.010 3.067 22 HD2 ARG 29 HD2 ARG 29 24.726 -9.214 2.610 23 HD3 ARG 29 HD1 ARG 29 25.767 -7.942 1.974 24 HE ARG 29 HE ARG 29 26.483 -8.875 4.609 25 HH11 ARG 29 HH11 ARG 29 26.920 -9.275 1.175 26 HH12 ARG 29 HH12 ARG 29 28.440 -10.092 1.333 27 HH21 ARG 29 HH21 ARG 29 28.483 -9.951 4.826 28 HH22 ARG 29 HH22 ARG 29 29.327 -10.476 3.409 29 H CYS 30 HN CYS 30 24.966 -2.976 3.294 30 HA CYS 30 HA CYS 30 22.255 -2.540 2.612 31 HB2 CYS 30 HB2 CYS 30 24.769 -1.499 1.285 32 HB3 CYS 30 HB1 CYS 30 23.144 -0.873 1.022 33 HG CYS 30 HG CYS 30 23.599 -0.800 4.222 34 H LEU 31 HN LEU 31 21.458 -4.479 1.763 35 HA LEU 31 HA LEU 31 22.163 -4.915 -1.047 36 HB2 LEU 31 HB2 LEU 31 23.361 -6.593 0.338 37 HB3 LEU 31 HB1 LEU 31 21.817 -7.144 0.961 38 HG LEU 31 HG LEU 31 21.161 -7.766 -1.368 39 HD11 LEU 31 HD11 LEU 31 24.053 -7.158 -1.968 40 HD12 LEU 31 HD12 LEU 31 22.658 -6.262 -2.570 41 HD13 LEU 31 HD13 LEU 31 22.910 -7.936 -3.062 42 HD21 LEU 31 HD21 LEU 31 23.666 -9.051 -0.284 43 HD22 LEU 31 HD22 LEU 31 22.565 -9.774 -1.455 44 HD23 LEU 31 HD23 LEU 31 22.009 -9.436 0.184 45 H PHE 32 HN PHE 32 19.901 -5.445 1.605 46 HA PHE 32 HA PHE 32 17.723 -5.582 -0.375 47 HB2 PHE 32 HB2 PHE 32 16.484 -6.892 1.437 48 HB3 PHE 32 HB1 PHE 32 17.787 -7.731 0.603 49 HD1 PHE 32 HD1 PHE 32 16.884 -5.977 3.726 50 HD2 PHE 32 HD2 PHE 32 19.654 -8.554 1.779 51 HE1 PHE 32 HE1 PHE 32 17.938 -6.474 5.893 52 HE2 PHE 32 HE2 PHE 32 20.714 -9.057 3.942 53 HZ PHE 32 HZ PHE 32 19.857 -8.023 6.001 54 H LEU 33 HN LEU 33 18.829 -3.206 0.847 55 HA LEU 33 HA LEU 33 17.068 -2.364 2.941 56 HB2 LEU 33 HB2 LEU 33 19.253 -1.413 2.887 57 HB3 LEU 33 HB1 LEU 33 19.050 -0.875 1.233 58 HG LEU 33 HG LEU 33 17.328 0.736 1.986 59 HD11 LEU 33 HD11 LEU 33 17.084 1.188 4.380 60 HD12 LEU 33 HD12 LEU 33 18.110 -0.199 4.743 61 HD13 LEU 33 HD13 LEU 33 16.546 -0.439 3.964 62 HD21 LEU 33 HD21 LEU 33 19.670 1.416 1.756 63 HD22 LEU 33 HD22 LEU 33 19.963 0.970 3.437 64 HD23 LEU 33 HD23 LEU 33 18.861 2.293 3.054 65 HA PRO 34 HA PRO 34 15.118 0.272 -0.702 66 HB2 PRO 34 HB2 PRO 34 15.585 -1.552 -2.981 67 HB3 PRO 34 HB1 PRO 34 15.713 0.207 -2.904 68 HG2 PRO 34 HG2 PRO 34 17.892 -1.330 -3.048 69 HG3 PRO 34 HG1 PRO 34 17.869 0.147 -2.067 70 HD2 PRO 34 HD2 PRO 34 17.622 -2.709 -1.200 71 HD3 PRO 34 HD1 PRO 34 18.518 -1.376 -0.446 72 H LEU 35 HN LEU 35 15.009 -2.999 0.079 73 HA LEU 35 HA LEU 35 12.621 -3.766 -1.258 74 HB2 LEU 35 HB2 LEU 35 14.560 -5.026 0.285 75 HB3 LEU 35 HB1 LEU 35 13.107 -5.137 1.261 76 HG LEU 35 HG LEU 35 13.353 -7.129 -0.095 77 HD11 LEU 35 HD11 LEU 35 11.191 -7.138 -1.212 78 HD12 LEU 35 HD12 LEU 35 11.134 -5.378 -1.136 79 HD13 LEU 35 HD13 LEU 35 11.088 -6.325 0.350 80 HD21 LEU 35 HD21 LEU 35 13.304 -7.047 -2.526 81 HD22 LEU 35 HD22 LEU 35 14.693 -6.158 -1.899 82 HD23 LEU 35 HD23 LEU 35 13.275 -5.285 -2.480 83 H PHE 36 HN PHE 36 13.093 -1.503 1.088 84 HA PHE 36 HA PHE 36 10.929 -2.028 2.851 85 HB2 PHE 36 HB2 PHE 36 11.336 0.119 3.770 86 HB3 PHE 36 HB1 PHE 36 12.911 -0.508 3.301 87 HD1 PHE 36 HD1 PHE 36 13.757 0.209 0.947 88 HD2 PHE 36 HD2 PHE 36 10.721 2.247 3.122 89 HE1 PHE 36 HE1 PHE 36 14.176 2.239 -0.379 90 HE2 PHE 36 HE2 PHE 36 11.131 4.281 1.799 91 HZ PHE 36 HZ PHE 36 12.845 4.288 0.056 92 H SER 37 HN SER 37 11.238 -0.218 -0.154 93 HA SER 37 HA SER 37 8.737 1.076 -0.057 94 HB2 SER 37 HB2 SER 37 10.224 0.240 -2.539 95 HB3 SER 37 HB1 SER 37 9.046 1.538 -2.397 96 HG SER 37 HG SER 37 11.426 2.046 -2.320 97 H PHE 38 HN PHE 38 9.668 -2.154 -0.863 98 HA PHE 38 HA PHE 38 7.340 -2.850 -2.344 99 HB2 PHE 38 HB2 PHE 38 9.487 -4.412 -0.976 100 HB3 PHE 38 HB1 PHE 38 8.095 -5.231 -1.669 101 HD1 PHE 38 HD1 PHE 38 10.968 -3.040 -2.453 102 HD2 PHE 38 HD2 PHE 38 7.955 -5.627 -3.982 103 HE1 PHE 38 HE1 PHE 38 12.066 -3.010 -4.656 104 HE2 PHE 38 HE2 PHE 38 9.048 -5.604 -6.187 105 HZ PHE 38 HZ PHE 38 11.103 -4.301 -6.527 106 H LEU 39 HN LEU 39 8.313 -3.403 1.037 107 HA LEU 39 HA LEU 39 5.836 -4.593 1.778 108 HB2 LEU 39 HB2 LEU 39 8.123 -3.426 3.347 109 HB3 LEU 39 HB1 LEU 39 6.670 -4.002 4.141 110 HG LEU 39 HG LEU 39 7.073 -6.247 3.098 111 HD11 LEU 39 HD11 LEU 39 9.320 -6.725 2.247 112 HD12 LEU 39 HD12 LEU 39 9.721 -5.010 2.357 113 HD13 LEU 39 HD13 LEU 39 8.472 -5.553 1.236 114 HD21 LEU 39 HD21 LEU 39 9.252 -5.168 4.880 115 HD22 LEU 39 HD22 LEU 39 8.852 -6.871 4.653 116 HD23 LEU 39 HD23 LEU 39 7.686 -5.785 5.408 117 H ILE 40 HN ILE 40 6.926 -1.390 1.337 118 HA ILE 40 HA ILE 40 4.862 -0.164 2.957 119 HB ILE 40 HB ILE 40 7.226 0.775 1.440 120 HG12 ILE 40 HG12 ILE 40 5.945 1.750 3.998 121 HG13 ILE 40 HG11 ILE 40 7.134 0.454 3.915 122 HG21 ILE 40 HG21 ILE 40 4.811 2.533 1.829 123 HG22 ILE 40 HG22 ILE 40 5.593 2.104 0.306 124 HG23 ILE 40 HG23 ILE 40 6.432 3.130 1.468 125 HD11 ILE 40 HD11 ILE 40 8.164 2.539 4.583 126 HD12 ILE 40 HD12 ILE 40 7.575 3.322 3.116 127 HD13 ILE 40 HD13 ILE 40 8.769 2.028 3.006 128 H VAL 41 HN VAL 41 5.443 -1.004 -0.373 129 HA VAL 41 HA VAL 41 3.240 0.565 -1.380 130 HB VAL 41 HB VAL 41 5.477 -0.161 -2.585 131 HG11 VAL 41 HG11 VAL 41 3.555 -2.321 -3.381 132 HG12 VAL 41 HG12 VAL 41 5.016 -2.541 -2.422 133 HG13 VAL 41 HG13 VAL 41 5.135 -2.015 -4.101 134 HG21 VAL 41 HG21 VAL 41 3.868 1.392 -3.509 135 HG22 VAL 41 HG22 VAL 41 2.787 0.065 -3.935 136 HG23 VAL 41 HG23 VAL 41 4.345 0.230 -4.747 137 H ALA 42 HN ALA 42 3.854 -2.705 -0.396 138 HA ALA 42 HA ALA 42 1.571 -3.890 -1.601 139 HB1 ALA 42 HB1 ALA 42 3.130 -4.831 0.804 140 HB2 ALA 42 HB2 ALA 42 3.532 -5.185 -0.878 141 HB3 ALA 42 HB3 ALA 42 2.033 -5.800 -0.180 142 H GLY 43 HN GLY 43 2.144 -2.268 1.455 143 HA2 GLY 43 HA2 GLY 43 -0.387 -3.058 2.590 144 HA3 GLY 43 HA1 GLY 43 0.747 -1.901 3.269 145 H ALA 44 HN ALA 44 0.848 -0.301 0.816 146 HA ALA 44 HA ALA 44 -1.270 1.482 1.402 147 HB1 ALA 44 HB1 ALA 44 0.897 2.219 0.516 148 HB2 ALA 44 HB2 ALA 44 -0.448 2.796 -0.468 149 HB3 ALA 44 HB3 ALA 44 0.527 1.435 -1.019 150 H THR 45 HN THR 45 -0.771 -0.905 -1.153 151 HA THR 45 HA THR 45 -3.108 -0.188 -2.629 152 HB THR 45 HB THR 45 -2.771 -2.470 -3.705 153 HG1 THR 45 HG1 THR 45 -1.518 -3.735 -2.555 154 HG21 THR 45 HG21 THR 45 -0.782 -1.751 -4.940 155 HG22 THR 45 HG22 THR 45 -0.448 -0.542 -3.700 156 HG23 THR 45 HG23 THR 45 -1.902 -0.412 -4.691 157 H THR 46 HN THR 46 -2.420 -2.392 -0.006 158 HA THR 46 HA THR 46 -4.783 -3.943 -0.186 159 HB THR 46 HB THR 46 -3.070 -3.381 2.243 160 HG1 THR 46 HG1 THR 46 -2.934 -5.286 0.153 161 HG21 THR 46 HG21 THR 46 -4.013 -5.468 3.123 162 HG22 THR 46 HG22 THR 46 -5.060 -5.592 1.709 163 HG23 THR 46 HG23 THR 46 -5.271 -4.263 2.849 164 H LEU 47 HN LEU 47 -3.944 -1.042 1.666 165 HA LEU 47 HA LEU 47 -6.410 -0.877 3.061 166 HB2 LEU 47 HB2 LEU 47 -4.349 0.203 3.841 167 HB3 LEU 47 HB1 LEU 47 -4.380 1.271 2.452 168 HG LEU 47 HG LEU 47 -6.516 2.232 3.275 169 HD11 LEU 47 HD11 LEU 47 -5.972 0.500 5.682 170 HD12 LEU 47 HD12 LEU 47 -7.327 0.346 4.564 171 HD13 LEU 47 HD13 LEU 47 -7.190 1.772 5.592 172 HD21 LEU 47 HD21 LEU 47 -4.391 3.315 3.769 173 HD22 LEU 47 HD22 LEU 47 -4.211 2.327 5.219 174 HD23 LEU 47 HD23 LEU 47 -5.520 3.506 5.111 175 H PHE 48 HN PHE 48 -5.227 0.510 0.043 176 HA PHE 48 HA PHE 48 -7.453 2.230 -0.377 177 HB2 PHE 48 HB2 PHE 48 -5.211 2.506 -1.455 178 HB3 PHE 48 HB1 PHE 48 -5.565 1.099 -2.451 179 HD1 PHE 48 HD1 PHE 48 -6.334 4.616 -1.829 180 HD2 PHE 48 HD2 PHE 48 -7.181 1.215 -4.244 181 HE1 PHE 48 HE1 PHE 48 -7.452 6.067 -3.472 182 HE2 PHE 48 HE2 PHE 48 -8.300 2.662 -5.891 183 HZ PHE 48 HZ PHE 48 -8.435 5.089 -5.507 184 H CYS 49 HN CYS 49 -6.641 -1.031 -1.459 185 HA CYS 49 HA CYS 49 -8.999 -1.294 -3.077 186 HB2 CYS 49 HB2 CYS 49 -8.229 -3.477 -3.579 187 HB3 CYS 49 HB1 CYS 49 -6.780 -2.491 -3.444 188 HG CYS 49 HG CYS 49 -6.414 -5.094 -2.338 189 H LEU 50 HN LEU 50 -8.184 -1.800 0.226 190 HA LEU 50 HA LEU 50 -9.913 -3.798 1.031 191 HB2 LEU 50 HB2 LEU 50 -8.190 -2.330 2.353 192 HB3 LEU 50 HB1 LEU 50 -9.591 -1.343 2.710 193 HG LEU 50 HG LEU 50 -10.697 -3.399 3.647 194 HD11 LEU 50 HD11 LEU 50 -9.211 -5.264 4.274 195 HD12 LEU 50 HD12 LEU 50 -7.917 -4.527 3.327 196 HD13 LEU 50 HD13 LEU 50 -9.384 -5.093 2.526 197 HD21 LEU 50 HD21 LEU 50 -9.457 -3.322 5.752 198 HD22 LEU 50 HD22 LEU 50 -9.677 -1.707 5.080 199 HD23 LEU 50 HD23 LEU 50 -8.116 -2.516 4.938 200 H LEU 51 HN LEU 51 -10.593 -0.319 0.743 201 HA LEU 51 HA LEU 51 -13.259 -0.435 1.619 202 HB2 LEU 51 HB2 LEU 51 -12.023 1.524 -0.316 203 HB3 LEU 51 HB1 LEU 51 -13.515 1.758 0.573 204 HG LEU 51 HG LEU 51 -10.777 1.499 1.817 205 HD11 LEU 51 HD11 LEU 51 -11.043 3.582 0.566 206 HD12 LEU 51 HD12 LEU 51 -10.987 3.874 2.304 207 HD13 LEU 51 HD13 LEU 51 -12.530 3.924 1.450 208 HD21 LEU 51 HD21 LEU 51 -12.545 0.667 3.272 209 HD22 LEU 51 HD22 LEU 51 -13.453 2.162 3.041 210 HD23 LEU 51 HD23 LEU 51 -11.900 2.193 3.877 211 H HIS 52 HN HIS 52 -11.807 -1.157 -1.457 212 HA HIS 52 HA HIS 52 -14.234 -1.027 -2.972 213 HB2 HIS 52 HB2 HIS 52 -11.935 -0.778 -3.946 214 HB3 HIS 52 HB1 HIS 52 -11.685 -2.498 -3.666 215 HD1 HIS 52 HD1 HIS 52 -13.562 -0.107 -5.848 216 HD2 HIS 52 HD2 HIS 52 -12.970 -4.201 -5.469 217 HE1 HIS 52 HE1 HIS 52 -14.498 -1.118 -7.951 218 HE2 HIS 52 HE2 HIS 52 -14.109 -3.596 -7.711 219 H PHE 53 HN PHE 53 -12.826 -3.323 -0.867 220 HA PHE 53 HA PHE 53 -13.913 -5.696 -1.971 221 HB2 PHE 53 HB2 PHE 53 -12.038 -5.519 -0.266 222 HB3 PHE 53 HB1 PHE 53 -13.283 -5.223 0.943 223 HD1 PHE 53 HD1 PHE 53 -12.052 -7.688 -1.521 224 HD2 PHE 53 HD2 PHE 53 -14.487 -6.997 1.899 225 HE1 PHE 53 HE1 PHE 53 -12.337 -10.116 -1.238 226 HE2 PHE 53 HE2 PHE 53 -14.778 -9.423 2.188 227 HZ PHE 53 HZ PHE 53 -13.701 -10.985 0.619 228 H GLY 54 HN GLY 54 -15.328 -3.085 -0.302 229 HA2 GLY 54 HA2 GLY 54 -17.788 -3.029 -0.402 230 HA3 GLY 54 HA1 GLY 54 -17.765 -4.698 0.145 231 H VAL 55 HN VAL 55 -15.595 -2.328 1.495 232 HA VAL 55 HA VAL 55 -16.662 -2.797 4.123 233 HB VAL 55 HB VAL 55 -14.515 -0.844 3.292 234 HG11 VAL 55 HG11 VAL 55 -13.807 -0.974 5.627 235 HG12 VAL 55 HG12 VAL 55 -15.158 -2.050 5.981 236 HG13 VAL 55 HG13 VAL 55 -15.464 -0.383 5.496 237 HG21 VAL 55 HG21 VAL 55 -14.255 -3.691 4.254 238 HG22 VAL 55 HG22 VAL 55 -12.921 -2.578 3.949 239 HG23 VAL 55 HG23 VAL 55 -13.942 -3.116 2.616 240 H ILE 56 HN ILE 56 -16.728 -0.210 1.771 241 HA ILE 56 HA ILE 56 -18.693 1.182 3.444 242 HB ILE 56 HB ILE 56 -17.809 3.360 2.674 243 HG12 ILE 56 HG12 ILE 56 -15.432 1.754 1.707 244 HG13 ILE 56 HG11 ILE 56 -16.657 2.441 0.646 245 HG21 ILE 56 HG21 ILE 56 -17.207 2.497 4.867 246 HG22 ILE 56 HG22 ILE 56 -15.864 3.398 4.164 247 HG23 ILE 56 HG23 ILE 56 -15.837 1.634 4.167 248 HD11 ILE 56 HD11 ILE 56 -14.665 3.826 0.720 249 HD12 ILE 56 HD12 ILE 56 -14.833 3.993 2.467 250 HD13 ILE 56 HD13 ILE 56 -16.053 4.680 1.394 251 H GLY 57 HN GLY 57 -17.467 0.475 0.276 252 HA2 GLY 57 HA2 GLY 57 -18.410 0.580 -1.820 253 HA3 GLY 57 HA1 GLY 57 -19.921 0.259 -0.984 254 HA PRO 58 HA PRO 58 -20.259 4.497 -2.811 255 HB2 PRO 58 HB2 PRO 58 -22.407 4.109 -4.356 256 HB3 PRO 58 HB1 PRO 58 -20.795 3.609 -4.884 257 HG2 PRO 58 HG2 PRO 58 -23.016 1.958 -3.753 258 HG3 PRO 58 HG1 PRO 58 -21.904 1.580 -5.079 259 HD2 PRO 58 HD2 PRO 58 -21.627 0.671 -2.484 260 HD3 PRO 58 HD1 PRO 58 -20.302 0.793 -3.658 261 H GLN 59 HN GLN 59 -21.204 3.419 -0.257 262 HA GLN 59 HA GLN 59 -22.650 3.927 1.415 263 HB2 GLN 59 HB2 GLN 59 -22.151 6.244 0.722 264 HB3 GLN 59 HB1 GLN 59 -23.488 6.182 -0.419 265 HG2 GLN 59 HG2 GLN 59 -24.130 7.370 1.586 266 HG3 GLN 59 HG1 GLN 59 -25.055 5.877 1.429 267 HE21 GLN 59 HE21 GLN 59 -25.522 5.771 3.608 268 HE22 GLN 59 HE22 GLN 59 -24.333 5.379 4.799 269 H ARG 60 HN ARG 60 -23.883 2.071 1.266 270 HA ARG 60 HA ARG 60 -25.758 0.813 1.022 271 HB2 ARG 60 HB2 ARG 60 -27.099 3.471 0.499 272 HB3 ARG 60 HB1 ARG 60 -27.910 1.971 0.927 273 HG2 ARG 60 HG2 ARG 60 -26.781 1.975 3.093 274 HG3 ARG 60 HG1 ARG 60 -25.969 3.483 2.663 275 HD2 ARG 60 HD2 ARG 60 -28.176 4.565 2.427 276 HD3 ARG 60 HD1 ARG 60 -28.943 3.066 2.948 277 HE ARG 60 HE ARG 60 -26.998 4.023 4.817 278 HH11 ARG 60 HH11 ARG 60 -30.302 4.336 3.755 279 HH12 ARG 60 HH12 ARG 60 -30.870 4.935 5.277 280 HH21 ARG 60 HH21 ARG 60 -27.735 4.810 6.823 281 HH22 ARG 60 HH22 ARG 60 -29.409 5.207 7.022 Start of MODEL 9 1 H1 ARG 28 HT1 ARG 28 18.148 12.889 -6.718 2 H2 ARG 28 HT2 ARG 28 18.217 12.553 -8.375 3 H3 ARG 28 HT3 ARG 28 19.131 11.634 -7.287 4 HA ARG 28 HA ARG 28 17.156 10.730 -6.296 5 HB2 ARG 28 HB2 ARG 28 15.719 12.684 -6.639 6 HB3 ARG 28 HB1 ARG 28 15.723 12.397 -8.373 7 HG2 ARG 28 HG2 ARG 28 14.479 10.384 -8.124 8 HG3 ARG 28 HG1 ARG 28 14.655 10.427 -6.367 9 HD2 ARG 28 HD2 ARG 28 12.427 11.165 -7.100 10 HD3 ARG 28 HD1 ARG 28 13.306 12.436 -6.250 11 HE ARG 28 HE ARG 28 13.625 12.556 -9.097 12 HH11 ARG 28 HH11 ARG 28 11.563 13.446 -6.429 13 HH12 ARG 28 HH12 ARG 28 10.851 14.788 -7.262 14 HH21 ARG 28 HH21 ARG 28 12.693 14.320 -10.196 15 HH22 ARG 28 HH22 ARG 28 11.497 15.287 -9.401 16 H ARG 29 HN ARG 29 17.879 8.789 -6.962 17 HA ARG 29 HA ARG 29 18.052 8.125 -9.769 18 HB2 ARG 29 HB2 ARG 29 18.607 6.555 -7.253 19 HB3 ARG 29 HB1 ARG 29 18.751 5.863 -8.861 20 HG2 ARG 29 HG2 ARG 29 20.223 8.373 -8.216 21 HG3 ARG 29 HG1 ARG 29 20.841 6.826 -7.636 22 HD2 ARG 29 HD2 ARG 29 21.882 7.323 -9.739 23 HD3 ARG 29 HD1 ARG 29 20.761 5.981 -9.970 24 HE ARG 29 HE ARG 29 19.224 8.004 -10.691 25 HH11 ARG 29 HH11 ARG 29 22.564 7.383 -11.456 26 HH12 ARG 29 HH12 ARG 29 22.496 8.184 -12.989 27 HH21 ARG 29 HH21 ARG 29 19.122 9.061 -12.709 28 HH22 ARG 29 HH22 ARG 29 20.540 9.139 -13.702 29 H CYS 30 HN CYS 30 16.746 6.778 -10.914 30 HA CYS 30 HA CYS 30 14.431 5.610 -9.528 31 HB2 CYS 30 HB2 CYS 30 13.687 7.671 -10.617 32 HB3 CYS 30 HB1 CYS 30 14.360 7.123 -12.148 33 HG CYS 30 HG CYS 30 12.068 6.261 -12.912 34 H LEU 31 HN LEU 31 15.755 3.673 -9.641 35 HA LEU 31 HA LEU 31 15.233 2.205 -12.086 36 HB2 LEU 31 HB2 LEU 31 17.465 3.252 -12.414 37 HB3 LEU 31 HB1 LEU 31 18.035 2.413 -10.985 38 HG LEU 31 HG LEU 31 17.625 0.252 -12.100 39 HD11 LEU 31 HD11 LEU 31 15.823 0.906 -13.586 40 HD12 LEU 31 HD12 LEU 31 17.159 0.218 -14.511 41 HD13 LEU 31 HD13 LEU 31 16.915 1.966 -14.478 42 HD21 LEU 31 HD21 LEU 31 19.832 1.270 -12.219 43 HD22 LEU 31 HD22 LEU 31 19.354 2.168 -13.661 44 HD23 LEU 31 HD23 LEU 31 19.463 0.409 -13.714 45 H PHE 32 HN PHE 32 16.774 2.143 -8.888 46 HA PHE 32 HA PHE 32 15.687 -0.569 -8.507 47 HB2 PHE 32 HB2 PHE 32 18.184 0.693 -7.365 48 HB3 PHE 32 HB1 PHE 32 17.512 -0.824 -6.779 49 HD1 PHE 32 HD1 PHE 32 19.369 0.815 -9.428 50 HD2 PHE 32 HD2 PHE 32 17.516 -2.818 -8.211 51 HE1 PHE 32 HE1 PHE 32 20.607 -0.396 -11.175 52 HE2 PHE 32 HE2 PHE 32 18.752 -4.036 -9.955 53 HZ PHE 32 HZ PHE 32 20.298 -2.836 -11.434 54 H LEU 33 HN LEU 33 15.913 2.659 -7.297 55 HA LEU 33 HA LEU 33 15.092 2.272 -4.649 56 HB2 LEU 33 HB2 LEU 33 15.958 4.395 -5.891 57 HB3 LEU 33 HB1 LEU 33 14.266 4.675 -6.239 58 HG LEU 33 HG LEU 33 15.087 5.941 -4.279 59 HD11 LEU 33 HD11 LEU 33 12.711 5.319 -4.510 60 HD12 LEU 33 HD12 LEU 33 13.226 5.470 -2.831 61 HD13 LEU 33 HD13 LEU 33 13.023 3.873 -3.550 62 HD21 LEU 33 HD21 LEU 33 16.705 4.302 -3.457 63 HD22 LEU 33 HD22 LEU 33 15.384 3.225 -3.006 64 HD23 LEU 33 HD23 LEU 33 15.569 4.779 -2.196 65 HA PRO 34 HA PRO 34 10.539 3.119 -6.569 66 HB2 PRO 34 HB2 PRO 34 11.097 1.319 -8.893 67 HB3 PRO 34 HB1 PRO 34 9.979 2.683 -8.771 68 HG2 PRO 34 HG2 PRO 34 12.303 2.970 -10.016 69 HG3 PRO 34 HG1 PRO 34 11.673 4.259 -8.974 70 HD2 PRO 34 HD2 PRO 34 13.878 2.322 -8.470 71 HD3 PRO 34 HD1 PRO 34 13.699 4.000 -7.922 72 H LEU 35 HN LEU 35 12.502 0.189 -6.718 73 HA LEU 35 HA LEU 35 10.303 -1.574 -6.192 74 HB2 LEU 35 HB2 LEU 35 12.271 -2.377 -7.380 75 HB3 LEU 35 HB1 LEU 35 13.278 -2.032 -5.986 76 HG LEU 35 HG LEU 35 11.004 -3.865 -5.512 77 HD11 LEU 35 HD11 LEU 35 11.738 -4.639 -7.689 78 HD12 LEU 35 HD12 LEU 35 12.205 -5.784 -6.431 79 HD13 LEU 35 HD13 LEU 35 13.408 -4.697 -7.124 80 HD21 LEU 35 HD21 LEU 35 12.550 -3.338 -3.731 81 HD22 LEU 35 HD22 LEU 35 13.915 -3.846 -4.726 82 HD23 LEU 35 HD23 LEU 35 12.728 -5.033 -4.187 83 H PHE 36 HN PHE 36 12.789 -0.001 -4.246 84 HA PHE 36 HA PHE 36 12.325 -1.383 -1.845 85 HB2 PHE 36 HB2 PHE 36 14.255 0.179 -2.364 86 HB3 PHE 36 HB1 PHE 36 13.153 1.515 -2.049 87 HD1 PHE 36 HD1 PHE 36 14.636 -1.510 -0.497 88 HD2 PHE 36 HD2 PHE 36 12.798 2.278 0.121 89 HE1 PHE 36 HE1 PHE 36 15.144 -1.661 1.905 90 HE2 PHE 36 HE2 PHE 36 13.303 2.134 2.525 91 HZ PHE 36 HZ PHE 36 14.473 0.148 3.420 92 H SER 37 HN SER 37 10.442 0.923 -3.521 93 HA SER 37 HA SER 37 8.955 1.812 -1.214 94 HB2 SER 37 HB2 SER 37 8.082 2.150 -4.067 95 HB3 SER 37 HB1 SER 37 7.727 3.178 -2.684 96 HG SER 37 HG SER 37 9.652 3.500 -4.411 97 H PHE 38 HN PHE 38 8.796 -0.765 -3.512 98 HA PHE 38 HA PHE 38 6.073 -1.388 -3.417 99 HB2 PHE 38 HB2 PHE 38 8.552 -2.876 -4.065 100 HB3 PHE 38 HB1 PHE 38 7.141 -3.847 -3.665 101 HD1 PHE 38 HD1 PHE 38 8.270 -1.082 -5.874 102 HD2 PHE 38 HD2 PHE 38 5.540 -4.294 -5.285 103 HE1 PHE 38 HE1 PHE 38 7.433 -0.785 -8.169 104 HE2 PHE 38 HE2 PHE 38 4.698 -4.003 -7.579 105 HZ PHE 38 HZ PHE 38 5.634 -2.259 -9.021 106 H LEU 39 HN LEU 39 8.680 -2.028 -1.191 107 HA LEU 39 HA LEU 39 7.283 -3.877 0.456 108 HB2 LEU 39 HB2 LEU 39 9.850 -2.498 0.453 109 HB3 LEU 39 HB1 LEU 39 9.175 -2.625 2.064 110 HG LEU 39 HG LEU 39 8.947 -5.098 1.692 111 HD11 LEU 39 HD11 LEU 39 10.266 -6.096 -0.117 112 HD12 LEU 39 HD12 LEU 39 10.593 -4.486 -0.759 113 HD13 LEU 39 HD13 LEU 39 8.942 -5.107 -0.735 114 HD21 LEU 39 HD21 LEU 39 11.327 -5.563 2.031 115 HD22 LEU 39 HD22 LEU 39 10.800 -4.168 2.971 116 HD23 LEU 39 HD23 LEU 39 11.723 -3.933 1.487 117 H ILE 40 HN ILE 40 7.302 -0.463 0.121 118 HA ILE 40 HA ILE 40 6.115 0.065 2.711 119 HB ILE 40 HB ILE 40 7.025 1.742 0.413 120 HG12 ILE 40 HG12 ILE 40 7.443 2.017 3.393 121 HG13 ILE 40 HG11 ILE 40 8.502 1.092 2.333 122 HG21 ILE 40 HG21 ILE 40 5.091 2.654 2.530 123 HG22 ILE 40 HG22 ILE 40 4.884 2.707 0.779 124 HG23 ILE 40 HG23 ILE 40 6.072 3.752 1.559 125 HD11 ILE 40 HD11 ILE 40 9.002 3.142 1.079 126 HD12 ILE 40 HD12 ILE 40 9.442 3.269 2.783 127 HD13 ILE 40 HD13 ILE 40 7.977 4.052 2.189 128 H VAL 41 HN VAL 41 5.126 0.189 -0.695 129 HA VAL 41 HA VAL 41 2.441 0.974 -0.131 130 HB VAL 41 HB VAL 41 3.517 -0.285 -2.658 131 HG11 VAL 41 HG11 VAL 41 1.651 0.914 -3.736 132 HG12 VAL 41 HG12 VAL 41 1.081 1.417 -2.144 133 HG13 VAL 41 HG13 VAL 41 1.100 -0.293 -2.573 134 HG21 VAL 41 HG21 VAL 41 3.365 2.625 -1.875 135 HG22 VAL 41 HG22 VAL 41 3.813 2.014 -3.468 136 HG23 VAL 41 HG23 VAL 41 4.835 1.672 -2.071 137 H ALA 42 HN ALA 42 4.120 -2.019 -0.160 138 HA ALA 42 HA ALA 42 2.288 -3.909 -0.883 139 HB1 ALA 42 HB1 ALA 42 4.124 -4.056 1.504 140 HB2 ALA 42 HB2 ALA 42 4.563 -4.432 -0.162 141 HB3 ALA 42 HB3 ALA 42 3.378 -5.427 0.682 142 H GLY 43 HN GLY 43 2.376 -2.064 2.121 143 HA2 GLY 43 HA2 GLY 43 0.157 -3.529 3.263 144 HA3 GLY 43 HA1 GLY 43 0.953 -2.127 3.960 145 H ALA 44 HN ALA 44 0.639 -0.553 1.499 146 HA ALA 44 HA ALA 44 -1.885 0.607 2.096 147 HB1 ALA 44 HB1 ALA 44 -0.031 1.141 -0.220 148 HB2 ALA 44 HB2 ALA 44 0.012 1.945 1.348 149 HB3 ALA 44 HB3 ALA 44 -1.378 2.160 0.284 150 H THR 45 HN THR 45 -0.875 -1.844 -0.109 151 HA THR 45 HA THR 45 -2.894 -1.552 -2.067 152 HB THR 45 HB THR 45 -2.424 -3.919 -2.647 153 HG1 THR 45 HG1 THR 45 -1.627 -4.064 -0.147 154 HG21 THR 45 HG21 THR 45 0.030 -2.224 -2.172 155 HG22 THR 45 HG22 THR 45 -1.033 -2.140 -3.576 156 HG23 THR 45 HG23 THR 45 -0.076 -3.592 -3.280 157 H THR 46 HN THR 46 -2.711 -3.504 0.893 158 HA THR 46 HA THR 46 -5.160 -4.837 0.616 159 HB THR 46 HB THR 46 -3.863 -3.992 3.215 160 HG1 THR 46 HG1 THR 46 -3.408 -6.206 1.488 161 HG21 THR 46 HG21 THR 46 -6.181 -4.806 3.431 162 HG22 THR 46 HG22 THR 46 -5.022 -5.917 4.160 163 HG23 THR 46 HG23 THR 46 -5.727 -6.287 2.588 164 H LEU 47 HN LEU 47 -4.376 -1.632 1.784 165 HA LEU 47 HA LEU 47 -6.997 -1.120 2.855 166 HB2 LEU 47 HB2 LEU 47 -4.712 -0.069 3.521 167 HB3 LEU 47 HB1 LEU 47 -4.991 1.002 2.163 168 HG LEU 47 HG LEU 47 -7.063 0.712 4.313 169 HD11 LEU 47 HD11 LEU 47 -6.059 2.601 5.484 170 HD12 LEU 47 HD12 LEU 47 -4.697 2.581 4.363 171 HD13 LEU 47 HD13 LEU 47 -4.962 1.220 5.453 172 HD21 LEU 47 HD21 LEU 47 -6.324 2.891 2.364 173 HD22 LEU 47 HD22 LEU 47 -7.549 3.047 3.623 174 HD23 LEU 47 HD23 LEU 47 -7.762 1.873 2.326 175 H PHE 48 HN PHE 48 -5.285 -0.517 -0.145 176 HA PHE 48 HA PHE 48 -7.034 1.345 -1.298 177 HB2 PHE 48 HB2 PHE 48 -4.874 0.977 -2.279 178 HB3 PHE 48 HB1 PHE 48 -5.221 -0.727 -2.545 179 HD1 PHE 48 HD1 PHE 48 -6.315 2.682 -3.539 180 HD2 PHE 48 HD2 PHE 48 -6.088 -1.440 -4.575 181 HE1 PHE 48 HE1 PHE 48 -7.129 3.209 -5.801 182 HE2 PHE 48 HE2 PHE 48 -6.902 -0.920 -6.839 183 HZ PHE 48 HZ PHE 48 -7.423 1.406 -7.454 184 H CYS 49 HN CYS 49 -6.858 -2.168 -1.908 185 HA CYS 49 HA CYS 49 -9.247 -2.287 -3.395 186 HB2 CYS 49 HB2 CYS 49 -7.539 -4.033 -3.527 187 HB3 CYS 49 HB1 CYS 49 -7.832 -4.468 -1.847 188 HG CYS 49 HG CYS 49 -10.726 -4.690 -3.186 189 H LEU 50 HN LEU 50 -8.636 -2.179 -0.006 190 HA LEU 50 HA LEU 50 -10.955 -3.442 0.962 191 HB2 LEU 50 HB2 LEU 50 -8.754 -2.392 2.115 192 HB3 LEU 50 HB1 LEU 50 -9.911 -1.125 2.472 193 HG LEU 50 HG LEU 50 -11.397 -2.936 3.456 194 HD11 LEU 50 HD11 LEU 50 -10.291 -4.991 4.164 195 HD12 LEU 50 HD12 LEU 50 -8.828 -4.509 3.302 196 HD13 LEU 50 HD13 LEU 50 -10.309 -4.850 2.406 197 HD21 LEU 50 HD21 LEU 50 -8.723 -2.372 4.733 198 HD22 LEU 50 HD22 LEU 50 -10.148 -2.983 5.573 199 HD23 LEU 50 HD23 LEU 50 -10.173 -1.375 4.851 200 H LEU 51 HN LEU 51 -10.284 0.001 0.352 201 HA LEU 51 HA LEU 51 -12.796 0.976 1.110 202 HB2 LEU 51 HB2 LEU 51 -10.902 2.107 -0.950 203 HB3 LEU 51 HB1 LEU 51 -12.214 2.977 -0.181 204 HG LEU 51 HG LEU 51 -9.764 1.898 1.218 205 HD11 LEU 51 HD11 LEU 51 -9.179 4.259 1.503 206 HD12 LEU 51 HD12 LEU 51 -10.577 4.719 0.531 207 HD13 LEU 51 HD13 LEU 51 -9.257 3.805 -0.200 208 HD21 LEU 51 HD21 LEU 51 -11.698 1.863 2.687 209 HD22 LEU 51 HD22 LEU 51 -12.071 3.535 2.268 210 HD23 LEU 51 HD23 LEU 51 -10.596 3.158 3.156 211 H HIS 52 HN HIS 52 -11.726 -0.551 -1.831 212 HA HIS 52 HA HIS 52 -13.992 0.293 -3.390 213 HB2 HIS 52 HB2 HIS 52 -11.763 -1.677 -3.851 214 HB3 HIS 52 HB1 HIS 52 -13.106 -1.524 -4.978 215 HD1 HIS 52 HD1 HIS 52 -10.852 -0.873 -6.487 216 HD2 HIS 52 HD2 HIS 52 -12.303 1.947 -3.802 217 HE1 HIS 52 HE1 HIS 52 -9.906 1.329 -7.247 218 HE2 HIS 52 HE2 HIS 52 -10.790 3.021 -5.603 219 H PHE 53 HN PHE 53 -13.417 -2.133 -1.082 220 HA PHE 53 HA PHE 53 -15.155 -4.151 -2.045 221 HB2 PHE 53 HB2 PHE 53 -13.443 -4.554 -0.311 222 HB3 PHE 53 HB1 PHE 53 -14.349 -3.543 0.808 223 HD1 PHE 53 HD1 PHE 53 -14.511 -6.669 -1.168 224 HD2 PHE 53 HD2 PHE 53 -16.101 -4.428 2.080 225 HE1 PHE 53 HE1 PHE 53 -15.803 -8.637 -0.448 226 HE2 PHE 53 HE2 PHE 53 -17.393 -6.391 2.808 227 HZ PHE 53 HZ PHE 53 -17.247 -8.503 1.531 228 H GLY 54 HN GLY 54 -15.726 -1.094 -0.613 229 HA2 GLY 54 HA2 GLY 54 -18.017 -0.242 -0.864 230 HA3 GLY 54 HA1 GLY 54 -18.577 -1.803 -0.284 231 H VAL 55 HN VAL 55 -15.815 -0.305 1.175 232 HA VAL 55 HA VAL 55 -17.175 -0.198 3.720 233 HB VAL 55 HB VAL 55 -14.374 0.745 3.103 234 HG11 VAL 55 HG11 VAL 55 -15.699 -0.181 5.649 235 HG12 VAL 55 HG12 VAL 55 -15.193 1.463 5.259 236 HG13 VAL 55 HG13 VAL 55 -13.984 0.197 5.478 237 HG21 VAL 55 HG21 VAL 55 -15.290 -2.026 3.871 238 HG22 VAL 55 HG22 VAL 55 -13.613 -1.494 3.748 239 HG23 VAL 55 HG23 VAL 55 -14.630 -1.543 2.308 240 H ILE 56 HN ILE 56 -16.779 1.894 1.125 241 HA ILE 56 HA ILE 56 -17.718 4.142 2.713 242 HB ILE 56 HB ILE 56 -16.152 5.700 1.513 243 HG12 ILE 56 HG12 ILE 56 -14.615 3.155 0.938 244 HG13 ILE 56 HG11 ILE 56 -15.489 4.092 -0.270 245 HG21 ILE 56 HG21 ILE 56 -14.919 3.682 3.383 246 HG22 ILE 56 HG22 ILE 56 -15.836 5.115 3.848 247 HG23 ILE 56 HG23 ILE 56 -14.279 5.289 3.040 248 HD11 ILE 56 HD11 ILE 56 -13.145 5.057 1.351 249 HD12 ILE 56 HD12 ILE 56 -14.021 5.992 0.139 250 HD13 ILE 56 HD13 ILE 56 -13.111 4.560 -0.341 251 H GLY 57 HN GLY 57 -19.646 4.335 1.766 252 HA2 GLY 57 HA2 GLY 57 -20.303 3.807 -0.888 253 HA3 GLY 57 HA1 GLY 57 -21.216 4.866 0.176 254 HA PRO 58 HA PRO 58 -19.299 7.406 -3.249 255 HB2 PRO 58 HB2 PRO 58 -21.552 8.330 -4.389 256 HB3 PRO 58 HB1 PRO 58 -20.887 6.744 -4.798 257 HG2 PRO 58 HG2 PRO 58 -23.131 7.430 -2.938 258 HG3 PRO 58 HG1 PRO 58 -23.038 6.137 -4.147 259 HD2 PRO 58 HD2 PRO 58 -22.597 5.737 -1.482 260 HD3 PRO 58 HD1 PRO 58 -21.848 4.752 -2.754 261 H GLN 59 HN GLN 59 -19.416 8.133 -0.582 262 HA GLN 59 HA GLN 59 -20.694 10.784 -0.633 263 HB2 GLN 59 HB2 GLN 59 -19.882 9.094 1.739 264 HB3 GLN 59 HB1 GLN 59 -20.617 10.689 1.831 265 HG2 GLN 59 HG2 GLN 59 -22.655 9.887 0.892 266 HG3 GLN 59 HG1 GLN 59 -21.930 8.324 0.519 267 HE21 GLN 59 HE21 GLN 59 -21.328 10.037 3.495 268 HE22 GLN 59 HE22 GLN 59 -22.186 8.949 4.526 269 H ARG 60 HN ARG 60 -17.985 9.803 -1.619 270 HA ARG 60 HA ARG 60 -15.953 10.823 0.027 271 HB2 ARG 60 HB2 ARG 60 -15.521 9.321 -1.868 272 HB3 ARG 60 HB1 ARG 60 -16.025 10.580 -2.988 273 HG2 ARG 60 HG2 ARG 60 -14.151 11.965 -2.314 274 HG3 ARG 60 HG1 ARG 60 -13.662 10.753 -1.129 275 HD2 ARG 60 HD2 ARG 60 -13.803 10.329 -4.112 276 HD3 ARG 60 HD1 ARG 60 -12.330 10.633 -3.194 277 HE ARG 60 HE ARG 60 -13.390 8.460 -1.976 278 HH11 ARG 60 HH11 ARG 60 -12.625 9.217 -5.289 279 HH12 ARG 60 HH12 ARG 60 -12.280 7.576 -5.721 280 HH21 ARG 60 HH21 ARG 60 -12.940 6.294 -2.536 281 HH22 ARG 60 HH22 ARG 60 -12.457 5.915 -4.155 Start of MODEL 10 1 H1 ARG 28 HT1 ARG 28 27.654 0.818 4.175 2 H2 ARG 28 HT2 ARG 28 27.710 1.749 5.586 3 H3 ARG 28 HT3 ARG 28 27.216 2.452 4.128 4 HA ARG 28 HA ARG 28 25.789 0.291 5.564 5 HB2 ARG 28 HB2 ARG 28 25.106 3.226 5.278 6 HB3 ARG 28 HB1 ARG 28 24.097 2.011 6.051 7 HG2 ARG 28 HG2 ARG 28 25.997 1.620 7.659 8 HG3 ARG 28 HG1 ARG 28 26.756 3.060 6.974 9 HD2 ARG 28 HD2 ARG 28 25.523 3.628 8.989 10 HD3 ARG 28 HD1 ARG 28 24.776 4.377 7.579 11 HE ARG 28 HE ARG 28 23.607 1.849 8.226 12 HH11 ARG 28 HH11 ARG 28 23.608 5.240 9.035 13 HH12 ARG 28 HH12 ARG 28 21.988 5.224 9.649 14 HH21 ARG 28 HH21 ARG 28 21.479 1.821 9.038 15 HH22 ARG 28 HH22 ARG 28 20.780 3.281 9.653 16 H ARG 29 HN ARG 29 26.578 0.140 2.850 17 HA ARG 29 HA ARG 29 24.096 0.716 1.388 18 HB2 ARG 29 HB2 ARG 29 26.125 1.590 0.357 19 HB3 ARG 29 HB1 ARG 29 26.855 -0.008 0.382 20 HG2 ARG 29 HG2 ARG 29 25.228 -0.819 -1.209 21 HG3 ARG 29 HG1 ARG 29 24.389 0.734 -1.179 22 HD2 ARG 29 HD2 ARG 29 26.324 1.837 -2.122 23 HD3 ARG 29 HD1 ARG 29 27.249 0.338 -2.049 24 HE ARG 29 HE ARG 29 24.983 -0.162 -3.580 25 HH11 ARG 29 HH11 ARG 29 27.828 1.845 -3.724 26 HH12 ARG 29 HH12 ARG 29 27.891 1.856 -5.454 27 HH21 ARG 29 HH21 ARG 29 25.063 -0.158 -5.861 28 HH22 ARG 29 HH22 ARG 29 26.321 0.717 -6.668 29 H CYS 30 HN CYS 30 22.736 -0.882 0.897 30 HA CYS 30 HA CYS 30 23.751 -3.640 0.831 31 HB2 CYS 30 HB2 CYS 30 21.173 -2.764 2.150 32 HB3 CYS 30 HB1 CYS 30 21.749 -4.421 2.008 33 HG CYS 30 HG CYS 30 22.489 -2.117 4.276 34 H LEU 31 HN LEU 31 22.851 -4.970 -0.691 35 HA LEU 31 HA LEU 31 21.415 -3.661 -2.829 36 HB2 LEU 31 HB2 LEU 31 22.597 -6.403 -2.481 37 HB3 LEU 31 HB1 LEU 31 21.593 -6.008 -3.862 38 HG LEU 31 HG LEU 31 23.201 -4.186 -4.440 39 HD11 LEU 31 HD11 LEU 31 24.845 -5.444 -2.250 40 HD12 LEU 31 HD12 LEU 31 24.189 -3.807 -2.265 41 HD13 LEU 31 HD13 LEU 31 25.438 -4.267 -3.422 42 HD21 LEU 31 HD21 LEU 31 24.909 -5.689 -5.336 43 HD22 LEU 31 HD22 LEU 31 23.289 -6.356 -5.544 44 HD23 LEU 31 HD23 LEU 31 24.341 -6.972 -4.268 45 H PHE 32 HN PHE 32 20.352 -4.745 -0.028 46 HA PHE 32 HA PHE 32 17.805 -5.671 -1.165 47 HB2 PHE 32 HB2 PHE 32 17.573 -7.202 0.806 48 HB3 PHE 32 HB1 PHE 32 18.853 -7.658 -0.313 49 HD1 PHE 32 HD1 PHE 32 18.092 -6.348 3.017 50 HD2 PHE 32 HD2 PHE 32 21.174 -7.526 0.327 51 HE1 PHE 32 HE1 PHE 32 19.703 -6.365 4.876 52 HE2 PHE 32 HE2 PHE 32 22.789 -7.545 2.182 53 HZ PHE 32 HZ PHE 32 22.056 -6.975 4.459 54 H LEU 33 HN LEU 33 18.876 -3.083 -0.100 55 HA LEU 33 HA LEU 33 17.330 -2.685 2.323 56 HB2 LEU 33 HB2 LEU 33 19.523 -1.663 2.186 57 HB3 LEU 33 HB1 LEU 33 19.065 -0.797 0.734 58 HG LEU 33 HG LEU 33 17.410 0.492 2.031 59 HD11 LEU 33 HD11 LEU 33 16.917 -1.134 3.766 60 HD12 LEU 33 HD12 LEU 33 17.455 0.386 4.481 61 HD13 LEU 33 HD13 LEU 33 18.558 -0.987 4.395 62 HD21 LEU 33 HD21 LEU 33 19.644 1.392 1.704 63 HD22 LEU 33 HD22 LEU 33 20.212 0.548 3.146 64 HD23 LEU 33 HD23 LEU 33 19.023 1.841 3.292 65 HA PRO 34 HA PRO 34 15.139 0.394 -0.878 66 HB2 PRO 34 HB2 PRO 34 15.399 -1.367 -3.263 67 HB3 PRO 34 HB1 PRO 34 15.424 0.396 -3.155 68 HG2 PRO 34 HG2 PRO 34 17.675 -0.958 -3.549 69 HG3 PRO 34 HG1 PRO 34 17.644 0.455 -2.478 70 HD2 PRO 34 HD2 PRO 34 17.690 -2.452 -1.778 71 HD3 PRO 34 HD1 PRO 34 18.520 -1.091 -0.998 72 H LEU 35 HN LEU 35 15.012 -2.940 -0.313 73 HA LEU 35 HA LEU 35 12.494 -3.590 -1.415 74 HB2 LEU 35 HB2 LEU 35 14.514 -4.929 -0.055 75 HB3 LEU 35 HB1 LEU 35 13.143 -5.024 1.030 76 HG LEU 35 HG LEU 35 13.239 -6.996 -0.380 77 HD11 LEU 35 HD11 LEU 35 10.992 -6.983 -1.240 78 HD12 LEU 35 HD12 LEU 35 10.969 -5.220 -1.249 79 HD13 LEU 35 HD13 LEU 35 11.038 -6.092 0.282 80 HD21 LEU 35 HD21 LEU 35 14.435 -5.985 -2.273 81 HD22 LEU 35 HD22 LEU 35 12.970 -5.109 -2.718 82 HD23 LEU 35 HD23 LEU 35 13.000 -6.871 -2.790 83 H PHE 36 HN PHE 36 13.204 -1.388 0.939 84 HA PHE 36 HA PHE 36 11.167 -1.905 2.851 85 HB2 PHE 36 HB2 PHE 36 11.685 0.238 3.767 86 HB3 PHE 36 HB1 PHE 36 13.203 -0.463 3.219 87 HD1 PHE 36 HD1 PHE 36 14.163 0.309 1.019 88 HD2 PHE 36 HD2 PHE 36 10.950 2.312 2.959 89 HE1 PHE 36 HE1 PHE 36 14.614 2.323 -0.321 90 HE2 PHE 36 HE2 PHE 36 11.394 4.330 1.623 91 HZ PHE 36 HZ PHE 36 13.219 4.344 -0.011 92 H SER 37 HN SER 37 11.294 -0.050 -0.135 93 HA SER 37 HA SER 37 8.827 1.298 0.197 94 HB2 SER 37 HB2 SER 37 10.190 0.574 -2.393 95 HB3 SER 37 HB1 SER 37 8.994 1.843 -2.155 96 HG SER 37 HG SER 37 11.401 2.348 -2.143 97 H PHE 38 HN PHE 38 9.651 -1.910 -0.756 98 HA PHE 38 HA PHE 38 7.240 -2.510 -2.155 99 HB2 PHE 38 HB2 PHE 38 9.380 -4.213 -0.930 100 HB3 PHE 38 HB1 PHE 38 7.981 -4.907 -1.737 101 HD1 PHE 38 HD1 PHE 38 10.922 -2.718 -2.234 102 HD2 PHE 38 HD2 PHE 38 7.908 -5.093 -4.072 103 HE1 PHE 38 HE1 PHE 38 12.076 -2.500 -4.397 104 HE2 PHE 38 HE2 PHE 38 9.057 -4.882 -6.238 105 HZ PHE 38 HZ PHE 38 11.144 -3.591 -6.403 106 H LEU 39 HN LEU 39 8.374 -3.031 1.158 107 HA LEU 39 HA LEU 39 6.033 -4.386 2.029 108 HB2 LEU 39 HB2 LEU 39 8.334 -3.050 3.411 109 HB3 LEU 39 HB1 LEU 39 6.938 -3.555 4.341 110 HG LEU 39 HG LEU 39 8.732 -5.212 4.435 111 HD11 LEU 39 HD11 LEU 39 6.428 -5.970 4.624 112 HD12 LEU 39 HD12 LEU 39 7.427 -7.178 3.816 113 HD13 LEU 39 HD13 LEU 39 6.336 -6.162 2.873 114 HD21 LEU 39 HD21 LEU 39 9.760 -4.779 2.267 115 HD22 LEU 39 HD22 LEU 39 8.344 -5.446 1.454 116 HD23 LEU 39 HD23 LEU 39 9.361 -6.487 2.450 117 H ILE 40 HN ILE 40 6.912 -1.083 1.600 118 HA ILE 40 HA ILE 40 4.736 -0.044 3.205 119 HB ILE 40 HB ILE 40 7.121 1.047 1.903 120 HG12 ILE 40 HG12 ILE 40 5.440 2.061 4.204 121 HG13 ILE 40 HG11 ILE 40 6.719 0.861 4.355 122 HG21 ILE 40 HG21 ILE 40 5.581 2.201 0.476 123 HG22 ILE 40 HG22 ILE 40 6.199 3.343 1.668 124 HG23 ILE 40 HG23 ILE 40 4.581 2.667 1.852 125 HD11 ILE 40 HD11 ILE 40 8.350 2.509 3.587 126 HD12 ILE 40 HD12 ILE 40 7.490 3.059 5.024 127 HD13 ILE 40 HD13 ILE 40 7.065 3.707 3.441 128 H VAL 41 HN VAL 41 5.418 -0.772 -0.134 129 HA VAL 41 HA VAL 41 3.167 0.706 -1.158 130 HB VAL 41 HB VAL 41 5.418 0.092 -2.354 131 HG11 VAL 41 HG11 VAL 41 5.149 -2.304 -2.151 132 HG12 VAL 41 HG12 VAL 41 5.194 -1.815 -3.845 133 HG13 VAL 41 HG13 VAL 41 3.657 -2.225 -3.083 134 HG21 VAL 41 HG21 VAL 41 2.747 0.070 -3.755 135 HG22 VAL 41 HG22 VAL 41 4.304 0.391 -4.519 136 HG23 VAL 41 HG23 VAL 41 3.675 1.501 -3.301 137 H ALA 42 HN ALA 42 3.879 -2.555 -0.201 138 HA ALA 42 HA ALA 42 1.684 -3.840 -1.425 139 HB1 ALA 42 HB1 ALA 42 2.118 -5.668 0.133 140 HB2 ALA 42 HB2 ALA 42 3.179 -4.621 1.075 141 HB3 ALA 42 HB3 ALA 42 3.617 -5.065 -0.574 142 H GLY 43 HN GLY 43 2.051 -2.124 1.617 143 HA2 GLY 43 HA2 GLY 43 -0.507 -2.940 2.648 144 HA3 GLY 43 HA1 GLY 43 0.544 -1.703 3.322 145 H ALA 44 HN ALA 44 0.653 -0.340 0.654 146 HA ALA 44 HA ALA 44 -1.581 1.394 1.080 147 HB1 ALA 44 HB1 ALA 44 -0.694 2.679 -0.788 148 HB2 ALA 44 HB2 ALA 44 0.417 1.367 -1.180 149 HB3 ALA 44 HB3 ALA 44 0.591 2.246 0.338 150 H THR 45 HN THR 45 -0.729 -1.046 -1.325 151 HA THR 45 HA THR 45 -2.989 -0.544 -3.001 152 HB THR 45 HB THR 45 -2.397 -2.713 -4.071 153 HG1 THR 45 HG1 THR 45 -1.540 -3.820 -2.294 154 HG21 THR 45 HG21 THR 45 -0.204 -1.990 -4.924 155 HG22 THR 45 HG22 THR 45 -0.097 -0.808 -3.620 156 HG23 THR 45 HG23 THR 45 -1.354 -0.655 -4.848 157 H THR 46 HN THR 46 -2.271 -2.754 -0.364 158 HA THR 46 HA THR 46 -4.595 -4.362 -0.636 159 HB THR 46 HB THR 46 -2.874 -3.869 1.804 160 HG1 THR 46 HG1 THR 46 -2.799 -5.805 -0.276 161 HG21 THR 46 HG21 THR 46 -3.804 -5.983 2.638 162 HG22 THR 46 HG22 THR 46 -4.872 -6.065 1.236 163 HG23 THR 46 HG23 THR 46 -5.063 -4.768 2.417 164 H LEU 47 HN LEU 47 -3.814 -1.500 1.285 165 HA LEU 47 HA LEU 47 -6.299 -1.452 2.681 166 HB2 LEU 47 HB2 LEU 47 -4.248 -0.417 3.561 167 HB3 LEU 47 HB1 LEU 47 -4.277 0.747 2.251 168 HG LEU 47 HG LEU 47 -6.473 1.576 3.123 169 HD11 LEU 47 HD11 LEU 47 -7.152 -0.417 4.344 170 HD12 LEU 47 HD12 LEU 47 -7.099 0.986 5.411 171 HD13 LEU 47 HD13 LEU 47 -5.801 -0.208 5.459 172 HD21 LEU 47 HD21 LEU 47 -5.493 2.803 5.006 173 HD22 LEU 47 HD22 LEU 47 -4.398 2.740 3.624 174 HD23 LEU 47 HD23 LEU 47 -4.126 1.690 5.013 175 H PHE 48 HN PHE 48 -5.110 -0.040 -0.303 176 HA PHE 48 HA PHE 48 -7.181 1.839 -0.682 177 HB2 PHE 48 HB2 PHE 48 -5.015 1.809 -1.937 178 HB3 PHE 48 HB1 PHE 48 -5.605 0.413 -2.833 179 HD1 PHE 48 HD1 PHE 48 -6.043 4.009 -2.240 180 HD2 PHE 48 HD2 PHE 48 -7.225 0.652 -4.573 181 HE1 PHE 48 HE1 PHE 48 -7.131 5.518 -3.852 182 HE2 PHE 48 HE2 PHE 48 -8.313 2.153 -6.190 183 HZ PHE 48 HZ PHE 48 -8.267 4.589 -5.831 184 H CYS 49 HN CYS 49 -6.736 -1.416 -2.058 185 HA CYS 49 HA CYS 49 -9.287 -1.508 -3.285 186 HB2 CYS 49 HB2 CYS 49 -7.461 -2.939 -4.041 187 HB3 CYS 49 HB1 CYS 49 -7.423 -3.752 -2.479 188 HG CYS 49 HG CYS 49 -8.781 -4.975 -4.946 189 H LEU 50 HN LEU 50 -8.190 -2.055 -0.074 190 HA LEU 50 HA LEU 50 -10.100 -3.821 0.914 191 HB2 LEU 50 HB2 LEU 50 -7.993 -2.568 1.990 192 HB3 LEU 50 HB1 LEU 50 -9.267 -1.561 2.645 193 HG LEU 50 HG LEU 50 -10.329 -3.636 3.574 194 HD11 LEU 50 HD11 LEU 50 -8.929 -5.633 3.775 195 HD12 LEU 50 HD12 LEU 50 -7.705 -4.877 2.755 196 HD13 LEU 50 HD13 LEU 50 -9.291 -5.263 2.089 197 HD21 LEU 50 HD21 LEU 50 -8.746 -3.832 5.436 198 HD22 LEU 50 HD22 LEU 50 -9.006 -2.152 4.970 199 HD23 LEU 50 HD23 LEU 50 -7.529 -2.982 4.484 200 H LEU 51 HN LEU 51 -10.190 -0.264 0.812 201 HA LEU 51 HA LEU 51 -12.680 0.097 2.007 202 HB2 LEU 51 HB2 LEU 51 -11.382 1.757 -0.157 203 HB3 LEU 51 HB1 LEU 51 -12.731 2.273 0.836 204 HG LEU 51 HG LEU 51 -9.974 1.610 1.876 205 HD11 LEU 51 HD11 LEU 51 -9.963 3.633 0.522 206 HD12 LEU 51 HD12 LEU 51 -9.755 4.018 2.230 207 HD13 LEU 51 HD13 LEU 51 -11.317 4.276 1.452 208 HD21 LEU 51 HD21 LEU 51 -10.785 2.612 3.961 209 HD22 LEU 51 HD22 LEU 51 -11.716 1.180 3.518 210 HD23 LEU 51 HD23 LEU 51 -12.389 2.789 3.248 211 H HIS 52 HN HIS 52 -11.837 -0.818 -1.253 212 HA HIS 52 HA HIS 52 -14.404 -0.353 -2.399 213 HB2 HIS 52 HB2 HIS 52 -12.397 -0.450 -3.787 214 HB3 HIS 52 HB1 HIS 52 -12.126 -2.123 -3.315 215 HD1 HIS 52 HD1 HIS 52 -13.581 -3.922 -4.440 216 HD2 HIS 52 HD2 HIS 52 -14.407 -0.053 -5.708 217 HE1 HIS 52 HE1 HIS 52 -15.020 -4.178 -6.486 218 HE2 HIS 52 HE2 HIS 52 -15.432 -1.826 -7.287 219 H PHE 53 HN PHE 53 -12.986 -2.934 -0.578 220 HA PHE 53 HA PHE 53 -14.687 -5.038 -1.370 221 HB2 PHE 53 HB2 PHE 53 -12.554 -5.327 -0.113 222 HB3 PHE 53 HB1 PHE 53 -13.341 -4.661 1.313 223 HD1 PHE 53 HD1 PHE 53 -13.498 -7.454 -1.119 224 HD2 PHE 53 HD2 PHE 53 -14.578 -6.030 2.744 225 HE1 PHE 53 HE1 PHE 53 -14.290 -9.702 -0.517 226 HE2 PHE 53 HE2 PHE 53 -15.372 -8.278 3.353 227 HZ PHE 53 HZ PHE 53 -15.229 -10.117 1.723 228 H GLY 54 HN GLY 54 -15.166 -2.321 0.716 229 HA2 GLY 54 HA2 GLY 54 -17.523 -1.724 1.098 230 HA3 GLY 54 HA1 GLY 54 -17.807 -3.419 1.465 231 H VAL 55 HN VAL 55 -14.945 -1.792 2.591 232 HA VAL 55 HA VAL 55 -15.348 -2.502 5.272 233 HB VAL 55 HB VAL 55 -13.564 -0.354 4.117 234 HG11 VAL 55 HG11 VAL 55 -12.275 -0.581 6.206 235 HG12 VAL 55 HG12 VAL 55 -13.529 -1.643 6.844 236 HG13 VAL 55 HG13 VAL 55 -13.901 0.042 6.484 237 HG21 VAL 55 HG21 VAL 55 -12.901 -3.176 4.940 238 HG22 VAL 55 HG22 VAL 55 -11.819 -2.006 4.184 239 HG23 VAL 55 HG23 VAL 55 -13.186 -2.658 3.280 240 H ILE 56 HN ILE 56 -16.431 0.225 3.445 241 HA ILE 56 HA ILE 56 -17.878 1.207 5.778 242 HB ILE 56 HB ILE 56 -17.317 3.582 5.147 243 HG12 ILE 56 HG12 ILE 56 -15.081 2.215 3.628 244 HG13 ILE 56 HG11 ILE 56 -16.399 3.138 2.913 245 HG21 ILE 56 HG21 ILE 56 -15.054 1.861 6.153 246 HG22 ILE 56 HG22 ILE 56 -16.394 2.476 7.121 247 HG23 ILE 56 HG23 ILE 56 -15.233 3.597 6.411 248 HD11 ILE 56 HD11 ILE 56 -14.370 4.447 2.970 249 HD12 ILE 56 HD12 ILE 56 -14.242 4.217 4.715 250 HD13 ILE 56 HD13 ILE 56 -15.579 5.152 4.044 251 H GLY 57 HN GLY 57 -19.843 0.727 5.008 252 HA2 GLY 57 HA2 GLY 57 -20.718 0.908 2.364 253 HA3 GLY 57 HA1 GLY 57 -21.767 0.952 3.775 254 HA PRO 58 HA PRO 58 -21.773 5.132 1.661 255 HB2 PRO 58 HB2 PRO 58 -24.325 5.202 0.820 256 HB3 PRO 58 HB1 PRO 58 -23.057 4.409 -0.123 257 HG2 PRO 58 HG2 PRO 58 -25.094 3.196 1.709 258 HG3 PRO 58 HG1 PRO 58 -24.570 2.652 0.104 259 HD2 PRO 58 HD2 PRO 58 -23.643 1.572 2.436 260 HD3 PRO 58 HD1 PRO 58 -22.700 1.610 0.933 261 H GLN 59 HN GLN 59 -21.804 4.765 4.371 262 HA GLN 59 HA GLN 59 -22.525 5.671 6.327 263 HB2 GLN 59 HB2 GLN 59 -23.950 7.568 4.452 264 HB3 GLN 59 HB1 GLN 59 -23.777 7.815 6.184 265 HG2 GLN 59 HG2 GLN 59 -21.340 7.393 4.530 266 HG3 GLN 59 HG1 GLN 59 -22.150 8.959 4.493 267 HE21 GLN 59 HE21 GLN 59 -22.128 6.929 7.329 268 HE22 GLN 59 HE22 GLN 59 -21.085 7.927 8.277 269 H ARG 60 HN ARG 60 -23.716 3.584 6.486 270 HA ARG 60 HA ARG 60 -26.620 3.897 6.267 271 HB2 ARG 60 HB2 ARG 60 -26.674 1.427 6.658 272 HB3 ARG 60 HB1 ARG 60 -25.828 1.912 5.196 273 HG2 ARG 60 HG2 ARG 60 -23.683 1.670 6.432 274 HG3 ARG 60 HG1 ARG 60 -24.598 1.025 7.797 275 HD2 ARG 60 HD2 ARG 60 -24.390 -0.138 5.025 276 HD3 ARG 60 HD1 ARG 60 -23.722 -0.807 6.512 277 HE ARG 60 HE ARG 60 -26.287 -0.785 7.132 278 HH11 ARG 60 HH11 ARG 60 -24.744 -1.726 4.153 279 HH12 ARG 60 HH12 ARG 60 -25.970 -2.874 3.730 280 HH21 ARG 60 HH21 ARG 60 -27.909 -2.295 6.579 281 HH22 ARG 60 HH22 ARG 60 -27.768 -3.194 5.107 Start of MODEL 11 1 H1 ARG 28 HT1 ARG 28 24.576 -8.763 1.633 2 H2 ARG 28 HT2 ARG 28 25.341 -10.223 2.012 3 H3 ARG 28 HT3 ARG 28 26.177 -8.761 2.179 4 HA ARG 28 HA ARG 28 23.796 -9.570 3.744 5 HB2 ARG 28 HB2 ARG 28 26.690 -9.337 4.600 6 HB3 ARG 28 HB1 ARG 28 25.337 -9.782 5.630 7 HG2 ARG 28 HG2 ARG 28 26.291 -11.367 3.255 8 HG3 ARG 28 HG1 ARG 28 26.694 -11.711 4.938 9 HD2 ARG 28 HD2 ARG 28 24.290 -11.993 5.423 10 HD3 ARG 28 HD1 ARG 28 23.936 -11.725 3.717 11 HE ARG 28 HE ARG 28 25.777 -13.795 3.848 12 HH11 ARG 28 HH11 ARG 28 22.506 -13.167 4.873 13 HH12 ARG 28 HH12 ARG 28 22.025 -14.829 4.787 14 HH21 ARG 28 HH21 ARG 28 25.152 -15.981 3.731 15 HH22 ARG 28 HH22 ARG 28 23.530 -16.429 4.141 16 H ARG 29 HN ARG 29 24.047 -7.150 2.254 17 HA ARG 29 HA ARG 29 24.147 -5.229 4.478 18 HB2 ARG 29 HB2 ARG 29 25.019 -3.537 2.839 19 HB3 ARG 29 HB1 ARG 29 26.150 -4.822 3.245 20 HG2 ARG 29 HG2 ARG 29 25.540 -5.975 1.152 21 HG3 ARG 29 HG1 ARG 29 24.495 -4.614 0.739 22 HD2 ARG 29 HD2 ARG 29 26.421 -3.118 0.769 23 HD3 ARG 29 HD1 ARG 29 27.469 -4.463 1.213 24 HE ARG 29 HE ARG 29 26.068 -5.027 -1.186 25 HH11 ARG 29 HH11 ARG 29 28.720 -3.156 0.081 26 HH12 ARG 29 HH12 ARG 29 29.582 -3.122 -1.420 27 HH21 ARG 29 HH21 ARG 29 27.197 -4.991 -3.166 28 HH22 ARG 29 HH22 ARG 29 28.715 -4.165 -3.267 29 H CYS 30 HN CYS 30 22.306 -4.168 4.735 30 HA CYS 30 HA CYS 30 20.364 -4.170 2.533 31 HB2 CYS 30 HB2 CYS 30 19.973 -3.744 5.503 32 HB3 CYS 30 HB1 CYS 30 18.687 -3.672 4.303 33 HG CYS 30 HG CYS 30 18.082 -6.121 4.813 34 H LEU 31 HN LEU 31 21.105 -2.400 1.369 35 HA LEU 31 HA LEU 31 20.927 0.197 2.750 36 HB2 LEU 31 HB2 LEU 31 23.168 -0.391 1.828 37 HB3 LEU 31 HB1 LEU 31 22.454 -0.449 0.228 38 HG LEU 31 HG LEU 31 21.854 1.953 0.448 39 HD11 LEU 31 HD11 LEU 31 22.891 3.268 2.231 40 HD12 LEU 31 HD12 LEU 31 23.485 1.785 2.979 41 HD13 LEU 31 HD13 LEU 31 21.751 2.088 2.876 42 HD21 LEU 31 HD21 LEU 31 23.881 1.304 -0.719 43 HD22 LEU 31 HD22 LEU 31 24.771 1.281 0.804 44 HD23 LEU 31 HD23 LEU 31 24.141 2.803 0.174 45 H PHE 32 HN PHE 32 18.819 0.707 2.436 46 HA PHE 32 HA PHE 32 16.952 1.458 1.393 47 HB2 PHE 32 HB2 PHE 32 18.523 2.977 0.255 48 HB3 PHE 32 HB1 PHE 32 18.775 1.770 -1.003 49 HD1 PHE 32 HD1 PHE 32 15.988 3.621 0.650 50 HD2 PHE 32 HD2 PHE 32 17.557 1.960 -2.940 51 HE1 PHE 32 HE1 PHE 32 14.084 4.544 -0.604 52 HE2 PHE 32 HE2 PHE 32 15.654 2.881 -4.201 53 HZ PHE 32 HZ PHE 32 13.916 4.175 -3.033 54 H LEU 33 HN LEU 33 18.315 0.108 -1.572 55 HA LEU 33 HA LEU 33 17.670 -1.591 -2.929 56 HB2 LEU 33 HB2 LEU 33 17.829 -2.707 -0.482 57 HB3 LEU 33 HB1 LEU 33 16.142 -3.012 -0.831 58 HG LEU 33 HG LEU 33 17.624 -4.908 -1.398 59 HD11 LEU 33 HD11 LEU 33 16.596 -3.922 -4.005 60 HD12 LEU 33 HD12 LEU 33 15.460 -4.170 -2.681 61 HD13 LEU 33 HD13 LEU 33 16.448 -5.512 -3.257 62 HD21 LEU 33 HD21 LEU 33 19.117 -4.764 -3.308 63 HD22 LEU 33 HD22 LEU 33 19.598 -3.617 -2.058 64 HD23 LEU 33 HD23 LEU 33 18.742 -3.050 -3.493 65 HA PRO 34 HA PRO 34 13.724 0.050 -4.229 66 HB2 PRO 34 HB2 PRO 34 13.351 -1.789 -6.270 67 HB3 PRO 34 HB1 PRO 34 14.264 -0.283 -6.412 68 HG2 PRO 34 HG2 PRO 34 15.255 -3.061 -5.926 69 HG3 PRO 34 HG1 PRO 34 15.940 -1.789 -6.956 70 HD2 PRO 34 HD2 PRO 34 16.997 -2.334 -4.559 71 HD3 PRO 34 HD1 PRO 34 16.875 -0.665 -5.148 72 H LEU 35 HN LEU 35 14.304 -3.303 -3.437 73 HA LEU 35 HA LEU 35 11.655 -4.249 -3.557 74 HB2 LEU 35 HB2 LEU 35 14.040 -5.407 -3.089 75 HB3 LEU 35 HB1 LEU 35 13.438 -5.325 -1.446 76 HG LEU 35 HG LEU 35 12.976 -7.495 -2.484 77 HD11 LEU 35 HD11 LEU 35 10.619 -7.646 -1.944 78 HD12 LEU 35 HD12 LEU 35 10.468 -5.892 -2.026 79 HD13 LEU 35 HD13 LEU 35 11.457 -6.633 -0.768 80 HD21 LEU 35 HD21 LEU 35 12.793 -6.744 -4.803 81 HD22 LEU 35 HD22 LEU 35 11.273 -5.935 -4.421 82 HD23 LEU 35 HD23 LEU 35 11.388 -7.692 -4.316 83 H PHE 36 HN PHE 36 13.360 -2.355 -1.200 84 HA PHE 36 HA PHE 36 11.752 -2.753 1.051 85 HB2 PHE 36 HB2 PHE 36 13.879 -1.605 1.208 86 HB3 PHE 36 HB1 PHE 36 13.301 -0.311 0.166 87 HD1 PHE 36 HD1 PHE 36 12.841 -1.897 3.475 88 HD2 PHE 36 HD2 PHE 36 12.155 1.534 1.053 89 HE1 PHE 36 HE1 PHE 36 12.079 -0.654 5.458 90 HE2 PHE 36 HE2 PHE 36 11.393 2.784 3.031 91 HZ PHE 36 HZ PHE 36 11.361 1.697 5.235 92 H SER 37 HN SER 37 11.213 -0.887 -1.837 93 HA SER 37 HA SER 37 9.096 0.715 -0.765 94 HB2 SER 37 HB2 SER 37 9.762 0.126 -3.645 95 HB3 SER 37 HB1 SER 37 8.721 1.421 -3.067 96 HG SER 37 HG SER 37 11.336 1.480 -3.405 97 H PHE 38 HN PHE 38 9.324 -2.465 -2.068 98 HA PHE 38 HA PHE 38 6.614 -2.718 -2.902 99 HB2 PHE 38 HB2 PHE 38 8.789 -4.692 -2.320 100 HB3 PHE 38 HB1 PHE 38 7.165 -5.218 -2.739 101 HD1 PHE 38 HD1 PHE 38 10.044 -3.220 -3.948 102 HD2 PHE 38 HD2 PHE 38 6.484 -5.313 -4.970 103 HE1 PHE 38 HE1 PHE 38 10.599 -2.992 -6.335 104 HE2 PHE 38 HE2 PHE 38 7.031 -5.089 -7.358 105 HZ PHE 38 HZ PHE 38 9.088 -3.912 -8.043 106 H LEU 39 HN LEU 39 8.336 -3.348 0.102 107 HA LEU 39 HA LEU 39 6.136 -4.639 1.389 108 HB2 LEU 39 HB2 LEU 39 8.680 -3.402 2.427 109 HB3 LEU 39 HB1 LEU 39 7.481 -4.111 3.491 110 HG LEU 39 HG LEU 39 7.769 -6.269 2.198 111 HD11 LEU 39 HD11 LEU 39 9.856 -6.532 0.947 112 HD12 LEU 39 HD12 LEU 39 10.181 -4.809 1.131 113 HD13 LEU 39 HD13 LEU 39 8.789 -5.348 0.192 114 HD21 LEU 39 HD21 LEU 39 8.745 -5.909 4.406 115 HD22 LEU 39 HD22 LEU 39 10.165 -5.170 3.665 116 HD23 LEU 39 HD23 LEU 39 9.813 -6.875 3.388 117 H ILE 40 HN ILE 40 7.158 -1.376 0.904 118 HA ILE 40 HA ILE 40 5.403 -0.277 2.925 119 HB ILE 40 HB ILE 40 7.573 0.710 1.251 120 HG12 ILE 40 HG12 ILE 40 6.313 1.787 3.780 121 HG13 ILE 40 HG11 ILE 40 7.572 0.558 3.724 122 HG21 ILE 40 HG21 ILE 40 5.871 1.935 0.070 123 HG22 ILE 40 HG22 ILE 40 6.769 3.044 1.105 124 HG23 ILE 40 HG23 ILE 40 5.165 2.491 1.589 125 HD11 ILE 40 HD11 ILE 40 7.825 3.404 2.781 126 HD12 ILE 40 HD12 ILE 40 9.086 2.176 2.684 127 HD13 ILE 40 HD13 ILE 40 8.506 2.722 4.258 128 H VAL 41 HN VAL 41 5.417 -0.840 -0.517 129 HA VAL 41 HA VAL 41 3.117 0.779 -1.069 130 HB VAL 41 HB VAL 41 5.045 0.018 -2.666 131 HG11 VAL 41 HG11 VAL 41 4.408 -1.853 -4.084 132 HG12 VAL 41 HG12 VAL 41 3.020 -2.162 -3.040 133 HG13 VAL 41 HG13 VAL 41 4.654 -2.354 -2.412 134 HG21 VAL 41 HG21 VAL 41 2.173 0.168 -3.576 135 HG22 VAL 41 HG22 VAL 41 3.596 0.448 -4.579 136 HG23 VAL 41 HG23 VAL 41 3.223 1.548 -3.251 137 H ALA 42 HN ALA 42 3.739 -2.529 -0.245 138 HA ALA 42 HA ALA 42 1.359 -3.730 -1.068 139 HB1 ALA 42 HB1 ALA 42 3.037 -4.407 1.345 140 HB2 ALA 42 HB2 ALA 42 3.300 -4.995 -0.295 141 HB3 ALA 42 HB3 ALA 42 1.845 -5.460 0.586 142 H GLY 43 HN GLY 43 2.067 -1.760 1.742 143 HA2 GLY 43 HA2 GLY 43 -0.325 -2.395 3.168 144 HA3 GLY 43 HA1 GLY 43 0.746 -1.038 3.487 145 H ALA 44 HN ALA 44 0.591 0.206 0.952 146 HA ALA 44 HA ALA 44 -1.820 1.684 1.291 147 HB1 ALA 44 HB1 ALA 44 0.255 2.725 0.515 148 HB2 ALA 44 HB2 ALA 44 -1.066 2.984 -0.624 149 HB3 ALA 44 HB3 ALA 44 0.174 1.778 -0.970 150 H THR 45 HN THR 45 -0.866 -0.984 -0.722 151 HA THR 45 HA THR 45 -3.062 -0.695 -2.568 152 HB THR 45 HB THR 45 -2.338 -2.953 -3.386 153 HG1 THR 45 HG1 THR 45 0.063 -3.036 -2.238 154 HG21 THR 45 HG21 THR 45 -1.459 -0.946 -4.424 155 HG22 THR 45 HG22 THR 45 -0.186 -2.163 -4.316 156 HG23 THR 45 HG23 THR 45 -0.216 -0.814 -3.181 157 H THR 46 HN THR 46 -2.331 -2.615 0.291 158 HA THR 46 HA THR 46 -4.561 -4.358 0.087 159 HB THR 46 HB THR 46 -2.992 -3.558 2.549 160 HG1 THR 46 HG1 THR 46 -2.360 -5.976 1.831 161 HG21 THR 46 HG21 THR 46 -3.840 -5.654 3.507 162 HG22 THR 46 HG22 THR 46 -4.819 -5.917 2.063 163 HG23 THR 46 HG23 THR 46 -5.156 -4.546 3.121 164 H LEU 47 HN LEU 47 -4.060 -1.210 1.558 165 HA LEU 47 HA LEU 47 -6.585 -1.186 2.926 166 HB2 LEU 47 HB2 LEU 47 -4.579 0.071 3.692 167 HB3 LEU 47 HB1 LEU 47 -4.734 1.112 2.291 168 HG LEU 47 HG LEU 47 -7.076 0.880 4.119 169 HD11 LEU 47 HD11 LEU 47 -6.166 2.640 5.559 170 HD12 LEU 47 HD12 LEU 47 -4.620 2.524 4.719 171 HD13 LEU 47 HD13 LEU 47 -5.216 1.158 5.662 172 HD21 LEU 47 HD21 LEU 47 -7.229 2.194 2.065 173 HD22 LEU 47 HD22 LEU 47 -5.848 3.163 2.575 174 HD23 LEU 47 HD23 LEU 47 -7.354 3.224 3.490 175 H PHE 48 HN PHE 48 -5.323 0.066 -0.112 176 HA PHE 48 HA PHE 48 -7.514 1.693 -0.801 177 HB2 PHE 48 HB2 PHE 48 -5.298 1.793 -1.910 178 HB3 PHE 48 HB1 PHE 48 -5.622 0.231 -2.655 179 HD1 PHE 48 HD1 PHE 48 -6.718 3.754 -2.515 180 HD2 PHE 48 HD2 PHE 48 -6.913 0.058 -4.614 181 HE1 PHE 48 HE1 PHE 48 -7.819 4.888 -4.401 182 HE2 PHE 48 HE2 PHE 48 -8.013 1.184 -6.505 183 HZ PHE 48 HZ PHE 48 -8.461 3.606 -6.401 184 H CYS 49 HN CYS 49 -6.730 -1.646 -1.763 185 HA CYS 49 HA CYS 49 -9.144 -2.044 -3.201 186 HB2 CYS 49 HB2 CYS 49 -7.146 -3.383 -3.644 187 HB3 CYS 49 HB1 CYS 49 -7.224 -4.064 -2.023 188 HG CYS 49 HG CYS 49 -10.063 -4.865 -2.961 189 H LEU 50 HN LEU 50 -8.312 -2.214 0.137 190 HA LEU 50 HA LEU 50 -10.213 -4.026 1.092 191 HB2 LEU 50 HB2 LEU 50 -8.269 -2.538 2.232 192 HB3 LEU 50 HB1 LEU 50 -9.678 -1.632 2.742 193 HG LEU 50 HG LEU 50 -10.609 -3.749 3.706 194 HD11 LEU 50 HD11 LEU 50 -9.060 -5.606 4.090 195 HD12 LEU 50 HD12 LEU 50 -7.846 -4.793 3.103 196 HD13 LEU 50 HD13 LEU 50 -9.352 -5.344 2.371 197 HD21 LEU 50 HD21 LEU 50 -7.932 -2.858 4.771 198 HD22 LEU 50 HD22 LEU 50 -9.177 -3.716 5.679 199 HD23 LEU 50 HD23 LEU 50 -9.482 -2.081 5.093 200 H LEU 51 HN LEU 51 -10.442 -0.464 1.078 201 HA LEU 51 HA LEU 51 -13.195 -0.422 1.734 202 HB2 LEU 51 HB2 LEU 51 -11.486 1.701 0.435 203 HB3 LEU 51 HB1 LEU 51 -13.084 1.964 1.107 204 HG LEU 51 HG LEU 51 -10.701 1.048 2.718 205 HD11 LEU 51 HD11 LEU 51 -11.909 3.797 2.441 206 HD12 LEU 51 HD12 LEU 51 -10.319 3.290 1.868 207 HD13 LEU 51 HD13 LEU 51 -10.660 3.337 3.598 208 HD21 LEU 51 HD21 LEU 51 -12.088 1.609 4.638 209 HD22 LEU 51 HD22 LEU 51 -12.877 0.390 3.636 210 HD23 LEU 51 HD23 LEU 51 -13.410 2.069 3.565 211 H HIS 52 HN HIS 52 -11.470 -0.708 -1.261 212 HA HIS 52 HA HIS 52 -13.665 0.049 -2.945 213 HB2 HIS 52 HB2 HIS 52 -11.297 0.252 -3.653 214 HB3 HIS 52 HB1 HIS 52 -11.163 -1.503 -3.642 215 HD1 HIS 52 HD1 HIS 52 -11.638 -2.622 -5.802 216 HD2 HIS 52 HD2 HIS 52 -13.332 1.167 -5.609 217 HE1 HIS 52 HE1 HIS 52 -12.628 -2.213 -8.077 218 HE2 HIS 52 HE2 HIS 52 -13.577 0.119 -7.961 219 H PHE 53 HN PHE 53 -12.751 -2.789 -1.274 220 HA PHE 53 HA PHE 53 -13.833 -4.777 -2.932 221 HB2 PHE 53 HB2 PHE 53 -12.378 -5.234 -0.983 222 HB3 PHE 53 HB1 PHE 53 -13.684 -4.746 0.092 223 HD1 PHE 53 HD1 PHE 53 -12.616 -7.280 -2.364 224 HD2 PHE 53 HD2 PHE 53 -15.448 -6.225 0.634 225 HE1 PHE 53 HE1 PHE 53 -13.472 -9.586 -2.365 226 HE2 PHE 53 HE2 PHE 53 -16.308 -8.529 0.639 227 HZ PHE 53 HZ PHE 53 -15.316 -10.216 -0.868 228 H GLY 54 HN GLY 54 -15.328 -2.424 -0.890 229 HA2 GLY 54 HA2 GLY 54 -17.673 -1.923 -1.424 230 HA3 GLY 54 HA1 GLY 54 -17.953 -3.658 -1.458 231 H VAL 55 HN VAL 55 -15.901 -2.265 0.970 232 HA VAL 55 HA VAL 55 -17.417 -3.357 3.089 233 HB VAL 55 HB VAL 55 -15.294 -1.216 3.251 234 HG11 VAL 55 HG11 VAL 55 -16.620 -1.430 5.292 235 HG12 VAL 55 HG12 VAL 55 -14.973 -2.009 5.538 236 HG13 VAL 55 HG13 VAL 55 -16.291 -3.162 5.329 237 HG21 VAL 55 HG21 VAL 55 -14.474 -3.183 2.066 238 HG22 VAL 55 HG22 VAL 55 -15.019 -4.218 3.385 239 HG23 VAL 55 HG23 VAL 55 -13.726 -3.050 3.658 240 H ILE 56 HN ILE 56 -17.396 -0.253 1.531 241 HA ILE 56 HA ILE 56 -19.522 0.635 3.361 242 HB ILE 56 HB ILE 56 -18.778 2.982 2.881 243 HG12 ILE 56 HG12 ILE 56 -16.263 1.610 1.907 244 HG13 ILE 56 HG11 ILE 56 -17.434 2.406 0.862 245 HG21 ILE 56 HG21 ILE 56 -16.964 2.938 4.525 246 HG22 ILE 56 HG22 ILE 56 -16.822 1.193 4.318 247 HG23 ILE 56 HG23 ILE 56 -18.295 1.884 4.999 248 HD11 ILE 56 HD11 ILE 56 -16.972 4.532 1.971 249 HD12 ILE 56 HD12 ILE 56 -15.514 3.827 1.273 250 HD13 ILE 56 HD13 ILE 56 -15.795 3.731 3.011 251 H GLY 57 HN GLY 57 -18.480 0.152 0.158 252 HA2 GLY 57 HA2 GLY 57 -19.696 0.169 -1.808 253 HA3 GLY 57 HA1 GLY 57 -21.098 0.677 -0.879 254 HA PRO 58 HA PRO 58 -19.819 4.347 -3.354 255 HB2 PRO 58 HB2 PRO 58 -22.215 4.955 -4.377 256 HB3 PRO 58 HB1 PRO 58 -21.232 3.653 -5.058 257 HG2 PRO 58 HG2 PRO 58 -23.568 3.485 -3.195 258 HG3 PRO 58 HG1 PRO 58 -23.193 2.486 -4.610 259 HD2 PRO 58 HD2 PRO 58 -22.672 1.743 -2.016 260 HD3 PRO 58 HD1 PRO 58 -21.783 1.130 -3.423 261 H GLN 59 HN GLN 59 -21.212 3.854 -0.514 262 HA GLN 59 HA GLN 59 -22.146 6.629 -0.194 263 HB2 GLN 59 HB2 GLN 59 -22.830 4.201 1.470 264 HB3 GLN 59 HB1 GLN 59 -23.433 5.830 1.740 265 HG2 GLN 59 HG2 GLN 59 -24.563 5.775 -0.419 266 HG3 GLN 59 HG1 GLN 59 -23.951 4.146 -0.700 267 HE21 GLN 59 HE21 GLN 59 -26.175 6.103 1.112 268 HE22 GLN 59 HE22 GLN 59 -27.138 4.805 1.723 269 H ARG 60 HN ARG 60 -20.726 7.902 0.785 270 HA ARG 60 HA ARG 60 -18.696 6.732 2.529 271 HB2 ARG 60 HB2 ARG 60 -18.991 9.497 1.347 272 HB3 ARG 60 HB1 ARG 60 -17.696 9.035 2.442 273 HG2 ARG 60 HG2 ARG 60 -16.984 7.314 0.825 274 HG3 ARG 60 HG1 ARG 60 -18.238 7.875 -0.283 275 HD2 ARG 60 HD2 ARG 60 -17.204 10.054 -0.410 276 HD3 ARG 60 HD1 ARG 60 -16.011 9.594 0.803 277 HE ARG 60 HE ARG 60 -15.956 7.853 -1.451 278 HH11 ARG 60 HH11 ARG 60 -14.935 10.983 -0.312 279 HH12 ARG 60 HH12 ARG 60 -13.576 11.072 -1.382 280 HH21 ARG 60 HH21 ARG 60 -14.165 7.961 -2.860 281 HH22 ARG 60 HH22 ARG 60 -13.138 9.354 -2.827 Start of MODEL 12 1 H1 ARG 28 HT1 ARG 28 10.213 9.897 7.659 2 H2 ARG 28 HT2 ARG 28 11.655 9.350 6.964 3 H3 ARG 28 HT3 ARG 28 10.759 10.567 6.204 4 HA ARG 28 HA ARG 28 11.179 12.082 8.002 5 HB2 ARG 28 HB2 ARG 28 12.879 9.857 9.146 6 HB3 ARG 28 HB1 ARG 28 12.682 11.467 9.823 7 HG2 ARG 28 HG2 ARG 28 10.276 10.989 10.149 8 HG3 ARG 28 HG1 ARG 28 10.561 9.344 9.579 9 HD2 ARG 28 HD2 ARG 28 12.172 9.011 11.410 10 HD3 ARG 28 HD1 ARG 28 11.829 10.641 11.991 11 HE ARG 28 HE ARG 28 9.531 8.896 11.763 12 HH11 ARG 28 HH11 ARG 28 12.053 10.151 13.818 13 HH12 ARG 28 HH12 ARG 28 11.218 9.773 15.288 14 HH21 ARG 28 HH21 ARG 28 8.429 8.397 13.695 15 HH22 ARG 28 HH22 ARG 28 9.161 8.776 15.217 16 H ARG 29 HN ARG 29 13.437 9.730 6.633 17 HA ARG 29 HA ARG 29 14.982 11.947 5.506 18 HB2 ARG 29 HB2 ARG 29 17.100 10.747 6.084 19 HB3 ARG 29 HB1 ARG 29 16.233 11.380 7.476 20 HG2 ARG 29 HG2 ARG 29 15.300 9.133 7.879 21 HG3 ARG 29 HG1 ARG 29 16.261 8.522 6.532 22 HD2 ARG 29 HD2 ARG 29 17.349 9.826 9.026 23 HD3 ARG 29 HD1 ARG 29 17.338 8.094 8.693 24 HE ARG 29 HE ARG 29 18.644 9.388 6.585 25 HH11 ARG 29 HH11 ARG 29 19.094 8.741 9.981 26 HH12 ARG 29 HH12 ARG 29 20.823 8.748 9.883 27 HH21 ARG 29 HH21 ARG 29 20.918 9.396 6.450 28 HH22 ARG 29 HH22 ARG 29 21.860 9.122 7.878 29 H CYS 30 HN CYS 30 16.381 11.274 3.718 30 HA CYS 30 HA CYS 30 15.131 9.097 2.216 31 HB2 CYS 30 HB2 CYS 30 15.230 11.282 1.120 32 HB3 CYS 30 HB1 CYS 30 16.981 11.308 1.299 33 HG CYS 30 HG CYS 30 16.214 8.545 -0.244 34 H LEU 31 HN LEU 31 16.127 7.296 3.100 35 HA LEU 31 HA LEU 31 18.822 6.806 2.130 36 HB2 LEU 31 HB2 LEU 31 19.117 7.714 4.418 37 HB3 LEU 31 HB1 LEU 31 18.103 6.426 5.040 38 HG LEU 31 HG LEU 31 19.782 4.778 4.183 39 HD11 LEU 31 HD11 LEU 31 21.443 7.254 3.731 40 HD12 LEU 31 HD12 LEU 31 20.807 6.190 2.476 41 HD13 LEU 31 HD13 LEU 31 22.011 5.589 3.616 42 HD21 LEU 31 HD21 LEU 31 21.403 5.191 5.974 43 HD22 LEU 31 HD22 LEU 31 19.745 5.434 6.523 44 HD23 LEU 31 HD23 LEU 31 20.769 6.826 6.166 45 H PHE 32 HN PHE 32 18.587 4.999 0.991 46 HA PHE 32 HA PHE 32 17.932 2.926 0.320 47 HB2 PHE 32 HB2 PHE 32 18.861 2.639 2.868 48 HB3 PHE 32 HB1 PHE 32 17.238 1.975 3.027 49 HD1 PHE 32 HD1 PHE 32 16.714 -0.162 2.193 50 HD2 PHE 32 HD2 PHE 32 20.417 1.668 1.168 51 HE1 PHE 32 HE1 PHE 32 17.496 -2.290 1.234 52 HE2 PHE 32 HE2 PHE 32 21.205 -0.456 0.206 53 HZ PHE 32 HZ PHE 32 19.744 -2.437 0.239 54 H LEU 33 HN LEU 33 15.977 4.992 0.457 55 HA LEU 33 HA LEU 33 13.536 4.196 1.571 56 HB2 LEU 33 HB2 LEU 33 13.954 6.470 0.853 57 HB3 LEU 33 HB1 LEU 33 14.098 5.949 -0.814 58 HG LEU 33 HG LEU 33 11.704 5.250 -0.753 59 HD11 LEU 33 HD11 LEU 33 11.492 4.920 1.653 60 HD12 LEU 33 HD12 LEU 33 10.292 6.070 1.061 61 HD13 LEU 33 HD13 LEU 33 11.722 6.648 1.919 62 HD21 LEU 33 HD21 LEU 33 10.806 7.515 -0.887 63 HD22 LEU 33 HD22 LEU 33 12.379 7.408 -1.680 64 HD23 LEU 33 HD23 LEU 33 12.244 8.141 -0.081 65 HA PRO 34 HA PRO 34 12.624 2.525 -3.071 66 HB2 PRO 34 HB2 PRO 34 14.903 0.933 -3.634 67 HB3 PRO 34 HB1 PRO 34 14.354 2.367 -4.505 68 HG2 PRO 34 HG2 PRO 34 16.438 2.105 -2.408 69 HG3 PRO 34 HG1 PRO 34 16.340 3.240 -3.766 70 HD2 PRO 34 HD2 PRO 34 15.862 4.032 -1.262 71 HD3 PRO 34 HD1 PRO 34 14.918 4.677 -2.620 72 H LEU 35 HN LEU 35 14.283 1.124 -0.346 73 HA LEU 35 HA LEU 35 13.205 -1.525 -0.860 74 HB2 LEU 35 HB2 LEU 35 15.508 -0.933 0.199 75 HB3 LEU 35 HB1 LEU 35 14.583 -0.701 1.669 76 HG LEU 35 HG LEU 35 15.622 -2.928 1.556 77 HD11 LEU 35 HD11 LEU 35 13.547 -2.595 2.820 78 HD12 LEU 35 HD12 LEU 35 13.660 -4.222 2.149 79 HD13 LEU 35 HD13 LEU 35 12.614 -3.023 1.387 80 HD21 LEU 35 HD21 LEU 35 15.566 -3.223 -0.868 81 HD22 LEU 35 HD22 LEU 35 13.808 -3.356 -0.815 82 HD23 LEU 35 HD23 LEU 35 14.809 -4.583 -0.038 83 H PHE 36 HN PHE 36 13.060 0.757 1.890 84 HA PHE 36 HA PHE 36 10.999 -0.485 3.269 85 HB2 PHE 36 HB2 PHE 36 11.831 2.409 3.126 86 HB3 PHE 36 HB1 PHE 36 10.545 1.855 4.192 87 HD1 PHE 36 HD1 PHE 36 14.143 1.697 3.489 88 HD2 PHE 36 HD2 PHE 36 11.028 0.622 6.181 89 HE1 PHE 36 HE1 PHE 36 15.821 1.100 5.186 90 HE2 PHE 36 HE2 PHE 36 12.700 0.022 7.883 91 HZ PHE 36 HZ PHE 36 15.093 0.257 7.393 92 H SER 37 HN SER 37 10.903 1.481 0.430 93 HA SER 37 HA SER 37 8.187 2.254 0.522 94 HB2 SER 37 HB2 SER 37 8.460 2.796 -1.839 95 HB3 SER 37 HB1 SER 37 9.883 3.317 -0.938 96 HG SER 37 HG SER 37 10.300 2.160 -2.949 97 H PHE 38 HN PHE 38 9.835 -0.627 -0.570 98 HA PHE 38 HA PHE 38 7.840 -1.786 -2.126 99 HB2 PHE 38 HB2 PHE 38 10.070 -2.902 -0.477 100 HB3 PHE 38 HB1 PHE 38 8.920 -3.992 -1.241 101 HD1 PHE 38 HD1 PHE 38 8.427 -2.852 -3.817 102 HD2 PHE 38 HD2 PHE 38 12.066 -2.991 -1.614 103 HE1 PHE 38 HE1 PHE 38 9.700 -2.714 -5.918 104 HE2 PHE 38 HE2 PHE 38 13.345 -2.854 -3.712 105 HZ PHE 38 HZ PHE 38 12.176 -2.721 -5.859 106 H LEU 39 HN LEU 39 8.344 -1.869 1.367 107 HA LEU 39 HA LEU 39 6.111 -3.604 1.850 108 HB2 LEU 39 HB2 LEU 39 7.952 -1.997 3.591 109 HB3 LEU 39 HB1 LEU 39 6.507 -2.723 4.268 110 HG LEU 39 HG LEU 39 7.322 -4.951 3.495 111 HD11 LEU 39 HD11 LEU 39 8.775 -4.223 1.690 112 HD12 LEU 39 HD12 LEU 39 9.679 -5.174 2.868 113 HD13 LEU 39 HD13 LEU 39 9.835 -3.417 2.846 114 HD21 LEU 39 HD21 LEU 39 9.158 -3.418 5.331 115 HD22 LEU 39 HD22 LEU 39 9.039 -5.174 5.230 116 HD23 LEU 39 HD23 LEU 39 7.660 -4.227 5.791 117 H ILE 40 HN ILE 40 6.626 -0.193 1.562 118 HA ILE 40 HA ILE 40 4.230 0.638 2.879 119 HB ILE 40 HB ILE 40 6.039 2.076 0.932 120 HG12 ILE 40 HG12 ILE 40 5.691 2.402 3.920 121 HG13 ILE 40 HG11 ILE 40 6.981 1.472 3.166 122 HG21 ILE 40 HG21 ILE 40 3.828 3.041 0.772 123 HG22 ILE 40 HG22 ILE 40 4.889 4.139 1.655 124 HG23 ILE 40 HG23 ILE 40 3.718 3.152 2.529 125 HD11 ILE 40 HD11 ILE 40 7.830 3.484 2.105 126 HD12 ILE 40 HD12 ILE 40 7.733 3.683 3.854 127 HD13 ILE 40 HD13 ILE 40 6.517 4.424 2.814 128 H VAL 41 HN VAL 41 5.095 -0.283 -0.381 129 HA VAL 41 HA VAL 41 2.609 0.623 -1.536 130 HB VAL 41 HB VAL 41 4.803 -1.111 -2.687 131 HG11 VAL 41 HG11 VAL 41 2.424 0.158 -4.043 132 HG12 VAL 41 HG12 VAL 41 2.695 -1.568 -3.802 133 HG13 VAL 41 HG13 VAL 41 3.759 -0.648 -4.866 134 HG21 VAL 41 HG21 VAL 41 5.453 1.216 -2.149 135 HG22 VAL 41 HG22 VAL 41 4.158 1.790 -3.200 136 HG23 VAL 41 HG23 VAL 41 5.500 0.867 -3.877 137 H ALA 42 HN ALA 42 4.122 -2.531 -0.881 138 HA ALA 42 HA ALA 42 2.048 -4.170 -1.731 139 HB1 ALA 42 HB1 ALA 42 3.955 -4.675 0.551 140 HB2 ALA 42 HB2 ALA 42 4.289 -4.982 -1.153 141 HB3 ALA 42 HB3 ALA 42 3.029 -5.895 -0.323 142 H GLY 43 HN GLY 43 2.464 -2.437 1.296 143 HA2 GLY 43 HA2 GLY 43 0.197 -3.725 2.549 144 HA3 GLY 43 HA1 GLY 43 1.153 -2.409 3.216 145 H ALA 44 HN ALA 44 0.835 -0.745 0.822 146 HA ALA 44 HA ALA 44 -1.592 0.553 1.578 147 HB1 ALA 44 HB1 ALA 44 0.381 1.808 0.855 148 HB2 ALA 44 HB2 ALA 44 -1.027 2.186 -0.138 149 HB3 ALA 44 HB3 ALA 44 0.228 1.115 -0.761 150 H THR 45 HN THR 45 -0.747 -1.789 -0.817 151 HA THR 45 HA THR 45 -2.882 -1.265 -2.629 152 HB THR 45 HB THR 45 -2.420 -3.607 -3.451 153 HG1 THR 45 HG1 THR 45 -1.269 -3.856 -1.114 154 HG21 THR 45 HG21 THR 45 -1.326 -1.705 -4.478 155 HG22 THR 45 HG22 THR 45 -0.185 -3.045 -4.354 156 HG23 THR 45 HG23 THR 45 -0.092 -1.698 -3.219 157 H THR 46 HN THR 46 -2.508 -3.282 0.222 158 HA THR 46 HA THR 46 -4.946 -4.721 -0.092 159 HB THR 46 HB THR 46 -3.379 -4.202 2.444 160 HG1 THR 46 HG1 THR 46 -3.244 -6.321 0.541 161 HG21 THR 46 HG21 THR 46 -4.484 -6.236 3.267 162 HG22 THR 46 HG22 THR 46 -5.418 -6.327 1.773 163 HG23 THR 46 HG23 THR 46 -5.656 -4.974 2.880 164 H LEU 47 HN LEU 47 -4.021 -1.747 1.547 165 HA LEU 47 HA LEU 47 -6.508 -1.370 2.884 166 HB2 LEU 47 HB2 LEU 47 -4.428 -0.332 3.659 167 HB3 LEU 47 HB1 LEU 47 -4.343 0.615 2.187 168 HG LEU 47 HG LEU 47 -6.521 1.686 2.857 169 HD11 LEU 47 HD11 LEU 47 -7.190 1.535 5.194 170 HD12 LEU 47 HD12 LEU 47 -5.931 0.335 5.486 171 HD13 LEU 47 HD13 LEU 47 -7.276 -0.042 4.410 172 HD21 LEU 47 HD21 LEU 47 -4.172 2.022 4.717 173 HD22 LEU 47 HD22 LEU 47 -5.481 3.182 4.489 174 HD23 LEU 47 HD23 LEU 47 -4.387 2.814 3.156 175 H PHE 48 HN PHE 48 -5.100 -0.070 -0.103 176 HA PHE 48 HA PHE 48 -7.176 1.681 -0.771 177 HB2 PHE 48 HB2 PHE 48 -4.926 1.614 -1.859 178 HB3 PHE 48 HB1 PHE 48 -5.421 0.148 -2.701 179 HD1 PHE 48 HD1 PHE 48 -5.976 3.767 -2.392 180 HD2 PHE 48 HD2 PHE 48 -6.885 0.231 -4.578 181 HE1 PHE 48 HE1 PHE 48 -6.951 5.134 -4.189 182 HE2 PHE 48 HE2 PHE 48 -7.862 1.592 -6.381 183 HZ PHE 48 HZ PHE 48 -7.896 4.050 -6.185 184 H CYS 49 HN CYS 49 -6.696 -1.739 -1.568 185 HA CYS 49 HA CYS 49 -9.075 -1.932 -3.140 186 HB2 CYS 49 HB2 CYS 49 -7.188 -3.455 -3.495 187 HB3 CYS 49 HB1 CYS 49 -7.386 -4.097 -1.867 188 HG CYS 49 HG CYS 49 -10.017 -5.079 -2.465 189 H LEU 50 HN LEU 50 -8.345 -2.131 0.225 190 HA LEU 50 HA LEU 50 -10.487 -3.714 1.119 191 HB2 LEU 50 HB2 LEU 50 -8.373 -2.566 2.322 192 HB3 LEU 50 HB1 LEU 50 -9.619 -1.433 2.801 193 HG LEU 50 HG LEU 50 -10.919 -3.398 3.707 194 HD11 LEU 50 HD11 LEU 50 -9.817 -5.161 2.446 195 HD12 LEU 50 HD12 LEU 50 -9.653 -5.441 4.179 196 HD13 LEU 50 HD13 LEU 50 -8.290 -4.806 3.256 197 HD21 LEU 50 HD21 LEU 50 -8.207 -2.827 4.897 198 HD22 LEU 50 HD22 LEU 50 -9.571 -3.550 5.748 199 HD23 LEU 50 HD23 LEU 50 -9.679 -1.891 5.160 200 H LEU 51 HN LEU 51 -10.192 -0.158 1.023 201 HA LEU 51 HA LEU 51 -12.833 0.406 1.747 202 HB2 LEU 51 HB2 LEU 51 -10.727 1.931 0.259 203 HB3 LEU 51 HB1 LEU 51 -12.317 2.603 0.522 204 HG LEU 51 HG LEU 51 -10.692 3.383 2.159 205 HD11 LEU 51 HD11 LEU 51 -12.840 1.638 3.336 206 HD12 LEU 51 HD12 LEU 51 -13.049 3.292 2.760 207 HD13 LEU 51 HD13 LEU 51 -12.024 2.968 4.158 208 HD21 LEU 51 HD21 LEU 51 -10.578 0.520 3.034 209 HD22 LEU 51 HD22 LEU 51 -9.816 1.884 3.851 210 HD23 LEU 51 HD23 LEU 51 -9.285 1.411 2.237 211 H HIS 52 HN HIS 52 -11.426 -0.534 -1.271 212 HA HIS 52 HA HIS 52 -13.327 0.435 -3.072 213 HB2 HIS 52 HB2 HIS 52 -11.105 -0.607 -3.639 214 HB3 HIS 52 HB1 HIS 52 -11.836 -2.179 -3.336 215 HD1 HIS 52 HD1 HIS 52 -11.699 0.580 -5.820 216 HD2 HIS 52 HD2 HIS 52 -13.715 -3.013 -5.281 217 HE1 HIS 52 HE1 HIS 52 -12.761 0.067 -8.040 218 HE2 HIS 52 HE2 HIS 52 -13.910 -2.152 -7.714 219 H PHE 53 HN PHE 53 -13.507 -2.173 -0.804 220 HA PHE 53 HA PHE 53 -15.471 -3.770 -1.986 221 HB2 PHE 53 HB2 PHE 53 -14.577 -3.282 0.817 222 HB3 PHE 53 HB1 PHE 53 -16.091 -4.143 0.569 223 HD1 PHE 53 HD1 PHE 53 -12.495 -4.340 0.481 224 HD2 PHE 53 HD2 PHE 53 -16.090 -6.270 -0.727 225 HE1 PHE 53 HE1 PHE 53 -11.247 -6.429 0.117 226 HE2 PHE 53 HE2 PHE 53 -14.849 -8.362 -1.093 227 HZ PHE 53 HZ PHE 53 -12.424 -8.444 -0.670 228 H GLY 54 HN GLY 54 -15.689 -0.613 -0.666 229 HA2 GLY 54 HA2 GLY 54 -17.689 0.646 -1.343 230 HA3 GLY 54 HA1 GLY 54 -18.634 -0.757 -0.867 231 H VAL 55 HN VAL 55 -15.994 0.002 1.167 232 HA VAL 55 HA VAL 55 -17.608 0.385 3.436 233 HB VAL 55 HB VAL 55 -14.731 1.244 3.104 234 HG11 VAL 55 HG11 VAL 55 -15.783 2.131 5.108 235 HG12 VAL 55 HG12 VAL 55 -14.602 0.890 5.527 236 HG13 VAL 55 HG13 VAL 55 -16.325 0.514 5.559 237 HG21 VAL 55 HG21 VAL 55 -14.984 -1.077 2.435 238 HG22 VAL 55 HG22 VAL 55 -15.858 -1.432 3.925 239 HG23 VAL 55 HG23 VAL 55 -14.155 -0.977 3.989 240 H ILE 56 HN ILE 56 -16.312 2.599 1.098 241 HA ILE 56 HA ILE 56 -17.480 4.839 2.605 242 HB ILE 56 HB ILE 56 -15.842 6.295 1.366 243 HG12 ILE 56 HG12 ILE 56 -14.583 3.614 0.721 244 HG13 ILE 56 HG11 ILE 56 -15.283 4.726 -0.450 245 HG21 ILE 56 HG21 ILE 56 -14.004 5.810 2.875 246 HG22 ILE 56 HG22 ILE 56 -14.666 4.206 3.190 247 HG23 ILE 56 HG23 ILE 56 -15.549 5.642 3.706 248 HD11 ILE 56 HD11 ILE 56 -12.899 4.910 -0.513 249 HD12 ILE 56 HD12 ILE 56 -12.829 5.176 1.229 250 HD13 ILE 56 HD13 ILE 56 -13.562 6.389 0.182 251 H GLY 57 HN GLY 57 -16.570 6.145 -0.231 252 HA2 GLY 57 HA2 GLY 57 -18.519 5.139 -2.035 253 HA3 GLY 57 HA1 GLY 57 -19.111 6.575 -1.217 254 HA PRO 58 HA PRO 58 -16.899 8.963 -4.189 255 HB2 PRO 58 HB2 PRO 58 -16.604 11.309 -2.931 256 HB3 PRO 58 HB1 PRO 58 -18.202 10.696 -3.376 257 HG2 PRO 58 HG2 PRO 58 -16.831 10.661 -0.718 258 HG3 PRO 58 HG1 PRO 58 -18.529 10.996 -1.099 259 HD2 PRO 58 HD2 PRO 58 -17.578 8.568 -0.189 260 HD3 PRO 58 HD1 PRO 58 -19.081 8.780 -1.105 261 H GLN 59 HN GLN 59 -15.395 8.060 -1.282 262 HA GLN 59 HA GLN 59 -13.231 7.875 -0.619 263 HB2 GLN 59 HB2 GLN 59 -12.932 6.804 -2.801 264 HB3 GLN 59 HB1 GLN 59 -12.657 8.373 -3.546 265 HG2 GLN 59 HG2 GLN 59 -10.564 7.221 -3.206 266 HG3 GLN 59 HG1 GLN 59 -10.641 8.660 -2.192 267 HE21 GLN 59 HE21 GLN 59 -10.824 8.435 0.035 268 HE22 GLN 59 HE22 GLN 59 -10.498 6.940 0.839 269 H ARG 60 HN ARG 60 -12.517 10.203 -3.187 270 HA ARG 60 HA ARG 60 -12.061 12.260 -1.142 271 HB2 ARG 60 HB2 ARG 60 -10.006 12.932 -2.500 272 HB3 ARG 60 HB1 ARG 60 -9.871 11.483 -1.513 273 HG2 ARG 60 HG2 ARG 60 -10.280 10.107 -3.508 274 HG3 ARG 60 HG1 ARG 60 -10.353 11.575 -4.485 275 HD2 ARG 60 HD2 ARG 60 -8.048 12.113 -3.800 276 HD3 ARG 60 HD1 ARG 60 -7.984 10.603 -2.889 277 HE ARG 60 HE ARG 60 -8.606 10.384 -5.720 278 HH11 ARG 60 HH11 ARG 60 -6.199 10.201 -3.206 279 HH12 ARG 60 HH12 ARG 60 -5.097 9.260 -4.154 280 HH21 ARG 60 HH21 ARG 60 -7.163 9.145 -6.972 281 HH22 ARG 60 HH22 ARG 60 -5.644 8.660 -6.294 Start of MODEL 13 1 H1 ARG 28 HT1 ARG 28 16.330 -4.898 13.798 2 H2 ARG 28 HT2 ARG 28 14.946 -4.629 12.866 3 H3 ARG 28 HT3 ARG 28 15.782 -3.319 13.534 4 HA ARG 28 HA ARG 28 17.700 -3.797 12.166 5 HB2 ARG 28 HB2 ARG 28 15.916 -5.963 11.037 6 HB3 ARG 28 HB1 ARG 28 17.446 -5.461 10.333 7 HG2 ARG 28 HG2 ARG 28 18.605 -6.152 12.378 8 HG3 ARG 28 HG1 ARG 28 17.066 -6.677 13.062 9 HD2 ARG 28 HD2 ARG 28 16.808 -8.302 11.264 10 HD3 ARG 28 HD1 ARG 28 18.319 -7.756 10.538 11 HE ARG 28 HE ARG 28 18.908 -8.508 13.139 12 HH11 ARG 28 HH11 ARG 28 17.693 -10.006 10.235 13 HH12 ARG 28 HH12 ARG 28 18.358 -11.561 10.607 14 HH21 ARG 28 HH21 ARG 28 19.782 -10.555 13.636 15 HH22 ARG 28 HH22 ARG 28 19.544 -11.873 12.538 16 H ARG 29 HN ARG 29 17.669 -1.978 11.046 17 HA ARG 29 HA ARG 29 15.293 -1.329 9.444 18 HB2 ARG 29 HB2 ARG 29 16.009 0.298 11.195 19 HB3 ARG 29 HB1 ARG 29 17.528 0.502 10.334 20 HG2 ARG 29 HG2 ARG 29 16.079 2.326 9.794 21 HG3 ARG 29 HG1 ARG 29 16.254 1.303 8.367 22 HD2 ARG 29 HD2 ARG 29 14.102 0.292 8.772 23 HD3 ARG 29 HD1 ARG 29 13.941 1.165 10.297 24 HE ARG 29 HE ARG 29 14.258 2.830 7.954 25 HH11 ARG 29 HH11 ARG 29 12.036 1.246 10.119 26 HH12 ARG 29 HH12 ARG 29 10.714 2.296 9.737 27 HH21 ARG 29 HH21 ARG 29 12.523 4.220 7.448 28 HH22 ARG 29 HH22 ARG 29 10.990 3.988 8.220 29 H CYS 30 HN CYS 30 15.415 -1.055 7.278 30 HA CYS 30 HA CYS 30 17.970 -1.719 6.011 31 HB2 CYS 30 HB2 CYS 30 15.167 -1.654 4.876 32 HB3 CYS 30 HB1 CYS 30 16.608 -2.120 3.980 33 HG CYS 30 HG CYS 30 17.092 -4.431 5.367 34 H LEU 31 HN LEU 31 19.032 0.252 6.107 35 HA LEU 31 HA LEU 31 17.808 2.662 5.125 36 HB2 LEU 31 HB2 LEU 31 20.717 2.112 5.719 37 HB3 LEU 31 HB1 LEU 31 19.979 3.688 5.506 38 HG LEU 31 HG LEU 31 19.393 1.769 7.765 39 HD11 LEU 31 HD11 LEU 31 20.551 3.392 9.162 40 HD12 LEU 31 HD12 LEU 31 20.916 4.372 7.742 41 HD13 LEU 31 HD13 LEU 31 21.622 2.764 7.908 42 HD21 LEU 31 HD21 LEU 31 17.439 3.088 7.224 43 HD22 LEU 31 HD22 LEU 31 18.400 4.565 7.224 44 HD23 LEU 31 HD23 LEU 31 18.155 3.674 8.726 45 H PHE 32 HN PHE 32 19.393 0.004 3.731 46 HA PHE 32 HA PHE 32 19.508 1.407 1.162 47 HB2 PHE 32 HB2 PHE 32 21.801 1.378 2.120 48 HB3 PHE 32 HB1 PHE 32 21.726 -0.378 2.189 49 HD1 PHE 32 HD1 PHE 32 22.138 -1.700 0.278 50 HD2 PHE 32 HD2 PHE 32 21.788 2.525 -0.085 51 HE1 PHE 32 HE1 PHE 32 22.993 -1.830 -2.025 52 HE2 PHE 32 HE2 PHE 32 22.645 2.403 -2.387 53 HZ PHE 32 HZ PHE 32 23.251 0.228 -3.360 54 H LEU 33 HN LEU 33 17.592 0.274 0.633 55 HA LEU 33 HA LEU 33 18.007 -2.192 -0.654 56 HB2 LEU 33 HB2 LEU 33 17.855 -2.906 1.748 57 HB3 LEU 33 HB1 LEU 33 16.202 -2.336 1.729 58 HG LEU 33 HG LEU 33 15.803 -3.952 -0.190 59 HD11 LEU 33 HD11 LEU 33 17.328 -5.846 -0.337 60 HD12 LEU 33 HD12 LEU 33 18.410 -5.080 0.825 61 HD13 LEU 33 HD13 LEU 33 18.150 -4.343 -0.755 62 HD21 LEU 33 HD21 LEU 33 15.492 -5.831 1.340 63 HD22 LEU 33 HD22 LEU 33 14.980 -4.309 2.071 64 HD23 LEU 33 HD23 LEU 33 16.520 -5.031 2.530 65 HA PRO 34 HA PRO 34 14.694 0.021 -2.764 66 HB2 PRO 34 HB2 PRO 34 14.539 -1.829 -4.794 67 HB3 PRO 34 HB1 PRO 34 15.689 -0.487 -4.755 68 HG2 PRO 34 HG2 PRO 34 16.094 -3.352 -3.987 69 HG3 PRO 34 HG1 PRO 34 17.167 -2.269 -4.892 70 HD2 PRO 34 HD2 PRO 34 17.595 -2.790 -2.286 71 HD3 PRO 34 HD1 PRO 34 17.894 -1.177 -2.977 72 H LEU 35 HN LEU 35 14.766 -3.408 -1.994 73 HA LEU 35 HA LEU 35 12.110 -4.067 -2.566 74 HB2 LEU 35 HB2 LEU 35 14.011 -5.635 -2.073 75 HB3 LEU 35 HB1 LEU 35 13.813 -5.245 -0.377 76 HG LEU 35 HG LEU 35 11.375 -6.183 -1.760 77 HD11 LEU 35 HD11 LEU 35 13.687 -8.029 -1.182 78 HD12 LEU 35 HD12 LEU 35 13.030 -7.646 -2.772 79 HD13 LEU 35 HD13 LEU 35 12.052 -8.534 -1.603 80 HD21 LEU 35 HD21 LEU 35 12.689 -6.874 0.866 81 HD22 LEU 35 HD22 LEU 35 11.083 -7.385 0.345 82 HD23 LEU 35 HD23 LEU 35 11.416 -5.676 0.631 83 H PHE 36 HN PHE 36 13.434 -2.205 -0.003 84 HA PHE 36 HA PHE 36 11.554 -2.651 2.022 85 HB2 PHE 36 HB2 PHE 36 13.708 -1.388 2.257 86 HB3 PHE 36 HB1 PHE 36 12.945 -0.035 1.425 87 HD1 PHE 36 HD1 PHE 36 12.924 -2.072 4.488 88 HD2 PHE 36 HD2 PHE 36 11.401 1.393 2.542 89 HE1 PHE 36 HE1 PHE 36 12.028 -1.268 6.632 90 HE2 PHE 36 HE2 PHE 36 10.502 2.204 4.684 91 HZ PHE 36 HZ PHE 36 10.815 0.874 6.733 92 H SER 37 HN SER 37 11.285 -0.938 -0.966 93 HA SER 37 HA SER 37 9.026 0.655 -0.175 94 HB2 SER 37 HB2 SER 37 9.941 0.043 -2.978 95 HB3 SER 37 HB1 SER 37 8.937 1.390 -2.457 96 HG SER 37 HG SER 37 11.686 1.032 -2.255 97 H PHE 38 HN PHE 38 9.521 -2.535 -1.365 98 HA PHE 38 HA PHE 38 6.967 -2.936 -2.527 99 HB2 PHE 38 HB2 PHE 38 9.141 -4.742 -1.573 100 HB3 PHE 38 HB1 PHE 38 7.580 -5.421 -2.006 101 HD1 PHE 38 HD1 PHE 38 10.348 -3.323 -3.308 102 HD2 PHE 38 HD2 PHE 38 7.065 -5.869 -4.232 103 HE1 PHE 38 HE1 PHE 38 11.020 -3.324 -5.674 104 HE2 PHE 38 HE2 PHE 38 7.732 -5.874 -6.602 105 HZ PHE 38 HZ PHE 38 9.694 -4.591 -7.329 106 H LEU 39 HN LEU 39 8.203 -3.105 0.727 107 HA LEU 39 HA LEU 39 5.897 -4.436 1.809 108 HB2 LEU 39 HB2 LEU 39 8.262 -3.025 3.022 109 HB3 LEU 39 HB1 LEU 39 6.922 -3.567 4.013 110 HG LEU 39 HG LEU 39 7.324 -5.890 3.224 111 HD11 LEU 39 HD11 LEU 39 9.771 -4.674 1.949 112 HD12 LEU 39 HD12 LEU 39 8.404 -5.401 1.105 113 HD13 LEU 39 HD13 LEU 39 9.450 -6.399 2.115 114 HD21 LEU 39 HD21 LEU 39 9.702 -4.541 4.500 115 HD22 LEU 39 HD22 LEU 39 9.314 -6.260 4.577 116 HD23 LEU 39 HD23 LEU 39 8.248 -5.080 5.341 117 H ILE 40 HN ILE 40 6.873 -1.206 1.116 118 HA ILE 40 HA ILE 40 4.811 0.030 2.734 119 HB ILE 40 HB ILE 40 7.130 0.949 1.154 120 HG12 ILE 40 HG12 ILE 40 5.796 2.073 3.622 121 HG13 ILE 40 HG11 ILE 40 7.023 0.812 3.644 122 HG21 ILE 40 HG21 ILE 40 6.267 3.277 1.001 123 HG22 ILE 40 HG22 ILE 40 4.660 2.657 1.381 124 HG23 ILE 40 HG23 ILE 40 5.478 2.142 -0.094 125 HD11 ILE 40 HD11 ILE 40 7.388 3.621 2.635 126 HD12 ILE 40 HD12 ILE 40 8.619 2.360 2.630 127 HD13 ILE 40 HD13 ILE 40 7.986 2.970 4.159 128 H VAL 41 HN VAL 41 5.319 -0.999 -0.540 129 HA VAL 41 HA VAL 41 3.124 0.499 -1.634 130 HB VAL 41 HB VAL 41 5.252 -0.315 -2.858 131 HG11 VAL 41 HG11 VAL 41 3.484 -2.722 -3.126 132 HG12 VAL 41 HG12 VAL 41 5.037 -2.648 -2.301 133 HG13 VAL 41 HG13 VAL 41 4.958 -2.425 -4.047 134 HG21 VAL 41 HG21 VAL 41 2.492 -0.489 -4.058 135 HG22 VAL 41 HG22 VAL 41 3.984 -0.417 -4.996 136 HG23 VAL 41 HG23 VAL 41 3.525 0.938 -3.965 137 H ALA 42 HN ALA 42 3.700 -2.761 -0.502 138 HA ALA 42 HA ALA 42 1.278 -3.890 -1.441 139 HB1 ALA 42 HB1 ALA 42 3.209 -5.253 -0.812 140 HB2 ALA 42 HB2 ALA 42 1.765 -5.735 0.077 141 HB3 ALA 42 HB3 ALA 42 3.006 -4.767 0.871 142 H GLY 43 HN GLY 43 2.159 -2.150 1.473 143 HA2 GLY 43 HA2 GLY 43 -0.201 -2.787 2.942 144 HA3 GLY 43 HA1 GLY 43 0.925 -1.487 3.299 145 H ALA 44 HN ALA 44 0.751 0.008 0.973 146 HA ALA 44 HA ALA 44 -1.585 1.517 1.462 147 HB1 ALA 44 HB1 ALA 44 -0.884 2.871 -0.448 148 HB2 ALA 44 HB2 ALA 44 0.300 1.640 -0.888 149 HB3 ALA 44 HB3 ALA 44 0.472 2.526 0.627 150 H THR 45 HN THR 45 -0.814 -1.000 -0.839 151 HA THR 45 HA THR 45 -3.115 -0.545 -2.494 152 HB THR 45 HB THR 45 -2.525 -2.868 -3.391 153 HG1 THR 45 HG1 THR 45 -1.304 -3.691 -1.717 154 HG21 THR 45 HG21 THR 45 -0.585 -2.008 -4.631 155 HG22 THR 45 HG22 THR 45 -0.455 -0.672 -3.487 156 HG23 THR 45 HG23 THR 45 -1.875 -0.811 -4.524 157 H THR 46 HN THR 46 -2.362 -2.562 0.273 158 HA THR 46 HA THR 46 -4.610 -4.278 0.061 159 HB THR 46 HB THR 46 -2.990 -3.538 2.506 160 HG1 THR 46 HG1 THR 46 -1.614 -4.997 1.809 161 HG21 THR 46 HG21 THR 46 -4.950 -5.792 2.045 162 HG22 THR 46 HG22 THR 46 -5.138 -4.448 3.172 163 HG23 THR 46 HG23 THR 46 -3.880 -5.655 3.440 164 H LEU 47 HN LEU 47 -4.035 -1.227 1.752 165 HA LEU 47 HA LEU 47 -6.581 -1.217 3.062 166 HB2 LEU 47 HB2 LEU 47 -4.431 -0.043 3.799 167 HB3 LEU 47 HB1 LEU 47 -4.819 1.178 2.604 168 HG LEU 47 HG LEU 47 -6.777 0.444 4.764 169 HD11 LEU 47 HD11 LEU 47 -5.902 2.308 6.083 170 HD12 LEU 47 HD12 LEU 47 -4.589 2.513 4.925 171 HD13 LEU 47 HD13 LEU 47 -4.699 1.036 5.884 172 HD21 LEU 47 HD21 LEU 47 -7.695 1.733 2.962 173 HD22 LEU 47 HD22 LEU 47 -6.354 2.875 3.033 174 HD23 LEU 47 HD23 LEU 47 -7.510 2.787 4.363 175 H PHE 48 HN PHE 48 -5.214 0.563 0.293 176 HA PHE 48 HA PHE 48 -7.468 2.106 -0.290 177 HB2 PHE 48 HB2 PHE 48 -5.071 2.219 -1.271 178 HB3 PHE 48 HB1 PHE 48 -5.664 1.052 -2.449 179 HD1 PHE 48 HD1 PHE 48 -5.696 4.510 -1.378 180 HD2 PHE 48 HD2 PHE 48 -7.492 1.667 -3.986 181 HE1 PHE 48 HE1 PHE 48 -6.645 6.344 -2.719 182 HE2 PHE 48 HE2 PHE 48 -8.443 3.495 -5.330 183 HZ PHE 48 HZ PHE 48 -8.013 5.849 -4.684 184 H CYS 49 HN CYS 49 -6.558 -1.126 -1.411 185 HA CYS 49 HA CYS 49 -8.866 -1.401 -3.092 186 HB2 CYS 49 HB2 CYS 49 -6.861 -3.435 -2.093 187 HB3 CYS 49 HB1 CYS 49 -8.130 -3.787 -3.260 188 HG CYS 49 HG CYS 49 -7.125 -2.325 -5.303 189 H LEU 50 HN LEU 50 -8.163 -1.920 0.238 190 HA LEU 50 HA LEU 50 -9.994 -3.902 0.929 191 HB2 LEU 50 HB2 LEU 50 -8.213 -2.505 2.323 192 HB3 LEU 50 HB1 LEU 50 -9.632 -1.571 2.748 193 HG LEU 50 HG LEU 50 -10.698 -3.718 3.529 194 HD11 LEU 50 HD11 LEU 50 -7.882 -4.751 3.204 195 HD12 LEU 50 HD12 LEU 50 -9.300 -5.278 2.296 196 HD13 LEU 50 HD13 LEU 50 -9.199 -5.589 4.029 197 HD21 LEU 50 HD21 LEU 50 -9.774 -2.123 5.103 198 HD22 LEU 50 HD22 LEU 50 -8.164 -2.807 4.888 199 HD23 LEU 50 HD23 LEU 50 -9.437 -3.769 5.640 200 H LEU 51 HN LEU 51 -10.446 -0.372 0.841 201 HA LEU 51 HA LEU 51 -13.153 -0.378 1.605 202 HB2 LEU 51 HB2 LEU 51 -11.665 1.625 -0.095 203 HB3 LEU 51 HB1 LEU 51 -13.218 1.899 0.672 204 HG LEU 51 HG LEU 51 -10.649 1.354 2.164 205 HD11 LEU 51 HD11 LEU 51 -10.550 3.492 1.002 206 HD12 LEU 51 HD12 LEU 51 -10.714 3.730 2.741 207 HD13 LEU 51 HD13 LEU 51 -12.110 3.949 1.686 208 HD21 LEU 51 HD21 LEU 51 -12.593 0.651 3.414 209 HD22 LEU 51 HD22 LEU 51 -13.395 2.189 3.093 210 HD23 LEU 51 HD23 LEU 51 -11.954 2.140 4.109 211 H HIS 52 HN HIS 52 -11.584 -0.846 -1.480 212 HA HIS 52 HA HIS 52 -13.991 -0.560 -3.025 213 HB2 HIS 52 HB2 HIS 52 -11.645 -0.124 -3.875 214 HB3 HIS 52 HB1 HIS 52 -11.408 -1.868 -3.887 215 HD1 HIS 52 HD1 HIS 52 -11.979 -2.993 -6.018 216 HD2 HIS 52 HD2 HIS 52 -13.924 0.657 -5.620 217 HE1 HIS 52 HE1 HIS 52 -13.188 -2.634 -8.194 218 HE2 HIS 52 HE2 HIS 52 -14.418 -0.454 -7.903 219 H PHE 53 HN PHE 53 -12.605 -3.025 -1.144 220 HA PHE 53 HA PHE 53 -13.493 -5.315 -2.550 221 HB2 PHE 53 HB2 PHE 53 -11.780 -5.405 -0.782 222 HB3 PHE 53 HB1 PHE 53 -12.993 -4.963 0.413 223 HD1 PHE 53 HD1 PHE 53 -12.107 -7.579 -2.062 224 HD2 PHE 53 HD2 PHE 53 -14.273 -6.600 1.469 225 HE1 PHE 53 HE1 PHE 53 -12.642 -9.957 -1.737 226 HE2 PHE 53 HE2 PHE 53 -14.810 -8.978 1.803 227 HZ PHE 53 HZ PHE 53 -13.995 -10.659 0.211 228 H GLY 54 HN GLY 54 -15.131 -2.986 -0.630 229 HA2 GLY 54 HA2 GLY 54 -17.576 -2.956 -0.927 230 HA3 GLY 54 HA1 GLY 54 -17.543 -4.692 -0.661 231 H VAL 55 HN VAL 55 -15.487 -2.680 1.256 232 HA VAL 55 HA VAL 55 -16.689 -3.563 3.679 233 HB VAL 55 HB VAL 55 -14.665 -1.362 3.253 234 HG11 VAL 55 HG11 VAL 55 -14.120 -1.699 5.626 235 HG12 VAL 55 HG12 VAL 55 -15.454 -2.846 5.761 236 HG13 VAL 55 HG13 VAL 55 -15.780 -1.150 5.402 237 HG21 VAL 55 HG21 VAL 55 -12.998 -3.031 3.851 238 HG22 VAL 55 HG22 VAL 55 -13.909 -3.551 2.433 239 HG23 VAL 55 HG23 VAL 55 -14.256 -4.256 4.013 240 H ILE 56 HN ILE 56 -16.069 -0.213 2.784 241 HA ILE 56 HA ILE 56 -18.042 0.871 4.446 242 HB ILE 56 HB ILE 56 -17.769 2.945 3.052 243 HG12 ILE 56 HG12 ILE 56 -15.737 1.231 1.606 244 HG13 ILE 56 HG11 ILE 56 -17.262 1.787 0.924 245 HG21 ILE 56 HG21 ILE 56 -15.228 1.643 4.020 246 HG22 ILE 56 HG22 ILE 56 -16.403 2.475 5.037 247 HG23 ILE 56 HG23 ILE 56 -15.502 3.373 3.816 248 HD11 ILE 56 HD11 ILE 56 -15.492 3.171 0.114 249 HD12 ILE 56 HD12 ILE 56 -14.921 3.480 1.754 250 HD13 ILE 56 HD13 ILE 56 -16.480 4.118 1.225 251 H GLY 57 HN GLY 57 -18.269 -0.600 1.395 252 HA2 GLY 57 HA2 GLY 57 -20.128 -1.151 0.143 253 HA3 GLY 57 HA1 GLY 57 -21.118 -0.385 1.376 254 HA PRO 58 HA PRO 58 -21.546 2.383 -2.226 255 HB2 PRO 58 HB2 PRO 58 -24.066 3.174 -1.714 256 HB3 PRO 58 HB1 PRO 58 -23.707 1.612 -2.460 257 HG2 PRO 58 HG2 PRO 58 -24.384 2.243 0.385 258 HG3 PRO 58 HG1 PRO 58 -24.942 0.899 -0.629 259 HD2 PRO 58 HD2 PRO 58 -22.939 0.680 1.225 260 HD3 PRO 58 HD1 PRO 58 -23.068 -0.348 -0.215 261 H GLN 59 HN GLN 59 -20.526 3.003 0.625 262 HA GLN 59 HA GLN 59 -21.565 5.686 1.030 263 HB2 GLN 59 HB2 GLN 59 -19.501 4.062 2.521 264 HB3 GLN 59 HB1 GLN 59 -19.923 5.716 2.944 265 HG2 GLN 59 HG2 GLN 59 -22.295 4.924 3.207 266 HG3 GLN 59 HG1 GLN 59 -21.677 3.279 3.052 267 HE21 GLN 59 HE21 GLN 59 -20.384 2.427 4.685 268 HE22 GLN 59 HE22 GLN 59 -20.307 3.133 6.259 269 H ARG 60 HN ARG 60 -20.879 6.832 -0.760 270 HA ARG 60 HA ARG 60 -18.051 6.897 -1.422 271 HB2 ARG 60 HB2 ARG 60 -20.412 8.357 -2.622 272 HB3 ARG 60 HB1 ARG 60 -18.766 8.441 -3.233 273 HG2 ARG 60 HG2 ARG 60 -20.428 5.935 -3.065 274 HG3 ARG 60 HG1 ARG 60 -20.176 6.901 -4.519 275 HD2 ARG 60 HD2 ARG 60 -17.750 6.492 -4.332 276 HD3 ARG 60 HD1 ARG 60 -18.051 5.464 -2.930 277 HE ARG 60 HE ARG 60 -19.328 4.797 -5.480 278 HH11 ARG 60 HH11 ARG 60 -17.004 4.061 -2.989 279 HH12 ARG 60 HH12 ARG 60 -16.728 2.444 -3.547 280 HH21 ARG 60 HH21 ARG 60 -18.972 2.670 -6.217 281 HH22 ARG 60 HH22 ARG 60 -17.845 1.654 -5.381 Start of MODEL 14 1 H1 ARG 28 HT1 ARG 28 26.265 -8.494 0.819 2 H2 ARG 28 HT2 ARG 28 27.184 -9.718 0.104 3 H3 ARG 28 HT3 ARG 28 25.503 -9.708 -0.077 4 HA ARG 28 HA ARG 28 27.438 -7.772 -1.201 5 HB2 ARG 28 HB2 ARG 28 25.608 -9.840 -2.423 6 HB3 ARG 28 HB1 ARG 28 26.343 -8.551 -3.362 7 HG2 ARG 28 HG2 ARG 28 27.727 -10.405 -3.688 8 HG3 ARG 28 HG1 ARG 28 28.578 -9.408 -2.507 9 HD2 ARG 28 HD2 ARG 28 27.834 -10.824 -0.706 10 HD3 ARG 28 HD1 ARG 28 26.818 -11.755 -1.806 11 HE ARG 28 HE ARG 28 29.380 -11.948 -2.800 12 HH11 ARG 28 HH11 ARG 28 27.756 -12.750 0.178 13 HH12 ARG 28 HH12 ARG 28 28.792 -14.092 0.532 14 HH21 ARG 28 HH21 ARG 28 30.749 -13.713 -2.342 15 HH22 ARG 28 HH22 ARG 28 30.494 -14.639 -0.901 16 H ARG 29 HN ARG 29 24.067 -8.544 -0.549 17 HA ARG 29 HA ARG 29 23.204 -5.990 -1.676 18 HB2 ARG 29 HB2 ARG 29 21.600 -8.274 -0.512 19 HB3 ARG 29 HB1 ARG 29 20.919 -6.828 -1.245 20 HG2 ARG 29 HG2 ARG 29 21.919 -7.426 -3.384 21 HG3 ARG 29 HG1 ARG 29 22.633 -8.865 -2.653 22 HD2 ARG 29 HD2 ARG 29 20.405 -9.720 -2.144 23 HD3 ARG 29 HD1 ARG 29 19.681 -8.273 -2.844 24 HE ARG 29 HE ARG 29 21.281 -9.387 -4.809 25 HH11 ARG 29 HH11 ARG 29 18.484 -10.305 -2.947 26 HH12 ARG 29 HH12 ARG 29 17.833 -11.327 -4.185 27 HH21 ARG 29 HH21 ARG 29 20.431 -10.731 -6.448 28 HH22 ARG 29 HH22 ARG 29 18.940 -11.571 -6.174 29 H CYS 30 HN CYS 30 21.774 -4.591 -0.421 30 HA CYS 30 HA CYS 30 22.863 -3.941 2.096 31 HB2 CYS 30 HB2 CYS 30 20.954 -2.335 2.247 32 HB3 CYS 30 HB1 CYS 30 21.867 -2.214 0.746 33 HG CYS 30 HG CYS 30 19.046 -4.108 0.829 34 H LEU 31 HN LEU 31 22.572 -4.966 3.954 35 HA LEU 31 HA LEU 31 20.596 -6.948 4.349 36 HB2 LEU 31 HB2 LEU 31 22.522 -5.560 6.193 37 HB3 LEU 31 HB1 LEU 31 21.378 -6.744 6.786 38 HG LEU 31 HG LEU 31 23.490 -7.826 6.478 39 HD11 LEU 31 HD11 LEU 31 21.657 -8.576 4.208 40 HD12 LEU 31 HD12 LEU 31 21.512 -9.130 5.876 41 HD13 LEU 31 HD13 LEU 31 22.915 -9.592 4.912 42 HD21 LEU 31 HD21 LEU 31 24.451 -6.218 4.892 43 HD22 LEU 31 HD22 LEU 31 23.422 -6.876 3.620 44 HD23 LEU 31 HD23 LEU 31 24.662 -7.886 4.361 45 H PHE 32 HN PHE 32 18.506 -6.439 4.421 46 HA PHE 32 HA PHE 32 16.529 -5.526 5.060 47 HB2 PHE 32 HB2 PHE 32 17.258 -6.257 7.286 48 HB3 PHE 32 HB1 PHE 32 18.101 -4.729 7.519 49 HD1 PHE 32 HD1 PHE 32 14.785 -6.302 7.183 50 HD2 PHE 32 HD2 PHE 32 16.943 -2.777 8.199 51 HE1 PHE 32 HE1 PHE 32 12.736 -5.325 8.134 52 HE2 PHE 32 HE2 PHE 32 14.899 -1.794 9.152 53 HZ PHE 32 HZ PHE 32 12.792 -3.069 9.120 54 H LEU 33 HN LEU 33 16.135 -3.934 3.612 55 HA LEU 33 HA LEU 33 16.237 -1.248 4.519 56 HB2 LEU 33 HB2 LEU 33 18.606 -1.703 3.715 57 HB3 LEU 33 HB1 LEU 33 17.940 -1.785 2.097 58 HG LEU 33 HG LEU 33 17.105 0.542 2.360 59 HD11 LEU 33 HD11 LEU 33 18.685 0.447 4.925 60 HD12 LEU 33 HD12 LEU 33 16.936 0.623 4.777 61 HD13 LEU 33 HD13 LEU 33 18.004 1.901 4.196 62 HD21 LEU 33 HD21 LEU 33 20.068 0.155 2.768 63 HD22 LEU 33 HD22 LEU 33 19.297 1.609 2.134 64 HD23 LEU 33 HD23 LEU 33 19.214 0.098 1.226 65 HA PRO 34 HA PRO 34 14.113 -1.423 0.218 66 HB2 PRO 34 HB2 PRO 34 14.227 -4.127 -0.810 67 HB3 PRO 34 HB1 PRO 34 14.866 -2.647 -1.528 68 HG2 PRO 34 HG2 PRO 34 16.446 -4.656 -0.578 69 HG3 PRO 34 HG1 PRO 34 16.948 -2.955 -0.624 70 HD2 PRO 34 HD2 PRO 34 15.888 -4.558 1.680 71 HD3 PRO 34 HD1 PRO 34 17.233 -3.399 1.640 72 H LEU 35 HN LEU 35 13.819 -3.832 2.606 73 HA LEU 35 HA LEU 35 11.279 -4.886 1.850 74 HB2 LEU 35 HB2 LEU 35 12.680 -6.196 3.272 75 HB3 LEU 35 HB1 LEU 35 12.799 -4.903 4.448 76 HG LEU 35 HG LEU 35 10.080 -5.956 3.878 77 HD11 LEU 35 HD11 LEU 35 11.389 -7.999 3.996 78 HD12 LEU 35 HD12 LEU 35 10.395 -7.811 5.440 79 HD13 LEU 35 HD13 LEU 35 12.122 -7.461 5.506 80 HD21 LEU 35 HD21 LEU 35 11.527 -5.147 6.400 81 HD22 LEU 35 HD22 LEU 35 9.817 -5.559 6.273 82 HD23 LEU 35 HD23 LEU 35 10.441 -4.124 5.458 83 H PHE 36 HN PHE 36 12.301 -2.456 4.236 84 HA PHE 36 HA PHE 36 9.908 -1.861 5.425 85 HB2 PHE 36 HB2 PHE 36 12.054 -0.846 6.069 86 HB3 PHE 36 HB1 PHE 36 12.042 0.118 4.596 87 HD1 PHE 36 HD1 PHE 36 10.153 -0.495 7.731 88 HD2 PHE 36 HD2 PHE 36 10.999 2.197 4.546 89 HE1 PHE 36 HE1 PHE 36 8.902 1.273 8.898 90 HE2 PHE 36 HE2 PHE 36 9.751 3.971 5.707 91 HZ PHE 36 HZ PHE 36 8.700 3.509 7.886 92 H SER 37 HN SER 37 11.035 -0.903 2.249 93 HA SER 37 HA SER 37 8.792 0.849 1.779 94 HB2 SER 37 HB2 SER 37 9.761 1.201 -0.408 95 HB3 SER 37 HB1 SER 37 11.048 1.241 0.797 96 HG SER 37 HG SER 37 11.908 -0.470 -0.069 97 H PHE 38 HN PHE 38 9.628 -2.480 1.187 98 HA PHE 38 HA PHE 38 7.797 -3.065 -0.857 99 HB2 PHE 38 HB2 PHE 38 9.677 -4.537 0.029 100 HB3 PHE 38 HB1 PHE 38 8.581 -4.966 1.334 101 HD1 PHE 38 HD1 PHE 38 9.350 -5.371 -2.194 102 HD2 PHE 38 HD2 PHE 38 6.584 -6.298 0.903 103 HE1 PHE 38 HE1 PHE 38 8.364 -7.126 -3.607 104 HE2 PHE 38 HE2 PHE 38 5.592 -8.055 -0.505 105 HZ PHE 38 HZ PHE 38 6.481 -8.471 -2.762 106 H LEU 39 HN LEU 39 7.445 -2.742 2.598 107 HA LEU 39 HA LEU 39 4.764 -3.801 2.654 108 HB2 LEU 39 HB2 LEU 39 6.539 -2.454 4.671 109 HB3 LEU 39 HB1 LEU 39 4.845 -2.738 5.014 110 HG LEU 39 HG LEU 39 6.181 -4.487 6.007 111 HD11 LEU 39 HD11 LEU 39 3.984 -5.104 5.129 112 HD12 LEU 39 HD12 LEU 39 5.124 -6.446 5.027 113 HD13 LEU 39 HD13 LEU 39 4.720 -5.521 3.581 114 HD21 LEU 39 HD21 LEU 39 7.544 -5.997 4.661 115 HD22 LEU 39 HD22 LEU 39 8.126 -4.336 4.537 116 HD23 LEU 39 HD23 LEU 39 7.191 -5.045 3.220 117 H ILE 40 HN ILE 40 6.291 -0.763 2.144 118 HA ILE 40 HA ILE 40 4.050 0.901 2.773 119 HB ILE 40 HB ILE 40 6.570 1.409 1.191 120 HG12 ILE 40 HG12 ILE 40 5.699 2.398 3.913 121 HG13 ILE 40 HG11 ILE 40 6.776 1.033 3.646 122 HG21 ILE 40 HG21 ILE 40 4.823 2.867 0.338 123 HG22 ILE 40 HG22 ILE 40 6.000 3.791 1.272 124 HG23 ILE 40 HG23 ILE 40 4.434 3.387 1.978 125 HD11 ILE 40 HD11 ILE 40 8.022 3.026 4.220 126 HD12 ILE 40 HD12 ILE 40 7.307 3.888 2.859 127 HD13 ILE 40 HD13 ILE 40 8.387 2.524 2.570 128 H VAL 41 HN VAL 41 5.293 -0.662 -0.115 129 HA VAL 41 HA VAL 41 3.370 0.619 -1.853 130 HB VAL 41 HB VAL 41 5.273 -1.661 -2.424 131 HG11 VAL 41 HG11 VAL 41 3.695 0.099 -4.302 132 HG12 VAL 41 HG12 VAL 41 3.396 -1.608 -3.980 133 HG13 VAL 41 HG13 VAL 41 4.886 -1.110 -4.782 134 HG21 VAL 41 HG21 VAL 41 6.661 0.047 -3.505 135 HG22 VAL 41 HG22 VAL 41 6.453 0.369 -1.784 136 HG23 VAL 41 HG23 VAL 41 5.536 1.295 -2.971 137 H ALA 42 HN ALA 42 3.963 -2.681 -0.658 138 HA ALA 42 HA ALA 42 1.714 -3.854 -1.888 139 HB1 ALA 42 HB1 ALA 42 3.631 -5.143 -1.055 140 HB2 ALA 42 HB2 ALA 42 2.101 -5.740 -0.411 141 HB3 ALA 42 HB3 ALA 42 3.160 -4.755 0.599 142 H GLY 43 HN GLY 43 2.200 -2.491 1.352 143 HA2 GLY 43 HA2 GLY 43 -0.356 -3.175 2.356 144 HA3 GLY 43 HA1 GLY 43 0.706 -1.936 3.005 145 H ALA 44 HN ALA 44 0.765 -0.519 0.393 146 HA ALA 44 HA ALA 44 -1.433 1.217 0.871 147 HB1 ALA 44 HB1 ALA 44 0.440 1.120 -1.490 148 HB2 ALA 44 HB2 ALA 44 0.702 2.025 -0.000 149 HB3 ALA 44 HB3 ALA 44 -0.632 2.455 -1.070 150 H THR 45 HN THR 45 -0.724 -1.169 -1.659 151 HA THR 45 HA THR 45 -3.124 -0.662 -3.119 152 HB THR 45 HB THR 45 -2.585 -2.789 -4.307 153 HG1 THR 45 HG1 THR 45 -0.594 -3.800 -3.755 154 HG21 THR 45 HG21 THR 45 -0.527 -1.969 -5.350 155 HG22 THR 45 HG22 THR 45 -0.284 -0.857 -4.002 156 HG23 THR 45 HG23 THR 45 -1.669 -0.653 -5.075 157 H THR 46 HN THR 46 -2.198 -2.887 -0.567 158 HA THR 46 HA THR 46 -4.489 -4.562 -0.759 159 HB THR 46 HB THR 46 -2.713 -4.093 1.645 160 HG1 THR 46 HG1 THR 46 -2.541 -5.923 -0.530 161 HG21 THR 46 HG21 THR 46 -4.520 -6.416 0.959 162 HG22 THR 46 HG22 THR 46 -4.856 -5.185 2.177 163 HG23 THR 46 HG23 THR 46 -3.491 -6.282 2.385 164 H LEU 47 HN LEU 47 -3.720 -1.657 1.087 165 HA LEU 47 HA LEU 47 -6.112 -1.730 2.655 166 HB2 LEU 47 HB2 LEU 47 -3.790 -0.465 2.986 167 HB3 LEU 47 HB1 LEU 47 -4.662 0.826 2.182 168 HG LEU 47 HG LEU 47 -5.651 -0.548 4.680 169 HD11 LEU 47 HD11 LEU 47 -4.883 1.430 5.888 170 HD12 LEU 47 HD12 LEU 47 -4.151 2.052 4.409 171 HD13 LEU 47 HD13 LEU 47 -3.538 0.569 5.140 172 HD21 LEU 47 HD21 LEU 47 -6.476 1.996 3.286 173 HD22 LEU 47 HD22 LEU 47 -7.085 1.450 4.848 174 HD23 LEU 47 HD23 LEU 47 -7.409 0.504 3.396 175 H PHE 48 HN PHE 48 -5.097 -0.130 -0.320 176 HA PHE 48 HA PHE 48 -7.288 1.583 -0.647 177 HB2 PHE 48 HB2 PHE 48 -5.236 1.751 -1.992 178 HB3 PHE 48 HB1 PHE 48 -5.622 0.224 -2.778 179 HD1 PHE 48 HD1 PHE 48 -6.602 3.754 -2.430 180 HD2 PHE 48 HD2 PHE 48 -7.210 0.113 -4.548 181 HE1 PHE 48 HE1 PHE 48 -7.877 4.969 -4.148 182 HE2 PHE 48 HE2 PHE 48 -8.485 1.321 -6.269 183 HZ PHE 48 HZ PHE 48 -8.819 3.753 -6.071 184 H CYS 49 HN CYS 49 -6.760 -1.719 -1.858 185 HA CYS 49 HA CYS 49 -9.330 -1.927 -3.067 186 HB2 CYS 49 HB2 CYS 49 -7.469 -3.310 -3.830 187 HB3 CYS 49 HB1 CYS 49 -7.366 -4.078 -2.249 188 HG CYS 49 HG CYS 49 -9.923 -4.402 -4.498 189 H LEU 50 HN LEU 50 -8.137 -2.337 0.135 190 HA LEU 50 HA LEU 50 -10.052 -4.125 1.160 191 HB2 LEU 50 HB2 LEU 50 -7.837 -2.928 2.158 192 HB3 LEU 50 HB1 LEU 50 -9.085 -1.988 2.954 193 HG LEU 50 HG LEU 50 -10.069 -4.157 3.776 194 HD11 LEU 50 HD11 LEU 50 -8.600 -6.117 3.780 195 HD12 LEU 50 HD12 LEU 50 -7.453 -5.255 2.754 196 HD13 LEU 50 HD13 LEU 50 -9.061 -5.648 2.144 197 HD21 LEU 50 HD21 LEU 50 -7.254 -3.470 4.613 198 HD22 LEU 50 HD22 LEU 50 -8.386 -4.447 5.546 199 HD23 LEU 50 HD23 LEU 50 -8.739 -2.748 5.233 200 H LEU 51 HN LEU 51 -9.938 -0.564 1.336 201 HA LEU 51 HA LEU 51 -12.564 -0.340 2.419 202 HB2 LEU 51 HB2 LEU 51 -10.877 1.751 1.040 203 HB3 LEU 51 HB1 LEU 51 -12.302 2.062 2.012 204 HG LEU 51 HG LEU 51 -9.724 0.875 3.046 205 HD11 LEU 51 HD11 LEU 51 -9.457 3.210 2.413 206 HD12 LEU 51 HD12 LEU 51 -9.436 3.029 4.167 207 HD13 LEU 51 HD13 LEU 51 -10.880 3.642 3.361 208 HD21 LEU 51 HD21 LEU 51 -11.649 0.099 4.304 209 HD22 LEU 51 HD22 LEU 51 -12.227 1.755 4.478 210 HD23 LEU 51 HD23 LEU 51 -10.724 1.260 5.257 211 H HIS 52 HN HIS 52 -11.215 -0.283 -0.809 212 HA HIS 52 HA HIS 52 -13.498 0.751 -2.136 213 HB2 HIS 52 HB2 HIS 52 -11.067 0.557 -2.987 214 HB3 HIS 52 HB1 HIS 52 -11.493 -1.098 -3.410 215 HD1 HIS 52 HD1 HIS 52 -12.720 -1.442 -5.571 216 HD2 HIS 52 HD2 HIS 52 -12.607 2.548 -4.415 217 HE1 HIS 52 HE1 HIS 52 -13.629 -0.148 -7.528 218 HE2 HIS 52 HE2 HIS 52 -13.610 2.258 -6.781 219 H PHE 53 HN PHE 53 -12.921 -2.216 -0.649 220 HA PHE 53 HA PHE 53 -14.415 -3.927 -2.370 221 HB2 PHE 53 HB2 PHE 53 -12.716 -4.395 -0.340 222 HB3 PHE 53 HB1 PHE 53 -14.239 -4.555 0.529 223 HD1 PHE 53 HD1 PHE 53 -11.936 -6.092 -1.758 224 HD2 PHE 53 HD2 PHE 53 -15.916 -6.246 -0.258 225 HE1 PHE 53 HE1 PHE 53 -12.158 -8.395 -2.593 226 HE2 PHE 53 HE2 PHE 53 -16.143 -8.551 -1.090 227 HZ PHE 53 HZ PHE 53 -14.263 -9.629 -2.259 228 H GLY 54 HN GLY 54 -15.323 -1.467 -0.240 229 HA2 GLY 54 HA2 GLY 54 -17.595 -0.717 -0.148 230 HA3 GLY 54 HA1 GLY 54 -18.116 -2.383 -0.363 231 H VAL 55 HN VAL 55 -15.572 -1.556 1.848 232 HA VAL 55 HA VAL 55 -16.908 -2.779 4.037 233 HB VAL 55 HB VAL 55 -14.343 -2.464 3.504 234 HG11 VAL 55 HG11 VAL 55 -14.903 -0.212 5.410 235 HG12 VAL 55 HG12 VAL 55 -14.426 -0.028 3.724 236 HG13 VAL 55 HG13 VAL 55 -13.314 -0.764 4.879 237 HG21 VAL 55 HG21 VAL 55 -13.855 -3.027 5.832 238 HG22 VAL 55 HG22 VAL 55 -15.272 -3.899 5.246 239 HG23 VAL 55 HG23 VAL 55 -15.472 -2.500 6.300 240 H ILE 56 HN ILE 56 -17.071 0.326 2.735 241 HA ILE 56 HA ILE 56 -18.162 1.374 5.259 242 HB ILE 56 HB ILE 56 -17.660 3.654 4.401 243 HG12 ILE 56 HG12 ILE 56 -17.399 2.660 1.980 244 HG13 ILE 56 HG11 ILE 56 -16.464 4.065 2.472 245 HG21 ILE 56 HG21 ILE 56 -15.244 3.562 4.911 246 HG22 ILE 56 HG22 ILE 56 -15.322 1.803 4.820 247 HG23 ILE 56 HG23 ILE 56 -16.233 2.662 6.061 248 HD11 ILE 56 HD11 ILE 56 -15.373 1.274 2.642 249 HD12 ILE 56 HD12 ILE 56 -14.496 2.802 2.693 250 HD13 ILE 56 HD13 ILE 56 -15.243 2.264 1.189 251 H GLY 57 HN GLY 57 -18.691 0.775 1.938 252 HA2 GLY 57 HA2 GLY 57 -20.575 0.931 0.629 253 HA3 GLY 57 HA1 GLY 57 -21.480 1.128 2.123 254 HA PRO 58 HA PRO 58 -21.830 5.164 -0.045 255 HB2 PRO 58 HB2 PRO 58 -24.458 5.526 0.266 256 HB3 PRO 58 HB1 PRO 58 -23.826 4.427 -0.966 257 HG2 PRO 58 HG2 PRO 58 -24.957 3.799 1.734 258 HG3 PRO 58 HG1 PRO 58 -25.233 2.977 0.187 259 HD2 PRO 58 HD2 PRO 58 -23.469 2.103 2.109 260 HD3 PRO 58 HD1 PRO 58 -23.331 1.722 0.382 261 H GLN 59 HN GLN 59 -22.370 4.077 3.133 262 HA GLN 59 HA GLN 59 -21.850 6.674 4.227 263 HB2 GLN 59 HB2 GLN 59 -24.286 6.816 3.823 264 HB3 GLN 59 HB1 GLN 59 -24.522 5.384 4.817 265 HG2 GLN 59 HG2 GLN 59 -23.499 6.643 6.720 266 HG3 GLN 59 HG1 GLN 59 -23.523 8.080 5.699 267 HE21 GLN 59 HE21 GLN 59 -25.436 5.789 7.475 268 HE22 GLN 59 HE22 GLN 59 -26.910 6.689 7.447 269 H ARG 60 HN ARG 60 -21.277 6.602 6.432 270 HA ARG 60 HA ARG 60 -20.013 4.265 7.289 271 HB2 ARG 60 HB2 ARG 60 -20.918 6.615 8.961 272 HB3 ARG 60 HB1 ARG 60 -19.729 5.412 9.443 273 HG2 ARG 60 HG2 ARG 60 -18.249 6.124 7.657 274 HG3 ARG 60 HG1 ARG 60 -19.451 7.298 7.113 275 HD2 ARG 60 HD2 ARG 60 -19.293 8.444 9.276 276 HD3 ARG 60 HD1 ARG 60 -18.077 7.278 9.800 277 HE ARG 60 HE ARG 60 -17.039 8.295 7.512 278 HH11 ARG 60 HH11 ARG 60 -18.264 9.727 10.445 279 HH12 ARG 60 HH12 ARG 60 -17.224 11.108 10.356 280 HH21 ARG 60 HH21 ARG 60 -15.668 10.110 7.389 281 HH22 ARG 60 HH22 ARG 60 -15.751 11.326 8.619 Start of MODEL 15 1 H1 ARG 28 HT1 ARG 28 22.451 7.903 -7.099 2 H2 ARG 28 HT2 ARG 28 22.373 6.588 -8.159 3 H3 ARG 28 HT3 ARG 28 23.509 6.596 -6.906 4 HA ARG 28 HA ARG 28 21.778 6.497 -5.260 5 HB2 ARG 28 HB2 ARG 28 20.092 7.733 -6.578 6 HB3 ARG 28 HB1 ARG 28 19.915 6.344 -7.639 7 HG2 ARG 28 HG2 ARG 28 19.085 5.010 -5.778 8 HG3 ARG 28 HG1 ARG 28 19.287 6.388 -4.693 9 HD2 ARG 28 HD2 ARG 28 17.686 7.667 -6.047 10 HD3 ARG 28 HD1 ARG 28 17.465 6.265 -7.093 11 HE ARG 28 HE ARG 28 16.949 5.650 -4.358 12 HH11 ARG 28 HH11 ARG 28 15.580 7.108 -7.210 13 HH12 ARG 28 HH12 ARG 28 13.942 6.811 -6.732 14 HH21 ARG 28 HH21 ARG 28 14.797 5.254 -3.721 15 HH22 ARG 28 HH22 ARG 28 13.496 5.757 -4.749 16 H ARG 29 HN ARG 29 22.980 4.645 -4.878 17 HA ARG 29 HA ARG 29 22.455 2.284 -6.513 18 HB2 ARG 29 HB2 ARG 29 24.359 2.660 -4.195 19 HB3 ARG 29 HB1 ARG 29 24.266 1.242 -5.230 20 HG2 ARG 29 HG2 ARG 29 24.938 2.596 -7.149 21 HG3 ARG 29 HG1 ARG 29 25.029 4.019 -6.110 22 HD2 ARG 29 HD2 ARG 29 26.758 2.906 -4.765 23 HD3 ARG 29 HD1 ARG 29 26.681 1.510 -5.840 24 HE ARG 29 HE ARG 29 27.194 3.790 -7.380 25 HH11 ARG 29 HH11 ARG 29 28.745 1.810 -4.965 26 HH12 ARG 29 HH12 ARG 29 30.346 2.150 -5.531 27 HH21 ARG 29 HH21 ARG 29 29.299 4.239 -8.132 28 HH22 ARG 29 HH22 ARG 29 30.661 3.530 -7.331 29 H CYS 30 HN CYS 30 21.528 0.409 -5.739 30 HA CYS 30 HA CYS 30 20.378 0.512 -3.033 31 HB2 CYS 30 HB2 CYS 30 18.291 -0.466 -3.906 32 HB3 CYS 30 HB1 CYS 30 18.613 1.115 -4.608 33 HG CYS 30 HG CYS 30 18.898 -1.930 -6.123 34 H LEU 31 HN LEU 31 20.497 -1.341 -1.889 35 HA LEU 31 HA LEU 31 21.590 -3.702 -3.271 36 HB2 LEU 31 HB2 LEU 31 21.989 -2.763 -0.430 37 HB3 LEU 31 HB1 LEU 31 22.509 -4.329 -1.018 38 HG LEU 31 HG LEU 31 24.422 -2.925 -0.990 39 HD11 LEU 31 HD11 LEU 31 25.100 -2.869 -3.322 40 HD12 LEU 31 HD12 LEU 31 23.421 -3.057 -3.828 41 HD13 LEU 31 HD13 LEU 31 24.230 -4.359 -2.957 42 HD21 LEU 31 HD21 LEU 31 22.888 -0.915 -2.628 43 HD22 LEU 31 HD22 LEU 31 24.548 -0.765 -2.054 44 HD23 LEU 31 HD23 LEU 31 23.214 -0.777 -0.900 45 H PHE 32 HN PHE 32 19.985 -3.104 -0.144 46 HA PHE 32 HA PHE 32 18.059 -5.228 -0.825 47 HB2 PHE 32 HB2 PHE 32 19.803 -5.925 0.855 48 HB3 PHE 32 HB1 PHE 32 19.168 -4.693 1.939 49 HD1 PHE 32 HD1 PHE 32 17.516 -5.261 3.441 50 HD2 PHE 32 HD2 PHE 32 18.065 -7.653 -0.036 51 HE1 PHE 32 HE1 PHE 32 15.851 -6.866 4.286 52 HE2 PHE 32 HE2 PHE 32 16.403 -9.261 0.802 53 HZ PHE 32 HZ PHE 32 15.294 -8.869 2.966 54 H LEU 33 HN LEU 33 18.446 -2.034 -0.246 55 HA LEU 33 HA LEU 33 16.417 -1.350 1.550 56 HB2 LEU 33 HB2 LEU 33 18.227 0.139 0.590 57 HB3 LEU 33 HB1 LEU 33 17.235 0.281 -0.848 58 HG LEU 33 HG LEU 33 16.120 1.015 1.840 59 HD11 LEU 33 HD11 LEU 33 17.733 2.810 0.032 60 HD12 LEU 33 HD12 LEU 33 18.220 2.238 1.627 61 HD13 LEU 33 HD13 LEU 33 16.836 3.317 1.463 62 HD21 LEU 33 HD21 LEU 33 14.529 0.860 0.040 63 HD22 LEU 33 HD22 LEU 33 15.542 1.865 -0.994 64 HD23 LEU 33 HD23 LEU 33 14.779 2.560 0.435 65 HA PRO 34 HA PRO 34 13.639 -0.912 -2.586 66 HB2 PRO 34 HB2 PRO 34 14.682 -3.463 -3.734 67 HB3 PRO 34 HB1 PRO 34 14.067 -2.025 -4.559 68 HG2 PRO 34 HG2 PRO 34 16.680 -2.496 -4.430 69 HG3 PRO 34 HG1 PRO 34 16.042 -0.849 -4.264 70 HD2 PRO 34 HD2 PRO 34 17.123 -2.685 -2.182 71 HD3 PRO 34 HD1 PRO 34 17.209 -0.916 -2.284 72 H LEU 35 HN LEU 35 14.624 -3.744 -0.790 73 HA LEU 35 HA LEU 35 12.259 -5.257 -1.123 74 HB2 LEU 35 HB2 LEU 35 14.524 -6.032 -0.237 75 HB3 LEU 35 HB1 LEU 35 14.056 -5.325 1.296 76 HG LEU 35 HG LEU 35 13.714 -7.780 1.185 77 HD11 LEU 35 HD11 LEU 35 11.128 -6.260 1.453 78 HD12 LEU 35 HD12 LEU 35 12.384 -6.327 2.689 79 HD13 LEU 35 HD13 LEU 35 11.544 -7.801 2.206 80 HD21 LEU 35 HD21 LEU 35 11.898 -8.692 -0.146 81 HD22 LEU 35 HD22 LEU 35 13.104 -7.930 -1.184 82 HD23 LEU 35 HD23 LEU 35 11.586 -7.101 -0.841 83 H PHE 36 HN PHE 36 13.333 -3.166 1.556 84 HA PHE 36 HA PHE 36 11.101 -3.371 3.173 85 HB2 PHE 36 HB2 PHE 36 13.000 -1.069 2.737 86 HB3 PHE 36 HB1 PHE 36 11.746 -1.048 3.970 87 HD1 PHE 36 HD1 PHE 36 14.766 -2.858 2.833 88 HD2 PHE 36 HD2 PHE 36 12.070 -2.102 6.038 89 HE1 PHE 36 HE1 PHE 36 16.277 -4.035 4.376 90 HE2 PHE 36 HE2 PHE 36 13.578 -3.276 7.588 91 HZ PHE 36 HZ PHE 36 15.682 -4.245 6.759 92 H SER 37 HN SER 37 11.537 -1.470 0.264 93 HA SER 37 HA SER 37 9.273 0.210 0.649 94 HB2 SER 37 HB2 SER 37 9.647 0.984 -1.562 95 HB3 SER 37 HB1 SER 37 11.242 0.641 -0.894 96 HG SER 37 HG SER 37 9.738 -0.995 -2.655 97 H PHE 38 HN PHE 38 9.718 -2.987 -0.685 98 HA PHE 38 HA PHE 38 7.359 -3.178 -2.189 99 HB2 PHE 38 HB2 PHE 38 9.173 -5.149 -0.894 100 HB3 PHE 38 HB1 PHE 38 7.608 -5.713 -1.463 101 HD1 PHE 38 HD1 PHE 38 7.015 -5.254 -3.907 102 HD2 PHE 38 HD2 PHE 38 10.964 -4.933 -2.356 103 HE1 PHE 38 HE1 PHE 38 7.921 -5.454 -6.187 104 HE2 PHE 38 HE2 PHE 38 11.878 -5.133 -4.631 105 HZ PHE 38 HZ PHE 38 10.347 -5.396 -6.554 106 H LEU 39 HN LEU 39 7.980 -3.556 1.238 107 HA LEU 39 HA LEU 39 5.329 -4.510 1.837 108 HB2 LEU 39 HB2 LEU 39 7.665 -3.616 3.505 109 HB3 LEU 39 HB1 LEU 39 6.103 -3.940 4.232 110 HG LEU 39 HG LEU 39 6.224 -6.261 3.290 111 HD11 LEU 39 HD11 LEU 39 8.417 -7.095 2.589 112 HD12 LEU 39 HD12 LEU 39 9.061 -5.455 2.664 113 HD13 LEU 39 HD13 LEU 39 7.805 -5.857 1.492 114 HD21 LEU 39 HD21 LEU 39 8.451 -5.446 5.152 115 HD22 LEU 39 HD22 LEU 39 7.792 -7.072 4.971 116 HD23 LEU 39 HD23 LEU 39 6.783 -5.777 5.616 117 H ILE 40 HN ILE 40 6.883 -1.490 1.419 118 HA ILE 40 HA ILE 40 5.006 0.091 2.913 119 HB ILE 40 HB ILE 40 7.116 0.838 0.884 120 HG12 ILE 40 HG12 ILE 40 7.019 1.241 3.882 121 HG13 ILE 40 HG11 ILE 40 7.886 -0.063 3.078 122 HG21 ILE 40 HG21 ILE 40 5.428 2.670 2.586 123 HG22 ILE 40 HG22 ILE 40 5.323 2.491 0.835 124 HG23 ILE 40 HG23 ILE 40 6.782 3.159 1.565 125 HD11 ILE 40 HD11 ILE 40 9.294 1.588 1.945 126 HD12 ILE 40 HD12 ILE 40 9.396 1.717 3.701 127 HD13 ILE 40 HD13 ILE 40 8.436 2.880 2.786 128 H VAL 41 HN VAL 41 5.378 -1.000 -0.388 129 HA VAL 41 HA VAL 41 3.241 0.692 -1.377 130 HB VAL 41 HB VAL 41 4.772 -1.516 -2.766 131 HG11 VAL 41 HG11 VAL 41 2.606 -1.142 -3.803 132 HG12 VAL 41 HG12 VAL 41 3.894 -0.526 -4.837 133 HG13 VAL 41 HG13 VAL 41 2.920 0.591 -3.880 134 HG21 VAL 41 HG21 VAL 41 6.204 0.348 -2.096 135 HG22 VAL 41 HG22 VAL 41 5.116 1.479 -2.901 136 HG23 VAL 41 HG23 VAL 41 6.009 0.289 -3.848 137 H ALA 42 HN ALA 42 3.732 -2.619 -0.365 138 HA ALA 42 HA ALA 42 1.393 -3.743 -1.463 139 HB1 ALA 42 HB1 ALA 42 1.731 -5.548 0.173 140 HB2 ALA 42 HB2 ALA 42 2.957 -4.569 0.981 141 HB3 ALA 42 HB3 ALA 42 3.221 -5.126 -0.672 142 H GLY 43 HN GLY 43 2.043 -2.242 1.686 143 HA2 GLY 43 HA2 GLY 43 -0.505 -2.763 2.802 144 HA3 GLY 43 HA1 GLY 43 0.628 -1.539 3.356 145 H ALA 44 HN ALA 44 0.737 -0.097 0.863 146 HA ALA 44 HA ALA 44 -1.448 1.654 1.251 147 HB1 ALA 44 HB1 ALA 44 -0.593 2.854 -0.692 148 HB2 ALA 44 HB2 ALA 44 0.455 1.491 -1.085 149 HB3 ALA 44 HB3 ALA 44 0.719 2.406 0.400 150 H THR 45 HN THR 45 -0.753 -0.788 -1.224 151 HA THR 45 HA THR 45 -3.081 -0.254 -2.771 152 HB THR 45 HB THR 45 -2.607 -2.435 -3.862 153 HG1 THR 45 HG1 THR 45 -0.397 -2.561 -2.067 154 HG21 THR 45 HG21 THR 45 -0.197 -0.653 -3.492 155 HG22 THR 45 HG22 THR 45 -1.503 -0.401 -4.651 156 HG23 THR 45 HG23 THR 45 -0.438 -1.798 -4.812 157 H THR 46 HN THR 46 -2.316 -2.550 -0.197 158 HA THR 46 HA THR 46 -4.678 -4.078 -0.355 159 HB THR 46 HB THR 46 -2.979 -3.519 2.090 160 HG1 THR 46 HG1 THR 46 -2.319 -4.763 -0.108 161 HG21 THR 46 HG21 THR 46 -4.936 -5.747 1.513 162 HG22 THR 46 HG22 THR 46 -5.163 -4.440 2.676 163 HG23 THR 46 HG23 THR 46 -3.895 -5.639 2.931 164 H LEU 47 HN LEU 47 -3.900 -1.063 1.269 165 HA LEU 47 HA LEU 47 -6.279 -0.905 2.814 166 HB2 LEU 47 HB2 LEU 47 -4.169 0.350 3.275 167 HB3 LEU 47 HB1 LEU 47 -4.490 1.340 1.867 168 HG LEU 47 HG LEU 47 -5.062 2.301 4.172 169 HD11 LEU 47 HD11 LEU 47 -5.776 3.264 2.018 170 HD12 LEU 47 HD12 LEU 47 -6.948 3.517 3.311 171 HD13 LEU 47 HD13 LEU 47 -7.237 2.279 2.089 172 HD21 LEU 47 HD21 LEU 47 -7.468 0.514 3.833 173 HD22 LEU 47 HD22 LEU 47 -7.224 1.724 5.093 174 HD23 LEU 47 HD23 LEU 47 -6.195 0.293 5.033 175 H PHE 48 HN PHE 48 -5.297 0.463 -0.308 176 HA PHE 48 HA PHE 48 -7.696 1.872 -0.804 177 HB2 PHE 48 HB2 PHE 48 -5.544 2.290 -1.989 178 HB3 PHE 48 HB1 PHE 48 -5.738 0.752 -2.822 179 HD1 PHE 48 HD1 PHE 48 -7.051 4.166 -2.479 180 HD2 PHE 48 HD2 PHE 48 -7.243 0.513 -4.655 181 HE1 PHE 48 HE1 PHE 48 -8.353 5.287 -4.239 182 HE2 PHE 48 HE2 PHE 48 -8.546 1.627 -6.419 183 HZ PHE 48 HZ PHE 48 -9.102 4.018 -6.213 184 H CYS 49 HN CYS 49 -6.661 -1.410 -1.425 185 HA CYS 49 HA CYS 49 -8.963 -2.074 -3.027 186 HB2 CYS 49 HB2 CYS 49 -6.700 -3.700 -1.873 187 HB3 CYS 49 HB1 CYS 49 -8.021 -4.427 -2.778 188 HG CYS 49 HG CYS 49 -6.024 -1.984 -4.092 189 H LEU 50 HN LEU 50 -8.130 -2.086 0.312 190 HA LEU 50 HA LEU 50 -9.794 -4.114 1.287 191 HB2 LEU 50 HB2 LEU 50 -7.997 -2.529 2.429 192 HB3 LEU 50 HB1 LEU 50 -9.428 -1.622 2.872 193 HG LEU 50 HG LEU 50 -10.340 -3.719 3.911 194 HD11 LEU 50 HD11 LEU 50 -9.030 -5.361 2.722 195 HD12 LEU 50 HD12 LEU 50 -8.702 -5.487 4.450 196 HD13 LEU 50 HD13 LEU 50 -7.536 -4.698 3.385 197 HD21 LEU 50 HD21 LEU 50 -7.731 -2.656 4.986 198 HD22 LEU 50 HD22 LEU 50 -8.933 -3.556 5.911 199 HD23 LEU 50 HD23 LEU 50 -9.331 -1.967 5.260 200 H LEU 51 HN LEU 51 -10.437 -0.602 1.307 201 HA LEU 51 HA LEU 51 -13.187 -0.949 1.968 202 HB2 LEU 51 HB2 LEU 51 -11.889 1.508 0.802 203 HB3 LEU 51 HB1 LEU 51 -13.372 1.432 1.732 204 HG LEU 51 HG LEU 51 -10.599 0.874 2.788 205 HD11 LEU 51 HD11 LEU 51 -10.989 3.234 2.323 206 HD12 LEU 51 HD12 LEU 51 -10.921 2.933 4.059 207 HD13 LEU 51 HD13 LEU 51 -12.477 3.182 3.269 208 HD21 LEU 51 HD21 LEU 51 -11.711 0.815 4.990 209 HD22 LEU 51 HD22 LEU 51 -12.226 -0.500 3.932 210 HD23 LEU 51 HD23 LEU 51 -13.275 0.896 4.178 211 H HIS 52 HN HIS 52 -11.419 -0.771 -1.013 212 HA HIS 52 HA HIS 52 -13.565 -0.013 -2.698 213 HB2 HIS 52 HB2 HIS 52 -11.102 0.079 -3.266 214 HB3 HIS 52 HB1 HIS 52 -11.165 -1.665 -3.494 215 HD1 HIS 52 HD1 HIS 52 -12.300 1.556 -5.032 216 HD2 HIS 52 HD2 HIS 52 -12.380 -2.516 -5.857 217 HE1 HIS 52 HE1 HIS 52 -13.038 1.370 -7.429 218 HE2 HIS 52 HE2 HIS 52 -12.982 -1.097 -7.935 219 H PHE 53 HN PHE 53 -12.950 -2.864 -1.007 220 HA PHE 53 HA PHE 53 -13.873 -4.852 -2.742 221 HB2 PHE 53 HB2 PHE 53 -12.770 -5.318 -0.586 222 HB3 PHE 53 HB1 PHE 53 -14.182 -4.705 0.266 223 HD1 PHE 53 HD1 PHE 53 -12.925 -7.419 -1.885 224 HD2 PHE 53 HD2 PHE 53 -16.111 -6.041 0.577 225 HE1 PHE 53 HE1 PHE 53 -13.922 -9.668 -1.921 226 HE2 PHE 53 HE2 PHE 53 -17.112 -8.288 0.547 227 HZ PHE 53 HZ PHE 53 -16.013 -10.108 -0.711 228 H GLY 54 HN GLY 54 -15.554 -2.331 -1.120 229 HA2 GLY 54 HA2 GLY 54 -17.766 -1.761 -1.967 230 HA3 GLY 54 HA1 GLY 54 -18.114 -3.484 -2.038 231 H VAL 55 HN VAL 55 -16.390 -2.184 0.664 232 HA VAL 55 HA VAL 55 -18.480 -3.030 2.460 233 HB VAL 55 HB VAL 55 -15.688 -2.754 2.635 234 HG11 VAL 55 HG11 VAL 55 -17.068 -1.018 4.667 235 HG12 VAL 55 HG12 VAL 55 -15.991 -0.460 3.387 236 HG13 VAL 55 HG13 VAL 55 -15.367 -1.481 4.683 237 HG21 VAL 55 HG21 VAL 55 -17.009 -4.582 3.544 238 HG22 VAL 55 HG22 VAL 55 -17.720 -3.493 4.737 239 HG23 VAL 55 HG23 VAL 55 -15.996 -3.865 4.799 240 H ILE 56 HN ILE 56 -17.364 -0.070 1.079 241 HA ILE 56 HA ILE 56 -19.534 1.364 2.372 242 HB ILE 56 HB ILE 56 -17.961 3.292 2.901 243 HG12 ILE 56 HG12 ILE 56 -15.978 1.069 2.443 244 HG13 ILE 56 HG11 ILE 56 -15.972 2.697 1.775 245 HG21 ILE 56 HG21 ILE 56 -17.689 0.775 4.536 246 HG22 ILE 56 HG22 ILE 56 -19.045 1.900 4.602 247 HG23 ILE 56 HG23 ILE 56 -17.438 2.423 5.107 248 HD11 ILE 56 HD11 ILE 56 -15.530 3.545 4.084 249 HD12 ILE 56 HD12 ILE 56 -14.243 2.558 3.391 250 HD13 ILE 56 HD13 ILE 56 -15.333 1.866 4.592 251 H GLY 57 HN GLY 57 -20.544 1.854 0.488 252 HA2 GLY 57 HA2 GLY 57 -19.291 2.559 -1.925 253 HA3 GLY 57 HA1 GLY 57 -20.956 2.935 -1.499 254 HA PRO 58 HA PRO 58 -18.410 6.871 -1.584 255 HB2 PRO 58 HB2 PRO 58 -19.665 8.147 -3.602 256 HB3 PRO 58 HB1 PRO 58 -18.341 7.010 -3.884 257 HG2 PRO 58 HG2 PRO 58 -21.293 6.579 -4.129 258 HG3 PRO 58 HG1 PRO 58 -19.991 6.039 -5.203 259 HD2 PRO 58 HD2 PRO 58 -21.180 4.426 -3.348 260 HD3 PRO 58 HD1 PRO 58 -19.506 4.213 -3.901 261 H GLN 59 HN GLN 59 -20.945 5.912 -0.204 262 HA GLN 59 HA GLN 59 -22.630 6.753 1.063 263 HB2 GLN 59 HB2 GLN 59 -21.075 9.325 0.754 264 HB3 GLN 59 HB1 GLN 59 -22.315 9.017 1.962 265 HG2 GLN 59 HG2 GLN 59 -20.927 7.227 2.905 266 HG3 GLN 59 HG1 GLN 59 -19.678 7.587 1.714 267 HE21 GLN 59 HE21 GLN 59 -19.583 7.688 4.633 268 HE22 GLN 59 HE22 GLN 59 -19.117 9.302 5.038 269 H ARG 60 HN ARG 60 -22.986 6.714 -1.804 270 HA ARG 60 HA ARG 60 -24.898 8.935 -2.097 271 HB2 ARG 60 HB2 ARG 60 -22.849 8.815 -3.668 272 HB3 ARG 60 HB1 ARG 60 -23.680 7.459 -4.419 273 HG2 ARG 60 HG2 ARG 60 -25.041 10.100 -4.072 274 HG3 ARG 60 HG1 ARG 60 -23.963 9.797 -5.435 275 HD2 ARG 60 HD2 ARG 60 -25.332 7.868 -6.078 276 HD3 ARG 60 HD1 ARG 60 -26.410 8.184 -4.720 277 HE ARG 60 HE ARG 60 -26.331 10.518 -6.182 278 HH11 ARG 60 HH11 ARG 60 -27.248 7.205 -6.751 279 HH12 ARG 60 HH12 ARG 60 -28.450 7.607 -7.932 280 HH21 ARG 60 HH21 ARG 60 -27.909 11.055 -7.735 281 HH22 ARG 60 HH22 ARG 60 -28.825 9.796 -8.493 Start of MODEL 16 1 H1 ARG 28 HT1 ARG 28 24.285 6.739 -9.054 2 H2 ARG 28 HT2 ARG 28 23.019 5.644 -9.295 3 H3 ARG 28 HT3 ARG 28 24.615 5.089 -9.231 4 HA ARG 28 HA ARG 28 24.797 5.741 -6.928 5 HB2 ARG 28 HB2 ARG 28 22.891 7.523 -7.399 6 HB3 ARG 28 HB1 ARG 28 21.850 6.227 -6.830 7 HG2 ARG 28 HG2 ARG 28 24.195 7.283 -5.271 8 HG3 ARG 28 HG1 ARG 28 22.545 7.878 -5.090 9 HD2 ARG 28 HD2 ARG 28 21.806 5.633 -4.460 10 HD3 ARG 28 HD1 ARG 28 23.454 5.036 -4.648 11 HE ARG 28 HE ARG 28 23.655 7.089 -2.852 12 HH11 ARG 28 HH11 ARG 28 21.828 4.126 -3.025 13 HH12 ARG 28 HH12 ARG 28 21.775 3.910 -1.307 14 HH21 ARG 28 HH21 ARG 28 23.591 6.810 -0.593 15 HH22 ARG 28 HH22 ARG 28 22.774 5.436 0.075 16 H ARG 29 HN ARG 29 25.106 3.739 -6.225 17 HA ARG 29 HA ARG 29 23.522 1.524 -6.960 18 HB2 ARG 29 HB2 ARG 29 25.559 1.869 -4.757 19 HB3 ARG 29 HB1 ARG 29 24.821 0.327 -5.169 20 HG2 ARG 29 HG2 ARG 29 26.399 2.006 -7.103 21 HG3 ARG 29 HG1 ARG 29 27.077 0.687 -6.148 22 HD2 ARG 29 HD2 ARG 29 25.427 -0.845 -7.177 23 HD3 ARG 29 HD1 ARG 29 24.867 0.484 -8.190 24 HE ARG 29 HE ARG 29 27.607 0.268 -8.573 25 HH11 ARG 29 HH11 ARG 29 24.756 -1.667 -9.100 26 HH12 ARG 29 HH12 ARG 29 25.422 -2.509 -10.458 27 HH21 ARG 29 HH21 ARG 29 28.490 -0.835 -10.362 28 HH22 ARG 29 HH22 ARG 29 27.544 -2.036 -11.177 29 H CYS 30 HN CYS 30 21.599 0.946 -6.247 30 HA CYS 30 HA CYS 30 20.870 1.523 -3.457 31 HB2 CYS 30 HB2 CYS 30 19.054 1.869 -5.854 32 HB3 CYS 30 HB1 CYS 30 18.588 2.085 -4.170 33 HG CYS 30 HG CYS 30 20.411 4.251 -3.807 34 H LEU 31 HN LEU 31 19.710 -0.063 -2.421 35 HA LEU 31 HA LEU 31 18.584 -2.275 -3.900 36 HB2 LEU 31 HB2 LEU 31 20.946 -2.901 -3.790 37 HB3 LEU 31 HB1 LEU 31 20.927 -2.709 -2.048 38 HG LEU 31 HG LEU 31 19.267 -4.562 -1.908 39 HD11 LEU 31 HD11 LEU 31 18.340 -4.367 -4.158 40 HD12 LEU 31 HD12 LEU 31 18.937 -5.998 -3.849 41 HD13 LEU 31 HD13 LEU 31 19.880 -4.885 -4.842 42 HD21 LEU 31 HD21 LEU 31 20.876 -6.350 -2.355 43 HD22 LEU 31 HD22 LEU 31 21.639 -4.981 -1.548 44 HD23 LEU 31 HD23 LEU 31 21.871 -5.225 -3.280 45 H PHE 32 HN PHE 32 19.645 -1.221 -0.666 46 HA PHE 32 HA PHE 32 17.401 -2.576 0.576 47 HB2 PHE 32 HB2 PHE 32 19.465 -0.772 1.851 48 HB3 PHE 32 HB1 PHE 32 18.369 -1.870 2.682 49 HD1 PHE 32 HD1 PHE 32 18.581 -4.382 2.057 50 HD2 PHE 32 HD2 PHE 32 21.596 -1.470 1.323 51 HE1 PHE 32 HE1 PHE 32 20.270 -6.169 1.926 52 HE2 PHE 32 HE2 PHE 32 23.289 -3.250 1.190 53 HZ PHE 32 HZ PHE 32 22.626 -5.602 1.492 54 H LEU 33 HN LEU 33 18.037 0.467 -0.769 55 HA LEU 33 HA LEU 33 16.239 1.959 0.916 56 HB2 LEU 33 HB2 LEU 33 17.606 2.675 -1.674 57 HB3 LEU 33 HB1 LEU 33 16.612 3.782 -0.748 58 HG LEU 33 HG LEU 33 19.187 2.518 0.196 59 HD11 LEU 33 HD11 LEU 33 20.056 4.817 0.076 60 HD12 LEU 33 HD12 LEU 33 18.538 5.334 -0.658 61 HD13 LEU 33 HD13 LEU 33 19.582 4.191 -1.503 62 HD21 LEU 33 HD21 LEU 33 17.661 2.872 2.047 63 HD22 LEU 33 HD22 LEU 33 17.375 4.531 1.523 64 HD23 LEU 33 HD23 LEU 33 18.969 4.053 2.105 65 HA PRO 34 HA PRO 34 13.442 1.777 -3.027 66 HB2 PRO 34 HB2 PRO 34 13.924 -0.190 -4.829 67 HB3 PRO 34 HB1 PRO 34 14.656 1.415 -4.942 68 HG2 PRO 34 HG2 PRO 34 15.820 -1.126 -3.867 69 HG3 PRO 34 HG1 PRO 34 16.568 0.088 -4.923 70 HD2 PRO 34 HD2 PRO 34 17.047 -0.017 -2.265 71 HD3 PRO 34 HD1 PRO 34 17.031 1.510 -3.168 72 H LEU 35 HN LEU 35 14.723 -1.183 -1.642 73 HA LEU 35 HA LEU 35 12.508 -2.856 -2.036 74 HB2 LEU 35 HB2 LEU 35 14.924 -3.310 -1.099 75 HB3 LEU 35 HB1 LEU 35 14.157 -3.032 0.450 76 HG LEU 35 HG LEU 35 14.330 -5.428 -0.140 77 HD11 LEU 35 HD11 LEU 35 12.579 -4.634 1.380 78 HD12 LEU 35 HD12 LEU 35 12.062 -6.036 0.445 79 HD13 LEU 35 HD13 LEU 35 11.494 -4.426 0.006 80 HD21 LEU 35 HD21 LEU 35 12.372 -4.748 -2.329 81 HD22 LEU 35 HD22 LEU 35 12.930 -6.361 -1.887 82 HD23 LEU 35 HD23 LEU 35 14.061 -5.192 -2.567 83 H PHE 36 HN PHE 36 13.302 -0.634 0.606 84 HA PHE 36 HA PHE 36 11.195 -1.251 2.330 85 HB2 PHE 36 HB2 PHE 36 13.185 0.215 2.829 86 HB3 PHE 36 HB1 PHE 36 12.391 1.497 1.922 87 HD1 PHE 36 HD1 PHE 36 11.761 -0.840 4.756 88 HD2 PHE 36 HD2 PHE 36 11.052 2.994 3.049 89 HE1 PHE 36 HE1 PHE 36 10.546 -0.165 6.785 90 HE2 PHE 36 HE2 PHE 36 9.835 3.676 5.076 91 HZ PHE 36 HZ PHE 36 9.590 2.099 6.951 92 H SER 37 HN SER 37 11.197 0.460 -0.674 93 HA SER 37 HA SER 37 8.734 1.864 -0.254 94 HB2 SER 37 HB2 SER 37 10.041 1.182 -2.884 95 HB3 SER 37 HB1 SER 37 8.866 2.456 -2.585 96 HG SER 37 HG SER 37 11.015 3.255 -2.654 97 H PHE 38 HN PHE 38 9.671 -1.102 -1.963 98 HA PHE 38 HA PHE 38 7.093 -1.761 -2.899 99 HB2 PHE 38 HB2 PHE 38 9.505 -3.467 -2.336 100 HB3 PHE 38 HB1 PHE 38 8.046 -4.084 -3.099 101 HD1 PHE 38 HD1 PHE 38 7.371 -3.220 -5.328 102 HD2 PHE 38 HD2 PHE 38 11.107 -2.226 -3.551 103 HE1 PHE 38 HE1 PHE 38 8.220 -2.508 -7.523 104 HE2 PHE 38 HE2 PHE 38 11.963 -1.511 -5.743 105 HZ PHE 38 HZ PHE 38 10.521 -1.651 -7.733 106 H LEU 39 HN LEU 39 8.768 -2.290 0.095 107 HA LEU 39 HA LEU 39 6.924 -4.174 1.193 108 HB2 LEU 39 HB2 LEU 39 9.323 -3.884 1.867 109 HB3 LEU 39 HB1 LEU 39 8.876 -2.371 2.622 110 HG LEU 39 HG LEU 39 9.145 -4.354 4.162 111 HD11 LEU 39 HD11 LEU 39 6.438 -3.054 4.203 112 HD12 LEU 39 HD12 LEU 39 7.929 -2.277 4.734 113 HD13 LEU 39 HD13 LEU 39 7.330 -3.709 5.576 114 HD21 LEU 39 HD21 LEU 39 8.051 -6.018 2.727 115 HD22 LEU 39 HD22 LEU 39 6.514 -5.181 2.939 116 HD23 LEU 39 HD23 LEU 39 7.307 -5.932 4.323 117 H ILE 40 HN ILE 40 7.306 -0.688 1.259 118 HA ILE 40 HA ILE 40 5.197 -0.250 3.157 119 HB ILE 40 HB ILE 40 7.252 1.312 1.929 120 HG12 ILE 40 HG12 ILE 40 5.291 1.975 4.132 121 HG13 ILE 40 HG11 ILE 40 6.797 1.086 4.336 122 HG21 ILE 40 HG21 ILE 40 4.534 2.608 1.787 123 HG22 ILE 40 HG22 ILE 40 5.539 2.157 0.410 124 HG23 ILE 40 HG23 ILE 40 6.082 3.411 1.523 125 HD11 ILE 40 HD11 ILE 40 8.022 3.088 3.544 126 HD12 ILE 40 HD12 ILE 40 7.126 3.344 5.042 127 HD13 ILE 40 HD13 ILE 40 6.490 3.963 3.516 128 H VAL 41 HN VAL 41 5.452 -0.536 -0.291 129 HA VAL 41 HA VAL 41 2.916 0.713 -0.839 130 HB VAL 41 HB VAL 41 5.024 0.525 -2.372 131 HG11 VAL 41 HG11 VAL 41 3.492 -1.945 -3.111 132 HG12 VAL 41 HG12 VAL 41 5.102 -1.891 -2.401 133 HG13 VAL 41 HG13 VAL 41 4.833 -1.253 -4.021 134 HG21 VAL 41 HG21 VAL 41 3.578 0.836 -4.338 135 HG22 VAL 41 HG22 VAL 41 3.016 1.757 -2.943 136 HG23 VAL 41 HG23 VAL 41 2.202 0.260 -3.398 137 H ALA 42 HN ALA 42 4.136 -2.505 -0.347 138 HA ALA 42 HA ALA 42 2.048 -4.007 -1.424 139 HB1 ALA 42 HB1 ALA 42 4.172 -4.973 -0.665 140 HB2 ALA 42 HB2 ALA 42 2.783 -5.809 0.030 141 HB3 ALA 42 HB3 ALA 42 3.704 -4.666 1.008 142 H GLY 43 HN GLY 43 2.359 -2.454 1.731 143 HA2 GLY 43 HA2 GLY 43 -0.138 -3.553 2.693 144 HA3 GLY 43 HA1 GLY 43 0.883 -2.392 3.526 145 H ALA 44 HN ALA 44 0.933 -0.599 1.167 146 HA ALA 44 HA ALA 44 -1.336 0.976 1.845 147 HB1 ALA 44 HB1 ALA 44 0.775 1.990 1.163 148 HB2 ALA 44 HB2 ALA 44 -0.541 2.507 0.109 149 HB3 ALA 44 HB3 ALA 44 0.605 1.286 -0.445 150 H THR 45 HN THR 45 -0.735 -1.448 -0.536 151 HA THR 45 HA THR 45 -2.881 -0.662 -2.290 152 HB THR 45 HB THR 45 -2.452 -2.908 -3.361 153 HG1 THR 45 HG1 THR 45 -1.167 -4.263 -2.375 154 HG21 THR 45 HG21 THR 45 -0.312 -2.242 -4.333 155 HG22 THR 45 HG22 THR 45 -0.064 -1.093 -3.019 156 HG23 THR 45 HG23 THR 45 -1.383 -0.851 -4.164 157 H THR 46 HN THR 46 -2.523 -2.620 0.525 158 HA THR 46 HA THR 46 -4.802 -4.285 0.138 159 HB THR 46 HB THR 46 -3.461 -3.528 2.744 160 HG1 THR 46 HG1 THR 46 -2.872 -5.463 0.768 161 HG21 THR 46 HG21 THR 46 -4.388 -5.661 3.548 162 HG22 THR 46 HG22 THR 46 -5.211 -5.877 2.004 163 HG23 THR 46 HG23 THR 46 -5.658 -4.538 3.062 164 H LEU 47 HN LEU 47 -4.267 -1.110 1.499 165 HA LEU 47 HA LEU 47 -6.852 -0.922 2.740 166 HB2 LEU 47 HB2 LEU 47 -4.917 0.317 3.597 167 HB3 LEU 47 HB1 LEU 47 -4.817 1.213 2.094 168 HG LEU 47 HG LEU 47 -7.083 2.155 2.576 169 HD11 LEU 47 HD11 LEU 47 -7.923 1.996 4.874 170 HD12 LEU 47 HD12 LEU 47 -6.656 0.830 5.249 171 HD13 LEU 47 HD13 LEU 47 -7.903 0.427 4.069 172 HD21 LEU 47 HD21 LEU 47 -4.968 2.664 4.665 173 HD22 LEU 47 HD22 LEU 47 -6.297 3.745 4.246 174 HD23 LEU 47 HD23 LEU 47 -5.035 3.400 3.064 175 H PHE 48 HN PHE 48 -5.396 0.147 -0.290 176 HA PHE 48 HA PHE 48 -7.452 1.824 -1.180 177 HB2 PHE 48 HB2 PHE 48 -5.202 1.659 -2.225 178 HB3 PHE 48 HB1 PHE 48 -5.644 0.083 -2.871 179 HD1 PHE 48 HD1 PHE 48 -6.214 3.696 -3.104 180 HD2 PHE 48 HD2 PHE 48 -7.118 -0.123 -4.750 181 HE1 PHE 48 HE1 PHE 48 -7.168 4.785 -5.093 182 HE2 PHE 48 HE2 PHE 48 -8.072 0.959 -6.744 183 HZ PHE 48 HZ PHE 48 -8.085 3.421 -6.921 184 H CYS 49 HN CYS 49 -6.914 -1.639 -1.803 185 HA CYS 49 HA CYS 49 -9.349 -1.959 -3.255 186 HB2 CYS 49 HB2 CYS 49 -7.422 -3.442 -3.612 187 HB3 CYS 49 HB1 CYS 49 -7.569 -4.038 -1.963 188 HG CYS 49 HG CYS 49 -10.089 -5.214 -2.403 189 H LEU 50 HN LEU 50 -8.498 -1.988 0.083 190 HA LEU 50 HA LEU 50 -10.490 -3.624 1.158 191 HB2 LEU 50 HB2 LEU 50 -8.455 -2.251 2.218 192 HB3 LEU 50 HB1 LEU 50 -9.754 -1.146 2.620 193 HG LEU 50 HG LEU 50 -10.930 -3.082 3.729 194 HD11 LEU 50 HD11 LEU 50 -9.778 -4.902 2.618 195 HD12 LEU 50 HD12 LEU 50 -9.537 -5.003 4.362 196 HD13 LEU 50 HD13 LEU 50 -8.245 -4.394 3.327 197 HD21 LEU 50 HD21 LEU 50 -8.228 -2.286 4.807 198 HD22 LEU 50 HD22 LEU 50 -9.551 -2.978 5.746 199 HD23 LEU 50 HD23 LEU 50 -9.732 -1.387 5.007 200 H LEU 51 HN LEU 51 -10.529 -0.110 0.584 201 HA LEU 51 HA LEU 51 -13.170 0.298 1.486 202 HB2 LEU 51 HB2 LEU 51 -11.537 1.903 -0.481 203 HB3 LEU 51 HB1 LEU 51 -13.031 2.443 0.260 204 HG LEU 51 HG LEU 51 -10.486 1.814 1.760 205 HD11 LEU 51 HD11 LEU 51 -10.267 3.806 0.361 206 HD12 LEU 51 HD12 LEU 51 -10.306 4.222 2.075 207 HD13 LEU 51 HD13 LEU 51 -11.737 4.470 1.075 208 HD21 LEU 51 HD21 LEU 51 -13.124 2.965 2.660 209 HD22 LEU 51 HD22 LEU 51 -11.657 2.928 3.638 210 HD23 LEU 51 HD23 LEU 51 -12.422 1.419 3.139 211 H HIS 52 HN HIS 52 -11.876 -0.855 -1.514 212 HA HIS 52 HA HIS 52 -14.186 -0.333 -3.110 213 HB2 HIS 52 HB2 HIS 52 -11.888 -0.664 -4.032 214 HB3 HIS 52 HB1 HIS 52 -11.993 -2.363 -3.585 215 HD1 HIS 52 HD1 HIS 52 -13.618 -3.855 -4.977 216 HD2 HIS 52 HD2 HIS 52 -13.255 0.052 -6.344 217 HE1 HIS 52 HE1 HIS 52 -14.617 -3.855 -7.285 218 HE2 HIS 52 HE2 HIS 52 -14.331 -1.493 -8.117 219 H PHE 53 HN PHE 53 -13.383 -2.706 -0.785 220 HA PHE 53 HA PHE 53 -14.862 -4.906 -1.725 221 HB2 PHE 53 HB2 PHE 53 -13.217 -5.050 0.106 222 HB3 PHE 53 HB1 PHE 53 -14.284 -4.102 1.136 223 HD1 PHE 53 HD1 PHE 53 -14.010 -7.306 -0.703 224 HD2 PHE 53 HD2 PHE 53 -15.980 -5.124 2.376 225 HE1 PHE 53 HE1 PHE 53 -15.113 -9.373 0.051 226 HE2 PHE 53 HE2 PHE 53 -17.085 -7.187 3.135 227 HZ PHE 53 HZ PHE 53 -16.646 -9.320 1.965 228 H GLY 54 HN GLY 54 -15.866 -1.889 -0.471 229 HA2 GLY 54 HA2 GLY 54 -18.230 -1.351 -0.899 230 HA3 GLY 54 HA1 GLY 54 -18.622 -2.927 -0.230 231 H VAL 55 HN VAL 55 -16.107 -1.461 1.464 232 HA VAL 55 HA VAL 55 -17.587 -1.240 3.845 233 HB VAL 55 HB VAL 55 -14.939 0.060 3.193 234 HG11 VAL 55 HG11 VAL 55 -14.572 0.009 5.619 235 HG12 VAL 55 HG12 VAL 55 -16.205 -0.618 5.846 236 HG13 VAL 55 HG13 VAL 55 -15.965 1.000 5.185 237 HG21 VAL 55 HG21 VAL 55 -13.932 -1.921 4.232 238 HG22 VAL 55 HG22 VAL 55 -14.865 -2.339 2.794 239 HG23 VAL 55 HG23 VAL 55 -15.534 -2.641 4.398 240 H ILE 56 HN ILE 56 -16.739 1.065 1.367 241 HA ILE 56 HA ILE 56 -18.486 3.041 2.661 242 HB ILE 56 HB ILE 56 -17.036 4.841 1.764 243 HG12 ILE 56 HG12 ILE 56 -15.047 2.611 1.290 244 HG13 ILE 56 HG11 ILE 56 -15.948 3.425 0.015 245 HG21 ILE 56 HG21 ILE 56 -16.892 4.157 4.101 246 HG22 ILE 56 HG22 ILE 56 -15.315 4.654 3.489 247 HG23 ILE 56 HG23 ILE 56 -15.687 2.940 3.677 248 HD11 ILE 56 HD11 ILE 56 -14.883 5.539 0.624 249 HD12 ILE 56 HD12 ILE 56 -13.700 4.305 0.189 250 HD13 ILE 56 HD13 ILE 56 -13.970 4.709 1.884 251 H GLY 57 HN GLY 57 -17.487 1.430 -0.176 252 HA2 GLY 57 HA2 GLY 57 -18.615 1.224 -2.190 253 HA3 GLY 57 HA1 GLY 57 -19.762 2.433 -1.630 254 HA PRO 58 HA PRO 58 -17.094 4.484 -4.791 255 HB2 PRO 58 HB2 PRO 58 -19.030 5.373 -6.415 256 HB3 PRO 58 HB1 PRO 58 -18.456 3.702 -6.490 257 HG2 PRO 58 HG2 PRO 58 -20.924 4.802 -5.210 258 HG3 PRO 58 HG1 PRO 58 -20.717 3.313 -6.149 259 HD2 PRO 58 HD2 PRO 58 -20.780 3.426 -3.394 260 HD3 PRO 58 HD1 PRO 58 -20.013 2.128 -4.328 261 H GLN 59 HN GLN 59 -18.784 5.395 -2.254 262 HA GLN 59 HA GLN 59 -19.246 7.344 -1.174 263 HB2 GLN 59 HB2 GLN 59 -16.788 7.627 -1.796 264 HB3 GLN 59 HB1 GLN 59 -17.340 8.650 -3.113 265 HG2 GLN 59 HG2 GLN 59 -16.860 10.198 -1.497 266 HG3 GLN 59 HG1 GLN 59 -18.583 9.944 -1.235 267 HE21 GLN 59 HE21 GLN 59 -18.135 7.315 0.005 268 HE22 GLN 59 HE22 GLN 59 -17.536 7.642 1.590 269 H ARG 60 HN ARG 60 -20.714 6.609 -3.680 270 HA ARG 60 HA ARG 60 -21.471 9.152 -4.836 271 HB2 ARG 60 HB2 ARG 60 -21.329 7.093 -6.209 272 HB3 ARG 60 HB1 ARG 60 -22.644 6.399 -5.271 273 HG2 ARG 60 HG2 ARG 60 -24.126 8.195 -6.044 274 HG3 ARG 60 HG1 ARG 60 -22.804 8.852 -7.012 275 HD2 ARG 60 HD2 ARG 60 -24.053 6.123 -7.312 276 HD3 ARG 60 HD1 ARG 60 -24.297 7.502 -8.383 277 HE ARG 60 HE ARG 60 -21.633 7.186 -8.463 278 HH11 ARG 60 HH11 ARG 60 -24.261 4.927 -8.839 279 HH12 ARG 60 HH12 ARG 60 -23.386 3.892 -9.917 280 HH21 ARG 60 HH21 ARG 60 -20.476 5.827 -9.880 281 HH22 ARG 60 HH22 ARG 60 -21.235 4.404 -10.507 Start of MODEL 17 1 H1 ARG 28 HT1 ARG 28 27.878 -1.133 -8.749 2 H2 ARG 28 HT2 ARG 28 27.417 -1.098 -7.122 3 H3 ARG 28 HT3 ARG 28 28.935 -0.513 -7.584 4 HA ARG 28 HA ARG 28 27.413 1.293 -7.115 5 HB2 ARG 28 HB2 ARG 28 27.726 2.522 -9.218 6 HB3 ARG 28 HB1 ARG 28 29.176 1.633 -8.772 7 HG2 ARG 28 HG2 ARG 28 28.668 -0.083 -10.397 8 HG3 ARG 28 HG1 ARG 28 27.146 0.713 -10.797 9 HD2 ARG 28 HD2 ARG 28 28.407 2.690 -11.550 10 HD3 ARG 28 HD1 ARG 28 29.913 1.844 -11.198 11 HE ARG 28 HE ARG 28 28.651 0.162 -12.895 12 HH11 ARG 28 HH11 ARG 28 29.403 3.561 -13.023 13 HH12 ARG 28 HH12 ARG 28 29.544 3.598 -14.750 14 HH21 ARG 28 HH21 ARG 28 28.834 0.201 -15.171 15 HH22 ARG 28 HH22 ARG 28 29.220 1.689 -15.969 16 H ARG 29 HN ARG 29 25.745 -1.143 -7.660 17 HA ARG 29 HA ARG 29 23.487 0.240 -8.953 18 HB2 ARG 29 HB2 ARG 29 22.685 -2.000 -9.681 19 HB3 ARG 29 HB1 ARG 29 24.213 -1.534 -10.416 20 HG2 ARG 29 HG2 ARG 29 25.411 -2.942 -8.813 21 HG3 ARG 29 HG1 ARG 29 23.872 -3.418 -8.092 22 HD2 ARG 29 HD2 ARG 29 23.176 -4.405 -10.213 23 HD3 ARG 29 HD1 ARG 29 24.696 -3.904 -10.953 24 HE ARG 29 HE ARG 29 25.354 -5.436 -8.742 25 HH11 ARG 29 HH11 ARG 29 23.658 -5.870 -11.754 26 HH12 ARG 29 HH12 ARG 29 24.060 -7.550 -11.886 27 HH21 ARG 29 HH21 ARG 29 25.887 -7.644 -8.906 28 HH22 ARG 29 HH22 ARG 29 25.327 -8.559 -10.267 29 H CYS 30 HN CYS 30 21.654 0.378 -7.808 30 HA CYS 30 HA CYS 30 21.539 -1.079 -5.252 31 HB2 CYS 30 HB2 CYS 30 19.977 0.743 -4.535 32 HB3 CYS 30 HB1 CYS 30 21.612 1.294 -4.886 33 HG CYS 30 HG CYS 30 18.773 1.832 -6.689 34 H LEU 31 HN LEU 31 20.382 -2.881 -5.603 35 HA LEU 31 HA LEU 31 17.774 -2.595 -6.945 36 HB2 LEU 31 HB2 LEU 31 19.597 -4.992 -6.767 37 HB3 LEU 31 HB1 LEU 31 17.953 -5.062 -7.372 38 HG LEU 31 HG LEU 31 18.710 -3.299 -9.090 39 HD11 LEU 31 HD11 LEU 31 21.390 -4.327 -8.173 40 HD12 LEU 31 HD12 LEU 31 20.801 -2.669 -8.050 41 HD13 LEU 31 HD13 LEU 31 21.106 -3.381 -9.634 42 HD21 LEU 31 HD21 LEU 31 19.820 -6.102 -9.198 43 HD22 LEU 31 HD22 LEU 31 19.574 -5.034 -10.580 44 HD23 LEU 31 HD23 LEU 31 18.188 -5.612 -9.655 45 H PHE 32 HN PHE 32 19.411 -3.407 -4.058 46 HA PHE 32 HA PHE 32 17.134 -4.845 -2.940 47 HB2 PHE 32 HB2 PHE 32 19.916 -4.265 -1.944 48 HB3 PHE 32 HB1 PHE 32 18.672 -4.912 -0.880 49 HD1 PHE 32 HD1 PHE 32 18.361 -7.191 -0.734 50 HD2 PHE 32 HD2 PHE 32 20.361 -5.582 -4.129 51 HE1 PHE 32 HE1 PHE 32 18.880 -9.469 -1.503 52 HE2 PHE 32 HE2 PHE 32 20.881 -7.860 -4.905 53 HZ PHE 32 HZ PHE 32 20.140 -9.807 -3.591 54 H LEU 33 HN LEU 33 17.688 -1.743 -3.508 55 HA LEU 33 HA LEU 33 17.021 -0.668 -0.899 56 HB2 LEU 33 HB2 LEU 33 18.575 0.408 -2.653 57 HB3 LEU 33 HB1 LEU 33 17.101 0.900 -3.461 58 HG LEU 33 HG LEU 33 17.615 1.609 -0.584 59 HD11 LEU 33 HD11 LEU 33 18.492 3.752 -1.351 60 HD12 LEU 33 HD12 LEU 33 18.413 3.195 -3.022 61 HD13 LEU 33 HD13 LEU 33 19.515 2.419 -1.885 62 HD21 LEU 33 HD21 LEU 33 15.334 1.877 -1.357 63 HD22 LEU 33 HD22 LEU 33 15.888 2.803 -2.751 64 HD23 LEU 33 HD23 LEU 33 16.079 3.458 -1.124 65 HA PRO 34 HA PRO 34 12.963 0.409 -3.375 66 HB2 PRO 34 HB2 PRO 34 12.922 -1.681 -5.451 67 HB3 PRO 34 HB1 PRO 34 12.566 0.044 -5.585 68 HG2 PRO 34 HG2 PRO 34 14.802 -1.002 -6.613 69 HG3 PRO 34 HG1 PRO 34 14.784 0.614 -5.887 70 HD2 PRO 34 HD2 PRO 34 15.759 -1.974 -4.733 71 HD3 PRO 34 HD1 PRO 34 16.487 -0.356 -4.645 72 H LEU 35 HN LEU 35 14.251 -2.723 -2.743 73 HA LEU 35 HA LEU 35 11.973 -4.309 -2.619 74 HB2 LEU 35 HB2 LEU 35 14.513 -4.853 -2.279 75 HB3 LEU 35 HB1 LEU 35 14.159 -4.576 -0.587 76 HG LEU 35 HG LEU 35 14.116 -6.971 -1.251 77 HD11 LEU 35 HD11 LEU 35 12.106 -7.540 -0.052 78 HD12 LEU 35 HD12 LEU 35 11.446 -5.929 -0.328 79 HD13 LEU 35 HD13 LEU 35 12.863 -6.135 0.700 80 HD21 LEU 35 HD21 LEU 35 13.194 -6.669 -3.507 81 HD22 LEU 35 HD22 LEU 35 11.648 -6.194 -2.800 82 HD23 LEU 35 HD23 LEU 35 12.262 -7.828 -2.558 83 H PHE 36 HN PHE 36 13.377 -2.170 -0.173 84 HA PHE 36 HA PHE 36 11.658 -2.812 1.943 85 HB2 PHE 36 HB2 PHE 36 13.692 -1.523 2.291 86 HB3 PHE 36 HB1 PHE 36 13.060 -0.206 1.311 87 HD1 PHE 36 HD1 PHE 36 11.985 -2.221 4.265 88 HD2 PHE 36 HD2 PHE 36 12.288 1.618 2.455 89 HE1 PHE 36 HE1 PHE 36 11.013 -1.198 6.281 90 HE2 PHE 36 HE2 PHE 36 11.316 2.649 4.467 91 HZ PHE 36 HZ PHE 36 10.675 1.250 6.377 92 H SER 37 HN SER 37 11.190 -0.816 -0.873 93 HA SER 37 HA SER 37 8.834 0.477 0.159 94 HB2 SER 37 HB2 SER 37 10.166 1.684 -1.451 95 HB3 SER 37 HB1 SER 37 9.975 0.391 -2.627 96 HG SER 37 HG SER 37 7.663 0.839 -2.472 97 H PHE 38 HN PHE 38 9.523 -2.505 -1.387 98 HA PHE 38 HA PHE 38 6.988 -2.886 -2.618 99 HB2 PHE 38 HB2 PHE 38 9.288 -4.633 -1.926 100 HB3 PHE 38 HB1 PHE 38 7.751 -5.403 -2.295 101 HD1 PHE 38 HD1 PHE 38 6.736 -5.119 -4.524 102 HD2 PHE 38 HD2 PHE 38 10.615 -3.627 -3.615 103 HE1 PHE 38 HE1 PHE 38 7.214 -4.912 -6.928 104 HE2 PHE 38 HE2 PHE 38 11.102 -3.415 -6.018 105 HZ PHE 38 HZ PHE 38 9.390 -4.049 -7.679 106 H LEU 39 HN LEU 39 8.257 -3.344 0.583 107 HA LEU 39 HA LEU 39 6.019 -4.881 1.540 108 HB2 LEU 39 HB2 LEU 39 8.356 -3.536 2.878 109 HB3 LEU 39 HB1 LEU 39 7.070 -4.278 3.807 110 HG LEU 39 HG LEU 39 7.575 -6.437 2.603 111 HD11 LEU 39 HD11 LEU 39 10.022 -4.901 1.737 112 HD12 LEU 39 HD12 LEU 39 8.747 -5.516 0.683 113 HD13 LEU 39 HD13 LEU 39 9.782 -6.640 1.563 114 HD21 LEU 39 HD21 LEU 39 8.317 -6.007 4.883 115 HD22 LEU 39 HD22 LEU 39 9.771 -5.217 4.272 116 HD23 LEU 39 HD23 LEU 39 9.520 -6.940 3.993 117 H ILE 40 HN ILE 40 7.000 -1.542 1.413 118 HA ILE 40 HA ILE 40 4.917 -0.577 3.146 119 HB ILE 40 HB ILE 40 7.151 0.595 1.610 120 HG12 ILE 40 HG12 ILE 40 5.896 1.362 4.252 121 HG13 ILE 40 HG11 ILE 40 7.155 0.146 4.065 122 HG21 ILE 40 HG21 ILE 40 6.208 2.905 1.821 123 HG22 ILE 40 HG22 ILE 40 4.634 2.165 2.116 124 HG23 ILE 40 HG23 ILE 40 5.460 1.901 0.578 125 HD11 ILE 40 HD11 ILE 40 8.684 1.839 3.229 126 HD12 ILE 40 HD12 ILE 40 8.053 2.282 4.816 127 HD13 ILE 40 HD13 ILE 40 7.419 3.061 3.366 128 H VAL 41 HN VAL 41 5.572 -0.425 -0.337 129 HA VAL 41 HA VAL 41 3.226 0.845 -1.134 130 HB VAL 41 HB VAL 41 5.450 0.015 -2.435 131 HG11 VAL 41 HG11 VAL 41 4.634 -2.293 -2.526 132 HG12 VAL 41 HG12 VAL 41 4.845 -1.591 -4.129 133 HG13 VAL 41 HG13 VAL 41 3.230 -1.742 -3.437 134 HG21 VAL 41 HG21 VAL 41 4.361 0.831 -4.480 135 HG22 VAL 41 HG22 VAL 41 4.025 1.868 -3.094 136 HG23 VAL 41 HG23 VAL 41 2.797 0.742 -3.672 137 H ALA 42 HN ALA 42 3.826 -2.461 -0.261 138 HA ALA 42 HA ALA 42 1.537 -3.611 -1.471 139 HB1 ALA 42 HB1 ALA 42 3.458 -4.945 -0.747 140 HB2 ALA 42 HB2 ALA 42 1.958 -5.523 -0.021 141 HB3 ALA 42 HB3 ALA 42 3.089 -4.563 0.934 142 H GLY 43 HN GLY 43 2.116 -2.037 1.614 143 HA2 GLY 43 HA2 GLY 43 -0.391 -2.786 2.777 144 HA3 GLY 43 HA1 GLY 43 0.708 -1.551 3.376 145 H ALA 44 HN ALA 44 0.748 -0.054 0.891 146 HA ALA 44 HA ALA 44 -1.465 1.646 1.369 147 HB1 ALA 44 HB1 ALA 44 0.408 1.597 -0.997 148 HB2 ALA 44 HB2 ALA 44 0.681 2.465 0.514 149 HB3 ALA 44 HB3 ALA 44 -0.657 2.927 -0.538 150 H THR 45 HN THR 45 -0.745 -0.720 -1.164 151 HA THR 45 HA THR 45 -3.067 -0.203 -2.709 152 HB THR 45 HB THR 45 -2.591 -2.404 -3.777 153 HG1 THR 45 HG1 THR 45 -0.177 -2.685 -2.462 154 HG21 THR 45 HG21 THR 45 -0.400 -1.774 -4.711 155 HG22 THR 45 HG22 THR 45 -0.210 -0.579 -3.427 156 HG23 THR 45 HG23 THR 45 -1.499 -0.398 -4.617 157 H THR 46 HN THR 46 -2.388 -2.295 0.016 158 HA THR 46 HA THR 46 -4.718 -3.911 -0.182 159 HB THR 46 HB THR 46 -3.061 -3.263 2.269 160 HG1 THR 46 HG1 THR 46 -1.694 -4.698 1.521 161 HG21 THR 46 HG21 THR 46 -4.989 -5.530 1.740 162 HG22 THR 46 HG22 THR 46 -5.258 -4.178 2.842 163 HG23 THR 46 HG23 THR 46 -3.981 -5.348 3.176 164 H LEU 47 HN LEU 47 -3.962 -0.947 1.617 165 HA LEU 47 HA LEU 47 -6.438 -0.791 2.978 166 HB2 LEU 47 HB2 LEU 47 -4.434 0.439 3.690 167 HB3 LEU 47 HB1 LEU 47 -4.515 1.417 2.237 168 HG LEU 47 HG LEU 47 -6.738 2.270 3.009 169 HD11 LEU 47 HD11 LEU 47 -7.343 1.964 5.353 170 HD12 LEU 47 HD12 LEU 47 -5.992 0.849 5.561 171 HD13 LEU 47 HD13 LEU 47 -7.327 0.426 4.489 172 HD21 LEU 47 HD21 LEU 47 -5.806 3.780 4.695 173 HD22 LEU 47 HD22 LEU 47 -4.703 3.566 3.335 174 HD23 LEU 47 HD23 LEU 47 -4.400 2.729 4.859 175 H PHE 48 HN PHE 48 -5.297 0.428 -0.116 176 HA PHE 48 HA PHE 48 -7.602 2.003 -0.689 177 HB2 PHE 48 HB2 PHE 48 -5.416 2.400 -1.765 178 HB3 PHE 48 HB1 PHE 48 -5.533 0.840 -2.567 179 HD1 PHE 48 HD1 PHE 48 -7.081 4.190 -2.335 180 HD2 PHE 48 HD2 PHE 48 -6.709 0.594 -4.581 181 HE1 PHE 48 HE1 PHE 48 -8.254 5.251 -4.220 182 HE2 PHE 48 HE2 PHE 48 -7.879 1.648 -6.470 183 HZ PHE 48 HZ PHE 48 -8.654 3.979 -6.292 184 H CYS 49 HN CYS 49 -6.631 -1.302 -1.338 185 HA CYS 49 HA CYS 49 -8.881 -1.869 -3.040 186 HB2 CYS 49 HB2 CYS 49 -6.675 -3.526 -1.840 187 HB3 CYS 49 HB1 CYS 49 -8.018 -4.280 -2.689 188 HG CYS 49 HG CYS 49 -5.459 -3.818 -4.158 189 H LEU 50 HN LEU 50 -8.211 -1.934 0.331 190 HA LEU 50 HA LEU 50 -10.022 -3.902 1.189 191 HB2 LEU 50 HB2 LEU 50 -8.173 -2.442 2.432 192 HB3 LEU 50 HB1 LEU 50 -9.577 -1.485 2.862 193 HG LEU 50 HG LEU 50 -10.616 -3.565 3.796 194 HD11 LEU 50 HD11 LEU 50 -9.386 -5.242 2.599 195 HD12 LEU 50 HD12 LEU 50 -9.057 -5.427 4.322 196 HD13 LEU 50 HD13 LEU 50 -7.861 -4.666 3.271 197 HD21 LEU 50 HD21 LEU 50 -9.521 -1.902 5.221 198 HD22 LEU 50 HD22 LEU 50 -7.980 -2.730 5.001 199 HD23 LEU 50 HD23 LEU 50 -9.300 -3.537 5.848 200 H LEU 51 HN LEU 51 -10.428 -0.433 0.635 201 HA LEU 51 HA LEU 51 -13.060 -0.231 1.616 202 HB2 LEU 51 HB2 LEU 51 -11.683 1.433 -0.493 203 HB3 LEU 51 HB1 LEU 51 -13.165 1.870 0.336 204 HG LEU 51 HG LEU 51 -10.473 1.515 1.660 205 HD11 LEU 51 HD11 LEU 51 -10.522 3.473 0.221 206 HD12 LEU 51 HD12 LEU 51 -10.527 3.947 1.920 207 HD13 LEU 51 HD13 LEU 51 -12.019 4.012 0.981 208 HD21 LEU 51 HD21 LEU 51 -11.578 2.522 3.611 209 HD22 LEU 51 HD22 LEU 51 -12.304 0.978 3.163 210 HD23 LEU 51 HD23 LEU 51 -13.115 2.488 2.747 211 H HIS 52 HN HIS 52 -11.807 -0.856 -1.641 212 HA HIS 52 HA HIS 52 -14.386 -0.896 -2.863 213 HB2 HIS 52 HB2 HIS 52 -11.701 -1.906 -3.813 214 HB3 HIS 52 HB1 HIS 52 -13.156 -1.894 -4.806 215 HD1 HIS 52 HD1 HIS 52 -13.279 0.068 -6.293 216 HD2 HIS 52 HD2 HIS 52 -11.210 0.926 -2.793 217 HE1 HIS 52 HE1 HIS 52 -12.532 2.459 -6.521 218 HE2 HIS 52 HE2 HIS 52 -11.239 2.941 -4.413 219 H PHE 53 HN PHE 53 -12.752 -3.092 -0.896 220 HA PHE 53 HA PHE 53 -13.466 -5.567 -1.983 221 HB2 PHE 53 HB2 PHE 53 -11.905 -5.125 -0.028 222 HB3 PHE 53 HB1 PHE 53 -13.344 -4.957 0.972 223 HD1 PHE 53 HD1 PHE 53 -11.276 -7.280 -0.959 224 HD2 PHE 53 HD2 PHE 53 -14.659 -6.872 1.590 225 HE1 PHE 53 HE1 PHE 53 -11.315 -9.718 -0.625 226 HE2 PHE 53 HE2 PHE 53 -14.704 -9.308 1.928 227 HZ PHE 53 HZ PHE 53 -13.029 -10.735 0.820 228 H GLY 54 HN GLY 54 -15.363 -3.158 -0.400 229 HA2 GLY 54 HA2 GLY 54 -17.778 -3.288 -0.853 230 HA3 GLY 54 HA1 GLY 54 -17.677 -4.997 -0.455 231 H VAL 55 HN VAL 55 -15.937 -2.611 1.395 232 HA VAL 55 HA VAL 55 -17.234 -3.439 3.804 233 HB VAL 55 HB VAL 55 -15.339 -1.125 3.419 234 HG11 VAL 55 HG11 VAL 55 -16.085 -2.699 5.882 235 HG12 VAL 55 HG12 VAL 55 -16.573 -1.044 5.518 236 HG13 VAL 55 HG13 VAL 55 -14.873 -1.420 5.804 237 HG21 VAL 55 HG21 VAL 55 -14.317 -3.170 2.610 238 HG22 VAL 55 HG22 VAL 55 -14.755 -4.006 4.100 239 HG23 VAL 55 HG23 VAL 55 -13.581 -2.690 4.139 240 H ILE 56 HN ILE 56 -17.070 -0.365 2.057 241 HA ILE 56 HA ILE 56 -19.470 0.509 3.516 242 HB ILE 56 HB ILE 56 -18.771 2.832 2.834 243 HG12 ILE 56 HG12 ILE 56 -16.155 1.437 2.222 244 HG13 ILE 56 HG11 ILE 56 -17.238 2.122 1.016 245 HG21 ILE 56 HG21 ILE 56 -17.109 3.033 4.625 246 HG22 ILE 56 HG22 ILE 56 -16.905 1.281 4.627 247 HG23 ILE 56 HG23 ILE 56 -18.450 1.988 5.096 248 HD11 ILE 56 HD11 ILE 56 -15.376 3.604 1.454 249 HD12 ILE 56 HD12 ILE 56 -15.790 3.648 3.168 250 HD13 ILE 56 HD13 ILE 56 -16.890 4.343 1.977 251 H GLY 57 HN GLY 57 -18.201 -0.273 0.468 252 HA2 GLY 57 HA2 GLY 57 -19.098 -0.281 -1.647 253 HA3 GLY 57 HA1 GLY 57 -20.662 -0.230 -0.849 254 HA PRO 58 HA PRO 58 -20.073 3.808 -3.063 255 HB2 PRO 58 HB2 PRO 58 -21.984 3.604 -4.915 256 HB3 PRO 58 HB1 PRO 58 -20.415 2.815 -5.131 257 HG2 PRO 58 HG2 PRO 58 -23.029 1.639 -4.276 258 HG3 PRO 58 HG1 PRO 58 -21.807 0.974 -5.375 259 HD2 PRO 58 HD2 PRO 58 -22.081 0.282 -2.708 260 HD3 PRO 58 HD1 PRO 58 -20.600 0.075 -3.661 261 H GLN 59 HN GLN 59 -21.758 2.895 -0.693 262 HA GLN 59 HA GLN 59 -23.608 5.148 -0.778 263 HB2 GLN 59 HB2 GLN 59 -24.925 3.188 -1.513 264 HB3 GLN 59 HB1 GLN 59 -24.500 2.358 -0.022 265 HG2 GLN 59 HG2 GLN 59 -25.620 4.203 1.231 266 HG3 GLN 59 HG1 GLN 59 -26.176 4.836 -0.317 267 HE21 GLN 59 HE21 GLN 59 -26.526 2.152 -1.440 268 HE22 GLN 59 HE22 GLN 59 -27.968 1.526 -0.724 269 H ARG 60 HN ARG 60 -23.777 6.188 1.135 270 HA ARG 60 HA ARG 60 -23.095 4.845 3.612 271 HB2 ARG 60 HB2 ARG 60 -21.458 6.702 4.202 272 HB3 ARG 60 HB1 ARG 60 -20.900 5.496 3.053 273 HG2 ARG 60 HG2 ARG 60 -21.294 7.015 1.213 274 HG3 ARG 60 HG1 ARG 60 -21.966 8.215 2.318 275 HD2 ARG 60 HD2 ARG 60 -19.137 7.170 2.320 276 HD3 ARG 60 HD1 ARG 60 -19.660 8.756 1.754 277 HE ARG 60 HE ARG 60 -20.526 8.794 4.273 278 HH11 ARG 60 HH11 ARG 60 -17.461 7.815 2.936 279 HH12 ARG 60 HH12 ARG 60 -16.558 8.259 4.347 280 HH21 ARG 60 HH21 ARG 60 -19.348 9.380 6.133 281 HH22 ARG 60 HH22 ARG 60 -17.632 9.149 6.164 Start of MODEL 18 1 H1 ARG 28 HT1 ARG 28 21.679 7.917 3.298 2 H2 ARG 28 HT2 ARG 28 21.021 9.426 2.910 3 H3 ARG 28 HT3 ARG 28 22.486 8.939 2.219 4 HA ARG 28 HA ARG 28 19.869 7.632 1.780 5 HB2 ARG 28 HB2 ARG 28 20.040 8.560 -0.513 6 HB3 ARG 28 HB1 ARG 28 19.888 9.805 0.719 7 HG2 ARG 28 HG2 ARG 28 22.591 9.000 -0.264 8 HG3 ARG 28 HG1 ARG 28 21.589 10.098 -1.215 9 HD2 ARG 28 HD2 ARG 28 21.396 11.567 0.773 10 HD3 ARG 28 HD1 ARG 28 22.503 10.496 1.633 11 HE ARG 28 HE ARG 28 23.703 11.305 -0.771 12 HH11 ARG 28 HH11 ARG 28 22.745 12.621 2.313 13 HH12 ARG 28 HH12 ARG 28 23.967 13.848 2.312 14 HH21 ARG 28 HH21 ARG 28 25.311 12.919 -0.780 15 HH22 ARG 28 HH22 ARG 28 25.425 14.018 0.554 16 H ARG 29 HN ARG 29 22.121 6.224 2.648 17 HA ARG 29 HA ARG 29 23.686 5.198 0.527 18 HB2 ARG 29 HB2 ARG 29 22.997 3.923 3.182 19 HB3 ARG 29 HB1 ARG 29 24.288 3.407 2.105 20 HG2 ARG 29 HG2 ARG 29 25.407 5.556 2.412 21 HG3 ARG 29 HG1 ARG 29 24.110 6.075 3.491 22 HD2 ARG 29 HD2 ARG 29 24.650 4.226 5.011 23 HD3 ARG 29 HD1 ARG 29 25.957 3.732 3.936 24 HE ARG 29 HE ARG 29 26.385 6.400 4.598 25 HH11 ARG 29 HH11 ARG 29 26.282 3.302 6.192 26 HH12 ARG 29 HH12 ARG 29 27.407 3.757 7.428 27 HH21 ARG 29 HH21 ARG 29 27.869 7.005 6.220 28 HH22 ARG 29 HH22 ARG 29 28.308 5.861 7.445 29 H CYS 30 HN CYS 30 23.276 3.675 -0.957 30 HA CYS 30 HA CYS 30 20.623 2.521 -1.057 31 HB2 CYS 30 HB2 CYS 30 21.343 1.663 -3.271 32 HB3 CYS 30 HB1 CYS 30 21.550 3.404 -3.114 33 HG CYS 30 HG CYS 30 23.858 3.130 -4.251 34 H LEU 31 HN LEU 31 20.099 0.580 -0.326 35 HA LEU 31 HA LEU 31 21.883 -1.661 -0.507 36 HB2 LEU 31 HB2 LEU 31 21.856 -0.118 1.895 37 HB3 LEU 31 HB1 LEU 31 21.118 -1.672 2.229 38 HG LEU 31 HG LEU 31 23.849 -1.306 0.993 39 HD11 LEU 31 HD11 LEU 31 23.816 -0.507 3.291 40 HD12 LEU 31 HD12 LEU 31 24.712 -2.021 3.165 41 HD13 LEU 31 HD13 LEU 31 23.074 -2.017 3.818 42 HD21 LEU 31 HD21 LEU 31 22.433 -3.756 2.041 43 HD22 LEU 31 HD22 LEU 31 24.103 -3.697 1.476 44 HD23 LEU 31 HD23 LEU 31 22.780 -3.395 0.349 45 H PHE 32 HN PHE 32 19.102 -0.652 1.492 46 HA PHE 32 HA PHE 32 17.500 -2.737 0.192 47 HB2 PHE 32 HB2 PHE 32 17.736 -2.313 3.177 48 HB3 PHE 32 HB1 PHE 32 16.517 -3.328 2.413 49 HD1 PHE 32 HD1 PHE 32 19.714 -3.263 3.871 50 HD2 PHE 32 HD2 PHE 32 17.443 -5.190 0.830 51 HE1 PHE 32 HE1 PHE 32 21.273 -5.166 3.916 52 HE2 PHE 32 HE2 PHE 32 18.999 -7.096 0.871 53 HZ PHE 32 HZ PHE 32 20.917 -7.085 2.416 54 H LEU 33 HN LEU 33 17.777 0.355 0.402 55 HA LEU 33 HA LEU 33 15.317 1.245 1.517 56 HB2 LEU 33 HB2 LEU 33 17.281 2.706 1.281 57 HB3 LEU 33 HB1 LEU 33 17.127 2.629 -0.462 58 HG LEU 33 HG LEU 33 14.892 3.717 -0.265 59 HD11 LEU 33 HD11 LEU 33 14.298 4.806 1.831 60 HD12 LEU 33 HD12 LEU 33 15.703 4.084 2.615 61 HD13 LEU 33 HD13 LEU 33 14.393 3.058 2.034 62 HD21 LEU 33 HD21 LEU 33 17.212 5.237 0.919 63 HD22 LEU 33 HD22 LEU 33 15.771 5.950 0.195 64 HD23 LEU 33 HD23 LEU 33 16.888 5.014 -0.799 65 HA PRO 34 HA PRO 34 13.999 1.447 -3.242 66 HB2 PRO 34 HB2 PRO 34 15.452 -1.005 -4.101 67 HB3 PRO 34 HB1 PRO 34 15.124 0.482 -4.998 68 HG2 PRO 34 HG2 PRO 34 17.558 -0.008 -4.054 69 HG3 PRO 34 HG1 PRO 34 16.877 1.629 -3.992 70 HD2 PRO 34 HD2 PRO 34 17.159 -0.393 -1.805 71 HD3 PRO 34 HD1 PRO 34 17.393 1.365 -1.752 72 H LEU 35 HN LEU 35 14.751 -1.621 -1.631 73 HA LEU 35 HA LEU 35 12.275 -2.840 -2.484 74 HB2 LEU 35 HB2 LEU 35 14.319 -4.173 -2.214 75 HB3 LEU 35 HB1 LEU 35 14.358 -3.777 -0.508 76 HG LEU 35 HG LEU 35 11.888 -5.086 -1.493 77 HD11 LEU 35 HD11 LEU 35 12.911 -7.309 -1.385 78 HD12 LEU 35 HD12 LEU 35 14.500 -6.565 -1.206 79 HD13 LEU 35 HD13 LEU 35 13.586 -6.343 -2.697 80 HD21 LEU 35 HD21 LEU 35 12.060 -6.222 0.657 81 HD22 LEU 35 HD22 LEU 35 12.189 -4.475 0.857 82 HD23 LEU 35 HD23 LEU 35 13.635 -5.481 0.934 83 H PHE 36 HN PHE 36 13.388 -0.953 0.155 84 HA PHE 36 HA PHE 36 11.635 -1.801 2.181 85 HB2 PHE 36 HB2 PHE 36 13.674 -0.234 2.332 86 HB3 PHE 36 HB1 PHE 36 12.561 1.046 1.862 87 HD1 PHE 36 HD1 PHE 36 13.456 -1.350 4.487 88 HD2 PHE 36 HD2 PHE 36 10.890 1.858 3.376 89 HE1 PHE 36 HE1 PHE 36 12.760 -1.098 6.834 90 HE2 PHE 36 HE2 PHE 36 10.190 2.116 5.721 91 HZ PHE 36 HZ PHE 36 11.146 0.635 7.460 92 H SER 37 HN SER 37 11.165 0.247 -0.596 93 HA SER 37 HA SER 37 8.719 1.419 0.330 94 HB2 SER 37 HB2 SER 37 9.694 1.232 -2.512 95 HB3 SER 37 HB1 SER 37 8.523 2.372 -1.865 96 HG SER 37 HG SER 37 10.391 2.974 -0.415 97 H PHE 38 HN PHE 38 9.587 -1.566 -1.115 98 HA PHE 38 HA PHE 38 7.103 -2.152 -2.364 99 HB2 PHE 38 HB2 PHE 38 9.425 -3.822 -1.485 100 HB3 PHE 38 HB1 PHE 38 7.967 -4.573 -2.112 101 HD1 PHE 38 HD1 PHE 38 10.447 -1.931 -2.976 102 HD2 PHE 38 HD2 PHE 38 7.804 -4.956 -4.377 103 HE1 PHE 38 HE1 PHE 38 11.270 -1.582 -5.268 104 HE2 PHE 38 HE2 PHE 38 8.623 -4.615 -6.672 105 HZ PHE 38 HZ PHE 38 10.340 -2.916 -7.125 106 H LEU 39 HN LEU 39 8.404 -2.579 0.856 107 HA LEU 39 HA LEU 39 6.179 -4.134 1.805 108 HB2 LEU 39 HB2 LEU 39 8.440 -2.701 3.199 109 HB3 LEU 39 HB1 LEU 39 7.176 -3.541 4.076 110 HG LEU 39 HG LEU 39 7.844 -5.631 2.806 111 HD11 LEU 39 HD11 LEU 39 10.123 -5.663 1.893 112 HD12 LEU 39 HD12 LEU 39 10.225 -3.916 2.118 113 HD13 LEU 39 HD13 LEU 39 9.055 -4.592 0.984 114 HD21 LEU 39 HD21 LEU 39 8.442 -5.261 5.136 115 HD22 LEU 39 HD22 LEU 39 9.870 -4.355 4.637 116 HD23 LEU 39 HD23 LEU 39 9.748 -6.077 4.274 117 H ILE 40 HN ILE 40 6.952 -0.858 1.318 118 HA ILE 40 HA ILE 40 4.933 0.216 3.094 119 HB ILE 40 HB ILE 40 6.945 1.395 1.202 120 HG12 ILE 40 HG12 ILE 40 6.377 1.926 4.124 121 HG13 ILE 40 HG11 ILE 40 7.560 0.762 3.536 122 HG21 ILE 40 HG21 ILE 40 6.078 3.650 1.774 123 HG22 ILE 40 HG22 ILE 40 4.651 2.880 2.468 124 HG23 ILE 40 HG23 ILE 40 5.001 2.707 0.746 125 HD11 ILE 40 HD11 ILE 40 7.618 3.735 3.070 126 HD12 ILE 40 HD12 ILE 40 8.799 2.575 2.462 127 HD13 ILE 40 HD13 ILE 40 8.627 2.831 4.198 128 H VAL 41 HN VAL 41 5.330 -0.656 -0.237 129 HA VAL 41 HA VAL 41 2.947 0.725 -1.118 130 HB VAL 41 HB VAL 41 5.127 0.295 -2.471 131 HG11 VAL 41 HG11 VAL 41 3.595 -2.235 -2.967 132 HG12 VAL 41 HG12 VAL 41 5.178 -2.090 -2.210 133 HG13 VAL 41 HG13 VAL 41 4.975 -1.679 -3.912 134 HG21 VAL 41 HG21 VAL 41 3.836 0.378 -4.567 135 HG22 VAL 41 HG22 VAL 41 3.197 1.478 -3.345 136 HG23 VAL 41 HG23 VAL 41 2.380 -0.050 -3.668 137 H ALA 42 HN ALA 42 3.962 -2.481 -0.240 138 HA ALA 42 HA ALA 42 1.840 -3.975 -1.278 139 HB1 ALA 42 HB1 ALA 42 3.408 -4.492 1.247 140 HB2 ALA 42 HB2 ALA 42 3.879 -4.985 -0.379 141 HB3 ALA 42 HB3 ALA 42 2.437 -5.673 0.367 142 H GLY 43 HN GLY 43 2.113 -2.103 1.688 143 HA2 GLY 43 HA2 GLY 43 -0.410 -3.027 2.738 144 HA3 GLY 43 HA1 GLY 43 0.594 -1.747 3.402 145 H ALA 44 HN ALA 44 0.706 -0.337 0.814 146 HA ALA 44 HA ALA 44 -1.608 1.289 1.171 147 HB1 ALA 44 HB1 ALA 44 -0.728 2.593 -0.702 148 HB2 ALA 44 HB2 ALA 44 0.461 1.330 -1.023 149 HB3 ALA 44 HB3 ALA 44 0.528 2.241 0.486 150 H THR 45 HN THR 45 -0.807 -1.385 -0.883 151 HA THR 45 HA THR 45 -2.896 -0.880 -2.803 152 HB THR 45 HB THR 45 -2.351 -3.200 -3.611 153 HG1 THR 45 HG1 THR 45 -0.126 -3.786 -2.610 154 HG21 THR 45 HG21 THR 45 -1.284 -1.245 -4.595 155 HG22 THR 45 HG22 THR 45 -0.140 -2.585 -4.502 156 HG23 THR 45 HG23 THR 45 -0.049 -1.265 -3.336 157 H THR 46 HN THR 46 -2.357 -3.304 -0.243 158 HA THR 46 HA THR 46 -4.801 -4.633 -0.471 159 HB THR 46 HB THR 46 -3.267 -4.186 2.099 160 HG1 THR 46 HG1 THR 46 -2.898 -6.549 0.724 161 HG21 THR 46 HG21 THR 46 -5.108 -6.422 1.237 162 HG22 THR 46 HG22 THR 46 -5.510 -5.148 2.389 163 HG23 THR 46 HG23 THR 46 -4.249 -6.319 2.774 164 H LEU 47 HN LEU 47 -3.899 -1.793 1.433 165 HA LEU 47 HA LEU 47 -6.396 -1.498 2.743 166 HB2 LEU 47 HB2 LEU 47 -4.148 -0.495 3.396 167 HB3 LEU 47 HB1 LEU 47 -4.424 0.702 2.147 168 HG LEU 47 HG LEU 47 -6.475 0.318 4.295 169 HD11 LEU 47 HD11 LEU 47 -4.384 0.531 5.503 170 HD12 LEU 47 HD12 LEU 47 -5.320 2.020 5.641 171 HD13 LEU 47 HD13 LEU 47 -3.946 1.941 4.538 172 HD21 LEU 47 HD21 LEU 47 -7.062 1.751 2.445 173 HD22 LEU 47 HD22 LEU 47 -5.563 2.658 2.626 174 HD23 LEU 47 HD23 LEU 47 -6.798 2.736 3.883 175 H PHE 48 HN PHE 48 -5.058 -0.292 -0.272 176 HA PHE 48 HA PHE 48 -6.951 1.647 -0.915 177 HB2 PHE 48 HB2 PHE 48 -4.875 1.345 -2.174 178 HB3 PHE 48 HB1 PHE 48 -5.439 -0.215 -2.762 179 HD1 PHE 48 HD1 PHE 48 -6.027 3.424 -2.911 180 HD2 PHE 48 HD2 PHE 48 -6.857 -0.374 -4.640 181 HE1 PHE 48 HE1 PHE 48 -7.045 4.537 -4.855 182 HE2 PHE 48 HE2 PHE 48 -7.876 0.730 -6.588 183 HZ PHE 48 HZ PHE 48 -7.971 3.189 -6.697 184 H CYS 49 HN CYS 49 -6.859 -1.697 -2.155 185 HA CYS 49 HA CYS 49 -9.472 -1.618 -3.225 186 HB2 CYS 49 HB2 CYS 49 -7.787 -3.212 -4.010 187 HB3 CYS 49 HB1 CYS 49 -7.780 -4.001 -2.437 188 HG CYS 49 HG CYS 49 -9.157 -5.750 -3.977 189 H LEU 50 HN LEU 50 -8.280 -2.173 -0.042 190 HA LEU 50 HA LEU 50 -10.238 -3.783 1.079 191 HB2 LEU 50 HB2 LEU 50 -8.056 -2.644 2.059 192 HB3 LEU 50 HB1 LEU 50 -9.214 -1.469 2.650 193 HG LEU 50 HG LEU 50 -10.444 -3.337 3.768 194 HD11 LEU 50 HD11 LEU 50 -8.017 -4.923 2.938 195 HD12 LEU 50 HD12 LEU 50 -9.676 -5.181 2.398 196 HD13 LEU 50 HD13 LEU 50 -9.245 -5.459 4.085 197 HD21 LEU 50 HD21 LEU 50 -8.810 -3.597 5.589 198 HD22 LEU 50 HD22 LEU 50 -8.928 -1.929 5.029 199 HD23 LEU 50 HD23 LEU 50 -7.558 -2.929 4.543 200 H LEU 51 HN LEU 51 -10.229 -0.254 0.684 201 HA LEU 51 HA LEU 51 -12.729 0.158 1.956 202 HB2 LEU 51 HB2 LEU 51 -11.291 1.885 -0.059 203 HB3 LEU 51 HB1 LEU 51 -12.647 2.394 0.927 204 HG LEU 51 HG LEU 51 -9.929 1.586 1.968 205 HD11 LEU 51 HD11 LEU 51 -11.249 4.285 1.733 206 HD12 LEU 51 HD12 LEU 51 -9.856 3.714 0.814 207 HD13 LEU 51 HD13 LEU 51 -9.722 3.961 2.555 208 HD21 LEU 51 HD21 LEU 51 -12.371 2.633 3.396 209 HD22 LEU 51 HD22 LEU 51 -10.776 2.435 4.122 210 HD23 LEU 51 HD23 LEU 51 -11.669 1.024 3.556 211 H HIS 52 HN HIS 52 -11.779 -0.403 -1.393 212 HA HIS 52 HA HIS 52 -14.385 0.094 -2.462 213 HB2 HIS 52 HB2 HIS 52 -11.995 -1.326 -3.654 214 HB3 HIS 52 HB1 HIS 52 -13.459 -0.908 -4.541 215 HD1 HIS 52 HD1 HIS 52 -10.181 0.351 -3.771 216 HD2 HIS 52 HD2 HIS 52 -13.902 2.041 -4.521 217 HE1 HIS 52 HE1 HIS 52 -9.722 2.748 -4.375 218 HE2 HIS 52 HE2 HIS 52 -11.994 3.772 -4.744 219 H PHE 53 HN PHE 53 -13.040 -2.470 -0.740 220 HA PHE 53 HA PHE 53 -14.265 -4.699 -1.930 221 HB2 PHE 53 HB2 PHE 53 -12.484 -4.878 -0.241 222 HB3 PHE 53 HB1 PHE 53 -13.581 -4.253 0.985 223 HD1 PHE 53 HD1 PHE 53 -13.487 -6.980 -1.566 224 HD2 PHE 53 HD2 PHE 53 -14.570 -5.782 2.372 225 HE1 PHE 53 HE1 PHE 53 -14.242 -9.272 -1.080 226 HE2 PHE 53 HE2 PHE 53 -15.325 -8.071 2.865 227 HZ PHE 53 HZ PHE 53 -15.161 -9.819 1.137 228 H GLY 54 HN GLY 54 -15.583 -2.096 -0.147 229 HA2 GLY 54 HA2 GLY 54 -18.013 -1.829 -0.336 230 HA3 GLY 54 HA1 GLY 54 -18.154 -3.541 0.031 231 H VAL 55 HN VAL 55 -15.866 -1.557 1.741 232 HA VAL 55 HA VAL 55 -17.092 -2.196 4.247 233 HB VAL 55 HB VAL 55 -14.821 -0.279 3.710 234 HG11 VAL 55 HG11 VAL 55 -15.822 0.019 5.905 235 HG12 VAL 55 HG12 VAL 55 -14.223 -0.711 6.051 236 HG13 VAL 55 HG13 VAL 55 -15.667 -1.707 6.229 237 HG21 VAL 55 HG21 VAL 55 -14.738 -3.223 4.374 238 HG22 VAL 55 HG22 VAL 55 -13.340 -2.154 4.252 239 HG23 VAL 55 HG23 VAL 55 -14.317 -2.494 2.824 240 H ILE 56 HN ILE 56 -17.149 0.495 2.074 241 HA ILE 56 HA ILE 56 -18.905 1.923 3.945 242 HB ILE 56 HB ILE 56 -18.085 4.066 2.939 243 HG12 ILE 56 HG12 ILE 56 -16.974 2.731 0.988 244 HG13 ILE 56 HG11 ILE 56 -16.195 4.185 1.597 245 HG21 ILE 56 HG21 ILE 56 -17.418 3.443 5.155 246 HG22 ILE 56 HG22 ILE 56 -16.027 4.135 4.320 247 HG23 ILE 56 HG23 ILE 56 -16.152 2.388 4.527 248 HD11 ILE 56 HD11 ILE 56 -14.671 2.262 1.152 249 HD12 ILE 56 HD12 ILE 56 -15.451 1.410 2.485 250 HD13 ILE 56 HD13 ILE 56 -14.581 2.912 2.788 251 H GLY 57 HN GLY 57 -18.337 0.773 0.790 252 HA2 GLY 57 HA2 GLY 57 -20.059 0.412 -0.789 253 HA3 GLY 57 HA1 GLY 57 -20.993 1.685 -0.020 254 HA PRO 58 HA PRO 58 -19.901 3.854 -3.840 255 HB2 PRO 58 HB2 PRO 58 -21.065 6.097 -2.259 256 HB3 PRO 58 HB1 PRO 58 -21.410 5.592 -3.918 257 HG2 PRO 58 HG2 PRO 58 -23.127 5.052 -1.963 258 HG3 PRO 58 HG1 PRO 58 -22.806 3.862 -3.239 259 HD2 PRO 58 HD2 PRO 58 -21.831 3.927 -0.415 260 HD3 PRO 58 HD1 PRO 58 -22.316 2.539 -1.411 261 H GLN 59 HN GLN 59 -19.179 4.882 -0.555 262 HA GLN 59 HA GLN 59 -17.458 6.055 0.360 263 HB2 GLN 59 HB2 GLN 59 -16.174 4.196 -0.638 264 HB3 GLN 59 HB1 GLN 59 -15.991 5.129 -2.118 265 HG2 GLN 59 HG2 GLN 59 -14.727 6.822 -0.902 266 HG3 GLN 59 HG1 GLN 59 -14.919 5.900 0.587 267 HE21 GLN 59 HE21 GLN 59 -12.493 6.705 -0.817 268 HE22 GLN 59 HE22 GLN 59 -11.631 5.247 -1.157 269 H ARG 60 HN ARG 60 -18.351 8.108 0.222 270 HA ARG 60 HA ARG 60 -17.805 9.713 -2.151 271 HB2 ARG 60 HB2 ARG 60 -19.339 10.360 0.372 272 HB3 ARG 60 HB1 ARG 60 -19.181 11.433 -1.012 273 HG2 ARG 60 HG2 ARG 60 -20.335 9.792 -2.413 274 HG3 ARG 60 HG1 ARG 60 -20.505 8.727 -1.015 275 HD2 ARG 60 HD2 ARG 60 -22.558 9.972 -1.401 276 HD3 ARG 60 HD1 ARG 60 -21.820 10.448 0.128 277 HE ARG 60 HE ARG 60 -20.880 12.234 -1.745 278 HH11 ARG 60 HH11 ARG 60 -23.994 11.267 -0.516 279 HH12 ARG 60 HH12 ARG 60 -24.724 12.815 -0.786 280 HH21 ARG 60 HH21 ARG 60 -21.832 14.274 -2.100 281 HH22 ARG 60 HH22 ARG 60 -23.495 14.523 -1.686 Start of MODEL 19 1 H1 ARG 28 HT1 ARG 28 28.148 2.155 0.113 2 H2 ARG 28 HT2 ARG 28 29.608 1.415 0.543 3 H3 ARG 28 HT3 ARG 28 28.342 0.486 -0.085 4 HA ARG 28 HA ARG 28 29.844 2.585 -1.535 5 HB2 ARG 28 HB2 ARG 28 31.067 0.438 -1.094 6 HB3 ARG 28 HB1 ARG 28 29.807 -0.405 -1.985 7 HG2 ARG 28 HG2 ARG 28 30.363 0.911 -3.984 8 HG3 ARG 28 HG1 ARG 28 31.659 1.701 -3.082 9 HD2 ARG 28 HD2 ARG 28 32.670 -0.534 -2.689 10 HD3 ARG 28 HD1 ARG 28 31.430 -1.234 -3.728 11 HE ARG 28 HE ARG 28 32.541 0.667 -5.295 12 HH11 ARG 28 HH11 ARG 28 33.865 -1.949 -3.413 13 HH12 ARG 28 HH12 ARG 28 35.223 -2.187 -4.460 14 HH21 ARG 28 HH21 ARG 28 34.327 0.363 -6.680 15 HH22 ARG 28 HH22 ARG 28 35.485 -0.873 -6.320 16 H ARG 29 HN ARG 29 27.087 0.493 -1.337 17 HA ARG 29 HA ARG 29 25.853 1.864 -3.566 18 HB2 ARG 29 HB2 ARG 29 27.076 -0.070 -4.589 19 HB3 ARG 29 HB1 ARG 29 26.089 -1.150 -3.616 20 HG2 ARG 29 HG2 ARG 29 25.203 -1.034 -5.845 21 HG3 ARG 29 HG1 ARG 29 24.074 -0.268 -4.728 22 HD2 ARG 29 HD2 ARG 29 24.875 1.927 -5.385 23 HD3 ARG 29 HD1 ARG 29 26.083 1.195 -6.440 24 HE ARG 29 HE ARG 29 23.950 0.198 -7.551 25 HH11 ARG 29 HH11 ARG 29 24.326 3.401 -6.230 26 HH12 ARG 29 HH12 ARG 29 23.185 4.122 -7.316 27 HH21 ARG 29 HH21 ARG 29 22.445 1.139 -8.983 28 HH22 ARG 29 HH22 ARG 29 22.117 2.837 -8.880 29 H CYS 30 HN CYS 30 23.567 1.614 -3.617 30 HA CYS 30 HA CYS 30 22.478 0.767 -1.032 31 HB2 CYS 30 HB2 CYS 30 21.269 2.501 -3.196 32 HB3 CYS 30 HB1 CYS 30 20.507 2.123 -1.655 33 HG CYS 30 HG CYS 30 21.325 4.606 -1.143 34 H LEU 31 HN LEU 31 21.438 -1.091 -0.873 35 HA LEU 31 HA LEU 31 19.810 -2.045 -3.105 36 HB2 LEU 31 HB2 LEU 31 21.929 -3.704 -1.736 37 HB3 LEU 31 HB1 LEU 31 20.699 -4.353 -2.803 38 HG LEU 31 HG LEU 31 21.761 -2.515 -4.447 39 HD11 LEU 31 HD11 LEU 31 24.039 -3.391 -2.679 40 HD12 LEU 31 HD12 LEU 31 23.412 -1.751 -2.834 41 HD13 LEU 31 HD13 LEU 31 24.194 -2.528 -4.209 42 HD21 LEU 31 HD21 LEU 31 23.037 -4.337 -5.445 43 HD22 LEU 31 HD22 LEU 31 21.449 -4.894 -4.918 44 HD23 LEU 31 HD23 LEU 31 22.879 -5.274 -3.959 45 H PHE 32 HN PHE 32 20.118 -1.354 0.097 46 HA PHE 32 HA PHE 32 18.018 -3.275 0.864 47 HB2 PHE 32 HB2 PHE 32 20.106 -1.930 2.588 48 HB3 PHE 32 HB1 PHE 32 18.782 -2.907 3.214 49 HD1 PHE 32 HD1 PHE 32 18.888 -5.268 3.203 50 HD2 PHE 32 HD2 PHE 32 21.860 -2.987 1.183 51 HE1 PHE 32 HE1 PHE 32 20.262 -7.293 2.945 52 HE2 PHE 32 HE2 PHE 32 23.236 -5.007 0.919 53 HZ PHE 32 HZ PHE 32 22.438 -7.165 1.801 54 H LEU 33 HN LEU 33 18.362 -0.207 -0.096 55 HA LEU 33 HA LEU 33 16.658 1.024 1.912 56 HB2 LEU 33 HB2 LEU 33 18.556 2.280 0.961 57 HB3 LEU 33 HB1 LEU 33 17.803 2.199 -0.620 58 HG LEU 33 HG LEU 33 15.858 3.476 0.318 59 HD11 LEU 33 HD11 LEU 33 16.196 4.698 2.407 60 HD12 LEU 33 HD12 LEU 33 17.714 3.837 2.667 61 HD13 LEU 33 HD13 LEU 33 16.187 2.955 2.673 62 HD21 LEU 33 HD21 LEU 33 17.578 4.574 -1.003 63 HD22 LEU 33 HD22 LEU 33 18.564 4.803 0.443 64 HD23 LEU 33 HD23 LEU 33 17.017 5.635 0.289 65 HA PRO 34 HA PRO 34 13.766 1.214 -1.980 66 HB2 PRO 34 HB2 PRO 34 14.711 -0.959 -3.706 67 HB3 PRO 34 HB1 PRO 34 14.349 0.718 -4.119 68 HG2 PRO 34 HG2 PRO 34 16.869 -0.229 -4.087 69 HG3 PRO 34 HG1 PRO 34 16.482 1.440 -3.627 70 HD2 PRO 34 HD2 PRO 34 17.034 -0.928 -1.874 71 HD3 PRO 34 HD1 PRO 34 17.608 0.745 -1.717 72 H LEU 35 HN LEU 35 15.074 -1.720 -0.671 73 HA LEU 35 HA LEU 35 12.916 -3.454 -1.225 74 HB2 LEU 35 HB2 LEU 35 15.372 -3.829 -0.246 75 HB3 LEU 35 HB1 LEU 35 14.494 -3.805 1.269 76 HG LEU 35 HG LEU 35 14.825 -6.087 0.478 77 HD11 LEU 35 HD11 LEU 35 11.937 -5.255 0.263 78 HD12 LEU 35 HD12 LEU 35 12.808 -5.560 1.766 79 HD13 LEU 35 HD13 LEU 35 12.539 -6.873 0.621 80 HD21 LEU 35 HD21 LEU 35 14.939 -5.644 -1.912 81 HD22 LEU 35 HD22 LEU 35 13.223 -5.235 -1.930 82 HD23 LEU 35 HD23 LEU 35 13.735 -6.882 -1.558 83 H PHE 36 HN PHE 36 13.619 -1.302 1.486 84 HA PHE 36 HA PHE 36 11.506 -2.121 3.153 85 HB2 PHE 36 HB2 PHE 36 13.447 -0.763 3.900 86 HB3 PHE 36 HB1 PHE 36 12.800 0.610 3.006 87 HD1 PHE 36 HD1 PHE 36 12.118 -1.703 5.810 88 HD2 PHE 36 HD2 PHE 36 11.156 1.994 3.935 89 HE1 PHE 36 HE1 PHE 36 10.782 -1.060 7.772 90 HE2 PHE 36 HE2 PHE 36 9.820 2.645 5.895 91 HZ PHE 36 HZ PHE 36 9.627 1.109 7.818 92 H SER 37 HN SER 37 11.590 -0.020 0.378 93 HA SER 37 HA SER 37 9.108 1.292 0.921 94 HB2 SER 37 HB2 SER 37 10.400 1.013 -1.780 95 HB3 SER 37 HB1 SER 37 9.318 2.285 -1.227 96 HG SER 37 HG SER 37 11.809 1.817 0.017 97 H PHE 38 HN PHE 38 10.045 -1.640 -0.754 98 HA PHE 38 HA PHE 38 7.707 -2.071 -2.226 99 HB2 PHE 38 HB2 PHE 38 9.771 -3.917 -1.089 100 HB3 PHE 38 HB1 PHE 38 8.355 -4.560 -1.911 101 HD1 PHE 38 HD1 PHE 38 7.877 -3.336 -4.249 102 HD2 PHE 38 HD2 PHE 38 11.666 -3.647 -2.342 103 HE1 PHE 38 HE1 PHE 38 8.991 -3.019 -6.420 104 HE2 PHE 38 HE2 PHE 38 12.788 -3.329 -4.508 105 HZ PHE 38 HZ PHE 38 11.449 -3.014 -6.552 106 H LEU 39 HN LEU 39 8.516 -2.891 1.114 107 HA LEU 39 HA LEU 39 6.066 -4.260 1.631 108 HB2 LEU 39 HB2 LEU 39 8.192 -3.091 3.422 109 HB3 LEU 39 HB1 LEU 39 6.755 -3.864 4.062 110 HG LEU 39 HG LEU 39 8.610 -5.412 4.103 111 HD11 LEU 39 HD11 LEU 39 6.398 -6.334 3.675 112 HD12 LEU 39 HD12 LEU 39 7.646 -7.267 2.849 113 HD13 LEU 39 HD13 LEU 39 6.641 -6.138 1.941 114 HD21 LEU 39 HD21 LEU 39 9.721 -6.158 2.067 115 HD22 LEU 39 HD22 LEU 39 9.946 -4.426 2.312 116 HD23 LEU 39 HD23 LEU 39 8.781 -5.004 1.120 117 H ILE 40 HN ILE 40 6.977 -1.007 1.377 118 HA ILE 40 HA ILE 40 4.894 0.067 3.064 119 HB ILE 40 HB ILE 40 7.058 1.217 1.361 120 HG12 ILE 40 HG12 ILE 40 6.122 1.795 4.179 121 HG13 ILE 40 HG11 ILE 40 7.417 0.682 3.749 122 HG21 ILE 40 HG21 ILE 40 5.173 2.515 0.628 123 HG22 ILE 40 HG22 ILE 40 6.164 3.494 1.708 124 HG23 ILE 40 HG23 ILE 40 4.660 2.781 2.295 125 HD11 ILE 40 HD11 ILE 40 7.389 3.660 3.328 126 HD12 ILE 40 HD12 ILE 40 8.664 2.575 2.774 127 HD13 ILE 40 HD13 ILE 40 8.351 2.758 4.500 128 H VAL 41 HN VAL 41 5.457 -0.486 -0.365 129 HA VAL 41 HA VAL 41 3.061 0.888 -1.191 130 HB VAL 41 HB VAL 41 4.821 -0.995 -2.775 131 HG11 VAL 41 HG11 VAL 41 3.832 0.095 -4.736 132 HG12 VAL 41 HG12 VAL 41 2.781 1.038 -3.678 133 HG13 VAL 41 HG13 VAL 41 2.609 -0.715 -3.757 134 HG21 VAL 41 HG21 VAL 41 5.923 0.974 -3.635 135 HG22 VAL 41 HG22 VAL 41 6.033 0.967 -1.876 136 HG23 VAL 41 HG23 VAL 41 4.871 2.020 -2.683 137 H ALA 42 HN ALA 42 3.985 -2.363 -0.353 138 HA ALA 42 HA ALA 42 1.868 -3.768 -1.559 139 HB1 ALA 42 HB1 ALA 42 3.889 -4.849 -0.677 140 HB2 ALA 42 HB2 ALA 42 2.416 -5.574 -0.033 141 HB3 ALA 42 HB3 ALA 42 3.364 -4.471 0.964 142 H GLY 43 HN GLY 43 2.200 -2.387 1.702 143 HA2 GLY 43 HA2 GLY 43 -0.361 -3.232 2.601 144 HA3 GLY 43 HA1 GLY 43 0.639 -1.993 3.346 145 H ALA 44 HN ALA 44 0.685 -0.583 0.652 146 HA ALA 44 HA ALA 44 -1.506 1.162 1.174 147 HB1 ALA 44 HB1 ALA 44 0.611 1.974 0.260 148 HB2 ALA 44 HB2 ALA 44 -0.742 2.387 -0.794 149 HB3 ALA 44 HB3 ALA 44 0.332 1.051 -1.217 150 H THR 45 HN THR 45 -0.878 -1.380 -1.182 151 HA THR 45 HA THR 45 -3.201 -0.876 -2.758 152 HB THR 45 HB THR 45 -2.761 -3.147 -3.711 153 HG1 THR 45 HG1 THR 45 -0.479 -3.839 -2.924 154 HG21 THR 45 HG21 THR 45 -0.625 -2.555 -4.765 155 HG22 THR 45 HG22 THR 45 -0.368 -1.310 -3.542 156 HG23 THR 45 HG23 THR 45 -1.709 -1.166 -4.679 157 H THR 46 HN THR 46 -2.471 -2.933 -0.003 158 HA THR 46 HA THR 46 -4.841 -4.484 -0.087 159 HB THR 46 HB THR 46 -3.114 -3.830 2.311 160 HG1 THR 46 HG1 THR 46 -2.528 -5.209 0.139 161 HG21 THR 46 HG21 THR 46 -5.021 -6.129 1.849 162 HG22 THR 46 HG22 THR 46 -5.339 -4.739 2.887 163 HG23 THR 46 HG23 THR 46 -4.035 -5.859 3.287 164 H LEU 47 HN LEU 47 -4.035 -1.372 1.298 165 HA LEU 47 HA LEU 47 -6.449 -1.148 2.844 166 HB2 LEU 47 HB2 LEU 47 -4.398 0.011 3.507 167 HB3 LEU 47 HB1 LEU 47 -4.423 0.933 2.016 168 HG LEU 47 HG LEU 47 -6.601 1.935 2.759 169 HD11 LEU 47 HD11 LEU 47 -7.196 1.775 5.116 170 HD12 LEU 47 HD12 LEU 47 -5.887 0.620 5.376 171 HD13 LEU 47 HD13 LEU 47 -7.251 0.191 4.342 172 HD21 LEU 47 HD21 LEU 47 -4.492 3.132 2.991 173 HD22 LEU 47 HD22 LEU 47 -4.214 2.360 4.552 174 HD23 LEU 47 HD23 LEU 47 -5.562 3.478 4.351 175 H PHE 48 HN PHE 48 -5.250 0.231 -0.194 176 HA PHE 48 HA PHE 48 -7.454 1.839 -0.795 177 HB2 PHE 48 HB2 PHE 48 -5.282 1.966 -1.967 178 HB3 PHE 48 HB1 PHE 48 -5.609 0.412 -2.723 179 HD1 PHE 48 HD1 PHE 48 -6.539 3.958 -2.614 180 HD2 PHE 48 HD2 PHE 48 -7.134 0.220 -4.559 181 HE1 PHE 48 HE1 PHE 48 -7.684 5.107 -4.463 182 HE2 PHE 48 HE2 PHE 48 -8.280 1.364 -6.413 183 HZ PHE 48 HZ PHE 48 -8.555 3.810 -6.367 184 H CYS 49 HN CYS 49 -6.830 -1.569 -1.441 185 HA CYS 49 HA CYS 49 -9.252 -1.914 -2.961 186 HB2 CYS 49 HB2 CYS 49 -7.286 -3.286 -3.453 187 HB3 CYS 49 HB1 CYS 49 -7.326 -3.952 -1.825 188 HG CYS 49 HG CYS 49 -9.999 -5.024 -2.339 189 H LEU 50 HN LEU 50 -8.317 -2.066 0.351 190 HA LEU 50 HA LEU 50 -10.224 -3.834 1.380 191 HB2 LEU 50 HB2 LEU 50 -8.204 -2.469 2.466 192 HB3 LEU 50 HB1 LEU 50 -9.514 -1.411 2.949 193 HG LEU 50 HG LEU 50 -10.627 -3.408 3.997 194 HD11 LEU 50 HD11 LEU 50 -7.939 -4.676 3.479 195 HD12 LEU 50 HD12 LEU 50 -9.472 -5.147 2.744 196 HD13 LEU 50 HD13 LEU 50 -9.225 -5.354 4.479 197 HD21 LEU 50 HD21 LEU 50 -9.424 -1.779 5.336 198 HD22 LEU 50 HD22 LEU 50 -7.904 -2.614 5.023 199 HD23 LEU 50 HD23 LEU 50 -9.165 -3.404 5.971 200 H LEU 51 HN LEU 51 -10.388 -0.348 0.796 201 HA LEU 51 HA LEU 51 -13.083 -0.124 1.756 202 HB2 LEU 51 HB2 LEU 51 -12.322 1.959 1.990 203 HB3 LEU 51 HB1 LEU 51 -10.941 1.631 0.965 204 HG LEU 51 HG LEU 51 -12.559 2.032 -1.002 205 HD11 LEU 51 HD11 LEU 51 -14.620 1.977 0.324 206 HD12 LEU 51 HD12 LEU 51 -14.426 3.515 -0.518 207 HD13 LEU 51 HD13 LEU 51 -14.084 3.404 1.209 208 HD21 LEU 51 HD21 LEU 51 -10.729 3.525 -0.418 209 HD22 LEU 51 HD22 LEU 51 -11.734 4.296 0.810 210 HD23 LEU 51 HD23 LEU 51 -12.156 4.445 -0.895 211 H HIS 52 HN HIS 52 -11.492 -0.483 -1.348 212 HA HIS 52 HA HIS 52 -13.710 0.089 -2.998 213 HB2 HIS 52 HB2 HIS 52 -11.397 0.054 -3.826 214 HB3 HIS 52 HB1 HIS 52 -11.311 -1.679 -3.530 215 HD1 HIS 52 HD1 HIS 52 -12.028 -3.169 -5.396 216 HD2 HIS 52 HD2 HIS 52 -13.286 0.753 -5.940 217 HE1 HIS 52 HE1 HIS 52 -13.004 -3.092 -7.712 218 HE2 HIS 52 HE2 HIS 52 -13.803 -0.720 -8.003 219 H PHE 53 HN PHE 53 -13.115 -2.479 -0.908 220 HA PHE 53 HA PHE 53 -14.165 -4.702 -2.201 221 HB2 PHE 53 HB2 PHE 53 -13.025 -4.722 0.006 222 HB3 PHE 53 HB1 PHE 53 -14.459 -3.997 0.724 223 HD1 PHE 53 HD1 PHE 53 -13.241 -6.998 -1.075 224 HD2 PHE 53 HD2 PHE 53 -16.244 -5.323 1.430 225 HE1 PHE 53 HE1 PHE 53 -14.189 -9.240 -0.719 226 HE2 PHE 53 HE2 PHE 53 -17.197 -7.562 1.792 227 HZ PHE 53 HZ PHE 53 -16.164 -9.526 0.718 228 H GLY 54 HN GLY 54 -15.777 -1.858 -1.139 229 HA2 GLY 54 HA2 GLY 54 -18.010 -1.527 -2.131 230 HA3 GLY 54 HA1 GLY 54 -18.375 -3.175 -1.646 231 H VAL 55 HN VAL 55 -16.592 -1.027 0.434 232 HA VAL 55 HA VAL 55 -18.705 -1.213 2.428 233 HB VAL 55 HB VAL 55 -16.105 0.222 2.834 234 HG11 VAL 55 HG11 VAL 55 -17.883 -1.383 4.667 235 HG12 VAL 55 HG12 VAL 55 -17.765 0.376 4.602 236 HG13 VAL 55 HG13 VAL 55 -16.384 -0.582 5.137 237 HG21 VAL 55 HG21 VAL 55 -16.505 -2.765 2.978 238 HG22 VAL 55 HG22 VAL 55 -15.071 -1.895 3.525 239 HG23 VAL 55 HG23 VAL 55 -15.500 -1.901 1.814 240 H ILE 56 HN ILE 56 -18.924 0.527 0.010 241 HA ILE 56 HA ILE 56 -19.066 3.153 1.307 242 HB ILE 56 HB ILE 56 -19.377 4.015 -1.066 243 HG12 ILE 56 HG12 ILE 56 -19.742 1.499 -1.825 244 HG13 ILE 56 HG11 ILE 56 -19.002 2.678 -2.899 245 HG21 ILE 56 HG21 ILE 56 -17.356 4.393 0.153 246 HG22 ILE 56 HG22 ILE 56 -16.936 3.942 -1.500 247 HG23 ILE 56 HG23 ILE 56 -16.782 2.763 -0.198 248 HD11 ILE 56 HD11 ILE 56 -17.376 0.859 -1.150 249 HD12 ILE 56 HD12 ILE 56 -16.853 1.796 -2.548 250 HD13 ILE 56 HD13 ILE 56 -17.911 0.403 -2.766 251 H GLY 57 HN GLY 57 -20.926 3.176 -1.473 252 HA2 GLY 57 HA2 GLY 57 -23.357 3.170 0.154 253 HA3 GLY 57 HA1 GLY 57 -23.191 3.865 -1.450 254 HA PRO 58 HA PRO 58 -25.198 0.258 -3.015 255 HB2 PRO 58 HB2 PRO 58 -24.312 0.223 -5.577 256 HB3 PRO 58 HB1 PRO 58 -25.489 1.401 -4.983 257 HG2 PRO 58 HG2 PRO 58 -22.547 1.714 -5.418 258 HG3 PRO 58 HG1 PRO 58 -23.860 2.847 -5.782 259 HD2 PRO 58 HD2 PRO 58 -22.271 3.065 -3.583 260 HD3 PRO 58 HD1 PRO 58 -23.953 3.625 -3.623 261 H GLN 59 HN GLN 59 -22.132 0.223 -2.104 262 HA GLN 59 HA GLN 59 -20.522 -1.349 -1.832 263 HB2 GLN 59 HB2 GLN 59 -22.746 -3.234 -2.622 264 HB3 GLN 59 HB1 GLN 59 -21.236 -3.704 -1.849 265 HG2 GLN 59 HG2 GLN 59 -21.823 -2.414 0.123 266 HG3 GLN 59 HG1 GLN 59 -23.313 -1.880 -0.654 267 HE21 GLN 59 HE21 GLN 59 -22.919 -3.364 1.826 268 HE22 GLN 59 HE22 GLN 59 -23.807 -4.836 1.649 269 H ARG 60 HN ARG 60 -20.419 -0.050 -4.265 270 HA ARG 60 HA ARG 60 -19.933 -2.106 -6.285 271 HB2 ARG 60 HB2 ARG 60 -19.805 0.908 -6.492 272 HB3 ARG 60 HB1 ARG 60 -19.608 -0.214 -7.831 273 HG2 ARG 60 HG2 ARG 60 -22.102 -0.005 -6.161 274 HG3 ARG 60 HG1 ARG 60 -21.852 0.846 -7.686 275 HD2 ARG 60 HD2 ARG 60 -23.037 -1.058 -8.312 276 HD3 ARG 60 HD1 ARG 60 -21.362 -1.481 -8.665 277 HE ARG 60 HE ARG 60 -21.605 -2.484 -6.226 278 HH11 ARG 60 HH11 ARG 60 -23.804 -2.642 -8.926 279 HH12 ARG 60 HH12 ARG 60 -24.467 -4.172 -8.460 280 HH21 ARG 60 HH21 ARG 60 -22.470 -4.496 -5.607 281 HH22 ARG 60 HH22 ARG 60 -23.710 -5.226 -6.573 Start of MODEL 20 1 H1 ARG 28 HT1 ARG 28 28.686 3.268 -2.470 2 H2 ARG 28 HT2 ARG 28 27.195 3.946 -2.887 3 H3 ARG 28 HT3 ARG 28 27.748 2.565 -3.690 4 HA ARG 28 HA ARG 28 27.616 1.289 -1.653 5 HB2 ARG 28 HB2 ARG 28 27.999 3.151 -0.103 6 HB3 ARG 28 HB1 ARG 28 26.439 3.840 -0.531 7 HG2 ARG 28 HG2 ARG 28 25.309 1.897 0.407 8 HG3 ARG 28 HG1 ARG 28 26.870 1.178 0.813 9 HD2 ARG 28 HD2 ARG 28 25.829 2.257 2.753 10 HD3 ARG 28 HD1 ARG 28 27.355 3.023 2.314 11 HE ARG 28 HE ARG 28 25.433 4.474 1.010 12 HH11 ARG 28 HH11 ARG 28 26.068 3.604 4.323 13 HH12 ARG 28 HH12 ARG 28 25.357 5.044 4.972 14 HH21 ARG 28 HH21 ARG 28 24.494 6.372 1.854 15 HH22 ARG 28 HH22 ARG 28 24.462 6.616 3.569 16 H ARG 29 HN ARG 29 25.824 0.006 -1.422 17 HA ARG 29 HA ARG 29 23.264 0.994 -2.437 18 HB2 ARG 29 HB2 ARG 29 24.439 -0.085 -4.332 19 HB3 ARG 29 HB1 ARG 29 24.564 -1.564 -3.392 20 HG2 ARG 29 HG2 ARG 29 22.754 -1.742 -4.967 21 HG3 ARG 29 HG1 ARG 29 22.111 -1.711 -3.325 22 HD2 ARG 29 HD2 ARG 29 21.502 0.611 -3.561 23 HD3 ARG 29 HD1 ARG 29 22.270 0.688 -5.147 24 HE ARG 29 HE ARG 29 20.434 -1.279 -5.440 25 HH11 ARG 29 HH11 ARG 29 20.262 2.005 -4.282 26 HH12 ARG 29 HH12 ARG 29 18.631 2.242 -4.813 27 HH21 ARG 29 HH21 ARG 29 18.287 -0.974 -6.139 28 HH22 ARG 29 HH22 ARG 29 17.507 0.547 -5.866 29 H CYS 30 HN CYS 30 21.789 0.590 -0.936 30 HA CYS 30 HA CYS 30 22.253 -1.287 1.176 31 HB2 CYS 30 HB2 CYS 30 19.750 0.273 0.499 32 HB3 CYS 30 HB1 CYS 30 20.058 -0.574 2.010 33 HG CYS 30 HG CYS 30 20.769 1.656 3.084 34 H LEU 31 HN LEU 31 21.198 -3.209 1.605 35 HA LEU 31 HA LEU 31 19.821 -4.407 -0.700 36 HB2 LEU 31 HB2 LEU 31 21.929 -5.486 0.006 37 HB3 LEU 31 HB1 LEU 31 21.235 -5.773 1.589 38 HG LEU 31 HG LEU 31 19.519 -7.224 0.554 39 HD11 LEU 31 HD11 LEU 31 19.807 -7.946 -1.767 40 HD12 LEU 31 HD12 LEU 31 21.106 -6.771 -1.970 41 HD13 LEU 31 HD13 LEU 31 19.460 -6.220 -1.660 42 HD21 LEU 31 HD21 LEU 31 22.370 -7.971 -0.083 43 HD22 LEU 31 HD22 LEU 31 21.014 -9.092 0.044 44 HD23 LEU 31 HD23 LEU 31 21.556 -8.198 1.465 45 H PHE 32 HN PHE 32 19.482 -3.508 2.609 46 HA PHE 32 HA PHE 32 17.094 -5.133 2.976 47 HB2 PHE 32 HB2 PHE 32 17.081 -4.116 5.267 48 HB3 PHE 32 HB1 PHE 32 18.543 -5.018 4.885 49 HD1 PHE 32 HD1 PHE 32 17.122 -1.650 5.321 50 HD2 PHE 32 HD2 PHE 32 20.661 -3.954 4.791 51 HE1 PHE 32 HE1 PHE 32 18.483 0.310 5.919 52 HE2 PHE 32 HE2 PHE 32 22.029 -1.997 5.387 53 HZ PHE 32 HZ PHE 32 20.939 0.139 5.954 54 H LEU 33 HN LEU 33 17.582 -2.521 1.265 55 HA LEU 33 HA LEU 33 15.345 -0.948 2.290 56 HB2 LEU 33 HB2 LEU 33 17.596 0.037 1.503 57 HB3 LEU 33 HB1 LEU 33 17.004 -0.255 -0.119 58 HG LEU 33 HG LEU 33 16.697 2.086 0.695 59 HD11 LEU 33 HD11 LEU 33 14.485 2.356 -0.194 60 HD12 LEU 33 HD12 LEU 33 14.113 0.659 0.102 61 HD13 LEU 33 HD13 LEU 33 15.318 1.098 -1.108 62 HD21 LEU 33 HD21 LEU 33 14.921 2.557 2.289 63 HD22 LEU 33 HD22 LEU 33 16.183 1.574 3.030 64 HD23 LEU 33 HD23 LEU 33 14.663 0.830 2.533 65 HA PRO 34 HA PRO 34 14.050 -2.055 -2.366 66 HB2 PRO 34 HB2 PRO 34 15.311 -4.755 -2.386 67 HB3 PRO 34 HB1 PRO 34 15.083 -3.610 -3.713 68 HG2 PRO 34 HG2 PRO 34 17.480 -3.939 -2.615 69 HG3 PRO 34 HG1 PRO 34 16.916 -2.325 -3.091 70 HD2 PRO 34 HD2 PRO 34 17.092 -3.548 -0.371 71 HD3 PRO 34 HD1 PRO 34 17.402 -1.877 -0.880 72 H LEU 35 HN LEU 35 14.548 -4.568 0.089 73 HA LEU 35 HA LEU 35 12.062 -5.882 -0.421 74 HB2 LEU 35 HB2 LEU 35 14.276 -6.712 0.755 75 HB3 LEU 35 HB1 LEU 35 13.488 -6.105 2.196 76 HG LEU 35 HG LEU 35 13.140 -8.505 1.946 77 HD11 LEU 35 HD11 LEU 35 10.592 -6.974 1.454 78 HD12 LEU 35 HD12 LEU 35 11.389 -7.163 3.015 79 HD13 LEU 35 HD13 LEU 35 10.732 -8.572 2.185 80 HD21 LEU 35 HD21 LEU 35 13.298 -8.631 -0.490 81 HD22 LEU 35 HD22 LEU 35 11.739 -7.818 -0.633 82 HD23 LEU 35 HD23 LEU 35 11.835 -9.415 0.109 83 H PHE 36 HN PHE 36 13.226 -3.628 2.053 84 HA PHE 36 HA PHE 36 10.902 -3.523 3.610 85 HB2 PHE 36 HB2 PHE 36 13.107 -2.653 4.318 86 HB3 PHE 36 HB1 PHE 36 12.944 -1.336 3.162 87 HD1 PHE 36 HD1 PHE 36 10.741 -2.858 5.770 88 HD2 PHE 36 HD2 PHE 36 12.503 0.665 4.162 89 HE1 PHE 36 HE1 PHE 36 9.595 -1.510 7.480 90 HE2 PHE 36 HE2 PHE 36 11.362 2.020 5.869 91 HZ PHE 36 HZ PHE 36 9.907 0.934 7.531 92 H SER 37 HN SER 37 11.579 -2.149 0.517 93 HA SER 37 HA SER 37 9.521 -0.133 0.700 94 HB2 SER 37 HB2 SER 37 11.035 -1.084 -1.725 95 HB3 SER 37 HB1 SER 37 10.062 0.378 -1.614 96 HG SER 37 HG SER 37 11.583 1.326 -0.435 97 H PHE 38 HN PHE 38 9.820 -3.394 -0.521 98 HA PHE 38 HA PHE 38 7.603 -3.451 -2.215 99 HB2 PHE 38 HB2 PHE 38 8.902 -5.619 -0.601 100 HB3 PHE 38 HB1 PHE 38 7.591 -5.934 -1.725 101 HD1 PHE 38 HD1 PHE 38 8.337 -4.084 -3.932 102 HD2 PHE 38 HD2 PHE 38 10.715 -6.707 -1.569 103 HE1 PHE 38 HE1 PHE 38 9.961 -4.266 -5.772 104 HE2 PHE 38 HE2 PHE 38 12.342 -6.891 -3.405 105 HZ PHE 38 HZ PHE 38 11.967 -5.668 -5.509 106 H LEU 39 HN LEU 39 7.756 -4.489 1.207 107 HA LEU 39 HA LEU 39 4.951 -4.903 1.346 108 HB2 LEU 39 HB2 LEU 39 5.799 -4.479 3.970 109 HB3 LEU 39 HB1 LEU 39 5.541 -6.006 3.163 110 HG LEU 39 HG LEU 39 7.671 -5.924 4.333 111 HD11 LEU 39 HD11 LEU 39 9.075 -6.250 2.058 112 HD12 LEU 39 HD12 LEU 39 7.428 -6.412 1.452 113 HD13 LEU 39 HD13 LEU 39 7.999 -7.462 2.746 114 HD21 LEU 39 HD21 LEU 39 8.066 -3.509 4.085 115 HD22 LEU 39 HD22 LEU 39 8.452 -3.770 2.383 116 HD23 LEU 39 HD23 LEU 39 9.461 -4.490 3.637 117 H ILE 40 HN ILE 40 6.935 -2.136 1.559 118 HA ILE 40 HA ILE 40 5.173 -0.511 3.112 119 HB ILE 40 HB ILE 40 7.649 -0.082 1.548 120 HG12 ILE 40 HG12 ILE 40 6.625 1.040 4.166 121 HG13 ILE 40 HG11 ILE 40 7.619 -0.403 3.993 122 HG21 ILE 40 HG21 ILE 40 5.701 2.170 2.026 123 HG22 ILE 40 HG22 ILE 40 6.292 1.586 0.470 124 HG23 ILE 40 HG23 ILE 40 7.397 2.382 1.591 125 HD11 ILE 40 HD11 ILE 40 9.426 0.968 3.071 126 HD12 ILE 40 HD12 ILE 40 8.957 1.485 4.691 127 HD13 ILE 40 HD13 ILE 40 8.429 2.408 3.284 128 H VAL 41 HN VAL 41 5.597 -1.202 -0.299 129 HA VAL 41 HA VAL 41 3.693 0.780 -1.164 130 HB VAL 41 HB VAL 41 5.053 -1.475 -2.648 131 HG11 VAL 41 HG11 VAL 41 3.294 0.737 -3.714 132 HG12 VAL 41 HG12 VAL 41 2.924 -0.987 -3.710 133 HG13 VAL 41 HG13 VAL 41 4.247 -0.372 -4.701 134 HG21 VAL 41 HG21 VAL 41 6.406 0.277 -3.635 135 HG22 VAL 41 HG22 VAL 41 6.521 0.347 -1.876 136 HG23 VAL 41 HG23 VAL 41 5.511 1.505 -2.741 137 H ALA 42 HN ALA 42 3.751 -2.734 -0.742 138 HA ALA 42 HA ALA 42 1.225 -3.293 -1.830 139 HB1 ALA 42 HB1 ALA 42 2.676 -4.773 0.363 140 HB2 ALA 42 HB2 ALA 42 2.904 -5.017 -1.370 141 HB3 ALA 42 HB3 ALA 42 1.354 -5.402 -0.621 142 H GLY 43 HN GLY 43 2.219 -2.260 1.380 143 HA2 GLY 43 HA2 GLY 43 -0.217 -2.731 2.720 144 HA3 GLY 43 HA1 GLY 43 1.016 -1.580 3.213 145 H ALA 44 HN ALA 44 0.921 0.012 0.821 146 HA ALA 44 HA ALA 44 -1.219 1.749 1.533 147 HB1 ALA 44 HB1 ALA 44 0.923 2.584 0.688 148 HB2 ALA 44 HB2 ALA 44 -0.430 3.157 -0.289 149 HB3 ALA 44 HB3 ALA 44 0.591 1.845 -0.878 150 H THR 45 HN THR 45 -0.662 -0.517 -1.112 151 HA THR 45 HA THR 45 -3.011 0.207 -2.569 152 HB THR 45 HB THR 45 -2.600 -1.857 -3.869 153 HG1 THR 45 HG1 THR 45 -0.247 -2.304 -2.385 154 HG21 THR 45 HG21 THR 45 -1.411 0.187 -4.476 155 HG22 THR 45 HG22 THR 45 -0.398 -1.229 -4.758 156 HG23 THR 45 HG23 THR 45 -0.120 -0.214 -3.344 157 H THR 46 HN THR 46 -2.304 -1.996 0.026 158 HA THR 46 HA THR 46 -4.594 -3.658 -0.238 159 HB THR 46 HB THR 46 -2.936 -3.062 2.223 160 HG1 THR 46 HG1 THR 46 -1.982 -5.119 1.630 161 HG21 THR 46 HG21 THR 46 -4.883 -5.304 1.659 162 HG22 THR 46 HG22 THR 46 -5.107 -3.996 2.821 163 HG23 THR 46 HG23 THR 46 -3.836 -5.191 3.073 164 H LEU 47 HN LEU 47 -3.897 -0.760 1.673 165 HA LEU 47 HA LEU 47 -6.349 -0.683 3.062 166 HB2 LEU 47 HB2 LEU 47 -4.123 0.599 3.459 167 HB3 LEU 47 HB1 LEU 47 -4.789 1.776 2.346 168 HG LEU 47 HG LEU 47 -6.310 0.917 4.792 169 HD11 LEU 47 HD11 LEU 47 -4.313 3.168 4.603 170 HD12 LEU 47 HD12 LEU 47 -4.108 1.684 5.531 171 HD13 LEU 47 HD13 LEU 47 -5.373 2.831 5.971 172 HD21 LEU 47 HD21 LEU 47 -7.316 3.155 4.517 173 HD22 LEU 47 HD22 LEU 47 -7.580 2.112 3.120 174 HD23 LEU 47 HD23 LEU 47 -6.358 3.382 3.053 175 H PHE 48 HN PHE 48 -5.294 0.757 0.009 176 HA PHE 48 HA PHE 48 -7.631 2.281 -0.455 177 HB2 PHE 48 HB2 PHE 48 -5.480 2.688 -1.611 178 HB3 PHE 48 HB1 PHE 48 -5.671 1.165 -2.472 179 HD1 PHE 48 HD1 PHE 48 -7.604 4.294 -1.831 180 HD2 PHE 48 HD2 PHE 48 -6.498 1.262 -4.606 181 HE1 PHE 48 HE1 PHE 48 -8.862 5.456 -3.596 182 HE2 PHE 48 HE2 PHE 48 -7.757 2.419 -6.376 183 HZ PHE 48 HZ PHE 48 -8.948 4.509 -5.874 184 H CYS 49 HN CYS 49 -6.615 -0.910 -1.643 185 HA CYS 49 HA CYS 49 -9.004 -1.389 -3.108 186 HB2 CYS 49 HB2 CYS 49 -6.898 -2.521 -3.652 187 HB3 CYS 49 HB1 CYS 49 -6.923 -3.336 -2.091 188 HG CYS 49 HG CYS 49 -7.652 -5.329 -3.739 189 H LEU 50 HN LEU 50 -8.131 -1.727 0.205 190 HA LEU 50 HA LEU 50 -9.781 -3.774 1.075 191 HB2 LEU 50 HB2 LEU 50 -8.075 -2.224 2.335 192 HB3 LEU 50 HB1 LEU 50 -9.508 -1.289 2.712 193 HG LEU 50 HG LEU 50 -10.513 -3.361 3.698 194 HD11 LEU 50 HD11 LEU 50 -9.242 -5.055 2.584 195 HD12 LEU 50 HD12 LEU 50 -8.903 -5.162 4.312 196 HD13 LEU 50 HD13 LEU 50 -7.729 -4.415 3.227 197 HD21 LEU 50 HD21 LEU 50 -7.917 -2.410 4.906 198 HD22 LEU 50 HD22 LEU 50 -9.212 -3.247 5.763 199 HD23 LEU 50 HD23 LEU 50 -9.493 -1.639 5.095 200 H LEU 51 HN LEU 51 -10.565 -0.422 0.363 201 HA LEU 51 HA LEU 51 -13.172 -0.402 1.433 202 HB2 LEU 51 HB2 LEU 51 -12.045 1.205 -0.862 203 HB3 LEU 51 HB1 LEU 51 -13.530 1.564 -0.003 204 HG LEU 51 HG LEU 51 -10.793 1.553 1.270 205 HD11 LEU 51 HD11 LEU 51 -12.474 3.865 0.314 206 HD12 LEU 51 HD12 LEU 51 -10.949 3.324 -0.385 207 HD13 LEU 51 HD13 LEU 51 -10.983 3.994 1.246 208 HD21 LEU 51 HD21 LEU 51 -13.471 2.520 2.266 209 HD22 LEU 51 HD22 LEU 51 -11.931 2.708 3.106 210 HD23 LEU 51 HD23 LEU 51 -12.599 1.097 2.837 211 H HIS 52 HN HIS 52 -11.884 -1.513 -1.623 212 HA HIS 52 HA HIS 52 -14.415 -1.733 -2.938 213 HB2 HIS 52 HB2 HIS 52 -12.322 -1.479 -4.201 214 HB3 HIS 52 HB1 HIS 52 -11.761 -3.033 -3.592 215 HD1 HIS 52 HD1 HIS 52 -12.714 -5.147 -4.683 216 HD2 HIS 52 HD2 HIS 52 -14.309 -1.624 -6.202 217 HE1 HIS 52 HE1 HIS 52 -13.968 -5.817 -6.757 218 HE2 HIS 52 HE2 HIS 52 -14.988 -3.680 -7.617 219 H PHE 53 HN PHE 53 -12.727 -3.639 -0.658 220 HA PHE 53 HA PHE 53 -13.536 -6.225 -1.298 221 HB2 PHE 53 HB2 PHE 53 -11.902 -5.574 0.492 222 HB3 PHE 53 HB1 PHE 53 -13.270 -5.105 1.496 223 HD1 PHE 53 HD1 PHE 53 -11.658 -7.959 -0.204 224 HD2 PHE 53 HD2 PHE 53 -14.496 -6.707 2.707 225 HE1 PHE 53 HE1 PHE 53 -11.849 -10.275 0.600 226 HE2 PHE 53 HE2 PHE 53 -14.693 -9.022 3.518 227 HZ PHE 53 HZ PHE 53 -13.367 -10.809 2.463 228 H GLY 54 HN GLY 54 -15.335 -3.578 0.048 229 HA2 GLY 54 HA2 GLY 54 -17.769 -3.699 -0.298 230 HA3 GLY 54 HA1 GLY 54 -17.684 -5.358 0.274 231 H VAL 55 HN VAL 55 -15.702 -3.058 1.877 232 HA VAL 55 HA VAL 55 -16.902 -3.526 4.385 233 HB VAL 55 HB VAL 55 -15.045 -1.284 3.576 234 HG11 VAL 55 HG11 VAL 55 -15.756 -2.356 6.305 235 HG12 VAL 55 HG12 VAL 55 -16.171 -0.769 5.658 236 HG13 VAL 55 HG13 VAL 55 -14.485 -1.179 5.974 237 HG21 VAL 55 HG21 VAL 55 -14.445 -3.979 4.795 238 HG22 VAL 55 HG22 VAL 55 -13.269 -2.704 4.473 239 HG23 VAL 55 HG23 VAL 55 -14.103 -3.492 3.135 240 H ILE 56 HN ILE 56 -17.439 -1.143 1.924 241 HA ILE 56 HA ILE 56 -19.498 0.100 3.621 242 HB ILE 56 HB ILE 56 -19.138 2.192 2.285 243 HG12 ILE 56 HG12 ILE 56 -16.572 0.802 1.486 244 HG13 ILE 56 HG11 ILE 56 -17.927 1.117 0.407 245 HG21 ILE 56 HG21 ILE 56 -17.185 2.904 3.587 246 HG22 ILE 56 HG22 ILE 56 -16.833 1.219 3.967 247 HG23 ILE 56 HG23 ILE 56 -18.315 1.966 4.562 248 HD11 ILE 56 HD11 ILE 56 -16.149 2.739 0.094 249 HD12 ILE 56 HD12 ILE 56 -16.255 3.200 1.793 250 HD13 ILE 56 HD13 ILE 56 -17.609 3.515 0.708 251 H GLY 57 HN GLY 57 -18.730 -1.435 0.705 252 HA2 GLY 57 HA2 GLY 57 -20.089 -2.205 -0.992 253 HA3 GLY 57 HA1 GLY 57 -21.465 -1.565 -0.104 254 HA PRO 58 HA PRO 58 -20.940 1.132 -3.812 255 HB2 PRO 58 HB2 PRO 58 -23.461 1.049 -4.706 256 HB3 PRO 58 HB1 PRO 58 -22.328 -0.270 -5.026 257 HG2 PRO 58 HG2 PRO 58 -24.492 -0.091 -2.966 258 HG3 PRO 58 HG1 PRO 58 -24.047 -1.457 -4.005 259 HD2 PRO 58 HD2 PRO 58 -23.261 -1.195 -1.383 260 HD3 PRO 58 HD1 PRO 58 -22.371 -2.132 -2.599 261 H GLN 59 HN GLN 59 -21.306 1.917 -1.039 262 HA GLN 59 HA GLN 59 -21.959 3.693 0.214 263 HB2 GLN 59 HB2 GLN 59 -20.959 4.955 -1.640 264 HB3 GLN 59 HB1 GLN 59 -22.498 4.936 -2.490 265 HG2 GLN 59 HG2 GLN 59 -22.102 7.077 -1.409 266 HG3 GLN 59 HG1 GLN 59 -23.512 6.265 -0.729 267 HE21 GLN 59 HE21 GLN 59 -20.224 5.349 0.003 268 HE22 GLN 59 HE22 GLN 59 -20.236 5.871 1.650 269 H ARG 60 HN ARG 60 -23.722 2.759 1.221 270 HA ARG 60 HA ARG 60 -26.348 3.163 -0.023 271 HB2 ARG 60 HB2 ARG 60 -25.542 1.454 2.336 272 HB3 ARG 60 HB1 ARG 60 -27.178 1.594 1.705 273 HG2 ARG 60 HG2 ARG 60 -24.801 0.505 0.208 274 HG3 ARG 60 HG1 ARG 60 -26.087 -0.449 0.947 275 HD2 ARG 60 HD2 ARG 60 -26.363 1.513 -1.326 276 HD3 ARG 60 HD1 ARG 60 -26.500 -0.242 -1.421 277 HE ARG 60 HE ARG 60 -28.400 0.522 0.399 278 HH11 ARG 60 HH11 ARG 60 -27.682 1.281 -2.925 279 HH12 ARG 60 HH12 ARG 60 -29.333 1.592 -3.345 280 HH21 ARG 60 HH21 ARG 60 -30.576 0.933 -0.143 281 HH22 ARG 60 HH22 ARG 60 -30.978 1.395 -1.763
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