NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651248 | 6u46 | 30657 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 4.461 -15.930 14.485 2 H2 PHE 1 HT2 PHE 1 3.043 -15.864 13.551 3 H3 PHE 1 HT3 PHE 1 3.955 -14.455 13.817 4 HA PHE 1 HA PHE 1 4.723 -16.819 12.205 5 HB2 PHE 1 HB2 PHE 1 4.992 -14.197 10.936 6 HB3 PHE 1 HB1 PHE 1 4.052 -15.589 10.405 7 HD1 PHE 1 HD1 PHE 1 1.782 -16.012 11.580 8 HD2 PHE 1 HD2 PHE 1 3.916 -12.295 11.785 9 HE1 PHE 1 HE1 PHE 1 -0.308 -14.851 12.239 10 HE2 PHE 1 HE2 PHE 1 1.828 -11.123 12.439 11 HZ PHE 1 HZ PHE 1 -0.290 -12.410 12.669 12 H VAL 2 HN VAL 2 6.683 -15.281 10.769 13 HA VAL 2 HA VAL 2 8.936 -15.651 12.462 14 HB VAL 2 HB VAL 2 9.260 -15.804 10.127 15 HG11 VAL 2 HG11 VAL 2 7.909 -13.122 10.088 16 HG12 VAL 2 HG12 VAL 2 7.488 -14.597 9.224 17 HG13 VAL 2 HG13 VAL 2 8.897 -13.659 8.732 18 HG21 VAL 2 HG21 VAL 2 10.884 -14.075 11.677 19 HG22 VAL 2 HG22 VAL 2 10.631 -13.203 10.167 20 HG23 VAL 2 HG23 VAL 2 11.317 -14.821 10.143 21 H ASN 3 HN ASN 3 9.384 -12.585 11.136 22 HA ASN 3 HA ASN 3 8.240 -10.989 13.266 23 HB2 ASN 3 HB2 ASN 3 11.149 -11.796 13.394 24 HB3 ASN 3 HB1 ASN 3 10.622 -10.249 14.055 25 HD21 ASN 3 HD21 ASN 3 11.168 -13.419 14.949 26 HD22 ASN 3 HD22 ASN 3 10.120 -13.511 16.281 27 H GLN 4 HN GLN 4 7.556 -9.615 11.594 28 HA GLN 4 HA GLN 4 9.564 -7.757 10.592 29 HB2 GLN 4 HB2 GLN 4 8.640 -8.246 8.136 30 HB3 GLN 4 HB1 GLN 4 9.993 -9.167 8.793 31 HG2 GLN 4 HG2 GLN 4 8.591 -11.007 9.376 32 HG3 GLN 4 HG1 GLN 4 7.123 -10.069 9.092 33 HE21 GLN 4 HE21 GLN 4 9.311 -12.248 7.627 34 HE22 GLN 4 HE22 GLN 4 8.813 -12.034 6.019 35 H HIS 5 HN HIS 5 8.387 -6.127 9.053 36 HA HIS 5 HA HIS 5 5.988 -5.269 10.462 37 HB2 HIS 5 HB2 HIS 5 6.486 -3.750 8.015 38 HB3 HIS 5 HB1 HIS 5 6.609 -3.217 9.685 39 HD2 HIS 5 HD2 HIS 5 9.246 -4.806 10.704 40 HE1 HIS 5 HE1 HIS 5 11.134 -3.266 7.258 41 HE2 HIS 5 HE2 HIS 5 11.519 -4.312 9.542 42 H LEU 6 HN LEU 6 3.921 -5.636 9.870 43 HA LEU 6 HA LEU 6 3.386 -7.221 7.419 44 HB2 LEU 6 HB2 LEU 6 2.008 -6.647 9.997 45 HB3 LEU 6 HB1 LEU 6 0.957 -6.862 8.611 46 HG LEU 6 HG LEU 6 1.747 -9.081 8.227 47 HD11 LEU 6 HD11 LEU 6 4.030 -8.224 9.970 48 HD12 LEU 6 HD12 LEU 6 4.053 -9.144 8.466 49 HD13 LEU 6 HD13 LEU 6 3.580 -9.929 9.965 50 HD21 LEU 6 HD21 LEU 6 0.164 -8.934 10.071 51 HD22 LEU 6 HD22 LEU 6 1.470 -8.586 11.192 52 HD23 LEU 6 HD23 LEU 6 1.367 -10.162 10.430 53 H CYS 7 HN CYS 7 2.954 -6.067 5.569 54 HA CYS 7 HA CYS 7 1.288 -3.588 5.822 55 HB2 CYS 7 HB2 CYS 7 3.616 -4.009 3.933 56 HB3 CYS 7 HB1 CYS 7 2.616 -2.560 4.054 57 H GLY 8 HN GLY 8 -0.519 -3.718 4.700 58 HA2 GLY 8 HA2 GLY 8 -2.088 -4.347 3.101 59 HA3 GLY 8 HA1 GLY 8 -0.732 -4.638 2.014 60 H SER 9 HN SER 9 -1.214 -6.597 1.149 61 HA SER 9 HA SER 9 -2.656 -8.717 2.128 62 HB2 SER 9 HB2 SER 9 -0.098 -8.823 0.514 63 HB3 SER 9 HB1 SER 9 -1.154 -10.209 0.763 64 HG SER 9 HG SER 9 -1.451 -8.760 -1.179 65 H HIS 10 HN HIS 10 0.690 -7.929 3.023 66 HA HIS 10 HA HIS 10 1.263 -10.346 4.406 67 HB2 HIS 10 HB2 HIS 10 2.826 -8.344 3.858 68 HB3 HIS 10 HB1 HIS 10 2.225 -7.659 5.362 69 HD2 HIS 10 HD2 HIS 10 5.287 -8.412 5.673 70 HE1 HIS 10 HE1 HIS 10 4.065 -12.127 7.266 71 HE2 HIS 10 HE2 HIS 10 6.008 -10.507 7.034 72 H LEU 11 HN LEU 11 -0.507 -7.446 5.370 73 HA LEU 11 HA LEU 11 -0.770 -8.244 8.124 74 HB2 LEU 11 HB2 LEU 11 -1.030 -5.875 7.346 75 HB3 LEU 11 HB1 LEU 11 -2.490 -6.351 6.498 76 HG LEU 11 HG LEU 11 -3.666 -6.725 8.489 77 HD11 LEU 11 HD11 LEU 11 -2.239 -8.004 9.887 78 HD12 LEU 11 HD12 LEU 11 -2.458 -6.495 10.771 79 HD13 LEU 11 HD13 LEU 11 -0.980 -6.768 9.864 80 HD21 LEU 11 HD21 LEU 11 -3.854 -4.587 9.219 81 HD22 LEU 11 HD22 LEU 11 -2.694 -4.243 7.945 82 HD23 LEU 11 HD23 LEU 11 -2.141 -4.439 9.608 83 H VAL 12 HN VAL 12 -2.941 -8.341 5.339 84 HA VAL 12 HA VAL 12 -5.067 -9.738 6.614 85 HB VAL 12 HB VAL 12 -4.091 -9.580 3.757 86 HG11 VAL 12 HG11 VAL 12 -6.085 -11.476 4.876 87 HG12 VAL 12 HG12 VAL 12 -5.259 -11.506 3.328 88 HG13 VAL 12 HG13 VAL 12 -6.697 -10.514 3.534 89 HG21 VAL 12 HG21 VAL 12 -6.037 -8.148 3.484 90 HG22 VAL 12 HG22 VAL 12 -5.081 -7.587 4.856 91 HG23 VAL 12 HG23 VAL 12 -6.564 -8.502 5.130 92 H GLU 13 HN GLU 13 -2.586 -11.032 4.423 93 HA GLU 13 HA GLU 13 -3.019 -13.742 4.742 94 HB2 GLU 13 HB2 GLU 13 -0.353 -12.308 4.592 95 HB3 GLU 13 HB1 GLU 13 -0.564 -14.045 4.358 96 HG2 GLU 13 HG2 GLU 13 -1.837 -13.750 2.389 97 HG3 GLU 13 HG1 GLU 13 -2.161 -12.055 2.752 98 H ALA 14 HN ALA 14 -1.597 -11.533 7.101 99 HA ALA 14 HA ALA 14 -0.758 -13.762 8.842 100 HB1 ALA 14 HB1 ALA 14 0.680 -11.964 9.137 101 HB2 ALA 14 HB2 ALA 14 -0.475 -11.615 10.424 102 HB3 ALA 14 HB3 ALA 14 -0.592 -10.773 8.879 103 H LEU 15 HN LEU 15 -3.037 -11.000 9.292 104 HA LEU 15 HA LEU 15 -4.301 -11.880 11.611 105 HB2 LEU 15 HB2 LEU 15 -5.426 -10.481 9.186 106 HB3 LEU 15 HB1 LEU 15 -6.420 -10.810 10.598 107 HG LEU 15 HG LEU 15 -3.766 -9.460 11.018 108 HD11 LEU 15 HD11 LEU 15 -4.593 -7.301 10.521 109 HD12 LEU 15 HD12 LEU 15 -6.254 -7.861 10.404 110 HD13 LEU 15 HD13 LEU 15 -5.101 -8.271 9.143 111 HD21 LEU 15 HD21 LEU 15 -5.173 -10.191 12.939 112 HD22 LEU 15 HD22 LEU 15 -6.492 -9.191 12.334 113 HD23 LEU 15 HD23 LEU 15 -5.000 -8.439 12.888 114 H TYR 16 HN TYR 16 -4.837 -12.976 8.300 115 HA TYR 16 HA TYR 16 -7.168 -14.489 8.615 116 HB2 TYR 16 HB2 TYR 16 -6.407 -14.421 6.417 117 HB3 TYR 16 HB1 TYR 16 -4.734 -14.662 6.887 118 HD1 TYR 16 HD1 TYR 16 -3.896 -16.617 5.910 119 HD2 TYR 16 HD2 TYR 16 -7.878 -16.619 7.522 120 HE1 TYR 16 HE1 TYR 16 -4.089 -19.034 5.421 121 HE2 TYR 16 HE2 TYR 16 -8.076 -19.041 7.023 122 HH TYR 16 HH TYR 16 -5.738 -21.024 6.601 123 H LEU 17 HN LEU 17 -3.829 -15.352 9.480 124 HA LEU 17 HA LEU 17 -4.582 -18.015 10.418 125 HB2 LEU 17 HB2 LEU 17 -2.069 -16.342 10.728 126 HB3 LEU 17 HB1 LEU 17 -2.245 -17.950 11.419 127 HG LEU 17 HG LEU 17 -2.906 -18.652 8.963 128 HD11 LEU 17 HD11 LEU 17 -3.001 -16.377 8.045 129 HD12 LEU 17 HD12 LEU 17 -1.704 -17.281 7.274 130 HD13 LEU 17 HD13 LEU 17 -1.330 -16.101 8.528 131 HD21 LEU 17 HD21 LEU 17 -0.906 -19.493 10.039 132 HD22 LEU 17 HD22 LEU 17 -0.092 -17.941 9.841 133 HD23 LEU 17 HD23 LEU 17 -0.455 -18.932 8.428 134 H VAL 18 HN VAL 18 -3.558 -14.984 11.958 135 HA VAL 18 HA VAL 18 -3.783 -15.702 14.654 136 HB VAL 18 HB VAL 18 -4.748 -13.076 13.498 137 HG11 VAL 18 HG11 VAL 18 -5.084 -13.550 15.944 138 HG12 VAL 18 HG12 VAL 18 -4.083 -12.140 15.597 139 HG13 VAL 18 HG13 VAL 18 -3.331 -13.655 16.095 140 HG21 VAL 18 HG21 VAL 18 -2.310 -12.385 13.878 141 HG22 VAL 18 HG22 VAL 18 -2.603 -13.437 12.495 142 HG23 VAL 18 HG23 VAL 18 -1.944 -14.107 13.986 143 H CYS 19 HN CYS 19 -6.353 -14.289 12.624 144 HA CYS 19 HA CYS 19 -8.417 -14.797 14.613 145 HB2 CYS 19 HB2 CYS 19 -8.857 -14.142 11.696 146 HB3 CYS 19 HB1 CYS 19 -9.860 -13.707 13.085 147 H GLY 20 HN GLY 20 -7.074 -16.557 11.924 148 HA2 GLY 20 HA2 GLY 20 -7.670 -18.630 10.995 149 HA3 GLY 20 HA1 GLY 20 -8.359 -18.987 12.582 150 H GLU 21 HN GLU 21 -10.536 -19.291 12.621 151 HA GLU 21 HA GLU 21 -12.104 -18.659 10.214 152 HB2 GLU 21 HB2 GLU 21 -12.948 -19.963 12.817 153 HB3 GLU 21 HB1 GLU 21 -13.905 -19.897 11.336 154 HG2 GLU 21 HG2 GLU 21 -12.325 -21.261 10.151 155 HG3 GLU 21 HG1 GLU 21 -11.146 -21.136 11.458 156 H ARG 22 HN ARG 22 -11.761 -17.402 13.488 157 HA ARG 22 HA ARG 22 -14.181 -15.974 13.706 158 HB2 ARG 22 HB2 ARG 22 -11.391 -15.275 14.653 159 HB3 ARG 22 HB1 ARG 22 -12.804 -14.308 15.066 160 HG2 ARG 22 HG2 ARG 22 -12.876 -17.283 15.550 161 HG3 ARG 22 HG1 ARG 22 -12.015 -16.249 16.686 162 HD2 ARG 22 HD2 ARG 22 -13.953 -15.200 17.417 163 HD3 ARG 22 HD1 ARG 22 -14.789 -15.429 15.882 164 HE ARG 22 HE ARG 22 -14.487 -18.003 16.860 165 HH11 ARG 22 HH11 ARG 22 -16.042 -18.987 18.174 166 HH12 ARG 22 HH12 ARG 22 -17.106 -18.000 19.120 167 HH21 ARG 22 HH21 ARG 22 -15.739 -15.009 18.022 168 HH22 ARG 22 HH22 ARG 22 -16.933 -15.748 19.035 169 H GLY 23 HN GLY 23 -11.243 -15.169 11.909 170 HA2 GLY 23 HA2 GLY 23 -11.013 -13.683 10.094 171 HA3 GLY 23 HA1 GLY 23 -12.753 -13.412 10.160 172 H PHE 24 HN PHE 24 -11.105 -11.287 9.684 173 HA PHE 24 HA PHE 24 -11.449 -9.623 12.145 174 HB2 PHE 24 HB2 PHE 24 -9.300 -8.469 11.589 175 HB3 PHE 24 HB1 PHE 24 -9.073 -10.151 12.040 176 HD1 PHE 24 HD1 PHE 24 -9.059 -11.916 10.129 177 HD2 PHE 24 HD2 PHE 24 -8.485 -7.697 9.534 178 HE1 PHE 24 HE1 PHE 24 -8.029 -12.374 7.919 179 HE2 PHE 24 HE2 PHE 24 -7.451 -8.163 7.319 180 HZ PHE 24 HZ PHE 24 -7.244 -10.491 6.526 181 H PHE 25 HN PHE 25 -11.222 -7.183 11.353 182 HA PHE 25 HA PHE 25 -12.701 -6.970 8.757 183 HB2 PHE 25 HB2 PHE 25 -13.791 -5.081 9.656 184 HB3 PHE 25 HB1 PHE 25 -13.732 -6.235 10.992 185 HD1 PHE 25 HD1 PHE 25 -12.726 -2.993 9.822 186 HD2 PHE 25 HD2 PHE 25 -11.877 -6.020 12.723 187 HE1 PHE 25 HE1 PHE 25 -11.473 -1.328 11.172 188 HE2 PHE 25 HE2 PHE 25 -10.622 -4.369 14.077 189 HZ PHE 25 HZ PHE 25 -10.418 -2.022 13.308 190 H TYR 26 HN TYR 26 -11.542 -6.160 7.098 191 HA TYR 26 HA TYR 26 -9.168 -4.419 7.669 192 HB2 TYR 26 HB2 TYR 26 -9.088 -6.674 6.263 193 HB3 TYR 26 HB1 TYR 26 -9.705 -5.653 4.968 194 HD1 TYR 26 HD1 TYR 26 -6.971 -5.965 7.471 195 HD2 TYR 26 HD2 TYR 26 -8.243 -4.170 3.789 196 HE1 TYR 26 HE1 TYR 26 -4.670 -5.155 7.076 197 HE2 TYR 26 HE2 TYR 26 -5.932 -3.325 3.411 198 HH TYR 26 HH TYR 26 -3.906 -3.058 4.315 199 H THR 27 HN THR 27 -9.044 -2.395 6.578 200 HA THR 27 HA THR 27 -11.186 -0.761 6.211 201 HB THR 27 HB THR 27 -9.161 0.323 5.891 202 HG1 THR 27 HG1 THR 27 -9.826 -0.072 3.183 203 HG21 THR 27 HG21 THR 27 -8.492 -1.849 3.890 204 HG22 THR 27 HG22 THR 27 -7.796 -1.648 5.498 205 HG23 THR 27 HG23 THR 27 -7.460 -0.464 4.237 206 HA PRO 28 HA PRO 28 -13.121 -3.186 2.829 207 HB2 PRO 28 HB2 PRO 28 -15.625 -1.843 3.165 208 HB3 PRO 28 HB1 PRO 28 -15.197 -3.454 3.745 209 HG2 PRO 28 HG2 PRO 28 -15.571 -1.038 5.319 210 HG3 PRO 28 HG1 PRO 28 -15.229 -2.675 5.896 211 HD2 PRO 28 HD2 PRO 28 -13.411 -0.414 5.768 212 HD3 PRO 28 HD1 PRO 28 -13.089 -2.039 6.407 213 H ARG 29 HN ARG 29 -13.056 0.282 3.344 214 HA ARG 29 HA ARG 29 -12.647 0.698 0.468 215 HB2 ARG 29 HB2 ARG 29 -14.526 2.719 0.953 216 HB3 ARG 29 HB1 ARG 29 -14.819 1.252 0.027 217 HG2 ARG 29 HG2 ARG 29 -16.512 1.649 1.812 218 HG3 ARG 29 HG1 ARG 29 -15.680 0.115 1.977 219 HD2 ARG 29 HD2 ARG 29 -14.766 0.716 3.996 220 HD3 ARG 29 HD1 ARG 29 -14.381 2.345 3.431 221 HE ARG 29 HE ARG 29 -17.125 2.396 3.696 222 HH11 ARG 29 HH11 ARG 29 -18.149 2.984 5.625 223 HH12 ARG 29 HH12 ARG 29 -17.318 2.772 7.130 224 HH21 ARG 29 HH21 ARG 29 -14.456 1.468 5.670 225 HH22 ARG 29 HH22 ARG 29 -15.228 1.914 7.156 226 H THR 30 HN THR 30 -12.388 1.634 3.750 227 HA THR 30 HA THR 30 -11.508 4.356 3.336 228 HB THR 30 HB THR 30 -10.487 4.035 5.652 229 HG1 THR 30 HG1 THR 30 -11.262 1.470 4.994 230 HG21 THR 30 HG21 THR 30 -12.647 4.031 6.749 231 HG22 THR 30 HG22 THR 30 -13.392 3.226 5.369 232 HG23 THR 30 HG23 THR 30 -12.809 4.883 5.213 233 H GLU 31 HN GLU 31 -10.234 2.499 1.509 234 HA GLU 31 HA GLU 31 -7.647 1.673 2.201 235 HB2 GLU 31 HB2 GLU 31 -8.428 2.980 -0.423 236 HB3 GLU 31 HB1 GLU 31 -7.099 1.850 -0.161 237 HG2 GLU 31 HG2 GLU 31 -8.709 0.096 0.482 238 HG3 GLU 31 HG1 GLU 31 -10.042 1.223 0.228 239 H GLU 32 HN GLU 32 -8.896 4.816 2.271 240 HA GLU 32 HA GLU 32 -6.331 6.172 1.753 241 HB2 GLU 32 HB2 GLU 32 -8.936 7.289 2.831 242 HB3 GLU 32 HB1 GLU 32 -7.571 8.224 2.216 243 HG2 GLU 32 HG2 GLU 32 -9.123 6.205 0.571 244 HG3 GLU 32 HG1 GLU 32 -9.420 7.943 0.541 245 H GLY 33 HN GLY 33 -8.175 4.968 4.435 246 HA2 GLY 33 HA2 GLY 33 -7.356 4.588 6.636 247 HA3 GLY 33 HA1 GLY 33 -5.945 5.575 6.262 248 H SER 34 HN SER 34 -7.919 5.659 8.529 249 HA SER 34 HA SER 34 -8.206 8.572 8.603 250 HB2 SER 34 HB2 SER 34 -10.265 7.908 7.419 251 HB3 SER 34 HB1 SER 34 -10.643 6.769 8.708 252 HG SER 34 HG SER 34 -11.324 9.275 8.592 253 H ARG 35 HN ARG 35 -10.423 7.954 10.705 254 HA ARG 35 HA ARG 35 -8.867 8.090 13.021 255 HB2 ARG 35 HB2 ARG 35 -10.922 6.899 14.138 256 HB3 ARG 35 HB1 ARG 35 -11.142 8.491 13.418 257 HG2 ARG 35 HG2 ARG 35 -11.966 7.386 11.334 258 HG3 ARG 35 HG1 ARG 35 -11.814 5.828 12.140 259 HD2 ARG 35 HD2 ARG 35 -13.383 6.604 13.896 260 HD3 ARG 35 HD1 ARG 35 -13.572 8.127 13.027 261 HE ARG 35 HE ARG 35 -14.190 6.202 11.131 262 HH11 ARG 35 HH11 ARG 35 -16.286 5.423 10.823 263 HH12 ARG 35 HH12 ARG 35 -17.427 5.503 12.124 264 HH21 ARG 35 HH21 ARG 35 -15.198 6.978 14.336 265 HH22 ARG 35 HH22 ARG 35 -16.810 6.385 14.114 266 H ARG 36 HN ARG 36 -10.340 5.095 11.710 267 HA ARG 36 HA ARG 36 -8.609 3.465 13.422 268 HB2 ARG 36 HB2 ARG 36 -10.464 2.545 11.208 269 HB3 ARG 36 HB1 ARG 36 -9.781 1.560 12.502 270 HG2 ARG 36 HG2 ARG 36 -10.990 3.391 14.041 271 HG3 ARG 36 HG1 ARG 36 -12.008 3.567 12.615 272 HD2 ARG 36 HD2 ARG 36 -12.487 1.151 12.644 273 HD3 ARG 36 HD1 ARG 36 -11.453 0.959 14.059 274 HE ARG 36 HE ARG 36 -13.293 2.889 14.828 275 HH11 ARG 36 HH11 ARG 36 -15.254 2.371 15.824 276 HH12 ARG 36 HH12 ARG 36 -15.946 0.802 15.581 277 HH21 ARG 36 HH21 ARG 36 -13.389 -0.297 13.513 278 HH22 ARG 36 HH22 ARG 36 -14.890 -0.709 14.272 279 H SER 37 HN SER 37 -8.517 1.425 11.167 280 HA SER 37 HA SER 37 -6.941 0.699 9.611 281 HB2 SER 37 HB2 SER 37 -7.919 2.121 8.027 282 HB3 SER 37 HB1 SER 37 -7.346 3.578 8.827 283 HG SER 37 HG SER 37 -5.607 3.427 7.673 284 H ARG 38 HN ARG 38 -5.668 3.993 10.343 285 HA ARG 38 HA ARG 38 -2.956 3.151 10.334 286 HB2 ARG 38 HB2 ARG 38 -2.557 5.225 11.748 287 HB3 ARG 38 HB1 ARG 38 -3.412 5.510 10.233 288 HG2 ARG 38 HG2 ARG 38 -5.491 5.779 11.312 289 HG3 ARG 38 HG1 ARG 38 -4.933 4.992 12.789 290 HD2 ARG 38 HD2 ARG 38 -3.618 6.869 13.416 291 HD3 ARG 38 HD1 ARG 38 -3.716 7.577 11.804 292 HE ARG 38 HE ARG 38 -6.356 7.467 12.639 293 HH11 ARG 38 HH11 ARG 38 -7.348 9.160 13.760 294 HH12 ARG 38 HH12 ARG 38 -6.376 10.262 14.677 295 HH21 ARG 38 HH21 ARG 38 -3.385 8.696 13.884 296 HH22 ARG 38 HH22 ARG 38 -4.131 10.000 14.746 297 H GLY 39 HN GLY 39 -5.437 2.472 12.537 298 HA2 GLY 39 HA2 GLY 39 -3.689 2.137 14.877 299 HA3 GLY 39 HA1 GLY 39 -5.393 1.682 14.778 300 H ILE 40 HN ILE 40 -5.133 0.169 12.328 301 HA ILE 40 HA ILE 40 -3.850 -2.272 13.441 302 HB ILE 40 HB ILE 40 -6.350 -1.990 12.637 303 HG12 ILE 40 HG12 ILE 40 -5.963 -4.133 13.388 304 HG13 ILE 40 HG11 ILE 40 -6.216 -4.480 11.696 305 HG21 ILE 40 HG21 ILE 40 -5.719 -1.169 10.389 306 HG22 ILE 40 HG22 ILE 40 -6.761 -2.585 10.338 307 HG23 ILE 40 HG23 ILE 40 -5.038 -2.752 10.023 308 HD11 ILE 40 HD11 ILE 40 -3.624 -4.290 11.489 309 HD12 ILE 40 HD12 ILE 40 -4.299 -5.726 12.225 310 HD13 ILE 40 HD13 ILE 40 -3.615 -4.469 13.240 311 H VAL 41 HN VAL 41 -4.087 -0.517 10.289 312 HA VAL 41 HA VAL 41 -2.069 -2.161 9.056 313 HB VAL 41 HB VAL 41 -2.627 0.665 8.152 314 HG11 VAL 41 HG11 VAL 41 -0.950 -0.750 6.966 315 HG12 VAL 41 HG12 VAL 41 -2.326 -0.344 5.941 316 HG13 VAL 41 HG13 VAL 41 -2.208 -1.949 6.663 317 HG21 VAL 41 HG21 VAL 41 -4.466 -1.730 8.022 318 HG22 VAL 41 HG22 VAL 41 -4.559 -0.426 6.839 319 HG23 VAL 41 HG23 VAL 41 -4.842 -0.089 8.545 320 H GLU 42 HN GLU 42 -1.767 1.328 9.900 321 HA GLU 42 HA GLU 42 1.047 1.368 9.594 322 HB2 GLU 42 HB2 GLU 42 -0.695 3.089 11.372 323 HB3 GLU 42 HB1 GLU 42 0.988 3.433 10.986 324 HG2 GLU 42 HG2 GLU 42 -1.135 3.042 8.865 325 HG3 GLU 42 HG1 GLU 42 -0.723 4.624 9.527 326 H GLN 43 HN GLN 43 -0.851 0.869 12.598 327 HA GLN 43 HA GLN 43 1.259 0.714 14.422 328 HB2 GLN 43 HB2 GLN 43 -1.152 0.474 15.011 329 HB3 GLN 43 HB1 GLN 43 -1.125 -1.160 14.345 330 HG2 GLN 43 HG2 GLN 43 0.386 -1.932 16.007 331 HG3 GLN 43 HG1 GLN 43 0.815 -0.292 16.493 332 HE21 GLN 43 HE21 GLN 43 -2.181 -2.305 16.236 333 HE22 GLN 43 HE22 GLN 43 -2.850 -1.745 17.692 334 H CYS 44 HN CYS 44 0.005 -1.975 12.410 335 HA CYS 44 HA CYS 44 2.211 -3.710 13.219 336 HB2 CYS 44 HB2 CYS 44 -0.034 -4.004 11.204 337 HB3 CYS 44 HB1 CYS 44 1.144 -5.264 11.552 338 H CYS 45 HN CYS 45 1.173 -2.264 10.122 339 HA CYS 45 HA CYS 45 3.470 -3.016 8.616 340 HB2 CYS 45 HB2 CYS 45 1.382 -2.136 7.600 341 HB3 CYS 45 HB1 CYS 45 1.722 -0.557 8.302 342 H ARG 46 HN ARG 46 2.785 0.075 10.289 343 HA ARG 46 HA ARG 46 5.378 1.169 9.711 344 HB2 ARG 46 HB2 ARG 46 3.096 2.272 10.547 345 HB3 ARG 46 HB1 ARG 46 3.841 2.064 12.130 346 HG2 ARG 46 HG2 ARG 46 5.063 3.520 9.762 347 HG3 ARG 46 HG1 ARG 46 4.371 4.273 11.192 348 HD2 ARG 46 HD2 ARG 46 6.111 2.751 12.478 349 HD3 ARG 46 HD1 ARG 46 6.937 2.745 10.919 350 HE ARG 46 HE ARG 46 6.395 5.424 11.371 351 HH11 ARG 46 HH11 ARG 46 7.830 6.788 12.456 352 HH12 ARG 46 HH12 ARG 46 8.974 6.114 13.569 353 HH21 ARG 46 HH21 ARG 46 7.917 2.846 13.086 354 HH22 ARG 46 HH22 ARG 46 9.023 3.882 13.924 355 H SER 47 HN SER 47 4.107 -0.732 12.441 356 HA SER 47 HA SER 47 6.932 -1.064 13.395 357 HB2 SER 47 HB2 SER 47 4.514 -0.373 15.086 358 HB3 SER 47 HB1 SER 47 6.028 -0.977 15.752 359 HG SER 47 HG SER 47 6.349 1.149 15.776 360 H ILE 48 HN ILE 48 7.341 -3.118 14.337 361 HA ILE 48 HA ILE 48 5.663 -5.257 13.376 362 HB ILE 48 HB ILE 48 7.829 -5.391 15.496 363 HG12 ILE 48 HG12 ILE 48 8.082 -5.779 12.497 364 HG13 ILE 48 HG11 ILE 48 8.542 -4.296 13.335 365 HG21 ILE 48 HG21 ILE 48 8.039 -7.728 14.702 366 HG22 ILE 48 HG22 ILE 48 6.697 -7.463 13.589 367 HG23 ILE 48 HG23 ILE 48 6.422 -7.407 15.330 368 HD11 ILE 48 HD11 ILE 48 10.538 -5.622 13.107 369 HD12 ILE 48 HD12 ILE 48 9.719 -7.059 13.718 370 HD13 ILE 48 HD13 ILE 48 10.051 -5.706 14.799 371 H CYS 49 HN CYS 49 3.599 -5.224 14.248 372 HA CYS 49 HA CYS 49 3.200 -4.882 17.143 373 HB2 CYS 49 HB2 CYS 49 0.826 -5.056 16.620 374 HB3 CYS 49 HB1 CYS 49 1.583 -3.983 15.450 375 H SER 50 HN SER 50 2.742 -6.551 18.580 376 HA SER 50 HA SER 50 3.548 -9.223 17.820 377 HB2 SER 50 HB2 SER 50 2.036 -8.486 20.330 378 HB3 SER 50 HB1 SER 50 3.178 -9.807 20.098 379 HG SER 50 HG SER 50 3.615 -7.087 20.503 380 H LEU 51 HN LEU 51 2.144 -11.148 18.054 381 HA LEU 51 HA LEU 51 -0.196 -11.039 16.481 382 HB2 LEU 51 HB2 LEU 51 0.293 -13.059 18.685 383 HB3 LEU 51 HB1 LEU 51 -0.636 -13.291 17.205 384 HG LEU 51 HG LEU 51 2.350 -12.773 17.343 385 HD11 LEU 51 HD11 LEU 51 0.855 -15.281 16.536 386 HD12 LEU 51 HD12 LEU 51 1.570 -15.033 18.129 387 HD13 LEU 51 HD13 LEU 51 2.600 -15.089 16.699 388 HD21 LEU 51 HD21 LEU 51 1.617 -11.875 15.278 389 HD22 LEU 51 HD22 LEU 51 0.390 -13.124 15.068 390 HD23 LEU 51 HD23 LEU 51 2.096 -13.520 14.864 391 H TYR 52 HN TYR 52 0.236 -10.595 19.947 392 HA TYR 52 HA TYR 52 -2.378 -10.859 20.888 393 HB2 TYR 52 HB2 TYR 52 -0.121 -10.059 22.058 394 HB3 TYR 52 HB1 TYR 52 -0.789 -8.458 21.775 395 HD1 TYR 52 HD1 TYR 52 -3.069 -7.902 22.677 396 HD2 TYR 52 HD2 TYR 52 -0.978 -11.482 23.774 397 HE1 TYR 52 HE1 TYR 52 -4.558 -8.163 24.646 398 HE2 TYR 52 HE2 TYR 52 -2.463 -11.749 25.743 399 HH TYR 52 HH TYR 52 -3.951 -10.614 27.088 400 H GLN 53 HN GLN 53 -0.935 -7.999 19.307 401 HA GLN 53 HA GLN 53 -3.373 -6.445 19.392 402 HB2 GLN 53 HB2 GLN 53 -1.078 -6.161 17.432 403 HB3 GLN 53 HB1 GLN 53 -2.229 -4.914 17.917 404 HG2 GLN 53 HG2 GLN 53 -1.389 -5.094 20.256 405 HG3 GLN 53 HG1 GLN 53 -0.181 -6.255 19.704 406 HE21 GLN 53 HE21 GLN 53 -1.324 -3.189 18.189 407 HE22 GLN 53 HE22 GLN 53 0.217 -2.480 18.116 408 H LEU 54 HN LEU 54 -1.799 -8.329 16.776 409 HA LEU 54 HA LEU 54 -3.791 -7.912 14.825 410 HB2 LEU 54 HB2 LEU 54 -2.108 -10.353 15.299 411 HB3 LEU 54 HB1 LEU 54 -3.023 -10.042 13.828 412 HG LEU 54 HG LEU 54 -0.874 -8.234 14.947 413 HD11 LEU 54 HD11 LEU 54 -0.152 -10.517 14.017 414 HD12 LEU 54 HD12 LEU 54 0.585 -9.106 13.264 415 HD13 LEU 54 HD13 LEU 54 -0.735 -9.947 12.451 416 HD21 LEU 54 HD21 LEU 54 -1.109 -7.399 12.437 417 HD22 LEU 54 HD22 LEU 54 -2.201 -6.800 13.677 418 HD23 LEU 54 HD23 LEU 54 -2.728 -8.078 12.585 419 H GLU 55 HN GLU 55 -3.626 -10.073 17.525 420 HA GLU 55 HA GLU 55 -5.997 -11.585 16.838 421 HB2 GLU 55 HB2 GLU 55 -4.057 -12.242 18.441 422 HB3 GLU 55 HB1 GLU 55 -4.937 -11.289 19.631 423 HG2 GLU 55 HG2 GLU 55 -6.995 -12.680 19.021 424 HG3 GLU 55 HG1 GLU 55 -5.888 -13.754 18.165 425 H ASN 56 HN ASN 56 -5.500 -8.457 17.925 426 HA ASN 56 HA ASN 56 -7.826 -8.254 19.678 427 HB2 ASN 56 HB2 ASN 56 -5.682 -6.806 19.680 428 HB3 ASN 56 HB1 ASN 56 -6.425 -5.942 18.335 429 HD21 ASN 56 HD21 ASN 56 -5.892 -5.054 21.201 430 HD22 ASN 56 HD22 ASN 56 -7.398 -4.526 21.772 431 H TYR 57 HN TYR 57 -7.285 -7.988 16.254 432 HA TYR 57 HA TYR 57 -9.890 -6.604 15.847 433 HB2 TYR 57 HB2 TYR 57 -7.940 -7.415 13.697 434 HB3 TYR 57 HB1 TYR 57 -9.092 -6.087 13.686 435 HD1 TYR 57 HD1 TYR 57 -8.697 -4.081 15.217 436 HD2 TYR 57 HD2 TYR 57 -5.808 -7.174 14.642 437 HE1 TYR 57 HE1 TYR 57 -6.949 -2.602 16.138 438 HE2 TYR 57 HE2 TYR 57 -4.035 -5.705 15.576 439 HH TYR 57 HH TYR 57 -4.409 -2.410 15.944 440 H CYS 58 HN CYS 58 -8.685 -9.741 16.017 441 HA CYS 58 HA CYS 58 -10.056 -11.042 13.901 442 HB2 CYS 58 HB2 CYS 58 -9.336 -12.045 16.662 443 HB3 CYS 58 HB1 CYS 58 -9.878 -13.067 15.335 444 H GLY 59 HN GLY 59 -12.151 -10.382 13.605 445 HA2 GLY 59 HA2 GLY 59 -14.250 -11.602 15.002 446 HA3 GLY 59 HA1 GLY 59 -14.032 -10.030 15.774 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 4.129 -16.945 12.320 2 H2 PHE 1 HT2 PHE 1 3.079 -17.051 10.988 3 H3 PHE 1 HT3 PHE 1 3.059 -15.674 11.983 4 HA PHE 1 HA PHE 1 5.173 -16.527 10.095 5 HB2 PHE 1 HB2 PHE 1 4.732 -13.969 9.501 6 HB3 PHE 1 HB1 PHE 1 3.666 -15.229 8.884 7 HD1 PHE 1 HD1 PHE 1 1.564 -15.810 10.212 8 HD2 PHE 1 HD2 PHE 1 3.887 -12.270 10.929 9 HE1 PHE 1 HE1 PHE 1 -0.366 -14.781 11.378 10 HE2 PHE 1 HE2 PHE 1 1.958 -11.233 12.091 11 HZ PHE 1 HZ PHE 1 -0.174 -12.497 12.315 12 H VAL 2 HN VAL 2 6.276 -16.827 12.373 13 HA VAL 2 HA VAL 2 7.587 -15.947 14.151 14 HB VAL 2 HB VAL 2 9.570 -14.704 13.108 15 HG11 VAL 2 HG11 VAL 2 9.681 -17.078 13.437 16 HG12 VAL 2 HG12 VAL 2 10.255 -16.750 11.802 17 HG13 VAL 2 HG13 VAL 2 8.626 -17.375 12.056 18 HG21 VAL 2 HG21 VAL 2 8.105 -15.414 10.548 19 HG22 VAL 2 HG22 VAL 2 9.676 -14.631 10.686 20 HG23 VAL 2 HG23 VAL 2 8.222 -13.775 11.187 21 H ASN 3 HN ASN 3 8.774 -13.135 12.869 22 HA ASN 3 HA ASN 3 6.635 -11.354 13.846 23 HB2 ASN 3 HB2 ASN 3 8.239 -10.220 15.435 24 HB3 ASN 3 HB1 ASN 3 7.747 -11.837 15.939 25 HD21 ASN 3 HD21 ASN 3 10.423 -10.006 15.977 26 HD22 ASN 3 HD22 ASN 3 11.617 -11.173 15.671 27 H GLN 4 HN GLN 4 6.570 -9.896 12.206 28 HA GLN 4 HA GLN 4 9.001 -8.429 11.481 29 HB2 GLN 4 HB2 GLN 4 8.606 -8.922 8.996 30 HB3 GLN 4 HB1 GLN 4 9.342 -10.212 9.944 31 HG2 GLN 4 HG2 GLN 4 7.090 -11.247 10.230 32 HG3 GLN 4 HG1 GLN 4 6.412 -9.991 9.193 33 HE21 GLN 4 HE21 GLN 4 7.548 -13.133 9.099 34 HE22 GLN 4 HE22 GLN 4 8.005 -13.207 7.465 35 H HIS 5 HN HIS 5 8.390 -6.748 9.719 36 HA HIS 5 HA HIS 5 6.031 -5.359 10.637 37 HB2 HIS 5 HB2 HIS 5 6.677 -3.866 8.549 38 HB3 HIS 5 HB1 HIS 5 7.705 -3.874 9.972 39 HD2 HIS 5 HD2 HIS 5 9.954 -5.839 9.688 40 HE1 HIS 5 HE1 HIS 5 9.983 -5.334 5.502 41 HE2 HIS 5 HE2 HIS 5 11.294 -6.214 7.490 42 H LEU 6 HN LEU 6 4.012 -5.476 9.841 43 HA LEU 6 HA LEU 6 3.522 -7.081 7.361 44 HB2 LEU 6 HB2 LEU 6 2.082 -6.595 9.923 45 HB3 LEU 6 HB1 LEU 6 1.072 -6.716 8.495 46 HG LEU 6 HG LEU 6 1.812 -8.937 8.030 47 HD11 LEU 6 HD11 LEU 6 3.594 -9.899 9.777 48 HD12 LEU 6 HD12 LEU 6 4.087 -8.208 9.834 49 HD13 LEU 6 HD13 LEU 6 4.105 -9.082 8.305 50 HD21 LEU 6 HD21 LEU 6 0.193 -8.875 9.838 51 HD22 LEU 6 HD22 LEU 6 1.465 -8.558 11.008 52 HD23 LEU 6 HD23 LEU 6 1.389 -10.110 10.195 53 H CYS 7 HN CYS 7 3.182 -5.816 5.563 54 HA CYS 7 HA CYS 7 1.581 -3.305 5.907 55 HB2 CYS 7 HB2 CYS 7 3.942 -3.701 4.054 56 HB3 CYS 7 HB1 CYS 7 2.979 -2.232 4.218 57 H GLY 8 HN GLY 8 -0.203 -3.316 4.744 58 HA2 GLY 8 HA2 GLY 8 -1.762 -3.812 3.091 59 HA3 GLY 8 HA1 GLY 8 -0.395 -4.078 2.010 60 H SER 9 HN SER 9 -0.944 -5.969 1.022 61 HA SER 9 HA SER 9 -2.448 -8.102 1.876 62 HB2 SER 9 HB2 SER 9 0.155 -8.566 0.420 63 HB3 SER 9 HB1 SER 9 -1.362 -9.446 0.250 64 HG SER 9 HG SER 9 -0.918 -6.716 -0.411 65 H HIS 10 HN HIS 10 0.895 -7.435 2.842 66 HA HIS 10 HA HIS 10 1.436 -9.940 4.063 67 HB2 HIS 10 HB2 HIS 10 2.930 -7.768 3.678 68 HB3 HIS 10 HB1 HIS 10 2.430 -7.404 5.322 69 HD2 HIS 10 HD2 HIS 10 2.635 -10.521 6.528 70 HE1 HIS 10 HE1 HIS 10 6.652 -10.293 5.247 71 HE2 HIS 10 HE2 HIS 10 5.018 -11.536 6.746 72 H LEU 11 HN LEU 11 -0.321 -7.099 5.205 73 HA LEU 11 HA LEU 11 -0.628 -8.069 7.895 74 HB2 LEU 11 HB2 LEU 11 -0.861 -5.656 7.257 75 HB3 LEU 11 HB1 LEU 11 -2.316 -6.066 6.369 76 HG LEU 11 HG LEU 11 -3.522 -6.528 8.321 77 HD11 LEU 11 HD11 LEU 11 -2.135 -7.930 9.643 78 HD12 LEU 11 HD12 LEU 11 -2.355 -6.484 10.626 79 HD13 LEU 11 HD13 LEU 11 -0.863 -6.713 9.734 80 HD21 LEU 11 HD21 LEU 11 -2.480 -4.039 7.958 81 HD22 LEU 11 HD22 LEU 11 -1.959 -4.363 9.611 82 HD23 LEU 11 HD23 LEU 11 -3.669 -4.438 9.191 83 H VAL 12 HN VAL 12 -2.855 -7.939 5.127 84 HA VAL 12 HA VAL 12 -4.945 -9.430 6.336 85 HB VAL 12 HB VAL 12 -4.031 -9.249 3.448 86 HG11 VAL 12 HG11 VAL 12 -6.873 -9.919 3.799 87 HG12 VAL 12 HG12 VAL 12 -5.846 -11.188 4.447 88 HG13 VAL 12 HG13 VAL 12 -5.670 -10.689 2.773 89 HG21 VAL 12 HG21 VAL 12 -5.747 -7.574 3.240 90 HG22 VAL 12 HG22 VAL 12 -4.775 -7.172 4.656 91 HG23 VAL 12 HG23 VAL 12 -6.358 -7.924 4.856 92 H GLU 13 HN GLU 13 -2.447 -10.595 4.076 93 HA GLU 13 HA GLU 13 -2.870 -13.319 4.210 94 HB2 GLU 13 HB2 GLU 13 -0.218 -11.854 4.226 95 HB3 GLU 13 HB1 GLU 13 -0.384 -13.584 3.919 96 HG2 GLU 13 HG2 GLU 13 -1.606 -13.232 1.923 97 HG3 GLU 13 HG1 GLU 13 -1.952 -11.553 2.335 98 H ALA 14 HN ALA 14 -1.512 -11.277 6.739 99 HA ALA 14 HA ALA 14 -0.731 -13.622 8.359 100 HB1 ALA 14 HB1 ALA 14 -0.424 -10.667 8.487 101 HB2 ALA 14 HB2 ALA 14 0.728 -11.930 8.912 102 HB3 ALA 14 HB3 ALA 14 -0.539 -11.473 10.050 103 H LEU 15 HN LEU 15 -2.969 -10.857 8.918 104 HA LEU 15 HA LEU 15 -4.309 -11.829 11.147 105 HB2 LEU 15 HB2 LEU 15 -5.337 -10.292 8.768 106 HB3 LEU 15 HB1 LEU 15 -6.383 -10.672 10.128 107 HG LEU 15 HG LEU 15 -3.716 -9.391 10.688 108 HD11 LEU 15 HD11 LEU 15 -6.169 -7.725 10.115 109 HD12 LEU 15 HD12 LEU 15 -5.000 -8.085 8.853 110 HD13 LEU 15 HD13 LEU 15 -4.502 -7.201 10.289 111 HD21 LEU 15 HD21 LEU 15 -4.988 -8.446 12.577 112 HD22 LEU 15 HD22 LEU 15 -5.157 -10.197 12.545 113 HD23 LEU 15 HD23 LEU 15 -6.467 -9.174 11.962 114 H TYR 16 HN TYR 16 -4.758 -12.781 7.779 115 HA TYR 16 HA TYR 16 -7.126 -14.272 7.985 116 HB2 TYR 16 HB2 TYR 16 -6.350 -14.114 5.801 117 HB3 TYR 16 HB1 TYR 16 -4.679 -14.373 6.271 118 HD1 TYR 16 HD1 TYR 16 -3.844 -16.268 5.177 119 HD2 TYR 16 HD2 TYR 16 -7.812 -16.376 6.823 120 HE1 TYR 16 HE1 TYR 16 -4.029 -18.659 4.570 121 HE2 TYR 16 HE2 TYR 16 -7.999 -18.771 6.207 122 HH TYR 16 HH TYR 16 -7.060 -20.406 4.880 123 H LEU 17 HN LEU 17 -3.796 -15.247 8.796 124 HA LEU 17 HA LEU 17 -4.595 -17.931 9.612 125 HB2 LEU 17 HB2 LEU 17 -2.064 -16.313 10.046 126 HB3 LEU 17 HB1 LEU 17 -2.272 -17.960 10.628 127 HG LEU 17 HG LEU 17 -2.913 -18.491 8.125 128 HD11 LEU 17 HD11 LEU 17 -1.310 -15.930 7.879 129 HD12 LEU 17 HD12 LEU 17 -2.969 -16.172 7.336 130 HD13 LEU 17 HD13 LEU 17 -1.653 -17.029 6.545 131 HD21 LEU 17 HD21 LEU 17 -0.093 -17.871 9.057 132 HD22 LEU 17 HD22 LEU 17 -0.471 -18.792 7.601 133 HD23 LEU 17 HD23 LEU 17 -0.932 -19.417 9.185 134 H VAL 18 HN VAL 18 -3.535 -15.003 11.325 135 HA VAL 18 HA VAL 18 -3.808 -15.864 13.974 136 HB VAL 18 HB VAL 18 -4.687 -13.159 12.940 137 HG11 VAL 18 HG11 VAL 18 -4.030 -12.346 15.102 138 HG12 VAL 18 HG12 VAL 18 -3.379 -13.924 15.547 139 HG13 VAL 18 HG13 VAL 18 -5.117 -13.713 15.340 140 HG21 VAL 18 HG21 VAL 18 -2.252 -12.543 13.407 141 HG22 VAL 18 HG22 VAL 18 -2.519 -13.543 11.979 142 HG23 VAL 18 HG23 VAL 18 -1.921 -14.274 13.468 143 H CYS 19 HN CYS 19 -6.331 -14.287 11.997 144 HA CYS 19 HA CYS 19 -8.427 -14.868 13.935 145 HB2 CYS 19 HB2 CYS 19 -8.789 -14.037 11.050 146 HB3 CYS 19 HB1 CYS 19 -9.851 -13.703 12.421 147 H GLY 20 HN GLY 20 -7.068 -16.502 11.174 148 HA2 GLY 20 HA2 GLY 20 -7.657 -18.533 10.150 149 HA3 GLY 20 HA1 GLY 20 -8.428 -18.938 11.686 150 H GLU 21 HN GLU 21 -10.580 -19.317 11.506 151 HA GLU 21 HA GLU 21 -12.029 -18.390 9.117 152 HB2 GLU 21 HB2 GLU 21 -12.949 -20.021 11.504 153 HB3 GLU 21 HB1 GLU 21 -13.907 -19.714 10.055 154 HG2 GLU 21 HG2 GLU 21 -12.372 -20.927 8.673 155 HG3 GLU 21 HG1 GLU 21 -11.174 -21.009 9.965 156 H ARG 22 HN ARG 22 -11.682 -17.441 12.454 157 HA ARG 22 HA ARG 22 -14.117 -16.076 12.872 158 HB2 ARG 22 HB2 ARG 22 -11.393 -15.079 13.753 159 HB3 ARG 22 HB1 ARG 22 -12.948 -14.751 14.519 160 HG2 ARG 22 HG2 ARG 22 -13.107 -17.367 14.723 161 HG3 ARG 22 HG1 ARG 22 -11.361 -17.314 14.484 162 HD2 ARG 22 HD2 ARG 22 -11.629 -17.229 16.834 163 HD3 ARG 22 HD1 ARG 22 -11.347 -15.549 16.372 164 HE ARG 22 HE ARG 22 -14.104 -15.796 16.295 165 HH11 ARG 22 HH11 ARG 22 -15.416 -15.395 18.090 166 HH12 ARG 22 HH12 ARG 22 -14.755 -15.553 19.682 167 HH21 ARG 22 HH21 ARG 22 -11.601 -16.466 18.568 168 HH22 ARG 22 HH22 ARG 22 -12.594 -16.160 19.953 169 H GLY 23 HN GLY 23 -11.232 -15.086 11.078 170 HA2 GLY 23 HA2 GLY 23 -11.067 -13.479 9.364 171 HA3 GLY 23 HA1 GLY 23 -12.805 -13.231 9.494 172 H PHE 24 HN PHE 24 -11.087 -11.102 9.116 173 HA PHE 24 HA PHE 24 -11.453 -9.549 11.643 174 HB2 PHE 24 HB2 PHE 24 -9.270 -8.419 11.211 175 HB3 PHE 24 HB1 PHE 24 -9.084 -10.129 11.563 176 HD1 PHE 24 HD1 PHE 24 -9.060 -11.770 9.541 177 HD2 PHE 24 HD2 PHE 24 -8.364 -7.539 9.234 178 HE1 PHE 24 HE1 PHE 24 -7.970 -12.117 7.341 179 HE2 PHE 24 HE2 PHE 24 -7.265 -7.888 7.025 180 HZ PHE 24 HZ PHE 24 -7.092 -10.176 6.091 181 H PHE 25 HN PHE 25 -11.175 -7.086 10.985 182 HA PHE 25 HA PHE 25 -12.534 -6.698 8.341 183 HB2 PHE 25 HB2 PHE 25 -13.663 -4.866 9.312 184 HB3 PHE 25 HB1 PHE 25 -13.655 -6.085 10.589 185 HD1 PHE 25 HD1 PHE 25 -12.623 -2.787 9.638 186 HD2 PHE 25 HD2 PHE 25 -11.824 -5.977 12.373 187 HE1 PHE 25 HE1 PHE 25 -11.398 -1.203 11.105 188 HE2 PHE 25 HE2 PHE 25 -10.596 -4.407 13.844 189 HZ PHE 25 HZ PHE 25 -10.383 -2.018 13.216 190 H TYR 26 HN TYR 26 -11.301 -5.692 6.793 191 HA TYR 26 HA TYR 26 -8.830 -4.247 7.673 192 HB2 TYR 26 HB2 TYR 26 -8.910 -6.172 5.874 193 HB3 TYR 26 HB1 TYR 26 -9.491 -4.904 4.798 194 HD1 TYR 26 HD1 TYR 26 -6.788 -5.621 7.268 195 HD2 TYR 26 HD2 TYR 26 -7.915 -3.505 3.711 196 HE1 TYR 26 HE1 TYR 26 -4.452 -4.856 6.987 197 HE2 TYR 26 HE2 TYR 26 -5.569 -2.721 3.441 198 HH TYR 26 HH TYR 26 -3.014 -3.779 5.680 199 H THR 27 HN THR 27 -9.373 -2.166 8.056 200 HA THR 27 HA THR 27 -10.367 -0.072 7.850 201 HB THR 27 HB THR 27 -8.360 0.162 6.548 202 HG1 THR 27 HG1 THR 27 -9.060 1.999 5.866 203 HG21 THR 27 HG21 THR 27 -8.523 -1.643 4.988 204 HG22 THR 27 HG22 THR 27 -8.503 -0.162 4.037 205 HG23 THR 27 HG23 THR 27 -10.022 -1.008 4.310 206 HA PRO 28 HA PRO 28 -14.438 -0.330 6.055 207 HB2 PRO 28 HB2 PRO 28 -14.973 2.442 5.897 208 HB3 PRO 28 HB1 PRO 28 -15.293 1.414 7.303 209 HG2 PRO 28 HG2 PRO 28 -13.109 3.382 6.887 210 HG3 PRO 28 HG1 PRO 28 -13.776 2.758 8.402 211 HD2 PRO 28 HD2 PRO 28 -11.305 1.996 7.303 212 HD3 PRO 28 HD1 PRO 28 -12.215 1.085 8.519 213 H ARG 29 HN ARG 29 -14.529 -0.831 3.890 214 HA ARG 29 HA ARG 29 -14.193 -0.682 1.580 215 HB2 ARG 29 HB2 ARG 29 -14.723 2.222 2.278 216 HB3 ARG 29 HB1 ARG 29 -14.820 1.535 0.659 217 HG2 ARG 29 HG2 ARG 29 -17.036 1.322 1.264 218 HG3 ARG 29 HG1 ARG 29 -16.453 -0.212 1.874 219 HD2 ARG 29 HD2 ARG 29 -16.016 1.493 4.040 220 HD3 ARG 29 HD1 ARG 29 -17.508 2.121 3.358 221 HE ARG 29 HE ARG 29 -17.338 -0.175 4.958 222 HH11 ARG 29 HH11 ARG 29 -18.768 -1.903 4.872 223 HH12 ARG 29 HH12 ARG 29 -19.748 -2.135 3.463 224 HH21 ARG 29 HH21 ARG 29 -18.494 0.626 1.800 225 HH22 ARG 29 HH22 ARG 29 -19.587 -0.710 1.728 226 H THR 30 HN THR 30 -12.813 2.504 2.381 227 HA THR 30 HA THR 30 -10.109 1.511 1.658 228 HB THR 30 HB THR 30 -9.746 3.157 -0.013 229 HG1 THR 30 HG1 THR 30 -11.318 4.780 -0.395 230 HG21 THR 30 HG21 THR 30 -12.607 2.241 -0.399 231 HG22 THR 30 HG22 THR 30 -11.191 1.236 -0.711 232 HG23 THR 30 HG23 THR 30 -11.465 2.695 -1.664 233 H GLU 31 HN GLU 31 -9.144 4.314 1.515 234 HA GLU 31 HA GLU 31 -8.447 4.702 4.237 235 HB2 GLU 31 HB2 GLU 31 -8.563 6.720 1.973 236 HB3 GLU 31 HB1 GLU 31 -7.768 6.998 3.522 237 HG2 GLU 31 HG2 GLU 31 -6.037 6.272 2.059 238 HG3 GLU 31 HG1 GLU 31 -6.430 4.863 3.046 239 H GLU 32 HN GLU 32 -11.442 5.005 2.879 240 HA GLU 32 HA GLU 32 -12.671 7.314 3.727 241 HB2 GLU 32 HB2 GLU 32 -13.930 4.652 4.383 242 HB3 GLU 32 HB1 GLU 32 -14.706 6.121 3.791 243 HG2 GLU 32 HG2 GLU 32 -12.868 4.278 2.238 244 HG3 GLU 32 HG1 GLU 32 -14.584 4.543 1.957 245 H GLY 33 HN GLY 33 -11.509 4.703 5.761 246 HA2 GLY 33 HA2 GLY 33 -12.766 5.630 8.192 247 HA3 GLY 33 HA1 GLY 33 -11.418 4.495 8.104 248 H SER 34 HN SER 34 -10.898 5.976 10.091 249 HA SER 34 HA SER 34 -8.832 7.870 9.197 250 HB2 SER 34 HB2 SER 34 -10.795 9.321 9.304 251 HB3 SER 34 HB1 SER 34 -11.166 8.740 10.923 252 HG SER 34 HG SER 34 -9.479 9.826 11.715 253 H ARG 35 HN ARG 35 -10.310 8.034 12.349 254 HA ARG 35 HA ARG 35 -8.021 7.725 13.865 255 HB2 ARG 35 HB2 ARG 35 -9.650 6.585 15.607 256 HB3 ARG 35 HB1 ARG 35 -9.879 8.274 15.165 257 HG2 ARG 35 HG2 ARG 35 -11.577 7.581 13.491 258 HG3 ARG 35 HG1 ARG 35 -11.366 5.908 13.983 259 HD2 ARG 35 HD2 ARG 35 -11.858 6.919 16.400 260 HD3 ARG 35 HD1 ARG 35 -12.674 8.166 15.460 261 HE ARG 35 HE ARG 35 -13.716 5.590 16.035 262 HH11 ARG 35 HH11 ARG 35 -15.214 4.516 14.756 263 HH12 ARG 35 HH12 ARG 35 -15.506 5.060 13.138 264 HH21 ARG 35 HH21 ARG 35 -13.250 7.676 13.319 265 HH22 ARG 35 HH22 ARG 35 -14.389 6.838 12.326 266 H ARG 36 HN ARG 36 -10.217 4.995 13.073 267 HA ARG 36 HA ARG 36 -8.446 3.000 14.091 268 HB2 ARG 36 HB2 ARG 36 -10.517 2.718 11.888 269 HB3 ARG 36 HB1 ARG 36 -9.800 1.391 12.799 270 HG2 ARG 36 HG2 ARG 36 -11.159 3.613 14.290 271 HG3 ARG 36 HG1 ARG 36 -12.147 2.380 13.520 272 HD2 ARG 36 HD2 ARG 36 -9.840 1.545 15.266 273 HD3 ARG 36 HD1 ARG 36 -11.360 2.040 16.007 274 HE ARG 36 HE ARG 36 -12.118 0.204 14.065 275 HH11 ARG 36 HH11 ARG 36 -12.304 -2.008 14.504 276 HH12 ARG 36 HH12 ARG 36 -11.402 -2.695 15.814 277 HH21 ARG 36 HH21 ARG 36 -9.923 0.306 16.720 278 HH22 ARG 36 HH22 ARG 36 -10.055 -1.385 17.068 279 H SER 37 HN SER 37 -8.471 1.324 11.638 280 HA SER 37 HA SER 37 -6.974 0.765 9.934 281 HB2 SER 37 HB2 SER 37 -8.039 2.327 8.555 282 HB3 SER 37 HB1 SER 37 -7.458 3.702 9.485 283 HG SER 37 HG SER 37 -5.616 3.632 8.439 284 H ARG 38 HN ARG 38 -5.683 3.986 10.869 285 HA ARG 38 HA ARG 38 -2.968 3.193 10.666 286 HB2 ARG 38 HB2 ARG 38 -2.465 5.183 12.032 287 HB3 ARG 38 HB1 ARG 38 -3.641 5.549 10.775 288 HG2 ARG 38 HG2 ARG 38 -5.170 6.212 12.326 289 HG3 ARG 38 HG1 ARG 38 -5.071 4.663 13.151 290 HD2 ARG 38 HD2 ARG 38 -2.959 5.527 14.282 291 HD3 ARG 38 HD1 ARG 38 -3.354 7.114 13.620 292 HE ARG 38 HE ARG 38 -5.681 6.346 14.903 293 HH11 ARG 38 HH11 ARG 38 -6.086 6.810 17.079 294 HH12 ARG 38 HH12 ARG 38 -4.756 7.068 18.158 295 HH21 ARG 38 HH21 ARG 38 -2.340 6.580 15.718 296 HH22 ARG 38 HH22 ARG 38 -2.635 6.938 17.387 297 H GLY 39 HN GLY 39 -5.331 2.375 12.978 298 HA2 GLY 39 HA2 GLY 39 -3.440 1.884 15.171 299 HA3 GLY 39 HA1 GLY 39 -5.151 1.444 15.154 300 H ILE 40 HN ILE 40 -4.924 0.127 12.521 301 HA ILE 40 HA ILE 40 -3.715 -2.415 13.472 302 HB ILE 40 HB ILE 40 -6.197 -2.014 12.668 303 HG12 ILE 40 HG12 ILE 40 -5.915 -4.210 13.274 304 HG13 ILE 40 HG11 ILE 40 -6.087 -4.453 11.554 305 HG21 ILE 40 HG21 ILE 40 -4.870 -2.622 10.019 306 HG22 ILE 40 HG22 ILE 40 -5.563 -1.070 10.487 307 HG23 ILE 40 HG23 ILE 40 -6.597 -2.483 10.330 308 HD11 ILE 40 HD11 ILE 40 -3.481 -4.305 11.490 309 HD12 ILE 40 HD12 ILE 40 -4.221 -5.767 12.100 310 HD13 ILE 40 HD13 ILE 40 -3.569 -4.592 13.224 311 H VAL 41 HN VAL 41 -3.906 -0.506 10.406 312 HA VAL 41 HA VAL 41 -1.873 -2.089 9.117 313 HB VAL 41 HB VAL 41 -2.542 0.767 8.398 314 HG11 VAL 41 HG11 VAL 41 -1.687 -1.667 6.796 315 HG12 VAL 41 HG12 VAL 41 -0.671 -0.282 7.198 316 HG13 VAL 41 HG13 VAL 41 -2.050 -0.080 6.117 317 HG21 VAL 41 HG21 VAL 41 -4.128 -1.771 7.978 318 HG22 VAL 41 HG22 VAL 41 -4.257 -0.425 6.846 319 HG23 VAL 41 HG23 VAL 41 -4.696 -0.198 8.536 320 H GLU 42 HN GLU 42 -1.590 1.355 10.114 321 HA GLU 42 HA GLU 42 1.214 1.436 9.804 322 HB2 GLU 42 HB2 GLU 42 -0.568 3.026 11.658 323 HB3 GLU 42 HB1 GLU 42 1.133 3.390 11.385 324 HG2 GLU 42 HG2 GLU 42 0.676 3.615 8.957 325 HG3 GLU 42 HG1 GLU 42 -1.035 3.312 9.265 326 H GLN 43 HN GLN 43 -0.583 0.951 12.882 327 HA GLN 43 HA GLN 43 1.550 0.620 14.611 328 HB2 GLN 43 HB2 GLN 43 -1.059 0.310 14.941 329 HB3 GLN 43 HB1 GLN 43 -0.679 -1.401 14.761 330 HG2 GLN 43 HG2 GLN 43 0.663 0.459 16.755 331 HG3 GLN 43 HG1 GLN 43 -0.662 -0.634 17.146 332 HE21 GLN 43 HE21 GLN 43 -0.188 -2.881 17.382 333 HE22 GLN 43 HE22 GLN 43 1.388 -3.503 17.293 334 H CYS 44 HN CYS 44 0.181 -2.012 12.577 335 HA CYS 44 HA CYS 44 2.352 -3.804 13.324 336 HB2 CYS 44 HB2 CYS 44 0.108 -3.979 11.291 337 HB3 CYS 44 HB1 CYS 44 1.269 -5.271 11.557 338 H CYS 45 HN CYS 45 1.419 -2.176 10.298 339 HA CYS 45 HA CYS 45 3.679 -2.979 8.768 340 HB2 CYS 45 HB2 CYS 45 1.659 -1.959 7.778 341 HB3 CYS 45 HB1 CYS 45 2.041 -0.437 8.579 342 H ARG 46 HN ARG 46 3.187 0.123 10.515 343 HA ARG 46 HA ARG 46 5.905 0.956 10.000 344 HB2 ARG 46 HB2 ARG 46 4.209 2.637 10.465 345 HB3 ARG 46 HB1 ARG 46 3.884 1.934 12.038 346 HG2 ARG 46 HG2 ARG 46 5.349 3.978 12.118 347 HG3 ARG 46 HG1 ARG 46 6.061 2.551 12.864 348 HD2 ARG 46 HD2 ARG 46 7.595 2.250 11.120 349 HD3 ARG 46 HD1 ARG 46 6.616 3.154 9.969 350 HE ARG 46 HE ARG 46 7.304 5.046 11.863 351 HH11 ARG 46 HH11 ARG 46 9.188 6.290 11.724 352 HH12 ARG 46 HH12 ARG 46 10.541 5.690 10.824 353 HH21 ARG 46 HH21 ARG 46 8.966 2.738 9.913 354 HH22 ARG 46 HH22 ARG 46 10.415 3.681 9.798 355 H SER 47 HN SER 47 4.300 -0.638 12.745 356 HA SER 47 HA SER 47 7.046 -1.103 13.900 357 HB2 SER 47 HB2 SER 47 4.545 -0.971 15.583 358 HB3 SER 47 HB1 SER 47 6.225 -0.799 16.084 359 HG SER 47 HG SER 47 4.771 1.162 15.757 360 H ILE 48 HN ILE 48 7.453 -3.190 14.678 361 HA ILE 48 HA ILE 48 5.890 -5.322 13.512 362 HB ILE 48 HB ILE 48 7.892 -5.637 15.759 363 HG12 ILE 48 HG12 ILE 48 8.404 -5.184 12.801 364 HG13 ILE 48 HG11 ILE 48 8.913 -4.138 14.128 365 HG21 ILE 48 HG21 ILE 48 8.267 -7.791 14.808 366 HG22 ILE 48 HG22 ILE 48 7.420 -7.364 13.323 367 HG23 ILE 48 HG23 ILE 48 6.515 -7.586 14.818 368 HD11 ILE 48 HD11 ILE 48 10.829 -5.450 13.553 369 HD12 ILE 48 HD12 ILE 48 9.881 -6.935 13.502 370 HD13 ILE 48 HD13 ILE 48 10.195 -6.143 15.046 371 H CYS 49 HN CYS 49 3.787 -5.382 14.309 372 HA CYS 49 HA CYS 49 3.300 -5.214 17.212 373 HB2 CYS 49 HB2 CYS 49 0.950 -5.304 16.629 374 HB3 CYS 49 HB1 CYS 49 1.746 -4.197 15.518 375 H SER 50 HN SER 50 2.695 -6.947 18.509 376 HA SER 50 HA SER 50 3.546 -9.580 17.661 377 HB2 SER 50 HB2 SER 50 1.874 -8.931 20.092 378 HB3 SER 50 HB1 SER 50 2.974 -10.285 19.874 379 HG SER 50 HG SER 50 4.577 -9.034 20.409 380 H LEU 51 HN LEU 51 2.122 -11.497 17.660 381 HA LEU 51 HA LEU 51 -0.133 -11.239 15.977 382 HB2 LEU 51 HB2 LEU 51 0.236 -13.439 18.026 383 HB3 LEU 51 HB1 LEU 51 -0.617 -13.540 16.486 384 HG LEU 51 HG LEU 51 2.360 -13.049 16.806 385 HD11 LEU 51 HD11 LEU 51 1.876 -15.326 17.391 386 HD12 LEU 51 HD12 LEU 51 2.475 -15.344 15.733 387 HD13 LEU 51 HD13 LEU 51 0.746 -15.494 16.047 388 HD21 LEU 51 HD21 LEU 51 2.227 -13.613 14.274 389 HD22 LEU 51 HD22 LEU 51 1.708 -12.007 14.777 390 HD23 LEU 51 HD23 LEU 51 0.508 -13.250 14.424 391 H TYR 52 HN TYR 52 0.156 -11.057 19.472 392 HA TYR 52 HA TYR 52 -2.476 -11.374 20.324 393 HB2 TYR 52 HB2 TYR 52 -0.346 -10.702 21.664 394 HB3 TYR 52 HB1 TYR 52 -0.818 -9.046 21.305 395 HD1 TYR 52 HD1 TYR 52 -3.174 -8.305 21.925 396 HD2 TYR 52 HD2 TYR 52 -1.400 -11.916 23.407 397 HE1 TYR 52 HE1 TYR 52 -4.838 -8.360 23.766 398 HE2 TYR 52 HE2 TYR 52 -3.060 -11.978 25.251 399 HH TYR 52 HH TYR 52 -4.934 -9.369 26.120 400 H GLN 53 HN GLN 53 -1.029 -8.292 19.192 401 HA GLN 53 HA GLN 53 -3.465 -6.814 19.203 402 HB2 GLN 53 HB2 GLN 53 -1.079 -6.465 17.363 403 HB3 GLN 53 HB1 GLN 53 -2.316 -5.253 17.700 404 HG2 GLN 53 HG2 GLN 53 -1.669 -5.561 20.187 405 HG3 GLN 53 HG1 GLN 53 -0.227 -6.369 19.572 406 HE21 GLN 53 HE21 GLN 53 1.496 -4.925 19.452 407 HE22 GLN 53 HE22 GLN 53 1.370 -3.285 19.030 408 H LEU 54 HN LEU 54 -1.852 -8.556 16.518 409 HA LEU 54 HA LEU 54 -3.810 -8.063 14.558 410 HB2 LEU 54 HB2 LEU 54 -2.154 -10.536 14.955 411 HB3 LEU 54 HB1 LEU 54 -3.021 -10.134 13.477 412 HG LEU 54 HG LEU 54 -0.881 -8.425 14.755 413 HD11 LEU 54 HD11 LEU 54 0.600 -9.210 13.048 414 HD12 LEU 54 HD12 LEU 54 -0.714 -9.989 12.166 415 HD13 LEU 54 HD13 LEU 54 -0.168 -10.651 13.708 416 HD21 LEU 54 HD21 LEU 54 -2.694 -8.083 12.381 417 HD22 LEU 54 HD22 LEU 54 -1.054 -7.443 12.284 418 HD23 LEU 54 HD23 LEU 54 -2.139 -6.884 13.549 419 H GLU 55 HN GLU 55 -3.693 -10.363 17.155 420 HA GLU 55 HA GLU 55 -6.057 -11.822 16.358 421 HB2 GLU 55 HB2 GLU 55 -4.108 -12.500 17.993 422 HB3 GLU 55 HB1 GLU 55 -5.099 -11.685 19.195 423 HG2 GLU 55 HG2 GLU 55 -6.245 -13.831 17.392 424 HG3 GLU 55 HG1 GLU 55 -5.455 -14.216 18.915 425 H ASN 56 HN ASN 56 -5.566 -8.758 17.608 426 HA ASN 56 HA ASN 56 -7.928 -8.623 19.318 427 HB2 ASN 56 HB2 ASN 56 -5.779 -7.201 19.449 428 HB3 ASN 56 HB1 ASN 56 -6.471 -6.265 18.124 429 HD21 ASN 56 HD21 ASN 56 -6.012 -5.387 20.949 430 HD22 ASN 56 HD22 ASN 56 -7.533 -4.925 21.539 431 H TYR 57 HN TYR 57 -7.330 -8.191 15.916 432 HA TYR 57 HA TYR 57 -9.912 -6.750 15.549 433 HB2 TYR 57 HB2 TYR 57 -7.940 -7.466 13.386 434 HB3 TYR 57 HB1 TYR 57 -9.082 -6.130 13.430 435 HD1 TYR 57 HD1 TYR 57 -8.692 -4.203 15.049 436 HD2 TYR 57 HD2 TYR 57 -5.826 -7.302 14.393 437 HE1 TYR 57 HE1 TYR 57 -6.948 -2.791 16.079 438 HE2 TYR 57 HE2 TYR 57 -4.057 -5.899 15.433 439 HH TYR 57 HH TYR 57 -3.576 -3.929 16.332 440 H CYS 58 HN CYS 58 -8.780 -9.912 15.586 441 HA CYS 58 HA CYS 58 -10.116 -11.078 13.370 442 HB2 CYS 58 HB2 CYS 58 -9.529 -12.242 16.100 443 HB3 CYS 58 HB1 CYS 58 -10.004 -13.172 14.685 444 H GLY 59 HN GLY 59 -12.190 -10.360 13.048 445 HA2 GLY 59 HA2 GLY 59 -14.527 -10.406 13.340 446 HA3 GLY 59 HA1 GLY 59 -14.277 -11.532 14.675 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 3.179 -15.279 13.287 2 H2 PHE 1 HT2 PHE 1 4.221 -16.467 13.909 3 H3 PHE 1 HT3 PHE 1 3.116 -16.861 12.680 4 HA PHE 1 HA PHE 1 5.132 -16.672 11.569 5 HB2 PHE 1 HB2 PHE 1 4.834 -14.120 10.609 6 HB3 PHE 1 HB1 PHE 1 3.846 -15.481 10.086 7 HD1 PHE 1 HD1 PHE 1 1.721 -16.004 11.508 8 HD2 PHE 1 HD2 PHE 1 3.795 -12.249 11.571 9 HE1 PHE 1 HE1 PHE 1 -0.315 -14.897 12.388 10 HE2 PHE 1 HE2 PHE 1 1.760 -11.132 12.446 11 HZ PHE 1 HZ PHE 1 -0.301 -12.465 12.856 12 H VAL 2 HN VAL 2 7.164 -15.496 11.210 13 HA VAL 2 HA VAL 2 8.501 -14.842 13.623 14 HB VAL 2 HB VAL 2 10.219 -13.774 11.990 15 HG11 VAL 2 HG11 VAL 2 10.496 -16.028 12.840 16 HG12 VAL 2 HG12 VAL 2 10.836 -16.035 11.110 17 HG13 VAL 2 HG13 VAL 2 9.293 -16.644 11.708 18 HG21 VAL 2 HG21 VAL 2 9.863 -14.138 9.657 19 HG22 VAL 2 HG22 VAL 2 8.374 -13.403 10.253 20 HG23 VAL 2 HG23 VAL 2 8.443 -15.140 9.957 21 H ASN 3 HN ASN 3 9.877 -12.535 13.329 22 HA ASN 3 HA ASN 3 7.792 -10.489 13.843 23 HB2 ASN 3 HB2 ASN 3 10.803 -10.449 14.224 24 HB3 ASN 3 HB1 ASN 3 9.705 -9.156 14.708 25 HD21 ASN 3 HD21 ASN 3 11.438 -11.207 16.304 26 HD22 ASN 3 HD22 ASN 3 10.346 -11.831 17.444 27 H GLN 4 HN GLN 4 7.177 -9.235 12.150 28 HA GLN 4 HA GLN 4 9.176 -7.954 10.458 29 HB2 GLN 4 HB2 GLN 4 8.089 -8.857 8.324 30 HB3 GLN 4 HB1 GLN 4 9.122 -9.984 9.203 31 HG2 GLN 4 HG2 GLN 4 7.082 -10.913 10.320 32 HG3 GLN 4 HG1 GLN 4 6.093 -9.854 9.314 33 HE21 GLN 4 HE21 GLN 4 6.596 -12.955 9.407 34 HE22 GLN 4 HE22 GLN 4 6.858 -13.343 7.775 35 H HIS 5 HN HIS 5 8.044 -6.484 8.833 36 HA HIS 5 HA HIS 5 5.732 -5.252 10.178 37 HB2 HIS 5 HB2 HIS 5 6.227 -3.859 7.746 38 HB3 HIS 5 HB1 HIS 5 6.738 -3.378 9.356 39 HD2 HIS 5 HD2 HIS 5 9.276 -5.204 9.960 40 HE1 HIS 5 HE1 HIS 5 10.648 -4.194 6.101 41 HE2 HIS 5 HE2 HIS 5 11.329 -5.115 8.368 42 H LEU 6 HN LEU 6 3.715 -5.868 9.708 43 HA LEU 6 HA LEU 6 3.131 -7.424 7.269 44 HB2 LEU 6 HB2 LEU 6 1.791 -6.790 9.852 45 HB3 LEU 6 HB1 LEU 6 0.723 -7.045 8.486 46 HG LEU 6 HG LEU 6 1.510 -9.276 8.153 47 HD11 LEU 6 HD11 LEU 6 3.820 -9.321 8.352 48 HD12 LEU 6 HD12 LEU 6 3.377 -10.068 9.881 49 HD13 LEU 6 HD13 LEU 6 3.820 -8.361 9.831 50 HD21 LEU 6 HD21 LEU 6 1.173 -10.292 10.399 51 HD22 LEU 6 HD22 LEU 6 -0.041 -9.080 10.021 52 HD23 LEU 6 HD23 LEU 6 1.283 -8.692 11.108 53 H CYS 7 HN CYS 7 2.655 -6.306 5.404 54 HA CYS 7 HA CYS 7 0.990 -3.830 5.647 55 HB2 CYS 7 HB2 CYS 7 3.265 -4.255 3.697 56 HB3 CYS 7 HB1 CYS 7 2.284 -2.799 3.874 57 H GLY 8 HN GLY 8 -0.838 -3.991 4.561 58 HA2 GLY 8 HA2 GLY 8 -2.440 -4.672 3.014 59 HA3 GLY 8 HA1 GLY 8 -1.104 -4.929 1.893 60 H SER 9 HN SER 9 -1.558 -6.897 1.039 61 HA SER 9 HA SER 9 -2.930 -9.050 2.039 62 HB2 SER 9 HB2 SER 9 -0.330 -9.457 0.559 63 HB3 SER 9 HB1 SER 9 -1.797 -10.428 0.472 64 HG SER 9 HG SER 9 -1.337 -7.805 -0.498 65 H HIS 10 HN HIS 10 0.397 -8.170 2.916 66 HA HIS 10 HA HIS 10 1.029 -10.601 4.273 67 HB2 HIS 10 HB2 HIS 10 2.535 -8.532 3.686 68 HB3 HIS 10 HB1 HIS 10 2.014 -7.934 5.254 69 HD2 HIS 10 HD2 HIS 10 5.168 -9.082 4.660 70 HE1 HIS 10 HE1 HIS 10 3.972 -12.160 7.289 71 HE2 HIS 10 HE2 HIS 10 5.963 -11.027 6.191 72 H LEU 11 HN LEU 11 -0.751 -7.722 5.250 73 HA LEU 11 HA LEU 11 -0.956 -8.477 8.024 74 HB2 LEU 11 HB2 LEU 11 -1.261 -6.130 7.223 75 HB3 LEU 11 HB1 LEU 11 -2.706 -6.636 6.365 76 HG LEU 11 HG LEU 11 -3.891 -7.008 8.354 77 HD11 LEU 11 HD11 LEU 11 -2.697 -6.701 10.635 78 HD12 LEU 11 HD12 LEU 11 -1.212 -6.962 9.737 79 HD13 LEU 11 HD13 LEU 11 -2.445 -8.223 9.784 80 HD21 LEU 11 HD21 LEU 11 -3.011 -4.522 7.752 81 HD22 LEU 11 HD22 LEU 11 -2.391 -4.659 9.398 82 HD23 LEU 11 HD23 LEU 11 -4.112 -4.863 9.079 83 H VAL 12 HN VAL 12 -3.147 -8.681 5.259 84 HA VAL 12 HA VAL 12 -5.252 -10.062 6.585 85 HB VAL 12 HB VAL 12 -4.281 -9.969 3.724 86 HG11 VAL 12 HG11 VAL 12 -6.783 -11.027 3.431 87 HG12 VAL 12 HG12 VAL 12 -6.281 -11.849 4.904 88 HG13 VAL 12 HG13 VAL 12 -5.319 -12.008 3.443 89 HG21 VAL 12 HG21 VAL 12 -5.388 -8.005 4.821 90 HG22 VAL 12 HG22 VAL 12 -6.839 -8.990 5.004 91 HG23 VAL 12 HG23 VAL 12 -6.233 -8.602 3.393 92 H GLU 13 HN GLU 13 -2.759 -11.408 4.439 93 HA GLU 13 HA GLU 13 -3.151 -14.110 4.850 94 HB2 GLU 13 HB2 GLU 13 -0.506 -12.640 4.679 95 HB3 GLU 13 HB1 GLU 13 -0.682 -14.388 4.511 96 HG2 GLU 13 HG2 GLU 13 -1.928 -14.195 2.514 97 HG3 GLU 13 HG1 GLU 13 -2.298 -12.496 2.807 98 H ALA 14 HN ALA 14 -1.775 -11.808 7.145 99 HA ALA 14 HA ALA 14 -0.926 -13.971 8.965 100 HB1 ALA 14 HB1 ALA 14 0.488 -12.128 9.159 101 HB2 ALA 14 HB2 ALA 14 -0.633 -11.810 10.483 102 HB3 ALA 14 HB3 ALA 14 -0.823 -10.972 8.944 103 H LEU 15 HN LEU 15 -3.217 -11.207 9.316 104 HA LEU 15 HA LEU 15 -4.489 -12.013 11.651 105 HB2 LEU 15 HB2 LEU 15 -5.607 -10.702 9.176 106 HB3 LEU 15 HB1 LEU 15 -6.616 -10.994 10.585 107 HG LEU 15 HG LEU 15 -3.977 -9.599 10.967 108 HD11 LEU 15 HD11 LEU 15 -6.495 -8.047 10.359 109 HD12 LEU 15 HD12 LEU 15 -5.377 -8.485 9.077 110 HD13 LEU 15 HD13 LEU 15 -4.836 -7.473 10.411 111 HD21 LEU 15 HD21 LEU 15 -6.693 -9.337 12.305 112 HD22 LEU 15 HD22 LEU 15 -5.202 -8.563 12.829 113 HD23 LEU 15 HD23 LEU 15 -5.361 -10.312 12.920 114 H TYR 16 HN TYR 16 -5.006 -13.240 8.383 115 HA TYR 16 HA TYR 16 -7.329 -14.755 8.763 116 HB2 TYR 16 HB2 TYR 16 -6.591 -14.783 6.561 117 HB3 TYR 16 HB1 TYR 16 -4.908 -14.952 7.026 118 HD1 TYR 16 HD1 TYR 16 -4.038 -16.910 6.076 119 HD2 TYR 16 HD2 TYR 16 -7.962 -16.989 7.824 120 HE1 TYR 16 HE1 TYR 16 -4.162 -19.351 5.684 121 HE2 TYR 16 HE2 TYR 16 -8.087 -19.434 7.427 122 HH TYR 16 HH TYR 16 -6.473 -21.052 5.400 123 H LEU 17 HN LEU 17 -3.973 -15.583 9.623 124 HA LEU 17 HA LEU 17 -4.710 -18.202 10.680 125 HB2 LEU 17 HB2 LEU 17 -2.204 -16.508 10.926 126 HB3 LEU 17 HB1 LEU 17 -2.374 -18.096 11.663 127 HG LEU 17 HG LEU 17 -3.037 -18.873 9.232 128 HD11 LEU 17 HD11 LEU 17 -3.151 -16.643 8.225 129 HD12 LEU 17 HD12 LEU 17 -1.822 -17.542 7.504 130 HD13 LEU 17 HD13 LEU 17 -1.493 -16.314 8.725 131 HD21 LEU 17 HD21 LEU 17 -0.208 -18.103 10.015 132 HD22 LEU 17 HD22 LEU 17 -0.618 -19.217 8.710 133 HD23 LEU 17 HD23 LEU 17 -1.015 -19.628 10.379 134 H VAL 18 HN VAL 18 -3.689 -15.110 12.105 135 HA VAL 18 HA VAL 18 -3.910 -15.731 14.826 136 HB VAL 18 HB VAL 18 -4.885 -13.149 13.582 137 HG11 VAL 18 HG11 VAL 18 -4.217 -12.139 15.643 138 HG12 VAL 18 HG12 VAL 18 -3.447 -13.630 16.188 139 HG13 VAL 18 HG13 VAL 18 -5.203 -13.544 16.045 140 HG21 VAL 18 HG21 VAL 18 -2.452 -12.433 13.913 141 HG22 VAL 18 HG22 VAL 18 -2.743 -13.548 12.580 142 HG23 VAL 18 HG23 VAL 18 -2.072 -14.146 14.096 143 H CYS 19 HN CYS 19 -6.482 -14.390 12.750 144 HA CYS 19 HA CYS 19 -8.547 -14.866 14.751 145 HB2 CYS 19 HB2 CYS 19 -8.971 -14.246 11.823 146 HB3 CYS 19 HB1 CYS 19 -10.002 -13.820 13.194 147 H GLY 20 HN GLY 20 -7.153 -16.679 12.135 148 HA2 GLY 20 HA2 GLY 20 -7.733 -18.766 11.219 149 HA3 GLY 20 HA1 GLY 20 -8.433 -19.101 12.806 150 H GLU 21 HN GLU 21 -10.586 -19.526 12.758 151 HA GLU 21 HA GLU 21 -12.152 -18.825 10.366 152 HB2 GLU 21 HB2 GLU 21 -12.816 -20.344 12.901 153 HB3 GLU 21 HB1 GLU 21 -13.990 -20.041 11.621 154 HG2 GLU 21 HG2 GLU 21 -12.533 -21.194 10.000 155 HG3 GLU 21 HG1 GLU 21 -11.351 -21.493 11.274 156 H ARG 22 HN ARG 22 -11.640 -17.591 13.567 157 HA ARG 22 HA ARG 22 -14.067 -16.236 14.047 158 HB2 ARG 22 HB2 ARG 22 -11.283 -15.178 14.624 159 HB3 ARG 22 HB1 ARG 22 -12.774 -14.723 15.451 160 HG2 ARG 22 HG2 ARG 22 -13.053 -17.106 16.156 161 HG3 ARG 22 HG1 ARG 22 -11.481 -17.465 15.445 162 HD2 ARG 22 HD2 ARG 22 -10.909 -15.276 17.060 163 HD3 ARG 22 HD1 ARG 22 -12.111 -16.139 18.013 164 HE ARG 22 HE ARG 22 -9.414 -16.875 17.838 165 HH11 ARG 22 HH11 ARG 22 -8.641 -18.966 18.097 166 HH12 ARG 22 HH12 ARG 22 -9.714 -20.309 17.888 167 HH21 ARG 22 HH21 ARG 22 -12.472 -18.347 17.178 168 HH22 ARG 22 HH22 ARG 22 -11.874 -19.958 17.363 169 H GLY 23 HN GLY 23 -11.329 -15.337 11.983 170 HA2 GLY 23 HA2 GLY 23 -11.312 -13.870 10.140 171 HA3 GLY 23 HA1 GLY 23 -13.048 -13.657 10.354 172 H PHE 24 HN PHE 24 -11.353 -11.522 9.732 173 HA PHE 24 HA PHE 24 -11.669 -9.801 12.159 174 HB2 PHE 24 HB2 PHE 24 -9.526 -8.662 11.552 175 HB3 PHE 24 HB1 PHE 24 -9.300 -10.330 12.051 176 HD1 PHE 24 HD1 PHE 24 -9.288 -12.149 10.182 177 HD2 PHE 24 HD2 PHE 24 -8.701 -7.948 9.475 178 HE1 PHE 24 HE1 PHE 24 -8.237 -12.668 7.993 179 HE2 PHE 24 HE2 PHE 24 -7.644 -8.471 7.280 180 HZ PHE 24 HZ PHE 24 -7.434 -10.827 6.553 181 H PHE 25 HN PHE 25 -11.462 -7.397 11.360 182 HA PHE 25 HA PHE 25 -12.872 -7.171 8.725 183 HB2 PHE 25 HB2 PHE 25 -14.025 -5.307 9.611 184 HB3 PHE 25 HB1 PHE 25 -14.011 -6.480 10.930 185 HD1 PHE 25 HD1 PHE 25 -13.081 -3.186 9.911 186 HD2 PHE 25 HD2 PHE 25 -12.131 -6.301 12.684 187 HE1 PHE 25 HE1 PHE 25 -11.896 -1.536 11.336 188 HE2 PHE 25 HE2 PHE 25 -10.940 -4.665 14.111 189 HZ PHE 25 HZ PHE 25 -10.822 -2.282 13.444 190 H TYR 26 HN TYR 26 -11.628 -6.285 7.137 191 HA TYR 26 HA TYR 26 -9.118 -4.912 7.873 192 HB2 TYR 26 HB2 TYR 26 -9.523 -6.604 5.881 193 HB3 TYR 26 HB1 TYR 26 -10.102 -5.174 5.030 194 HD1 TYR 26 HD1 TYR 26 -7.253 -6.182 7.252 195 HD2 TYR 26 HD2 TYR 26 -8.504 -3.945 3.811 196 HE1 TYR 26 HE1 TYR 26 -4.902 -5.542 6.827 197 HE2 TYR 26 HE2 TYR 26 -6.145 -3.286 3.389 198 HH TYR 26 HH TYR 26 -3.545 -4.810 4.744 199 H THR 27 HN THR 27 -8.625 -2.755 7.043 200 HA THR 27 HA THR 27 -10.524 -0.812 7.623 201 HB THR 27 HB THR 27 -8.101 -0.374 7.289 202 HG1 THR 27 HG1 THR 27 -9.369 1.422 7.241 203 HG21 THR 27 HG21 THR 27 -8.022 -1.795 5.175 204 HG22 THR 27 HG22 THR 27 -7.139 -0.270 5.108 205 HG23 THR 27 HG23 THR 27 -8.717 -0.410 4.332 206 HA PRO 28 HA PRO 28 -13.320 -1.095 4.152 207 HB2 PRO 28 HB2 PRO 28 -14.191 1.589 4.115 208 HB3 PRO 28 HB1 PRO 28 -14.903 0.294 5.090 209 HG2 PRO 28 HG2 PRO 28 -13.102 2.500 5.945 210 HG3 PRO 28 HG1 PRO 28 -14.253 1.560 6.905 211 HD2 PRO 28 HD2 PRO 28 -11.470 1.221 6.976 212 HD3 PRO 28 HD1 PRO 28 -12.663 0.018 7.504 213 H ARG 29 HN ARG 29 -12.041 -1.316 2.319 214 HA ARG 29 HA ARG 29 -10.720 -0.702 0.484 215 HB2 ARG 29 HB2 ARG 29 -12.451 1.772 0.777 216 HB3 ARG 29 HB1 ARG 29 -11.597 1.277 -0.684 217 HG2 ARG 29 HG2 ARG 29 -13.604 0.273 -1.178 218 HG3 ARG 29 HG1 ARG 29 -12.971 -1.025 -0.186 219 HD2 ARG 29 HD2 ARG 29 -14.123 0.062 1.803 220 HD3 ARG 29 HD1 ARG 29 -14.883 1.181 0.678 221 HE ARG 29 HE ARG 29 -15.709 -1.511 1.268 222 HH11 ARG 29 HH11 ARG 29 -17.008 -2.723 -0.089 223 HH12 ARG 29 HH12 ARG 29 -17.266 -2.201 -1.720 224 HH21 ARG 29 HH21 ARG 29 -15.309 0.635 -1.411 225 HH22 ARG 29 HH22 ARG 29 -16.303 -0.310 -2.467 226 H THR 30 HN THR 30 -11.094 2.588 1.781 227 HA THR 30 HA THR 30 -8.239 2.627 2.587 228 HB THR 30 HB THR 30 -7.686 4.505 1.221 229 HG1 THR 30 HG1 THR 30 -9.321 5.483 -0.079 230 HG21 THR 30 HG21 THR 30 -8.034 3.665 -1.033 231 HG22 THR 30 HG22 THR 30 -9.402 2.691 -0.493 232 HG23 THR 30 HG23 THR 30 -7.770 2.298 0.050 233 H GLU 31 HN GLU 31 -10.729 5.133 2.026 234 HA GLU 31 HA GLU 31 -11.455 6.837 3.484 235 HB2 GLU 31 HB2 GLU 31 -11.594 4.437 5.334 236 HB3 GLU 31 HB1 GLU 31 -12.463 5.957 5.553 237 HG2 GLU 31 HG2 GLU 31 -12.753 4.150 3.135 238 HG3 GLU 31 HG1 GLU 31 -13.872 4.182 4.498 239 H GLU 32 HN GLU 32 -8.568 6.542 3.400 240 HA GLU 32 HA GLU 32 -7.299 6.438 5.908 241 HB2 GLU 32 HB2 GLU 32 -6.664 8.292 3.593 242 HB3 GLU 32 HB1 GLU 32 -5.566 7.895 4.916 243 HG2 GLU 32 HG2 GLU 32 -5.444 5.600 4.251 244 HG3 GLU 32 HG1 GLU 32 -6.790 5.786 3.125 245 H GLY 33 HN GLY 33 -9.355 8.892 4.557 246 HA2 GLY 33 HA2 GLY 33 -8.664 11.172 6.008 247 HA3 GLY 33 HA1 GLY 33 -10.326 10.772 5.588 248 H SER 34 HN SER 34 -10.665 8.450 7.094 249 HA SER 34 HA SER 34 -10.910 9.613 9.793 250 HB2 SER 34 HB2 SER 34 -12.809 8.370 8.847 251 HB3 SER 34 HB1 SER 34 -11.803 6.934 8.684 252 HG SER 34 HG SER 34 -12.831 6.702 10.603 253 H ARG 35 HN ARG 35 -10.718 7.260 11.329 254 HA ARG 35 HA ARG 35 -7.763 6.876 11.331 255 HB2 ARG 35 HB2 ARG 35 -8.289 5.843 13.647 256 HB3 ARG 35 HB1 ARG 35 -8.461 7.586 13.471 257 HG2 ARG 35 HG2 ARG 35 -10.892 7.292 13.097 258 HG3 ARG 35 HG1 ARG 35 -10.723 5.566 13.327 259 HD2 ARG 35 HD2 ARG 35 -11.445 6.522 15.423 260 HD3 ARG 35 HD1 ARG 35 -9.760 6.035 15.604 261 HE ARG 35 HE ARG 35 -9.596 8.683 14.811 262 HH11 ARG 35 HH11 ARG 35 -9.565 10.396 16.288 263 HH12 ARG 35 HH12 ARG 35 -10.278 10.185 17.853 264 HH21 ARG 35 HH21 ARG 35 -11.243 6.906 17.263 265 HH22 ARG 35 HH22 ARG 35 -11.227 8.208 18.406 266 H ARG 36 HN ARG 36 -9.363 4.497 13.070 267 HA ARG 36 HA ARG 36 -9.466 2.171 12.775 268 HB2 ARG 36 HB2 ARG 36 -10.438 3.179 10.097 269 HB3 ARG 36 HB1 ARG 36 -10.540 1.495 10.597 270 HG2 ARG 36 HG2 ARG 36 -11.651 3.630 12.407 271 HG3 ARG 36 HG1 ARG 36 -12.585 3.129 11.005 272 HD2 ARG 36 HD2 ARG 36 -12.391 0.751 11.787 273 HD3 ARG 36 HD1 ARG 36 -11.604 1.344 13.250 274 HE ARG 36 HE ARG 36 -13.965 2.785 13.144 275 HH11 ARG 36 HH11 ARG 36 -15.877 2.061 14.108 276 HH12 ARG 36 HH12 ARG 36 -16.113 0.364 14.365 277 HH21 ARG 36 HH21 ARG 36 -13.058 -0.538 12.998 278 HH22 ARG 36 HH22 ARG 36 -14.517 -1.107 13.737 279 H SER 37 HN SER 37 -8.745 2.791 9.407 280 HA SER 37 HA SER 37 -6.958 0.768 8.949 281 HB2 SER 37 HB2 SER 37 -7.020 1.789 6.923 282 HB3 SER 37 HB1 SER 37 -7.606 3.271 7.669 283 HG SER 37 HG SER 37 -5.554 3.453 6.561 284 H ARG 38 HN ARG 38 -5.813 4.057 9.867 285 HA ARG 38 HA ARG 38 -3.100 3.291 10.155 286 HB2 ARG 38 HB2 ARG 38 -2.992 5.293 11.755 287 HB3 ARG 38 HB1 ARG 38 -3.568 5.622 10.121 288 HG2 ARG 38 HG2 ARG 38 -5.824 5.738 10.810 289 HG3 ARG 38 HG1 ARG 38 -5.487 4.956 12.355 290 HD2 ARG 38 HD2 ARG 38 -4.335 7.646 11.572 291 HD3 ARG 38 HD1 ARG 38 -5.828 7.465 12.494 292 HE ARG 38 HE ARG 38 -4.006 5.954 13.919 293 HH11 ARG 38 HH11 ARG 38 -2.742 6.819 15.580 294 HH12 ARG 38 HH12 ARG 38 -2.381 8.513 15.584 295 HH21 ARG 38 HH21 ARG 38 -4.147 9.162 12.669 296 HH22 ARG 38 HH22 ARG 38 -3.177 9.841 13.933 297 H GLY 39 HN GLY 39 -5.784 2.444 12.064 298 HA2 GLY 39 HA2 GLY 39 -4.282 2.080 14.556 299 HA3 GLY 39 HA1 GLY 39 -5.948 1.581 14.267 300 H ILE 40 HN ILE 40 -5.519 0.019 11.932 301 HA ILE 40 HA ILE 40 -4.183 -2.336 13.160 302 HB ILE 40 HB ILE 40 -6.654 -2.153 12.249 303 HG12 ILE 40 HG12 ILE 40 -6.252 -4.256 13.098 304 HG13 ILE 40 HG11 ILE 40 -6.414 -4.672 11.408 305 HG21 ILE 40 HG21 ILE 40 -5.999 -1.394 10.004 306 HG22 ILE 40 HG22 ILE 40 -6.944 -2.876 9.956 307 HG23 ILE 40 HG23 ILE 40 -5.205 -2.939 9.714 308 HD11 ILE 40 HD11 ILE 40 -3.894 -4.536 13.071 309 HD12 ILE 40 HD12 ILE 40 -3.817 -4.403 11.318 310 HD13 ILE 40 HD13 ILE 40 -4.488 -5.840 12.057 311 H VAL 41 HN VAL 41 -4.361 -0.719 9.939 312 HA VAL 41 HA VAL 41 -2.276 -2.323 8.801 313 HB VAL 41 HB VAL 41 -2.873 0.497 7.901 314 HG11 VAL 41 HG11 VAL 41 -1.086 -0.729 6.739 315 HG12 VAL 41 HG12 VAL 41 -2.479 -0.530 5.676 316 HG13 VAL 41 HG13 VAL 41 -2.181 -2.083 6.457 317 HG21 VAL 41 HG21 VAL 41 -4.682 -0.691 6.477 318 HG22 VAL 41 HG22 VAL 41 -5.064 -0.355 8.162 319 HG23 VAL 41 HG23 VAL 41 -4.587 -1.981 7.675 320 H GLU 42 HN GLU 42 -2.019 1.163 9.661 321 HA GLU 42 HA GLU 42 0.780 1.288 9.384 322 HB2 GLU 42 HB2 GLU 42 -1.053 2.873 11.189 323 HB3 GLU 42 HB1 GLU 42 0.648 3.261 10.946 324 HG2 GLU 42 HG2 GLU 42 0.316 3.632 8.596 325 HG3 GLU 42 HG1 GLU 42 -1.323 2.984 8.665 326 H GLN 43 HN GLN 43 -1.005 0.834 12.477 327 HA GLN 43 HA GLN 43 1.157 0.611 14.192 328 HB2 GLN 43 HB2 GLN 43 -1.489 0.195 14.501 329 HB3 GLN 43 HB1 GLN 43 -0.962 -1.483 14.533 330 HG2 GLN 43 HG2 GLN 43 -0.198 0.765 16.403 331 HG3 GLN 43 HG1 GLN 43 -0.893 -0.803 16.803 332 HE21 GLN 43 HE21 GLN 43 0.556 -2.673 16.833 333 HE22 GLN 43 HE22 GLN 43 2.242 -2.484 16.829 334 H CYS 44 HN CYS 44 -0.170 -2.075 12.221 335 HA CYS 44 HA CYS 44 2.019 -3.838 13.024 336 HB2 CYS 44 HB2 CYS 44 -0.251 -4.122 11.030 337 HB3 CYS 44 HB1 CYS 44 0.916 -5.393 11.381 338 H CYS 45 HN CYS 45 0.981 -2.410 9.921 339 HA CYS 45 HA CYS 45 3.266 -3.222 8.426 340 HB2 CYS 45 HB2 CYS 45 1.189 -2.343 7.398 341 HB3 CYS 45 HB1 CYS 45 1.539 -0.755 8.071 342 H ARG 46 HN ARG 46 2.610 -0.078 10.012 343 HA ARG 46 HA ARG 46 5.201 0.989 9.421 344 HB2 ARG 46 HB2 ARG 46 3.005 2.194 10.171 345 HB3 ARG 46 HB1 ARG 46 3.551 1.844 11.807 346 HG2 ARG 46 HG2 ARG 46 5.523 3.139 9.935 347 HG3 ARG 46 HG1 ARG 46 4.213 4.127 10.562 348 HD2 ARG 46 HD2 ARG 46 4.849 3.617 12.853 349 HD3 ARG 46 HD1 ARG 46 6.088 2.495 12.296 350 HE ARG 46 HE ARG 46 6.773 4.877 11.070 351 HH11 ARG 46 HH11 ARG 46 8.152 6.387 12.026 352 HH12 ARG 46 HH12 ARG 46 8.305 6.432 13.751 353 HH21 ARG 46 HH21 ARG 46 6.072 3.832 14.281 354 HH22 ARG 46 HH22 ARG 46 7.128 4.984 15.028 355 H SER 47 HN SER 47 3.933 -0.839 12.197 356 HA SER 47 HA SER 47 6.763 -1.185 13.130 357 HB2 SER 47 HB2 SER 47 4.375 -0.544 14.889 358 HB3 SER 47 HB1 SER 47 5.982 -0.968 15.473 359 HG SER 47 HG SER 47 5.080 1.408 14.775 360 H ILE 48 HN ILE 48 7.157 -3.221 14.099 361 HA ILE 48 HA ILE 48 5.451 -5.358 13.191 362 HB ILE 48 HB ILE 48 7.607 -5.509 15.314 363 HG12 ILE 48 HG12 ILE 48 7.845 -5.697 12.292 364 HG13 ILE 48 HG11 ILE 48 8.442 -4.366 13.284 365 HG21 ILE 48 HG21 ILE 48 6.638 -7.555 13.298 366 HG22 ILE 48 HG22 ILE 48 6.104 -7.497 14.978 367 HG23 ILE 48 HG23 ILE 48 7.796 -7.820 14.601 368 HD11 ILE 48 HD11 ILE 48 10.311 -5.825 12.865 369 HD12 ILE 48 HD12 ILE 48 9.374 -7.247 13.327 370 HD13 ILE 48 HD13 ILE 48 9.836 -6.060 14.548 371 H CYS 49 HN CYS 49 3.397 -5.287 14.076 372 HA CYS 49 HA CYS 49 3.015 -4.872 16.958 373 HB2 CYS 49 HB2 CYS 49 0.639 -5.074 16.456 374 HB3 CYS 49 HB1 CYS 49 1.386 -4.027 15.256 375 H SER 50 HN SER 50 2.536 -6.490 18.448 376 HA SER 50 HA SER 50 3.365 -9.179 17.796 377 HB2 SER 50 HB2 SER 50 1.785 -8.362 20.239 378 HB3 SER 50 HB1 SER 50 2.928 -9.693 20.082 379 HG SER 50 HG SER 50 3.535 -7.451 21.034 380 H LEU 51 HN LEU 51 1.954 -11.102 18.060 381 HA LEU 51 HA LEU 51 -0.344 -11.022 16.419 382 HB2 LEU 51 HB2 LEU 51 0.096 -13.014 18.658 383 HB3 LEU 51 HB1 LEU 51 -0.788 -13.267 17.154 384 HG LEU 51 HG LEU 51 2.190 -12.724 17.364 385 HD11 LEU 51 HD11 LEU 51 1.423 -14.973 18.179 386 HD12 LEU 51 HD12 LEU 51 2.470 -15.054 16.762 387 HD13 LEU 51 HD13 LEU 51 0.727 -15.260 16.585 388 HD21 LEU 51 HD21 LEU 51 2.007 -13.520 14.895 389 HD22 LEU 51 HD22 LEU 51 1.492 -11.875 15.262 390 HD23 LEU 51 HD23 LEU 51 0.290 -13.148 15.051 391 H TYR 52 HN TYR 52 0.014 -10.489 19.877 392 HA TYR 52 HA TYR 52 -2.623 -10.761 20.766 393 HB2 TYR 52 HB2 TYR 52 -0.448 -9.960 22.019 394 HB3 TYR 52 HB1 TYR 52 -1.018 -8.347 21.608 395 HD1 TYR 52 HD1 TYR 52 -3.352 -7.668 22.302 396 HD2 TYR 52 HD2 TYR 52 -1.435 -11.201 23.796 397 HE1 TYR 52 HE1 TYR 52 -4.966 -7.741 24.188 398 HE2 TYR 52 HE2 TYR 52 -3.044 -11.281 25.683 399 HH TYR 52 HH TYR 52 -5.878 -9.363 25.761 400 H GLN 53 HN GLN 53 -1.162 -7.824 19.320 401 HA GLN 53 HA GLN 53 -3.592 -6.312 19.251 402 HB2 GLN 53 HB2 GLN 53 -1.251 -6.132 17.333 403 HB3 GLN 53 HB1 GLN 53 -2.439 -4.870 17.663 404 HG2 GLN 53 HG2 GLN 53 -1.707 -4.939 20.081 405 HG3 GLN 53 HG1 GLN 53 -0.391 -6.003 19.584 406 HE21 GLN 53 HE21 GLN 53 -1.708 -3.199 17.777 407 HE22 GLN 53 HE22 GLN 53 -0.261 -2.312 17.790 408 H LEU 54 HN LEU 54 -2.006 -8.277 16.704 409 HA LEU 54 HA LEU 54 -4.004 -7.938 14.741 410 HB2 LEU 54 HB2 LEU 54 -2.293 -10.344 15.289 411 HB3 LEU 54 HB1 LEU 54 -3.214 -10.090 13.811 412 HG LEU 54 HG LEU 54 -1.092 -8.216 14.868 413 HD11 LEU 54 HD11 LEU 54 -0.939 -10.068 12.470 414 HD12 LEU 54 HD12 LEU 54 -0.300 -10.492 14.059 415 HD13 LEU 54 HD13 LEU 54 0.367 -9.120 13.182 416 HD21 LEU 54 HD21 LEU 54 -2.934 -8.182 12.490 417 HD22 LEU 54 HD22 LEU 54 -1.327 -7.483 12.330 418 HD23 LEU 54 HD23 LEU 54 -2.438 -6.855 13.538 419 H GLU 55 HN GLU 55 -3.808 -9.994 17.512 420 HA GLU 55 HA GLU 55 -6.156 -11.567 16.890 421 HB2 GLU 55 HB2 GLU 55 -4.203 -12.137 18.508 422 HB3 GLU 55 HB1 GLU 55 -5.088 -11.146 19.663 423 HG2 GLU 55 HG2 GLU 55 -7.131 -12.582 19.137 424 HG3 GLU 55 HG1 GLU 55 -6.028 -13.673 18.298 425 H ASN 56 HN ASN 56 -5.693 -8.395 17.855 426 HA ASN 56 HA ASN 56 -8.019 -8.154 19.605 427 HB2 ASN 56 HB2 ASN 56 -5.892 -6.686 19.562 428 HB3 ASN 56 HB1 ASN 56 -6.636 -5.879 18.182 429 HD21 ASN 56 HD21 ASN 56 -6.121 -4.747 20.896 430 HD22 ASN 56 HD22 ASN 56 -7.635 -4.268 21.493 431 H TYR 57 HN TYR 57 -7.487 -8.004 16.171 432 HA TYR 57 HA TYR 57 -10.100 -6.648 15.728 433 HB2 TYR 57 HB2 TYR 57 -8.159 -7.538 13.601 434 HB3 TYR 57 HB1 TYR 57 -9.327 -6.228 13.536 435 HD1 TYR 57 HD1 TYR 57 -8.945 -4.140 14.962 436 HD2 TYR 57 HD2 TYR 57 -6.023 -7.223 14.516 437 HE1 TYR 57 HE1 TYR 57 -7.208 -2.595 15.783 438 HE2 TYR 57 HE2 TYR 57 -4.260 -5.685 15.350 439 HH TYR 57 HH TYR 57 -3.791 -3.568 15.905 440 H CYS 58 HN CYS 58 -8.900 -9.785 16.012 441 HA CYS 58 HA CYS 58 -10.284 -11.154 13.946 442 HB2 CYS 58 HB2 CYS 58 -9.606 -12.085 16.744 443 HB3 CYS 58 HB1 CYS 58 -10.101 -13.132 15.420 444 H GLY 59 HN GLY 59 -12.378 -10.509 13.626 445 HA2 GLY 59 HA2 GLY 59 -14.424 -11.611 15.294 446 HA3 GLY 59 HA1 GLY 59 -14.280 -9.887 15.636 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 4.650 -15.992 10.439 2 H2 PHE 1 HT2 PHE 1 5.455 -16.787 11.707 3 H3 PHE 1 HT3 PHE 1 6.343 -15.950 10.524 4 HA PHE 1 HA PHE 1 5.042 -13.898 11.291 5 HB2 PHE 1 HB2 PHE 1 4.248 -16.008 13.194 6 HB3 PHE 1 HB1 PHE 1 4.856 -14.573 14.007 7 HD1 PHE 1 HD1 PHE 1 1.921 -16.042 13.019 8 HD2 PHE 1 HD2 PHE 1 3.989 -12.288 12.630 9 HE1 PHE 1 HE1 PHE 1 -0.236 -14.891 12.676 10 HE2 PHE 1 HE2 PHE 1 1.818 -11.127 12.284 11 HZ PHE 1 HZ PHE 1 -0.303 -12.438 12.321 12 H VAL 2 HN VAL 2 7.313 -13.498 10.728 13 HA VAL 2 HA VAL 2 9.367 -14.169 12.717 14 HB VAL 2 HB VAL 2 9.756 -12.186 10.491 15 HG11 VAL 2 HG11 VAL 2 11.512 -14.396 11.582 16 HG12 VAL 2 HG12 VAL 2 11.590 -12.713 12.106 17 HG13 VAL 2 HG13 VAL 2 11.991 -13.138 10.442 18 HG21 VAL 2 HG21 VAL 2 8.560 -13.935 9.384 19 HG22 VAL 2 HG22 VAL 2 9.483 -15.176 10.231 20 HG23 VAL 2 HG23 VAL 2 10.270 -14.164 9.020 21 H ASN 3 HN ASN 3 10.400 -11.297 11.911 22 HA ASN 3 HA ASN 3 8.791 -9.734 13.901 23 HB2 ASN 3 HB2 ASN 3 10.986 -10.628 14.864 24 HB3 ASN 3 HB1 ASN 3 11.808 -9.588 13.701 25 HD21 ASN 3 HD21 ASN 3 9.225 -9.368 16.216 26 HD22 ASN 3 HD22 ASN 3 9.657 -7.809 16.728 27 H GLN 4 HN GLN 4 8.189 -9.450 11.349 28 HA GLN 4 HA GLN 4 9.685 -7.028 10.388 29 HB2 GLN 4 HB2 GLN 4 8.612 -7.748 8.129 30 HB3 GLN 4 HB1 GLN 4 9.993 -8.671 8.722 31 HG2 GLN 4 HG2 GLN 4 8.581 -10.426 9.551 32 HG3 GLN 4 HG1 GLN 4 7.125 -9.463 9.297 33 HE21 GLN 4 HE21 GLN 4 7.793 -12.117 8.084 34 HE22 GLN 4 HE22 GLN 4 7.769 -11.874 6.404 35 H HIS 5 HN HIS 5 8.163 -5.632 8.969 36 HA HIS 5 HA HIS 5 5.768 -5.059 10.577 37 HB2 HIS 5 HB2 HIS 5 6.756 -3.611 8.110 38 HB3 HIS 5 HB1 HIS 5 5.678 -3.001 9.354 39 HD2 HIS 5 HD2 HIS 5 7.109 -3.015 12.047 40 HE1 HIS 5 HE1 HIS 5 10.747 -2.080 10.132 41 HE2 HIS 5 HE2 HIS 5 9.542 -2.157 12.367 42 H LEU 6 HN LEU 6 3.684 -5.326 9.874 43 HA LEU 6 HA LEU 6 3.262 -6.961 7.424 44 HB2 LEU 6 HB2 LEU 6 1.828 -6.454 9.985 45 HB3 LEU 6 HB1 LEU 6 0.803 -6.711 8.584 46 HG LEU 6 HG LEU 6 1.745 -8.888 8.193 47 HD11 LEU 6 HD11 LEU 6 3.841 -7.954 10.138 48 HD12 LEU 6 HD12 LEU 6 4.048 -8.763 8.585 49 HD13 LEU 6 HD13 LEU 6 3.511 -9.680 9.986 50 HD21 LEU 6 HD21 LEU 6 0.050 -8.846 9.927 51 HD22 LEU 6 HD22 LEU 6 1.245 -8.397 11.133 52 HD23 LEU 6 HD23 LEU 6 1.304 -9.982 10.388 53 H CYS 7 HN CYS 7 2.808 -5.810 5.569 54 HA CYS 7 HA CYS 7 1.028 -3.416 5.818 55 HB2 CYS 7 HB2 CYS 7 3.441 -3.691 4.012 56 HB3 CYS 7 HB1 CYS 7 2.344 -2.310 4.070 57 H GLY 8 HN GLY 8 -0.739 -3.594 4.647 58 HA2 GLY 8 HA2 GLY 8 -2.250 -4.261 3.009 59 HA3 GLY 8 HA1 GLY 8 -0.862 -4.434 1.937 60 H SER 9 HN SER 9 -1.220 -6.381 0.984 61 HA SER 9 HA SER 9 -2.568 -8.609 1.874 62 HB2 SER 9 HB2 SER 9 0.025 -8.620 0.305 63 HB3 SER 9 HB1 SER 9 -1.112 -9.962 0.401 64 HG SER 9 HG SER 9 -1.932 -7.381 -0.397 65 H HIS 10 HN HIS 10 0.620 -7.567 2.951 66 HA HIS 10 HA HIS 10 1.356 -10.062 4.163 67 HB2 HIS 10 HB2 HIS 10 2.717 -7.797 3.703 68 HB3 HIS 10 HB1 HIS 10 2.264 -7.475 5.371 69 HD2 HIS 10 HD2 HIS 10 2.728 -10.419 6.714 70 HE1 HIS 10 HE1 HIS 10 6.558 -10.312 4.936 71 HE2 HIS 10 HE2 HIS 10 5.120 -11.439 6.704 72 H LEU 11 HN LEU 11 -0.619 -7.349 5.195 73 HA LEU 11 HA LEU 11 -0.800 -8.198 7.943 74 HB2 LEU 11 HB2 LEU 11 -1.251 -5.849 7.227 75 HB3 LEU 11 HB1 LEU 11 -2.648 -6.414 6.328 76 HG LEU 11 HG LEU 11 -3.844 -6.921 8.275 77 HD11 LEU 11 HD11 LEU 11 -1.199 -6.807 9.723 78 HD12 LEU 11 HD12 LEU 11 -2.352 -8.140 9.665 79 HD13 LEU 11 HD13 LEU 11 -2.720 -6.688 10.592 80 HD21 LEU 11 HD21 LEU 11 -3.108 -4.374 7.817 81 HD22 LEU 11 HD22 LEU 11 -2.454 -4.556 9.444 82 HD23 LEU 11 HD23 LEU 11 -4.169 -4.832 9.144 83 H VAL 12 HN VAL 12 -3.011 -8.424 5.175 84 HA VAL 12 HA VAL 12 -4.990 -10.008 6.455 85 HB VAL 12 HB VAL 12 -4.058 -9.911 3.570 86 HG11 VAL 12 HG11 VAL 12 -5.579 -11.503 2.961 87 HG12 VAL 12 HG12 VAL 12 -6.845 -10.779 3.942 88 HG13 VAL 12 HG13 VAL 12 -5.728 -11.928 4.660 89 HG21 VAL 12 HG21 VAL 12 -4.970 -7.835 4.652 90 HG22 VAL 12 HG22 VAL 12 -6.492 -8.693 4.893 91 HG23 VAL 12 HG23 VAL 12 -5.900 -8.388 3.259 92 H GLU 13 HN GLU 13 -2.395 -11.098 4.266 93 HA GLU 13 HA GLU 13 -2.607 -13.832 4.551 94 HB2 GLU 13 HB2 GLU 13 -0.085 -12.157 4.475 95 HB3 GLU 13 HB1 GLU 13 -0.097 -13.912 4.289 96 HG2 GLU 13 HG2 GLU 13 -1.338 -13.808 2.276 97 HG3 GLU 13 HG1 GLU 13 -1.832 -12.141 2.571 98 H ALA 14 HN ALA 14 -1.442 -11.562 6.979 99 HA ALA 14 HA ALA 14 -0.486 -13.757 8.711 100 HB1 ALA 14 HB1 ALA 14 0.431 -12.088 10.033 101 HB2 ALA 14 HB2 ALA 14 -0.877 -10.951 9.708 102 HB3 ALA 14 HB3 ALA 14 0.366 -11.238 8.492 103 H LEU 15 HN LEU 15 -2.949 -11.162 9.103 104 HA LEU 15 HA LEU 15 -4.224 -12.110 11.384 105 HB2 LEU 15 HB2 LEU 15 -5.346 -10.800 8.912 106 HB3 LEU 15 HB1 LEU 15 -6.378 -11.193 10.279 107 HG LEU 15 HG LEU 15 -3.838 -9.664 10.801 108 HD11 LEU 15 HD11 LEU 15 -6.408 -8.240 10.100 109 HD12 LEU 15 HD12 LEU 15 -5.192 -8.573 8.877 110 HD13 LEU 15 HD13 LEU 15 -4.793 -7.573 10.266 111 HD21 LEU 15 HD21 LEU 15 -5.256 -10.492 12.673 112 HD22 LEU 15 HD22 LEU 15 -6.622 -9.591 12.018 113 HD23 LEU 15 HD23 LEU 15 -5.208 -8.734 12.617 114 H TYR 16 HN TYR 16 -4.584 -13.260 8.066 115 HA TYR 16 HA TYR 16 -6.810 -14.935 8.332 116 HB2 TYR 16 HB2 TYR 16 -6.011 -14.832 6.152 117 HB3 TYR 16 HB1 TYR 16 -4.333 -14.922 6.660 118 HD1 TYR 16 HD1 TYR 16 -3.328 -16.788 5.664 119 HD2 TYR 16 HD2 TYR 16 -7.283 -17.158 7.301 120 HE1 TYR 16 HE1 TYR 16 -3.296 -19.215 5.185 121 HE2 TYR 16 HE2 TYR 16 -7.254 -19.590 6.814 122 HH TYR 16 HH TYR 16 -4.699 -21.054 4.928 123 H LEU 17 HN LEU 17 -3.424 -15.582 9.235 124 HA LEU 17 HA LEU 17 -4.009 -18.273 10.193 125 HB2 LEU 17 HB2 LEU 17 -1.629 -16.424 10.563 126 HB3 LEU 17 HB1 LEU 17 -1.709 -18.047 11.237 127 HG LEU 17 HG LEU 17 -2.260 -18.775 8.764 128 HD11 LEU 17 HD11 LEU 17 -1.100 -17.306 7.114 129 HD12 LEU 17 HD12 LEU 17 -0.885 -16.101 8.381 130 HD13 LEU 17 HD13 LEU 17 -2.504 -16.525 7.832 131 HD21 LEU 17 HD21 LEU 17 -0.221 -19.445 9.925 132 HD22 LEU 17 HD22 LEU 17 0.489 -17.852 9.660 133 HD23 LEU 17 HD23 LEU 17 0.194 -18.926 8.292 134 H VAL 18 HN VAL 18 -3.265 -15.162 11.735 135 HA VAL 18 HA VAL 18 -3.493 -15.892 14.432 136 HB VAL 18 HB VAL 18 -4.627 -13.343 13.250 137 HG11 VAL 18 HG11 VAL 18 -3.256 -13.823 15.891 138 HG12 VAL 18 HG12 VAL 18 -5.006 -13.849 15.683 139 HG13 VAL 18 HG13 VAL 18 -4.103 -12.367 15.372 140 HG21 VAL 18 HG21 VAL 18 -2.302 -13.844 12.414 141 HG22 VAL 18 HG22 VAL 18 -1.767 -13.886 14.093 142 HG23 VAL 18 HG23 VAL 18 -2.395 -12.392 13.406 143 H CYS 19 HN CYS 19 -6.115 -14.667 12.346 144 HA CYS 19 HA CYS 19 -8.184 -15.371 14.273 145 HB2 CYS 19 HB2 CYS 19 -8.582 -14.697 11.353 146 HB3 CYS 19 HB1 CYS 19 -9.673 -14.388 12.708 147 H GLY 20 HN GLY 20 -6.621 -16.965 11.597 148 HA2 GLY 20 HA2 GLY 20 -7.004 -19.071 10.627 149 HA3 GLY 20 HA1 GLY 20 -7.740 -19.503 12.173 150 H GLU 21 HN GLU 21 -9.865 -20.037 12.048 151 HA GLU 21 HA GLU 21 -11.374 -19.396 9.604 152 HB2 GLU 21 HB2 GLU 21 -12.405 -20.820 12.065 153 HB3 GLU 21 HB1 GLU 21 -13.024 -20.923 10.417 154 HG2 GLU 21 HG2 GLU 21 -11.759 -22.908 10.686 155 HG3 GLU 21 HG1 GLU 21 -10.689 -21.831 9.790 156 H ARG 22 HN ARG 22 -11.129 -18.216 12.873 157 HA ARG 22 HA ARG 22 -13.669 -17.035 13.209 158 HB2 ARG 22 HB2 ARG 22 -10.942 -16.022 14.065 159 HB3 ARG 22 HB1 ARG 22 -12.471 -15.346 14.630 160 HG2 ARG 22 HG2 ARG 22 -13.125 -17.602 15.460 161 HG3 ARG 22 HG1 ARG 22 -11.539 -18.209 14.990 162 HD2 ARG 22 HD2 ARG 22 -10.864 -15.997 16.511 163 HD3 ARG 22 HD1 ARG 22 -12.300 -16.582 17.347 164 HE ARG 22 HE ARG 22 -9.745 -17.722 17.590 165 HH11 ARG 22 HH11 ARG 22 -9.349 -19.878 18.084 166 HH12 ARG 22 HH12 ARG 22 -10.601 -21.053 17.853 167 HH21 ARG 22 HH21 ARG 22 -12.915 -18.764 16.689 168 HH22 ARG 22 HH22 ARG 22 -12.610 -20.424 17.060 169 H GLY 23 HN GLY 23 -10.865 -15.904 11.364 170 HA2 GLY 23 HA2 GLY 23 -10.824 -14.373 9.571 171 HA3 GLY 23 HA1 GLY 23 -12.580 -14.264 9.686 172 H PHE 24 HN PHE 24 -11.045 -11.998 9.234 173 HA PHE 24 HA PHE 24 -11.552 -10.417 11.722 174 HB2 PHE 24 HB2 PHE 24 -9.473 -9.106 11.233 175 HB3 PHE 24 HB1 PHE 24 -9.152 -10.773 11.682 176 HD1 PHE 24 HD1 PHE 24 -8.961 -12.514 9.750 177 HD2 PHE 24 HD2 PHE 24 -8.619 -8.261 9.218 178 HE1 PHE 24 HE1 PHE 24 -7.808 -12.884 7.585 179 HE2 PHE 24 HE2 PHE 24 -7.457 -8.633 7.043 180 HZ PHE 24 HZ PHE 24 -7.073 -10.945 6.241 181 H PHE 25 HN PHE 25 -11.479 -7.967 11.037 182 HA PHE 25 HA PHE 25 -12.832 -7.711 8.375 183 HB2 PHE 25 HB2 PHE 25 -14.134 -5.977 9.314 184 HB3 PHE 25 HB1 PHE 25 -14.064 -7.201 10.584 185 HD1 PHE 25 HD1 PHE 25 -13.318 -3.815 9.703 186 HD2 PHE 25 HD2 PHE 25 -12.265 -6.960 12.406 187 HE1 PHE 25 HE1 PHE 25 -12.278 -2.147 11.218 188 HE2 PHE 25 HE2 PHE 25 -11.220 -5.304 13.922 189 HZ PHE 25 HZ PHE 25 -11.226 -2.897 13.335 190 H TYR 26 HN TYR 26 -11.631 -6.647 6.860 191 HA TYR 26 HA TYR 26 -9.264 -5.093 7.742 192 HB2 TYR 26 HB2 TYR 26 -9.403 -6.797 5.724 193 HB3 TYR 26 HB1 TYR 26 -10.069 -5.420 4.850 194 HD1 TYR 26 HD1 TYR 26 -7.215 -6.323 7.103 195 HD2 TYR 26 HD2 TYR 26 -8.579 -3.887 3.843 196 HE1 TYR 26 HE1 TYR 26 -4.918 -5.448 6.806 197 HE2 TYR 26 HE2 TYR 26 -6.278 -3.000 3.550 198 HH TYR 26 HH TYR 26 -3.649 -3.949 5.749 199 H THR 27 HN THR 27 -8.929 -2.930 6.525 200 HA THR 27 HA THR 27 -11.160 -1.233 7.124 201 HB THR 27 HB THR 27 -8.880 -0.388 7.268 202 HG1 THR 27 HG1 THR 27 -9.175 1.384 5.599 203 HG21 THR 27 HG21 THR 27 -7.953 -1.813 5.463 204 HG22 THR 27 HG22 THR 27 -7.497 -0.121 5.268 205 HG23 THR 27 HG23 THR 27 -8.777 -0.810 4.270 206 HA PRO 28 HA PRO 28 -13.440 -1.627 3.320 207 HB2 PRO 28 HB2 PRO 28 -14.246 1.138 3.155 208 HB3 PRO 28 HB1 PRO 28 -15.183 -0.214 3.799 209 HG2 PRO 28 HG2 PRO 28 -13.799 1.922 5.263 210 HG3 PRO 28 HG1 PRO 28 -14.971 0.741 5.871 211 HD2 PRO 28 HD2 PRO 28 -12.185 0.729 6.393 212 HD3 PRO 28 HD1 PRO 28 -13.318 -0.600 6.691 213 H ARG 29 HN ARG 29 -12.485 1.759 2.997 214 HA ARG 29 HA ARG 29 -10.214 1.208 1.265 215 HB2 ARG 29 HB2 ARG 29 -11.297 2.209 -0.773 216 HB3 ARG 29 HB1 ARG 29 -11.942 0.631 -0.332 217 HG2 ARG 29 HG2 ARG 29 -13.356 2.928 0.939 218 HG3 ARG 29 HG1 ARG 29 -13.497 2.869 -0.814 219 HD2 ARG 29 HD2 ARG 29 -14.094 0.491 0.980 220 HD3 ARG 29 HD1 ARG 29 -15.317 1.630 0.419 221 HE ARG 29 HE ARG 29 -14.070 0.830 -1.914 222 HH11 ARG 29 HH11 ARG 29 -14.779 -0.944 -3.119 223 HH12 ARG 29 HH12 ARG 29 -15.641 -2.223 -2.330 224 HH21 ARG 29 HH21 ARG 29 -15.503 -0.740 0.802 225 HH22 ARG 29 HH22 ARG 29 -16.051 -2.107 -0.110 226 H THR 30 HN THR 30 -11.646 3.024 3.464 227 HA THR 30 HA THR 30 -11.506 5.711 2.538 228 HB THR 30 HB THR 30 -11.263 6.297 4.955 229 HG1 THR 30 HG1 THR 30 -10.814 3.524 5.064 230 HG21 THR 30 HG21 THR 30 -13.493 5.914 4.126 231 HG22 THR 30 HG22 THR 30 -13.368 5.113 5.693 232 HG23 THR 30 HG23 THR 30 -13.279 4.165 4.208 233 H GLU 31 HN GLU 31 -9.526 5.606 1.200 234 HA GLU 31 HA GLU 31 -6.933 5.079 2.234 235 HB2 GLU 31 HB2 GLU 31 -7.684 7.102 0.100 236 HB3 GLU 31 HB1 GLU 31 -6.099 6.360 0.327 237 HG2 GLU 31 HG2 GLU 31 -7.204 4.112 -0.021 238 HG3 GLU 31 HG1 GLU 31 -8.669 4.979 -0.483 239 H GLU 32 HN GLU 32 -9.105 7.548 3.032 240 HA GLU 32 HA GLU 32 -7.138 9.617 3.623 241 HB2 GLU 32 HB2 GLU 32 -9.982 9.334 4.634 242 HB3 GLU 32 HB1 GLU 32 -9.003 10.802 4.656 243 HG2 GLU 32 HG2 GLU 32 -9.736 9.313 2.121 244 HG3 GLU 32 HG1 GLU 32 -10.643 10.692 2.742 245 H GLY 33 HN GLY 33 -8.519 6.893 5.288 246 HA2 GLY 33 HA2 GLY 33 -7.625 5.873 7.250 247 HA3 GLY 33 HA1 GLY 33 -6.638 7.309 7.522 248 H SER 34 HN SER 34 -8.139 6.082 9.584 249 HA SER 34 HA SER 34 -9.790 8.367 10.416 250 HB2 SER 34 HB2 SER 34 -11.415 6.976 9.196 251 HB3 SER 34 HB1 SER 34 -10.961 5.580 10.167 252 HG SER 34 HG SER 34 -11.745 7.954 11.439 253 H ARG 35 HN ARG 35 -10.339 5.238 11.815 254 HA ARG 35 HA ARG 35 -8.333 5.779 13.969 255 HB2 ARG 35 HB2 ARG 35 -10.229 4.775 15.514 256 HB3 ARG 35 HB1 ARG 35 -10.241 6.490 15.114 257 HG2 ARG 35 HG2 ARG 35 -11.827 6.000 13.245 258 HG3 ARG 35 HG1 ARG 35 -11.859 4.315 13.758 259 HD2 ARG 35 HD2 ARG 35 -12.545 5.193 16.063 260 HD3 ARG 35 HD1 ARG 35 -12.836 6.738 15.264 261 HE ARG 35 HE ARG 35 -14.238 4.910 13.719 262 HH11 ARG 35 HH11 ARG 35 -16.397 4.377 14.123 263 HH12 ARG 35 HH12 ARG 35 -17.041 4.579 15.718 264 HH21 ARG 35 HH21 ARG 35 -14.072 5.778 17.051 265 HH22 ARG 35 HH22 ARG 35 -15.724 5.372 17.376 266 H ARG 36 HN ARG 36 -10.714 3.354 12.848 267 HA ARG 36 HA ARG 36 -9.380 1.111 13.963 268 HB2 ARG 36 HB2 ARG 36 -10.889 0.897 11.366 269 HB3 ARG 36 HB1 ARG 36 -10.874 -0.207 12.739 270 HG2 ARG 36 HG2 ARG 36 -11.956 1.793 14.040 271 HG3 ARG 36 HG1 ARG 36 -12.297 2.435 12.446 272 HD2 ARG 36 HD2 ARG 36 -14.110 1.090 12.259 273 HD3 ARG 36 HD1 ARG 36 -13.124 -0.344 12.476 274 HE ARG 36 HE ARG 36 -14.987 0.669 14.350 275 HH11 ARG 36 HH11 ARG 36 -14.924 0.212 16.542 276 HH12 ARG 36 HH12 ARG 36 -13.444 -0.327 17.263 277 HH21 ARG 36 HH21 ARG 36 -11.648 -0.217 14.310 278 HH22 ARG 36 HH22 ARG 36 -11.595 -0.569 16.002 279 H SER 37 HN SER 37 -9.446 2.065 10.550 280 HA SER 37 HA SER 37 -7.527 0.397 9.485 281 HB2 SER 37 HB2 SER 37 -8.411 1.819 7.881 282 HB3 SER 37 HB1 SER 37 -8.270 3.239 8.913 283 HG SER 37 HG SER 37 -5.959 1.885 8.060 284 H ARG 38 HN ARG 38 -6.600 3.700 10.576 285 HA ARG 38 HA ARG 38 -3.814 3.113 10.625 286 HB2 ARG 38 HB2 ARG 38 -3.595 5.121 12.043 287 HB3 ARG 38 HB1 ARG 38 -4.685 5.423 10.691 288 HG2 ARG 38 HG2 ARG 38 -6.615 4.896 12.198 289 HG3 ARG 38 HG1 ARG 38 -5.485 4.782 13.542 290 HD2 ARG 38 HD2 ARG 38 -6.108 7.205 11.851 291 HD3 ARG 38 HD1 ARG 38 -6.383 7.019 13.578 292 HE ARG 38 HE ARG 38 -3.980 7.960 12.314 293 HH11 ARG 38 HH11 ARG 38 -1.979 7.942 13.320 294 HH12 ARG 38 HH12 ARG 38 -1.752 7.002 14.756 295 HH21 ARG 38 HH21 ARG 38 -5.007 5.837 14.840 296 HH22 ARG 38 HH22 ARG 38 -3.457 5.807 15.607 297 H GLY 39 HN GLY 39 -6.336 2.089 12.661 298 HA2 GLY 39 HA2 GLY 39 -4.658 1.682 15.038 299 HA3 GLY 39 HA1 GLY 39 -6.326 1.138 14.836 300 H ILE 40 HN ILE 40 -5.845 -0.179 12.282 301 HA ILE 40 HA ILE 40 -4.476 -2.612 13.309 302 HB ILE 40 HB ILE 40 -6.953 -2.397 12.376 303 HG12 ILE 40 HG12 ILE 40 -6.536 -4.543 13.093 304 HG13 ILE 40 HG11 ILE 40 -6.629 -4.855 11.377 305 HG21 ILE 40 HG21 ILE 40 -5.430 -2.995 9.831 306 HG22 ILE 40 HG22 ILE 40 -6.280 -1.493 10.194 307 HG23 ILE 40 HG23 ILE 40 -7.178 -2.996 10.037 308 HD11 ILE 40 HD11 ILE 40 -4.024 -4.487 11.424 309 HD12 ILE 40 HD12 ILE 40 -4.689 -6.006 11.976 310 HD13 ILE 40 HD13 ILE 40 -4.186 -4.803 13.148 311 H VAL 41 HN VAL 41 -4.700 -0.739 10.231 312 HA VAL 41 HA VAL 41 -2.527 -2.155 9.002 313 HB VAL 41 HB VAL 41 -3.294 0.676 8.279 314 HG11 VAL 41 HG11 VAL 41 -1.412 -0.313 7.067 315 HG12 VAL 41 HG12 VAL 41 -2.805 -0.193 5.992 316 HG13 VAL 41 HG13 VAL 41 -2.370 -1.748 6.700 317 HG21 VAL 41 HG21 VAL 41 -5.430 -0.313 8.409 318 HG22 VAL 41 HG22 VAL 41 -4.840 -1.886 7.876 319 HG23 VAL 41 HG23 VAL 41 -4.981 -0.560 6.725 320 H GLU 42 HN GLU 42 -2.482 1.279 10.082 321 HA GLU 42 HA GLU 42 0.312 1.562 9.828 322 HB2 GLU 42 HB2 GLU 42 -1.570 2.976 11.725 323 HB3 GLU 42 HB1 GLU 42 0.085 3.481 11.403 324 HG2 GLU 42 HG2 GLU 42 -1.955 3.106 9.203 325 HG3 GLU 42 HG1 GLU 42 -1.714 4.650 10.020 326 H GLN 43 HN GLN 43 -1.457 0.895 12.896 327 HA GLN 43 HA GLN 43 0.723 0.696 14.594 328 HB2 GLN 43 HB2 GLN 43 -1.978 0.000 14.709 329 HB3 GLN 43 HB1 GLN 43 -1.173 -1.528 15.030 330 HG2 GLN 43 HG2 GLN 43 -0.490 1.038 16.506 331 HG3 GLN 43 HG1 GLN 43 -1.699 -0.106 17.075 332 HE21 GLN 43 HE21 GLN 43 1.525 -0.706 15.569 333 HE22 GLN 43 HE22 GLN 43 2.110 -1.640 16.857 334 H CYS 44 HN CYS 44 -0.454 -1.918 12.439 335 HA CYS 44 HA CYS 44 1.805 -3.629 13.197 336 HB2 CYS 44 HB2 CYS 44 -0.465 -3.920 11.201 337 HB3 CYS 44 HB1 CYS 44 0.765 -5.147 11.458 338 H CYS 45 HN CYS 45 0.723 -2.092 10.158 339 HA CYS 45 HA CYS 45 3.079 -2.714 8.661 340 HB2 CYS 45 HB2 CYS 45 0.953 -1.982 7.625 341 HB3 CYS 45 HB1 CYS 45 1.165 -0.386 8.338 342 H ARG 46 HN ARG 46 2.228 0.207 10.529 343 HA ARG 46 HA ARG 46 4.716 1.526 9.896 344 HB2 ARG 46 HB2 ARG 46 2.496 2.578 10.724 345 HB3 ARG 46 HB1 ARG 46 3.017 2.100 12.335 346 HG2 ARG 46 HG2 ARG 46 5.148 3.524 10.852 347 HG3 ARG 46 HG1 ARG 46 3.696 4.495 11.048 348 HD2 ARG 46 HD2 ARG 46 3.742 3.992 13.499 349 HD3 ARG 46 HD1 ARG 46 5.271 3.145 13.260 350 HE ARG 46 HE ARG 46 5.727 5.639 12.152 351 HH11 ARG 46 HH11 ARG 46 6.534 7.378 13.352 352 HH12 ARG 46 HH12 ARG 46 6.286 7.420 15.065 353 HH21 ARG 46 HH21 ARG 46 4.548 4.421 15.154 354 HH22 ARG 46 HH22 ARG 46 5.161 5.747 16.085 355 H SER 47 HN SER 47 3.609 -0.545 12.569 356 HA SER 47 HA SER 47 6.466 -0.785 13.440 357 HB2 SER 47 HB2 SER 47 4.093 -0.317 15.269 358 HB3 SER 47 HB1 SER 47 5.720 -0.721 15.810 359 HG SER 47 HG SER 47 6.237 1.217 14.346 360 H ILE 48 HN ILE 48 6.944 -2.811 14.476 361 HA ILE 48 HA ILE 48 5.413 -5.039 13.456 362 HB ILE 48 HB ILE 48 7.425 -5.176 15.716 363 HG12 ILE 48 HG12 ILE 48 7.992 -5.072 12.734 364 HG13 ILE 48 HG11 ILE 48 8.356 -3.781 13.879 365 HG21 ILE 48 HG21 ILE 48 6.109 -7.219 15.006 366 HG22 ILE 48 HG22 ILE 48 7.858 -7.386 14.859 367 HG23 ILE 48 HG23 ILE 48 6.878 -7.081 13.426 368 HD11 ILE 48 HD11 ILE 48 10.369 -5.100 13.511 369 HD12 ILE 48 HD12 ILE 48 9.504 -6.584 13.906 370 HD13 ILE 48 HD13 ILE 48 9.793 -5.376 15.155 371 H CYS 49 HN CYS 49 3.309 -5.076 14.268 372 HA CYS 49 HA CYS 49 2.814 -4.696 17.139 373 HB2 CYS 49 HB2 CYS 49 0.461 -5.022 16.556 374 HB3 CYS 49 HB1 CYS 49 1.198 -3.897 15.422 375 H SER 50 HN SER 50 2.082 -6.347 18.559 376 HA SER 50 HA SER 50 3.159 -8.994 17.967 377 HB2 SER 50 HB2 SER 50 1.468 -8.222 20.350 378 HB3 SER 50 HB1 SER 50 2.654 -9.520 20.239 379 HG SER 50 HG SER 50 3.522 -6.941 19.657 380 H LEU 51 HN LEU 51 1.827 -10.978 18.255 381 HA LEU 51 HA LEU 51 -0.413 -11.049 16.522 382 HB2 LEU 51 HB2 LEU 51 0.077 -12.981 18.801 383 HB3 LEU 51 HB1 LEU 51 -0.750 -13.305 17.279 384 HG LEU 51 HG LEU 51 2.184 -12.596 17.570 385 HD11 LEU 51 HD11 LEU 51 1.432 -14.897 18.349 386 HD12 LEU 51 HD12 LEU 51 2.632 -14.893 17.056 387 HD13 LEU 51 HD13 LEU 51 0.937 -15.206 16.684 388 HD21 LEU 51 HD21 LEU 51 2.117 -13.399 15.101 389 HD22 LEU 51 HD22 LEU 51 1.514 -11.783 15.451 390 HD23 LEU 51 HD23 LEU 51 0.380 -13.111 15.199 391 H TYR 52 HN TYR 52 -0.217 -10.522 20.007 392 HA TYR 52 HA TYR 52 -2.870 -10.930 20.778 393 HB2 TYR 52 HB2 TYR 52 -0.761 -9.988 22.095 394 HB3 TYR 52 HB1 TYR 52 -1.480 -8.428 21.724 395 HD1 TYR 52 HD1 TYR 52 -3.859 -7.979 22.423 396 HD2 TYR 52 HD2 TYR 52 -1.670 -11.405 23.786 397 HE1 TYR 52 HE1 TYR 52 -5.486 -8.277 24.275 398 HE2 TYR 52 HE2 TYR 52 -3.292 -11.709 25.638 399 HH TYR 52 HH TYR 52 -5.416 -11.113 26.336 400 H GLN 53 HN GLN 53 -1.487 -8.030 19.231 401 HA GLN 53 HA GLN 53 -3.996 -6.599 19.137 402 HB2 GLN 53 HB2 GLN 53 -1.560 -6.274 17.356 403 HB3 GLN 53 HB1 GLN 53 -2.846 -5.090 17.597 404 HG2 GLN 53 HG2 GLN 53 -2.271 -4.961 19.999 405 HG3 GLN 53 HG1 GLN 53 -0.968 -6.123 19.743 406 HE21 GLN 53 HE21 GLN 53 -1.742 -3.685 17.303 407 HE22 GLN 53 HE22 GLN 53 -0.331 -2.769 17.517 408 H LEU 54 HN LEU 54 -2.164 -8.381 16.605 409 HA LEU 54 HA LEU 54 -4.113 -8.147 14.585 410 HB2 LEU 54 HB2 LEU 54 -2.265 -10.454 15.118 411 HB3 LEU 54 HB1 LEU 54 -3.137 -10.187 13.612 412 HG LEU 54 HG LEU 54 -1.154 -8.265 14.841 413 HD11 LEU 54 HD11 LEU 54 0.420 -9.009 13.220 414 HD12 LEU 54 HD12 LEU 54 -0.817 -9.851 12.287 415 HD13 LEU 54 HD13 LEU 54 -0.293 -10.497 13.843 416 HD21 LEU 54 HD21 LEU 54 -1.377 -7.385 12.341 417 HD22 LEU 54 HD22 LEU 54 -2.526 -6.877 13.570 418 HD23 LEU 54 HD23 LEU 54 -2.958 -8.159 12.437 419 H GLU 55 HN GLU 55 -3.887 -10.249 17.321 420 HA GLU 55 HA GLU 55 -6.093 -11.966 16.550 421 HB2 GLU 55 HB2 GLU 55 -4.158 -12.477 18.204 422 HB3 GLU 55 HB1 GLU 55 -5.136 -11.592 19.370 423 HG2 GLU 55 HG2 GLU 55 -7.066 -13.128 18.742 424 HG3 GLU 55 HG1 GLU 55 -5.887 -14.107 17.870 425 H ASN 56 HN ASN 56 -5.879 -8.817 17.664 426 HA ASN 56 HA ASN 56 -8.268 -8.814 19.345 427 HB2 ASN 56 HB2 ASN 56 -6.251 -7.204 19.433 428 HB3 ASN 56 HB1 ASN 56 -7.005 -6.391 18.063 429 HD21 ASN 56 HD21 ASN 56 -6.683 -5.167 20.672 430 HD22 ASN 56 HD22 ASN 56 -8.232 -4.892 21.304 431 H TYR 57 HN TYR 57 -7.640 -8.484 15.943 432 HA TYR 57 HA TYR 57 -10.320 -7.288 15.456 433 HB2 TYR 57 HB2 TYR 57 -8.256 -7.966 13.367 434 HB3 TYR 57 HB1 TYR 57 -9.496 -6.722 13.316 435 HD1 TYR 57 HD1 TYR 57 -9.288 -4.692 14.874 436 HD2 TYR 57 HD2 TYR 57 -6.169 -7.560 14.345 437 HE1 TYR 57 HE1 TYR 57 -7.674 -3.095 15.836 438 HE2 TYR 57 HE2 TYR 57 -4.529 -5.969 15.321 439 HH TYR 57 HH TYR 57 -4.821 -3.875 17.045 440 H CYS 58 HN CYS 58 -8.934 -10.350 15.676 441 HA CYS 58 HA CYS 58 -10.148 -11.730 13.513 442 HB2 CYS 58 HB2 CYS 58 -9.505 -12.709 16.303 443 HB3 CYS 58 HB1 CYS 58 -9.898 -13.742 14.936 444 H GLY 59 HN GLY 59 -12.263 -11.270 13.112 445 HA2 GLY 59 HA2 GLY 59 -14.361 -12.576 14.342 446 HA3 GLY 59 HA1 GLY 59 -14.235 -11.074 15.258 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 3.095 -16.572 12.458 2 H2 PHE 1 HT2 PHE 1 3.876 -15.331 13.317 3 H3 PHE 1 HT3 PHE 1 4.394 -16.940 13.484 4 HA PHE 1 HA PHE 1 5.263 -17.017 11.318 5 HB2 PHE 1 HB2 PHE 1 4.971 -14.563 10.100 6 HB3 PHE 1 HB1 PHE 1 3.926 -15.946 9.789 7 HD1 PHE 1 HD1 PHE 1 1.809 -16.223 11.159 8 HD2 PHE 1 HD2 PHE 1 4.117 -12.604 11.138 9 HE1 PHE 1 HE1 PHE 1 -0.142 -14.979 12.045 10 HE2 PHE 1 HE2 PHE 1 2.165 -11.347 12.023 11 HZ PHE 1 HZ PHE 1 0.029 -12.548 12.479 12 H VAL 2 HN VAL 2 7.058 -15.382 10.401 13 HA VAL 2 HA VAL 2 8.923 -14.955 12.470 14 HB VAL 2 HB VAL 2 9.993 -13.327 10.735 15 HG11 VAL 2 HG11 VAL 2 10.820 -15.562 10.926 16 HG12 VAL 2 HG12 VAL 2 10.507 -15.298 9.211 17 HG13 VAL 2 HG13 VAL 2 9.370 -16.234 10.181 18 HG21 VAL 2 HG21 VAL 2 9.051 -13.376 8.524 19 HG22 VAL 2 HG22 VAL 2 7.746 -12.926 9.622 20 HG23 VAL 2 HG23 VAL 2 7.846 -14.572 8.998 21 H ASN 3 HN ASN 3 9.915 -12.421 12.345 22 HA ASN 3 HA ASN 3 7.699 -10.725 13.468 23 HB2 ASN 3 HB2 ASN 3 9.664 -9.647 14.756 24 HB3 ASN 3 HB1 ASN 3 9.134 -11.245 15.281 25 HD21 ASN 3 HD21 ASN 3 10.895 -12.576 15.687 26 HD22 ASN 3 HD22 ASN 3 12.348 -12.574 14.809 27 H GLN 4 HN GLN 4 7.259 -9.543 11.571 28 HA GLN 4 HA GLN 4 9.340 -7.564 10.839 29 HB2 GLN 4 HB2 GLN 4 8.886 -7.964 8.392 30 HB3 GLN 4 HB1 GLN 4 9.746 -9.281 9.187 31 HG2 GLN 4 HG2 GLN 4 7.561 -10.456 9.503 32 HG3 GLN 4 HG1 GLN 4 6.780 -9.177 8.571 33 HE21 GLN 4 HE21 GLN 4 9.613 -11.400 8.249 34 HE22 GLN 4 HE22 GLN 4 9.374 -11.695 6.594 35 H HIS 5 HN HIS 5 8.241 -6.007 9.112 36 HA HIS 5 HA HIS 5 5.802 -5.051 10.393 37 HB2 HIS 5 HB2 HIS 5 7.110 -3.996 7.878 38 HB3 HIS 5 HB1 HIS 5 6.037 -3.134 8.965 39 HD2 HIS 5 HD2 HIS 5 7.322 -3.235 11.798 40 HE1 HIS 5 HE1 HIS 5 11.090 -2.601 10.013 41 HE2 HIS 5 HE2 HIS 5 9.795 -2.539 12.197 42 H LEU 6 HN LEU 6 3.785 -5.572 9.790 43 HA LEU 6 HA LEU 6 3.324 -7.110 7.295 44 HB2 LEU 6 HB2 LEU 6 1.926 -6.658 9.882 45 HB3 LEU 6 HB1 LEU 6 0.878 -6.862 8.492 46 HG LEU 6 HG LEU 6 1.734 -9.044 8.039 47 HD11 LEU 6 HD11 LEU 6 3.597 -9.880 9.759 48 HD12 LEU 6 HD12 LEU 6 3.996 -8.163 9.800 49 HD13 LEU 6 HD13 LEU 6 4.042 -9.046 8.275 50 HD21 LEU 6 HD21 LEU 6 0.154 -8.989 9.895 51 HD22 LEU 6 HD22 LEU 6 1.454 -8.637 11.020 52 HD23 LEU 6 HD23 LEU 6 1.390 -10.194 10.217 53 H CYS 7 HN CYS 7 2.840 -5.926 5.469 54 HA CYS 7 HA CYS 7 1.105 -3.505 5.800 55 HB2 CYS 7 HB2 CYS 7 3.471 -3.808 3.938 56 HB3 CYS 7 HB1 CYS 7 2.396 -2.410 4.019 57 H GLY 8 HN GLY 8 -0.697 -3.632 4.688 58 HA2 GLY 8 HA2 GLY 8 -2.268 -4.233 3.083 59 HA3 GLY 8 HA1 GLY 8 -0.917 -4.457 1.973 60 H SER 9 HN SER 9 -1.392 -6.393 1.040 61 HA SER 9 HA SER 9 -2.777 -8.574 1.982 62 HB2 SER 9 HB2 SER 9 -0.208 -8.761 0.387 63 HB3 SER 9 HB1 SER 9 -1.494 -9.963 0.441 64 HG SER 9 HG SER 9 -2.378 -7.444 -0.155 65 H HIS 10 HN HIS 10 0.531 -7.693 2.881 66 HA HIS 10 HA HIS 10 1.217 -10.167 4.119 67 HB2 HIS 10 HB2 HIS 10 2.637 -7.973 3.638 68 HB3 HIS 10 HB1 HIS 10 2.171 -7.567 5.283 69 HD2 HIS 10 HD2 HIS 10 5.166 -9.039 3.862 70 HE1 HIS 10 HE1 HIS 10 4.445 -11.561 7.164 71 HE2 HIS 10 HE2 HIS 10 6.161 -10.857 5.430 72 H LEU 11 HN LEU 11 -0.645 -7.390 5.233 73 HA LEU 11 HA LEU 11 -0.804 -8.288 7.964 74 HB2 LEU 11 HB2 LEU 11 -1.191 -5.910 7.273 75 HB3 LEU 11 HB1 LEU 11 -2.648 -6.424 6.442 76 HG LEU 11 HG LEU 11 -3.761 -6.910 8.444 77 HD11 LEU 11 HD11 LEU 11 -1.049 -6.886 9.765 78 HD12 LEU 11 HD12 LEU 11 -2.250 -8.177 9.762 79 HD13 LEU 11 HD13 LEU 11 -2.523 -6.716 10.706 80 HD21 LEU 11 HD21 LEU 11 -4.021 -4.809 9.246 81 HD22 LEU 11 HD22 LEU 11 -2.894 -4.372 7.971 82 HD23 LEU 11 HD23 LEU 11 -2.311 -4.605 9.619 83 H VAL 12 HN VAL 12 -3.103 -8.376 5.257 84 HA VAL 12 HA VAL 12 -5.084 -9.931 6.575 85 HB VAL 12 HB VAL 12 -4.271 -9.787 3.655 86 HG11 VAL 12 HG11 VAL 12 -5.867 -11.315 3.077 87 HG12 VAL 12 HG12 VAL 12 -7.068 -10.572 4.123 88 HG13 VAL 12 HG13 VAL 12 -5.963 -11.772 4.771 89 HG21 VAL 12 HG21 VAL 12 -6.063 -8.194 3.455 90 HG22 VAL 12 HG22 VAL 12 -5.071 -7.710 4.830 91 HG23 VAL 12 HG23 VAL 12 -6.612 -8.524 5.098 92 H GLU 13 HN GLU 13 -2.604 -11.026 4.261 93 HA GLU 13 HA GLU 13 -2.895 -13.763 4.482 94 HB2 GLU 13 HB2 GLU 13 -0.318 -12.176 4.339 95 HB3 GLU 13 HB1 GLU 13 -0.415 -13.920 4.083 96 HG2 GLU 13 HG2 GLU 13 -1.742 -13.680 2.138 97 HG3 GLU 13 HG1 GLU 13 -2.151 -12.009 2.524 98 H ALA 14 HN ALA 14 -1.564 -11.586 6.907 99 HA ALA 14 HA ALA 14 -0.591 -13.837 8.553 100 HB1 ALA 14 HB1 ALA 14 0.765 -11.963 8.849 101 HB2 ALA 14 HB2 ALA 14 -0.340 -11.774 10.211 102 HB3 ALA 14 HB3 ALA 14 -0.589 -10.842 8.735 103 H LEU 15 HN LEU 15 -2.957 -11.183 9.134 104 HA LEU 15 HA LEU 15 -4.165 -12.175 11.431 105 HB2 LEU 15 HB2 LEU 15 -5.367 -10.754 9.058 106 HB3 LEU 15 HB1 LEU 15 -6.334 -11.156 10.469 107 HG LEU 15 HG LEU 15 -3.723 -9.721 10.894 108 HD11 LEU 15 HD11 LEU 15 -6.279 -8.201 10.360 109 HD12 LEU 15 HD12 LEU 15 -5.128 -8.529 9.074 110 HD13 LEU 15 HD13 LEU 15 -4.639 -7.581 10.474 111 HD21 LEU 15 HD21 LEU 15 -4.965 -8.799 12.811 112 HD22 LEU 15 HD22 LEU 15 -5.070 -10.556 12.816 113 HD23 LEU 15 HD23 LEU 15 -6.436 -9.593 12.259 114 H TYR 16 HN TYR 16 -4.699 -13.211 8.097 115 HA TYR 16 HA TYR 16 -6.965 -14.825 8.414 116 HB2 TYR 16 HB2 TYR 16 -6.259 -14.681 6.204 117 HB3 TYR 16 HB1 TYR 16 -4.565 -14.844 6.632 118 HD1 TYR 16 HD1 TYR 16 -3.654 -16.730 5.583 119 HD2 TYR 16 HD2 TYR 16 -7.587 -16.980 7.296 120 HE1 TYR 16 HE1 TYR 16 -3.737 -19.140 5.034 121 HE2 TYR 16 HE2 TYR 16 -7.673 -19.395 6.738 122 HH TYR 16 HH TYR 16 -5.066 -20.951 4.901 123 H LEU 17 HN LEU 17 -3.573 -15.575 9.175 124 HA LEU 17 HA LEU 17 -4.193 -18.284 10.071 125 HB2 LEU 17 HB2 LEU 17 -1.745 -16.516 10.371 126 HB3 LEU 17 HB1 LEU 17 -1.839 -18.151 11.015 127 HG LEU 17 HG LEU 17 -2.535 -18.797 8.548 128 HD11 LEU 17 HD11 LEU 17 -1.410 -17.331 6.883 129 HD12 LEU 17 HD12 LEU 17 -1.054 -16.180 8.169 130 HD13 LEU 17 HD13 LEU 17 -2.724 -16.498 7.707 131 HD21 LEU 17 HD21 LEU 17 -0.118 -19.042 7.966 132 HD22 LEU 17 HD22 LEU 17 -0.472 -19.568 9.611 133 HD23 LEU 17 HD23 LEU 17 0.287 -18.001 9.331 134 H VAL 18 HN VAL 18 -3.253 -15.252 11.669 135 HA VAL 18 HA VAL 18 -3.397 -16.052 14.348 136 HB VAL 18 HB VAL 18 -4.484 -13.432 13.297 137 HG11 VAL 18 HG11 VAL 18 -2.969 -14.031 15.832 138 HG12 VAL 18 HG12 VAL 18 -4.729 -13.997 15.734 139 HG13 VAL 18 HG13 VAL 18 -3.799 -12.536 15.403 140 HG21 VAL 18 HG21 VAL 18 -2.119 -12.615 13.522 141 HG22 VAL 18 HG22 VAL 18 -2.321 -13.802 12.235 142 HG23 VAL 18 HG23 VAL 18 -1.611 -14.285 13.775 143 H CYS 19 HN CYS 19 -6.063 -14.664 12.421 144 HA CYS 19 HA CYS 19 -8.066 -15.304 14.430 145 HB2 CYS 19 HB2 CYS 19 -8.569 -14.602 11.532 146 HB3 CYS 19 HB1 CYS 19 -9.591 -14.263 12.933 147 H GLY 20 HN GLY 20 -6.701 -16.967 11.689 148 HA2 GLY 20 HA2 GLY 20 -7.236 -19.048 10.735 149 HA3 GLY 20 HA1 GLY 20 -7.894 -19.452 12.324 150 H GLU 21 HN GLU 21 -10.048 -19.887 12.338 151 HA GLU 21 HA GLU 21 -11.675 -19.189 9.987 152 HB2 GLU 21 HB2 GLU 21 -12.226 -20.779 12.501 153 HB3 GLU 21 HB1 GLU 21 -13.468 -20.446 11.294 154 HG2 GLU 21 HG2 GLU 21 -12.250 -21.617 9.589 155 HG3 GLU 21 HG1 GLU 21 -10.817 -21.736 10.611 156 H ARG 22 HN ARG 22 -11.185 -18.012 13.231 157 HA ARG 22 HA ARG 22 -13.643 -16.715 13.712 158 HB2 ARG 22 HB2 ARG 22 -10.820 -15.833 14.382 159 HB3 ARG 22 HB1 ARG 22 -12.268 -15.047 15.013 160 HG2 ARG 22 HG2 ARG 22 -12.999 -17.306 15.885 161 HG3 ARG 22 HG1 ARG 22 -11.405 -17.916 15.447 162 HD2 ARG 22 HD2 ARG 22 -10.783 -15.622 16.892 163 HD3 ARG 22 HD1 ARG 22 -12.194 -16.234 17.749 164 HE ARG 22 HE ARG 22 -9.604 -17.269 18.026 165 HH11 ARG 22 HH11 ARG 22 -9.132 -19.388 18.600 166 HH12 ARG 22 HH12 ARG 22 -10.332 -20.620 18.390 167 HH21 ARG 22 HH21 ARG 22 -12.717 -18.462 17.118 168 HH22 ARG 22 HH22 ARG 22 -12.353 -20.095 17.548 169 H GLY 23 HN GLY 23 -10.905 -15.711 11.698 170 HA2 GLY 23 HA2 GLY 23 -10.900 -14.177 9.906 171 HA3 GLY 23 HA1 GLY 23 -12.643 -14.009 10.110 172 H PHE 24 HN PHE 24 -11.050 -11.787 9.599 173 HA PHE 24 HA PHE 24 -11.394 -10.217 12.121 174 HB2 PHE 24 HB2 PHE 24 -9.295 -8.970 11.565 175 HB3 PHE 24 HB1 PHE 24 -9.007 -10.655 11.965 176 HD1 PHE 24 HD1 PHE 24 -8.961 -12.364 9.998 177 HD2 PHE 24 HD2 PHE 24 -8.518 -8.113 9.528 178 HE1 PHE 24 HE1 PHE 24 -7.930 -12.725 7.771 179 HE2 PHE 24 HE2 PHE 24 -7.481 -8.480 7.292 180 HZ PHE 24 HZ PHE 24 -7.207 -10.781 6.428 181 H PHE 25 HN PHE 25 -11.288 -7.757 11.440 182 HA PHE 25 HA PHE 25 -12.786 -7.474 8.862 183 HB2 PHE 25 HB2 PHE 25 -13.953 -5.682 9.857 184 HB3 PHE 25 HB1 PHE 25 -13.831 -6.882 11.146 185 HD1 PHE 25 HD1 PHE 25 -12.995 -3.554 10.105 186 HD2 PHE 25 HD2 PHE 25 -11.944 -6.660 12.853 187 HE1 PHE 25 HE1 PHE 25 -11.790 -1.892 11.502 188 HE2 PHE 25 HE2 PHE 25 -10.735 -5.012 14.251 189 HZ PHE 25 HZ PHE 25 -10.658 -2.627 13.583 190 H TYR 26 HN TYR 26 -11.659 -6.507 7.248 191 HA TYR 26 HA TYR 26 -9.262 -4.861 7.945 192 HB2 TYR 26 HB2 TYR 26 -9.282 -6.875 6.235 193 HB3 TYR 26 HB1 TYR 26 -9.967 -5.688 5.128 194 HD1 TYR 26 HD1 TYR 26 -7.123 -6.230 7.485 195 HD2 TYR 26 HD2 TYR 26 -8.542 -4.146 4.011 196 HE1 TYR 26 HE1 TYR 26 -4.851 -5.334 7.100 197 HE2 TYR 26 HE2 TYR 26 -6.260 -3.231 3.637 198 HH TYR 26 HH TYR 26 -4.141 -2.799 5.407 199 H THR 27 HN THR 27 -8.947 -2.927 6.392 200 HA THR 27 HA THR 27 -11.322 -1.284 6.549 201 HB THR 27 HB THR 27 -9.246 -0.157 6.873 202 HG1 THR 27 HG1 THR 27 -9.448 1.425 5.402 203 HG21 THR 27 HG21 THR 27 -8.433 -1.501 4.289 204 HG22 THR 27 HG22 THR 27 -7.715 -1.710 5.886 205 HG23 THR 27 HG23 THR 27 -7.508 -0.189 5.019 206 HA PRO 28 HA PRO 28 -12.877 -2.314 2.494 207 HB2 PRO 28 HB2 PRO 28 -14.175 0.089 1.883 208 HB3 PRO 28 HB1 PRO 28 -14.870 -1.225 2.825 209 HG2 PRO 28 HG2 PRO 28 -13.821 1.388 3.778 210 HG3 PRO 28 HG1 PRO 28 -14.986 0.300 4.551 211 HD2 PRO 28 HD2 PRO 28 -12.282 0.602 5.309 212 HD3 PRO 28 HD1 PRO 28 -13.350 -0.740 5.777 213 H ARG 29 HN ARG 29 -11.877 1.150 2.492 214 HA ARG 29 HA ARG 29 -9.681 0.542 0.652 215 HB2 ARG 29 HB2 ARG 29 -10.435 1.684 -1.255 216 HB3 ARG 29 HB1 ARG 29 -11.862 0.796 -0.740 217 HG2 ARG 29 HG2 ARG 29 -11.278 3.740 -0.271 218 HG3 ARG 29 HG1 ARG 29 -12.539 3.049 -1.279 219 HD2 ARG 29 HD2 ARG 29 -13.309 1.881 0.934 220 HD3 ARG 29 HD1 ARG 29 -12.390 3.167 1.714 221 HE ARG 29 HE ARG 29 -13.950 4.534 -0.094 222 HH11 ARG 29 HH11 ARG 29 -16.010 5.309 0.411 223 HH12 ARG 29 HH12 ARG 29 -16.943 4.517 1.636 224 HH21 ARG 29 HH21 ARG 29 -14.518 2.134 2.311 225 HH22 ARG 29 HH22 ARG 29 -16.098 2.718 2.712 226 H THR 30 HN THR 30 -10.627 1.979 3.263 227 HA THR 30 HA THR 30 -9.909 3.808 4.528 228 HB THR 30 HB THR 30 -7.680 4.522 4.225 229 HG1 THR 30 HG1 THR 30 -6.850 3.752 1.938 230 HG21 THR 30 HG21 THR 30 -6.446 2.462 3.763 231 HG22 THR 30 HG22 THR 30 -7.857 1.778 2.957 232 HG23 THR 30 HG23 THR 30 -7.901 2.101 4.690 233 H GLU 31 HN GLU 31 -8.494 6.151 3.380 234 HA GLU 31 HA GLU 31 -9.158 8.263 2.596 235 HB2 GLU 31 HB2 GLU 31 -10.596 6.570 0.526 236 HB3 GLU 31 HB1 GLU 31 -10.188 8.279 0.368 237 HG2 GLU 31 HG2 GLU 31 -7.762 7.628 0.698 238 HG3 GLU 31 HG1 GLU 31 -8.270 5.945 0.555 239 H GLU 32 HN GLU 32 -11.080 6.320 4.215 240 HA GLU 32 HA GLU 32 -13.748 7.216 3.662 241 HB2 GLU 32 HB2 GLU 32 -12.585 6.311 6.311 242 HB3 GLU 32 HB1 GLU 32 -14.293 6.322 5.869 243 HG2 GLU 32 HG2 GLU 32 -13.895 4.674 4.116 244 HG3 GLU 32 HG1 GLU 32 -12.159 4.721 4.426 245 H GLY 33 HN GLY 33 -11.073 8.646 5.335 246 HA2 GLY 33 HA2 GLY 33 -10.941 11.008 5.806 247 HA3 GLY 33 HA1 GLY 33 -12.701 11.091 5.821 248 H SER 34 HN SER 34 -13.084 8.813 7.537 249 HA SER 34 HA SER 34 -12.902 10.084 10.098 250 HB2 SER 34 HB2 SER 34 -14.553 8.287 9.471 251 HB3 SER 34 HB1 SER 34 -13.234 7.121 9.542 252 HG SER 34 HG SER 34 -13.843 7.049 11.572 253 H ARG 35 HN ARG 35 -11.961 7.389 11.315 254 HA ARG 35 HA ARG 35 -9.008 7.822 10.969 255 HB2 ARG 35 HB2 ARG 35 -8.910 7.086 13.450 256 HB3 ARG 35 HB1 ARG 35 -9.443 8.730 13.109 257 HG2 ARG 35 HG2 ARG 35 -11.799 7.982 13.269 258 HG3 ARG 35 HG1 ARG 35 -11.265 6.362 13.664 259 HD2 ARG 35 HD2 ARG 35 -10.219 7.117 15.698 260 HD3 ARG 35 HD1 ARG 35 -10.484 8.807 15.265 261 HE ARG 35 HE ARG 35 -13.036 7.750 15.302 262 HH11 ARG 35 HH11 ARG 35 -14.315 7.715 17.168 263 HH12 ARG 35 HH12 ARG 35 -13.553 7.725 18.723 264 HH21 ARG 35 HH21 ARG 35 -10.332 7.795 17.441 265 HH22 ARG 35 HH22 ARG 35 -11.299 7.767 18.878 266 H ARG 36 HN ARG 36 -9.802 5.504 13.268 267 HA ARG 36 HA ARG 36 -9.404 3.183 13.250 268 HB2 ARG 36 HB2 ARG 36 -11.313 3.689 10.969 269 HB3 ARG 36 HB1 ARG 36 -10.789 2.053 11.359 270 HG2 ARG 36 HG2 ARG 36 -11.789 3.793 13.594 271 HG3 ARG 36 HG1 ARG 36 -12.970 3.098 12.490 272 HD2 ARG 36 HD2 ARG 36 -12.149 0.848 12.964 273 HD3 ARG 36 HD1 ARG 36 -10.867 1.503 13.985 274 HE ARG 36 HE ARG 36 -13.176 2.501 15.130 275 HH11 ARG 36 HH11 ARG 36 -14.306 1.402 16.750 276 HH12 ARG 36 HH12 ARG 36 -14.176 -0.322 16.861 277 HH21 ARG 36 HH21 ARG 36 -12.022 -0.598 14.157 278 HH22 ARG 36 HH22 ARG 36 -12.883 -1.455 15.393 279 H SER 37 HN SER 37 -9.036 1.335 11.329 280 HA SER 37 HA SER 37 -7.439 0.431 9.903 281 HB2 SER 37 HB2 SER 37 -8.309 1.671 8.124 282 HB3 SER 37 HB1 SER 37 -7.761 3.206 8.780 283 HG SER 37 HG SER 37 -6.317 2.698 7.214 284 H ARG 38 HN ARG 38 -6.199 3.760 10.616 285 HA ARG 38 HA ARG 38 -3.476 2.964 10.614 286 HB2 ARG 38 HB2 ARG 38 -3.081 5.007 12.018 287 HB3 ARG 38 HB1 ARG 38 -4.044 5.325 10.576 288 HG2 ARG 38 HG2 ARG 38 -6.075 5.400 11.840 289 HG3 ARG 38 HG1 ARG 38 -5.289 4.753 13.278 290 HD2 ARG 38 HD2 ARG 38 -3.834 6.801 13.320 291 HD3 ARG 38 HD1 ARG 38 -4.798 7.455 11.997 292 HE ARG 38 HE ARG 38 -6.676 6.802 13.928 293 HH11 ARG 38 HH11 ARG 38 -7.338 8.259 15.523 294 HH12 ARG 38 HH12 ARG 38 -6.282 9.551 15.988 295 HH21 ARG 38 HH21 ARG 38 -3.766 8.643 13.780 296 HH22 ARG 38 HH22 ARG 38 -4.259 9.768 15.001 297 H GLY 39 HN GLY 39 -5.940 2.083 12.729 298 HA2 GLY 39 HA2 GLY 39 -4.237 1.772 15.106 299 HA3 GLY 39 HA1 GLY 39 -5.906 1.218 14.944 300 H ILE 40 HN ILE 40 -5.535 -0.211 12.485 301 HA ILE 40 HA ILE 40 -4.101 -2.594 13.536 302 HB ILE 40 HB ILE 40 -6.609 -2.437 12.723 303 HG12 ILE 40 HG12 ILE 40 -6.083 -4.564 13.438 304 HG13 ILE 40 HG11 ILE 40 -6.337 -4.890 11.742 305 HG21 ILE 40 HG21 ILE 40 -5.233 -3.041 10.099 306 HG22 ILE 40 HG22 ILE 40 -6.042 -1.529 10.500 307 HG23 ILE 40 HG23 ILE 40 -6.966 -3.023 10.405 308 HD11 ILE 40 HD11 ILE 40 -3.757 -4.533 11.518 309 HD12 ILE 40 HD12 ILE 40 -4.343 -6.032 12.207 310 HD13 ILE 40 HD13 ILE 40 -3.727 -4.772 13.262 311 H VAL 41 HN VAL 41 -4.439 -0.771 10.440 312 HA VAL 41 HA VAL 41 -2.347 -2.243 9.136 313 HB VAL 41 HB VAL 41 -3.041 0.602 8.401 314 HG11 VAL 41 HG11 VAL 41 -2.415 -1.904 6.802 315 HG12 VAL 41 HG12 VAL 41 -1.301 -0.571 7.107 316 HG13 VAL 41 HG13 VAL 41 -2.739 -0.311 6.118 317 HG21 VAL 41 HG21 VAL 41 -4.749 -1.878 8.140 318 HG22 VAL 41 HG22 VAL 41 -4.912 -0.529 7.018 319 HG23 VAL 41 HG23 VAL 41 -5.211 -0.284 8.736 320 H GLU 42 HN GLU 42 -2.185 1.207 10.162 321 HA GLU 42 HA GLU 42 0.620 1.395 9.856 322 HB2 GLU 42 HB2 GLU 42 -1.303 2.915 11.615 323 HB3 GLU 42 HB1 GLU 42 0.412 3.308 11.551 324 HG2 GLU 42 HG2 GLU 42 -1.333 3.131 9.084 325 HG3 GLU 42 HG1 GLU 42 -1.061 4.636 9.962 326 H GLN 43 HN GLN 43 -1.220 0.669 12.849 327 HA GLN 43 HA GLN 43 0.886 0.468 14.654 328 HB2 GLN 43 HB2 GLN 43 -1.501 0.081 15.227 329 HB3 GLN 43 HB1 GLN 43 -1.417 -1.491 14.433 330 HG2 GLN 43 HG2 GLN 43 0.228 -2.281 16.007 331 HG3 GLN 43 HG1 GLN 43 0.409 -0.673 16.706 332 HE21 GLN 43 HE21 GLN 43 -2.202 -3.099 16.106 333 HE22 GLN 43 HE22 GLN 43 -3.019 -2.791 17.561 334 H CYS 44 HN CYS 44 -0.224 -2.134 12.456 335 HA CYS 44 HA CYS 44 2.072 -3.807 13.173 336 HB2 CYS 44 HB2 CYS 44 -0.182 -4.132 11.170 337 HB3 CYS 44 HB1 CYS 44 1.047 -5.350 11.482 338 H CYS 45 HN CYS 45 0.905 -2.297 10.154 339 HA CYS 45 HA CYS 45 3.214 -2.885 8.591 340 HB2 CYS 45 HB2 CYS 45 1.062 -2.112 7.630 341 HB3 CYS 45 HB1 CYS 45 1.320 -0.530 8.360 342 H ARG 46 HN ARG 46 2.417 0.038 10.492 343 HA ARG 46 HA ARG 46 4.902 1.334 9.830 344 HB2 ARG 46 HB2 ARG 46 2.649 2.298 10.834 345 HB3 ARG 46 HB1 ARG 46 3.417 1.949 12.379 346 HG2 ARG 46 HG2 ARG 46 4.691 3.602 10.175 347 HG3 ARG 46 HG1 ARG 46 3.820 4.282 11.540 348 HD2 ARG 46 HD2 ARG 46 5.573 2.646 12.858 349 HD3 ARG 46 HD1 ARG 46 6.543 3.088 11.456 350 HE ARG 46 HE ARG 46 6.098 4.740 13.694 351 HH11 ARG 46 HH11 ARG 46 6.117 6.983 13.649 352 HH12 ARG 46 HH12 ARG 46 5.966 7.811 12.136 353 HH21 ARG 46 HH21 ARG 46 5.751 4.913 10.261 354 HH22 ARG 46 HH22 ARG 46 5.751 6.641 10.225 355 H SER 47 HN SER 47 3.860 -0.746 12.531 356 HA SER 47 HA SER 47 6.751 -1.083 13.246 357 HB2 SER 47 HB2 SER 47 4.563 -0.736 15.313 358 HB3 SER 47 HB1 SER 47 6.297 -0.854 15.600 359 HG SER 47 HG SER 47 5.118 1.328 15.444 360 H ILE 48 HN ILE 48 7.211 -3.128 14.251 361 HA ILE 48 HA ILE 48 5.573 -5.288 13.274 362 HB ILE 48 HB ILE 48 7.681 -5.485 15.435 363 HG12 ILE 48 HG12 ILE 48 8.039 -5.397 12.421 364 HG13 ILE 48 HG11 ILE 48 8.571 -4.156 13.557 365 HG21 ILE 48 HG21 ILE 48 6.190 -7.467 14.764 366 HG22 ILE 48 HG22 ILE 48 7.932 -7.729 14.686 367 HG23 ILE 48 HG23 ILE 48 7.020 -7.421 13.209 368 HD11 ILE 48 HD11 ILE 48 9.592 -6.987 13.283 369 HD12 ILE 48 HD12 ILE 48 9.914 -6.007 14.713 370 HD13 ILE 48 HD13 ILE 48 10.502 -5.483 13.136 371 H CYS 49 HN CYS 49 3.508 -5.314 14.154 372 HA CYS 49 HA CYS 49 3.113 -5.014 17.052 373 HB2 CYS 49 HB2 CYS 49 0.741 -5.282 16.544 374 HB3 CYS 49 HB1 CYS 49 1.452 -4.160 15.390 375 H SER 50 HN SER 50 2.691 -6.710 18.476 376 HA SER 50 HA SER 50 3.636 -9.329 17.717 377 HB2 SER 50 HB2 SER 50 2.002 -8.744 20.185 378 HB3 SER 50 HB1 SER 50 3.269 -9.948 19.972 379 HG SER 50 HG SER 50 4.749 -8.213 19.746 380 H LEU 51 HN LEU 51 2.365 -11.315 17.785 381 HA LEU 51 HA LEU 51 0.045 -11.287 16.190 382 HB2 LEU 51 HB2 LEU 51 0.668 -13.368 18.302 383 HB3 LEU 51 HB1 LEU 51 -0.257 -13.598 16.818 384 HG LEU 51 HG LEU 51 2.684 -12.865 16.952 385 HD11 LEU 51 HD11 LEU 51 2.954 -15.177 15.983 386 HD12 LEU 51 HD12 LEU 51 1.247 -15.457 16.328 387 HD13 LEU 51 HD13 LEU 51 2.376 -15.156 17.649 388 HD21 LEU 51 HD21 LEU 51 1.878 -11.955 14.928 389 HD22 LEU 51 HD22 LEU 51 0.720 -13.265 14.691 390 HD23 LEU 51 HD23 LEU 51 2.443 -13.553 14.446 391 H TYR 52 HN TYR 52 0.389 -11.008 19.689 392 HA TYR 52 HA TYR 52 -2.243 -11.467 20.528 393 HB2 TYR 52 HB2 TYR 52 -0.098 -10.700 21.863 394 HB3 TYR 52 HB1 TYR 52 -0.739 -9.083 21.606 395 HD1 TYR 52 HD1 TYR 52 -3.097 -8.572 22.356 396 HD2 TYR 52 HD2 TYR 52 -1.036 -12.153 23.503 397 HE1 TYR 52 HE1 TYR 52 -4.708 -8.898 24.216 398 HE2 TYR 52 HE2 TYR 52 -2.642 -12.485 25.364 399 HH TYR 52 HH TYR 52 -4.618 -11.813 26.227 400 H GLN 53 HN GLN 53 -0.869 -8.408 19.282 401 HA GLN 53 HA GLN 53 -3.337 -6.945 19.362 402 HB2 GLN 53 HB2 GLN 53 -1.000 -6.568 17.460 403 HB3 GLN 53 HB1 GLN 53 -2.227 -5.366 17.863 404 HG2 GLN 53 HG2 GLN 53 -1.499 -5.363 20.201 405 HG3 GLN 53 HG1 GLN 53 -0.318 -6.626 19.855 406 HE21 GLN 53 HE21 GLN 53 -1.184 -3.274 18.854 407 HE22 GLN 53 HE22 GLN 53 0.410 -2.809 18.505 408 H LEU 54 HN LEU 54 -1.726 -8.686 16.669 409 HA LEU 54 HA LEU 54 -3.755 -8.275 14.748 410 HB2 LEU 54 HB2 LEU 54 -1.966 -10.655 15.125 411 HB3 LEU 54 HB1 LEU 54 -2.912 -10.338 13.674 412 HG LEU 54 HG LEU 54 -0.835 -8.469 14.827 413 HD11 LEU 54 HD11 LEU 54 -0.644 -10.125 12.295 414 HD12 LEU 54 HD12 LEU 54 -0.006 -10.681 13.843 415 HD13 LEU 54 HD13 LEU 54 0.641 -9.225 13.097 416 HD21 LEU 54 HD21 LEU 54 -2.712 -8.338 12.480 417 HD22 LEU 54 HD22 LEU 54 -1.127 -7.582 12.343 418 HD23 LEU 54 HD23 LEU 54 -2.237 -7.067 13.605 419 H GLU 55 HN GLU 55 -3.466 -10.490 17.383 420 HA GLU 55 HA GLU 55 -5.767 -12.097 16.677 421 HB2 GLU 55 HB2 GLU 55 -3.773 -12.707 18.233 422 HB3 GLU 55 HB1 GLU 55 -4.687 -11.840 19.463 423 HG2 GLU 55 HG2 GLU 55 -6.677 -13.312 18.834 424 HG3 GLU 55 HG1 GLU 55 -5.533 -14.296 17.921 425 H ASN 56 HN ASN 56 -5.405 -8.985 17.851 426 HA ASN 56 HA ASN 56 -7.717 -8.954 19.639 427 HB2 ASN 56 HB2 ASN 56 -5.625 -7.416 19.659 428 HB3 ASN 56 HB1 ASN 56 -6.448 -6.522 18.382 429 HD21 ASN 56 HD21 ASN 56 -5.872 -5.854 21.338 430 HD22 ASN 56 HD22 ASN 56 -7.383 -5.389 21.953 431 H TYR 57 HN TYR 57 -7.222 -8.528 16.223 432 HA TYR 57 HA TYR 57 -9.880 -7.230 15.893 433 HB2 TYR 57 HB2 TYR 57 -7.935 -7.915 13.694 434 HB3 TYR 57 HB1 TYR 57 -9.134 -6.630 13.733 435 HD1 TYR 57 HD1 TYR 57 -8.788 -4.647 15.306 436 HD2 TYR 57 HD2 TYR 57 -5.800 -7.621 14.619 437 HE1 TYR 57 HE1 TYR 57 -7.082 -3.129 16.239 438 HE2 TYR 57 HE2 TYR 57 -4.067 -6.110 15.568 439 HH TYR 57 HH TYR 57 -4.891 -3.232 17.256 440 H CYS 58 HN CYS 58 -8.573 -10.329 15.954 441 HA CYS 58 HA CYS 58 -9.927 -11.619 13.823 442 HB2 CYS 58 HB2 CYS 58 -9.161 -12.671 16.554 443 HB3 CYS 58 HB1 CYS 58 -9.657 -13.671 15.192 444 H GLY 59 HN GLY 59 -12.047 -11.042 13.558 445 HA2 GLY 59 HA2 GLY 59 -13.896 -10.960 15.833 446 HA3 GLY 59 HA1 GLY 59 -14.325 -10.713 14.140 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 6.484 -14.958 8.573 2 H2 PHE 1 HT2 PHE 1 5.827 -16.209 9.516 3 H3 PHE 1 HT3 PHE 1 7.047 -15.213 10.152 4 HA PHE 1 HA PHE 1 5.268 -13.361 9.542 5 HB2 PHE 1 HB2 PHE 1 3.556 -14.802 8.738 6 HB3 PHE 1 HB1 PHE 1 3.799 -15.951 10.045 7 HD1 PHE 1 HD1 PHE 1 1.417 -15.940 10.560 8 HD2 PHE 1 HD2 PHE 1 3.714 -12.307 10.818 9 HE1 PHE 1 HE1 PHE 1 -0.406 -14.863 11.842 10 HE2 PHE 1 HE2 PHE 1 1.899 -11.248 12.103 11 HZ PHE 1 HZ PHE 1 -0.169 -12.521 12.602 12 H VAL 2 HN VAL 2 7.050 -13.057 11.219 13 HA VAL 2 HA VAL 2 5.841 -13.212 13.930 14 HB VAL 2 HB VAL 2 8.243 -13.855 14.742 15 HG11 VAL 2 HG11 VAL 2 7.724 -16.269 14.459 16 HG12 VAL 2 HG12 VAL 2 6.458 -15.839 13.309 17 HG13 VAL 2 HG13 VAL 2 6.326 -15.338 14.995 18 HG21 VAL 2 HG21 VAL 2 9.133 -13.550 12.349 19 HG22 VAL 2 HG22 VAL 2 8.340 -15.080 11.976 20 HG23 VAL 2 HG23 VAL 2 9.622 -15.023 13.185 21 H ASN 3 HN ASN 3 9.147 -12.522 13.915 22 HA ASN 3 HA ASN 3 8.706 -9.747 14.589 23 HB2 ASN 3 HB2 ASN 3 11.295 -11.136 13.834 24 HB3 ASN 3 HB1 ASN 3 11.149 -9.593 14.677 25 HD21 ASN 3 HD21 ASN 3 12.180 -12.431 15.514 26 HD22 ASN 3 HD22 ASN 3 11.408 -12.694 17.002 27 H GLN 4 HN GLN 4 7.435 -9.469 12.418 28 HA GLN 4 HA GLN 4 9.246 -8.080 10.546 29 HB2 GLN 4 HB2 GLN 4 8.113 -9.263 8.584 30 HB3 GLN 4 HB1 GLN 4 9.278 -10.224 9.495 31 HG2 GLN 4 HG2 GLN 4 7.467 -11.266 10.771 32 HG3 GLN 4 HG1 GLN 4 6.279 -10.263 9.936 33 HE21 GLN 4 HE21 GLN 4 8.037 -13.221 9.760 34 HE22 GLN 4 HE22 GLN 4 7.603 -13.642 8.173 35 H HIS 5 HN HIS 5 8.208 -6.367 9.551 36 HA HIS 5 HA HIS 5 5.716 -5.476 10.640 37 HB2 HIS 5 HB2 HIS 5 5.947 -3.828 8.556 38 HB3 HIS 5 HB1 HIS 5 7.023 -3.682 9.937 39 HD2 HIS 5 HD2 HIS 5 9.577 -5.188 9.500 40 HE1 HIS 5 HE1 HIS 5 9.322 -4.596 5.333 41 HE2 HIS 5 HE2 HIS 5 10.862 -5.259 7.240 42 H LEU 6 HN LEU 6 3.722 -5.189 9.529 43 HA LEU 6 HA LEU 6 3.241 -7.115 7.266 44 HB2 LEU 6 HB2 LEU 6 1.835 -6.603 9.847 45 HB3 LEU 6 HB1 LEU 6 0.810 -6.850 8.447 46 HG LEU 6 HG LEU 6 1.717 -9.037 8.054 47 HD11 LEU 6 HD11 LEU 6 4.034 -8.911 8.406 48 HD12 LEU 6 HD12 LEU 6 3.512 -9.854 9.794 49 HD13 LEU 6 HD13 LEU 6 3.849 -8.133 9.976 50 HD21 LEU 6 HD21 LEU 6 1.307 -8.570 11.012 51 HD22 LEU 6 HD22 LEU 6 1.311 -10.144 10.243 52 HD23 LEU 6 HD23 LEU 6 0.060 -8.984 9.847 53 H CYS 7 HN CYS 7 2.769 -5.975 5.434 54 HA CYS 7 HA CYS 7 1.053 -3.536 5.695 55 HB2 CYS 7 HB2 CYS 7 3.337 -3.913 3.748 56 HB3 CYS 7 HB1 CYS 7 2.339 -2.471 3.936 57 H GLY 8 HN GLY 8 -0.767 -3.706 4.597 58 HA2 GLY 8 HA2 GLY 8 -2.356 -4.395 3.041 59 HA3 GLY 8 HA1 GLY 8 -1.014 -4.599 1.917 60 H SER 9 HN SER 9 -1.382 -6.557 1.017 61 HA SER 9 HA SER 9 -2.728 -8.761 1.952 62 HB2 SER 9 HB2 SER 9 -0.142 -8.802 0.372 63 HB3 SER 9 HB1 SER 9 -1.272 -10.147 0.500 64 HG SER 9 HG SER 9 -1.676 -7.590 -0.657 65 H HIS 10 HN HIS 10 0.582 -7.841 2.851 66 HA HIS 10 HA HIS 10 1.265 -10.271 4.172 67 HB2 HIS 10 HB2 HIS 10 2.716 -8.141 3.656 68 HB3 HIS 10 HB1 HIS 10 2.155 -7.598 5.229 69 HD2 HIS 10 HD2 HIS 10 5.314 -8.907 4.356 70 HE1 HIS 10 HE1 HIS 10 4.242 -11.599 7.421 71 HE2 HIS 10 HE2 HIS 10 6.166 -10.711 6.021 72 H LEU 11 HN LEU 11 -0.631 -7.479 5.177 73 HA LEU 11 HA LEU 11 -0.837 -8.316 7.929 74 HB2 LEU 11 HB2 LEU 11 -1.159 -5.947 7.218 75 HB3 LEU 11 HB1 LEU 11 -2.595 -6.434 6.335 76 HG LEU 11 HG LEU 11 -3.773 -6.925 8.313 77 HD11 LEU 11 HD11 LEU 11 -1.093 -6.840 9.689 78 HD12 LEU 11 HD12 LEU 11 -2.295 -8.127 9.719 79 HD13 LEU 11 HD13 LEU 11 -2.577 -6.630 10.603 80 HD21 LEU 11 HD21 LEU 11 -2.972 -4.395 7.778 81 HD22 LEU 11 HD22 LEU 11 -2.342 -4.558 9.416 82 HD23 LEU 11 HD23 LEU 11 -4.060 -4.799 9.101 83 H VAL 12 HN VAL 12 -3.008 -8.458 5.146 84 HA VAL 12 HA VAL 12 -5.102 -9.894 6.427 85 HB VAL 12 HB VAL 12 -4.132 -9.702 3.571 86 HG11 VAL 12 HG11 VAL 12 -6.616 -10.789 3.239 87 HG12 VAL 12 HG12 VAL 12 -6.107 -11.649 4.687 88 HG13 VAL 12 HG13 VAL 12 -5.139 -11.748 3.225 89 HG21 VAL 12 HG21 VAL 12 -6.147 -8.387 3.285 90 HG22 VAL 12 HG22 VAL 12 -5.257 -7.781 4.682 91 HG23 VAL 12 HG23 VAL 12 -6.684 -8.791 4.916 92 H GLU 13 HN GLU 13 -2.608 -11.158 4.237 93 HA GLU 13 HA GLU 13 -2.984 -13.871 4.579 94 HB2 GLU 13 HB2 GLU 13 -0.335 -12.406 4.424 95 HB3 GLU 13 HB1 GLU 13 -0.541 -14.139 4.163 96 HG2 GLU 13 HG2 GLU 13 -1.825 -13.817 2.205 97 HG3 GLU 13 HG1 GLU 13 -2.154 -12.129 2.597 98 H ALA 14 HN ALA 14 -1.604 -11.625 6.931 99 HA ALA 14 HA ALA 14 -0.705 -13.836 8.670 100 HB1 ALA 14 HB1 ALA 14 -0.545 -11.582 10.222 101 HB2 ALA 14 HB2 ALA 14 -0.507 -10.869 8.612 102 HB3 ALA 14 HB3 ALA 14 0.706 -12.060 9.073 103 H LEU 15 HN LEU 15 -3.054 -11.130 9.113 104 HA LEU 15 HA LEU 15 -4.280 -12.039 11.445 105 HB2 LEU 15 HB2 LEU 15 -5.443 -10.662 9.028 106 HB3 LEU 15 HB1 LEU 15 -6.432 -11.021 10.436 107 HG LEU 15 HG LEU 15 -3.812 -9.598 10.857 108 HD11 LEU 15 HD11 LEU 15 -6.343 -8.048 10.304 109 HD12 LEU 15 HD12 LEU 15 -5.241 -8.452 8.997 110 HD13 LEU 15 HD13 LEU 15 -4.685 -7.476 10.346 111 HD21 LEU 15 HD21 LEU 15 -5.190 -10.390 12.782 112 HD22 LEU 15 HD22 LEU 15 -6.536 -9.418 12.195 113 HD23 LEU 15 HD23 LEU 15 -5.060 -8.635 12.746 114 H TYR 16 HN TYR 16 -4.808 -13.136 8.135 115 HA TYR 16 HA TYR 16 -7.100 -14.700 8.454 116 HB2 TYR 16 HB2 TYR 16 -6.358 -14.611 6.255 117 HB3 TYR 16 HB1 TYR 16 -4.675 -14.801 6.711 118 HD1 TYR 16 HD1 TYR 16 -3.785 -16.721 5.711 119 HD2 TYR 16 HD2 TYR 16 -7.748 -16.863 7.365 120 HE1 TYR 16 HE1 TYR 16 -3.908 -19.138 5.202 121 HE2 TYR 16 HE2 TYR 16 -7.874 -19.286 6.847 122 HH TYR 16 HH TYR 16 -5.128 -21.115 5.945 123 H LEU 17 HN LEU 17 -3.736 -15.502 9.294 124 HA LEU 17 HA LEU 17 -4.428 -18.181 10.234 125 HB2 LEU 17 HB2 LEU 17 -1.948 -16.459 10.539 126 HB3 LEU 17 HB1 LEU 17 -2.089 -18.073 11.224 127 HG LEU 17 HG LEU 17 -2.747 -18.777 8.767 128 HD11 LEU 17 HD11 LEU 17 -1.227 -16.192 8.342 129 HD12 LEU 17 HD12 LEU 17 -2.892 -16.505 7.856 130 HD13 LEU 17 HD13 LEU 17 -1.572 -17.374 7.082 131 HD21 LEU 17 HD21 LEU 17 -0.339 -19.098 8.237 132 HD22 LEU 17 HD22 LEU 17 -0.706 -19.527 9.908 133 HD23 LEU 17 HD23 LEU 17 0.080 -17.991 9.544 134 H VAL 18 HN VAL 18 -3.432 -15.145 11.790 135 HA VAL 18 HA VAL 18 -3.647 -15.883 14.482 136 HB VAL 18 HB VAL 18 -4.619 -13.260 13.324 137 HG11 VAL 18 HG11 VAL 18 -3.260 -13.826 15.954 138 HG12 VAL 18 HG12 VAL 18 -5.010 -13.720 15.762 139 HG13 VAL 18 HG13 VAL 18 -3.999 -12.313 15.433 140 HG21 VAL 18 HG21 VAL 18 -2.215 -12.535 13.719 141 HG22 VAL 18 HG22 VAL 18 -2.440 -13.651 12.372 142 HG23 VAL 18 HG23 VAL 18 -1.813 -14.241 13.911 143 H CYS 19 HN CYS 19 -6.237 -14.484 12.461 144 HA CYS 19 HA CYS 19 -8.289 -15.036 14.454 145 HB2 CYS 19 HB2 CYS 19 -8.742 -14.350 11.544 146 HB3 CYS 19 HB1 CYS 19 -9.759 -13.959 12.934 147 H GLY 20 HN GLY 20 -6.904 -16.744 11.757 148 HA2 GLY 20 HA2 GLY 20 -7.459 -18.815 10.796 149 HA3 GLY 20 HA1 GLY 20 -8.143 -19.206 12.377 150 H GLU 21 HN GLU 21 -10.300 -19.605 12.368 151 HA GLU 21 HA GLU 21 -11.886 -18.891 9.994 152 HB2 GLU 21 HB2 GLU 21 -12.594 -20.397 12.527 153 HB3 GLU 21 HB1 GLU 21 -13.689 -20.172 11.162 154 HG2 GLU 21 HG2 GLU 21 -12.100 -21.324 9.679 155 HG3 GLU 21 HG1 GLU 21 -10.981 -21.531 11.027 156 H ARG 22 HN ARG 22 -11.401 -17.699 13.232 157 HA ARG 22 HA ARG 22 -13.845 -16.363 13.686 158 HB2 ARG 22 HB2 ARG 22 -11.022 -15.485 14.370 159 HB3 ARG 22 HB1 ARG 22 -12.480 -14.722 15.006 160 HG2 ARG 22 HG2 ARG 22 -13.168 -17.065 15.807 161 HG3 ARG 22 HG1 ARG 22 -11.505 -17.546 15.470 162 HD2 ARG 22 HD2 ARG 22 -10.650 -15.900 17.030 163 HD3 ARG 22 HD1 ARG 22 -12.261 -15.226 17.270 164 HE ARG 22 HE ARG 22 -12.540 -17.891 17.985 165 HH11 ARG 22 HH11 ARG 22 -12.218 -18.618 20.100 166 HH12 ARG 22 HH12 ARG 22 -11.199 -17.712 21.167 167 HH21 ARG 22 HH21 ARG 22 -10.461 -15.271 18.819 168 HH22 ARG 22 HH22 ARG 22 -10.204 -15.818 20.442 169 H GLY 23 HN GLY 23 -11.079 -15.424 11.685 170 HA2 GLY 23 HA2 GLY 23 -11.039 -13.919 9.872 171 HA3 GLY 23 HA1 GLY 23 -12.779 -13.715 10.065 172 H PHE 24 HN PHE 24 -11.158 -11.539 9.516 173 HA PHE 24 HA PHE 24 -11.485 -9.899 11.992 174 HB2 PHE 24 HB2 PHE 24 -9.344 -8.730 11.450 175 HB3 PHE 24 HB1 PHE 24 -9.105 -10.418 11.877 176 HD1 PHE 24 HD1 PHE 24 -9.069 -12.154 9.950 177 HD2 PHE 24 HD2 PHE 24 -8.542 -7.923 9.400 178 HE1 PHE 24 HE1 PHE 24 -8.026 -12.579 7.739 179 HE2 PHE 24 HE2 PHE 24 -7.494 -8.350 7.179 180 HZ PHE 24 HZ PHE 24 -7.258 -10.677 6.365 181 H PHE 25 HN PHE 25 -11.289 -7.461 11.235 182 HA PHE 25 HA PHE 25 -12.711 -7.200 8.609 183 HB2 PHE 25 HB2 PHE 25 -13.883 -5.371 9.546 184 HB3 PHE 25 HB1 PHE 25 -13.825 -6.562 10.849 185 HD1 PHE 25 HD1 PHE 25 -12.895 -3.258 9.814 186 HD2 PHE 25 HD2 PHE 25 -11.981 -6.365 12.608 187 HE1 PHE 25 HE1 PHE 25 -11.696 -1.612 11.235 188 HE2 PHE 25 HE2 PHE 25 -10.784 -4.729 14.033 189 HZ PHE 25 HZ PHE 25 -10.642 -2.352 13.351 190 H TYR 26 HN TYR 26 -11.558 -6.171 7.016 191 HA TYR 26 HA TYR 26 -9.045 -4.783 7.765 192 HB2 TYR 26 HB2 TYR 26 -9.448 -6.501 5.766 193 HB3 TYR 26 HB1 TYR 26 -9.975 -5.055 4.912 194 HD1 TYR 26 HD1 TYR 26 -7.194 -6.045 7.244 195 HD2 TYR 26 HD2 TYR 26 -8.313 -3.965 3.659 196 HE1 TYR 26 HE1 TYR 26 -4.829 -5.457 6.850 197 HE2 TYR 26 HE2 TYR 26 -5.929 -3.372 3.273 198 HH TYR 26 HH TYR 26 -3.368 -4.808 5.053 199 H THR 27 HN THR 27 -8.589 -2.629 6.837 200 HA THR 27 HA THR 27 -10.368 -0.663 7.511 201 HB THR 27 HB THR 27 -8.062 -0.172 6.878 202 HG1 THR 27 HG1 THR 27 -8.968 1.699 6.609 203 HG21 THR 27 HG21 THR 27 -7.241 -0.350 4.669 204 HG22 THR 27 HG22 THR 27 -8.860 -0.490 3.989 205 HG23 THR 27 HG23 THR 27 -8.170 -1.828 4.905 206 HA PRO 28 HA PRO 28 -13.661 -0.936 4.476 207 HB2 PRO 28 HB2 PRO 28 -14.442 1.790 4.511 208 HB3 PRO 28 HB1 PRO 28 -15.078 0.511 5.556 209 HG2 PRO 28 HG2 PRO 28 -13.231 2.702 6.243 210 HG3 PRO 28 HG1 PRO 28 -14.141 1.637 7.325 211 HD2 PRO 28 HD2 PRO 28 -11.343 1.505 6.790 212 HD3 PRO 28 HD1 PRO 28 -12.314 0.311 7.662 213 H ARG 29 HN ARG 29 -10.797 0.003 3.733 214 HA ARG 29 HA ARG 29 -9.701 0.659 1.784 215 HB2 ARG 29 HB2 ARG 29 -12.384 0.744 0.410 216 HB3 ARG 29 HB1 ARG 29 -10.809 0.357 -0.272 217 HG2 ARG 29 HG2 ARG 29 -12.466 -1.346 1.604 218 HG3 ARG 29 HG1 ARG 29 -11.952 -1.718 -0.027 219 HD2 ARG 29 HD2 ARG 29 -10.255 -1.569 2.462 220 HD3 ARG 29 HD1 ARG 29 -10.456 -2.936 1.356 221 HE ARG 29 HE ARG 29 -9.374 -1.022 -0.279 222 HH11 ARG 29 HH11 ARG 29 -7.149 -0.732 -0.539 223 HH12 ARG 29 HH12 ARG 29 -6.076 -1.180 0.745 224 HH21 ARG 29 HH21 ARG 29 -8.616 -2.258 2.845 225 HH22 ARG 29 HH22 ARG 29 -6.909 -2.035 2.664 226 H THR 30 HN THR 30 -12.304 2.483 3.061 227 HA THR 30 HA THR 30 -12.394 4.780 1.471 228 HB THR 30 HB THR 30 -12.763 6.021 3.675 229 HG1 THR 30 HG1 THR 30 -12.055 5.019 5.356 230 HG21 THR 30 HG21 THR 30 -14.843 4.618 4.207 231 HG22 THR 30 HG22 THR 30 -14.299 3.529 2.930 232 HG23 THR 30 HG23 THR 30 -14.692 5.207 2.551 233 H GLU 31 HN GLU 31 -10.455 5.467 0.562 234 HA GLU 31 HA GLU 31 -7.961 5.604 1.971 235 HB2 GLU 31 HB2 GLU 31 -8.768 7.317 -0.393 236 HB3 GLU 31 HB1 GLU 31 -7.141 6.813 0.065 237 HG2 GLU 31 HG2 GLU 31 -7.937 4.409 -0.249 238 HG3 GLU 31 HG1 GLU 31 -9.378 5.086 -1.010 239 H GLU 32 HN GLU 32 -10.754 7.471 2.299 240 HA GLU 32 HA GLU 32 -9.632 10.070 2.751 241 HB2 GLU 32 HB2 GLU 32 -12.077 8.899 4.102 242 HB3 GLU 32 HB1 GLU 32 -11.727 10.605 3.825 243 HG2 GLU 32 HG2 GLU 32 -12.208 8.518 1.678 244 HG3 GLU 32 HG1 GLU 32 -13.330 9.793 2.152 245 H GLY 33 HN GLY 33 -9.796 7.190 4.697 246 HA2 GLY 33 HA2 GLY 33 -8.543 6.721 6.656 247 HA3 GLY 33 HA1 GLY 33 -7.990 8.396 6.665 248 H SER 34 HN SER 34 -8.961 6.962 8.973 249 HA SER 34 HA SER 34 -11.039 8.864 9.820 250 HB2 SER 34 HB2 SER 34 -12.375 7.043 8.840 251 HB3 SER 34 HB1 SER 34 -11.527 5.869 9.842 252 HG SER 34 HG SER 34 -12.448 7.872 11.366 253 H ARG 35 HN ARG 35 -11.483 6.505 11.931 254 HA ARG 35 HA ARG 35 -9.260 7.436 13.692 255 HB2 ARG 35 HB2 ARG 35 -10.753 6.114 15.433 256 HB3 ARG 35 HB1 ARG 35 -11.231 7.725 14.907 257 HG2 ARG 35 HG2 ARG 35 -12.728 6.698 13.205 258 HG3 ARG 35 HG1 ARG 35 -12.273 5.104 13.799 259 HD2 ARG 35 HD2 ARG 35 -13.379 7.179 15.681 260 HD3 ARG 35 HD1 ARG 35 -14.453 6.169 14.714 261 HE ARG 35 HE ARG 35 -12.723 4.354 15.897 262 HH11 ARG 35 HH11 ARG 35 -13.157 3.392 17.896 263 HH12 ARG 35 HH12 ARG 35 -14.199 4.196 19.021 264 HH21 ARG 35 HH21 ARG 35 -14.774 6.918 16.949 265 HH22 ARG 35 HH22 ARG 35 -15.113 6.194 18.486 266 H ARG 36 HN ARG 36 -10.968 4.362 12.980 267 HA ARG 36 HA ARG 36 -8.853 2.762 14.090 268 HB2 ARG 36 HB2 ARG 36 -11.014 1.943 12.125 269 HB3 ARG 36 HB1 ARG 36 -10.051 0.859 13.130 270 HG2 ARG 36 HG2 ARG 36 -10.977 2.295 15.120 271 HG3 ARG 36 HG1 ARG 36 -12.211 2.783 13.969 272 HD2 ARG 36 HD2 ARG 36 -11.596 0.010 14.973 273 HD3 ARG 36 HD1 ARG 36 -13.118 0.885 15.094 274 HE ARG 36 HE ARG 36 -12.294 -0.822 12.937 275 HH11 ARG 36 HH11 ARG 36 -13.161 -0.693 10.867 276 HH12 ARG 36 HH12 ARG 36 -14.089 0.696 10.415 277 HH21 ARG 36 HH21 ARG 36 -13.789 2.242 13.493 278 HH22 ARG 36 HH22 ARG 36 -14.440 2.350 11.894 279 H SER 37 HN SER 37 -8.938 0.884 11.705 280 HA SER 37 HA SER 37 -7.552 0.377 9.904 281 HB2 SER 37 HB2 SER 37 -8.799 1.801 8.540 282 HB3 SER 37 HB1 SER 37 -8.293 3.248 9.400 283 HG SER 37 HG SER 37 -6.798 1.620 7.629 284 H ARG 38 HN ARG 38 -6.414 3.702 10.690 285 HA ARG 38 HA ARG 38 -3.674 3.067 10.294 286 HB2 ARG 38 HB2 ARG 38 -3.173 5.139 11.441 287 HB3 ARG 38 HB1 ARG 38 -4.640 5.395 10.497 288 HG2 ARG 38 HG2 ARG 38 -5.947 4.795 12.604 289 HG3 ARG 38 HG1 ARG 38 -4.421 4.908 13.477 290 HD2 ARG 38 HD2 ARG 38 -4.459 7.276 12.004 291 HD3 ARG 38 HD1 ARG 38 -6.147 7.076 12.457 292 HE ARG 38 HE ARG 38 -4.149 8.034 14.176 293 HH11 ARG 38 HH11 ARG 38 -4.204 7.855 16.413 294 HH12 ARG 38 HH12 ARG 38 -5.206 6.650 17.152 295 HH21 ARG 38 HH21 ARG 38 -6.409 5.420 14.149 296 HH22 ARG 38 HH22 ARG 38 -6.449 5.274 15.871 297 H GLY 39 HN GLY 39 -5.822 2.200 12.801 298 HA2 GLY 39 HA2 GLY 39 -3.747 1.815 14.840 299 HA3 GLY 39 HA1 GLY 39 -5.438 1.326 14.972 300 H ILE 40 HN ILE 40 -5.284 -0.027 12.292 301 HA ILE 40 HA ILE 40 -3.991 -2.522 13.264 302 HB ILE 40 HB ILE 40 -6.512 -2.193 12.507 303 HG12 ILE 40 HG12 ILE 40 -6.130 -4.336 13.246 304 HG13 ILE 40 HG11 ILE 40 -6.387 -4.683 11.556 305 HG21 ILE 40 HG21 ILE 40 -6.937 -2.826 10.205 306 HG22 ILE 40 HG22 ILE 40 -5.213 -2.917 9.871 307 HG23 ILE 40 HG23 ILE 40 -5.958 -1.366 10.262 308 HD11 ILE 40 HD11 ILE 40 -3.802 -4.709 13.115 309 HD12 ILE 40 HD12 ILE 40 -3.774 -4.458 11.373 310 HD13 ILE 40 HD13 ILE 40 -4.466 -5.921 12.038 311 H VAL 41 HN VAL 41 -4.335 -0.724 10.139 312 HA VAL 41 HA VAL 41 -2.257 -2.286 8.879 313 HB VAL 41 HB VAL 41 -3.116 0.481 8.020 314 HG11 VAL 41 HG11 VAL 41 -2.587 -0.442 5.780 315 HG12 VAL 41 HG12 VAL 41 -2.119 -1.968 6.529 316 HG13 VAL 41 HG13 VAL 41 -1.189 -0.505 6.853 317 HG21 VAL 41 HG21 VAL 41 -4.533 -2.175 7.763 318 HG22 VAL 41 HG22 VAL 41 -4.754 -0.915 6.549 319 HG23 VAL 41 HG23 VAL 41 -5.199 -0.609 8.224 320 H GLU 42 HN GLU 42 -2.160 1.225 9.653 321 HA GLU 42 HA GLU 42 0.631 1.455 9.289 322 HB2 GLU 42 HB2 GLU 42 -1.173 3.049 11.126 323 HB3 GLU 42 HB1 GLU 42 0.468 3.511 10.682 324 HG2 GLU 42 HG2 GLU 42 -0.199 3.503 8.291 325 HG3 GLU 42 HG1 GLU 42 -1.853 3.119 8.771 326 H GLN 43 HN GLN 43 -1.128 0.944 12.377 327 HA GLN 43 HA GLN 43 1.067 0.881 14.094 328 HB2 GLN 43 HB2 GLN 43 -1.517 0.456 14.490 329 HB3 GLN 43 HB1 GLN 43 -1.045 -1.239 14.416 330 HG2 GLN 43 HG2 GLN 43 -0.095 0.883 16.355 331 HG3 GLN 43 HG1 GLN 43 -0.919 -0.630 16.724 332 HE21 GLN 43 HE21 GLN 43 0.381 -2.479 17.057 333 HE22 GLN 43 HE22 GLN 43 2.063 -2.505 16.835 334 H CYS 44 HN CYS 44 -0.241 -1.970 12.319 335 HA CYS 44 HA CYS 44 2.025 -3.612 13.076 336 HB2 CYS 44 HB2 CYS 44 -0.231 -3.980 11.079 337 HB3 CYS 44 HB1 CYS 44 0.989 -5.205 11.404 338 H CYS 45 HN CYS 45 0.993 -2.190 9.971 339 HA CYS 45 HA CYS 45 3.292 -2.958 8.477 340 HB2 CYS 45 HB2 CYS 45 1.214 -2.085 7.453 341 HB3 CYS 45 HB1 CYS 45 1.542 -0.504 8.155 342 H ARG 46 HN ARG 46 2.603 0.176 10.066 343 HA ARG 46 HA ARG 46 5.187 1.273 9.511 344 HB2 ARG 46 HB2 ARG 46 2.976 2.448 10.253 345 HB3 ARG 46 HB1 ARG 46 3.502 2.078 11.888 346 HG2 ARG 46 HG2 ARG 46 5.477 3.423 10.056 347 HG3 ARG 46 HG1 ARG 46 4.162 4.387 10.691 348 HD2 ARG 46 HD2 ARG 46 6.183 2.823 12.308 349 HD3 ARG 46 HD1 ARG 46 6.097 4.571 12.175 350 HE ARG 46 HE ARG 46 4.645 2.912 14.019 351 HH11 ARG 46 HH11 ARG 46 2.761 3.555 15.038 352 HH12 ARG 46 HH12 ARG 46 1.915 4.956 14.470 353 HH21 ARG 46 HH21 ARG 46 4.174 5.633 11.939 354 HH22 ARG 46 HH22 ARG 46 2.708 6.122 12.719 355 H SER 47 HN SER 47 3.919 -0.594 12.259 356 HA SER 47 HA SER 47 6.743 -0.903 13.229 357 HB2 SER 47 HB2 SER 47 4.300 -0.127 14.826 358 HB3 SER 47 HB1 SER 47 5.690 -0.897 15.586 359 HG SER 47 HG SER 47 5.899 1.390 13.925 360 H ILE 48 HN ILE 48 7.195 -2.966 14.053 361 HA ILE 48 HA ILE 48 5.511 -5.100 13.109 362 HB ILE 48 HB ILE 48 7.687 -5.360 15.198 363 HG12 ILE 48 HG12 ILE 48 7.992 -5.240 12.175 364 HG13 ILE 48 HG11 ILE 48 8.497 -3.971 13.291 365 HG21 ILE 48 HG21 ILE 48 6.723 -7.184 12.975 366 HG22 ILE 48 HG22 ILE 48 6.302 -7.354 14.677 367 HG23 ILE 48 HG23 ILE 48 7.973 -7.567 14.157 368 HD11 ILE 48 HD11 ILE 48 10.432 -5.330 12.753 369 HD12 ILE 48 HD12 ILE 48 9.562 -6.805 13.175 370 HD13 ILE 48 HD13 ILE 48 9.981 -5.639 14.430 371 H CYS 49 HN CYS 49 3.482 -5.115 14.042 372 HA CYS 49 HA CYS 49 3.150 -4.813 16.943 373 HB2 CYS 49 HB2 CYS 49 0.765 -5.057 16.480 374 HB3 CYS 49 HB1 CYS 49 1.465 -3.950 15.305 375 H SER 50 HN SER 50 2.689 -6.489 18.385 376 HA SER 50 HA SER 50 3.609 -9.128 17.661 377 HB2 SER 50 HB2 SER 50 1.958 -8.506 20.110 378 HB3 SER 50 HB1 SER 50 3.228 -9.710 19.922 379 HG SER 50 HG SER 50 4.734 -8.071 19.841 380 H LEU 51 HN LEU 51 2.308 -11.096 17.723 381 HA LEU 51 HA LEU 51 0.001 -11.052 16.120 382 HB2 LEU 51 HB2 LEU 51 0.541 -13.110 18.278 383 HB3 LEU 51 HB1 LEU 51 -0.358 -13.343 16.779 384 HG LEU 51 HG LEU 51 2.597 -12.666 16.941 385 HD11 LEU 51 HD11 LEU 51 2.262 -14.918 17.728 386 HD12 LEU 51 HD12 LEU 51 2.839 -15.021 16.065 387 HD13 LEU 51 HD13 LEU 51 1.128 -15.261 16.421 388 HD21 LEU 51 HD21 LEU 51 1.804 -11.831 14.869 389 HD22 LEU 51 HD22 LEU 51 0.669 -13.166 14.670 390 HD23 LEU 51 HD23 LEU 51 2.398 -13.443 14.469 391 H TYR 52 HN TYR 52 0.334 -10.673 19.600 392 HA TYR 52 HA TYR 52 -2.284 -11.056 20.489 393 HB2 TYR 52 HB2 TYR 52 -0.170 -10.269 21.790 394 HB3 TYR 52 HB1 TYR 52 -0.693 -8.642 21.371 395 HD1 TYR 52 HD1 TYR 52 -3.054 -7.940 21.981 396 HD2 TYR 52 HD2 TYR 52 -1.190 -11.456 23.574 397 HE1 TYR 52 HE1 TYR 52 -4.714 -7.975 23.827 398 HE2 TYR 52 HE2 TYR 52 -2.846 -11.501 25.423 399 HH TYR 52 HH TYR 52 -5.611 -10.179 25.439 400 H GLN 53 HN GLN 53 -0.946 -7.964 19.254 401 HA GLN 53 HA GLN 53 -3.409 -6.546 19.221 402 HB2 GLN 53 HB2 GLN 53 -1.079 -6.253 17.298 403 HB3 GLN 53 HB1 GLN 53 -2.320 -5.042 17.623 404 HG2 GLN 53 HG2 GLN 53 -1.610 -5.145 20.065 405 HG3 GLN 53 HG1 GLN 53 -0.220 -6.089 19.531 406 HE21 GLN 53 HE21 GLN 53 -1.845 -3.195 18.108 407 HE22 GLN 53 HE22 GLN 53 -0.430 -2.259 18.030 408 H LEU 54 HN LEU 54 -1.824 -8.393 16.585 409 HA LEU 54 HA LEU 54 -3.845 -8.043 14.658 410 HB2 LEU 54 HB2 LEU 54 -2.117 -10.449 15.129 411 HB3 LEU 54 HB1 LEU 54 -3.042 -10.152 13.662 412 HG LEU 54 HG LEU 54 -0.922 -8.307 14.774 413 HD11 LEU 54 HD11 LEU 54 -0.169 -10.580 13.840 414 HD12 LEU 54 HD12 LEU 54 0.553 -9.157 13.104 415 HD13 LEU 54 HD13 LEU 54 -0.749 -10.010 12.275 416 HD21 LEU 54 HD21 LEU 54 -2.800 -8.176 12.430 417 HD22 LEU 54 HD22 LEU 54 -1.187 -7.492 12.250 418 HD23 LEU 54 HD23 LEU 54 -2.258 -6.888 13.506 419 H GLU 55 HN GLU 55 -3.588 -10.229 17.344 420 HA GLU 55 HA GLU 55 -5.937 -11.782 16.698 421 HB2 GLU 55 HB2 GLU 55 -3.964 -12.379 18.287 422 HB3 GLU 55 HB1 GLU 55 -4.862 -11.445 19.479 423 HG2 GLU 55 HG2 GLU 55 -6.883 -12.894 18.902 424 HG3 GLU 55 HG1 GLU 55 -5.764 -13.936 18.024 425 H ASN 56 HN ASN 56 -5.512 -8.638 17.771 426 HA ASN 56 HA ASN 56 -7.828 -8.492 19.545 427 HB2 ASN 56 HB2 ASN 56 -5.729 -6.997 19.552 428 HB3 ASN 56 HB1 ASN 56 -6.474 -6.158 18.192 429 HD21 ASN 56 HD21 ASN 56 -5.984 -5.214 21.038 430 HD22 ASN 56 HD22 ASN 56 -7.505 -4.718 21.597 431 H TYR 57 HN TYR 57 -7.329 -8.227 16.120 432 HA TYR 57 HA TYR 57 -9.962 -6.889 15.733 433 HB2 TYR 57 HB2 TYR 57 -8.005 -7.656 13.574 434 HB3 TYR 57 HB1 TYR 57 -9.186 -6.356 13.567 435 HD1 TYR 57 HD1 TYR 57 -8.833 -4.342 15.104 436 HD2 TYR 57 HD2 TYR 57 -5.873 -7.363 14.500 437 HE1 TYR 57 HE1 TYR 57 -7.112 -2.821 16.010 438 HE2 TYR 57 HE2 TYR 57 -4.128 -5.850 15.419 439 HH TYR 57 HH TYR 57 -3.729 -3.540 15.803 440 H CYS 58 HN CYS 58 -8.696 -10.001 15.885 441 HA CYS 58 HA CYS 58 -10.033 -11.318 13.763 442 HB2 CYS 58 HB2 CYS 58 -9.317 -12.321 16.524 443 HB3 CYS 58 HB1 CYS 58 -9.817 -13.345 15.183 444 H GLY 59 HN GLY 59 -12.137 -10.668 13.464 445 HA2 GLY 59 HA2 GLY 59 -14.033 -10.398 15.634 446 HA3 GLY 59 HA1 GLY 59 -14.439 -10.452 13.918 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 6.448 -13.720 7.897 2 H2 PHE 1 HT2 PHE 1 5.176 -14.844 7.961 3 H3 PHE 1 HT3 PHE 1 6.632 -15.157 8.779 4 HA PHE 1 HA PHE 1 4.893 -12.851 9.407 5 HB2 PHE 1 HB2 PHE 1 4.160 -15.483 9.753 6 HB3 PHE 1 HB1 PHE 1 4.986 -15.183 11.274 7 HD1 PHE 1 HD1 PHE 1 1.960 -15.713 10.632 8 HD2 PHE 1 HD2 PHE 1 4.222 -12.142 11.439 9 HE1 PHE 1 HE1 PHE 1 -0.082 -14.611 11.493 10 HE2 PHE 1 HE2 PHE 1 2.171 -11.034 12.276 11 HZ PHE 1 HZ PHE 1 0.018 -12.282 12.322 12 H VAL 2 HN VAL 2 7.920 -13.926 9.250 13 HA VAL 2 HA VAL 2 9.043 -13.908 11.822 14 HB VAL 2 HB VAL 2 11.098 -12.909 10.611 15 HG11 VAL 2 HG11 VAL 2 11.438 -15.022 9.337 16 HG12 VAL 2 HG12 VAL 2 9.737 -15.415 9.586 17 HG13 VAL 2 HG13 VAL 2 10.829 -15.304 10.967 18 HG21 VAL 2 HG21 VAL 2 9.310 -13.402 8.212 19 HG22 VAL 2 HG22 VAL 2 10.968 -12.802 8.197 20 HG23 VAL 2 HG23 VAL 2 9.674 -11.798 8.848 21 H ASN 3 HN ASN 3 10.807 -11.883 12.123 22 HA ASN 3 HA ASN 3 9.155 -9.760 13.187 23 HB2 ASN 3 HB2 ASN 3 12.159 -9.962 12.814 24 HB3 ASN 3 HB1 ASN 3 11.348 -8.682 13.716 25 HD21 ASN 3 HD21 ASN 3 12.902 -9.863 15.430 26 HD22 ASN 3 HD22 ASN 3 12.152 -11.081 16.343 27 H GLN 4 HN GLN 4 8.038 -8.899 11.353 28 HA GLN 4 HA GLN 4 9.648 -6.946 9.819 29 HB2 GLN 4 HB2 GLN 4 8.643 -7.665 7.665 30 HB3 GLN 4 HB1 GLN 4 9.657 -8.926 8.368 31 HG2 GLN 4 HG2 GLN 4 7.490 -9.831 9.432 32 HG3 GLN 4 HG1 GLN 4 6.640 -8.771 8.306 33 HE21 GLN 4 HE21 GLN 4 7.287 -11.903 8.531 34 HE22 GLN 4 HE22 GLN 4 7.656 -12.293 6.921 35 H HIS 5 HN HIS 5 8.155 -5.434 8.609 36 HA HIS 5 HA HIS 5 5.865 -4.804 10.345 37 HB2 HIS 5 HB2 HIS 5 5.931 -2.976 8.150 38 HB3 HIS 5 HB1 HIS 5 6.499 -2.689 9.788 39 HD2 HIS 5 HD2 HIS 5 9.306 -4.193 9.920 40 HE1 HIS 5 HE1 HIS 5 10.211 -2.352 6.234 41 HE2 HIS 5 HE2 HIS 5 11.192 -3.536 8.256 42 H LEU 6 HN LEU 6 3.824 -5.405 9.907 43 HA LEU 6 HA LEU 6 3.205 -6.786 7.377 44 HB2 LEU 6 HB2 LEU 6 1.919 -6.396 10.041 45 HB3 LEU 6 HB1 LEU 6 0.830 -6.619 8.686 46 HG LEU 6 HG LEU 6 1.759 -8.774 8.178 47 HD11 LEU 6 HD11 LEU 6 4.079 -8.634 8.413 48 HD12 LEU 6 HD12 LEU 6 3.650 -9.601 9.819 49 HD13 LEU 6 HD13 LEU 6 3.973 -7.877 10.002 50 HD21 LEU 6 HD21 LEU 6 1.494 -9.951 10.373 51 HD22 LEU 6 HD22 LEU 6 0.183 -8.838 10.017 52 HD23 LEU 6 HD23 LEU 6 1.439 -8.383 11.157 53 H CYS 7 HN CYS 7 2.620 -5.551 5.615 54 HA CYS 7 HA CYS 7 0.891 -3.153 6.099 55 HB2 CYS 7 HB2 CYS 7 3.111 -3.400 4.059 56 HB3 CYS 7 HB1 CYS 7 2.074 -1.994 4.309 57 H GLY 8 HN GLY 8 -0.976 -3.268 5.095 58 HA2 GLY 8 HA2 GLY 8 -2.649 -3.874 3.596 59 HA3 GLY 8 HA1 GLY 8 -1.374 -3.993 2.385 60 H SER 9 HN SER 9 -1.817 -5.890 1.383 61 HA SER 9 HA SER 9 -3.086 -8.160 2.258 62 HB2 SER 9 HB2 SER 9 -0.561 -8.312 0.602 63 HB3 SER 9 HB1 SER 9 -1.956 -9.386 0.543 64 HG SER 9 HG SER 9 -1.736 -7.600 -1.090 65 H HIS 10 HN HIS 10 0.258 -7.259 3.034 66 HA HIS 10 HA HIS 10 1.031 -9.771 4.138 67 HB2 HIS 10 HB2 HIS 10 2.503 -7.710 3.662 68 HB3 HIS 10 HB1 HIS 10 1.943 -7.114 5.219 69 HD2 HIS 10 HD2 HIS 10 4.931 -7.661 5.680 70 HE1 HIS 10 HE1 HIS 10 4.072 -11.687 6.630 71 HE2 HIS 10 HE2 HIS 10 5.825 -9.851 6.758 72 H LEU 11 HN LEU 11 -0.780 -7.047 5.460 73 HA LEU 11 HA LEU 11 -0.814 -8.063 8.155 74 HB2 LEU 11 HB2 LEU 11 -1.243 -5.667 7.615 75 HB3 LEU 11 HB1 LEU 11 -2.713 -6.142 6.782 76 HG LEU 11 HG LEU 11 -3.772 -6.773 8.781 77 HD11 LEU 11 HD11 LEU 11 -2.201 -8.047 10.015 78 HD12 LEU 11 HD12 LEU 11 -2.464 -6.624 11.020 79 HD13 LEU 11 HD13 LEU 11 -1.024 -6.735 10.024 80 HD21 LEU 11 HD21 LEU 11 -3.038 -4.199 8.386 81 HD22 LEU 11 HD22 LEU 11 -2.313 -4.466 9.971 82 HD23 LEU 11 HD23 LEU 11 -4.042 -4.716 9.736 83 H VAL 12 HN VAL 12 -3.155 -8.084 5.514 84 HA VAL 12 HA VAL 12 -5.128 -9.666 6.809 85 HB VAL 12 HB VAL 12 -4.315 -9.282 3.923 86 HG11 VAL 12 HG11 VAL 12 -6.819 -10.385 3.693 87 HG12 VAL 12 HG12 VAL 12 -6.176 -11.336 5.026 88 HG13 VAL 12 HG13 VAL 12 -5.329 -11.301 3.489 89 HG21 VAL 12 HG21 VAL 12 -6.394 -8.004 3.838 90 HG22 VAL 12 HG22 VAL 12 -5.381 -7.429 5.161 91 HG23 VAL 12 HG23 VAL 12 -6.767 -8.465 5.499 92 H GLU 13 HN GLU 13 -2.669 -10.687 4.457 93 HA GLU 13 HA GLU 13 -2.945 -13.435 4.619 94 HB2 GLU 13 HB2 GLU 13 -0.385 -11.820 4.463 95 HB3 GLU 13 HB1 GLU 13 -0.470 -13.559 4.172 96 HG2 GLU 13 HG2 GLU 13 -1.806 -13.297 2.244 97 HG3 GLU 13 HG1 GLU 13 -2.266 -11.651 2.680 98 H ALA 14 HN ALA 14 -1.543 -11.293 7.054 99 HA ALA 14 HA ALA 14 -0.538 -13.583 8.627 100 HB1 ALA 14 HB1 ALA 14 -0.463 -11.311 10.267 101 HB2 ALA 14 HB2 ALA 14 -0.276 -10.656 8.646 102 HB3 ALA 14 HB3 ALA 14 0.852 -11.873 9.233 103 H LEU 15 HN LEU 15 -2.915 -10.959 9.334 104 HA LEU 15 HA LEU 15 -4.034 -12.036 11.643 105 HB2 LEU 15 HB2 LEU 15 -5.331 -10.549 9.363 106 HB3 LEU 15 HB1 LEU 15 -6.246 -11.009 10.792 107 HG LEU 15 HG LEU 15 -3.640 -9.544 11.156 108 HD11 LEU 15 HD11 LEU 15 -5.212 -8.330 9.459 109 HD12 LEU 15 HD12 LEU 15 -4.598 -7.420 10.831 110 HD13 LEU 15 HD13 LEU 15 -6.239 -8.039 10.856 111 HD21 LEU 15 HD21 LEU 15 -6.282 -9.550 12.660 112 HD22 LEU 15 HD22 LEU 15 -4.815 -8.719 13.162 113 HD23 LEU 15 HD23 LEU 15 -4.855 -10.477 13.116 114 H TYR 16 HN TYR 16 -4.651 -12.978 8.300 115 HA TYR 16 HA TYR 16 -6.902 -14.610 8.642 116 HB2 TYR 16 HB2 TYR 16 -6.279 -14.392 6.415 117 HB3 TYR 16 HB1 TYR 16 -4.570 -14.550 6.776 118 HD1 TYR 16 HD1 TYR 16 -3.679 -16.390 5.631 119 HD2 TYR 16 HD2 TYR 16 -7.541 -16.740 7.479 120 HE1 TYR 16 HE1 TYR 16 -3.757 -18.782 5.007 121 HE2 TYR 16 HE2 TYR 16 -7.623 -19.138 6.848 122 HH TYR 16 HH TYR 16 -6.292 -20.534 4.755 123 H LEU 17 HN LEU 17 -3.479 -15.372 9.263 124 HA LEU 17 HA LEU 17 -4.064 -18.112 10.089 125 HB2 LEU 17 HB2 LEU 17 -1.612 -16.348 10.378 126 HB3 LEU 17 HB1 LEU 17 -1.684 -18.004 10.965 127 HG LEU 17 HG LEU 17 -2.446 -18.572 8.503 128 HD11 LEU 17 HD11 LEU 17 -2.682 -16.255 7.738 129 HD12 LEU 17 HD12 LEU 17 -1.376 -17.039 6.857 130 HD13 LEU 17 HD13 LEU 17 -1.006 -15.926 8.172 131 HD21 LEU 17 HD21 LEU 17 -0.348 -19.365 9.462 132 HD22 LEU 17 HD22 LEU 17 0.388 -17.778 9.240 133 HD23 LEU 17 HD23 LEU 17 -0.039 -18.756 7.835 134 H VAL 18 HN VAL 18 -3.058 -15.143 11.764 135 HA VAL 18 HA VAL 18 -3.128 -16.033 14.417 136 HB VAL 18 HB VAL 18 -4.223 -13.375 13.468 137 HG11 VAL 18 HG11 VAL 18 -2.679 -14.059 15.963 138 HG12 VAL 18 HG12 VAL 18 -4.441 -13.995 15.890 139 HG13 VAL 18 HG13 VAL 18 -3.491 -12.540 15.585 140 HG21 VAL 18 HG21 VAL 18 -1.846 -12.582 13.700 141 HG22 VAL 18 HG22 VAL 18 -2.082 -13.710 12.365 142 HG23 VAL 18 HG23 VAL 18 -1.352 -14.266 13.871 143 H CYS 19 HN CYS 19 -5.832 -14.595 12.589 144 HA CYS 19 HA CYS 19 -7.789 -15.331 14.627 145 HB2 CYS 19 HB2 CYS 19 -8.359 -14.422 11.800 146 HB3 CYS 19 HB1 CYS 19 -9.341 -14.175 13.247 147 H GLY 20 HN GLY 20 -6.496 -16.787 11.737 148 HA2 GLY 20 HA2 GLY 20 -7.066 -18.777 10.621 149 HA3 GLY 20 HA1 GLY 20 -7.624 -19.326 12.204 150 H GLU 21 HN GLU 21 -9.758 -19.831 12.283 151 HA GLU 21 HA GLU 21 -11.528 -18.976 10.096 152 HB2 GLU 21 HB2 GLU 21 -12.285 -20.573 12.554 153 HB3 GLU 21 HB1 GLU 21 -13.117 -20.524 11.001 154 HG2 GLU 21 HG2 GLU 21 -11.888 -22.550 10.940 155 HG3 GLU 21 HG1 GLU 21 -10.924 -21.421 9.989 156 H ARG 22 HN ARG 22 -10.823 -18.017 13.355 157 HA ARG 22 HA ARG 22 -13.263 -16.826 14.129 158 HB2 ARG 22 HB2 ARG 22 -10.496 -15.683 14.615 159 HB3 ARG 22 HB1 ARG 22 -11.941 -15.404 15.588 160 HG2 ARG 22 HG2 ARG 22 -12.023 -17.766 16.208 161 HG3 ARG 22 HG1 ARG 22 -10.645 -18.112 15.162 162 HD2 ARG 22 HD2 ARG 22 -9.775 -17.907 17.390 163 HD3 ARG 22 HD1 ARG 22 -9.322 -16.434 16.534 164 HE ARG 22 HE ARG 22 -11.742 -15.796 17.730 165 HH11 ARG 22 HH11 ARG 22 -11.874 -14.900 19.801 166 HH12 ARG 22 HH12 ARG 22 -10.587 -15.166 20.929 167 HH21 ARG 22 HH21 ARG 22 -8.706 -17.082 18.735 168 HH22 ARG 22 HH22 ARG 22 -8.793 -16.401 20.325 169 H GLY 23 HN GLY 23 -10.720 -15.628 11.972 170 HA2 GLY 23 HA2 GLY 23 -10.889 -13.999 10.279 171 HA3 GLY 23 HA1 GLY 23 -12.610 -13.872 10.638 172 H PHE 24 HN PHE 24 -11.004 -11.627 10.107 173 HA PHE 24 HA PHE 24 -11.221 -10.150 12.698 174 HB2 PHE 24 HB2 PHE 24 -9.142 -8.900 12.101 175 HB3 PHE 24 HB1 PHE 24 -8.851 -10.602 12.418 176 HD1 PHE 24 HD1 PHE 24 -8.889 -12.226 10.386 177 HD2 PHE 24 HD2 PHE 24 -8.456 -7.960 10.066 178 HE1 PHE 24 HE1 PHE 24 -7.944 -12.499 8.105 179 HE2 PHE 24 HE2 PHE 24 -7.508 -8.236 7.778 180 HZ PHE 24 HZ PHE 24 -7.274 -10.502 6.814 181 H PHE 25 HN PHE 25 -11.108 -7.651 12.088 182 HA PHE 25 HA PHE 25 -12.733 -7.278 9.602 183 HB2 PHE 25 HB2 PHE 25 -13.909 -5.604 10.716 184 HB3 PHE 25 HB1 PHE 25 -13.568 -6.723 12.034 185 HD1 PHE 25 HD1 PHE 25 -12.862 -3.483 10.589 186 HD2 PHE 25 HD2 PHE 25 -11.759 -6.215 13.684 187 HE1 PHE 25 HE1 PHE 25 -11.658 -1.649 11.754 188 HE2 PHE 25 HE2 PHE 25 -10.545 -4.396 14.857 189 HZ PHE 25 HZ PHE 25 -10.500 -2.110 13.898 190 H TYR 26 HN TYR 26 -11.734 -6.234 7.957 191 HA TYR 26 HA TYR 26 -9.260 -4.652 8.535 192 HB2 TYR 26 HB2 TYR 26 -9.515 -6.584 6.705 193 HB3 TYR 26 HB1 TYR 26 -10.180 -5.277 5.731 194 HD1 TYR 26 HD1 TYR 26 -7.290 -5.948 8.017 195 HD2 TYR 26 HD2 TYR 26 -8.667 -3.984 4.463 196 HE1 TYR 26 HE1 TYR 26 -4.980 -5.199 7.547 197 HE2 TYR 26 HE2 TYR 26 -6.348 -3.208 4.003 198 HH TYR 26 HH TYR 26 -3.705 -3.872 6.277 199 H THR 27 HN THR 27 -9.069 -2.543 7.310 200 HA THR 27 HA THR 27 -11.192 -0.804 7.793 201 HB THR 27 HB THR 27 -8.982 0.047 7.233 202 HG1 THR 27 HG1 THR 27 -9.599 1.609 5.721 203 HG21 THR 27 HG21 THR 27 -9.508 -1.074 4.468 204 HG22 THR 27 HG22 THR 27 -8.390 -1.754 5.649 205 HG23 THR 27 HG23 THR 27 -8.082 -0.161 4.961 206 HA PRO 28 HA PRO 28 -14.274 -1.968 4.820 207 HB2 PRO 28 HB2 PRO 28 -15.108 0.727 4.167 208 HB3 PRO 28 HB1 PRO 28 -15.890 -0.411 5.269 209 HG2 PRO 28 HG2 PRO 28 -14.268 1.939 5.928 210 HG3 PRO 28 HG1 PRO 28 -15.249 0.936 7.008 211 HD2 PRO 28 HD2 PRO 28 -12.413 0.979 6.899 212 HD3 PRO 28 HD1 PRO 28 -13.416 -0.224 7.728 213 H ARG 29 HN ARG 29 -13.535 1.167 3.385 214 HA ARG 29 HA ARG 29 -11.603 0.247 1.468 215 HB2 ARG 29 HB2 ARG 29 -13.129 0.283 -0.520 216 HB3 ARG 29 HB1 ARG 29 -13.431 -1.066 0.566 217 HG2 ARG 29 HG2 ARG 29 -15.010 1.386 1.189 218 HG3 ARG 29 HG1 ARG 29 -15.390 0.655 -0.363 219 HD2 ARG 29 HD2 ARG 29 -15.547 -0.660 2.370 220 HD3 ARG 29 HD1 ARG 29 -16.868 -0.321 1.256 221 HE ARG 29 HE ARG 29 -15.223 -1.978 -0.213 222 HH11 ARG 29 HH11 ARG 29 -15.421 -4.229 -0.192 223 HH12 ARG 29 HH12 ARG 29 -16.122 -5.011 1.186 224 HH21 ARG 29 HH21 ARG 29 -16.670 -2.057 2.916 225 HH22 ARG 29 HH22 ARG 29 -16.827 -3.782 2.946 226 H THR 30 HN THR 30 -12.525 2.560 3.203 227 HA THR 30 HA THR 30 -13.114 4.716 1.313 228 HB THR 30 HB THR 30 -12.743 6.156 3.387 229 HG1 THR 30 HG1 THR 30 -12.965 4.474 5.258 230 HG21 THR 30 HG21 THR 30 -14.724 3.866 3.500 231 HG22 THR 30 HG22 THR 30 -14.975 5.428 2.721 232 HG23 THR 30 HG23 THR 30 -14.825 5.332 4.475 233 H GLU 31 HN GLU 31 -11.477 5.263 -0.057 234 HA GLU 31 HA GLU 31 -8.670 5.242 0.882 235 HB2 GLU 31 HB2 GLU 31 -9.910 5.897 -1.810 236 HB3 GLU 31 HB1 GLU 31 -8.176 5.885 -1.486 237 HG2 GLU 31 HG2 GLU 31 -8.489 3.482 -0.667 238 HG3 GLU 31 HG1 GLU 31 -10.097 3.553 -1.390 239 H GLU 32 HN GLU 32 -11.293 7.416 0.615 240 HA GLU 32 HA GLU 32 -9.821 9.855 0.170 241 HB2 GLU 32 HB2 GLU 32 -12.405 9.675 1.725 242 HB3 GLU 32 HB1 GLU 32 -11.843 10.981 0.680 243 HG2 GLU 32 HG2 GLU 32 -12.667 8.202 -0.218 244 HG3 GLU 32 HG1 GLU 32 -13.578 9.690 -0.469 245 H GLY 33 HN GLY 33 -10.653 7.963 2.996 246 HA2 GLY 33 HA2 GLY 33 -8.546 9.118 4.575 247 HA3 GLY 33 HA1 GLY 33 -10.105 9.776 5.072 248 H SER 34 HN SER 34 -8.251 7.917 6.496 249 HA SER 34 HA SER 34 -9.928 5.450 6.675 250 HB2 SER 34 HB2 SER 34 -7.483 5.156 6.417 251 HB3 SER 34 HB1 SER 34 -7.226 6.068 7.901 252 HG SER 34 HG SER 34 -8.006 4.440 9.052 253 H ARG 35 HN ARG 35 -9.453 4.686 9.240 254 HA ARG 35 HA ARG 35 -10.236 6.897 11.051 255 HB2 ARG 35 HB2 ARG 35 -12.170 5.437 11.874 256 HB3 ARG 35 HB1 ARG 35 -12.400 6.189 10.298 257 HG2 ARG 35 HG2 ARG 35 -11.566 4.057 9.241 258 HG3 ARG 35 HG1 ARG 35 -11.572 3.312 10.826 259 HD2 ARG 35 HD2 ARG 35 -14.021 4.045 10.983 260 HD3 ARG 35 HD1 ARG 35 -13.915 4.370 9.253 261 HE ARG 35 HE ARG 35 -12.953 1.782 9.505 262 HH11 ARG 35 HH11 ARG 35 -14.291 -0.032 9.375 263 HH12 ARG 35 HH12 ARG 35 -15.974 0.121 9.752 264 HH21 ARG 35 HH21 ARG 35 -15.778 3.508 10.464 265 HH22 ARG 35 HH22 ARG 35 -16.816 2.125 10.368 266 H ARG 36 HN ARG 36 -11.197 4.024 12.352 267 HA ARG 36 HA ARG 36 -9.267 3.857 14.359 268 HB2 ARG 36 HB2 ARG 36 -10.743 1.512 13.150 269 HB3 ARG 36 HB1 ARG 36 -10.086 1.617 14.779 270 HG2 ARG 36 HG2 ARG 36 -11.646 3.792 14.857 271 HG3 ARG 36 HG1 ARG 36 -12.539 2.903 13.632 272 HD2 ARG 36 HD2 ARG 36 -12.252 0.904 15.390 273 HD3 ARG 36 HD1 ARG 36 -12.126 2.240 16.531 274 HE ARG 36 HE ARG 36 -14.541 1.255 15.443 275 HH11 ARG 36 HH11 ARG 36 -16.402 2.472 15.155 276 HH12 ARG 36 HH12 ARG 36 -16.313 4.201 15.208 277 HH21 ARG 36 HH21 ARG 36 -12.910 4.279 15.814 278 HH22 ARG 36 HH22 ARG 36 -14.338 5.219 15.569 279 H SER 37 HN SER 37 -9.431 2.164 11.321 280 HA SER 37 HA SER 37 -7.577 0.283 11.185 281 HB2 SER 37 HB2 SER 37 -7.066 2.402 9.147 282 HB3 SER 37 HB1 SER 37 -7.369 0.683 8.930 283 HG SER 37 HG SER 37 -9.147 2.809 9.254 284 H ARG 38 HN ARG 38 -6.584 3.673 11.669 285 HA ARG 38 HA ARG 38 -3.780 3.316 11.302 286 HB2 ARG 38 HB2 ARG 38 -3.534 5.278 12.806 287 HB3 ARG 38 HB1 ARG 38 -4.795 5.538 11.600 288 HG2 ARG 38 HG2 ARG 38 -6.464 4.713 13.320 289 HG3 ARG 38 HG1 ARG 38 -5.164 4.775 14.507 290 HD2 ARG 38 HD2 ARG 38 -4.982 7.280 13.336 291 HD3 ARG 38 HD1 ARG 38 -6.719 6.997 13.318 292 HE ARG 38 HE ARG 38 -5.276 7.799 15.580 293 HH11 ARG 38 HH11 ARG 38 -5.860 7.347 17.699 294 HH12 ARG 38 HH12 ARG 38 -6.950 6.042 18.029 295 HH21 ARG 38 HH21 ARG 38 -7.334 5.162 14.707 296 HH22 ARG 38 HH22 ARG 38 -7.774 4.805 16.339 297 H GLY 39 HN GLY 39 -5.874 2.059 13.695 298 HA2 GLY 39 HA2 GLY 39 -3.788 1.697 15.730 299 HA3 GLY 39 HA1 GLY 39 -5.450 1.114 15.831 300 H ILE 40 HN ILE 40 -5.352 -0.163 13.176 301 HA ILE 40 HA ILE 40 -3.867 -2.603 13.992 302 HB ILE 40 HB ILE 40 -6.430 -2.364 13.370 303 HG12 ILE 40 HG12 ILE 40 -5.937 -4.522 13.986 304 HG13 ILE 40 HG11 ILE 40 -6.255 -4.801 12.294 305 HG21 ILE 40 HG21 ILE 40 -5.250 -2.941 10.645 306 HG22 ILE 40 HG22 ILE 40 -5.996 -1.422 11.135 307 HG23 ILE 40 HG23 ILE 40 -6.957 -2.892 11.073 308 HD11 ILE 40 HD11 ILE 40 -4.270 -5.981 12.633 309 HD12 ILE 40 HD12 ILE 40 -3.603 -4.791 13.734 310 HD13 ILE 40 HD13 ILE 40 -3.667 -4.462 12.006 311 H VAL 41 HN VAL 41 -4.429 -0.745 10.930 312 HA VAL 41 HA VAL 41 -2.360 -2.186 9.532 313 HB VAL 41 HB VAL 41 -3.294 0.592 8.796 314 HG11 VAL 41 HG11 VAL 41 -2.481 -1.820 7.141 315 HG12 VAL 41 HG12 VAL 41 -1.426 -0.458 7.518 316 HG13 VAL 41 HG13 VAL 41 -2.862 -0.212 6.524 317 HG21 VAL 41 HG21 VAL 41 -4.730 -2.056 8.555 318 HG22 VAL 41 HG22 VAL 41 -5.033 -0.750 7.409 319 HG23 VAL 41 HG23 VAL 41 -5.359 -0.510 9.121 320 H GLU 42 HN GLU 42 -2.342 1.268 10.478 321 HA GLU 42 HA GLU 42 0.405 1.662 9.996 322 HB2 GLU 42 HB2 GLU 42 -1.479 3.005 11.931 323 HB3 GLU 42 HB1 GLU 42 0.180 3.539 11.708 324 HG2 GLU 42 HG2 GLU 42 -1.634 4.726 10.320 325 HG3 GLU 42 HG1 GLU 42 -0.210 4.157 9.454 326 H GLN 43 HN GLN 43 -1.149 0.861 13.137 327 HA GLN 43 HA GLN 43 1.139 0.775 14.728 328 HB2 GLN 43 HB2 GLN 43 -1.196 0.353 15.525 329 HB3 GLN 43 HB1 GLN 43 -1.103 -1.260 14.818 330 HG2 GLN 43 HG2 GLN 43 0.507 -1.995 16.358 331 HG3 GLN 43 HG1 GLN 43 1.024 -0.358 16.758 332 HE21 GLN 43 HE21 GLN 43 0.618 -1.281 19.064 333 HE22 GLN 43 HE22 GLN 43 -0.954 -1.123 19.684 334 H CYS 44 HN CYS 44 -0.176 -1.999 12.865 335 HA CYS 44 HA CYS 44 2.165 -3.614 13.402 336 HB2 CYS 44 HB2 CYS 44 -0.148 -3.921 11.467 337 HB3 CYS 44 HB1 CYS 44 1.092 -5.143 11.715 338 H CYS 45 HN CYS 45 0.940 -2.052 10.439 339 HA CYS 45 HA CYS 45 3.192 -2.644 8.799 340 HB2 CYS 45 HB2 CYS 45 1.030 -1.803 7.933 341 HB3 CYS 45 HB1 CYS 45 1.342 -0.246 8.693 342 H ARG 46 HN ARG 46 2.487 0.377 10.613 343 HA ARG 46 HA ARG 46 5.041 1.531 9.978 344 HB2 ARG 46 HB2 ARG 46 2.875 2.699 10.791 345 HB3 ARG 46 HB1 ARG 46 3.393 2.252 12.410 346 HG2 ARG 46 HG2 ARG 46 5.426 3.626 10.674 347 HG3 ARG 46 HG1 ARG 46 4.096 4.599 11.265 348 HD2 ARG 46 HD2 ARG 46 5.992 2.964 12.961 349 HD3 ARG 46 HD1 ARG 46 5.995 4.714 12.821 350 HE ARG 46 HE ARG 46 4.368 3.119 14.584 351 HH11 ARG 46 HH11 ARG 46 2.479 3.871 15.520 352 HH12 ARG 46 HH12 ARG 46 1.745 5.321 14.923 353 HH21 ARG 46 HH21 ARG 46 4.159 5.871 12.505 354 HH22 ARG 46 HH22 ARG 46 2.691 6.447 13.220 355 H SER 47 HN SER 47 3.895 -0.468 12.679 356 HA SER 47 HA SER 47 6.749 -0.711 13.585 357 HB2 SER 47 HB2 SER 47 4.333 -0.373 15.389 358 HB3 SER 47 HB1 SER 47 5.982 -0.674 15.929 359 HG SER 47 HG SER 47 6.039 1.363 14.241 360 H ILE 48 HN ILE 48 7.285 -2.795 14.348 361 HA ILE 48 HA ILE 48 5.662 -4.950 13.333 362 HB ILE 48 HB ILE 48 7.855 -5.227 15.397 363 HG12 ILE 48 HG12 ILE 48 8.118 -4.895 12.390 364 HG13 ILE 48 HG11 ILE 48 8.656 -3.734 13.605 365 HG21 ILE 48 HG21 ILE 48 8.177 -7.387 14.387 366 HG22 ILE 48 HG22 ILE 48 7.092 -6.989 13.054 367 HG23 ILE 48 HG23 ILE 48 6.447 -7.211 14.680 368 HD11 ILE 48 HD11 ILE 48 10.586 -5.018 12.964 369 HD12 ILE 48 HD12 ILE 48 9.708 -6.536 13.151 370 HD13 ILE 48 HD13 ILE 48 10.111 -5.569 14.571 371 H CYS 49 HN CYS 49 3.640 -5.076 14.293 372 HA CYS 49 HA CYS 49 3.362 -4.921 17.216 373 HB2 CYS 49 HB2 CYS 49 0.984 -5.181 16.803 374 HB3 CYS 49 HB1 CYS 49 1.624 -4.021 15.643 375 H SER 50 HN SER 50 3.101 -6.679 18.574 376 HA SER 50 HA SER 50 4.015 -9.252 17.652 377 HB2 SER 50 HB2 SER 50 2.539 -8.730 20.235 378 HB3 SER 50 HB1 SER 50 3.735 -9.978 19.906 379 HG SER 50 HG SER 50 5.171 -8.580 20.508 380 H LEU 51 HN LEU 51 2.766 -11.274 17.813 381 HA LEU 51 HA LEU 51 0.370 -11.269 16.326 382 HB2 LEU 51 HB2 LEU 51 1.113 -13.340 18.411 383 HB3 LEU 51 HB1 LEU 51 0.122 -13.581 16.972 384 HG LEU 51 HG LEU 51 3.062 -12.832 16.974 385 HD11 LEU 51 HD11 LEU 51 2.477 -15.185 17.697 386 HD12 LEU 51 HD12 LEU 51 3.468 -15.090 16.241 387 HD13 LEU 51 HD13 LEU 51 1.740 -15.416 16.111 388 HD21 LEU 51 HD21 LEU 51 1.002 -13.234 14.799 389 HD22 LEU 51 HD22 LEU 51 2.716 -13.504 14.479 390 HD23 LEU 51 HD23 LEU 51 2.158 -11.915 14.992 391 H TYR 52 HN TYR 52 0.893 -10.971 19.797 392 HA TYR 52 HA TYR 52 -1.676 -11.458 20.790 393 HB2 TYR 52 HB2 TYR 52 0.527 -10.645 21.989 394 HB3 TYR 52 HB1 TYR 52 -0.144 -9.038 21.745 395 HD1 TYR 52 HD1 TYR 52 -2.464 -8.542 22.614 396 HD2 TYR 52 HD2 TYR 52 -0.295 -12.075 23.711 397 HE1 TYR 52 HE1 TYR 52 -3.962 -8.849 24.569 398 HE2 TYR 52 HE2 TYR 52 -1.788 -12.388 25.667 399 HH TYR 52 HH TYR 52 -4.433 -11.503 26.118 400 H GLN 53 HN GLN 53 -0.428 -8.384 19.454 401 HA GLN 53 HA GLN 53 -2.903 -6.953 19.654 402 HB2 GLN 53 HB2 GLN 53 -0.629 -6.615 17.677 403 HB3 GLN 53 HB1 GLN 53 -1.909 -5.437 17.964 404 HG2 GLN 53 HG2 GLN 53 -1.182 -5.498 20.431 405 HG3 GLN 53 HG1 GLN 53 0.266 -6.331 19.861 406 HE21 GLN 53 HE21 GLN 53 1.832 -4.661 20.066 407 HE22 GLN 53 HE22 GLN 53 1.713 -3.162 19.277 408 H LEU 54 HN LEU 54 -1.403 -8.626 16.863 409 HA LEU 54 HA LEU 54 -3.520 -8.264 15.052 410 HB2 LEU 54 HB2 LEU 54 -1.687 -10.625 15.336 411 HB3 LEU 54 HB1 LEU 54 -2.683 -10.297 13.923 412 HG LEU 54 HG LEU 54 -0.580 -8.433 15.034 413 HD11 LEU 54 HD11 LEU 54 -0.468 -9.989 12.439 414 HD12 LEU 54 HD12 LEU 54 0.197 -10.632 13.942 415 HD13 LEU 54 HD13 LEU 54 0.845 -9.144 13.259 416 HD21 LEU 54 HD21 LEU 54 -0.987 -7.497 12.575 417 HD22 LEU 54 HD22 LEU 54 -2.022 -6.999 13.905 418 HD23 LEU 54 HD23 LEU 54 -2.568 -8.248 12.786 419 H GLU 55 HN GLU 55 -3.079 -10.565 17.616 420 HA GLU 55 HA GLU 55 -5.405 -12.159 16.987 421 HB2 GLU 55 HB2 GLU 55 -3.346 -12.791 18.440 422 HB3 GLU 55 HB1 GLU 55 -4.203 -11.949 19.728 423 HG2 GLU 55 HG2 GLU 55 -6.217 -13.417 19.163 424 HG3 GLU 55 HG1 GLU 55 -5.112 -14.383 18.185 425 H ASN 56 HN ASN 56 -5.019 -9.070 18.217 426 HA ASN 56 HA ASN 56 -7.252 -9.097 20.100 427 HB2 ASN 56 HB2 ASN 56 -5.182 -7.536 20.069 428 HB3 ASN 56 HB1 ASN 56 -6.057 -6.631 18.835 429 HD21 ASN 56 HD21 ASN 56 -5.386 -6.062 21.817 430 HD22 ASN 56 HD22 ASN 56 -6.877 -5.593 22.474 431 H TYR 57 HN TYR 57 -6.917 -8.614 16.673 432 HA TYR 57 HA TYR 57 -9.605 -7.344 16.489 433 HB2 TYR 57 HB2 TYR 57 -7.743 -7.916 14.190 434 HB3 TYR 57 HB1 TYR 57 -8.960 -6.654 14.329 435 HD1 TYR 57 HD1 TYR 57 -8.583 -4.732 15.947 436 HD2 TYR 57 HD2 TYR 57 -5.574 -7.621 15.040 437 HE1 TYR 57 HE1 TYR 57 -6.863 -3.213 16.868 438 HE2 TYR 57 HE2 TYR 57 -3.830 -6.117 15.970 439 HH TYR 57 HH TYR 57 -3.409 -4.102 16.812 440 H CYS 58 HN CYS 58 -8.269 -10.430 16.423 441 HA CYS 58 HA CYS 58 -9.683 -11.653 14.284 442 HB2 CYS 58 HB2 CYS 58 -8.836 -12.821 16.946 443 HB3 CYS 58 HB1 CYS 58 -9.349 -13.756 15.546 444 H GLY 59 HN GLY 59 -11.808 -11.022 14.140 445 HA2 GLY 59 HA2 GLY 59 -13.778 -12.409 15.621 446 HA3 GLY 59 HA1 GLY 59 -13.612 -10.815 16.360 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 3.003 -15.912 12.031 2 H2 PHE 1 HT2 PHE 1 3.932 -17.319 12.242 3 H3 PHE 1 HT3 PHE 1 2.878 -17.183 10.916 4 HA PHE 1 HA PHE 1 5.112 -16.839 10.164 5 HB2 PHE 1 HB2 PHE 1 4.807 -14.306 9.495 6 HB3 PHE 1 HB1 PHE 1 3.680 -15.513 8.879 7 HD1 PHE 1 HD1 PHE 1 1.561 -15.986 10.340 8 HD2 PHE 1 HD2 PHE 1 3.972 -12.447 10.666 9 HE1 PHE 1 HE1 PHE 1 -0.328 -14.802 11.419 10 HE2 PHE 1 HE2 PHE 1 2.079 -11.251 11.740 11 HZ PHE 1 HZ PHE 1 -0.077 -12.441 12.122 12 H VAL 2 HN VAL 2 7.158 -15.941 10.504 13 HA VAL 2 HA VAL 2 7.972 -15.389 13.146 14 HB VAL 2 HB VAL 2 9.998 -14.273 11.947 15 HG11 VAL 2 HG11 VAL 2 9.967 -16.607 12.752 16 HG12 VAL 2 HG12 VAL 2 10.829 -16.471 11.220 17 HG13 VAL 2 HG13 VAL 2 9.186 -17.111 11.254 18 HG21 VAL 2 HG21 VAL 2 8.663 -15.532 9.541 19 HG22 VAL 2 HG22 VAL 2 10.119 -14.538 9.576 20 HG23 VAL 2 HG23 VAL 2 8.545 -13.807 9.890 21 H ASN 3 HN ASN 3 9.403 -13.083 13.244 22 HA ASN 3 HA ASN 3 7.271 -11.058 13.505 23 HB2 ASN 3 HB2 ASN 3 10.210 -10.717 14.141 24 HB3 ASN 3 HB1 ASN 3 8.846 -9.817 14.804 25 HD21 ASN 3 HD21 ASN 3 8.994 -10.422 17.014 26 HD22 ASN 3 HD22 ASN 3 8.894 -12.028 17.554 27 H GLN 4 HN GLN 4 6.988 -9.394 12.074 28 HA GLN 4 HA GLN 4 9.131 -8.257 10.519 29 HB2 GLN 4 HB2 GLN 4 8.067 -8.990 8.269 30 HB3 GLN 4 HB1 GLN 4 9.081 -10.158 9.116 31 HG2 GLN 4 HG2 GLN 4 7.092 -11.220 10.085 32 HG3 GLN 4 HG1 GLN 4 6.056 -10.027 9.300 33 HE21 GLN 4 HE21 GLN 4 6.923 -13.155 8.944 34 HE22 GLN 4 HE22 GLN 4 6.914 -13.291 7.252 35 H HIS 5 HN HIS 5 8.245 -6.607 8.957 36 HA HIS 5 HA HIS 5 5.967 -5.253 10.185 37 HB2 HIS 5 HB2 HIS 5 6.495 -3.717 8.004 38 HB3 HIS 5 HB1 HIS 5 7.431 -3.610 9.486 39 HD2 HIS 5 HD2 HIS 5 9.817 -5.451 9.388 40 HE1 HIS 5 HE1 HIS 5 10.107 -4.951 5.210 41 HE2 HIS 5 HE2 HIS 5 11.330 -5.739 7.292 42 H LEU 6 HN LEU 6 3.902 -5.456 9.557 43 HA LEU 6 HA LEU 6 3.276 -6.961 7.053 44 HB2 LEU 6 HB2 LEU 6 1.976 -6.519 9.697 45 HB3 LEU 6 HB1 LEU 6 0.893 -6.635 8.324 46 HG LEU 6 HG LEU 6 1.630 -8.844 7.798 47 HD11 LEU 6 HD11 LEU 6 3.945 -8.942 7.971 48 HD12 LEU 6 HD12 LEU 6 3.497 -9.818 9.428 49 HD13 LEU 6 HD13 LEU 6 3.971 -8.122 9.531 50 HD21 LEU 6 HD21 LEU 6 1.298 -10.038 9.961 51 HD22 LEU 6 HD22 LEU 6 0.102 -8.779 9.695 52 HD23 LEU 6 HD23 LEU 6 1.442 -8.503 10.796 53 H CYS 7 HN CYS 7 2.805 -5.684 5.300 54 HA CYS 7 HA CYS 7 1.221 -3.185 5.768 55 HB2 CYS 7 HB2 CYS 7 3.485 -3.546 3.792 56 HB3 CYS 7 HB1 CYS 7 2.515 -2.088 4.007 57 H GLY 8 HN GLY 8 -0.629 -3.195 4.706 58 HA2 GLY 8 HA2 GLY 8 -2.269 -3.675 3.126 59 HA3 GLY 8 HA1 GLY 8 -0.959 -3.935 1.975 60 H SER 9 HN SER 9 -1.569 -5.822 1.006 61 HA SER 9 HA SER 9 -3.019 -7.963 1.939 62 HB2 SER 9 HB2 SER 9 -0.506 -8.368 0.312 63 HB3 SER 9 HB1 SER 9 -1.989 -9.317 0.266 64 HG SER 9 HG SER 9 -2.331 -7.983 -1.366 65 H HIS 10 HN HIS 10 0.386 -7.302 2.677 66 HA HIS 10 HA HIS 10 1.018 -9.801 3.853 67 HB2 HIS 10 HB2 HIS 10 2.464 -7.608 3.398 68 HB3 HIS 10 HB1 HIS 10 2.056 -7.263 5.073 69 HD2 HIS 10 HD2 HIS 10 2.354 -10.410 6.207 70 HE1 HIS 10 HE1 HIS 10 6.305 -10.089 4.749 71 HE2 HIS 10 HE2 HIS 10 4.755 -11.402 6.280 72 H LEU 11 HN LEU 11 -0.696 -6.988 5.109 73 HA LEU 11 HA LEU 11 -0.846 -7.974 7.807 74 HB2 LEU 11 HB2 LEU 11 -1.124 -5.558 7.207 75 HB3 LEU 11 HB1 LEU 11 -2.618 -5.966 6.384 76 HG LEU 11 HG LEU 11 -3.720 -6.476 8.389 77 HD11 LEU 11 HD11 LEU 11 -0.984 -6.613 9.651 78 HD12 LEU 11 HD12 LEU 11 -2.247 -7.843 9.645 79 HD13 LEU 11 HD13 LEU 11 -2.423 -6.396 10.634 80 HD21 LEU 11 HD21 LEU 11 -2.143 -4.268 9.597 81 HD22 LEU 11 HD22 LEU 11 -3.871 -4.388 9.273 82 HD23 LEU 11 HD23 LEU 11 -2.767 -3.961 7.974 83 H VAL 12 HN VAL 12 -3.215 -7.855 5.156 84 HA VAL 12 HA VAL 12 -5.229 -9.361 6.487 85 HB VAL 12 HB VAL 12 -4.509 -9.150 3.546 86 HG11 VAL 12 HG11 VAL 12 -6.264 -11.083 4.664 87 HG12 VAL 12 HG12 VAL 12 -6.191 -10.589 2.983 88 HG13 VAL 12 HG13 VAL 12 -7.324 -9.807 4.076 89 HG21 VAL 12 HG21 VAL 12 -6.247 -7.473 3.472 90 HG22 VAL 12 HG22 VAL 12 -5.156 -7.074 4.799 91 HG23 VAL 12 HG23 VAL 12 -6.718 -7.821 5.135 92 H GLU 13 HN GLU 13 -2.853 -10.470 4.074 93 HA GLU 13 HA GLU 13 -3.264 -13.200 4.192 94 HB2 GLU 13 HB2 GLU 13 -0.618 -11.728 4.063 95 HB3 GLU 13 HB1 GLU 13 -0.808 -13.450 3.726 96 HG2 GLU 13 HG2 GLU 13 -2.158 -13.051 1.823 97 HG3 GLU 13 HG1 GLU 13 -2.475 -11.383 2.298 98 H ALA 14 HN ALA 14 -1.799 -11.177 6.671 99 HA ALA 14 HA ALA 14 -0.896 -13.533 8.214 100 HB1 ALA 14 HB1 ALA 14 -0.704 -10.554 8.451 101 HB2 ALA 14 HB2 ALA 14 0.567 -11.766 8.584 102 HB3 ALA 14 HB3 ALA 14 -0.542 -11.500 9.930 103 H LEU 15 HN LEU 15 -3.107 -10.783 8.941 104 HA LEU 15 HA LEU 15 -4.319 -11.786 11.227 105 HB2 LEU 15 HB2 LEU 15 -5.495 -10.227 8.929 106 HB3 LEU 15 HB1 LEU 15 -6.454 -10.625 10.347 107 HG LEU 15 HG LEU 15 -3.762 -9.338 10.750 108 HD11 LEU 15 HD11 LEU 15 -6.248 -7.668 10.363 109 HD12 LEU 15 HD12 LEU 15 -5.178 -8.019 9.015 110 HD13 LEU 15 HD13 LEU 15 -4.573 -7.147 10.418 111 HD21 LEU 15 HD21 LEU 15 -6.426 -9.140 12.201 112 HD22 LEU 15 HD22 LEU 15 -4.910 -8.421 12.729 113 HD23 LEU 15 HD23 LEU 15 -5.082 -10.171 12.687 114 H TYR 16 HN TYR 16 -4.972 -12.698 7.877 115 HA TYR 16 HA TYR 16 -7.318 -14.197 8.220 116 HB2 TYR 16 HB2 TYR 16 -6.680 -14.020 5.994 117 HB3 TYR 16 HB1 TYR 16 -4.984 -14.283 6.355 118 HD1 TYR 16 HD1 TYR 16 -4.198 -16.185 5.239 119 HD2 TYR 16 HD2 TYR 16 -8.098 -16.273 7.040 120 HE1 TYR 16 HE1 TYR 16 -4.426 -18.570 4.623 121 HE2 TYR 16 HE2 TYR 16 -8.331 -18.662 6.414 122 HH TYR 16 HH TYR 16 -6.295 -20.631 5.896 123 H LEU 17 HN LEU 17 -3.945 -15.151 8.838 124 HA LEU 17 HA LEU 17 -4.680 -17.849 9.673 125 HB2 LEU 17 HB2 LEU 17 -2.134 -16.224 9.957 126 HB3 LEU 17 HB1 LEU 17 -2.298 -17.874 10.543 127 HG LEU 17 HG LEU 17 -3.097 -18.388 8.077 128 HD11 LEU 17 HD11 LEU 17 -1.483 -15.844 7.746 129 HD12 LEU 17 HD12 LEU 17 -3.183 -16.048 7.329 130 HD13 LEU 17 HD13 LEU 17 -1.947 -16.922 6.432 131 HD21 LEU 17 HD21 LEU 17 -1.034 -19.278 9.086 132 HD22 LEU 17 HD22 LEU 17 -0.206 -17.757 8.754 133 HD23 LEU 17 HD23 LEU 17 -0.739 -18.780 7.420 134 H VAL 18 HN VAL 18 -3.536 -14.924 11.335 135 HA VAL 18 HA VAL 18 -3.642 -15.806 13.991 136 HB VAL 18 HB VAL 18 -4.621 -13.101 13.054 137 HG11 VAL 18 HG11 VAL 18 -3.085 -13.878 15.530 138 HG12 VAL 18 HG12 VAL 18 -4.840 -13.710 15.474 139 HG13 VAL 18 HG13 VAL 18 -3.809 -12.311 15.168 140 HG21 VAL 18 HG21 VAL 18 -2.539 -13.432 11.912 141 HG22 VAL 18 HG22 VAL 18 -1.810 -14.193 13.326 142 HG23 VAL 18 HG23 VAL 18 -2.157 -12.464 13.336 143 H CYS 19 HN CYS 19 -6.278 -14.224 12.182 144 HA CYS 19 HA CYS 19 -8.261 -14.856 14.220 145 HB2 CYS 19 HB2 CYS 19 -8.812 -13.982 11.379 146 HB3 CYS 19 HB1 CYS 19 -9.762 -13.651 12.831 147 H GLY 20 HN GLY 20 -7.032 -16.425 11.363 148 HA2 GLY 20 HA2 GLY 20 -7.683 -18.417 10.297 149 HA3 GLY 20 HA1 GLY 20 -8.301 -18.894 11.882 150 H GLU 21 HN GLU 21 -10.462 -19.281 11.922 151 HA GLU 21 HA GLU 21 -12.141 -18.350 9.692 152 HB2 GLU 21 HB2 GLU 21 -13.034 -19.871 12.152 153 HB3 GLU 21 HB1 GLU 21 -13.832 -19.796 10.581 154 HG2 GLU 21 HG2 GLU 21 -12.722 -21.888 10.566 155 HG3 GLU 21 HG1 GLU 21 -11.664 -20.830 9.633 156 H ARG 22 HN ARG 22 -11.427 -17.395 12.948 157 HA ARG 22 HA ARG 22 -13.805 -16.064 13.675 158 HB2 ARG 22 HB2 ARG 22 -10.970 -15.127 14.194 159 HB3 ARG 22 HB1 ARG 22 -12.403 -14.659 15.108 160 HG2 ARG 22 HG2 ARG 22 -11.439 -17.515 14.814 161 HG3 ARG 22 HG1 ARG 22 -11.058 -16.491 16.197 162 HD2 ARG 22 HD2 ARG 22 -12.944 -17.601 16.994 163 HD3 ARG 22 HD1 ARG 22 -13.706 -16.185 16.272 164 HE ARG 22 HE ARG 22 -13.628 -18.021 14.199 165 HH11 ARG 22 HH11 ARG 22 -15.305 -19.487 13.812 166 HH12 ARG 22 HH12 ARG 22 -16.347 -19.954 15.114 167 HH21 ARG 22 HH21 ARG 22 -14.739 -17.974 17.463 168 HH22 ARG 22 HH22 ARG 22 -16.027 -19.097 17.181 169 H GLY 23 HN GLY 23 -11.173 -15.019 11.547 170 HA2 GLY 23 HA2 GLY 23 -11.235 -13.397 9.837 171 HA3 GLY 23 HA1 GLY 23 -12.951 -13.178 10.172 172 H PHE 24 HN PHE 24 -11.252 -11.017 9.643 173 HA PHE 24 HA PHE 24 -11.416 -9.514 12.222 174 HB2 PHE 24 HB2 PHE 24 -9.268 -8.374 11.648 175 HB3 PHE 24 HB1 PHE 24 -9.061 -10.086 11.970 176 HD1 PHE 24 HD1 PHE 24 -9.181 -11.706 9.924 177 HD2 PHE 24 HD2 PHE 24 -8.478 -7.473 9.633 178 HE1 PHE 24 HE1 PHE 24 -8.219 -12.027 7.659 179 HE2 PHE 24 HE2 PHE 24 -7.510 -7.796 7.358 180 HZ PHE 24 HZ PHE 24 -7.404 -10.074 6.385 181 H PHE 25 HN PHE 25 -11.177 -7.059 11.631 182 HA PHE 25 HA PHE 25 -12.691 -6.559 9.094 183 HB2 PHE 25 HB2 PHE 25 -13.711 -4.729 10.189 184 HB3 PHE 25 HB1 PHE 25 -13.665 -5.993 11.421 185 HD1 PHE 25 HD1 PHE 25 -12.536 -2.709 10.483 186 HD2 PHE 25 HD2 PHE 25 -11.801 -5.982 13.136 187 HE1 PHE 25 HE1 PHE 25 -11.188 -1.212 11.935 188 HE2 PHE 25 HE2 PHE 25 -10.451 -4.501 14.589 189 HZ PHE 25 HZ PHE 25 -10.144 -2.117 13.995 190 H TYR 26 HN TYR 26 -11.507 -5.556 7.515 191 HA TYR 26 HA TYR 26 -8.888 -4.388 8.244 192 HB2 TYR 26 HB2 TYR 26 -9.389 -5.954 6.200 193 HB3 TYR 26 HB1 TYR 26 -9.988 -4.485 5.434 194 HD1 TYR 26 HD1 TYR 26 -7.041 -5.502 7.544 195 HD2 TYR 26 HD2 TYR 26 -8.426 -3.348 4.101 196 HE1 TYR 26 HE1 TYR 26 -4.718 -4.847 7.033 197 HE2 TYR 26 HE2 TYR 26 -6.086 -2.677 3.595 198 HH TYR 26 HH TYR 26 -3.834 -2.441 5.277 199 H THR 27 HN THR 27 -8.264 -2.284 7.330 200 HA THR 27 HA THR 27 -9.702 -0.127 8.196 201 HB THR 27 HB THR 27 -7.375 -0.182 7.127 202 HG1 THR 27 HG1 THR 27 -7.594 1.972 6.355 203 HG21 THR 27 HG21 THR 27 -8.805 0.459 4.558 204 HG22 THR 27 HG22 THR 27 -8.432 -1.210 4.972 205 HG23 THR 27 HG23 THR 27 -7.130 -0.037 4.797 206 HA PRO 28 HA PRO 28 -13.432 0.226 5.793 207 HB2 PRO 28 HB2 PRO 28 -12.937 3.082 5.259 208 HB3 PRO 28 HB1 PRO 28 -14.227 2.336 6.216 209 HG2 PRO 28 HG2 PRO 28 -11.905 3.687 7.220 210 HG3 PRO 28 HG1 PRO 28 -13.123 2.819 8.167 211 HD2 PRO 28 HD2 PRO 28 -10.402 2.021 7.706 212 HD3 PRO 28 HD1 PRO 28 -11.657 1.102 8.555 213 H ARG 29 HN ARG 29 -13.679 -0.282 3.731 214 HA ARG 29 HA ARG 29 -11.511 -0.244 1.860 215 HB2 ARG 29 HB2 ARG 29 -13.696 -0.809 0.309 216 HB3 ARG 29 HB1 ARG 29 -12.882 -2.004 1.308 217 HG2 ARG 29 HG2 ARG 29 -15.043 -0.322 2.566 218 HG3 ARG 29 HG1 ARG 29 -15.513 -1.625 1.501 219 HD2 ARG 29 HD2 ARG 29 -13.835 -1.886 4.030 220 HD3 ARG 29 HD1 ARG 29 -15.477 -2.470 3.789 221 HE ARG 29 HE ARG 29 -13.045 -3.846 3.111 222 HH11 ARG 29 HH11 ARG 29 -12.953 -5.518 1.626 223 HH12 ARG 29 HH12 ARG 29 -14.294 -5.798 0.566 224 HH21 ARG 29 HH21 ARG 29 -16.197 -3.207 1.844 225 HH22 ARG 29 HH22 ARG 29 -16.120 -4.489 0.685 226 H THR 30 HN THR 30 -12.744 2.365 2.932 227 HA THR 30 HA THR 30 -13.376 3.693 0.336 228 HB THR 30 HB THR 30 -14.375 5.451 1.621 229 HG1 THR 30 HG1 THR 30 -14.226 4.984 4.060 230 HG21 THR 30 HG21 THR 30 -16.085 4.271 2.865 231 HG22 THR 30 HG22 THR 30 -15.037 2.865 3.051 232 HG23 THR 30 HG23 THR 30 -15.656 3.299 1.457 233 H GLU 31 HN GLU 31 -10.954 3.299 2.727 234 HA GLU 31 HA GLU 31 -8.889 4.359 3.075 235 HB2 GLU 31 HB2 GLU 31 -9.241 4.984 0.128 236 HB3 GLU 31 HB1 GLU 31 -7.716 4.987 1.015 237 HG2 GLU 31 HG2 GLU 31 -8.169 2.563 1.601 238 HG3 GLU 31 HG1 GLU 31 -9.511 2.614 0.457 239 H GLU 32 HN GLU 32 -11.536 6.011 3.060 240 HA GLU 32 HA GLU 32 -10.673 8.682 2.306 241 HB2 GLU 32 HB2 GLU 32 -13.018 7.636 3.902 242 HB3 GLU 32 HB1 GLU 32 -12.752 9.358 3.623 243 HG2 GLU 32 HG2 GLU 32 -12.897 7.322 1.386 244 HG3 GLU 32 HG1 GLU 32 -14.294 8.238 1.950 245 H GLY 33 HN GLY 33 -10.971 6.899 5.350 246 HA2 GLY 33 HA2 GLY 33 -8.850 7.630 6.787 247 HA3 GLY 33 HA1 GLY 33 -9.730 9.157 6.833 248 H SER 34 HN SER 34 -9.091 7.300 9.047 249 HA SER 34 HA SER 34 -11.745 7.272 10.268 250 HB2 SER 34 HB2 SER 34 -11.793 5.150 9.040 251 HB3 SER 34 HB1 SER 34 -10.258 4.679 9.763 252 HG SER 34 HG SER 34 -11.566 3.830 11.201 253 H ARG 35 HN ARG 35 -10.510 5.012 12.035 254 HA ARG 35 HA ARG 35 -8.405 6.594 13.431 255 HB2 ARG 35 HB2 ARG 35 -9.731 5.817 15.604 256 HB3 ARG 35 HB1 ARG 35 -10.178 7.305 14.772 257 HG2 ARG 35 HG2 ARG 35 -11.931 6.068 13.527 258 HG3 ARG 35 HG1 ARG 35 -11.486 4.596 14.387 259 HD2 ARG 35 HD2 ARG 35 -13.425 5.665 15.446 260 HD3 ARG 35 HD1 ARG 35 -12.033 5.684 16.528 261 HE ARG 35 HE ARG 35 -11.865 8.109 15.203 262 HH11 ARG 35 HH11 ARG 35 -12.857 9.988 15.972 263 HH12 ARG 35 HH12 ARG 35 -14.242 9.859 17.005 264 HH21 ARG 35 HH21 ARG 35 -14.274 6.392 16.971 265 HH22 ARG 35 HH22 ARG 35 -15.044 7.823 17.570 266 H ARG 36 HN ARG 36 -10.317 3.589 13.556 267 HA ARG 36 HA ARG 36 -8.414 2.030 14.964 268 HB2 ARG 36 HB2 ARG 36 -10.206 0.935 12.792 269 HB3 ARG 36 HB1 ARG 36 -9.669 0.148 14.267 270 HG2 ARG 36 HG2 ARG 36 -10.933 2.227 15.405 271 HG3 ARG 36 HG1 ARG 36 -11.793 2.236 13.880 272 HD2 ARG 36 HD2 ARG 36 -13.131 0.577 14.645 273 HD3 ARG 36 HD1 ARG 36 -11.753 -0.501 14.756 274 HE ARG 36 HE ARG 36 -13.200 0.487 16.953 275 HH11 ARG 36 HH11 ARG 36 -12.382 0.668 19.029 276 HH12 ARG 36 HH12 ARG 36 -10.669 0.755 19.272 277 HH21 ARG 36 HH21 ARG 36 -9.903 0.552 15.910 278 HH22 ARG 36 HH22 ARG 36 -9.273 0.689 17.512 279 H SER 37 HN SER 37 -8.972 2.360 11.516 280 HA SER 37 HA SER 37 -7.206 0.670 10.322 281 HB2 SER 37 HB2 SER 37 -8.482 2.236 9.010 282 HB3 SER 37 HB1 SER 37 -7.577 3.597 9.661 283 HG SER 37 HG SER 37 -5.784 1.958 8.740 284 H ARG 38 HN ARG 38 -6.044 3.987 11.141 285 HA ARG 38 HA ARG 38 -3.308 3.327 10.760 286 HB2 ARG 38 HB2 ARG 38 -2.799 5.354 12.076 287 HB3 ARG 38 HB1 ARG 38 -4.090 5.659 10.916 288 HG2 ARG 38 HG2 ARG 38 -5.766 5.325 12.690 289 HG3 ARG 38 HG1 ARG 38 -4.480 5.031 13.857 290 HD2 ARG 38 HD2 ARG 38 -3.761 7.476 12.685 291 HD3 ARG 38 HD1 ARG 38 -5.509 7.593 12.837 292 HE ARG 38 HE ARG 38 -3.712 7.972 14.951 293 HH11 ARG 38 HH11 ARG 38 -4.206 7.642 17.113 294 HH12 ARG 38 HH12 ARG 38 -5.525 6.605 17.543 295 HH21 ARG 38 HH21 ARG 38 -6.358 5.850 14.271 296 HH22 ARG 38 HH22 ARG 38 -6.737 5.593 15.939 297 H GLY 39 HN GLY 39 -5.454 2.419 13.246 298 HA2 GLY 39 HA2 GLY 39 -3.372 1.997 15.275 299 HA3 GLY 39 HA1 GLY 39 -5.063 1.507 15.404 300 H ILE 40 HN ILE 40 -4.975 0.188 12.735 301 HA ILE 40 HA ILE 40 -3.665 -2.329 13.622 302 HB ILE 40 HB ILE 40 -6.191 -1.976 12.934 303 HG12 ILE 40 HG12 ILE 40 -5.796 -4.163 13.542 304 HG13 ILE 40 HG11 ILE 40 -6.116 -4.405 11.844 305 HG21 ILE 40 HG21 ILE 40 -5.646 -1.030 10.718 306 HG22 ILE 40 HG22 ILE 40 -6.689 -2.442 10.620 307 HG23 ILE 40 HG23 ILE 40 -4.979 -2.586 10.235 308 HD11 ILE 40 HD11 ILE 40 -4.190 -5.692 12.214 309 HD12 ILE 40 HD12 ILE 40 -3.458 -4.509 13.283 310 HD13 ILE 40 HD13 ILE 40 -3.529 -4.212 11.549 311 H VAL 41 HN VAL 41 -4.011 -0.391 10.586 312 HA VAL 41 HA VAL 41 -2.030 -1.962 9.202 313 HB VAL 41 HB VAL 41 -2.640 0.902 8.467 314 HG11 VAL 41 HG11 VAL 41 -2.388 0.023 6.197 315 HG12 VAL 41 HG12 VAL 41 -2.237 -1.619 6.823 316 HG13 VAL 41 HG13 VAL 41 -0.980 -0.429 7.160 317 HG21 VAL 41 HG21 VAL 41 -4.833 0.096 8.878 318 HG22 VAL 41 HG22 VAL 41 -4.451 -1.508 8.255 319 HG23 VAL 41 HG23 VAL 41 -4.595 -0.144 7.150 320 H GLU 42 HN GLU 42 -1.724 1.481 10.213 321 HA GLU 42 HA GLU 42 1.074 1.574 9.814 322 HB2 GLU 42 HB2 GLU 42 -0.739 3.162 11.629 323 HB3 GLU 42 HB1 GLU 42 0.986 3.495 11.511 324 HG2 GLU 42 HG2 GLU 42 -0.831 3.367 9.094 325 HG3 GLU 42 HG1 GLU 42 -0.493 4.866 9.959 326 H GLN 43 HN GLN 43 -0.697 0.863 12.853 327 HA GLN 43 HA GLN 43 1.483 0.586 14.579 328 HB2 GLN 43 HB2 GLN 43 -0.911 0.306 15.219 329 HB3 GLN 43 HB1 GLN 43 -0.884 -1.293 14.474 330 HG2 GLN 43 HG2 GLN 43 -0.486 -1.535 16.851 331 HG3 GLN 43 HG1 GLN 43 1.006 -1.912 16.005 332 HE21 GLN 43 HE21 GLN 43 2.438 -1.259 17.718 333 HE22 GLN 43 HE22 GLN 43 2.570 0.353 18.232 334 H CYS 44 HN CYS 44 0.109 -2.021 12.535 335 HA CYS 44 HA CYS 44 2.355 -3.773 13.108 336 HB2 CYS 44 HB2 CYS 44 0.024 -3.942 11.179 337 HB3 CYS 44 HB1 CYS 44 1.225 -5.214 11.366 338 H CYS 45 HN CYS 45 1.229 -2.140 10.133 339 HA CYS 45 HA CYS 45 3.484 -2.809 8.529 340 HB2 CYS 45 HB2 CYS 45 1.370 -1.859 7.633 341 HB3 CYS 45 HB1 CYS 45 1.750 -0.326 8.410 342 H ARG 46 HN ARG 46 2.861 0.211 10.359 343 HA ARG 46 HA ARG 46 5.464 1.289 9.795 344 HB2 ARG 46 HB2 ARG 46 3.226 2.421 10.676 345 HB3 ARG 46 HB1 ARG 46 3.936 2.105 12.256 346 HG2 ARG 46 HG2 ARG 46 5.352 3.578 10.012 347 HG3 ARG 46 HG1 ARG 46 4.493 4.369 11.323 348 HD2 ARG 46 HD2 ARG 46 6.130 2.684 12.744 349 HD3 ARG 46 HD1 ARG 46 7.150 3.042 11.355 350 HE ARG 46 HE ARG 46 6.744 4.773 13.533 351 HH11 ARG 46 HH11 ARG 46 6.871 7.011 13.430 352 HH12 ARG 46 HH12 ARG 46 6.766 7.806 11.895 353 HH21 ARG 46 HH21 ARG 46 6.431 4.872 10.095 354 HH22 ARG 46 HH22 ARG 46 6.510 6.595 10.013 355 H SER 47 HN SER 47 4.222 -0.751 12.415 356 HA SER 47 HA SER 47 7.045 -1.062 13.381 357 HB2 SER 47 HB2 SER 47 4.665 -0.880 15.240 358 HB3 SER 47 HB1 SER 47 6.373 -0.887 15.671 359 HG SER 47 HG SER 47 5.887 1.218 15.675 360 H ILE 48 HN ILE 48 7.532 -3.165 14.079 361 HA ILE 48 HA ILE 48 5.869 -5.265 13.019 362 HB ILE 48 HB ILE 48 8.119 -5.527 15.037 363 HG12 ILE 48 HG12 ILE 48 8.300 -5.632 12.011 364 HG13 ILE 48 HG11 ILE 48 8.707 -4.198 12.953 365 HG21 ILE 48 HG21 ILE 48 6.924 -7.593 14.812 366 HG22 ILE 48 HG22 ILE 48 8.368 -7.749 13.812 367 HG23 ILE 48 HG23 ILE 48 6.810 -7.410 13.062 368 HD11 ILE 48 HD11 ILE 48 10.694 -5.628 12.407 369 HD12 ILE 48 HD12 ILE 48 9.976 -6.916 13.374 370 HD13 ILE 48 HD13 ILE 48 10.448 -5.398 14.138 371 H CYS 49 HN CYS 49 3.847 -5.354 13.965 372 HA CYS 49 HA CYS 49 3.553 -5.250 16.892 373 HB2 CYS 49 HB2 CYS 49 1.165 -5.393 16.449 374 HB3 CYS 49 HB1 CYS 49 1.870 -4.226 15.338 375 H SER 50 HN SER 50 3.078 -7.028 18.198 376 HA SER 50 HA SER 50 3.886 -9.629 17.204 377 HB2 SER 50 HB2 SER 50 2.435 -9.090 19.800 378 HB3 SER 50 HB1 SER 50 3.552 -10.400 19.436 379 HG SER 50 HG SER 50 5.200 -9.080 19.702 380 H LEU 51 HN LEU 51 2.479 -11.567 17.306 381 HA LEU 51 HA LEU 51 0.118 -11.332 15.793 382 HB2 LEU 51 HB2 LEU 51 0.624 -13.504 17.843 383 HB3 LEU 51 HB1 LEU 51 -0.342 -13.624 16.373 384 HG LEU 51 HG LEU 51 2.652 -13.138 16.467 385 HD11 LEU 51 HD11 LEU 51 2.072 -15.419 17.136 386 HD12 LEU 51 HD12 LEU 51 2.769 -15.432 15.516 387 HD13 LEU 51 HD13 LEU 51 1.025 -15.587 15.727 388 HD21 LEU 51 HD21 LEU 51 2.324 -13.738 13.956 389 HD22 LEU 51 HD22 LEU 51 1.873 -12.117 14.479 390 HD23 LEU 51 HD23 LEU 51 0.627 -13.341 14.232 391 H TYR 52 HN TYR 52 0.583 -11.147 19.284 392 HA TYR 52 HA TYR 52 -2.026 -11.450 20.223 393 HB2 TYR 52 HB2 TYR 52 0.183 -10.813 21.488 394 HB3 TYR 52 HB1 TYR 52 -0.337 -9.153 21.221 395 HD1 TYR 52 HD1 TYR 52 -2.651 -8.469 22.002 396 HD2 TYR 52 HD2 TYR 52 -0.791 -12.141 23.203 397 HE1 TYR 52 HE1 TYR 52 -4.230 -8.639 23.910 398 HE2 TYR 52 HE2 TYR 52 -2.364 -12.318 25.112 399 HH TYR 52 HH TYR 52 -4.135 -11.439 26.121 400 H GLN 53 HN GLN 53 -0.582 -8.336 19.168 401 HA GLN 53 HA GLN 53 -2.981 -6.825 19.267 402 HB2 GLN 53 HB2 GLN 53 -0.739 -6.492 17.252 403 HB3 GLN 53 HB1 GLN 53 -1.867 -5.249 17.797 404 HG2 GLN 53 HG2 GLN 53 -0.986 -5.513 20.115 405 HG3 GLN 53 HG1 GLN 53 0.200 -6.668 19.505 406 HE21 GLN 53 HE21 GLN 53 -0.784 -3.813 17.637 407 HE22 GLN 53 HE22 GLN 53 0.702 -3.004 17.766 408 H LEU 54 HN LEU 54 -1.539 -8.574 16.487 409 HA LEU 54 HA LEU 54 -3.612 -8.048 14.648 410 HB2 LEU 54 HB2 LEU 54 -1.927 -10.517 14.923 411 HB3 LEU 54 HB1 LEU 54 -2.896 -10.121 13.508 412 HG LEU 54 HG LEU 54 -0.697 -8.382 14.642 413 HD11 LEU 54 HD11 LEU 54 -0.645 -9.941 12.047 414 HD12 LEU 54 HD12 LEU 54 -0.029 -10.619 13.556 415 HD13 LEU 54 HD13 LEU 54 0.703 -9.168 12.880 416 HD21 LEU 54 HD21 LEU 54 -2.057 -6.878 13.501 417 HD22 LEU 54 HD22 LEU 54 -2.640 -8.093 12.368 418 HD23 LEU 54 HD23 LEU 54 -1.024 -7.420 12.185 419 H GLU 55 HN GLU 55 -3.341 -10.355 17.222 420 HA GLU 55 HA GLU 55 -5.750 -11.819 16.565 421 HB2 GLU 55 HB2 GLU 55 -3.751 -12.575 18.037 422 HB3 GLU 55 HB1 GLU 55 -4.553 -11.664 19.313 423 HG2 GLU 55 HG2 GLU 55 -6.647 -12.994 18.822 424 HG3 GLU 55 HG1 GLU 55 -5.669 -14.010 17.764 425 H ASN 56 HN ASN 56 -5.182 -8.756 17.792 426 HA ASN 56 HA ASN 56 -7.431 -8.635 19.652 427 HB2 ASN 56 HB2 ASN 56 -5.277 -7.209 19.655 428 HB3 ASN 56 HB1 ASN 56 -6.056 -6.265 18.385 429 HD21 ASN 56 HD21 ASN 56 -5.419 -5.621 21.327 430 HD22 ASN 56 HD22 ASN 56 -6.895 -5.076 21.958 431 H TYR 57 HN TYR 57 -7.035 -8.184 16.229 432 HA TYR 57 HA TYR 57 -9.639 -6.752 16.017 433 HB2 TYR 57 HB2 TYR 57 -7.793 -7.436 13.737 434 HB3 TYR 57 HB1 TYR 57 -8.926 -6.100 13.867 435 HD1 TYR 57 HD1 TYR 57 -8.429 -4.194 15.500 436 HD2 TYR 57 HD2 TYR 57 -5.618 -7.280 14.598 437 HE1 TYR 57 HE1 TYR 57 -6.619 -2.797 16.424 438 HE2 TYR 57 HE2 TYR 57 -3.781 -5.892 15.534 439 HH TYR 57 HH TYR 57 -4.015 -3.646 17.508 440 H CYS 58 HN CYS 58 -8.485 -9.905 15.974 441 HA CYS 58 HA CYS 58 -9.943 -11.063 13.826 442 HB2 CYS 58 HB2 CYS 58 -9.138 -12.248 16.490 443 HB3 CYS 58 HB1 CYS 58 -9.717 -13.174 15.111 444 H GLY 59 HN GLY 59 -12.038 -10.325 13.675 445 HA2 GLY 59 HA2 GLY 59 -13.981 -11.567 15.446 446 HA3 GLY 59 HA1 GLY 59 -13.899 -9.820 15.679 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 4.360 -15.841 9.984 2 H2 PHE 1 HT2 PHE 1 4.779 -16.916 11.231 3 H3 PHE 1 HT3 PHE 1 5.993 -16.137 10.333 4 HA PHE 1 HA PHE 1 4.804 -13.990 11.197 5 HB2 PHE 1 HB2 PHE 1 3.792 -16.242 12.862 6 HB3 PHE 1 HB1 PHE 1 4.355 -14.846 13.774 7 HD1 PHE 1 HD1 PHE 1 1.496 -16.242 12.423 8 HD2 PHE 1 HD2 PHE 1 3.603 -12.496 12.523 9 HE1 PHE 1 HE1 PHE 1 -0.616 -15.041 11.949 10 HE2 PHE 1 HE2 PHE 1 1.491 -11.289 12.039 11 HZ PHE 1 HZ PHE 1 -0.629 -12.567 11.767 12 H VAL 2 HN VAL 2 6.667 -12.964 11.600 13 HA VAL 2 HA VAL 2 8.485 -13.927 13.694 14 HB VAL 2 HB VAL 2 10.478 -13.815 12.159 15 HG11 VAL 2 HG11 VAL 2 10.248 -16.030 11.363 16 HG12 VAL 2 HG12 VAL 2 8.498 -15.875 11.202 17 HG13 VAL 2 HG13 VAL 2 9.235 -15.950 12.803 18 HG21 VAL 2 HG21 VAL 2 8.289 -13.688 10.070 19 HG22 VAL 2 HG22 VAL 2 9.972 -14.066 9.709 20 HG23 VAL 2 HG23 VAL 2 9.544 -12.485 10.363 21 H ASN 3 HN ASN 3 10.643 -12.177 12.737 22 HA ASN 3 HA ASN 3 9.484 -9.627 13.642 23 HB2 ASN 3 HB2 ASN 3 12.326 -10.015 12.697 24 HB3 ASN 3 HB1 ASN 3 11.707 -8.875 13.892 25 HD21 ASN 3 HD21 ASN 3 11.466 -9.612 16.072 26 HD22 ASN 3 HD22 ASN 3 11.923 -11.167 16.575 27 H GLN 4 HN GLN 4 8.134 -9.031 11.871 28 HA GLN 4 HA GLN 4 9.579 -7.756 9.653 29 HB2 GLN 4 HB2 GLN 4 8.053 -8.947 7.964 30 HB3 GLN 4 HB1 GLN 4 9.374 -9.903 8.637 31 HG2 GLN 4 HG2 GLN 4 7.837 -10.887 10.291 32 HG3 GLN 4 HG1 GLN 4 6.512 -9.916 9.649 33 HE21 GLN 4 HE21 GLN 4 8.953 -12.331 8.534 34 HE22 GLN 4 HE22 GLN 4 7.930 -13.050 7.386 35 H HIS 5 HN HIS 5 8.282 -6.173 8.597 36 HA HIS 5 HA HIS 5 5.961 -5.301 10.185 37 HB2 HIS 5 HB2 HIS 5 6.451 -3.682 7.793 38 HB3 HIS 5 HB1 HIS 5 6.566 -3.216 9.483 39 HD2 HIS 5 HD2 HIS 5 9.194 -4.947 10.393 40 HE1 HIS 5 HE1 HIS 5 11.106 -3.094 7.119 41 HE2 HIS 5 HE2 HIS 5 11.474 -4.356 9.294 42 H LEU 6 HN LEU 6 3.896 -5.728 9.634 43 HA LEU 6 HA LEU 6 3.330 -7.165 7.109 44 HB2 LEU 6 HB2 LEU 6 1.972 -6.708 9.725 45 HB3 LEU 6 HB1 LEU 6 0.917 -6.892 8.337 46 HG LEU 6 HG LEU 6 1.801 -9.081 7.856 47 HD11 LEU 6 HD11 LEU 6 3.567 -9.986 9.577 48 HD12 LEU 6 HD12 LEU 6 3.932 -8.278 9.820 49 HD13 LEU 6 HD13 LEU 6 4.112 -9.002 8.223 50 HD21 LEU 6 HD21 LEU 6 1.304 -8.657 10.805 51 HD22 LEU 6 HD22 LEU 6 1.409 -10.235 10.047 52 HD23 LEU 6 HD23 LEU 6 0.131 -9.129 9.583 53 H CYS 7 HN CYS 7 2.855 -5.941 5.315 54 HA CYS 7 HA CYS 7 1.160 -3.502 5.687 55 HB2 CYS 7 HB2 CYS 7 3.466 -3.771 3.745 56 HB3 CYS 7 HB1 CYS 7 2.467 -2.341 4.008 57 H GLY 8 HN GLY 8 -0.645 -3.604 4.548 58 HA2 GLY 8 HA2 GLY 8 -2.211 -4.196 2.929 59 HA3 GLY 8 HA1 GLY 8 -0.851 -4.356 1.819 60 H SER 9 HN SER 9 -1.284 -6.259 0.811 61 HA SER 9 HA SER 9 -2.642 -8.495 1.640 62 HB2 SER 9 HB2 SER 9 -0.034 -8.734 0.135 63 HB3 SER 9 HB1 SER 9 -1.463 -9.754 -0.005 64 HG SER 9 HG SER 9 -1.242 -8.153 -1.685 65 H HIS 10 HN HIS 10 0.631 -7.605 2.654 66 HA HIS 10 HA HIS 10 1.297 -10.142 3.803 67 HB2 HIS 10 HB2 HIS 10 2.797 -8.038 3.378 68 HB3 HIS 10 HB1 HIS 10 2.238 -7.533 4.966 69 HD2 HIS 10 HD2 HIS 10 2.385 -11.095 5.645 70 HE1 HIS 10 HE1 HIS 10 6.455 -9.993 5.907 71 HE2 HIS 10 HE2 HIS 10 4.753 -11.803 6.448 72 H LEU 11 HN LEU 11 -0.521 -7.361 4.966 73 HA LEU 11 HA LEU 11 -0.733 -8.298 7.680 74 HB2 LEU 11 HB2 LEU 11 -1.075 -5.912 7.032 75 HB3 LEU 11 HB1 LEU 11 -2.506 -6.383 6.131 76 HG LEU 11 HG LEU 11 -3.708 -6.880 8.077 77 HD11 LEU 11 HD11 LEU 11 -2.263 -8.204 9.419 78 HD12 LEU 11 HD12 LEU 11 -2.554 -6.760 10.386 79 HD13 LEU 11 HD13 LEU 11 -1.049 -6.928 9.502 80 HD21 LEU 11 HD21 LEU 11 -2.873 -4.366 7.666 81 HD22 LEU 11 HD22 LEU 11 -2.174 -4.610 9.266 82 HD23 LEU 11 HD23 LEU 11 -3.909 -4.803 9.020 83 H VAL 12 HN VAL 12 -2.925 -8.360 4.906 84 HA VAL 12 HA VAL 12 -5.011 -9.856 6.118 85 HB VAL 12 HB VAL 12 -3.995 -9.615 3.281 86 HG11 VAL 12 HG11 VAL 12 -5.980 -11.573 4.342 87 HG12 VAL 12 HG12 VAL 12 -5.031 -11.628 2.866 88 HG13 VAL 12 HG13 VAL 12 -6.504 -10.666 2.926 89 HG21 VAL 12 HG21 VAL 12 -5.096 -7.689 4.381 90 HG22 VAL 12 HG22 VAL 12 -6.532 -8.679 4.638 91 HG23 VAL 12 HG23 VAL 12 -6.015 -8.285 2.998 92 H GLU 13 HN GLU 13 -2.441 -11.045 3.970 93 HA GLU 13 HA GLU 13 -2.802 -13.771 4.218 94 HB2 GLU 13 HB2 GLU 13 -0.186 -12.243 4.190 95 HB3 GLU 13 HB1 GLU 13 -0.309 -13.988 3.955 96 HG2 GLU 13 HG2 GLU 13 -1.503 -13.756 1.931 97 HG3 GLU 13 HG1 GLU 13 -1.927 -12.079 2.274 98 H ALA 14 HN ALA 14 -1.517 -11.589 6.678 99 HA ALA 14 HA ALA 14 -0.707 -13.864 8.384 100 HB1 ALA 14 HB1 ALA 14 0.075 -11.189 8.200 101 HB2 ALA 14 HB2 ALA 14 0.519 -12.293 9.497 102 HB3 ALA 14 HB3 ALA 14 -0.867 -11.220 9.689 103 H LEU 15 HN LEU 15 -3.022 -11.135 8.827 104 HA LEU 15 HA LEU 15 -4.347 -12.076 11.080 105 HB2 LEU 15 HB2 LEU 15 -5.415 -10.644 8.652 106 HB3 LEU 15 HB1 LEU 15 -6.448 -11.009 10.026 107 HG LEU 15 HG LEU 15 -3.821 -9.625 10.523 108 HD11 LEU 15 HD11 LEU 15 -5.175 -8.421 8.670 109 HD12 LEU 15 HD12 LEU 15 -4.699 -7.475 10.074 110 HD13 LEU 15 HD13 LEU 15 -6.344 -8.070 9.935 111 HD21 LEU 15 HD21 LEU 15 -5.095 -8.677 12.402 112 HD22 LEU 15 HD22 LEU 15 -5.223 -10.430 12.420 113 HD23 LEU 15 HD23 LEU 15 -6.563 -9.454 11.824 114 H TYR 16 HN TYR 16 -4.781 -13.121 7.734 115 HA TYR 16 HA TYR 16 -7.103 -14.665 7.979 116 HB2 TYR 16 HB2 TYR 16 -6.319 -14.575 5.796 117 HB3 TYR 16 HB1 TYR 16 -4.644 -14.755 6.285 118 HD1 TYR 16 HD1 TYR 16 -3.718 -16.665 5.296 119 HD2 TYR 16 HD2 TYR 16 -7.718 -16.840 6.853 120 HE1 TYR 16 HE1 TYR 16 -3.816 -19.080 4.766 121 HE2 TYR 16 HE2 TYR 16 -7.819 -19.259 6.316 122 HH TYR 16 HH TYR 16 -6.761 -20.988 5.421 123 H LEU 17 HN LEU 17 -3.766 -15.512 8.881 124 HA LEU 17 HA LEU 17 -4.506 -18.193 9.770 125 HB2 LEU 17 HB2 LEU 17 -2.023 -16.496 10.176 126 HB3 LEU 17 HB1 LEU 17 -2.197 -18.123 10.820 127 HG LEU 17 HG LEU 17 -2.794 -18.760 8.325 128 HD11 LEU 17 HD11 LEU 17 -1.538 -17.338 6.713 129 HD12 LEU 17 HD12 LEU 17 -1.221 -16.189 8.011 130 HD13 LEU 17 HD13 LEU 17 -2.872 -16.466 7.462 131 HD21 LEU 17 HD21 LEU 17 -0.007 -18.072 9.300 132 HD22 LEU 17 HD22 LEU 17 -0.331 -19.027 7.854 133 HD23 LEU 17 HD23 LEU 17 -0.825 -19.628 9.436 134 H VAL 18 HN VAL 18 -3.561 -15.172 11.382 135 HA VAL 18 HA VAL 18 -3.850 -15.940 14.061 136 HB VAL 18 HB VAL 18 -4.819 -13.303 12.933 137 HG11 VAL 18 HG11 VAL 18 -4.203 -12.403 15.063 138 HG12 VAL 18 HG12 VAL 18 -3.457 -13.927 15.548 139 HG13 VAL 18 HG13 VAL 18 -5.207 -13.824 15.355 140 HG21 VAL 18 HG21 VAL 18 -1.996 -14.174 13.622 141 HG22 VAL 18 HG22 VAL 18 -2.474 -12.526 13.218 142 HG23 VAL 18 HG23 VAL 18 -2.596 -13.800 12.008 143 H CYS 19 HN CYS 19 -6.371 -14.494 11.994 144 HA CYS 19 HA CYS 19 -8.491 -15.120 13.892 145 HB2 CYS 19 HB2 CYS 19 -8.867 -14.337 10.999 146 HB3 CYS 19 HB1 CYS 19 -9.895 -13.960 12.385 147 H GLY 20 HN GLY 20 -7.013 -16.721 11.175 148 HA2 GLY 20 HA2 GLY 20 -7.539 -18.749 10.106 149 HA3 GLY 20 HA1 GLY 20 -8.258 -19.210 11.652 150 H GLU 21 HN GLU 21 -10.408 -19.644 11.550 151 HA GLU 21 HA GLU 21 -11.942 -18.799 9.183 152 HB2 GLU 21 HB2 GLU 21 -12.650 -20.489 11.597 153 HB3 GLU 21 HB1 GLU 21 -13.781 -20.128 10.291 154 HG2 GLU 21 HG2 GLU 21 -12.164 -21.117 8.668 155 HG3 GLU 21 HG1 GLU 21 -11.124 -21.564 10.020 156 H ARG 22 HN ARG 22 -11.513 -17.788 12.480 157 HA ARG 22 HA ARG 22 -13.971 -16.490 12.978 158 HB2 ARG 22 HB2 ARG 22 -11.211 -15.465 13.726 159 HB3 ARG 22 HB1 ARG 22 -12.730 -15.039 14.512 160 HG2 ARG 22 HG2 ARG 22 -11.874 -17.930 14.332 161 HG3 ARG 22 HG1 ARG 22 -11.220 -16.888 15.590 162 HD2 ARG 22 HD2 ARG 22 -14.181 -16.779 15.272 163 HD3 ARG 22 HD1 ARG 22 -13.531 -18.296 15.888 164 HE ARG 22 HE ARG 22 -12.250 -16.366 17.405 165 HH11 ARG 22 HH11 ARG 22 -13.094 -15.620 19.364 166 HH12 ARG 22 HH12 ARG 22 -14.800 -15.710 19.647 167 HH21 ARG 22 HH21 ARG 22 -15.504 -17.141 16.568 168 HH22 ARG 22 HH22 ARG 22 -16.165 -16.571 18.064 169 H GLY 23 HN GLY 23 -11.173 -15.443 11.082 170 HA2 GLY 23 HA2 GLY 23 -11.103 -13.869 9.333 171 HA3 GLY 23 HA1 GLY 23 -12.846 -13.677 9.499 172 H PHE 24 HN PHE 24 -11.168 -11.503 9.052 173 HA PHE 24 HA PHE 24 -11.553 -9.927 11.564 174 HB2 PHE 24 HB2 PHE 24 -9.417 -8.721 11.041 175 HB3 PHE 24 HB1 PHE 24 -9.176 -10.402 11.479 176 HD1 PHE 24 HD1 PHE 24 -9.109 -12.148 9.533 177 HD2 PHE 24 HD2 PHE 24 -8.551 -7.915 9.018 178 HE1 PHE 24 HE1 PHE 24 -8.005 -12.563 7.348 179 HE2 PHE 24 HE2 PHE 24 -7.442 -8.339 6.830 180 HZ PHE 24 HZ PHE 24 -7.189 -10.652 6.008 181 H PHE 25 HN PHE 25 -11.375 -7.477 10.895 182 HA PHE 25 HA PHE 25 -12.755 -7.138 8.256 183 HB2 PHE 25 HB2 PHE 25 -13.942 -5.336 9.227 184 HB3 PHE 25 HB1 PHE 25 -13.927 -6.578 10.481 185 HD1 PHE 25 HD1 PHE 25 -13.047 -3.220 9.667 186 HD2 PHE 25 HD2 PHE 25 -12.044 -6.477 12.250 187 HE1 PHE 25 HE1 PHE 25 -11.888 -1.638 11.184 188 HE2 PHE 25 HE2 PHE 25 -10.882 -4.906 13.773 189 HZ PHE 25 HZ PHE 25 -10.802 -2.487 13.245 190 H TYR 26 HN TYR 26 -11.509 -6.140 6.723 191 HA TYR 26 HA TYR 26 -9.059 -4.701 7.596 192 HB2 TYR 26 HB2 TYR 26 -9.269 -6.415 5.594 193 HB3 TYR 26 HB1 TYR 26 -9.866 -5.016 4.704 194 HD1 TYR 26 HD1 TYR 26 -7.049 -6.098 6.920 195 HD2 TYR 26 HD2 TYR 26 -8.318 -3.494 3.753 196 HE1 TYR 26 HE1 TYR 26 -4.714 -5.345 6.616 197 HE2 TYR 26 HE2 TYR 26 -5.974 -2.721 3.460 198 HH TYR 26 HH TYR 26 -3.805 -2.699 5.278 199 H THR 27 HN THR 27 -9.440 -2.651 8.166 200 HA THR 27 HA THR 27 -11.147 -0.761 8.172 201 HB THR 27 HB THR 27 -8.962 0.054 8.344 202 HG1 THR 27 HG1 THR 27 -9.187 1.334 5.991 203 HG21 THR 27 HG21 THR 27 -7.449 0.074 6.280 204 HG22 THR 27 HG22 THR 27 -8.612 -1.029 5.546 205 HG23 THR 27 HG23 THR 27 -7.751 -1.502 7.010 206 HA PRO 28 HA PRO 28 -13.001 -1.397 3.954 207 HB2 PRO 28 HB2 PRO 28 -15.567 -0.747 5.152 208 HB3 PRO 28 HB1 PRO 28 -15.058 -2.282 4.441 209 HG2 PRO 28 HG2 PRO 28 -15.453 -1.761 7.221 210 HG3 PRO 28 HG1 PRO 28 -14.746 -3.212 6.506 211 HD2 PRO 28 HD2 PRO 28 -13.391 -1.062 7.953 212 HD3 PRO 28 HD1 PRO 28 -12.741 -2.634 7.445 213 H ARG 29 HN ARG 29 -12.611 0.942 6.267 214 HA ARG 29 HA ARG 29 -13.910 3.177 4.879 215 HB2 ARG 29 HB2 ARG 29 -11.981 2.931 7.202 216 HB3 ARG 29 HB1 ARG 29 -12.531 4.486 6.587 217 HG2 ARG 29 HG2 ARG 29 -13.785 3.460 8.577 218 HG3 ARG 29 HG1 ARG 29 -14.746 4.111 7.262 219 HD2 ARG 29 HD2 ARG 29 -15.120 1.845 6.377 220 HD3 ARG 29 HD1 ARG 29 -14.051 1.176 7.619 221 HE ARG 29 HE ARG 29 -15.923 2.482 9.124 222 HH11 ARG 29 HH11 ARG 29 -17.848 1.519 9.818 223 HH12 ARG 29 HH12 ARG 29 -18.546 0.240 8.880 224 HH21 ARG 29 HH21 ARG 29 -16.063 0.303 6.467 225 HH22 ARG 29 HH22 ARG 29 -17.534 -0.449 6.982 226 H THR 30 HN THR 30 -10.937 1.506 5.048 227 HA THR 30 HA THR 30 -8.876 1.797 3.960 228 HB THR 30 HB THR 30 -9.230 2.860 1.580 229 HG1 THR 30 HG1 THR 30 -11.253 3.207 1.033 230 HG21 THR 30 HG21 THR 30 -10.507 0.293 2.540 231 HG22 THR 30 HG22 THR 30 -8.897 0.495 1.852 232 HG23 THR 30 HG23 THR 30 -10.321 0.705 0.836 233 H GLU 31 HN GLU 31 -7.901 3.864 2.328 234 HA GLU 31 HA GLU 31 -7.222 5.835 4.315 235 HB2 GLU 31 HB2 GLU 31 -6.878 5.916 1.300 236 HB3 GLU 31 HB1 GLU 31 -6.083 6.994 2.448 237 HG2 GLU 31 HG2 GLU 31 -5.102 4.947 3.558 238 HG3 GLU 31 HG1 GLU 31 -5.739 3.994 2.218 239 H GLU 32 HN GLU 32 -10.132 5.520 3.579 240 HA GLU 32 HA GLU 32 -10.786 8.175 2.450 241 HB2 GLU 32 HB2 GLU 32 -12.835 6.176 3.405 242 HB3 GLU 32 HB1 GLU 32 -12.962 7.354 2.109 243 HG2 GLU 32 HG2 GLU 32 -10.924 5.144 1.814 244 HG3 GLU 32 HG1 GLU 32 -12.618 4.759 1.566 245 H GLY 33 HN GLY 33 -10.901 6.313 5.410 246 HA2 GLY 33 HA2 GLY 33 -12.199 8.553 6.881 247 HA3 GLY 33 HA1 GLY 33 -11.922 6.929 7.513 248 H SER 34 HN SER 34 -10.611 7.315 9.293 249 HA SER 34 HA SER 34 -7.864 8.113 8.805 250 HB2 SER 34 HB2 SER 34 -8.935 10.321 8.866 251 HB3 SER 34 HB1 SER 34 -9.660 9.931 10.419 252 HG SER 34 HG SER 34 -7.206 10.872 9.881 253 H ARG 35 HN ARG 35 -9.996 8.473 11.603 254 HA ARG 35 HA ARG 35 -8.384 7.596 13.629 255 HB2 ARG 35 HB2 ARG 35 -10.575 6.488 14.588 256 HB3 ARG 35 HB1 ARG 35 -10.507 8.233 14.357 257 HG2 ARG 35 HG2 ARG 35 -11.626 7.963 12.152 258 HG3 ARG 35 HG1 ARG 35 -11.723 6.227 12.437 259 HD2 ARG 35 HD2 ARG 35 -12.879 8.245 14.362 260 HD3 ARG 35 HD1 ARG 35 -13.811 7.570 13.026 261 HE ARG 35 HE ARG 35 -12.788 5.341 14.323 262 HH11 ARG 35 HH11 ARG 35 -13.890 4.301 16.002 263 HH12 ARG 35 HH12 ARG 35 -15.045 5.187 16.940 264 HH21 ARG 35 HH21 ARG 35 -14.590 8.148 15.196 265 HH22 ARG 35 HH22 ARG 35 -15.441 7.364 16.485 266 H ARG 36 HN ARG 36 -10.429 5.324 11.756 267 HA ARG 36 HA ARG 36 -9.181 3.021 12.959 268 HB2 ARG 36 HB2 ARG 36 -10.990 3.397 10.569 269 HB3 ARG 36 HB1 ARG 36 -10.356 1.812 11.004 270 HG2 ARG 36 HG2 ARG 36 -11.677 3.471 13.134 271 HG3 ARG 36 HG1 ARG 36 -12.693 2.636 11.965 272 HD2 ARG 36 HD2 ARG 36 -11.616 0.494 12.549 273 HD3 ARG 36 HD1 ARG 36 -10.585 1.324 13.713 274 HE ARG 36 HE ARG 36 -13.163 2.010 14.483 275 HH11 ARG 36 HH11 ARG 36 -14.348 0.798 15.975 276 HH12 ARG 36 HH12 ARG 36 -13.975 -0.877 16.202 277 HH21 ARG 36 HH21 ARG 36 -11.411 -0.897 13.869 278 HH22 ARG 36 HH22 ARG 36 -12.313 -1.837 15.011 279 H SER 37 HN SER 37 -8.637 1.350 10.837 280 HA SER 37 HA SER 37 -6.909 0.683 9.433 281 HB2 SER 37 HB2 SER 37 -7.729 2.086 7.753 282 HB3 SER 37 HB1 SER 37 -7.291 3.553 8.612 283 HG SER 37 HG SER 37 -5.047 2.665 8.369 284 H ARG 38 HN ARG 38 -5.857 3.971 10.512 285 HA ARG 38 HA ARG 38 -3.113 3.262 10.645 286 HB2 ARG 38 HB2 ARG 38 -2.837 5.226 12.106 287 HB3 ARG 38 HB1 ARG 38 -3.908 5.606 10.758 288 HG2 ARG 38 HG2 ARG 38 -5.867 5.172 12.232 289 HG3 ARG 38 HG1 ARG 38 -4.767 4.893 13.580 290 HD2 ARG 38 HD2 ARG 38 -4.669 7.455 11.986 291 HD3 ARG 38 HD1 ARG 38 -5.773 7.259 13.347 292 HE ARG 38 HE ARG 38 -3.321 6.493 14.379 293 HH11 ARG 38 HH11 ARG 38 -1.908 7.953 15.366 294 HH12 ARG 38 HH12 ARG 38 -1.983 9.632 14.944 295 HH21 ARG 38 HH21 ARG 38 -4.567 9.217 12.669 296 HH22 ARG 38 HH22 ARG 38 -3.489 10.347 13.418 297 H GLY 39 HN GLY 39 -5.717 2.255 12.579 298 HA2 GLY 39 HA2 GLY 39 -4.116 1.732 14.988 299 HA3 GLY 39 HA1 GLY 39 -5.795 1.253 14.731 300 H ILE 40 HN ILE 40 -5.352 -0.053 12.191 301 HA ILE 40 HA ILE 40 -4.062 -2.541 13.187 302 HB ILE 40 HB ILE 40 -6.524 -2.216 12.228 303 HG12 ILE 40 HG12 ILE 40 -6.191 -4.381 12.936 304 HG13 ILE 40 HG11 ILE 40 -6.296 -4.675 11.219 305 HG21 ILE 40 HG21 ILE 40 -6.746 -2.770 9.882 306 HG22 ILE 40 HG22 ILE 40 -4.999 -2.867 9.698 307 HG23 ILE 40 HG23 ILE 40 -5.763 -1.322 10.060 308 HD11 ILE 40 HD11 ILE 40 -4.411 -5.913 11.796 309 HD12 ILE 40 HD12 ILE 40 -3.865 -4.756 12.998 310 HD13 ILE 40 HD13 ILE 40 -3.674 -4.407 11.284 311 H VAL 41 HN VAL 41 -4.176 -0.573 10.165 312 HA VAL 41 HA VAL 41 -2.077 -2.070 8.909 313 HB VAL 41 HB VAL 41 -2.615 0.822 8.239 314 HG11 VAL 41 HG11 VAL 41 -2.226 0.015 5.959 315 HG12 VAL 41 HG12 VAL 41 -2.121 -1.646 6.540 316 HG13 VAL 41 HG13 VAL 41 -0.886 -0.473 6.995 317 HG21 VAL 41 HG21 VAL 41 -4.840 0.060 8.457 318 HG22 VAL 41 HG22 VAL 41 -4.444 -1.551 7.860 319 HG23 VAL 41 HG23 VAL 41 -4.485 -0.183 6.749 320 H GLU 42 HN GLU 42 -1.840 1.326 10.076 321 HA GLU 42 HA GLU 42 0.960 1.478 9.865 322 HB2 GLU 42 HB2 GLU 42 -0.873 2.890 11.811 323 HB3 GLU 42 HB1 GLU 42 0.811 3.328 11.536 324 HG2 GLU 42 HG2 GLU 42 -1.200 3.156 9.284 325 HG3 GLU 42 HG1 GLU 42 -0.925 4.644 10.191 326 H GLN 43 HN GLN 43 -0.879 0.711 12.863 327 HA GLN 43 HA GLN 43 1.281 0.357 14.572 328 HB2 GLN 43 HB2 GLN 43 -1.412 -0.146 14.743 329 HB3 GLN 43 HB1 GLN 43 -0.778 -1.785 14.809 330 HG2 GLN 43 HG2 GLN 43 -0.182 0.525 16.677 331 HG3 GLN 43 HG1 GLN 43 -0.885 -1.041 17.076 332 HE21 GLN 43 HE21 GLN 43 0.965 -2.676 15.567 333 HE22 GLN 43 HE22 GLN 43 2.479 -2.575 16.325 334 H CYS 44 HN CYS 44 -0.065 -2.172 12.405 335 HA CYS 44 HA CYS 44 2.127 -3.989 13.047 336 HB2 CYS 44 HB2 CYS 44 -0.155 -4.106 11.048 337 HB3 CYS 44 HB1 CYS 44 1.022 -5.394 11.260 338 H CYS 45 HN CYS 45 1.098 -2.327 10.047 339 HA CYS 45 HA CYS 45 3.412 -3.020 8.530 340 HB2 CYS 45 HB2 CYS 45 1.338 -2.114 7.520 341 HB3 CYS 45 HB1 CYS 45 1.656 -0.560 8.286 342 H ARG 46 HN ARG 46 2.710 -0.059 10.419 343 HA ARG 46 HA ARG 46 5.289 1.095 9.868 344 HB2 ARG 46 HB2 ARG 46 3.027 2.163 10.791 345 HB3 ARG 46 HB1 ARG 46 3.749 1.815 12.357 346 HG2 ARG 46 HG2 ARG 46 5.365 3.280 10.260 347 HG3 ARG 46 HG1 ARG 46 4.173 4.147 11.213 348 HD2 ARG 46 HD2 ARG 46 6.024 2.412 12.773 349 HD3 ARG 46 HD1 ARG 46 6.744 3.831 12.021 350 HE ARG 46 HE ARG 46 4.453 4.810 13.241 351 HH11 ARG 46 HH11 ARG 46 4.459 5.592 15.363 352 HH12 ARG 46 HH12 ARG 46 5.660 5.026 16.476 353 HH21 ARG 46 HH21 ARG 46 7.194 2.937 14.174 354 HH22 ARG 46 HH22 ARG 46 7.210 3.526 15.802 355 H SER 47 HN SER 47 4.043 -0.967 12.484 356 HA SER 47 HA SER 47 6.878 -1.374 13.371 357 HB2 SER 47 HB2 SER 47 4.579 -1.093 15.317 358 HB3 SER 47 HB1 SER 47 6.301 -1.157 15.679 359 HG SER 47 HG SER 47 5.822 0.804 13.922 360 H ILE 48 HN ILE 48 7.273 -3.463 14.253 361 HA ILE 48 HA ILE 48 5.611 -5.558 13.176 362 HB ILE 48 HB ILE 48 7.676 -5.886 15.362 363 HG12 ILE 48 HG12 ILE 48 8.068 -5.492 12.379 364 HG13 ILE 48 HG11 ILE 48 8.697 -4.474 13.675 365 HG21 ILE 48 HG21 ILE 48 7.075 -7.673 13.000 366 HG22 ILE 48 HG22 ILE 48 6.192 -7.812 14.520 367 HG23 ILE 48 HG23 ILE 48 7.935 -8.081 14.484 368 HD11 ILE 48 HD11 ILE 48 9.498 -7.308 12.989 369 HD12 ILE 48 HD12 ILE 48 9.927 -6.547 14.520 370 HD13 ILE 48 HD13 ILE 48 10.517 -5.869 13.003 371 H CYS 49 HN CYS 49 3.538 -5.565 14.025 372 HA CYS 49 HA CYS 49 3.096 -5.296 16.914 373 HB2 CYS 49 HB2 CYS 49 0.726 -5.524 16.349 374 HB3 CYS 49 HB1 CYS 49 1.488 -4.374 15.264 375 H SER 50 HN SER 50 2.395 -6.957 18.292 376 HA SER 50 HA SER 50 3.268 -9.642 17.538 377 HB2 SER 50 HB2 SER 50 1.866 -8.698 20.054 378 HB3 SER 50 HB1 SER 50 2.684 -10.242 19.840 379 HG SER 50 HG SER 50 4.286 -9.087 20.638 380 H LEU 51 HN LEU 51 1.772 -11.530 17.960 381 HA LEU 51 HA LEU 51 -0.523 -11.424 16.302 382 HB2 LEU 51 HB2 LEU 51 -0.147 -13.341 18.615 383 HB3 LEU 51 HB1 LEU 51 -1.040 -13.621 17.120 384 HG LEU 51 HG LEU 51 1.954 -13.207 17.358 385 HD11 LEU 51 HD11 LEU 51 1.974 -15.571 16.480 386 HD12 LEU 51 HD12 LEU 51 0.230 -15.618 16.739 387 HD13 LEU 51 HD13 LEU 51 1.320 -15.409 18.110 388 HD21 LEU 51 HD21 LEU 51 0.081 -13.459 14.997 389 HD22 LEU 51 HD22 LEU 51 1.768 -13.950 14.871 390 HD23 LEU 51 HD23 LEU 51 1.368 -12.281 15.261 391 H TYR 52 HN TYR 52 -0.150 -10.807 19.748 392 HA TYR 52 HA TYR 52 -2.785 -10.960 20.647 393 HB2 TYR 52 HB2 TYR 52 -0.592 -10.166 21.863 394 HB3 TYR 52 HB1 TYR 52 -1.114 -8.557 21.386 395 HD1 TYR 52 HD1 TYR 52 -3.449 -7.800 22.031 396 HD2 TYR 52 HD2 TYR 52 -1.591 -11.280 23.710 397 HE1 TYR 52 HE1 TYR 52 -5.065 -7.748 23.914 398 HE2 TYR 52 HE2 TYR 52 -3.201 -11.234 25.596 399 HH TYR 52 HH TYR 52 -4.800 -8.852 26.588 400 H GLN 53 HN GLN 53 -1.262 -8.180 18.999 401 HA GLN 53 HA GLN 53 -3.689 -6.617 18.913 402 HB2 GLN 53 HB2 GLN 53 -1.313 -6.426 17.043 403 HB3 GLN 53 HB1 GLN 53 -2.479 -5.156 17.417 404 HG2 GLN 53 HG2 GLN 53 -1.745 -5.239 19.802 405 HG3 GLN 53 HG1 GLN 53 -0.510 -6.414 19.350 406 HE21 GLN 53 HE21 GLN 53 -1.569 -3.483 17.555 407 HE22 GLN 53 HE22 GLN 53 -0.042 -2.741 17.565 408 H LEU 54 HN LEU 54 -1.998 -8.503 16.359 409 HA LEU 54 HA LEU 54 -3.948 -8.165 14.364 410 HB2 LEU 54 HB2 LEU 54 -2.231 -10.571 14.892 411 HB3 LEU 54 HB1 LEU 54 -3.109 -10.277 13.395 412 HG LEU 54 HG LEU 54 -1.011 -8.445 14.569 413 HD11 LEU 54 HD11 LEU 54 -0.803 -10.129 12.060 414 HD12 LEU 54 HD12 LEU 54 -0.253 -10.719 13.628 415 HD13 LEU 54 HD13 LEU 54 0.493 -9.292 12.911 416 HD21 LEU 54 HD21 LEU 54 -2.349 -7.025 13.282 417 HD22 LEU 54 HD22 LEU 54 -2.808 -8.303 12.159 418 HD23 LEU 54 HD23 LEU 54 -1.202 -7.586 12.072 419 H GLU 55 HN GLU 55 -3.807 -10.355 17.047 420 HA GLU 55 HA GLU 55 -6.137 -11.888 16.291 421 HB2 GLU 55 HB2 GLU 55 -4.241 -12.583 17.889 422 HB3 GLU 55 HB1 GLU 55 -5.064 -11.591 19.084 423 HG2 GLU 55 HG2 GLU 55 -6.611 -13.698 17.576 424 HG3 GLU 55 HG1 GLU 55 -5.615 -14.153 18.952 425 H ASN 56 HN ASN 56 -5.702 -8.775 17.450 426 HA ASN 56 HA ASN 56 -8.072 -8.628 19.148 427 HB2 ASN 56 HB2 ASN 56 -5.978 -7.144 19.250 428 HB3 ASN 56 HB1 ASN 56 -6.650 -6.298 17.856 429 HD21 ASN 56 HD21 ASN 56 -6.285 -5.243 20.628 430 HD22 ASN 56 HD22 ASN 56 -7.831 -4.783 21.154 431 H TYR 57 HN TYR 57 -7.462 -8.317 15.739 432 HA TYR 57 HA TYR 57 -10.083 -6.978 15.291 433 HB2 TYR 57 HB2 TYR 57 -8.073 -7.720 13.172 434 HB3 TYR 57 HB1 TYR 57 -9.248 -6.416 13.158 435 HD1 TYR 57 HD1 TYR 57 -8.923 -4.426 14.742 436 HD2 TYR 57 HD2 TYR 57 -5.961 -7.440 14.137 437 HE1 TYR 57 HE1 TYR 57 -7.220 -2.927 15.708 438 HE2 TYR 57 HE2 TYR 57 -4.231 -5.953 15.117 439 HH TYR 57 HH TYR 57 -3.949 -3.408 15.386 440 H CYS 58 HN CYS 58 -8.844 -10.102 15.465 441 HA CYS 58 HA CYS 58 -10.159 -11.382 13.285 442 HB2 CYS 58 HB2 CYS 58 -9.451 -12.446 16.027 443 HB3 CYS 58 HB1 CYS 58 -9.943 -13.437 14.660 444 H GLY 59 HN GLY 59 -12.258 -10.688 13.015 445 HA2 GLY 59 HA2 GLY 59 -14.574 -10.633 13.401 446 HA3 GLY 59 HA1 GLY 59 -14.313 -11.983 14.507 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 6.610 -15.262 9.540 2 H2 PHE 1 HT2 PHE 1 5.530 -14.639 8.387 3 H3 PHE 1 HT3 PHE 1 5.137 -16.049 9.248 4 HA PHE 1 HA PHE 1 4.546 -13.410 9.900 5 HB2 PHE 1 HB2 PHE 1 3.580 -15.953 10.377 6 HB3 PHE 1 HB1 PHE 1 4.178 -15.525 11.972 7 HD1 PHE 1 HD1 PHE 1 1.252 -15.939 10.847 8 HD2 PHE 1 HD2 PHE 1 3.631 -12.469 11.747 9 HE1 PHE 1 HE1 PHE 1 -0.809 -14.625 11.240 10 HE2 PHE 1 HE2 PHE 1 1.570 -11.152 12.120 11 HZ PHE 1 HZ PHE 1 -0.656 -12.239 11.881 12 H VAL 2 HN VAL 2 7.467 -14.721 10.332 13 HA VAL 2 HA VAL 2 8.124 -14.401 13.069 14 HB VAL 2 HB VAL 2 10.448 -14.195 12.302 15 HG11 VAL 2 HG11 VAL 2 10.510 -16.230 10.868 16 HG12 VAL 2 HG12 VAL 2 8.758 -16.120 10.696 17 HG13 VAL 2 HG13 VAL 2 9.473 -16.412 12.282 18 HG21 VAL 2 HG21 VAL 2 9.095 -13.688 9.643 19 HG22 VAL 2 HG22 VAL 2 10.783 -14.186 9.764 20 HG23 VAL 2 HG23 VAL 2 10.261 -12.660 10.477 21 H ASN 3 HN ASN 3 10.340 -12.498 12.716 22 HA ASN 3 HA ASN 3 8.935 -10.089 13.530 23 HB2 ASN 3 HB2 ASN 3 11.188 -10.860 14.401 24 HB3 ASN 3 HB1 ASN 3 11.872 -10.386 12.847 25 HD21 ASN 3 HD21 ASN 3 10.277 -9.117 15.771 26 HD22 ASN 3 HD22 ASN 3 10.744 -7.504 15.525 27 H GLN 4 HN GLN 4 7.731 -9.327 11.747 28 HA GLN 4 HA GLN 4 9.318 -7.950 9.672 29 HB2 GLN 4 HB2 GLN 4 7.734 -8.933 7.887 30 HB3 GLN 4 HB1 GLN 4 9.013 -9.988 8.488 31 HG2 GLN 4 HG2 GLN 4 7.479 -11.099 9.994 32 HG3 GLN 4 HG1 GLN 4 6.197 -9.954 9.602 33 HE21 GLN 4 HE21 GLN 4 6.265 -12.944 9.171 34 HE22 GLN 4 HE22 GLN 4 5.990 -13.159 7.510 35 H HIS 5 HN HIS 5 8.066 -6.288 8.606 36 HA HIS 5 HA HIS 5 5.826 -5.331 10.273 37 HB2 HIS 5 HB2 HIS 5 6.123 -3.492 8.181 38 HB3 HIS 5 HB1 HIS 5 6.885 -3.371 9.758 39 HD2 HIS 5 HD2 HIS 5 9.455 -5.154 9.653 40 HE1 HIS 5 HE1 HIS 5 10.209 -3.607 5.801 41 HE2 HIS 5 HE2 HIS 5 11.232 -4.821 7.783 42 H LEU 6 HN LEU 6 3.753 -5.720 9.770 43 HA LEU 6 HA LEU 6 3.065 -6.995 7.194 44 HB2 LEU 6 HB2 LEU 6 1.770 -6.545 9.843 45 HB3 LEU 6 HB1 LEU 6 0.702 -6.701 8.465 46 HG LEU 6 HG LEU 6 1.546 -8.906 7.966 47 HD11 LEU 6 HD11 LEU 6 3.316 -9.852 9.638 48 HD12 LEU 6 HD12 LEU 6 3.689 -8.157 9.944 49 HD13 LEU 6 HD13 LEU 6 3.868 -8.822 8.322 50 HD21 LEU 6 HD21 LEU 6 1.066 -8.476 10.918 51 HD22 LEU 6 HD22 LEU 6 1.161 -10.062 10.173 52 HD23 LEU 6 HD23 LEU 6 -0.112 -8.953 9.704 53 H CYS 7 HN CYS 7 2.593 -5.671 5.461 54 HA CYS 7 HA CYS 7 1.035 -3.169 6.005 55 HB2 CYS 7 HB2 CYS 7 3.285 -3.491 4.008 56 HB3 CYS 7 HB1 CYS 7 2.329 -2.032 4.271 57 H GLY 8 HN GLY 8 -0.814 -3.120 4.954 58 HA2 GLY 8 HA2 GLY 8 -2.485 -3.560 3.392 59 HA3 GLY 8 HA1 GLY 8 -1.190 -3.731 2.208 60 H SER 9 HN SER 9 -1.839 -5.549 1.140 61 HA SER 9 HA SER 9 -3.238 -7.761 1.920 62 HB2 SER 9 HB2 SER 9 -0.748 -7.747 0.197 63 HB3 SER 9 HB1 SER 9 -1.891 -9.085 0.285 64 HG SER 9 HG SER 9 -2.761 -6.460 -0.265 65 H HIS 10 HN HIS 10 0.134 -7.107 2.787 66 HA HIS 10 HA HIS 10 0.742 -9.696 3.800 67 HB2 HIS 10 HB2 HIS 10 2.240 -7.528 3.470 68 HB3 HIS 10 HB1 HIS 10 1.811 -7.233 5.150 69 HD2 HIS 10 HD2 HIS 10 2.026 -10.397 6.212 70 HE1 HIS 10 HE1 HIS 10 5.989 -10.168 4.772 71 HE2 HIS 10 HE2 HIS 10 4.397 -11.461 6.272 72 H LEU 11 HN LEU 11 -0.830 -6.883 5.276 73 HA LEU 11 HA LEU 11 -1.018 -7.999 7.891 74 HB2 LEU 11 HB2 LEU 11 -1.334 -5.573 7.371 75 HB3 LEU 11 HB1 LEU 11 -2.835 -5.975 6.557 76 HG LEU 11 HG LEU 11 -3.909 -6.532 8.558 77 HD11 LEU 11 HD11 LEU 11 -2.417 -7.966 9.731 78 HD12 LEU 11 HD12 LEU 11 -2.604 -6.568 10.787 79 HD13 LEU 11 HD13 LEU 11 -1.164 -6.726 9.799 80 HD21 LEU 11 HD21 LEU 11 -2.898 -4.013 8.236 81 HD22 LEU 11 HD22 LEU 11 -2.320 -4.396 9.858 82 HD23 LEU 11 HD23 LEU 11 -4.042 -4.473 9.489 83 H VAL 12 HN VAL 12 -3.448 -7.812 5.302 84 HA VAL 12 HA VAL 12 -5.418 -9.382 6.586 85 HB VAL 12 HB VAL 12 -4.669 -9.138 3.657 86 HG11 VAL 12 HG11 VAL 12 -6.402 -11.112 4.725 87 HG12 VAL 12 HG12 VAL 12 -6.329 -10.585 3.053 88 HG13 VAL 12 HG13 VAL 12 -7.480 -9.843 4.155 89 HG21 VAL 12 HG21 VAL 12 -6.903 -7.848 5.244 90 HG22 VAL 12 HG22 VAL 12 -6.437 -7.487 3.582 91 HG23 VAL 12 HG23 VAL 12 -5.351 -7.081 4.910 92 H GLU 13 HN GLU 13 -3.029 -10.458 4.173 93 HA GLU 13 HA GLU 13 -3.407 -13.191 4.290 94 HB2 GLU 13 HB2 GLU 13 -0.792 -11.672 4.139 95 HB3 GLU 13 HB1 GLU 13 -0.936 -13.405 3.834 96 HG2 GLU 13 HG2 GLU 13 -2.326 -13.070 1.941 97 HG3 GLU 13 HG1 GLU 13 -2.653 -11.395 2.380 98 H ALA 14 HN ALA 14 -1.956 -11.166 6.782 99 HA ALA 14 HA ALA 14 -1.038 -13.542 8.291 100 HB1 ALA 14 HB1 ALA 14 -0.999 -11.105 9.866 101 HB2 ALA 14 HB2 ALA 14 -0.389 -10.761 8.252 102 HB3 ALA 14 HB3 ALA 14 0.367 -12.019 9.222 103 H LEU 15 HN LEU 15 -3.280 -10.823 9.050 104 HA LEU 15 HA LEU 15 -4.471 -11.875 11.333 105 HB2 LEU 15 HB2 LEU 15 -5.677 -10.304 9.056 106 HB3 LEU 15 HB1 LEU 15 -6.616 -10.726 10.481 107 HG LEU 15 HG LEU 15 -3.936 -9.411 10.879 108 HD11 LEU 15 HD11 LEU 15 -6.446 -7.774 10.494 109 HD12 LEU 15 HD12 LEU 15 -5.355 -8.093 9.155 110 HD13 LEU 15 HD13 LEU 15 -4.780 -7.224 10.572 111 HD21 LEU 15 HD21 LEU 15 -5.258 -10.274 12.806 112 HD22 LEU 15 HD22 LEU 15 -6.598 -9.235 12.333 113 HD23 LEU 15 HD23 LEU 15 -5.080 -8.524 12.866 114 H TYR 16 HN TYR 16 -5.085 -12.752 7.972 115 HA TYR 16 HA TYR 16 -7.416 -14.288 8.265 116 HB2 TYR 16 HB2 TYR 16 -6.759 -14.067 6.048 117 HB3 TYR 16 HB1 TYR 16 -5.062 -14.305 6.424 118 HD1 TYR 16 HD1 TYR 16 -4.241 -16.167 5.265 119 HD2 TYR 16 HD2 TYR 16 -8.135 -16.369 7.069 120 HE1 TYR 16 HE1 TYR 16 -4.418 -18.548 4.612 121 HE2 TYR 16 HE2 TYR 16 -8.316 -18.752 6.406 122 HH TYR 16 HH TYR 16 -7.236 -20.508 5.555 123 H LEU 17 HN LEU 17 -4.038 -15.195 8.905 124 HA LEU 17 HA LEU 17 -4.732 -17.920 9.688 125 HB2 LEU 17 HB2 LEU 17 -2.219 -16.252 10.015 126 HB3 LEU 17 HB1 LEU 17 -2.356 -17.910 10.584 127 HG LEU 17 HG LEU 17 -3.124 -18.417 8.107 128 HD11 LEU 17 HD11 LEU 17 -3.253 -16.079 7.373 129 HD12 LEU 17 HD12 LEU 17 -1.982 -16.913 6.487 130 HD13 LEU 17 HD13 LEU 17 -1.566 -15.834 7.817 131 HD21 LEU 17 HD21 LEU 17 -0.773 -18.800 7.478 132 HD22 LEU 17 HD22 LEU 17 -1.041 -19.251 9.162 133 HD23 LEU 17 HD23 LEU 17 -0.243 -17.726 8.774 134 H VAL 18 HN VAL 18 -3.644 -15.006 11.408 135 HA VAL 18 HA VAL 18 -3.755 -15.930 14.047 136 HB VAL 18 HB VAL 18 -4.775 -13.227 13.145 137 HG11 VAL 18 HG11 VAL 18 -3.245 -14.011 15.621 138 HG12 VAL 18 HG12 VAL 18 -5.003 -13.887 15.553 139 HG13 VAL 18 HG13 VAL 18 -4.007 -12.457 15.279 140 HG21 VAL 18 HG21 VAL 18 -2.688 -13.449 12.019 141 HG22 VAL 18 HG22 VAL 18 -1.956 -14.294 13.382 142 HG23 VAL 18 HG23 VAL 18 -2.306 -12.569 13.499 143 H CYS 19 HN CYS 19 -6.402 -14.374 12.237 144 HA CYS 19 HA CYS 19 -8.387 -15.047 14.256 145 HB2 CYS 19 HB2 CYS 19 -8.961 -14.174 11.421 146 HB3 CYS 19 HB1 CYS 19 -9.885 -13.828 12.887 147 H GLY 20 HN GLY 20 -7.122 -16.589 11.402 148 HA2 GLY 20 HA2 GLY 20 -7.757 -18.579 10.320 149 HA3 GLY 20 HA1 GLY 20 -8.357 -19.076 11.906 150 H GLU 21 HN GLU 21 -10.522 -19.449 11.999 151 HA GLU 21 HA GLU 21 -12.228 -18.556 9.769 152 HB2 GLU 21 HB2 GLU 21 -12.840 -20.216 12.233 153 HB3 GLU 21 HB1 GLU 21 -13.981 -19.898 10.925 154 HG2 GLU 21 HG2 GLU 21 -12.525 -21.012 9.321 155 HG3 GLU 21 HG1 GLU 21 -11.285 -21.235 10.556 156 H ARG 22 HN ARG 22 -11.536 -17.599 13.044 157 HA ARG 22 HA ARG 22 -13.925 -16.268 13.740 158 HB2 ARG 22 HB2 ARG 22 -11.144 -15.203 14.294 159 HB3 ARG 22 HB1 ARG 22 -12.600 -14.951 15.256 160 HG2 ARG 22 HG2 ARG 22 -12.679 -17.478 15.570 161 HG3 ARG 22 HG1 ARG 22 -11.058 -17.526 14.877 162 HD2 ARG 22 HD2 ARG 22 -10.689 -17.410 17.214 163 HD3 ARG 22 HD1 ARG 22 -10.444 -15.756 16.655 164 HE ARG 22 HE ARG 22 -13.138 -15.855 17.321 165 HH11 ARG 22 HH11 ARG 22 -13.896 -15.351 19.390 166 HH12 ARG 22 HH12 ARG 22 -12.832 -15.503 20.748 167 HH21 ARG 22 HH21 ARG 22 -10.137 -16.584 18.853 168 HH22 ARG 22 HH22 ARG 22 -10.703 -16.200 20.444 169 H GLY 23 HN GLY 23 -11.268 -15.220 11.638 170 HA2 GLY 23 HA2 GLY 23 -11.312 -13.594 9.933 171 HA3 GLY 23 HA1 GLY 23 -13.033 -13.384 10.243 172 H PHE 24 HN PHE 24 -11.360 -11.212 9.733 173 HA PHE 24 HA PHE 24 -11.545 -9.704 12.307 174 HB2 PHE 24 HB2 PHE 24 -9.415 -8.541 11.743 175 HB3 PHE 24 HB1 PHE 24 -9.181 -10.254 12.044 176 HD1 PHE 24 HD1 PHE 24 -9.277 -11.851 9.993 177 HD2 PHE 24 HD2 PHE 24 -8.673 -7.604 9.730 178 HE1 PHE 24 HE1 PHE 24 -8.334 -12.135 7.714 179 HE2 PHE 24 HE2 PHE 24 -7.729 -7.889 7.441 180 HZ PHE 24 HZ PHE 24 -7.575 -10.152 6.450 181 H PHE 25 HN PHE 25 -11.313 -7.221 11.663 182 HA PHE 25 HA PHE 25 -12.894 -6.812 9.150 183 HB2 PHE 25 HB2 PHE 25 -13.958 -5.005 10.229 184 HB3 PHE 25 HB1 PHE 25 -13.841 -6.244 11.480 185 HD1 PHE 25 HD1 PHE 25 -12.858 -2.937 10.467 186 HD2 PHE 25 HD2 PHE 25 -11.947 -6.128 13.164 187 HE1 PHE 25 HE1 PHE 25 -11.544 -1.361 11.864 188 HE2 PHE 25 HE2 PHE 25 -10.631 -4.567 14.565 189 HZ PHE 25 HZ PHE 25 -10.427 -2.183 13.920 190 H TYR 26 HN TYR 26 -11.799 -5.840 7.519 191 HA TYR 26 HA TYR 26 -9.395 -4.171 8.169 192 HB2 TYR 26 HB2 TYR 26 -9.360 -6.263 6.535 193 HB3 TYR 26 HB1 TYR 26 -10.032 -5.119 5.376 194 HD1 TYR 26 HD1 TYR 26 -7.200 -5.694 7.705 195 HD2 TYR 26 HD2 TYR 26 -8.636 -3.456 4.341 196 HE1 TYR 26 HE1 TYR 26 -4.924 -4.806 7.335 197 HE2 TYR 26 HE2 TYR 26 -6.349 -2.539 3.985 198 HH TYR 26 HH TYR 26 -3.760 -3.120 6.278 199 H THR 27 HN THR 27 -9.134 -2.290 6.519 200 HA THR 27 HA THR 27 -11.538 -0.701 6.611 201 HB THR 27 HB THR 27 -9.463 0.481 6.733 202 HG1 THR 27 HG1 THR 27 -9.551 1.748 4.762 203 HG21 THR 27 HG21 THR 27 -8.774 -1.064 4.231 204 HG22 THR 27 HG22 THR 27 -7.956 -1.113 5.792 205 HG23 THR 27 HG23 THR 27 -7.841 0.326 4.779 206 HA PRO 28 HA PRO 28 -13.448 -2.069 2.845 207 HB2 PRO 28 HB2 PRO 28 -14.238 0.566 1.934 208 HB3 PRO 28 HB1 PRO 28 -15.241 -0.642 2.747 209 HG2 PRO 28 HG2 PRO 28 -14.095 1.816 3.850 210 HG3 PRO 28 HG1 PRO 28 -15.274 0.721 4.588 211 HD2 PRO 28 HD2 PRO 28 -12.554 0.998 5.353 212 HD3 PRO 28 HD1 PRO 28 -13.663 -0.289 5.848 213 H ARG 29 HN ARG 29 -12.413 1.168 1.845 214 HA ARG 29 HA ARG 29 -10.075 0.171 0.405 215 HB2 ARG 29 HB2 ARG 29 -11.042 0.958 -1.829 216 HB3 ARG 29 HB1 ARG 29 -11.675 -0.565 -1.211 217 HG2 ARG 29 HG2 ARG 29 -13.189 1.817 -0.274 218 HG3 ARG 29 HG1 ARG 29 -13.239 1.588 -2.018 219 HD2 ARG 29 HD2 ARG 29 -13.920 -0.585 -0.004 220 HD3 ARG 29 HD1 ARG 29 -15.105 0.431 -0.821 221 HE ARG 29 HE ARG 29 -13.600 -0.644 -2.892 222 HH11 ARG 29 HH11 ARG 29 -14.160 -2.581 -3.914 223 HH12 ARG 29 HH12 ARG 29 -15.116 -3.749 -3.064 224 HH21 ARG 29 HH21 ARG 29 -15.360 -1.841 -0.179 225 HH22 ARG 29 HH22 ARG 29 -15.796 -3.330 -0.950 226 H THR 30 HN THR 30 -11.724 2.514 2.010 227 HA THR 30 HA THR 30 -10.604 4.830 0.563 228 HB THR 30 HB THR 30 -12.629 5.542 1.404 229 HG1 THR 30 HG1 THR 30 -11.959 6.119 3.850 230 HG21 THR 30 HG21 THR 30 -13.360 3.495 2.367 231 HG22 THR 30 HG22 THR 30 -13.479 4.697 3.653 232 HG23 THR 30 HG23 THR 30 -12.127 3.564 3.626 233 H GLU 31 HN GLU 31 -8.631 5.636 1.041 234 HA GLU 31 HA GLU 31 -7.120 4.541 3.298 235 HB2 GLU 31 HB2 GLU 31 -5.292 5.998 2.450 236 HB3 GLU 31 HB1 GLU 31 -5.968 4.980 1.178 237 HG2 GLU 31 HG2 GLU 31 -7.503 6.961 0.624 238 HG3 GLU 31 HG1 GLU 31 -6.452 7.925 1.661 239 H GLU 32 HN GLU 32 -9.412 6.926 3.052 240 HA GLU 32 HA GLU 32 -8.360 9.135 4.455 241 HB2 GLU 32 HB2 GLU 32 -11.131 7.968 4.838 242 HB3 GLU 32 HB1 GLU 32 -10.643 9.640 5.107 243 HG2 GLU 32 HG2 GLU 32 -10.485 8.239 2.423 244 HG3 GLU 32 HG1 GLU 32 -11.816 9.285 2.916 245 H GLY 33 HN GLY 33 -9.869 6.197 5.748 246 HA2 GLY 33 HA2 GLY 33 -9.691 5.179 7.850 247 HA3 GLY 33 HA1 GLY 33 -8.111 5.945 7.966 248 H SER 34 HN SER 34 -10.371 5.594 9.939 249 HA SER 34 HA SER 34 -10.877 8.455 10.647 250 HB2 SER 34 HB2 SER 34 -12.690 7.552 12.029 251 HB3 SER 34 HB1 SER 34 -12.873 7.008 10.377 252 HG SER 34 HG SER 34 -13.120 5.288 11.835 253 H ARG 35 HN ARG 35 -11.408 6.178 13.073 254 HA ARG 35 HA ARG 35 -9.037 7.150 14.584 255 HB2 ARG 35 HB2 ARG 35 -10.259 5.683 16.435 256 HB3 ARG 35 HB1 ARG 35 -10.864 7.286 16.027 257 HG2 ARG 35 HG2 ARG 35 -12.491 6.255 14.468 258 HG3 ARG 35 HG1 ARG 35 -11.898 4.660 14.915 259 HD2 ARG 35 HD2 ARG 35 -12.427 5.497 17.372 260 HD3 ARG 35 HD1 ARG 35 -13.518 6.602 16.538 261 HE ARG 35 HE ARG 35 -14.029 3.855 17.063 262 HH11 ARG 35 HH11 ARG 35 -15.388 2.564 15.828 263 HH12 ARG 35 HH12 ARG 35 -15.897 3.108 14.265 264 HH21 ARG 35 HH21 ARG 35 -14.170 6.099 14.441 265 HH22 ARG 35 HH22 ARG 35 -15.201 5.099 13.480 266 H ARG 36 HN ARG 36 -10.630 4.004 13.943 267 HA ARG 36 HA ARG 36 -8.420 2.435 14.825 268 HB2 ARG 36 HB2 ARG 36 -10.523 1.709 12.763 269 HB3 ARG 36 HB1 ARG 36 -9.509 0.577 13.658 270 HG2 ARG 36 HG2 ARG 36 -10.496 1.689 15.778 271 HG3 ARG 36 HG1 ARG 36 -11.727 2.338 14.702 272 HD2 ARG 36 HD2 ARG 36 -11.921 -0.167 13.891 273 HD3 ARG 36 HD1 ARG 36 -11.191 -0.527 15.453 274 HE ARG 36 HE ARG 36 -13.925 0.133 15.007 275 HH11 ARG 36 HH11 ARG 36 -15.262 1.065 16.549 276 HH12 ARG 36 HH12 ARG 36 -14.568 1.767 17.973 277 HH21 ARG 36 HH21 ARG 36 -11.312 1.001 17.091 278 HH22 ARG 36 HH22 ARG 36 -12.336 1.741 18.271 279 H SER 37 HN SER 37 -8.560 0.891 12.111 280 HA SER 37 HA SER 37 -7.123 0.671 10.280 281 HB2 SER 37 HB2 SER 37 -8.341 2.309 9.155 282 HB3 SER 37 HB1 SER 37 -7.866 3.583 10.271 283 HG SER 37 HG SER 37 -6.764 3.663 8.233 284 H ARG 38 HN ARG 38 -5.958 3.875 11.358 285 HA ARG 38 HA ARG 38 -3.214 3.178 11.091 286 HB2 ARG 38 HB2 ARG 38 -2.864 5.136 12.720 287 HB3 ARG 38 HB1 ARG 38 -3.724 5.504 11.226 288 HG2 ARG 38 HG2 ARG 38 -5.844 5.474 12.315 289 HG3 ARG 38 HG1 ARG 38 -5.173 4.750 13.769 290 HD2 ARG 38 HD2 ARG 38 -4.681 7.544 12.720 291 HD3 ARG 38 HD1 ARG 38 -5.539 7.117 14.193 292 HE ARG 38 HE ARG 38 -2.709 7.512 13.912 293 HH11 ARG 38 HH11 ARG 38 -1.196 6.670 15.331 294 HH12 ARG 38 HH12 ARG 38 -1.667 5.439 16.454 295 HH21 ARG 38 HH21 ARG 38 -4.962 5.356 15.400 296 HH22 ARG 38 HH22 ARG 38 -3.791 4.694 16.488 297 H GLY 39 HN GLY 39 -5.523 2.275 13.433 298 HA2 GLY 39 HA2 GLY 39 -3.576 1.790 15.580 299 HA3 GLY 39 HA1 GLY 39 -5.281 1.329 15.599 300 H ILE 40 HN ILE 40 -5.162 0.016 12.987 301 HA ILE 40 HA ILE 40 -3.860 -2.509 13.860 302 HB ILE 40 HB ILE 40 -6.381 -2.145 13.181 303 HG12 ILE 40 HG12 ILE 40 -6.000 -4.340 13.748 304 HG13 ILE 40 HG11 ILE 40 -6.309 -4.558 12.044 305 HG21 ILE 40 HG21 ILE 40 -5.855 -1.157 10.984 306 HG22 ILE 40 HG22 ILE 40 -6.890 -2.573 10.858 307 HG23 ILE 40 HG23 ILE 40 -5.181 -2.697 10.461 308 HD11 ILE 40 HD11 ILE 40 -4.389 -5.856 12.424 309 HD12 ILE 40 HD12 ILE 40 -3.661 -4.679 13.499 310 HD13 ILE 40 HD13 ILE 40 -3.724 -4.375 11.768 311 H VAL 41 HN VAL 41 -4.213 -0.554 10.842 312 HA VAL 41 HA VAL 41 -2.248 -2.100 9.416 313 HB VAL 41 HB VAL 41 -2.921 0.778 8.795 314 HG11 VAL 41 HG11 VAL 41 -1.135 -0.379 7.493 315 HG12 VAL 41 HG12 VAL 41 -2.528 0.034 6.494 316 HG13 VAL 41 HG13 VAL 41 -2.300 -1.625 7.046 317 HG21 VAL 41 HG21 VAL 41 -4.755 -0.351 7.336 318 HG22 VAL 41 HG22 VAL 41 -5.080 -0.148 9.054 319 HG23 VAL 41 HG23 VAL 41 -4.582 -1.721 8.433 320 H GLU 42 HN GLU 42 -1.904 1.312 10.515 321 HA GLU 42 HA GLU 42 0.893 1.374 10.082 322 HB2 GLU 42 HB2 GLU 42 -0.722 2.932 12.114 323 HB3 GLU 42 HB1 GLU 42 0.922 3.317 11.617 324 HG2 GLU 42 HG2 GLU 42 -1.359 3.081 9.645 325 HG3 GLU 42 HG1 GLU 42 -0.925 4.607 10.417 326 H GLN 43 HN GLN 43 -0.817 0.803 13.191 327 HA GLN 43 HA GLN 43 1.334 0.410 14.881 328 HB2 GLN 43 HB2 GLN 43 -1.102 0.163 15.474 329 HB3 GLN 43 HB1 GLN 43 -1.047 -1.462 14.788 330 HG2 GLN 43 HG2 GLN 43 0.832 -1.996 16.367 331 HG3 GLN 43 HG1 GLN 43 0.588 -0.417 17.117 332 HE21 GLN 43 HE21 GLN 43 -1.659 -3.033 16.019 333 HE22 GLN 43 HE22 GLN 43 -2.525 -3.094 17.477 334 H CYS 44 HN CYS 44 -0.003 -2.078 12.681 335 HA CYS 44 HA CYS 44 2.189 -3.911 13.327 336 HB2 CYS 44 HB2 CYS 44 -0.128 -4.034 11.376 337 HB3 CYS 44 HB1 CYS 44 1.047 -5.325 11.571 338 H CYS 45 HN CYS 45 1.110 -2.170 10.426 339 HA CYS 45 HA CYS 45 3.311 -2.892 8.768 340 HB2 CYS 45 HB2 CYS 45 1.219 -1.892 7.910 341 HB3 CYS 45 HB1 CYS 45 1.615 -0.382 8.723 342 H ARG 46 HN ARG 46 2.825 0.143 10.637 343 HA ARG 46 HA ARG 46 5.481 1.089 10.028 344 HB2 ARG 46 HB2 ARG 46 3.777 2.684 10.694 345 HB3 ARG 46 HB1 ARG 46 3.545 1.868 12.227 346 HG2 ARG 46 HG2 ARG 46 4.950 3.944 12.385 347 HG3 ARG 46 HG1 ARG 46 5.736 2.493 12.998 348 HD2 ARG 46 HD2 ARG 46 7.125 4.021 11.475 349 HD3 ARG 46 HD1 ARG 46 7.127 2.311 11.086 350 HE ARG 46 HE ARG 46 5.035 3.341 9.577 351 HH11 ARG 46 HH11 ARG 46 5.324 4.111 7.472 352 HH12 ARG 46 HH12 ARG 46 6.887 4.665 6.973 353 HH21 ARG 46 HH21 ARG 46 8.385 4.018 10.034 354 HH22 ARG 46 HH22 ARG 46 8.621 4.613 8.424 355 H SER 47 HN SER 47 4.089 -0.685 12.774 356 HA SER 47 HA SER 47 6.902 -1.204 13.721 357 HB2 SER 47 HB2 SER 47 4.456 -0.963 15.492 358 HB3 SER 47 HB1 SER 47 6.130 -1.140 16.007 359 HG SER 47 HG SER 47 4.895 1.082 15.681 360 H ILE 48 HN ILE 48 7.327 -3.329 14.367 361 HA ILE 48 HA ILE 48 5.644 -5.380 13.231 362 HB ILE 48 HB ILE 48 7.863 -5.735 15.265 363 HG12 ILE 48 HG12 ILE 48 7.983 -5.391 12.253 364 HG13 ILE 48 HG11 ILE 48 8.686 -4.317 13.463 365 HG21 ILE 48 HG21 ILE 48 6.338 -7.688 14.582 366 HG22 ILE 48 HG22 ILE 48 8.072 -7.933 14.371 367 HG23 ILE 48 HG23 ILE 48 7.060 -7.546 12.980 368 HD11 ILE 48 HD11 ILE 48 9.507 -7.155 12.812 369 HD12 ILE 48 HD12 ILE 48 10.054 -6.310 14.260 370 HD13 ILE 48 HD13 ILE 48 10.478 -5.692 12.665 371 H CYS 49 HN CYS 49 3.610 -5.456 14.173 372 HA CYS 49 HA CYS 49 3.305 -5.389 17.095 373 HB2 CYS 49 HB2 CYS 49 0.920 -5.524 16.641 374 HB3 CYS 49 HB1 CYS 49 1.633 -4.360 15.534 375 H SER 50 HN SER 50 2.770 -7.159 18.391 376 HA SER 50 HA SER 50 3.628 -9.759 17.440 377 HB2 SER 50 HB2 SER 50 2.094 -9.214 19.986 378 HB3 SER 50 HB1 SER 50 3.240 -10.513 19.668 379 HG SER 50 HG SER 50 4.335 -8.963 20.798 380 H LEU 51 HN LEU 51 2.233 -11.711 17.536 381 HA LEU 51 HA LEU 51 -0.104 -11.485 15.964 382 HB2 LEU 51 HB2 LEU 51 0.427 -13.690 17.972 383 HB3 LEU 51 HB1 LEU 51 -0.516 -13.800 16.487 384 HG LEU 51 HG LEU 51 2.463 -13.244 16.637 385 HD11 LEU 51 HD11 LEU 51 2.736 -15.492 15.760 386 HD12 LEU 51 HD12 LEU 51 0.989 -15.705 15.656 387 HD13 LEU 51 HD13 LEU 51 1.769 -15.578 17.233 388 HD21 LEU 51 HD21 LEU 51 2.184 -13.781 14.103 389 HD22 LEU 51 HD22 LEU 51 1.695 -12.185 14.667 390 HD23 LEU 51 HD23 LEU 51 0.476 -13.425 14.366 391 H TYR 52 HN TYR 52 0.305 -11.399 19.474 392 HA TYR 52 HA TYR 52 -2.326 -11.741 20.349 393 HB2 TYR 52 HB2 TYR 52 -0.164 -11.160 21.695 394 HB3 TYR 52 HB1 TYR 52 -0.635 -9.485 21.438 395 HD1 TYR 52 HD1 TYR 52 -2.965 -8.763 22.146 396 HD2 TYR 52 HD2 TYR 52 -1.214 -12.481 23.368 397 HE1 TYR 52 HE1 TYR 52 -4.605 -8.919 24.003 398 HE2 TYR 52 HE2 TYR 52 -2.849 -12.644 25.227 399 HH TYR 52 HH TYR 52 -5.313 -11.634 25.599 400 H GLN 53 HN GLN 53 -0.839 -8.646 19.325 401 HA GLN 53 HA GLN 53 -3.225 -7.096 19.447 402 HB2 GLN 53 HB2 GLN 53 -0.887 -6.781 17.535 403 HB3 GLN 53 HB1 GLN 53 -2.061 -5.532 17.956 404 HG2 GLN 53 HG2 GLN 53 -1.343 -5.593 20.292 405 HG3 GLN 53 HG1 GLN 53 -0.230 -6.915 19.939 406 HE21 GLN 53 HE21 GLN 53 -0.905 -3.515 18.945 407 HE22 GLN 53 HE22 GLN 53 0.717 -3.132 18.627 408 H LEU 54 HN LEU 54 -1.746 -8.773 16.636 409 HA LEU 54 HA LEU 54 -3.815 -8.208 14.799 410 HB2 LEU 54 HB2 LEU 54 -2.104 -10.667 14.999 411 HB3 LEU 54 HB1 LEU 54 -3.065 -10.226 13.592 412 HG LEU 54 HG LEU 54 -0.885 -8.519 14.805 413 HD11 LEU 54 HD11 LEU 54 -0.229 -10.724 13.603 414 HD12 LEU 54 HD12 LEU 54 0.544 -9.240 13.056 415 HD13 LEU 54 HD13 LEU 54 -0.791 -9.927 12.133 416 HD21 LEU 54 HD21 LEU 54 -1.203 -7.449 12.400 417 HD22 LEU 54 HD22 LEU 54 -2.267 -6.983 13.718 418 HD23 LEU 54 HD23 LEU 54 -2.812 -8.158 12.521 419 H GLU 55 HN GLU 55 -3.544 -10.504 17.355 420 HA GLU 55 HA GLU 55 -5.910 -12.027 16.648 421 HB2 GLU 55 HB2 GLU 55 -3.885 -12.750 18.125 422 HB3 GLU 55 HB1 GLU 55 -4.747 -11.912 19.412 423 HG2 GLU 55 HG2 GLU 55 -6.794 -13.317 18.724 424 HG3 GLU 55 HG1 GLU 55 -5.654 -14.308 17.813 425 H ASN 56 HN ASN 56 -5.404 -8.979 17.924 426 HA ASN 56 HA ASN 56 -7.665 -8.930 19.776 427 HB2 ASN 56 HB2 ASN 56 -5.518 -7.472 19.800 428 HB3 ASN 56 HB1 ASN 56 -6.333 -6.501 18.576 429 HD21 ASN 56 HD21 ASN 56 -5.670 -5.662 21.340 430 HD22 ASN 56 HD22 ASN 56 -7.144 -5.288 22.091 431 H TYR 57 HN TYR 57 -7.231 -8.373 16.364 432 HA TYR 57 HA TYR 57 -9.865 -6.996 16.157 433 HB2 TYR 57 HB2 TYR 57 -8.000 -7.605 13.868 434 HB3 TYR 57 HB1 TYR 57 -9.149 -6.284 14.027 435 HD1 TYR 57 HD1 TYR 57 -8.674 -4.402 15.673 436 HD2 TYR 57 HD2 TYR 57 -5.836 -7.462 14.767 437 HE1 TYR 57 HE1 TYR 57 -6.881 -3.009 16.643 438 HE2 TYR 57 HE2 TYR 57 -4.017 -6.079 15.747 439 HH TYR 57 HH TYR 57 -4.539 -3.528 17.733 440 H CYS 58 HN CYS 58 -8.613 -10.111 16.042 441 HA CYS 58 HA CYS 58 -10.045 -11.279 13.890 442 HB2 CYS 58 HB2 CYS 58 -9.176 -12.454 16.536 443 HB3 CYS 58 HB1 CYS 58 -9.770 -13.398 15.175 444 H GLY 59 HN GLY 59 -12.151 -10.501 13.794 445 HA2 GLY 59 HA2 GLY 59 -13.981 -10.241 15.926 446 HA3 GLY 59 HA1 GLY 59 -14.457 -10.578 14.262 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 5.861 -16.329 10.346 2 H2 PHE 1 HT2 PHE 1 4.219 -15.940 10.147 3 H3 PHE 1 HT3 PHE 1 4.684 -17.126 11.270 4 HA PHE 1 HA PHE 1 4.956 -14.199 11.439 5 HB2 PHE 1 HB2 PHE 1 3.757 -16.448 13.024 6 HB3 PHE 1 HB1 PHE 1 4.321 -15.036 13.912 7 HD1 PHE 1 HD1 PHE 1 1.502 -16.422 12.407 8 HD2 PHE 1 HD2 PHE 1 3.642 -12.698 12.663 9 HE1 PHE 1 HE1 PHE 1 -0.568 -15.194 11.839 10 HE2 PHE 1 HE2 PHE 1 1.565 -11.466 12.089 11 HZ PHE 1 HZ PHE 1 -0.547 -12.719 11.689 12 H VAL 2 HN VAL 2 6.781 -13.339 12.275 13 HA VAL 2 HA VAL 2 8.525 -14.912 14.058 14 HB VAL 2 HB VAL 2 10.528 -14.130 12.530 15 HG11 VAL 2 HG11 VAL 2 9.838 -16.497 12.968 16 HG12 VAL 2 HG12 VAL 2 10.490 -16.241 11.350 17 HG13 VAL 2 HG13 VAL 2 8.750 -16.389 11.584 18 HG21 VAL 2 HG21 VAL 2 8.887 -12.837 11.051 19 HG22 VAL 2 HG22 VAL 2 8.359 -14.403 10.439 20 HG23 VAL 2 HG23 VAL 2 10.029 -13.882 10.209 21 H ASN 3 HN ASN 3 10.017 -12.358 12.378 22 HA ASN 3 HA ASN 3 9.115 -10.301 14.341 23 HB2 ASN 3 HB2 ASN 3 12.052 -10.732 13.767 24 HB3 ASN 3 HB1 ASN 3 11.315 -9.773 15.053 25 HD21 ASN 3 HD21 ASN 3 11.387 -13.197 13.899 26 HD22 ASN 3 HD22 ASN 3 11.355 -13.872 15.456 27 H GLN 4 HN GLN 4 8.053 -9.535 12.342 28 HA GLN 4 HA GLN 4 9.856 -7.747 10.821 29 HB2 GLN 4 HB2 GLN 4 8.799 -8.516 8.654 30 HB3 GLN 4 HB1 GLN 4 9.874 -9.699 9.399 31 HG2 GLN 4 HG2 GLN 4 7.910 -10.815 10.425 32 HG3 GLN 4 HG1 GLN 4 6.847 -9.661 9.624 33 HE21 GLN 4 HE21 GLN 4 8.320 -12.702 9.258 34 HE22 GLN 4 HE22 GLN 4 8.117 -12.872 7.581 35 H HIS 5 HN HIS 5 8.513 -6.252 9.413 36 HA HIS 5 HA HIS 5 6.083 -5.455 10.919 37 HB2 HIS 5 HB2 HIS 5 6.502 -3.559 8.874 38 HB3 HIS 5 HB1 HIS 5 7.020 -3.403 10.547 39 HD2 HIS 5 HD2 HIS 5 9.684 -5.091 10.757 40 HE1 HIS 5 HE1 HIS 5 10.896 -3.299 7.136 41 HE2 HIS 5 HE2 HIS 5 11.690 -4.571 9.187 42 H LEU 6 HN LEU 6 4.089 -5.901 10.161 43 HA LEU 6 HA LEU 6 3.782 -7.200 7.531 44 HB2 LEU 6 HB2 LEU 6 2.154 -6.818 9.996 45 HB3 LEU 6 HB1 LEU 6 1.252 -6.922 8.497 46 HG LEU 6 HG LEU 6 2.072 -9.110 8.026 47 HD11 LEU 6 HD11 LEU 6 4.335 -9.233 8.442 48 HD12 LEU 6 HD12 LEU 6 3.756 -10.075 9.873 49 HD13 LEU 6 HD13 LEU 6 4.214 -8.376 9.978 50 HD21 LEU 6 HD21 LEU 6 1.509 -8.824 10.982 51 HD22 LEU 6 HD22 LEU 6 1.548 -10.352 10.123 52 HD23 LEU 6 HD23 LEU 6 0.340 -9.149 9.709 53 H CYS 7 HN CYS 7 3.505 -5.920 5.733 54 HA CYS 7 HA CYS 7 1.871 -3.427 6.032 55 HB2 CYS 7 HB2 CYS 7 4.339 -3.792 4.324 56 HB3 CYS 7 HB1 CYS 7 3.351 -2.333 4.418 57 H GLY 8 HN GLY 8 0.154 -3.404 4.796 58 HA2 GLY 8 HA2 GLY 8 -1.345 -3.868 3.082 59 HA3 GLY 8 HA1 GLY 8 0.063 -4.065 2.040 60 H SER 9 HN SER 9 -0.399 -5.918 0.951 61 HA SER 9 HA SER 9 -1.910 -8.109 1.644 62 HB2 SER 9 HB2 SER 9 0.759 -8.274 0.221 63 HB3 SER 9 HB1 SER 9 -0.561 -9.435 0.105 64 HG SER 9 HG SER 9 -0.630 -6.694 -0.650 65 H HIS 10 HN HIS 10 1.333 -7.384 2.839 66 HA HIS 10 HA HIS 10 1.885 -9.953 3.946 67 HB2 HIS 10 HB2 HIS 10 3.327 -7.693 3.717 68 HB3 HIS 10 HB1 HIS 10 2.812 -7.498 5.385 69 HD2 HIS 10 HD2 HIS 10 3.159 -10.546 6.505 70 HE1 HIS 10 HE1 HIS 10 7.063 -10.381 4.899 71 HE2 HIS 10 HE2 HIS 10 5.529 -11.617 6.506 72 H LEU 11 HN LEU 11 0.003 -7.213 5.103 73 HA LEU 11 HA LEU 11 -0.383 -8.274 7.757 74 HB2 LEU 11 HB2 LEU 11 -0.621 -5.849 7.214 75 HB3 LEU 11 HB1 LEU 11 -2.018 -6.234 6.226 76 HG LEU 11 HG LEU 11 -3.310 -6.833 8.091 77 HD11 LEU 11 HD11 LEU 11 -2.269 -6.790 10.453 78 HD12 LEU 11 HD12 LEU 11 -0.727 -6.952 9.632 79 HD13 LEU 11 HD13 LEU 11 -1.952 -8.207 9.455 80 HD21 LEU 11 HD21 LEU 11 -1.840 -4.616 9.442 81 HD22 LEU 11 HD22 LEU 11 -3.557 -4.785 9.084 82 HD23 LEU 11 HD23 LEU 11 -2.444 -4.304 7.813 83 H VAL 12 HN VAL 12 -2.499 -8.089 4.903 84 HA VAL 12 HA VAL 12 -4.632 -9.607 5.981 85 HB VAL 12 HB VAL 12 -3.567 -9.392 3.148 86 HG11 VAL 12 HG11 VAL 12 -5.161 -10.830 2.373 87 HG12 VAL 12 HG12 VAL 12 -6.422 -10.068 3.333 88 HG13 VAL 12 HG13 VAL 12 -5.434 -11.340 4.032 89 HG21 VAL 12 HG21 VAL 12 -4.364 -7.325 4.318 90 HG22 VAL 12 HG22 VAL 12 -5.952 -8.076 4.471 91 HG23 VAL 12 HG23 VAL 12 -5.294 -7.723 2.873 92 H GLU 13 HN GLU 13 -2.015 -10.733 3.849 93 HA GLU 13 HA GLU 13 -2.438 -13.457 3.925 94 HB2 GLU 13 HB2 GLU 13 0.206 -11.987 4.085 95 HB3 GLU 13 HB1 GLU 13 0.057 -13.710 3.733 96 HG2 GLU 13 HG2 GLU 13 -1.066 -13.321 1.690 97 HG3 GLU 13 HG1 GLU 13 -1.462 -11.659 2.127 98 H ALA 14 HN ALA 14 -1.245 -11.452 6.567 99 HA ALA 14 HA ALA 14 -0.539 -13.840 8.166 100 HB1 ALA 14 HB1 ALA 14 -0.714 -11.201 9.527 101 HB2 ALA 14 HB2 ALA 14 0.394 -11.254 8.161 102 HB3 ALA 14 HB3 ALA 14 0.605 -12.372 9.503 103 H LEU 15 HN LEU 15 -2.808 -11.083 8.652 104 HA LEU 15 HA LEU 15 -4.250 -12.095 10.801 105 HB2 LEU 15 HB2 LEU 15 -5.172 -10.517 8.404 106 HB3 LEU 15 HB1 LEU 15 -6.279 -10.926 9.707 107 HG LEU 15 HG LEU 15 -3.647 -9.641 10.408 108 HD11 LEU 15 HD11 LEU 15 -4.882 -8.310 8.549 109 HD12 LEU 15 HD12 LEU 15 -4.427 -7.449 10.015 110 HD13 LEU 15 HD13 LEU 15 -6.087 -7.974 9.784 111 HD21 LEU 15 HD21 LEU 15 -5.155 -10.495 12.189 112 HD22 LEU 15 HD22 LEU 15 -6.449 -9.471 11.571 113 HD23 LEU 15 HD23 LEU 15 -5.002 -8.743 12.260 114 H TYR 16 HN TYR 16 -4.540 -12.974 7.396 115 HA TYR 16 HA TYR 16 -6.901 -14.480 7.453 116 HB2 TYR 16 HB2 TYR 16 -6.003 -14.291 5.317 117 HB3 TYR 16 HB1 TYR 16 -4.361 -14.551 5.878 118 HD1 TYR 16 HD1 TYR 16 -3.460 -16.427 4.803 119 HD2 TYR 16 HD2 TYR 16 -7.508 -16.574 6.237 120 HE1 TYR 16 HE1 TYR 16 -3.598 -18.811 4.160 121 HE2 TYR 16 HE2 TYR 16 -7.649 -18.963 5.584 122 HH TYR 16 HH TYR 16 -5.003 -20.843 4.913 123 H LEU 17 HN LEU 17 -3.622 -15.439 8.457 124 HA LEU 17 HA LEU 17 -4.451 -18.141 9.183 125 HB2 LEU 17 HB2 LEU 17 -1.949 -16.528 9.779 126 HB3 LEU 17 HB1 LEU 17 -2.188 -18.183 10.321 127 HG LEU 17 HG LEU 17 -2.690 -18.677 7.781 128 HD11 LEU 17 HD11 LEU 17 -1.340 -17.192 6.295 129 HD12 LEU 17 HD12 LEU 17 -1.094 -16.105 7.659 130 HD13 LEU 17 HD13 LEU 17 -2.713 -16.356 7.013 131 HD21 LEU 17 HD21 LEU 17 -0.744 -19.551 9.026 132 HD22 LEU 17 HD22 LEU 17 0.109 -18.030 8.761 133 HD23 LEU 17 HD23 LEU 17 -0.281 -19.071 7.392 134 H VAL 18 HN VAL 18 -3.534 -15.216 10.979 135 HA VAL 18 HA VAL 18 -3.936 -16.108 13.606 136 HB VAL 18 HB VAL 18 -4.825 -13.412 12.554 137 HG11 VAL 18 HG11 VAL 18 -3.614 -14.151 15.212 138 HG12 VAL 18 HG12 VAL 18 -5.351 -14.028 14.931 139 HG13 VAL 18 HG13 VAL 18 -4.324 -12.606 14.747 140 HG21 VAL 18 HG21 VAL 18 -2.054 -14.303 13.402 141 HG22 VAL 18 HG22 VAL 18 -2.514 -12.661 12.958 142 HG23 VAL 18 HG23 VAL 18 -2.544 -13.941 11.746 143 H CYS 19 HN CYS 19 -6.351 -14.549 11.502 144 HA CYS 19 HA CYS 19 -8.554 -15.203 13.292 145 HB2 CYS 19 HB2 CYS 19 -8.802 -14.310 10.417 146 HB3 CYS 19 HB1 CYS 19 -9.869 -13.952 11.781 147 H GLY 20 HN GLY 20 -7.015 -16.725 10.558 148 HA2 GLY 20 HA2 GLY 20 -7.582 -18.666 9.350 149 HA3 GLY 20 HA1 GLY 20 -8.257 -19.219 10.886 150 H GLU 21 HN GLU 21 -10.443 -19.491 10.968 151 HA GLU 21 HA GLU 21 -12.041 -18.719 8.623 152 HB2 GLU 21 HB2 GLU 21 -12.995 -20.086 11.149 153 HB3 GLU 21 HB1 GLU 21 -13.766 -20.098 9.563 154 HG2 GLU 21 HG2 GLU 21 -12.654 -22.188 9.678 155 HG3 GLU 21 HG1 GLU 21 -11.578 -21.180 8.711 156 H ARG 22 HN ARG 22 -11.542 -17.600 11.899 157 HA ARG 22 HA ARG 22 -13.949 -16.197 12.342 158 HB2 ARG 22 HB2 ARG 22 -11.097 -15.538 13.107 159 HB3 ARG 22 HB1 ARG 22 -12.465 -14.563 13.636 160 HG2 ARG 22 HG2 ARG 22 -13.474 -16.474 14.736 161 HG3 ARG 22 HG1 ARG 22 -12.221 -17.546 14.118 162 HD2 ARG 22 HD2 ARG 22 -10.554 -15.989 15.328 163 HD3 ARG 22 HD1 ARG 22 -11.952 -15.348 16.184 164 HE ARG 22 HE ARG 22 -10.578 -17.797 16.759 165 HH11 ARG 22 HH11 ARG 22 -11.520 -19.524 17.838 166 HH12 ARG 22 HH12 ARG 22 -13.237 -19.561 18.057 167 HH21 ARG 22 HH21 ARG 22 -13.782 -16.549 16.444 168 HH22 ARG 22 HH22 ARG 22 -14.514 -17.884 17.265 169 H GLY 23 HN GLY 23 -11.108 -15.288 10.426 170 HA2 GLY 23 HA2 GLY 23 -10.970 -13.725 8.664 171 HA3 GLY 23 HA1 GLY 23 -12.713 -13.487 8.804 172 H PHE 24 HN PHE 24 -10.927 -11.333 8.432 173 HA PHE 24 HA PHE 24 -11.383 -9.806 10.966 174 HB2 PHE 24 HB2 PHE 24 -9.185 -8.682 10.649 175 HB3 PHE 24 HB1 PHE 24 -9.018 -10.399 10.978 176 HD1 PHE 24 HD1 PHE 24 -8.904 -11.998 8.928 177 HD2 PHE 24 HD2 PHE 24 -8.190 -7.764 8.736 178 HE1 PHE 24 HE1 PHE 24 -7.707 -12.305 6.776 179 HE2 PHE 24 HE2 PHE 24 -6.988 -8.069 6.578 180 HZ PHE 24 HZ PHE 24 -6.766 -10.342 5.611 181 H PHE 25 HN PHE 25 -11.035 -7.342 10.361 182 HA PHE 25 HA PHE 25 -12.376 -6.888 7.724 183 HB2 PHE 25 HB2 PHE 25 -13.479 -5.082 8.714 184 HB3 PHE 25 HB1 PHE 25 -13.353 -6.209 10.062 185 HD1 PHE 25 HD1 PHE 25 -11.937 -3.205 8.530 186 HD2 PHE 25 HD2 PHE 25 -11.950 -5.727 11.979 187 HE1 PHE 25 HE1 PHE 25 -10.659 -1.476 9.777 188 HE2 PHE 25 HE2 PHE 25 -10.671 -4.012 13.237 189 HZ PHE 25 HZ PHE 25 -10.026 -1.886 12.141 190 H TYR 26 HN TYR 26 -11.244 -5.833 6.146 191 HA TYR 26 HA TYR 26 -8.732 -4.370 6.919 192 HB2 TYR 26 HB2 TYR 26 -8.781 -6.566 5.367 193 HB3 TYR 26 HB1 TYR 26 -9.146 -5.382 4.115 194 HD1 TYR 26 HD1 TYR 26 -6.826 -5.794 7.039 195 HD2 TYR 26 HD2 TYR 26 -7.304 -4.425 2.995 196 HE1 TYR 26 HE1 TYR 26 -4.429 -5.196 6.948 197 HE2 TYR 26 HE2 TYR 26 -4.894 -3.805 2.930 198 HH TYR 26 HH TYR 26 -3.108 -3.181 4.753 199 H THR 27 HN THR 27 -8.824 -2.198 6.543 200 HA THR 27 HA THR 27 -9.915 -0.148 5.992 201 HB THR 27 HB THR 27 -8.229 -0.104 4.386 202 HG1 THR 27 HG1 THR 27 -9.267 0.628 2.513 203 HG21 THR 27 HG21 THR 27 -9.712 -2.321 2.953 204 HG22 THR 27 HG22 THR 27 -8.201 -2.473 3.846 205 HG23 THR 27 HG23 THR 27 -8.251 -1.537 2.356 206 HA PRO 28 HA PRO 28 -14.039 -1.844 4.819 207 HB2 PRO 28 HB2 PRO 28 -15.403 -0.432 6.824 208 HB3 PRO 28 HB1 PRO 28 -14.832 -2.096 6.960 209 HG2 PRO 28 HG2 PRO 28 -13.774 0.304 8.288 210 HG3 PRO 28 HG1 PRO 28 -13.414 -1.393 8.621 211 HD2 PRO 28 HD2 PRO 28 -11.765 0.512 7.201 212 HD3 PRO 28 HD1 PRO 28 -11.398 -1.191 7.537 213 H ARG 29 HN ARG 29 -12.583 1.217 4.977 214 HA ARG 29 HA ARG 29 -14.194 2.267 2.837 215 HB2 ARG 29 HB2 ARG 29 -15.115 4.223 4.119 216 HB3 ARG 29 HB1 ARG 29 -15.868 2.681 4.507 217 HG2 ARG 29 HG2 ARG 29 -13.605 3.006 6.275 218 HG3 ARG 29 HG1 ARG 29 -14.519 4.510 6.303 219 HD2 ARG 29 HD2 ARG 29 -15.808 1.796 6.657 220 HD3 ARG 29 HD1 ARG 29 -15.239 2.775 8.008 221 HE ARG 29 HE ARG 29 -16.876 4.503 6.605 222 HH11 ARG 29 HH11 ARG 29 -19.093 4.690 7.018 223 HH12 ARG 29 HH12 ARG 29 -19.946 3.353 7.715 224 HH21 ARG 29 HH21 ARG 29 -17.148 1.313 7.888 225 HH22 ARG 29 HH22 ARG 29 -18.845 1.443 8.207 226 H THR 30 HN THR 30 -11.380 1.918 3.896 227 HA THR 30 HA THR 30 -9.348 3.095 3.780 228 HB THR 30 HB THR 30 -9.161 4.764 2.125 229 HG1 THR 30 HG1 THR 30 -11.040 5.924 3.197 230 HG21 THR 30 HG21 THR 30 -10.028 2.528 1.326 231 HG22 THR 30 HG22 THR 30 -10.375 3.882 0.251 232 HG23 THR 30 HG23 THR 30 -11.641 3.243 1.300 233 H GLU 31 HN GLU 31 -8.239 4.973 4.708 234 HA GLU 31 HA GLU 31 -9.557 5.950 7.090 235 HB2 GLU 31 HB2 GLU 31 -7.082 7.255 5.957 236 HB3 GLU 31 HB1 GLU 31 -7.506 6.945 7.640 237 HG2 GLU 31 HG2 GLU 31 -5.897 5.293 7.271 238 HG3 GLU 31 HG1 GLU 31 -7.378 4.408 6.913 239 H GLU 32 HN GLU 32 -10.391 6.649 4.151 240 HA GLU 32 HA GLU 32 -10.249 9.546 4.059 241 HB2 GLU 32 HB2 GLU 32 -12.049 7.672 2.498 242 HB3 GLU 32 HB1 GLU 32 -11.617 9.324 2.061 243 HG2 GLU 32 HG2 GLU 32 -9.446 7.251 2.451 244 HG3 GLU 32 HG1 GLU 32 -10.333 7.327 0.933 245 H GLY 33 HN GLY 33 -12.438 7.170 5.347 246 HA2 GLY 33 HA2 GLY 33 -14.589 9.182 5.747 247 HA3 GLY 33 HA1 GLY 33 -14.720 7.454 6.071 248 H SER 34 HN SER 34 -14.761 6.949 8.193 249 HA SER 34 HA SER 34 -14.346 8.841 10.276 250 HB2 SER 34 HB2 SER 34 -15.680 6.781 10.565 251 HB3 SER 34 HB1 SER 34 -14.216 5.812 10.416 252 HG SER 34 HG SER 34 -14.889 7.701 12.423 253 H ARG 35 HN ARG 35 -12.569 6.231 11.328 254 HA ARG 35 HA ARG 35 -9.939 7.351 10.473 255 HB2 ARG 35 HB2 ARG 35 -9.205 7.133 12.920 256 HB3 ARG 35 HB1 ARG 35 -10.243 8.504 12.533 257 HG2 ARG 35 HG2 ARG 35 -12.061 7.633 13.669 258 HG3 ARG 35 HG1 ARG 35 -11.618 5.967 13.363 259 HD2 ARG 35 HD2 ARG 35 -11.375 6.650 15.766 260 HD3 ARG 35 HD1 ARG 35 -9.876 6.059 15.046 261 HE ARG 35 HE ARG 35 -9.754 8.794 14.649 262 HH11 ARG 35 HH11 ARG 35 -8.824 10.203 16.150 263 HH12 ARG 35 HH12 ARG 35 -8.755 9.747 17.820 264 HH21 ARG 35 HH21 ARG 35 -10.301 6.683 17.321 265 HH22 ARG 35 HH22 ARG 35 -9.593 7.754 18.483 266 H ARG 36 HN ARG 36 -9.944 5.331 13.215 267 HA ARG 36 HA ARG 36 -8.951 3.203 13.472 268 HB2 ARG 36 HB2 ARG 36 -11.040 2.636 11.349 269 HB3 ARG 36 HB1 ARG 36 -10.282 1.426 12.387 270 HG2 ARG 36 HG2 ARG 36 -11.121 2.903 14.358 271 HG3 ARG 36 HG1 ARG 36 -12.178 3.644 13.157 272 HD2 ARG 36 HD2 ARG 36 -13.194 1.497 12.647 273 HD3 ARG 36 HD1 ARG 36 -12.049 0.663 13.696 274 HE ARG 36 HE ARG 36 -13.276 2.500 15.373 275 HH11 ARG 36 HH11 ARG 36 -15.144 2.011 16.546 276 HH12 ARG 36 HH12 ARG 36 -16.205 0.764 15.980 277 HH21 ARG 36 HH21 ARG 36 -14.281 0.027 13.192 278 HH22 ARG 36 HH22 ARG 36 -15.716 -0.358 14.081 279 H SER 37 HN SER 37 -8.882 1.171 11.302 280 HA SER 37 HA SER 37 -7.375 0.409 9.703 281 HB2 SER 37 HB2 SER 37 -8.349 1.722 8.059 282 HB3 SER 37 HB1 SER 37 -7.924 3.232 8.851 283 HG SER 37 HG SER 37 -6.224 1.426 7.476 284 H ARG 38 HN ARG 38 -6.136 3.718 10.429 285 HA ARG 38 HA ARG 38 -3.401 2.997 10.282 286 HB2 ARG 38 HB2 ARG 38 -2.976 5.052 11.517 287 HB3 ARG 38 HB1 ARG 38 -4.274 5.327 10.361 288 HG2 ARG 38 HG2 ARG 38 -5.485 6.114 12.115 289 HG3 ARG 38 HG1 ARG 38 -5.679 4.443 12.606 290 HD2 ARG 38 HD2 ARG 38 -3.308 4.881 13.766 291 HD3 ARG 38 HD1 ARG 38 -3.866 6.552 13.735 292 HE ARG 38 HE ARG 38 -4.702 4.572 15.584 293 HH11 ARG 38 HH11 ARG 38 -6.694 4.555 16.618 294 HH12 ARG 38 HH12 ARG 38 -7.970 5.569 16.033 295 HH21 ARG 38 HH21 ARG 38 -6.093 6.914 13.460 296 HH22 ARG 38 HH22 ARG 38 -7.633 6.891 14.244 297 H GLY 39 HN GLY 39 -5.779 2.115 12.532 298 HA2 GLY 39 HA2 GLY 39 -3.960 1.777 14.806 299 HA3 GLY 39 HA1 GLY 39 -5.641 1.243 14.732 300 H ILE 40 HN ILE 40 -5.182 -0.120 12.123 301 HA ILE 40 HA ILE 40 -3.928 -2.583 13.223 302 HB ILE 40 HB ILE 40 -6.358 -2.313 12.227 303 HG12 ILE 40 HG12 ILE 40 -6.027 -4.475 12.916 304 HG13 ILE 40 HG11 ILE 40 -6.064 -4.771 11.197 305 HG21 ILE 40 HG21 ILE 40 -5.601 -1.401 10.068 306 HG22 ILE 40 HG22 ILE 40 -6.561 -2.863 9.882 307 HG23 ILE 40 HG23 ILE 40 -4.814 -2.935 9.705 308 HD11 ILE 40 HD11 ILE 40 -4.191 -5.987 11.870 309 HD12 ILE 40 HD12 ILE 40 -3.697 -4.801 13.066 310 HD13 ILE 40 HD13 ILE 40 -3.454 -4.486 11.354 311 H VAL 41 HN VAL 41 -3.971 -0.791 10.064 312 HA VAL 41 HA VAL 41 -1.785 -2.324 9.014 313 HB VAL 41 HB VAL 41 -2.318 0.502 8.104 314 HG11 VAL 41 HG11 VAL 41 -1.792 -2.066 6.574 315 HG12 VAL 41 HG12 VAL 41 -0.524 -0.948 7.078 316 HG13 VAL 41 HG13 VAL 41 -1.760 -0.422 5.935 317 HG21 VAL 41 HG21 VAL 41 -4.121 -0.564 6.630 318 HG22 VAL 41 HG22 VAL 41 -4.545 -0.321 8.322 319 HG23 VAL 41 HG23 VAL 41 -4.088 -1.925 7.748 320 H GLU 42 HN GLU 42 -1.663 1.147 9.969 321 HA GLU 42 HA GLU 42 1.157 1.293 9.929 322 HB2 GLU 42 HB2 GLU 42 -0.936 2.855 11.431 323 HB3 GLU 42 HB1 GLU 42 0.776 3.198 11.661 324 HG2 GLU 42 HG2 GLU 42 -0.538 3.107 8.934 325 HG3 GLU 42 HG1 GLU 42 -0.375 4.591 9.875 326 H GLN 43 HN GLN 43 -0.961 0.583 12.737 327 HA GLN 43 HA GLN 43 0.969 0.345 14.729 328 HB2 GLN 43 HB2 GLN 43 -1.414 0.002 15.165 329 HB3 GLN 43 HB1 GLN 43 -1.385 -1.499 14.238 330 HG2 GLN 43 HG2 GLN 43 -0.008 -2.590 15.835 331 HG3 GLN 43 HG1 GLN 43 0.426 -1.071 16.619 332 HE21 GLN 43 HE21 GLN 43 -2.471 -3.113 15.946 333 HE22 GLN 43 HE22 GLN 43 -3.279 -2.697 17.380 334 H CYS 44 HN CYS 44 -0.065 -2.346 12.592 335 HA CYS 44 HA CYS 44 2.145 -4.020 13.450 336 HB2 CYS 44 HB2 CYS 44 0.077 -4.267 11.252 337 HB3 CYS 44 HB1 CYS 44 1.266 -5.512 11.610 338 H CYS 45 HN CYS 45 1.357 -2.428 10.354 339 HA CYS 45 HA CYS 45 3.786 -3.070 9.019 340 HB2 CYS 45 HB2 CYS 45 1.779 -2.125 7.897 341 HB3 CYS 45 HB1 CYS 45 2.062 -0.595 8.720 342 H ARG 46 HN ARG 46 2.920 -0.062 10.750 343 HA ARG 46 HA ARG 46 5.542 1.071 10.510 344 HB2 ARG 46 HB2 ARG 46 3.222 2.163 11.145 345 HB3 ARG 46 HB1 ARG 46 3.693 1.771 12.794 346 HG2 ARG 46 HG2 ARG 46 5.699 3.214 11.065 347 HG3 ARG 46 HG1 ARG 46 4.331 4.123 11.689 348 HD2 ARG 46 HD2 ARG 46 4.909 3.609 13.962 349 HD3 ARG 46 HD1 ARG 46 6.126 2.441 13.453 350 HE ARG 46 HE ARG 46 6.970 4.801 12.287 351 HH11 ARG 46 HH11 ARG 46 8.365 6.244 13.330 352 HH12 ARG 46 HH12 ARG 46 8.426 6.269 15.061 353 HH21 ARG 46 HH21 ARG 46 6.056 3.768 15.446 354 HH22 ARG 46 HH22 ARG 46 7.120 4.867 16.259 355 H SER 47 HN SER 47 4.044 -0.969 13.011 356 HA SER 47 HA SER 47 6.770 -1.301 14.233 357 HB2 SER 47 HB2 SER 47 4.194 -1.078 15.815 358 HB3 SER 47 HB1 SER 47 5.828 -1.213 16.458 359 HG SER 47 HG SER 47 4.699 0.920 14.963 360 H ILE 48 HN ILE 48 7.190 -3.414 14.966 361 HA ILE 48 HA ILE 48 5.653 -5.509 13.722 362 HB ILE 48 HB ILE 48 7.681 -5.770 15.966 363 HG12 ILE 48 HG12 ILE 48 8.189 -5.931 12.982 364 HG13 ILE 48 HG11 ILE 48 8.462 -4.461 13.918 365 HG21 ILE 48 HG21 ILE 48 6.552 -7.846 15.659 366 HG22 ILE 48 HG22 ILE 48 8.055 -7.997 14.750 367 HG23 ILE 48 HG23 ILE 48 6.542 -7.668 13.905 368 HD11 ILE 48 HD11 ILE 48 9.711 -7.134 14.602 369 HD12 ILE 48 HD12 ILE 48 10.090 -5.566 15.315 370 HD13 ILE 48 HD13 ILE 48 10.517 -5.898 13.637 371 H CYS 49 HN CYS 49 3.538 -5.616 14.450 372 HA CYS 49 HA CYS 49 2.937 -5.525 17.329 373 HB2 CYS 49 HB2 CYS 49 0.610 -5.685 16.637 374 HB3 CYS 49 HB1 CYS 49 1.420 -4.515 15.604 375 H SER 50 HN SER 50 2.068 -7.308 18.512 376 HA SER 50 HA SER 50 3.037 -9.932 17.564 377 HB2 SER 50 HB2 SER 50 1.697 -9.198 20.181 378 HB3 SER 50 HB1 SER 50 2.561 -10.691 19.828 379 HG SER 50 HG SER 50 4.361 -9.684 20.212 380 H LEU 51 HN LEU 51 1.567 -11.855 17.888 381 HA LEU 51 HA LEU 51 -0.747 -11.721 16.295 382 HB2 LEU 51 HB2 LEU 51 -0.387 -13.651 18.601 383 HB3 LEU 51 HB1 LEU 51 -1.290 -13.915 17.110 384 HG LEU 51 HG LEU 51 1.712 -13.558 17.346 385 HD11 LEU 51 HD11 LEU 51 1.772 -15.895 16.567 386 HD12 LEU 51 HD12 LEU 51 0.009 -15.938 16.547 387 HD13 LEU 51 HD13 LEU 51 0.870 -15.762 18.076 388 HD21 LEU 51 HD21 LEU 51 1.152 -12.591 15.262 389 HD22 LEU 51 HD22 LEU 51 -0.164 -13.732 14.981 390 HD23 LEU 51 HD23 LEU 51 1.511 -14.264 14.847 391 H TYR 52 HN TYR 52 -0.383 -11.203 19.768 392 HA TYR 52 HA TYR 52 -3.019 -11.313 20.650 393 HB2 TYR 52 HB2 TYR 52 -0.769 -10.568 21.850 394 HB3 TYR 52 HB1 TYR 52 -1.343 -8.949 21.480 395 HD1 TYR 52 HD1 TYR 52 -3.626 -8.245 22.278 396 HD2 TYR 52 HD2 TYR 52 -1.738 -11.857 23.610 397 HE1 TYR 52 HE1 TYR 52 -5.184 -8.342 24.208 398 HE2 TYR 52 HE2 TYR 52 -3.290 -11.960 25.542 399 HH TYR 52 HH TYR 52 -6.034 -10.582 25.765 400 H GLN 53 HN GLN 53 -1.444 -8.627 18.929 401 HA GLN 53 HA GLN 53 -3.866 -7.002 18.931 402 HB2 GLN 53 HB2 GLN 53 -1.448 -6.684 17.142 403 HB3 GLN 53 HB1 GLN 53 -2.610 -5.442 17.611 404 HG2 GLN 53 HG2 GLN 53 -1.909 -5.824 20.010 405 HG3 GLN 53 HG1 GLN 53 -0.615 -6.848 19.398 406 HE21 GLN 53 HE21 GLN 53 1.315 -5.755 19.055 407 HE22 GLN 53 HE22 GLN 53 1.457 -4.095 18.724 408 H LEU 54 HN LEU 54 -2.087 -8.781 16.360 409 HA LEU 54 HA LEU 54 -3.935 -8.326 14.294 410 HB2 LEU 54 HB2 LEU 54 -2.307 -10.796 14.807 411 HB3 LEU 54 HB1 LEU 54 -3.104 -10.421 13.285 412 HG LEU 54 HG LEU 54 -1.006 -8.705 14.624 413 HD11 LEU 54 HD11 LEU 54 -0.288 -10.962 13.599 414 HD12 LEU 54 HD12 LEU 54 0.540 -9.527 12.996 415 HD13 LEU 54 HD13 LEU 54 -0.744 -10.268 12.042 416 HD21 LEU 54 HD21 LEU 54 -1.065 -7.729 12.168 417 HD22 LEU 54 HD22 LEU 54 -2.244 -7.186 13.353 418 HD23 LEU 54 HD23 LEU 54 -2.697 -8.396 12.153 419 H GLU 55 HN GLU 55 -3.943 -10.692 16.847 420 HA GLU 55 HA GLU 55 -6.277 -12.116 15.938 421 HB2 GLU 55 HB2 GLU 55 -4.497 -12.933 17.584 422 HB3 GLU 55 HB1 GLU 55 -5.307 -11.930 18.780 423 HG2 GLU 55 HG2 GLU 55 -6.930 -13.909 17.184 424 HG3 GLU 55 HG1 GLU 55 -5.968 -14.475 18.543 425 H ASN 56 HN ASN 56 -5.857 -9.054 17.238 426 HA ASN 56 HA ASN 56 -8.310 -8.947 18.816 427 HB2 ASN 56 HB2 ASN 56 -6.190 -7.498 19.068 428 HB3 ASN 56 HB1 ASN 56 -6.820 -6.568 17.709 429 HD21 ASN 56 HD21 ASN 56 -6.533 -5.499 20.397 430 HD22 ASN 56 HD22 ASN 56 -8.088 -5.136 20.970 431 H TYR 57 HN TYR 57 -7.525 -8.489 15.459 432 HA TYR 57 HA TYR 57 -10.108 -7.098 14.948 433 HB2 TYR 57 HB2 TYR 57 -8.009 -7.770 12.893 434 HB3 TYR 57 HB1 TYR 57 -9.169 -6.447 12.887 435 HD1 TYR 57 HD1 TYR 57 -8.894 -4.540 14.537 436 HD2 TYR 57 HD2 TYR 57 -5.945 -7.582 14.009 437 HE1 TYR 57 HE1 TYR 57 -7.229 -3.103 15.663 438 HE2 TYR 57 HE2 TYR 57 -4.257 -6.161 15.150 439 HH TYR 57 HH TYR 57 -3.861 -3.852 15.670 440 H CYS 58 HN CYS 58 -8.870 -10.231 15.011 441 HA CYS 58 HA CYS 58 -10.092 -11.413 12.739 442 HB2 CYS 58 HB2 CYS 58 -9.532 -12.570 15.480 443 HB3 CYS 58 HB1 CYS 58 -9.989 -13.519 14.070 444 H GLY 59 HN GLY 59 -12.158 -10.633 12.397 445 HA2 GLY 59 HA2 GLY 59 -14.502 -10.705 12.603 446 HA3 GLY 59 HA1 GLY 59 -14.291 -11.951 13.834 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 4.132 -17.107 13.310 2 H2 PHE 1 HT2 PHE 1 3.119 -17.295 11.960 3 H3 PHE 1 HT3 PHE 1 3.173 -15.811 12.785 4 HA PHE 1 HA PHE 1 5.248 -17.030 11.071 5 HB2 PHE 1 HB2 PHE 1 5.058 -14.456 10.289 6 HB3 PHE 1 HB1 PHE 1 3.989 -15.705 9.657 7 HD1 PHE 1 HD1 PHE 1 1.805 -16.169 11.024 8 HD2 PHE 1 HD2 PHE 1 4.123 -12.570 11.328 9 HE1 PHE 1 HE1 PHE 1 -0.167 -14.980 11.940 10 HE2 PHE 1 HE2 PHE 1 2.150 -11.367 12.240 11 HZ PHE 1 HZ PHE 1 -0.001 -12.587 12.549 12 H VAL 2 HN VAL 2 7.155 -15.391 10.874 13 HA VAL 2 HA VAL 2 8.460 -15.249 13.399 14 HB VAL 2 HB VAL 2 10.163 -13.889 12.204 15 HG11 VAL 2 HG11 VAL 2 10.280 -16.281 11.964 16 HG12 VAL 2 HG12 VAL 2 10.600 -15.561 10.387 17 HG13 VAL 2 HG13 VAL 2 9.020 -16.266 10.730 18 HG21 VAL 2 HG21 VAL 2 7.998 -13.861 10.085 19 HG22 VAL 2 HG22 VAL 2 9.691 -13.547 9.709 20 HG23 VAL 2 HG23 VAL 2 8.819 -12.478 10.805 21 H ASN 3 HN ASN 3 9.469 -12.409 12.800 22 HA ASN 3 HA ASN 3 7.137 -10.836 13.810 23 HB2 ASN 3 HB2 ASN 3 9.901 -10.594 15.017 24 HB3 ASN 3 HB1 ASN 3 8.383 -9.934 15.628 25 HD21 ASN 3 HD21 ASN 3 10.368 -12.833 15.456 26 HD22 ASN 3 HD22 ASN 3 9.397 -13.785 16.472 27 H GLN 4 HN GLN 4 6.911 -9.323 12.242 28 HA GLN 4 HA GLN 4 9.159 -7.535 11.657 29 HB2 GLN 4 HB2 GLN 4 8.852 -7.854 9.150 30 HB3 GLN 4 HB1 GLN 4 9.657 -9.183 9.984 31 HG2 GLN 4 HG2 GLN 4 7.465 -10.371 10.130 32 HG3 GLN 4 HG1 GLN 4 6.732 -9.069 9.191 33 HE21 GLN 4 HE21 GLN 4 8.215 -12.094 8.893 34 HE22 GLN 4 HE22 GLN 4 8.639 -12.007 7.252 35 H HIS 5 HN HIS 5 8.275 -5.892 9.854 36 HA HIS 5 HA HIS 5 5.786 -4.850 10.971 37 HB2 HIS 5 HB2 HIS 5 6.389 -3.291 8.701 38 HB3 HIS 5 HB1 HIS 5 6.866 -2.932 10.354 39 HD2 HIS 5 HD2 HIS 5 9.458 -4.489 10.973 40 HE1 HIS 5 HE1 HIS 5 10.793 -3.710 7.049 41 HE2 HIS 5 HE2 HIS 5 11.509 -4.436 9.375 42 H LEU 6 HN LEU 6 3.845 -5.550 10.314 43 HA LEU 6 HA LEU 6 3.526 -6.936 7.724 44 HB2 LEU 6 HB2 LEU 6 1.969 -6.603 10.243 45 HB3 LEU 6 HB1 LEU 6 1.013 -6.765 8.781 46 HG LEU 6 HG LEU 6 1.903 -8.921 8.303 47 HD11 LEU 6 HD11 LEU 6 4.194 -8.931 8.623 48 HD12 LEU 6 HD12 LEU 6 3.710 -9.793 10.076 49 HD13 LEU 6 HD13 LEU 6 4.095 -8.074 10.160 50 HD21 LEU 6 HD21 LEU 6 0.252 -8.947 10.103 51 HD22 LEU 6 HD22 LEU 6 1.513 -8.641 11.287 52 HD23 LEU 6 HD23 LEU 6 1.484 -10.161 10.414 53 H CYS 7 HN CYS 7 3.130 -5.691 5.924 54 HA CYS 7 HA CYS 7 1.370 -3.286 6.248 55 HB2 CYS 7 HB2 CYS 7 3.815 -3.533 4.482 56 HB3 CYS 7 HB1 CYS 7 2.742 -2.135 4.572 57 H GLY 8 HN GLY 8 -0.379 -3.391 5.054 58 HA2 GLY 8 HA2 GLY 8 -1.873 -3.955 3.366 59 HA3 GLY 8 HA1 GLY 8 -0.473 -4.135 2.310 60 H SER 9 HN SER 9 -0.880 -6.044 1.300 61 HA SER 9 HA SER 9 -2.289 -8.263 2.093 62 HB2 SER 9 HB2 SER 9 0.381 -8.531 0.706 63 HB3 SER 9 HB1 SER 9 -1.044 -9.549 0.517 64 HG SER 9 HG SER 9 -1.868 -7.146 0.000 65 H HIS 10 HN HIS 10 1.010 -7.452 3.131 66 HA HIS 10 HA HIS 10 1.626 -9.932 4.362 67 HB2 HIS 10 HB2 HIS 10 3.132 -7.849 4.028 68 HB3 HIS 10 HB1 HIS 10 2.439 -7.282 5.543 69 HD2 HIS 10 HD2 HIS 10 5.523 -7.969 5.920 70 HE1 HIS 10 HE1 HIS 10 4.345 -11.795 7.262 71 HE2 HIS 10 HE2 HIS 10 6.254 -10.120 7.182 72 H LEU 11 HN LEU 11 -0.302 -7.190 5.471 73 HA LEU 11 HA LEU 11 -0.618 -8.206 8.146 74 HB2 LEU 11 HB2 LEU 11 -0.955 -5.800 7.561 75 HB3 LEU 11 HB1 LEU 11 -2.363 -6.258 6.621 76 HG LEU 11 HG LEU 11 -3.572 -6.889 8.535 77 HD11 LEU 11 HD11 LEU 11 -2.455 -6.738 10.868 78 HD12 LEU 11 HD12 LEU 11 -0.939 -6.868 9.994 79 HD13 LEU 11 HD13 LEU 11 -2.127 -8.168 9.893 80 HD21 LEU 11 HD21 LEU 11 -2.186 -4.580 9.810 81 HD22 LEU 11 HD22 LEU 11 -3.897 -4.841 9.486 82 HD23 LEU 11 HD23 LEU 11 -2.834 -4.326 8.187 83 H VAL 12 HN VAL 12 -2.778 -8.152 5.322 84 HA VAL 12 HA VAL 12 -4.828 -9.744 6.482 85 HB VAL 12 HB VAL 12 -3.881 -9.492 3.609 86 HG11 VAL 12 HG11 VAL 12 -5.641 -11.497 4.577 87 HG12 VAL 12 HG12 VAL 12 -5.457 -10.989 2.908 88 HG13 VAL 12 HG13 VAL 12 -6.701 -10.260 3.912 89 HG21 VAL 12 HG21 VAL 12 -5.656 -7.877 3.391 90 HG22 VAL 12 HG22 VAL 12 -4.714 -7.451 4.819 91 HG23 VAL 12 HG23 VAL 12 -6.271 -8.259 4.999 92 H GLU 13 HN GLU 13 -2.229 -10.744 4.261 93 HA GLU 13 HA GLU 13 -2.536 -13.490 4.352 94 HB2 GLU 13 HB2 GLU 13 0.052 -11.915 4.413 95 HB3 GLU 13 HB1 GLU 13 -0.048 -13.640 4.056 96 HG2 GLU 13 HG2 GLU 13 -1.270 -13.281 2.063 97 HG3 GLU 13 HG1 GLU 13 -1.692 -11.631 2.521 98 H ALA 14 HN ALA 14 -1.330 -11.409 6.924 99 HA ALA 14 HA ALA 14 -0.444 -13.727 8.529 100 HB1 ALA 14 HB1 ALA 14 0.912 -11.888 8.972 101 HB2 ALA 14 HB2 ALA 14 -0.269 -11.718 10.271 102 HB3 ALA 14 HB3 ALA 14 -0.415 -10.743 8.810 103 H LEU 15 HN LEU 15 -2.826 -11.081 9.087 104 HA LEU 15 HA LEU 15 -4.140 -12.153 11.288 105 HB2 LEU 15 HB2 LEU 15 -5.219 -10.622 8.925 106 HB3 LEU 15 HB1 LEU 15 -6.267 -11.094 10.255 107 HG LEU 15 HG LEU 15 -3.691 -9.670 10.888 108 HD11 LEU 15 HD11 LEU 15 -6.230 -8.124 10.371 109 HD12 LEU 15 HD12 LEU 15 -5.084 -8.409 9.073 110 HD13 LEU 15 HD13 LEU 15 -4.584 -7.527 10.510 111 HD21 LEU 15 HD21 LEU 15 -6.463 -9.656 12.137 112 HD22 LEU 15 HD22 LEU 15 -5.033 -8.866 12.793 113 HD23 LEU 15 HD23 LEU 15 -5.103 -10.621 12.705 114 H TYR 16 HN TYR 16 -4.514 -13.061 7.898 115 HA TYR 16 HA TYR 16 -6.804 -14.667 8.053 116 HB2 TYR 16 HB2 TYR 16 -6.014 -14.448 5.882 117 HB3 TYR 16 HB1 TYR 16 -4.338 -14.621 6.369 118 HD1 TYR 16 HD1 TYR 16 -3.383 -16.459 5.274 119 HD2 TYR 16 HD2 TYR 16 -7.367 -16.792 6.848 120 HE1 TYR 16 HE1 TYR 16 -3.433 -18.849 4.636 121 HE2 TYR 16 HE2 TYR 16 -7.420 -19.186 6.202 122 HH TYR 16 HH TYR 16 -5.046 -21.010 5.722 123 H LEU 17 HN LEU 17 -3.443 -15.496 8.899 124 HA LEU 17 HA LEU 17 -4.116 -18.227 9.663 125 HB2 LEU 17 HB2 LEU 17 -1.687 -16.482 10.173 126 HB3 LEU 17 HB1 LEU 17 -1.817 -18.142 10.738 127 HG LEU 17 HG LEU 17 -2.371 -18.685 8.216 128 HD11 LEU 17 HD11 LEU 17 -2.534 -16.363 7.448 129 HD12 LEU 17 HD12 LEU 17 -1.158 -17.146 6.678 130 HD13 LEU 17 HD13 LEU 17 -0.901 -16.043 8.028 131 HD21 LEU 17 HD21 LEU 17 0.087 -18.866 7.748 132 HD22 LEU 17 HD22 LEU 17 -0.366 -19.505 9.328 133 HD23 LEU 17 HD23 LEU 17 0.393 -17.918 9.204 134 H VAL 18 HN VAL 18 -3.233 -15.282 11.443 135 HA VAL 18 HA VAL 18 -3.528 -16.192 14.072 136 HB VAL 18 HB VAL 18 -4.514 -13.517 13.059 137 HG11 VAL 18 HG11 VAL 18 -3.213 -14.260 15.675 138 HG12 VAL 18 HG12 VAL 18 -4.957 -14.127 15.442 139 HG13 VAL 18 HG13 VAL 18 -3.929 -12.708 15.243 140 HG21 VAL 18 HG21 VAL 18 -2.283 -13.909 12.140 141 HG22 VAL 18 HG22 VAL 18 -1.695 -14.424 13.720 142 HG23 VAL 18 HG23 VAL 18 -2.165 -12.745 13.459 143 H CYS 19 HN CYS 19 -6.069 -14.714 12.048 144 HA CYS 19 HA CYS 19 -8.175 -15.432 13.930 145 HB2 CYS 19 HB2 CYS 19 -8.563 -14.542 11.069 146 HB3 CYS 19 HB1 CYS 19 -9.606 -14.244 12.464 147 H GLY 20 HN GLY 20 -6.694 -16.917 11.149 148 HA2 GLY 20 HA2 GLY 20 -7.215 -18.905 10.006 149 HA3 GLY 20 HA1 GLY 20 -7.895 -19.436 11.547 150 H GLU 21 HN GLU 21 -10.053 -19.849 11.524 151 HA GLU 21 HA GLU 21 -11.646 -19.021 9.191 152 HB2 GLU 21 HB2 GLU 21 -12.460 -20.611 11.642 153 HB3 GLU 21 HB1 GLU 21 -13.396 -20.440 10.156 154 HG2 GLU 21 HG2 GLU 21 -11.766 -21.643 8.881 155 HG3 GLU 21 HG1 GLU 21 -10.590 -21.573 10.195 156 H ARG 22 HN ARG 22 -11.200 -18.017 12.501 157 HA ARG 22 HA ARG 22 -13.667 -16.748 13.012 158 HB2 ARG 22 HB2 ARG 22 -10.870 -15.850 13.772 159 HB3 ARG 22 HB1 ARG 22 -12.353 -15.187 14.458 160 HG2 ARG 22 HG2 ARG 22 -12.955 -17.621 15.064 161 HG3 ARG 22 HG1 ARG 22 -11.264 -17.993 14.726 162 HD2 ARG 22 HD2 ARG 22 -11.620 -17.518 17.129 163 HD3 ARG 22 HD1 ARG 22 -10.551 -16.327 16.389 164 HE ARG 22 HE ARG 22 -13.063 -15.186 16.158 165 HH11 ARG 22 HH11 ARG 22 -13.940 -13.840 17.747 166 HH12 ARG 22 HH12 ARG 22 -13.398 -13.989 19.385 167 HH21 ARG 22 HH21 ARG 22 -11.161 -16.547 18.691 168 HH22 ARG 22 HH22 ARG 22 -11.825 -15.522 19.920 169 H GLY 23 HN GLY 23 -10.903 -15.642 11.090 170 HA2 GLY 23 HA2 GLY 23 -10.878 -14.022 9.376 171 HA3 GLY 23 HA1 GLY 23 -12.622 -13.856 9.574 172 H PHE 24 HN PHE 24 -10.956 -11.637 9.188 173 HA PHE 24 HA PHE 24 -11.361 -10.161 11.758 174 HB2 PHE 24 HB2 PHE 24 -9.220 -8.946 11.338 175 HB3 PHE 24 HB1 PHE 24 -8.980 -10.656 11.664 176 HD1 PHE 24 HD1 PHE 24 -8.885 -12.261 9.619 177 HD2 PHE 24 HD2 PHE 24 -8.356 -8.001 9.375 178 HE1 PHE 24 HE1 PHE 24 -7.764 -12.532 7.420 179 HE2 PHE 24 HE2 PHE 24 -7.233 -8.271 7.168 180 HZ PHE 24 HZ PHE 24 -6.956 -10.540 6.205 181 H PHE 25 HN PHE 25 -11.159 -7.661 11.155 182 HA PHE 25 HA PHE 25 -12.606 -7.277 8.564 183 HB2 PHE 25 HB2 PHE 25 -13.827 -5.590 9.593 184 HB3 PHE 25 HB1 PHE 25 -13.546 -6.668 10.957 185 HD1 PHE 25 HD1 PHE 25 -12.632 -3.526 9.369 186 HD2 PHE 25 HD2 PHE 25 -11.951 -6.068 12.737 187 HE1 PHE 25 HE1 PHE 25 -11.482 -1.654 10.526 188 HE2 PHE 25 HE2 PHE 25 -10.794 -4.206 13.906 189 HZ PHE 25 HZ PHE 25 -10.563 -1.997 12.804 190 H TYR 26 HN TYR 26 -11.541 -6.233 6.972 191 HA TYR 26 HA TYR 26 -9.098 -4.633 7.659 192 HB2 TYR 26 HB2 TYR 26 -9.219 -6.708 5.927 193 HB3 TYR 26 HB1 TYR 26 -9.683 -5.421 4.818 194 HD1 TYR 26 HD1 TYR 26 -7.185 -5.989 7.568 195 HD2 TYR 26 HD2 TYR 26 -7.922 -4.379 3.656 196 HE1 TYR 26 HE1 TYR 26 -4.805 -5.331 7.383 197 HE2 TYR 26 HE2 TYR 26 -5.533 -3.704 3.492 198 HH TYR 26 HH TYR 26 -3.646 -3.151 5.376 199 H THR 27 HN THR 27 -8.807 -2.721 5.996 200 HA THR 27 HA THR 27 -10.639 -0.730 6.316 201 HB THR 27 HB THR 27 -8.750 -0.021 5.170 202 HG1 THR 27 HG1 THR 27 -10.007 1.104 3.930 203 HG21 THR 27 HG21 THR 27 -8.113 -1.174 2.955 204 HG22 THR 27 HG22 THR 27 -9.221 -2.452 3.450 205 HG23 THR 27 HG23 THR 27 -7.822 -2.060 4.449 206 HA PRO 28 HA PRO 28 -14.133 -2.708 4.154 207 HB2 PRO 28 HB2 PRO 28 -16.013 -0.729 4.851 208 HB3 PRO 28 HB1 PRO 28 -15.675 -2.200 5.769 209 HG2 PRO 28 HG2 PRO 28 -14.907 0.580 6.402 210 HG3 PRO 28 HG1 PRO 28 -14.937 -0.833 7.461 211 HD2 PRO 28 HD2 PRO 28 -12.623 0.389 6.328 212 HD3 PRO 28 HD1 PRO 28 -12.679 -1.153 7.212 213 H ARG 29 HN ARG 29 -12.371 -0.078 3.330 214 HA ARG 29 HA ARG 29 -13.419 0.050 0.673 215 HB2 ARG 29 HB2 ARG 29 -14.184 2.485 0.807 216 HB3 ARG 29 HB1 ARG 29 -15.275 1.280 1.478 217 HG2 ARG 29 HG2 ARG 29 -13.516 2.064 3.612 218 HG3 ARG 29 HG1 ARG 29 -14.040 3.540 2.826 219 HD2 ARG 29 HD2 ARG 29 -15.818 1.352 3.909 220 HD3 ARG 29 HD1 ARG 29 -15.600 2.943 4.620 221 HE ARG 29 HE ARG 29 -17.433 2.221 2.518 222 HH11 ARG 29 HH11 ARG 29 -18.328 3.708 1.106 223 HH12 ARG 29 HH12 ARG 29 -17.662 5.304 1.006 224 HH21 ARG 29 HH21 ARG 29 -15.222 4.730 3.392 225 HH22 ARG 29 HH22 ARG 29 -15.907 5.878 2.292 226 H THR 30 HN THR 30 -11.812 2.143 3.114 227 HA THR 30 HA THR 30 -9.290 2.062 1.770 228 HB THR 30 HB THR 30 -9.998 3.366 -0.016 229 HG1 THR 30 HG1 THR 30 -9.725 5.649 1.436 230 HG21 THR 30 HG21 THR 30 -11.964 4.467 1.973 231 HG22 THR 30 HG22 THR 30 -12.256 3.787 0.370 232 HG23 THR 30 HG23 THR 30 -11.575 5.403 0.531 233 H GLU 31 HN GLU 31 -7.894 2.486 3.403 234 HA GLU 31 HA GLU 31 -8.738 3.725 5.863 235 HB2 GLU 31 HB2 GLU 31 -6.446 3.486 6.565 236 HB3 GLU 31 HB1 GLU 31 -6.829 2.070 5.590 237 HG2 GLU 31 HG2 GLU 31 -4.779 2.699 4.665 238 HG3 GLU 31 HG1 GLU 31 -5.898 3.545 3.599 239 H GLU 32 HN GLU 32 -8.092 5.005 2.863 240 HA GLU 32 HA GLU 32 -6.807 7.490 3.743 241 HB2 GLU 32 HB2 GLU 32 -8.159 7.082 1.076 242 HB3 GLU 32 HB1 GLU 32 -6.746 8.065 1.460 243 HG2 GLU 32 HG2 GLU 32 -5.550 5.892 2.048 244 HG3 GLU 32 HG1 GLU 32 -6.915 5.047 1.322 245 H GLY 33 HN GLY 33 -10.021 6.303 3.108 246 HA2 GLY 33 HA2 GLY 33 -11.441 8.718 2.781 247 HA3 GLY 33 HA1 GLY 33 -12.121 7.265 3.513 248 H SER 34 HN SER 34 -12.602 7.349 5.659 249 HA SER 34 HA SER 34 -12.122 9.837 7.107 250 HB2 SER 34 HB2 SER 34 -14.236 8.563 7.351 251 HB3 SER 34 HB1 SER 34 -13.336 7.227 8.062 252 HG SER 34 HG SER 34 -14.328 8.810 9.547 253 H ARG 35 HN ARG 35 -11.959 8.102 9.659 254 HA ARG 35 HA ARG 35 -8.984 8.000 9.711 255 HB2 ARG 35 HB2 ARG 35 -9.346 7.762 12.219 256 HB3 ARG 35 HB1 ARG 35 -9.856 9.294 11.523 257 HG2 ARG 35 HG2 ARG 35 -12.200 8.262 11.358 258 HG3 ARG 35 HG1 ARG 35 -11.614 6.988 12.394 259 HD2 ARG 35 HD2 ARG 35 -11.830 9.928 13.000 260 HD3 ARG 35 HD1 ARG 35 -12.612 8.600 13.846 261 HE ARG 35 HE ARG 35 -10.026 9.711 14.419 262 HH11 ARG 35 HH11 ARG 35 -8.436 8.605 15.542 263 HH12 ARG 35 HH12 ARG 35 -8.582 6.895 15.773 264 HH21 ARG 35 HH21 ARG 35 -11.600 6.651 14.096 265 HH22 ARG 35 HH22 ARG 35 -10.364 5.791 14.950 266 H ARG 36 HN ARG 36 -10.104 6.131 12.188 267 HA ARG 36 HA ARG 36 -9.830 3.835 12.595 268 HB2 ARG 36 HB2 ARG 36 -11.540 4.042 10.126 269 HB3 ARG 36 HB1 ARG 36 -11.119 2.463 10.773 270 HG2 ARG 36 HG2 ARG 36 -12.248 4.617 12.556 271 HG3 ARG 36 HG1 ARG 36 -13.316 3.614 11.591 272 HD2 ARG 36 HD2 ARG 36 -11.644 1.732 12.815 273 HD3 ARG 36 HD1 ARG 36 -11.859 2.943 14.070 274 HE ARG 36 HE ARG 36 -13.760 0.993 13.415 275 HH11 ARG 36 HH11 ARG 36 -15.973 1.217 13.716 276 HH12 ARG 36 HH12 ARG 36 -16.661 2.799 13.872 277 HH21 ARG 36 HH21 ARG 36 -13.637 4.445 13.548 278 HH22 ARG 36 HH22 ARG 36 -15.342 4.620 13.771 279 H SER 37 HN SER 37 -9.383 1.674 11.142 280 HA SER 37 HA SER 37 -7.731 0.448 10.061 281 HB2 SER 37 HB2 SER 37 -8.474 1.325 8.012 282 HB3 SER 37 HB1 SER 37 -7.843 2.928 8.355 283 HG SER 37 HG SER 37 -5.733 1.654 8.473 284 H ARG 38 HN ARG 38 -6.814 3.634 11.236 285 HA ARG 38 HA ARG 38 -3.961 3.162 10.945 286 HB2 ARG 38 HB2 ARG 38 -3.704 5.154 12.353 287 HB3 ARG 38 HB1 ARG 38 -4.917 5.452 11.108 288 HG2 ARG 38 HG2 ARG 38 -6.679 4.782 12.792 289 HG3 ARG 38 HG1 ARG 38 -5.410 4.764 14.016 290 HD2 ARG 38 HD2 ARG 38 -5.041 7.242 12.784 291 HD3 ARG 38 HD1 ARG 38 -6.793 7.073 12.801 292 HE ARG 38 HE ARG 38 -5.256 7.817 15.023 293 HH11 ARG 38 HH11 ARG 38 -5.849 7.460 17.158 294 HH12 ARG 38 HH12 ARG 38 -7.018 6.237 17.529 295 HH21 ARG 38 HH21 ARG 38 -7.483 5.297 14.232 296 HH22 ARG 38 HH22 ARG 38 -7.937 5.013 15.876 297 H GLY 39 HN GLY 39 -6.354 1.984 13.031 298 HA2 GLY 39 HA2 GLY 39 -4.603 1.639 15.362 299 HA3 GLY 39 HA1 GLY 39 -6.244 1.018 15.193 300 H ILE 40 HN ILE 40 -5.714 -0.298 12.617 301 HA ILE 40 HA ILE 40 -4.260 -2.663 13.689 302 HB ILE 40 HB ILE 40 -6.724 -2.562 12.756 303 HG12 ILE 40 HG12 ILE 40 -6.184 -4.672 13.484 304 HG13 ILE 40 HG11 ILE 40 -6.320 -5.003 11.776 305 HG21 ILE 40 HG21 ILE 40 -5.200 -3.098 10.203 306 HG22 ILE 40 HG22 ILE 40 -6.094 -1.628 10.572 307 HG23 ILE 40 HG23 ILE 40 -6.943 -3.161 10.422 308 HD11 ILE 40 HD11 ILE 40 -3.730 -4.548 11.750 309 HD12 ILE 40 HD12 ILE 40 -4.329 -6.083 12.337 310 HD13 ILE 40 HD13 ILE 40 -3.836 -4.846 13.480 311 H VAL 41 HN VAL 41 -4.495 -0.899 10.536 312 HA VAL 41 HA VAL 41 -2.258 -2.291 9.413 313 HB VAL 41 HB VAL 41 -3.037 0.499 8.568 314 HG11 VAL 41 HG11 VAL 41 -2.271 -1.964 6.969 315 HG12 VAL 41 HG12 VAL 41 -1.113 -0.739 7.490 316 HG13 VAL 41 HG13 VAL 41 -2.409 -0.310 6.373 317 HG21 VAL 41 HG21 VAL 41 -5.169 -0.537 8.758 318 HG22 VAL 41 HG22 VAL 41 -4.554 -2.091 8.204 319 HG23 VAL 41 HG23 VAL 41 -4.723 -0.754 7.069 320 H GLU 42 HN GLU 42 -2.300 1.162 10.430 321 HA GLU 42 HA GLU 42 0.487 1.518 10.260 322 HB2 GLU 42 HB2 GLU 42 -1.523 2.839 12.088 323 HB3 GLU 42 HB1 GLU 42 0.148 3.374 11.932 324 HG2 GLU 42 HG2 GLU 42 -0.215 3.633 9.471 325 HG3 GLU 42 HG1 GLU 42 -1.915 3.231 9.716 326 H GLN 43 HN GLN 43 -1.367 0.659 13.221 327 HA GLN 43 HA GLN 43 0.762 0.514 15.010 328 HB2 GLN 43 HB2 GLN 43 -1.827 -0.059 15.242 329 HB3 GLN 43 HB1 GLN 43 -1.254 -1.716 15.082 330 HG2 GLN 43 HG2 GLN 43 -0.473 0.322 17.186 331 HG3 GLN 43 HG1 GLN 43 -1.291 -1.220 17.433 332 HE21 GLN 43 HE21 GLN 43 0.015 -3.063 17.741 333 HE22 GLN 43 HE22 GLN 43 1.706 -3.061 17.595 334 H CYS 44 HN CYS 44 -0.347 -2.186 12.909 335 HA CYS 44 HA CYS 44 1.947 -3.811 13.645 336 HB2 CYS 44 HB2 CYS 44 -0.200 -4.114 11.528 337 HB3 CYS 44 HB1 CYS 44 1.035 -5.324 11.853 338 H CYS 45 HN CYS 45 0.948 -2.246 10.596 339 HA CYS 45 HA CYS 45 3.348 -2.782 9.162 340 HB2 CYS 45 HB2 CYS 45 1.254 -1.964 8.114 341 HB3 CYS 45 HB1 CYS 45 1.475 -0.411 8.914 342 H ARG 46 HN ARG 46 2.413 0.185 10.941 343 HA ARG 46 HA ARG 46 4.959 1.449 10.575 344 HB2 ARG 46 HB2 ARG 46 2.609 2.401 11.334 345 HB3 ARG 46 HB1 ARG 46 3.215 2.066 12.953 346 HG2 ARG 46 HG2 ARG 46 4.707 3.713 10.885 347 HG3 ARG 46 HG1 ARG 46 3.684 4.401 12.135 348 HD2 ARG 46 HD2 ARG 46 5.305 2.780 13.649 349 HD3 ARG 46 HD1 ARG 46 6.414 3.256 12.367 350 HE ARG 46 HE ARG 46 5.709 4.877 14.549 351 HH11 ARG 46 HH11 ARG 46 5.681 7.120 14.527 352 HH12 ARG 46 HH12 ARG 46 5.643 7.962 13.013 353 HH21 ARG 46 HH21 ARG 46 5.663 5.083 11.099 354 HH22 ARG 46 HH22 ARG 46 5.624 6.810 11.081 355 H SER 47 HN SER 47 3.693 -0.689 13.120 356 HA SER 47 HA SER 47 6.485 -0.895 14.199 357 HB2 SER 47 HB2 SER 47 3.941 -0.392 15.756 358 HB3 SER 47 HB1 SER 47 5.386 -1.064 16.507 359 HG SER 47 HG SER 47 5.421 1.306 14.958 360 H ILE 48 HN ILE 48 6.996 -2.982 14.994 361 HA ILE 48 HA ILE 48 5.495 -5.147 13.828 362 HB ILE 48 HB ILE 48 7.604 -5.270 16.005 363 HG12 ILE 48 HG12 ILE 48 7.964 -5.552 13.008 364 HG13 ILE 48 HG11 ILE 48 8.257 -4.044 13.875 365 HG21 ILE 48 HG21 ILE 48 6.498 -7.303 14.049 366 HG22 ILE 48 HG22 ILE 48 6.439 -7.373 15.810 367 HG23 ILE 48 HG23 ILE 48 7.981 -7.549 14.972 368 HD11 ILE 48 HD11 ILE 48 9.634 -6.693 14.407 369 HD12 ILE 48 HD12 ILE 48 9.903 -5.206 15.318 370 HD13 ILE 48 HD13 ILE 48 10.356 -5.292 13.615 371 H CYS 49 HN CYS 49 3.405 -5.312 14.613 372 HA CYS 49 HA CYS 49 2.886 -5.211 17.510 373 HB2 CYS 49 HB2 CYS 49 0.550 -5.448 16.902 374 HB3 CYS 49 HB1 CYS 49 1.281 -4.273 15.816 375 H SER 50 HN SER 50 2.498 -7.000 18.794 376 HA SER 50 HA SER 50 3.457 -9.563 17.876 377 HB2 SER 50 HB2 SER 50 1.830 -8.970 20.359 378 HB3 SER 50 HB1 SER 50 2.868 -10.363 20.087 379 HG SER 50 HG SER 50 4.526 -8.586 19.699 380 H LEU 51 HN LEU 51 2.117 -11.573 17.967 381 HA LEU 51 HA LEU 51 -0.147 -11.441 16.268 382 HB2 LEU 51 HB2 LEU 51 0.340 -13.608 18.329 383 HB3 LEU 51 HB1 LEU 51 -0.502 -13.761 16.787 384 HG LEU 51 HG LEU 51 2.443 -13.108 17.114 385 HD11 LEU 51 HD11 LEU 51 2.725 -15.390 16.101 386 HD12 LEU 51 HD12 LEU 51 0.991 -15.640 16.303 387 HD13 LEU 51 HD13 LEU 51 2.020 -15.415 17.717 388 HD21 LEU 51 HD21 LEU 51 0.611 -13.417 14.728 389 HD22 LEU 51 HD22 LEU 51 2.348 -13.691 14.584 390 HD23 LEU 51 HD23 LEU 51 1.744 -12.112 15.080 391 H TYR 52 HN TYR 52 0.148 -11.205 19.759 392 HA TYR 52 HA TYR 52 -2.471 -11.668 20.607 393 HB2 TYR 52 HB2 TYR 52 -0.336 -10.866 21.925 394 HB3 TYR 52 HB1 TYR 52 -0.980 -9.255 21.640 395 HD1 TYR 52 HD1 TYR 52 -3.361 -8.756 22.365 396 HD2 TYR 52 HD2 TYR 52 -1.241 -12.267 23.617 397 HE1 TYR 52 HE1 TYR 52 -4.962 -9.049 24.239 398 HE2 TYR 52 HE2 TYR 52 -2.837 -12.566 25.492 399 HH TYR 52 HH TYR 52 -5.398 -10.182 26.120 400 H GLN 53 HN GLN 53 -1.154 -8.557 19.408 401 HA GLN 53 HA GLN 53 -3.660 -7.170 19.446 402 HB2 GLN 53 HB2 GLN 53 -1.278 -6.720 17.622 403 HB3 GLN 53 HB1 GLN 53 -2.570 -5.562 17.944 404 HG2 GLN 53 HG2 GLN 53 -1.944 -5.780 20.419 405 HG3 GLN 53 HG1 GLN 53 -0.483 -6.601 19.867 406 HE21 GLN 53 HE21 GLN 53 1.224 -5.131 19.832 407 HE22 GLN 53 HE22 GLN 53 1.112 -3.518 19.313 408 H LEU 54 HN LEU 54 -1.946 -8.817 16.764 409 HA LEU 54 HA LEU 54 -3.903 -8.411 14.786 410 HB2 LEU 54 HB2 LEU 54 -2.134 -10.803 15.194 411 HB3 LEU 54 HB1 LEU 54 -3.008 -10.444 13.709 412 HG LEU 54 HG LEU 54 -0.970 -8.628 15.007 413 HD11 LEU 54 HD11 LEU 54 -0.098 -10.790 13.999 414 HD12 LEU 54 HD12 LEU 54 0.551 -9.324 13.274 415 HD13 LEU 54 HD13 LEU 54 -0.714 -10.231 12.444 416 HD21 LEU 54 HD21 LEU 54 -1.158 -7.654 12.543 417 HD22 LEU 54 HD22 LEU 54 -2.303 -7.163 13.783 418 HD23 LEU 54 HD23 LEU 54 -2.758 -8.390 12.602 419 H GLU 55 HN GLU 55 -3.696 -10.755 17.347 420 HA GLU 55 HA GLU 55 -5.984 -12.307 16.524 421 HB2 GLU 55 HB2 GLU 55 -4.067 -12.958 18.156 422 HB3 GLU 55 HB1 GLU 55 -5.028 -12.108 19.362 423 HG2 GLU 55 HG2 GLU 55 -6.997 -13.555 18.627 424 HG3 GLU 55 HG1 GLU 55 -5.826 -14.527 17.736 425 H ASN 56 HN ASN 56 -5.671 -9.221 17.786 426 HA ASN 56 HA ASN 56 -8.060 -9.223 19.464 427 HB2 ASN 56 HB2 ASN 56 -5.985 -7.683 19.621 428 HB3 ASN 56 HB1 ASN 56 -6.728 -6.774 18.307 429 HD21 ASN 56 HD21 ASN 56 -6.322 -5.939 21.165 430 HD22 ASN 56 HD22 ASN 56 -7.868 -5.559 21.748 431 H TYR 57 HN TYR 57 -7.420 -8.727 16.080 432 HA TYR 57 HA TYR 57 -10.080 -7.450 15.668 433 HB2 TYR 57 HB2 TYR 57 -8.027 -8.026 13.538 434 HB3 TYR 57 HB1 TYR 57 -9.250 -6.761 13.572 435 HD1 TYR 57 HD1 TYR 57 -9.007 -4.829 15.176 436 HD2 TYR 57 HD2 TYR 57 -5.945 -7.752 14.613 437 HE1 TYR 57 HE1 TYR 57 -7.375 -3.309 16.244 438 HE2 TYR 57 HE2 TYR 57 -4.290 -6.248 15.694 439 HH TYR 57 HH TYR 57 -4.807 -3.009 16.156 440 H CYS 58 HN CYS 58 -8.694 -10.517 15.674 441 HA CYS 58 HA CYS 58 -9.937 -11.753 13.446 442 HB2 CYS 58 HB2 CYS 58 -9.236 -12.884 16.163 443 HB3 CYS 58 HB1 CYS 58 -9.681 -13.850 14.762 444 H GLY 59 HN GLY 59 -12.045 -11.012 13.204 445 HA2 GLY 59 HA2 GLY 59 -14.099 -12.482 14.531 446 HA3 GLY 59 HA1 GLY 59 -14.009 -10.879 15.263 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 3.748 -14.895 14.518 2 H2 PHE 1 HT2 PHE 1 4.028 -13.393 13.775 3 H3 PHE 1 HT3 PHE 1 5.150 -14.016 14.887 4 HA PHE 1 HA PHE 1 5.237 -16.005 13.229 5 HB2 PHE 1 HB2 PHE 1 5.049 -14.055 11.037 6 HB3 PHE 1 HB1 PHE 1 4.302 -15.645 11.173 7 HD1 PHE 1 HD1 PHE 1 2.025 -15.904 11.946 8 HD2 PHE 1 HD2 PHE 1 3.923 -12.049 11.956 9 HE1 PHE 1 HE1 PHE 1 -0.169 -14.824 12.357 10 HE2 PHE 1 HE2 PHE 1 1.730 -10.968 12.364 11 HZ PHE 1 HZ PHE 1 -0.321 -12.358 12.566 12 H VAL 2 HN VAL 2 7.396 -16.188 13.336 13 HA VAL 2 HA VAL 2 9.603 -15.469 13.759 14 HB VAL 2 HB VAL 2 9.838 -16.044 11.535 15 HG11 VAL 2 HG11 VAL 2 8.925 -14.672 9.681 16 HG12 VAL 2 HG12 VAL 2 8.163 -13.628 10.873 17 HG13 VAL 2 HG13 VAL 2 7.695 -15.321 10.760 18 HG21 VAL 2 HG21 VAL 2 11.518 -14.666 10.753 19 HG22 VAL 2 HG22 VAL 2 11.390 -14.012 12.381 20 HG23 VAL 2 HG23 VAL 2 10.606 -13.187 11.035 21 H ASN 3 HN ASN 3 9.127 -12.606 11.821 22 HA ASN 3 HA ASN 3 8.446 -10.692 13.736 23 HB2 ASN 3 HB2 ASN 3 10.939 -9.837 14.127 24 HB3 ASN 3 HB1 ASN 3 10.240 -11.059 15.185 25 HD21 ASN 3 HD21 ASN 3 12.177 -10.796 12.155 26 HD22 ASN 3 HD22 ASN 3 13.061 -12.220 12.425 27 H GLN 4 HN GLN 4 7.590 -9.862 11.748 28 HA GLN 4 HA GLN 4 9.549 -8.235 10.220 29 HB2 GLN 4 HB2 GLN 4 7.494 -9.836 8.694 30 HB3 GLN 4 HB1 GLN 4 8.977 -9.084 8.104 31 HG2 GLN 4 HG2 GLN 4 10.301 -10.717 9.439 32 HG3 GLN 4 HG1 GLN 4 8.797 -11.500 9.926 33 HE21 GLN 4 HE21 GLN 4 10.895 -12.791 8.342 34 HE22 GLN 4 HE22 GLN 4 10.214 -13.169 6.833 35 H HIS 5 HN HIS 5 8.373 -6.630 8.812 36 HA HIS 5 HA HIS 5 6.082 -5.533 10.287 37 HB2 HIS 5 HB2 HIS 5 7.498 -4.514 7.804 38 HB3 HIS 5 HB1 HIS 5 6.336 -3.615 8.767 39 HD2 HIS 5 HD2 HIS 5 7.381 -3.750 11.724 40 HE1 HIS 5 HE1 HIS 5 11.261 -3.019 10.245 41 HE2 HIS 5 HE2 HIS 5 9.798 -3.006 12.322 42 H LEU 6 HN LEU 6 3.986 -5.788 9.669 43 HA LEU 6 HA LEU 6 3.408 -7.353 7.214 44 HB2 LEU 6 HB2 LEU 6 2.004 -6.666 9.750 45 HB3 LEU 6 HB1 LEU 6 0.983 -6.900 8.345 46 HG LEU 6 HG LEU 6 1.723 -9.152 8.056 47 HD11 LEU 6 HD11 LEU 6 3.500 -9.986 9.853 48 HD12 LEU 6 HD12 LEU 6 3.987 -8.292 9.826 49 HD13 LEU 6 HD13 LEU 6 4.024 -9.247 8.346 50 HD21 LEU 6 HD21 LEU 6 0.107 -8.901 9.862 51 HD22 LEU 6 HD22 LEU 6 1.398 -8.547 11.000 52 HD23 LEU 6 HD23 LEU 6 1.270 -10.146 10.289 53 H CYS 7 HN CYS 7 3.064 -6.207 5.353 54 HA CYS 7 HA CYS 7 1.461 -3.685 5.533 55 HB2 CYS 7 HB2 CYS 7 3.842 -4.162 3.724 56 HB3 CYS 7 HB1 CYS 7 2.869 -2.694 3.807 57 H GLY 8 HN GLY 8 -0.316 -3.817 4.350 58 HA2 GLY 8 HA2 GLY 8 -1.825 -4.438 2.689 59 HA3 GLY 8 HA1 GLY 8 -0.430 -4.779 1.666 60 H SER 9 HN SER 9 -0.962 -6.741 0.820 61 HA SER 9 HA SER 9 -2.466 -8.814 1.801 62 HB2 SER 9 HB2 SER 9 0.172 -9.398 0.460 63 HB3 SER 9 HB1 SER 9 -1.359 -10.253 0.292 64 HG SER 9 HG SER 9 -1.491 -8.998 -1.412 65 H HIS 10 HN HIS 10 0.866 -8.077 2.779 66 HA HIS 10 HA HIS 10 1.369 -10.479 4.211 67 HB2 HIS 10 HB2 HIS 10 2.954 -8.475 3.686 68 HB3 HIS 10 HB1 HIS 10 2.325 -7.795 5.180 69 HD2 HIS 10 HD2 HIS 10 2.331 -11.286 6.201 70 HE1 HIS 10 HE1 HIS 10 6.402 -10.241 6.619 71 HE2 HIS 10 HE2 HIS 10 4.626 -11.958 7.220 72 H LEU 11 HN LEU 11 -0.389 -7.545 5.091 73 HA LEU 11 HA LEU 11 -0.736 -8.284 7.844 74 HB2 LEU 11 HB2 LEU 11 -0.979 -5.937 6.981 75 HB3 LEU 11 HB1 LEU 11 -2.426 -6.441 6.125 76 HG LEU 11 HG LEU 11 -3.648 -6.713 8.096 77 HD11 LEU 11 HD11 LEU 11 -2.279 -8.010 9.542 78 HD12 LEU 11 HD12 LEU 11 -2.505 -6.489 10.402 79 HD13 LEU 11 HD13 LEU 11 -1.001 -6.792 9.547 80 HD21 LEU 11 HD21 LEU 11 -2.597 -4.270 7.535 81 HD22 LEU 11 HD22 LEU 11 -2.077 -4.453 9.209 82 HD23 LEU 11 HD23 LEU 11 -3.788 -4.556 8.798 83 H VAL 12 HN VAL 12 -2.914 -8.425 5.043 84 HA VAL 12 HA VAL 12 -5.018 -9.828 6.340 85 HB VAL 12 HB VAL 12 -4.053 -9.869 3.464 86 HG11 VAL 12 HG11 VAL 12 -5.867 -11.742 4.580 87 HG12 VAL 12 HG12 VAL 12 -5.668 -11.374 2.877 88 HG13 VAL 12 HG13 VAL 12 -6.896 -10.537 3.815 89 HG21 VAL 12 HG21 VAL 12 -6.422 -8.461 4.713 90 HG22 VAL 12 HG22 VAL 12 -5.768 -8.226 3.092 91 HG23 VAL 12 HG23 VAL 12 -4.839 -7.711 4.500 92 H GLU 13 HN GLU 13 -2.486 -11.154 4.209 93 HA GLU 13 HA GLU 13 -2.895 -13.859 4.562 94 HB2 GLU 13 HB2 GLU 13 -0.253 -12.380 4.481 95 HB3 GLU 13 HB1 GLU 13 -0.404 -14.131 4.319 96 HG2 GLU 13 HG2 GLU 13 -1.635 -13.950 2.298 97 HG3 GLU 13 HG1 GLU 13 -1.955 -12.235 2.559 98 H ALA 14 HN ALA 14 -1.563 -11.610 6.927 99 HA ALA 14 HA ALA 14 -0.773 -13.801 8.737 100 HB1 ALA 14 HB1 ALA 14 -0.472 -11.719 10.305 101 HB2 ALA 14 HB2 ALA 14 -0.719 -10.794 8.824 102 HB3 ALA 14 HB3 ALA 14 0.625 -11.929 8.939 103 H LEU 15 HN LEU 15 -3.055 -11.038 9.061 104 HA LEU 15 HA LEU 15 -4.412 -11.843 11.344 105 HB2 LEU 15 HB2 LEU 15 -5.442 -10.536 8.827 106 HB3 LEU 15 HB1 LEU 15 -6.482 -10.795 10.222 107 HG LEU 15 HG LEU 15 -3.822 -9.460 10.666 108 HD11 LEU 15 HD11 LEU 15 -5.040 -8.327 8.701 109 HD12 LEU 15 HD12 LEU 15 -4.622 -7.308 10.073 110 HD13 LEU 15 HD13 LEU 15 -6.270 -7.874 9.874 111 HD21 LEU 15 HD21 LEU 15 -5.286 -10.079 12.574 112 HD22 LEU 15 HD22 LEU 15 -6.584 -9.109 11.882 113 HD23 LEU 15 HD23 LEU 15 -5.108 -8.332 12.441 114 H TYR 16 HN TYR 16 -4.822 -13.060 8.057 115 HA TYR 16 HA TYR 16 -7.164 -14.570 8.364 116 HB2 TYR 16 HB2 TYR 16 -6.360 -14.562 6.180 117 HB3 TYR 16 HB1 TYR 16 -4.694 -14.776 6.688 118 HD1 TYR 16 HD1 TYR 16 -3.826 -16.752 5.782 119 HD2 TYR 16 HD2 TYR 16 -7.835 -16.738 7.326 120 HE1 TYR 16 HE1 TYR 16 -3.993 -19.183 5.360 121 HE2 TYR 16 HE2 TYR 16 -8.007 -19.175 6.894 122 HH TYR 16 HH TYR 16 -5.440 -21.136 6.389 123 H LEU 17 HN LEU 17 -3.834 -15.390 9.316 124 HA LEU 17 HA LEU 17 -4.591 -18.025 10.323 125 HB2 LEU 17 HB2 LEU 17 -2.087 -16.336 10.640 126 HB3 LEU 17 HB1 LEU 17 -2.277 -17.927 11.364 127 HG LEU 17 HG LEU 17 -2.883 -18.692 8.915 128 HD11 LEU 17 HD11 LEU 17 -1.646 -17.357 7.217 129 HD12 LEU 17 HD12 LEU 17 -1.321 -16.138 8.448 130 HD13 LEU 17 HD13 LEU 17 -2.976 -16.450 7.929 131 HD21 LEU 17 HD21 LEU 17 -0.408 -18.948 8.430 132 HD22 LEU 17 HD22 LEU 17 -0.904 -19.512 10.026 133 HD23 LEU 17 HD23 LEU 17 -0.096 -17.954 9.853 134 H VAL 18 HN VAL 18 -3.615 -14.942 11.794 135 HA VAL 18 HA VAL 18 -3.894 -15.580 14.505 136 HB VAL 18 HB VAL 18 -4.855 -12.998 13.253 137 HG11 VAL 18 HG11 VAL 18 -3.485 -13.493 15.894 138 HG12 VAL 18 HG12 VAL 18 -5.236 -13.389 15.702 139 HG13 VAL 18 HG13 VAL 18 -4.223 -11.993 15.333 140 HG21 VAL 18 HG21 VAL 18 -2.475 -12.242 13.547 141 HG22 VAL 18 HG22 VAL 18 -2.666 -13.489 12.316 142 HG23 VAL 18 HG23 VAL 18 -2.039 -13.912 13.908 143 H CYS 19 HN CYS 19 -6.433 -14.223 12.393 144 HA CYS 19 HA CYS 19 -8.532 -14.687 14.350 145 HB2 CYS 19 HB2 CYS 19 -8.936 -14.159 11.403 146 HB3 CYS 19 HB1 CYS 19 -9.953 -13.661 12.761 147 H GLY 20 HN GLY 20 -7.118 -16.546 11.761 148 HA2 GLY 20 HA2 GLY 20 -7.708 -18.643 10.872 149 HA3 GLY 20 HA1 GLY 20 -8.369 -18.967 12.478 150 H GLU 21 HN GLU 21 -10.544 -19.278 12.572 151 HA GLU 21 HA GLU 21 -12.166 -18.735 10.176 152 HB2 GLU 21 HB2 GLU 21 -13.133 -19.834 12.824 153 HB3 GLU 21 HB1 GLU 21 -13.873 -20.031 11.236 154 HG2 GLU 21 HG2 GLU 21 -12.759 -22.088 11.624 155 HG3 GLU 21 HG1 GLU 21 -11.677 -21.199 10.552 156 H ARG 22 HN ARG 22 -11.620 -17.315 13.318 157 HA ARG 22 HA ARG 22 -14.016 -15.876 13.681 158 HB2 ARG 22 HB2 ARG 22 -11.166 -15.021 14.264 159 HB3 ARG 22 HB1 ARG 22 -12.595 -14.203 14.888 160 HG2 ARG 22 HG2 ARG 22 -12.060 -17.153 15.333 161 HG3 ARG 22 HG1 ARG 22 -11.528 -15.909 16.459 162 HD2 ARG 22 HD2 ARG 22 -14.053 -15.145 16.382 163 HD3 ARG 22 HD1 ARG 22 -14.328 -16.786 15.798 164 HE ARG 22 HE ARG 22 -12.760 -17.149 18.046 165 HH11 ARG 22 HH11 ARG 22 -13.641 -17.419 20.111 166 HH12 ARG 22 HH12 ARG 22 -15.212 -16.775 20.459 167 HH21 ARG 22 HH21 ARG 22 -15.674 -15.477 17.277 168 HH22 ARG 22 HH22 ARG 22 -16.363 -15.675 18.854 169 H GLY 23 HN GLY 23 -11.233 -15.143 11.606 170 HA2 GLY 23 HA2 GLY 23 -11.160 -13.746 9.705 171 HA3 GLY 23 HA1 GLY 23 -12.898 -13.507 9.877 172 H PHE 24 HN PHE 24 -11.184 -11.386 9.223 173 HA PHE 24 HA PHE 24 -11.540 -9.613 11.606 174 HB2 PHE 24 HB2 PHE 24 -9.382 -8.497 11.065 175 HB3 PHE 24 HB1 PHE 24 -9.167 -10.167 11.557 176 HD1 PHE 24 HD1 PHE 24 -9.125 -11.969 9.679 177 HD2 PHE 24 HD2 PHE 24 -8.494 -7.769 9.023 178 HE1 PHE 24 HE1 PHE 24 -8.017 -12.480 7.519 179 HE2 PHE 24 HE2 PHE 24 -7.383 -8.282 6.854 180 HZ PHE 24 HZ PHE 24 -7.162 -10.634 6.115 181 H PHE 25 HN PHE 25 -11.274 -7.221 10.749 182 HA PHE 25 HA PHE 25 -12.649 -7.050 8.090 183 HB2 PHE 25 HB2 PHE 25 -13.810 -5.165 8.919 184 HB3 PHE 25 HB1 PHE 25 -13.814 -6.304 10.267 185 HD1 PHE 25 HD1 PHE 25 -12.786 -3.062 9.129 186 HD2 PHE 25 HD2 PHE 25 -12.029 -6.064 12.083 187 HE1 PHE 25 HE1 PHE 25 -11.597 -1.380 10.514 188 HE2 PHE 25 HE2 PHE 25 -10.836 -4.393 13.472 189 HZ PHE 25 HZ PHE 25 -10.618 -2.054 12.693 190 H TYR 26 HN TYR 26 -11.384 -6.202 6.492 191 HA TYR 26 HA TYR 26 -9.012 -4.551 7.266 192 HB2 TYR 26 HB2 TYR 26 -8.916 -6.635 5.663 193 HB3 TYR 26 HB1 TYR 26 -9.553 -5.519 4.455 194 HD1 TYR 26 HD1 TYR 26 -6.804 -6.065 6.867 195 HD2 TYR 26 HD2 TYR 26 -8.132 -3.833 3.460 196 HE1 TYR 26 HE1 TYR 26 -4.520 -5.175 6.575 197 HE2 TYR 26 HE2 TYR 26 -5.836 -2.919 3.171 198 HH TYR 26 HH TYR 26 -3.554 -3.479 3.756 199 H THR 27 HN THR 27 -9.594 -2.448 7.368 200 HA THR 27 HA THR 27 -11.522 -0.828 6.669 201 HB THR 27 HB THR 27 -9.306 0.007 7.290 202 HG1 THR 27 HG1 THR 27 -9.551 1.892 6.245 203 HG21 THR 27 HG21 THR 27 -8.369 -1.476 5.137 204 HG22 THR 27 HG22 THR 27 -7.438 -0.246 5.990 205 HG23 THR 27 HG23 THR 27 -8.307 0.174 4.518 206 HA PRO 28 HA PRO 28 -12.012 -2.352 2.332 207 HB2 PRO 28 HB2 PRO 28 -14.815 -1.668 2.453 208 HB3 PRO 28 HB1 PRO 28 -14.099 -3.284 2.401 209 HG2 PRO 28 HG2 PRO 28 -15.369 -2.013 4.658 210 HG3 PRO 28 HG1 PRO 28 -14.608 -3.610 4.610 211 HD2 PRO 28 HD2 PRO 28 -13.602 -1.185 5.860 212 HD3 PRO 28 HD1 PRO 28 -12.889 -2.806 5.888 213 H ARG 29 HN ARG 29 -10.937 -0.618 1.422 214 HA ARG 29 HA ARG 29 -10.675 1.391 0.271 215 HB2 ARG 29 HB2 ARG 29 -13.675 1.650 0.410 216 HB3 ARG 29 HB1 ARG 29 -12.582 2.235 -0.833 217 HG2 ARG 29 HG2 ARG 29 -13.269 0.335 -1.899 218 HG3 ARG 29 HG1 ARG 29 -11.957 -0.384 -1.007 219 HD2 ARG 29 HD2 ARG 29 -13.401 -1.660 0.264 220 HD3 ARG 29 HD1 ARG 29 -14.589 -0.362 0.399 221 HE ARG 29 HE ARG 29 -14.773 -1.117 -2.244 222 HH11 ARG 29 HH11 ARG 29 -16.176 -2.748 -2.945 223 HH12 ARG 29 HH12 ARG 29 -16.674 -3.980 -1.834 224 HH21 ARG 29 HH21 ARG 29 -14.849 -2.693 0.819 225 HH22 ARG 29 HH22 ARG 29 -15.922 -3.949 0.298 226 H THR 30 HN THR 30 -12.909 1.536 2.970 227 HA THR 30 HA THR 30 -13.050 4.302 3.401 228 HB THR 30 HB THR 30 -13.336 3.676 5.847 229 HG1 THR 30 HG1 THR 30 -12.858 1.121 4.716 230 HG21 THR 30 HG21 THR 30 -14.929 2.023 3.870 231 HG22 THR 30 HG22 THR 30 -15.195 3.740 4.169 232 HG23 THR 30 HG23 THR 30 -15.461 2.569 5.460 233 H GLU 31 HN GLU 31 -10.951 5.171 2.858 234 HA GLU 31 HA GLU 31 -8.717 4.535 4.716 235 HB2 GLU 31 HB2 GLU 31 -8.928 6.165 2.172 236 HB3 GLU 31 HB1 GLU 31 -7.485 6.182 3.187 237 HG2 GLU 31 HG2 GLU 31 -8.721 3.636 2.110 238 HG3 GLU 31 HG1 GLU 31 -7.423 4.504 1.289 239 H GLU 32 HN GLU 32 -11.364 6.405 4.865 240 HA GLU 32 HA GLU 32 -10.108 8.902 5.804 241 HB2 GLU 32 HB2 GLU 32 -13.013 8.060 5.934 242 HB3 GLU 32 HB1 GLU 32 -12.375 9.699 6.077 243 HG2 GLU 32 HG2 GLU 32 -11.410 9.395 3.738 244 HG3 GLU 32 HG1 GLU 32 -12.380 7.926 3.625 245 H GLY 33 HN GLY 33 -11.324 5.938 7.115 246 HA2 GLY 33 HA2 GLY 33 -12.141 6.471 9.683 247 HA3 GLY 33 HA1 GLY 33 -11.091 5.104 9.322 248 H SER 34 HN SER 34 -11.118 6.817 11.717 249 HA SER 34 HA SER 34 -8.504 8.238 11.518 250 HB2 SER 34 HB2 SER 34 -10.588 9.314 12.555 251 HB3 SER 34 HB1 SER 34 -10.366 8.194 13.895 252 HG SER 34 HG SER 34 -8.478 10.075 12.905 253 H ARG 35 HN ARG 35 -9.992 6.455 14.195 254 HA ARG 35 HA ARG 35 -7.494 5.541 15.216 255 HB2 ARG 35 HB2 ARG 35 -9.060 3.752 16.374 256 HB3 ARG 35 HB1 ARG 35 -9.166 5.446 16.839 257 HG2 ARG 35 HG2 ARG 35 -11.086 5.741 15.311 258 HG3 ARG 35 HG1 ARG 35 -10.968 4.053 14.839 259 HD2 ARG 35 HD2 ARG 35 -12.652 4.092 16.502 260 HD3 ARG 35 HD1 ARG 35 -11.212 3.508 17.337 261 HE ARG 35 HE ARG 35 -11.118 6.246 17.719 262 HH11 ARG 35 HH11 ARG 35 -12.097 7.268 19.481 263 HH12 ARG 35 HH12 ARG 35 -13.439 6.509 20.270 264 HH21 ARG 35 HH21 ARG 35 -13.442 3.741 18.182 265 HH22 ARG 35 HH22 ARG 35 -14.201 4.512 19.535 266 H ARG 36 HN ARG 36 -9.989 3.644 13.480 267 HA ARG 36 HA ARG 36 -8.474 1.281 13.225 268 HB2 ARG 36 HB2 ARG 36 -10.483 2.381 11.241 269 HB3 ARG 36 HB1 ARG 36 -9.973 0.698 11.381 270 HG2 ARG 36 HG2 ARG 36 -10.763 0.808 13.805 271 HG3 ARG 36 HG1 ARG 36 -11.528 2.333 13.385 272 HD2 ARG 36 HD2 ARG 36 -12.475 0.805 11.355 273 HD3 ARG 36 HD1 ARG 36 -12.296 -0.436 12.592 274 HE ARG 36 HE ARG 36 -14.407 1.435 12.470 275 HH11 ARG 36 HH11 ARG 36 -15.554 2.181 14.250 276 HH12 ARG 36 HH12 ARG 36 -14.914 1.945 15.842 277 HH21 ARG 36 HH21 ARG 36 -12.068 0.311 14.752 278 HH22 ARG 36 HH22 ARG 36 -12.941 0.897 16.123 279 H SER 37 HN SER 37 -8.342 0.717 10.506 280 HA SER 37 HA SER 37 -6.720 0.757 8.815 281 HB2 SER 37 HB2 SER 37 -7.958 2.436 7.792 282 HB3 SER 37 HB1 SER 37 -7.684 3.582 9.100 283 HG SER 37 HG SER 37 -6.411 4.115 7.307 284 H ARG 38 HN ARG 38 -5.724 3.936 10.002 285 HA ARG 38 HA ARG 38 -2.965 3.256 9.991 286 HB2 ARG 38 HB2 ARG 38 -2.652 5.306 11.369 287 HB3 ARG 38 HB1 ARG 38 -3.707 5.591 9.984 288 HG2 ARG 38 HG2 ARG 38 -5.682 5.233 11.455 289 HG3 ARG 38 HG1 ARG 38 -4.597 5.066 12.834 290 HD2 ARG 38 HD2 ARG 38 -5.156 7.514 11.169 291 HD3 ARG 38 HD1 ARG 38 -5.220 7.335 12.922 292 HE ARG 38 HE ARG 38 -2.561 6.852 12.292 293 HH11 ARG 38 HH11 ARG 38 -1.007 8.484 12.203 294 HH12 ARG 38 HH12 ARG 38 -1.502 10.120 11.921 295 HH21 ARG 38 HH21 ARG 38 -4.875 9.343 11.711 296 HH22 ARG 38 HH22 ARG 38 -3.693 10.607 11.642 297 H GLY 39 HN GLY 39 -5.447 2.494 12.220 298 HA2 GLY 39 HA2 GLY 39 -3.639 2.080 14.501 299 HA3 GLY 39 HA1 GLY 39 -5.351 1.650 14.440 300 H ILE 40 HN ILE 40 -5.068 0.236 11.878 301 HA ILE 40 HA ILE 40 -3.897 -2.277 12.943 302 HB ILE 40 HB ILE 40 -6.358 -1.874 12.046 303 HG12 ILE 40 HG12 ILE 40 -6.129 -4.043 12.774 304 HG13 ILE 40 HG11 ILE 40 -6.248 -4.367 11.061 305 HG21 ILE 40 HG21 ILE 40 -4.954 -2.637 9.479 306 HG22 ILE 40 HG22 ILE 40 -5.635 -1.052 9.843 307 HG23 ILE 40 HG23 ILE 40 -6.688 -2.454 9.723 308 HD11 ILE 40 HD11 ILE 40 -3.631 -4.238 11.089 309 HD12 ILE 40 HD12 ILE 40 -4.417 -5.672 11.706 310 HD13 ILE 40 HD13 ILE 40 -3.797 -4.475 12.826 311 H VAL 41 HN VAL 41 -3.992 -0.466 9.808 312 HA VAL 41 HA VAL 41 -1.949 -2.115 8.627 313 HB VAL 41 HB VAL 41 -2.476 0.734 7.770 314 HG11 VAL 41 HG11 VAL 41 -2.030 -0.213 5.549 315 HG12 VAL 41 HG12 VAL 41 -1.890 -1.827 6.246 316 HG13 VAL 41 HG13 VAL 41 -0.698 -0.589 6.642 317 HG21 VAL 41 HG21 VAL 41 -4.690 -0.067 7.989 318 HG22 VAL 41 HG22 VAL 41 -4.249 -1.695 7.477 319 HG23 VAL 41 HG23 VAL 41 -4.295 -0.381 6.303 320 H GLU 42 HN GLU 42 -1.635 1.355 9.537 321 HA GLU 42 HA GLU 42 1.186 1.376 9.322 322 HB2 GLU 42 HB2 GLU 42 -0.638 3.066 11.043 323 HB3 GLU 42 HB1 GLU 42 1.077 3.396 10.814 324 HG2 GLU 42 HG2 GLU 42 0.704 3.522 8.363 325 HG3 GLU 42 HG1 GLU 42 -1.020 3.263 8.629 326 H GLN 43 HN GLN 43 -0.793 0.905 12.275 327 HA GLN 43 HA GLN 43 1.228 0.663 14.168 328 HB2 GLN 43 HB2 GLN 43 -1.223 0.449 14.617 329 HB3 GLN 43 HB1 GLN 43 -1.165 -1.184 13.953 330 HG2 GLN 43 HG2 GLN 43 0.185 -1.990 15.711 331 HG3 GLN 43 HG1 GLN 43 0.687 -0.370 16.195 332 HE21 GLN 43 HE21 GLN 43 -2.336 -2.330 15.922 333 HE22 GLN 43 HE22 GLN 43 -3.061 -1.667 17.306 334 H CYS 44 HN CYS 44 0.029 -1.967 12.060 335 HA CYS 44 HA CYS 44 2.173 -3.757 12.943 336 HB2 CYS 44 HB2 CYS 44 -0.033 -4.002 10.879 337 HB3 CYS 44 HB1 CYS 44 1.098 -5.290 11.265 338 H CYS 45 HN CYS 45 1.259 -2.263 9.832 339 HA CYS 45 HA CYS 45 3.577 -3.109 8.398 340 HB2 CYS 45 HB2 CYS 45 1.547 -2.200 7.300 341 HB3 CYS 45 HB1 CYS 45 1.896 -0.618 7.992 342 H ARG 46 HN ARG 46 2.929 -0.030 10.103 343 HA ARG 46 HA ARG 46 5.525 1.052 9.553 344 HB2 ARG 46 HB2 ARG 46 3.326 2.195 10.448 345 HB3 ARG 46 HB1 ARG 46 3.973 1.787 12.033 346 HG2 ARG 46 HG2 ARG 46 5.515 3.321 9.918 347 HG3 ARG 46 HG1 ARG 46 4.596 4.085 11.204 348 HD2 ARG 46 HD2 ARG 46 6.135 2.320 12.650 349 HD3 ARG 46 HD1 ARG 46 7.232 2.731 11.337 350 HE ARG 46 HE ARG 46 6.728 4.364 13.562 351 HH11 ARG 46 HH11 ARG 46 6.887 6.598 13.573 352 HH12 ARG 46 HH12 ARG 46 6.853 7.469 12.077 353 HH21 ARG 46 HH21 ARG 46 6.543 4.638 10.119 354 HH22 ARG 46 HH22 ARG 46 6.650 6.362 10.129 355 H SER 47 HN SER 47 4.251 -0.890 12.264 356 HA SER 47 HA SER 47 7.085 -1.443 13.061 357 HB2 SER 47 HB2 SER 47 4.848 -0.676 14.962 358 HB3 SER 47 HB1 SER 47 6.444 -1.238 15.449 359 HG SER 47 HG SER 47 6.787 0.700 13.689 360 H ILE 48 HN ILE 48 7.350 -3.501 14.123 361 HA ILE 48 HA ILE 48 5.529 -5.525 13.173 362 HB ILE 48 HB ILE 48 7.593 -5.846 15.367 363 HG12 ILE 48 HG12 ILE 48 7.946 -5.937 12.353 364 HG13 ILE 48 HG11 ILE 48 8.642 -4.737 13.443 365 HG21 ILE 48 HG21 ILE 48 5.932 -7.703 14.850 366 HG22 ILE 48 HG22 ILE 48 7.630 -8.146 14.679 367 HG23 ILE 48 HG23 ILE 48 6.661 -7.798 13.247 368 HD11 ILE 48 HD11 ILE 48 10.364 -6.357 13.017 369 HD12 ILE 48 HD12 ILE 48 9.261 -7.698 13.327 370 HD13 ILE 48 HD13 ILE 48 9.780 -6.658 14.654 371 H CYS 49 HN CYS 49 3.463 -5.315 14.015 372 HA CYS 49 HA CYS 49 3.041 -4.845 16.877 373 HB2 CYS 49 HB2 CYS 49 0.660 -5.002 16.322 374 HB3 CYS 49 HB1 CYS 49 1.471 -3.966 15.155 375 H SER 50 HN SER 50 2.447 -6.414 18.390 376 HA SER 50 HA SER 50 3.232 -9.135 17.831 377 HB2 SER 50 HB2 SER 50 1.570 -8.252 20.192 378 HB3 SER 50 HB1 SER 50 2.720 -9.583 20.106 379 HG SER 50 HG SER 50 4.368 -8.015 19.821 380 H LEU 51 HN LEU 51 1.811 -11.024 18.024 381 HA LEU 51 HA LEU 51 -0.432 -10.971 16.325 382 HB2 LEU 51 HB2 LEU 51 -0.087 -12.891 18.644 383 HB3 LEU 51 HB1 LEU 51 -0.940 -13.184 17.130 384 HG LEU 51 HG LEU 51 2.039 -12.673 17.387 385 HD11 LEU 51 HD11 LEU 51 0.620 -15.227 16.607 386 HD12 LEU 51 HD12 LEU 51 1.146 -14.889 18.256 387 HD13 LEU 51 HD13 LEU 51 2.334 -15.009 16.958 388 HD21 LEU 51 HD21 LEU 51 1.896 -13.562 14.946 389 HD22 LEU 51 HD22 LEU 51 1.409 -11.895 15.242 390 HD23 LEU 51 HD23 LEU 51 0.184 -13.150 15.048 391 H TYR 52 HN TYR 52 -0.205 -10.361 19.783 392 HA TYR 52 HA TYR 52 -2.881 -10.556 20.570 393 HB2 TYR 52 HB2 TYR 52 -0.769 -9.799 21.913 394 HB3 TYR 52 HB1 TYR 52 -1.215 -8.177 21.402 395 HD1 TYR 52 HD1 TYR 52 -3.564 -7.355 21.900 396 HD2 TYR 52 HD2 TYR 52 -1.902 -10.870 23.709 397 HE1 TYR 52 HE1 TYR 52 -5.283 -7.242 23.687 398 HE2 TYR 52 HE2 TYR 52 -3.618 -10.764 25.498 399 HH TYR 52 HH TYR 52 -5.094 -8.606 26.500 400 H GLN 53 HN GLN 53 -1.299 -7.680 19.131 401 HA GLN 53 HA GLN 53 -3.691 -6.122 18.937 402 HB2 GLN 53 HB2 GLN 53 -1.312 -5.995 17.069 403 HB3 GLN 53 HB1 GLN 53 -2.446 -4.696 17.445 404 HG2 GLN 53 HG2 GLN 53 -1.710 -4.852 19.849 405 HG3 GLN 53 HG1 GLN 53 -0.462 -5.983 19.336 406 HE21 GLN 53 HE21 GLN 53 1.493 -5.036 18.772 407 HE22 GLN 53 HE22 GLN 53 1.698 -3.415 18.312 408 H LEU 54 HN LEU 54 -2.038 -8.130 16.460 409 HA LEU 54 HA LEU 54 -3.971 -7.788 14.432 410 HB2 LEU 54 HB2 LEU 54 -2.300 -10.207 15.045 411 HB3 LEU 54 HB1 LEU 54 -3.165 -9.946 13.535 412 HG LEU 54 HG LEU 54 -1.058 -8.094 14.663 413 HD11 LEU 54 HD11 LEU 54 0.465 -9.019 13.072 414 HD12 LEU 54 HD12 LEU 54 -0.820 -9.887 12.233 415 HD13 LEU 54 HD13 LEU 54 -0.301 -10.408 13.837 416 HD21 LEU 54 HD21 LEU 54 -1.203 -7.348 12.123 417 HD22 LEU 54 HD22 LEU 54 -2.349 -6.716 13.294 418 HD23 LEU 54 HD23 LEU 54 -2.821 -8.036 12.227 419 H GLU 55 HN GLU 55 -3.887 -9.828 17.223 420 HA GLU 55 HA GLU 55 -6.234 -11.377 16.536 421 HB2 GLU 55 HB2 GLU 55 -4.340 -11.969 18.213 422 HB3 GLU 55 HB1 GLU 55 -5.241 -10.958 19.338 423 HG2 GLU 55 HG2 GLU 55 -7.292 -12.364 18.753 424 HG3 GLU 55 HG1 GLU 55 -6.178 -13.478 17.961 425 H ASN 56 HN ASN 56 -5.761 -8.206 17.500 426 HA ASN 56 HA ASN 56 -8.136 -7.929 19.176 427 HB2 ASN 56 HB2 ASN 56 -5.998 -6.481 19.189 428 HB3 ASN 56 HB1 ASN 56 -6.687 -5.679 17.778 429 HD21 ASN 56 HD21 ASN 56 -6.260 -4.432 20.408 430 HD22 ASN 56 HD22 ASN 56 -7.787 -3.974 20.986 431 H TYR 57 HN TYR 57 -7.495 -7.808 15.761 432 HA TYR 57 HA TYR 57 -10.092 -6.451 15.224 433 HB2 TYR 57 HB2 TYR 57 -8.077 -7.333 13.164 434 HB3 TYR 57 HB1 TYR 57 -9.234 -6.014 13.070 435 HD1 TYR 57 HD1 TYR 57 -8.897 -3.953 14.549 436 HD2 TYR 57 HD2 TYR 57 -5.968 -7.033 14.137 437 HE1 TYR 57 HE1 TYR 57 -7.183 -2.429 15.463 438 HE2 TYR 57 HE2 TYR 57 -4.228 -5.519 15.059 439 HH TYR 57 HH TYR 57 -4.550 -3.201 16.775 440 H CYS 58 HN CYS 58 -8.849 -9.565 15.539 441 HA CYS 58 HA CYS 58 -10.161 -10.964 13.452 442 HB2 CYS 58 HB2 CYS 58 -9.468 -11.839 16.262 443 HB3 CYS 58 HB1 CYS 58 -9.991 -12.927 14.981 444 H GLY 59 HN GLY 59 -12.250 -10.267 13.110 445 HA2 GLY 59 HA2 GLY 59 -14.269 -11.328 14.947 446 HA3 GLY 59 HA1 GLY 59 -14.253 -9.566 14.860 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 4.087 -16.921 13.497 2 H2 PHE 1 HT2 PHE 1 3.098 -17.073 12.124 3 H3 PHE 1 HT3 PHE 1 3.115 -15.620 13.006 4 HA PHE 1 HA PHE 1 5.328 -16.752 11.390 5 HB2 PHE 1 HB2 PHE 1 4.978 -14.349 10.347 6 HB3 PHE 1 HB1 PHE 1 3.921 -15.676 9.872 7 HD1 PHE 1 HD1 PHE 1 1.759 -16.018 11.297 8 HD2 PHE 1 HD2 PHE 1 4.035 -12.378 11.212 9 HE1 PHE 1 HE1 PHE 1 -0.215 -14.766 12.120 10 HE2 PHE 1 HE2 PHE 1 2.059 -11.115 12.029 11 HZ PHE 1 HZ PHE 1 -0.071 -12.323 12.486 12 H VAL 2 HN VAL 2 7.295 -15.514 11.477 13 HA VAL 2 HA VAL 2 8.140 -14.738 14.049 14 HB VAL 2 HB VAL 2 9.980 -13.470 12.750 15 HG11 VAL 2 HG11 VAL 2 10.241 -15.772 13.569 16 HG12 VAL 2 HG12 VAL 2 10.991 -15.587 11.983 17 HG13 VAL 2 HG13 VAL 2 9.424 -16.384 12.131 18 HG21 VAL 2 HG21 VAL 2 8.439 -13.153 10.745 19 HG22 VAL 2 HG22 VAL 2 8.663 -14.869 10.408 20 HG23 VAL 2 HG23 VAL 2 10.046 -13.775 10.371 21 H ASN 3 HN ASN 3 9.273 -12.303 14.048 22 HA ASN 3 HA ASN 3 6.916 -10.484 14.116 23 HB2 ASN 3 HB2 ASN 3 9.717 -9.936 15.131 24 HB3 ASN 3 HB1 ASN 3 8.227 -9.102 15.572 25 HD21 ASN 3 HD21 ASN 3 9.180 -12.590 15.425 26 HD22 ASN 3 HD22 ASN 3 8.634 -12.949 16.991 27 H GLN 4 HN GLN 4 6.602 -9.366 12.246 28 HA GLN 4 HA GLN 4 8.873 -7.875 11.083 29 HB2 GLN 4 HB2 GLN 4 8.294 -8.704 8.773 30 HB3 GLN 4 HB1 GLN 4 9.019 -9.929 9.814 31 HG2 GLN 4 HG2 GLN 4 6.675 -10.689 10.398 32 HG3 GLN 4 HG1 GLN 4 6.082 -9.600 9.144 33 HE21 GLN 4 HE21 GLN 4 8.968 -11.765 9.196 34 HE22 GLN 4 HE22 GLN 4 8.532 -12.621 7.796 35 H HIS 5 HN HIS 5 8.054 -6.325 9.392 36 HA HIS 5 HA HIS 5 5.653 -5.029 10.348 37 HB2 HIS 5 HB2 HIS 5 6.139 -3.639 8.114 38 HB3 HIS 5 HB1 HIS 5 7.150 -3.444 9.538 39 HD2 HIS 5 HD2 HIS 5 9.565 -5.215 9.417 40 HE1 HIS 5 HE1 HIS 5 9.582 -5.062 5.203 41 HE2 HIS 5 HE2 HIS 5 10.950 -5.653 7.259 42 H LEU 6 HN LEU 6 3.628 -5.105 9.509 43 HA LEU 6 HA LEU 6 3.132 -6.927 7.168 44 HB2 LEU 6 HB2 LEU 6 1.787 -6.454 9.786 45 HB3 LEU 6 HB1 LEU 6 0.721 -6.695 8.414 46 HG LEU 6 HG LEU 6 1.610 -8.873 7.983 47 HD11 LEU 6 HD11 LEU 6 3.921 -8.824 8.193 48 HD12 LEU 6 HD12 LEU 6 3.509 -9.645 9.692 49 HD13 LEU 6 HD13 LEU 6 3.873 -7.920 9.705 50 HD21 LEU 6 HD21 LEU 6 1.352 -8.421 10.960 51 HD22 LEU 6 HD22 LEU 6 1.312 -9.993 10.187 52 HD23 LEU 6 HD23 LEU 6 0.047 -8.822 9.854 53 H CYS 7 HN CYS 7 2.640 -5.732 5.357 54 HA CYS 7 HA CYS 7 0.856 -3.350 5.694 55 HB2 CYS 7 HB2 CYS 7 3.164 -3.607 3.753 56 HB3 CYS 7 HB1 CYS 7 2.099 -2.213 3.934 57 H GLY 8 HN GLY 8 -0.967 -3.555 4.600 58 HA2 GLY 8 HA2 GLY 8 -2.533 -4.240 3.018 59 HA3 GLY 8 HA1 GLY 8 -1.184 -4.415 1.897 60 H SER 9 HN SER 9 -1.557 -6.375 0.983 61 HA SER 9 HA SER 9 -2.849 -8.609 1.918 62 HB2 SER 9 HB2 SER 9 -0.240 -8.735 0.386 63 HB3 SER 9 HB1 SER 9 -1.520 -9.944 0.393 64 HG SER 9 HG SER 9 -2.209 -7.325 -0.267 65 H HIS 10 HN HIS 10 0.454 -7.638 2.792 66 HA HIS 10 HA HIS 10 1.207 -10.048 4.096 67 HB2 HIS 10 HB2 HIS 10 2.618 -7.921 3.595 68 HB3 HIS 10 HB1 HIS 10 1.987 -7.332 5.127 69 HD2 HIS 10 HD2 HIS 10 5.079 -7.847 5.437 70 HE1 HIS 10 HE1 HIS 10 4.178 -11.733 6.824 71 HE2 HIS 10 HE2 HIS 10 5.977 -9.942 6.688 72 H LEU 11 HN LEU 11 -0.717 -7.291 5.170 73 HA LEU 11 HA LEU 11 -0.906 -8.176 7.901 74 HB2 LEU 11 HB2 LEU 11 -1.318 -5.812 7.184 75 HB3 LEU 11 HB1 LEU 11 -2.749 -6.354 6.326 76 HG LEU 11 HG LEU 11 -3.894 -6.846 8.309 77 HD11 LEU 11 HD11 LEU 11 -2.692 -6.591 10.593 78 HD12 LEU 11 HD12 LEU 11 -1.206 -6.756 9.674 79 HD13 LEU 11 HD13 LEU 11 -2.390 -8.065 9.674 80 HD21 LEU 11 HD21 LEU 11 -3.116 -4.303 7.813 81 HD22 LEU 11 HD22 LEU 11 -2.474 -4.489 9.443 82 HD23 LEU 11 HD23 LEU 11 -4.190 -4.744 9.134 83 H VAL 12 HN VAL 12 -3.100 -8.351 5.134 84 HA VAL 12 HA VAL 12 -5.118 -9.905 6.404 85 HB VAL 12 HB VAL 12 -4.184 -9.637 3.541 86 HG11 VAL 12 HG11 VAL 12 -5.192 -11.658 3.126 87 HG12 VAL 12 HG12 VAL 12 -6.694 -10.754 3.288 88 HG13 VAL 12 HG13 VAL 12 -6.061 -11.663 4.654 89 HG21 VAL 12 HG21 VAL 12 -6.729 -8.776 4.930 90 HG22 VAL 12 HG22 VAL 12 -6.208 -8.331 3.305 91 HG23 VAL 12 HG23 VAL 12 -5.314 -7.747 4.709 92 H GLU 13 HN GLU 13 -2.568 -11.001 4.180 93 HA GLU 13 HA GLU 13 -2.825 -13.739 4.447 94 HB2 GLU 13 HB2 GLU 13 -0.260 -12.129 4.333 95 HB3 GLU 13 HB1 GLU 13 -0.346 -13.875 4.085 96 HG2 GLU 13 HG2 GLU 13 -1.641 -13.650 2.115 97 HG3 GLU 13 HG1 GLU 13 -2.056 -11.976 2.483 98 H ALA 14 HN ALA 14 -1.545 -11.495 6.854 99 HA ALA 14 HA ALA 14 -0.574 -13.702 8.555 100 HB1 ALA 14 HB1 ALA 14 -0.633 -10.705 8.693 101 HB2 ALA 14 HB2 ALA 14 0.740 -11.798 8.842 102 HB3 ALA 14 HB3 ALA 14 -0.388 -11.611 10.185 103 H LEU 15 HN LEU 15 -3.002 -11.088 9.056 104 HA LEU 15 HA LEU 15 -4.218 -12.069 11.353 105 HB2 LEU 15 HB2 LEU 15 -5.408 -10.702 8.947 106 HB3 LEU 15 HB1 LEU 15 -6.396 -11.106 10.344 107 HG LEU 15 HG LEU 15 -3.819 -9.613 10.793 108 HD11 LEU 15 HD11 LEU 15 -6.400 -8.148 10.232 109 HD12 LEU 15 HD12 LEU 15 -5.250 -8.478 8.946 110 HD13 LEU 15 HD13 LEU 15 -4.770 -7.505 10.328 111 HD21 LEU 15 HD21 LEU 15 -6.549 -9.550 12.129 112 HD22 LEU 15 HD22 LEU 15 -5.113 -8.696 12.681 113 HD23 LEU 15 HD23 LEU 15 -5.154 -10.455 12.714 114 H TYR 16 HN TYR 16 -4.694 -13.161 8.030 115 HA TYR 16 HA TYR 16 -6.938 -14.807 8.348 116 HB2 TYR 16 HB2 TYR 16 -6.213 -14.675 6.142 117 HB3 TYR 16 HB1 TYR 16 -4.522 -14.801 6.587 118 HD1 TYR 16 HD1 TYR 16 -3.558 -16.684 5.578 119 HD2 TYR 16 HD2 TYR 16 -7.512 -16.984 7.232 120 HE1 TYR 16 HE1 TYR 16 -3.590 -19.102 5.056 121 HE2 TYR 16 HE2 TYR 16 -7.547 -19.406 6.701 122 HH TYR 16 HH TYR 16 -6.041 -20.873 4.710 123 H LEU 17 HN LEU 17 -3.541 -15.486 9.160 124 HA LEU 17 HA LEU 17 -4.125 -18.199 10.077 125 HB2 LEU 17 HB2 LEU 17 -1.712 -16.384 10.387 126 HB3 LEU 17 HB1 LEU 17 -1.787 -18.010 11.053 127 HG LEU 17 HG LEU 17 -2.432 -18.707 8.589 128 HD11 LEU 17 HD11 LEU 17 -1.320 -17.245 6.915 129 HD12 LEU 17 HD12 LEU 17 -0.999 -16.068 8.187 130 HD13 LEU 17 HD13 LEU 17 -2.658 -16.424 7.713 131 HD21 LEU 17 HD21 LEU 17 -0.349 -19.362 9.755 132 HD22 LEU 17 HD22 LEU 17 0.378 -17.816 9.316 133 HD23 LEU 17 HD23 LEU 17 -0.038 -18.983 8.061 134 H VAL 18 HN VAL 18 -3.263 -15.131 11.643 135 HA VAL 18 HA VAL 18 -3.416 -15.890 14.334 136 HB VAL 18 HB VAL 18 -4.549 -13.315 13.219 137 HG11 VAL 18 HG11 VAL 18 -3.928 -12.362 15.325 138 HG12 VAL 18 HG12 VAL 18 -3.086 -13.836 15.803 139 HG13 VAL 18 HG13 VAL 18 -4.844 -13.832 15.659 140 HG21 VAL 18 HG21 VAL 18 -1.665 -14.039 13.828 141 HG22 VAL 18 HG22 VAL 18 -2.237 -12.420 13.425 142 HG23 VAL 18 HG23 VAL 18 -2.331 -13.712 12.228 143 H CYS 19 HN CYS 19 -6.087 -14.592 12.356 144 HA CYS 19 HA CYS 19 -8.093 -15.301 14.354 145 HB2 CYS 19 HB2 CYS 19 -8.566 -14.519 11.470 146 HB3 CYS 19 HB1 CYS 19 -9.627 -14.258 12.860 147 H GLY 20 HN GLY 20 -6.657 -16.837 11.571 148 HA2 GLY 20 HA2 GLY 20 -7.124 -18.895 10.531 149 HA3 GLY 20 HA1 GLY 20 -7.746 -19.385 12.111 150 H GLU 21 HN GLU 21 -9.872 -19.919 12.128 151 HA GLU 21 HA GLU 21 -11.561 -19.217 9.824 152 HB2 GLU 21 HB2 GLU 21 -12.385 -20.692 12.337 153 HB3 GLU 21 HB1 GLU 21 -13.162 -20.743 10.755 154 HG2 GLU 21 HG2 GLU 21 -11.899 -22.743 10.837 155 HG3 GLU 21 HG1 GLU 21 -10.904 -21.646 9.879 156 H ARG 22 HN ARG 22 -11.012 -18.081 13.055 157 HA ARG 22 HA ARG 22 -13.501 -16.898 13.663 158 HB2 ARG 22 HB2 ARG 22 -10.717 -15.829 14.227 159 HB3 ARG 22 HB1 ARG 22 -12.193 -15.282 15.018 160 HG2 ARG 22 HG2 ARG 22 -12.593 -17.564 15.868 161 HG3 ARG 22 HG1 ARG 22 -11.114 -18.114 15.083 162 HD2 ARG 22 HD2 ARG 22 -11.066 -15.823 17.047 163 HD3 ARG 22 HD1 ARG 22 -10.987 -17.496 17.597 164 HE ARG 22 HE ARG 22 -9.026 -17.356 15.646 165 HH11 ARG 22 HH11 ARG 22 -6.885 -16.805 16.118 166 HH12 ARG 22 HH12 ARG 22 -6.540 -15.843 17.516 167 HH21 ARG 22 HH21 ARG 22 -9.860 -15.582 18.483 168 HH22 ARG 22 HH22 ARG 22 -8.224 -15.150 18.855 169 H GLY 23 HN GLY 23 -10.886 -15.755 11.562 170 HA2 GLY 23 HA2 GLY 23 -11.009 -14.209 9.787 171 HA3 GLY 23 HA1 GLY 23 -12.746 -14.103 10.063 172 H PHE 24 HN PHE 24 -11.125 -11.858 9.501 173 HA PHE 24 HA PHE 24 -11.511 -10.261 12.000 174 HB2 PHE 24 HB2 PHE 24 -9.420 -9.007 11.460 175 HB3 PHE 24 HB1 PHE 24 -9.121 -10.688 11.867 176 HD1 PHE 24 HD1 PHE 24 -9.037 -12.399 9.900 177 HD2 PHE 24 HD2 PHE 24 -8.628 -8.144 9.429 178 HE1 PHE 24 HE1 PHE 24 -7.969 -12.751 7.686 179 HE2 PHE 24 HE2 PHE 24 -7.556 -8.502 7.209 180 HZ PHE 24 HZ PHE 24 -7.250 -10.797 6.352 181 H PHE 25 HN PHE 25 -11.415 -7.804 11.300 182 HA PHE 25 HA PHE 25 -12.868 -7.545 8.694 183 HB2 PHE 25 HB2 PHE 25 -14.139 -5.840 9.668 184 HB3 PHE 25 HB1 PHE 25 -13.910 -6.938 11.027 185 HD1 PHE 25 HD1 PHE 25 -13.179 -3.690 9.651 186 HD2 PHE 25 HD2 PHE 25 -12.140 -6.434 12.759 187 HE1 PHE 25 HE1 PHE 25 -12.062 -1.846 10.883 188 HE2 PHE 25 HE2 PHE 25 -11.015 -4.604 13.997 189 HZ PHE 25 HZ PHE 25 -10.980 -2.307 13.065 190 H TYR 26 HN TYR 26 -11.765 -6.483 7.101 191 HA TYR 26 HA TYR 26 -9.327 -4.933 7.858 192 HB2 TYR 26 HB2 TYR 26 -9.458 -6.776 5.968 193 HB3 TYR 26 HB1 TYR 26 -10.148 -5.474 5.002 194 HD1 TYR 26 HD1 TYR 26 -7.262 -6.221 7.258 195 HD2 TYR 26 HD2 TYR 26 -8.697 -3.945 3.917 196 HE1 TYR 26 HE1 TYR 26 -4.980 -5.352 6.883 197 HE2 TYR 26 HE2 TYR 26 -6.404 -3.053 3.550 198 HH TYR 26 HH TYR 26 -3.817 -4.252 4.390 199 H THR 27 HN THR 27 -9.015 -2.806 6.783 200 HA THR 27 HA THR 27 -11.305 -1.143 7.082 201 HB THR 27 HB THR 27 -9.026 -0.281 7.348 202 HG1 THR 27 HG1 THR 27 -10.301 0.893 5.105 203 HG21 THR 27 HG21 THR 27 -8.725 -0.515 4.353 204 HG22 THR 27 HG22 THR 27 -8.144 -1.765 5.452 205 HG23 THR 27 HG23 THR 27 -7.484 -0.133 5.545 206 HA PRO 28 HA PRO 28 -13.065 -1.970 3.023 207 HB2 PRO 28 HB2 PRO 28 -14.668 0.356 2.869 208 HB3 PRO 28 HB1 PRO 28 -15.163 -1.193 3.569 209 HG2 PRO 28 HG2 PRO 28 -14.410 1.318 4.951 210 HG3 PRO 28 HG1 PRO 28 -15.347 -0.051 5.556 211 HD2 PRO 28 HD2 PRO 28 -12.671 0.525 6.241 212 HD3 PRO 28 HD1 PRO 28 -13.502 -1.021 6.506 213 H ARG 29 HN ARG 29 -11.910 -1.562 1.185 214 HA ARG 29 HA ARG 29 -10.567 -0.442 -0.365 215 HB2 ARG 29 HB2 ARG 29 -12.336 1.880 0.444 216 HB3 ARG 29 HB1 ARG 29 -11.461 1.705 -1.073 217 HG2 ARG 29 HG2 ARG 29 -13.531 0.911 -1.756 218 HG3 ARG 29 HG1 ARG 29 -12.820 -0.597 -1.211 219 HD2 ARG 29 HD2 ARG 29 -14.083 -0.593 0.805 220 HD3 ARG 29 HD1 ARG 29 -14.461 1.127 0.665 221 HE ARG 29 HE ARG 29 -15.620 0.050 -1.588 222 HH11 ARG 29 HH11 ARG 29 -17.745 -0.716 -1.620 223 HH12 ARG 29 HH12 ARG 29 -18.471 -1.279 -0.152 224 HH21 ARG 29 HH21 ARG 29 -15.666 -0.661 1.786 225 HH22 ARG 29 HH22 ARG 29 -17.296 -1.246 1.776 226 H THR 30 HN THR 30 -11.132 2.373 1.759 227 HA THR 30 HA THR 30 -8.545 2.197 3.029 228 HB THR 30 HB THR 30 -7.321 2.987 1.263 229 HG1 THR 30 HG1 THR 30 -6.948 5.014 1.658 230 HG21 THR 30 HG21 THR 30 -9.979 3.932 0.217 231 HG22 THR 30 HG22 THR 30 -8.858 2.769 -0.492 232 HG23 THR 30 HG23 THR 30 -8.478 4.489 -0.520 233 H GLU 31 HN GLU 31 -9.895 2.664 4.861 234 HA GLU 31 HA GLU 31 -11.401 5.177 4.927 235 HB2 GLU 31 HB2 GLU 31 -10.752 3.044 6.968 236 HB3 GLU 31 HB1 GLU 31 -11.497 4.567 7.455 237 HG2 GLU 31 HG2 GLU 31 -12.628 2.797 5.275 238 HG3 GLU 31 HG1 GLU 31 -13.132 2.694 6.963 239 H GLU 32 HN GLU 32 -8.476 5.203 4.338 240 HA GLU 32 HA GLU 32 -6.772 5.970 6.369 241 HB2 GLU 32 HB2 GLU 32 -7.162 7.286 3.672 242 HB3 GLU 32 HB1 GLU 32 -5.794 7.626 4.733 243 HG2 GLU 32 HG2 GLU 32 -5.034 5.350 4.622 244 HG3 GLU 32 HG1 GLU 32 -6.515 4.834 3.814 245 H GLY 33 HN GLY 33 -9.600 7.671 5.289 246 HA2 GLY 33 HA2 GLY 33 -9.036 10.253 6.363 247 HA3 GLY 33 HA1 GLY 33 -10.653 9.600 6.114 248 H SER 34 HN SER 34 -11.587 8.314 7.823 249 HA SER 34 HA SER 34 -11.253 9.350 10.418 250 HB2 SER 34 HB2 SER 34 -12.342 6.855 10.877 251 HB3 SER 34 HB1 SER 34 -13.258 8.253 10.345 252 HG SER 34 HG SER 34 -13.652 6.607 8.916 253 H ARG 35 HN ARG 35 -10.991 7.244 12.174 254 HA ARG 35 HA ARG 35 -8.070 6.761 12.042 255 HB2 ARG 35 HB2 ARG 35 -8.558 5.774 14.394 256 HB3 ARG 35 HB1 ARG 35 -8.737 7.513 14.178 257 HG2 ARG 35 HG2 ARG 35 -11.124 7.315 13.973 258 HG3 ARG 35 HG1 ARG 35 -11.048 5.567 13.924 259 HD2 ARG 35 HD2 ARG 35 -11.700 6.582 16.171 260 HD3 ARG 35 HD1 ARG 35 -10.363 5.432 16.207 261 HE ARG 35 HE ARG 35 -9.108 7.879 15.895 262 HH11 ARG 35 HH11 ARG 35 -8.451 9.142 17.650 263 HH12 ARG 35 HH12 ARG 35 -9.259 8.972 19.173 264 HH21 ARG 35 HH21 ARG 35 -11.446 6.531 18.040 265 HH22 ARG 35 HH22 ARG 35 -10.955 7.494 19.394 266 H ARG 36 HN ARG 36 -9.685 4.435 13.865 267 HA ARG 36 HA ARG 36 -9.694 2.090 13.668 268 HB2 ARG 36 HB2 ARG 36 -10.851 2.920 10.995 269 HB3 ARG 36 HB1 ARG 36 -10.951 1.296 11.674 270 HG2 ARG 36 HG2 ARG 36 -11.962 2.545 13.757 271 HG3 ARG 36 HG1 ARG 36 -12.294 3.826 12.600 272 HD2 ARG 36 HD2 ARG 36 -13.214 1.613 11.232 273 HD3 ARG 36 HD1 ARG 36 -13.596 1.174 12.894 274 HE ARG 36 HE ARG 36 -15.096 2.965 11.333 275 HH11 ARG 36 HH11 ARG 36 -16.337 4.642 12.154 276 HH12 ARG 36 HH12 ARG 36 -16.039 5.225 13.758 277 HH21 ARG 36 HH21 ARG 36 -13.471 2.996 14.384 278 HH22 ARG 36 HH22 ARG 36 -14.417 4.298 15.012 279 H SER 37 HN SER 37 -9.258 2.579 10.246 280 HA SER 37 HA SER 37 -7.468 0.600 9.668 281 HB2 SER 37 HB2 SER 37 -8.132 1.836 7.804 282 HB3 SER 37 HB1 SER 37 -7.743 3.377 8.561 283 HG SER 37 HG SER 37 -5.644 1.595 8.221 284 H ARG 38 HN ARG 38 -6.424 3.864 10.771 285 HA ARG 38 HA ARG 38 -3.644 3.281 10.759 286 HB2 ARG 38 HB2 ARG 38 -3.423 5.157 12.364 287 HB3 ARG 38 HB1 ARG 38 -4.484 5.571 11.018 288 HG2 ARG 38 HG2 ARG 38 -6.458 5.105 12.392 289 HG3 ARG 38 HG1 ARG 38 -5.433 4.605 13.736 290 HD2 ARG 38 HD2 ARG 38 -4.362 6.952 13.547 291 HD3 ARG 38 HD1 ARG 38 -5.778 7.367 12.577 292 HE ARG 38 HE ARG 38 -6.870 6.232 14.843 293 HH11 ARG 38 HH11 ARG 38 -7.401 7.437 16.680 294 HH12 ARG 38 HH12 ARG 38 -6.563 8.918 16.999 295 HH21 ARG 38 HH21 ARG 38 -4.555 8.700 14.182 296 HH22 ARG 38 HH22 ARG 38 -4.953 9.633 15.585 297 H GLY 39 HN GLY 39 -6.148 2.357 12.970 298 HA2 GLY 39 HA2 GLY 39 -4.389 1.708 15.181 299 HA3 GLY 39 HA1 GLY 39 -6.066 1.192 15.016 300 H ILE 40 HN ILE 40 -5.713 -0.100 12.426 301 HA ILE 40 HA ILE 40 -4.305 -2.544 13.375 302 HB ILE 40 HB ILE 40 -6.817 -2.319 12.538 303 HG12 ILE 40 HG12 ILE 40 -6.344 -4.462 13.249 304 HG13 ILE 40 HG11 ILE 40 -6.551 -4.773 11.544 305 HG21 ILE 40 HG21 ILE 40 -5.395 -2.941 9.944 306 HG22 ILE 40 HG22 ILE 40 -6.188 -1.416 10.329 307 HG23 ILE 40 HG23 ILE 40 -7.133 -2.894 10.212 308 HD11 ILE 40 HD11 ILE 40 -4.583 -5.935 12.030 309 HD12 ILE 40 HD12 ILE 40 -3.992 -4.719 13.145 310 HD13 ILE 40 HD13 ILE 40 -3.953 -4.423 11.411 311 H VAL 41 HN VAL 41 -4.607 -0.631 10.322 312 HA VAL 41 HA VAL 41 -2.487 -2.092 9.034 313 HB VAL 41 HB VAL 41 -3.224 0.736 8.275 314 HG11 VAL 41 HG11 VAL 41 -2.807 -0.106 6.020 315 HG12 VAL 41 HG12 VAL 41 -2.599 -1.744 6.639 316 HG13 VAL 41 HG13 VAL 41 -1.425 -0.493 7.046 317 HG21 VAL 41 HG21 VAL 41 -5.383 -0.179 8.562 318 HG22 VAL 41 HG22 VAL 41 -4.879 -1.776 8.011 319 HG23 VAL 41 HG23 VAL 41 -5.042 -0.455 6.857 320 H GLU 42 HN GLU 42 -2.382 1.360 10.051 321 HA GLU 42 HA GLU 42 0.395 1.653 9.709 322 HB2 GLU 42 HB2 GLU 42 -1.507 3.039 11.598 323 HB3 GLU 42 HB1 GLU 42 0.181 3.500 11.461 324 HG2 GLU 42 HG2 GLU 42 -1.542 4.781 10.011 325 HG3 GLU 42 HG1 GLU 42 -0.064 4.224 9.234 326 H GLN 43 HN GLN 43 -1.271 0.929 12.811 327 HA GLN 43 HA GLN 43 0.968 0.721 14.440 328 HB2 GLN 43 HB2 GLN 43 -1.732 0.053 14.648 329 HB3 GLN 43 HB1 GLN 43 -0.936 -1.488 14.925 330 HG2 GLN 43 HG2 GLN 43 -0.155 1.051 16.399 331 HG3 GLN 43 HG1 GLN 43 -1.375 -0.067 16.998 332 HE21 GLN 43 HE21 GLN 43 1.781 -0.751 15.386 333 HE22 GLN 43 HE22 GLN 43 2.384 -1.701 16.653 334 H CYS 44 HN CYS 44 -0.353 -1.933 12.407 335 HA CYS 44 HA CYS 44 1.935 -3.629 13.054 336 HB2 CYS 44 HB2 CYS 44 -0.394 -3.923 11.130 337 HB3 CYS 44 HB1 CYS 44 0.845 -5.150 11.354 338 H CYS 45 HN CYS 45 0.754 -2.123 10.031 339 HA CYS 45 HA CYS 45 3.058 -2.746 8.469 340 HB2 CYS 45 HB2 CYS 45 0.921 -1.947 7.504 341 HB3 CYS 45 HB1 CYS 45 1.187 -0.372 8.242 342 H ARG 46 HN ARG 46 2.246 0.293 10.180 343 HA ARG 46 HA ARG 46 4.779 1.511 9.598 344 HB2 ARG 46 HB2 ARG 46 2.462 2.520 10.414 345 HB3 ARG 46 HB1 ARG 46 3.171 2.309 12.012 346 HG2 ARG 46 HG2 ARG 46 4.485 3.805 9.722 347 HG3 ARG 46 HG1 ARG 46 3.603 4.568 11.035 348 HD2 ARG 46 HD2 ARG 46 5.321 3.067 12.497 349 HD3 ARG 46 HD1 ARG 46 6.312 3.312 11.062 350 HE ARG 46 HE ARG 46 5.906 5.226 13.097 351 HH11 ARG 46 HH11 ARG 46 5.996 7.447 12.798 352 HH12 ARG 46 HH12 ARG 46 5.905 8.100 11.196 353 HH21 ARG 46 HH21 ARG 46 5.646 5.015 9.657 354 HH22 ARG 46 HH22 ARG 46 5.698 6.727 9.426 355 H SER 47 HN SER 47 3.633 -0.493 12.296 356 HA SER 47 HA SER 47 6.464 -0.606 13.283 357 HB2 SER 47 HB2 SER 47 3.966 -0.068 14.902 358 HB3 SER 47 HB1 SER 47 5.444 -0.686 15.633 359 HG SER 47 HG SER 47 6.148 1.310 14.080 360 H ILE 48 HN ILE 48 7.037 -2.634 14.169 361 HA ILE 48 HA ILE 48 5.534 -4.881 13.164 362 HB ILE 48 HB ILE 48 7.672 -4.978 15.306 363 HG12 ILE 48 HG12 ILE 48 8.041 -4.927 12.290 364 HG13 ILE 48 HG11 ILE 48 8.409 -3.578 13.364 365 HG21 ILE 48 HG21 ILE 48 8.128 -7.179 14.245 366 HG22 ILE 48 HG22 ILE 48 6.794 -6.899 13.128 367 HG23 ILE 48 HG23 ILE 48 6.477 -7.076 14.852 368 HD11 ILE 48 HD11 ILE 48 10.002 -5.044 14.603 369 HD12 ILE 48 HD12 ILE 48 10.458 -4.820 12.914 370 HD13 ILE 48 HD13 ILE 48 9.692 -6.323 13.428 371 H CYS 49 HN CYS 49 3.482 -5.020 14.048 372 HA CYS 49 HA CYS 49 3.092 -4.766 16.955 373 HB2 CYS 49 HB2 CYS 49 0.731 -5.056 16.459 374 HB3 CYS 49 HB1 CYS 49 1.409 -3.921 15.298 375 H SER 50 HN SER 50 2.500 -6.494 18.325 376 HA SER 50 HA SER 50 3.542 -9.100 17.535 377 HB2 SER 50 HB2 SER 50 1.990 -8.401 20.037 378 HB3 SER 50 HB1 SER 50 3.074 -9.768 19.805 379 HG SER 50 HG SER 50 4.550 -7.785 19.198 380 H LEU 51 HN LEU 51 2.210 -11.105 17.785 381 HA LEU 51 HA LEU 51 -0.107 -11.069 16.160 382 HB2 LEU 51 HB2 LEU 51 0.436 -13.108 18.334 383 HB3 LEU 51 HB1 LEU 51 -0.456 -13.350 16.832 384 HG LEU 51 HG LEU 51 2.501 -12.704 17.031 385 HD11 LEU 51 HD11 LEU 51 1.950 -14.988 17.778 386 HD12 LEU 51 HD12 LEU 51 2.803 -15.019 16.234 387 HD13 LEU 51 HD13 LEU 51 1.057 -15.263 16.281 388 HD21 LEU 51 HD21 LEU 51 1.757 -11.807 14.969 389 HD22 LEU 51 HD22 LEU 51 0.596 -13.111 14.719 390 HD23 LEU 51 HD23 LEU 51 2.323 -13.419 14.537 391 H TYR 52 HN TYR 52 0.283 -10.642 19.626 392 HA TYR 52 HA TYR 52 -2.293 -11.036 20.597 393 HB2 TYR 52 HB2 TYR 52 -0.165 -10.150 21.803 394 HB3 TYR 52 HB1 TYR 52 -0.739 -8.553 21.341 395 HD1 TYR 52 HD1 TYR 52 -3.116 -7.897 21.985 396 HD2 TYR 52 HD2 TYR 52 -1.087 -11.274 23.674 397 HE1 TYR 52 HE1 TYR 52 -4.713 -7.898 23.887 398 HE2 TYR 52 HE2 TYR 52 -2.677 -11.282 25.579 399 HH TYR 52 HH TYR 52 -4.489 -10.359 26.461 400 H GLN 53 HN GLN 53 -1.072 -7.973 19.191 401 HA GLN 53 HA GLN 53 -3.607 -6.649 19.192 402 HB2 GLN 53 HB2 GLN 53 -1.344 -6.210 17.224 403 HB3 GLN 53 HB1 GLN 53 -2.586 -5.050 17.699 404 HG2 GLN 53 HG2 GLN 53 -1.734 -5.110 20.027 405 HG3 GLN 53 HG1 GLN 53 -0.464 -6.227 19.520 406 HE21 GLN 53 HE21 GLN 53 -1.435 -3.743 17.255 407 HE22 GLN 53 HE22 GLN 53 -0.061 -2.767 17.437 408 H LEU 54 HN LEU 54 -1.911 -8.394 16.555 409 HA LEU 54 HA LEU 54 -3.932 -8.122 14.614 410 HB2 LEU 54 HB2 LEU 54 -2.087 -10.444 15.075 411 HB3 LEU 54 HB1 LEU 54 -3.015 -10.179 13.604 412 HG LEU 54 HG LEU 54 -0.994 -8.247 14.752 413 HD11 LEU 54 HD11 LEU 54 0.506 -8.992 13.029 414 HD12 LEU 54 HD12 LEU 54 -0.754 -9.956 12.258 415 HD13 LEU 54 HD13 LEU 54 -0.100 -10.442 13.823 416 HD21 LEU 54 HD21 LEU 54 -2.861 -8.177 12.396 417 HD22 LEU 54 HD22 LEU 54 -1.282 -7.411 12.241 418 HD23 LEU 54 HD23 LEU 54 -2.393 -6.878 13.494 419 H GLU 55 HN GLU 55 -3.606 -10.288 17.299 420 HA GLU 55 HA GLU 55 -5.871 -11.952 16.613 421 HB2 GLU 55 HB2 GLU 55 -3.840 -12.437 18.207 422 HB3 GLU 55 HB1 GLU 55 -4.839 -11.634 19.411 423 HG2 GLU 55 HG2 GLU 55 -5.914 -13.920 17.744 424 HG3 GLU 55 HG1 GLU 55 -5.040 -14.194 19.245 425 H ASN 56 HN ASN 56 -5.564 -8.817 17.748 426 HA ASN 56 HA ASN 56 -7.889 -8.786 19.515 427 HB2 ASN 56 HB2 ASN 56 -5.854 -7.209 19.553 428 HB3 ASN 56 HB1 ASN 56 -6.622 -6.382 18.199 429 HD21 ASN 56 HD21 ASN 56 -6.203 -5.251 20.887 430 HD22 ASN 56 HD22 ASN 56 -7.742 -4.908 21.514 431 H TYR 57 HN TYR 57 -7.396 -8.442 16.089 432 HA TYR 57 HA TYR 57 -10.073 -7.195 15.732 433 HB2 TYR 57 HB2 TYR 57 -8.115 -7.882 13.548 434 HB3 TYR 57 HB1 TYR 57 -9.344 -6.623 13.564 435 HD1 TYR 57 HD1 TYR 57 -9.056 -4.621 15.116 436 HD2 TYR 57 HD2 TYR 57 -5.985 -7.511 14.458 437 HE1 TYR 57 HE1 TYR 57 -7.393 -3.042 16.034 438 HE2 TYR 57 HE2 TYR 57 -4.295 -5.944 15.389 439 HH TYR 57 HH TYR 57 -4.160 -3.322 15.607 440 H CYS 58 HN CYS 58 -8.734 -10.293 15.850 441 HA CYS 58 HA CYS 58 -10.082 -11.617 13.734 442 HB2 CYS 58 HB2 CYS 58 -9.415 -12.664 16.497 443 HB3 CYS 58 HB1 CYS 58 -9.844 -13.650 15.107 444 H GLY 59 HN GLY 59 -12.190 -11.109 13.405 445 HA2 GLY 59 HA2 GLY 59 -14.141 -10.434 15.305 446 HA3 GLY 59 HA1 GLY 59 -14.515 -11.191 13.757 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 4.511 -16.426 13.715 2 H2 PHE 1 HT2 PHE 1 3.378 -16.870 12.529 3 H3 PHE 1 HT3 PHE 1 3.477 -15.257 13.052 4 HA PHE 1 HA PHE 1 5.379 -16.771 11.378 5 HB2 PHE 1 HB2 PHE 1 5.086 -14.270 10.282 6 HB3 PHE 1 HB1 PHE 1 4.083 -15.651 9.848 7 HD1 PHE 1 HD1 PHE 1 1.946 -16.062 11.234 8 HD2 PHE 1 HD2 PHE 1 4.106 -12.355 11.243 9 HE1 PHE 1 HE1 PHE 1 -0.068 -14.895 12.085 10 HE2 PHE 1 HE2 PHE 1 2.091 -11.175 12.089 11 HZ PHE 1 HZ PHE 1 -0.002 -12.457 12.514 12 H VAL 2 HN VAL 2 7.360 -15.463 10.827 13 HA VAL 2 HA VAL 2 8.858 -14.838 13.134 14 HB VAL 2 HB VAL 2 10.330 -13.536 11.405 15 HG11 VAL 2 HG11 VAL 2 11.112 -15.671 10.433 16 HG12 VAL 2 HG12 VAL 2 9.643 -16.462 11.004 17 HG13 VAL 2 HG13 VAL 2 10.809 -15.825 12.163 18 HG21 VAL 2 HG21 VAL 2 9.780 -13.858 9.102 19 HG22 VAL 2 HG22 VAL 2 8.303 -13.271 9.868 20 HG23 VAL 2 HG23 VAL 2 8.484 -14.986 9.498 21 H ASN 3 HN ASN 3 10.050 -12.400 12.846 22 HA ASN 3 HA ASN 3 7.832 -10.520 13.548 23 HB2 ASN 3 HB2 ASN 3 10.791 -10.141 14.055 24 HB3 ASN 3 HB1 ASN 3 9.444 -9.309 14.831 25 HD21 ASN 3 HD21 ASN 3 7.755 -11.530 15.396 26 HD22 ASN 3 HD22 ASN 3 8.532 -12.534 16.523 27 H GLN 4 HN GLN 4 7.304 -9.036 12.023 28 HA GLN 4 HA GLN 4 9.316 -7.522 10.605 29 HB2 GLN 4 HB2 GLN 4 8.440 -8.284 8.293 30 HB3 GLN 4 HB1 GLN 4 9.572 -9.347 9.126 31 HG2 GLN 4 HG2 GLN 4 7.654 -10.671 9.998 32 HG3 GLN 4 HG1 GLN 4 6.552 -9.634 9.089 33 HE21 GLN 4 HE21 GLN 4 9.111 -12.082 8.748 34 HE22 GLN 4 HE22 GLN 4 8.781 -12.444 7.123 35 H HIS 5 HN HIS 5 8.177 -6.050 8.926 36 HA HIS 5 HA HIS 5 5.758 -5.009 10.223 37 HB2 HIS 5 HB2 HIS 5 6.277 -3.535 7.823 38 HB3 HIS 5 HB1 HIS 5 6.633 -3.045 9.471 39 HD2 HIS 5 HD2 HIS 5 9.239 -4.740 10.224 40 HE1 HIS 5 HE1 HIS 5 10.827 -3.502 6.517 41 HE2 HIS 5 HE2 HIS 5 11.394 -4.469 8.796 42 H LEU 6 HN LEU 6 3.759 -5.567 9.648 43 HA LEU 6 HA LEU 6 3.281 -7.123 7.172 44 HB2 LEU 6 HB2 LEU 6 1.894 -6.627 9.759 45 HB3 LEU 6 HB1 LEU 6 0.841 -6.859 8.376 46 HG LEU 6 HG LEU 6 1.698 -9.048 7.961 47 HD11 LEU 6 HD11 LEU 6 3.571 -9.852 9.681 48 HD12 LEU 6 HD12 LEU 6 3.968 -8.135 9.691 49 HD13 LEU 6 HD13 LEU 6 4.005 -9.043 8.180 50 HD21 LEU 6 HD21 LEU 6 1.423 -8.584 10.934 51 HD22 LEU 6 HD22 LEU 6 1.375 -10.159 10.167 52 HD23 LEU 6 HD23 LEU 6 0.125 -8.975 9.815 53 H CYS 7 HN CYS 7 2.764 -5.975 5.330 54 HA CYS 7 HA CYS 7 1.028 -3.553 5.638 55 HB2 CYS 7 HB2 CYS 7 3.326 -3.851 3.692 56 HB3 CYS 7 HB1 CYS 7 2.303 -2.430 3.907 57 H GLY 8 HN GLY 8 -0.787 -3.722 4.533 58 HA2 GLY 8 HA2 GLY 8 -2.357 -4.361 2.940 59 HA3 GLY 8 HA1 GLY 8 -1.006 -4.584 1.830 60 H SER 9 HN SER 9 -1.467 -6.534 0.914 61 HA SER 9 HA SER 9 -2.829 -8.719 1.883 62 HB2 SER 9 HB2 SER 9 -0.258 -9.024 0.323 63 HB3 SER 9 HB1 SER 9 -1.670 -10.076 0.289 64 HG SER 9 HG SER 9 -2.798 -8.067 -0.432 65 H HIS 10 HN HIS 10 0.452 -7.776 2.770 66 HA HIS 10 HA HIS 10 1.192 -10.239 4.012 67 HB2 HIS 10 HB2 HIS 10 2.569 -8.023 3.489 68 HB3 HIS 10 HB1 HIS 10 2.121 -7.614 5.138 69 HD2 HIS 10 HD2 HIS 10 5.212 -8.794 3.916 70 HE1 HIS 10 HE1 HIS 10 4.424 -11.730 6.840 71 HE2 HIS 10 HE2 HIS 10 6.217 -10.704 5.363 72 H LEU 11 HN LEU 11 -0.698 -7.482 5.098 73 HA LEU 11 HA LEU 11 -0.820 -8.316 7.852 74 HB2 LEU 11 HB2 LEU 11 -1.231 -5.964 7.105 75 HB3 LEU 11 HB1 LEU 11 -2.682 -6.506 6.280 76 HG LEU 11 HG LEU 11 -3.808 -6.929 8.283 77 HD11 LEU 11 HD11 LEU 11 -1.103 -6.887 9.624 78 HD12 LEU 11 HD12 LEU 11 -2.299 -8.183 9.627 79 HD13 LEU 11 HD13 LEU 11 -2.586 -6.710 10.549 80 HD21 LEU 11 HD21 LEU 11 -2.320 -4.610 9.397 81 HD22 LEU 11 HD22 LEU 11 -4.041 -4.812 9.080 82 HD23 LEU 11 HD23 LEU 11 -2.949 -4.411 7.761 83 H VAL 12 HN VAL 12 -3.140 -8.511 5.161 84 HA VAL 12 HA VAL 12 -5.109 -10.033 6.533 85 HB VAL 12 HB VAL 12 -4.294 -10.002 3.610 86 HG11 VAL 12 HG11 VAL 12 -5.976 -11.947 4.802 87 HG12 VAL 12 HG12 VAL 12 -5.889 -11.555 3.094 88 HG13 VAL 12 HG13 VAL 12 -7.090 -10.772 4.112 89 HG21 VAL 12 HG21 VAL 12 -6.165 -8.462 3.364 90 HG22 VAL 12 HG22 VAL 12 -5.076 -7.869 4.619 91 HG23 VAL 12 HG23 VAL 12 -6.587 -8.662 5.064 92 H GLU 13 HN GLU 13 -2.646 -11.216 4.244 93 HA GLU 13 HA GLU 13 -2.912 -13.939 4.570 94 HB2 GLU 13 HB2 GLU 13 -0.334 -12.357 4.388 95 HB3 GLU 13 HB1 GLU 13 -0.443 -14.105 4.163 96 HG2 GLU 13 HG2 GLU 13 -1.761 -13.893 2.211 97 HG3 GLU 13 HG1 GLU 13 -2.173 -12.217 2.570 98 H ALA 14 HN ALA 14 -1.580 -11.674 6.915 99 HA ALA 14 HA ALA 14 -0.608 -13.863 8.642 100 HB1 ALA 14 HB1 ALA 14 -0.367 -11.736 10.223 101 HB2 ALA 14 HB2 ALA 14 -0.609 -10.864 8.711 102 HB3 ALA 14 HB3 ALA 14 0.745 -11.979 8.875 103 H LEU 15 HN LEU 15 -2.977 -11.195 9.115 104 HA LEU 15 HA LEU 15 -4.197 -12.091 11.441 105 HB2 LEU 15 HB2 LEU 15 -5.382 -10.772 9.002 106 HB3 LEU 15 HB1 LEU 15 -6.368 -11.124 10.415 107 HG LEU 15 HG LEU 15 -3.769 -9.659 10.812 108 HD11 LEU 15 HD11 LEU 15 -4.699 -7.544 10.305 109 HD12 LEU 15 HD12 LEU 15 -6.330 -8.179 10.197 110 HD13 LEU 15 HD13 LEU 15 -5.163 -8.546 8.936 111 HD21 LEU 15 HD21 LEU 15 -6.494 -9.483 12.148 112 HD22 LEU 15 HD22 LEU 15 -5.021 -8.683 12.686 113 HD23 LEU 15 HD23 LEU 15 -5.140 -10.437 12.749 114 H TYR 16 HN TYR 16 -4.719 -13.271 8.152 115 HA TYR 16 HA TYR 16 -6.987 -14.867 8.545 116 HB2 TYR 16 HB2 TYR 16 -6.297 -14.819 6.327 117 HB3 TYR 16 HB1 TYR 16 -4.599 -14.959 6.750 118 HD1 TYR 16 HD1 TYR 16 -3.694 -16.885 5.772 119 HD2 TYR 16 HD2 TYR 16 -7.605 -17.069 7.538 120 HE1 TYR 16 HE1 TYR 16 -3.772 -19.319 5.338 121 HE2 TYR 16 HE2 TYR 16 -7.689 -19.508 7.096 122 HH TYR 16 HH TYR 16 -5.257 -21.371 6.612 123 H LEU 17 HN LEU 17 -3.582 -15.624 9.280 124 HA LEU 17 HA LEU 17 -4.197 -18.285 10.288 125 HB2 LEU 17 HB2 LEU 17 -1.765 -16.488 10.547 126 HB3 LEU 17 HB1 LEU 17 -1.851 -18.099 11.249 127 HG LEU 17 HG LEU 17 -2.517 -18.844 8.804 128 HD11 LEU 17 HD11 LEU 17 -1.068 -16.223 8.336 129 HD12 LEU 17 HD12 LEU 17 -2.730 -16.582 7.874 130 HD13 LEU 17 HD13 LEU 17 -1.399 -17.426 7.092 131 HD21 LEU 17 HD21 LEU 17 0.288 -17.982 9.577 132 HD22 LEU 17 HD22 LEU 17 -0.092 -19.075 8.247 133 HD23 LEU 17 HD23 LEU 17 -0.453 -19.548 9.908 134 H VAL 18 HN VAL 18 -3.282 -15.201 11.790 135 HA VAL 18 HA VAL 18 -3.450 -15.905 14.494 136 HB VAL 18 HB VAL 18 -4.514 -13.322 13.331 137 HG11 VAL 18 HG11 VAL 18 -3.037 -13.832 15.909 138 HG12 VAL 18 HG12 VAL 18 -4.797 -13.787 15.785 139 HG13 VAL 18 HG13 VAL 18 -3.848 -12.347 15.411 140 HG21 VAL 18 HG21 VAL 18 -2.148 -12.510 13.550 141 HG22 VAL 18 HG22 VAL 18 -2.337 -13.754 12.316 142 HG23 VAL 18 HG23 VAL 18 -1.653 -14.169 13.887 143 H CYS 19 HN CYS 19 -6.098 -14.574 12.501 144 HA CYS 19 HA CYS 19 -8.115 -15.157 14.516 145 HB2 CYS 19 HB2 CYS 19 -8.573 -14.506 11.599 146 HB3 CYS 19 HB1 CYS 19 -9.636 -14.170 12.967 147 H GLY 20 HN GLY 20 -6.741 -16.877 11.818 148 HA2 GLY 20 HA2 GLY 20 -7.237 -19.000 10.946 149 HA3 GLY 20 HA1 GLY 20 -7.990 -19.336 12.507 150 H GLU 21 HN GLU 21 -10.129 -19.813 12.359 151 HA GLU 21 HA GLU 21 -11.612 -19.109 9.915 152 HB2 GLU 21 HB2 GLU 21 -12.253 -20.757 12.365 153 HB3 GLU 21 HB1 GLU 21 -13.480 -20.377 11.156 154 HG2 GLU 21 HG2 GLU 21 -12.053 -21.384 9.402 155 HG3 GLU 21 HG1 GLU 21 -10.849 -21.791 10.625 156 H ARG 22 HN ARG 22 -11.363 -17.949 13.207 157 HA ARG 22 HA ARG 22 -13.865 -16.682 13.506 158 HB2 ARG 22 HB2 ARG 22 -11.105 -15.849 14.426 159 HB3 ARG 22 HB1 ARG 22 -12.563 -14.966 14.877 160 HG2 ARG 22 HG2 ARG 22 -13.518 -16.992 15.868 161 HG3 ARG 22 HG1 ARG 22 -12.100 -17.919 15.382 162 HD2 ARG 22 HD2 ARG 22 -10.961 -15.813 16.789 163 HD3 ARG 22 HD1 ARG 22 -12.444 -16.100 17.692 164 HE ARG 22 HE ARG 22 -10.136 -17.669 17.917 165 HH11 ARG 22 HH11 ARG 22 -10.114 -19.839 18.494 166 HH12 ARG 22 HH12 ARG 22 -11.554 -20.786 18.319 167 HH21 ARG 22 HH21 ARG 22 -13.453 -18.173 17.087 168 HH22 ARG 22 HH22 ARG 22 -13.435 -19.846 17.519 169 H GLY 23 HN GLY 23 -11.013 -15.660 11.682 170 HA2 GLY 23 HA2 GLY 23 -10.906 -14.136 9.886 171 HA3 GLY 23 HA1 GLY 23 -12.655 -13.950 10.001 172 H PHE 24 HN PHE 24 -11.110 -11.737 9.539 173 HA PHE 24 HA PHE 24 -11.480 -10.158 12.052 174 HB2 PHE 24 HB2 PHE 24 -9.377 -8.909 11.473 175 HB3 PHE 24 HB1 PHE 24 -9.098 -10.580 11.934 176 HD1 PHE 24 HD1 PHE 24 -9.014 -12.358 10.037 177 HD2 PHE 24 HD2 PHE 24 -8.596 -8.126 9.405 178 HE1 PHE 24 HE1 PHE 24 -7.960 -12.798 7.835 179 HE2 PHE 24 HE2 PHE 24 -7.538 -8.571 7.197 180 HZ PHE 24 HZ PHE 24 -7.236 -10.902 6.423 181 H PHE 25 HN PHE 25 -11.377 -7.707 11.372 182 HA PHE 25 HA PHE 25 -12.815 -7.414 8.760 183 HB2 PHE 25 HB2 PHE 25 -14.027 -5.644 9.742 184 HB3 PHE 25 HB1 PHE 25 -13.935 -6.859 11.019 185 HD1 PHE 25 HD1 PHE 25 -13.160 -3.497 10.093 186 HD2 PHE 25 HD2 PHE 25 -12.029 -6.658 12.743 187 HE1 PHE 25 HE1 PHE 25 -12.009 -1.847 11.546 188 HE2 PHE 25 HE2 PHE 25 -10.874 -5.023 14.198 189 HZ PHE 25 HZ PHE 25 -10.864 -2.615 13.608 190 H TYR 26 HN TYR 26 -11.629 -6.420 7.195 191 HA TYR 26 HA TYR 26 -9.221 -4.873 7.988 192 HB2 TYR 26 HB2 TYR 26 -9.290 -6.679 6.097 193 HB3 TYR 26 HB1 TYR 26 -10.010 -5.397 5.122 194 HD1 TYR 26 HD1 TYR 26 -7.048 -6.371 7.098 195 HD2 TYR 26 HD2 TYR 26 -8.683 -3.487 4.383 196 HE1 TYR 26 HE1 TYR 26 -4.791 -5.427 6.768 197 HE2 TYR 26 HE2 TYR 26 -6.421 -2.530 4.042 198 HH TYR 26 HH TYR 26 -3.559 -4.090 5.282 199 H THR 27 HN THR 27 -8.817 -2.902 6.507 200 HA THR 27 HA THR 27 -11.299 -1.220 6.447 201 HB THR 27 HB THR 27 -9.627 -0.470 8.060 202 HG1 THR 27 HG1 THR 27 -10.486 0.927 5.949 203 HG21 THR 27 HG21 THR 27 -7.374 -0.447 7.652 204 HG22 THR 27 HG22 THR 27 -7.588 0.259 6.055 205 HG23 THR 27 HG23 THR 27 -7.746 -1.481 6.274 206 HA PRO 28 HA PRO 28 -9.821 -1.762 2.059 207 HB2 PRO 28 HB2 PRO 28 -12.513 -1.261 1.152 208 HB3 PRO 28 HB1 PRO 28 -11.612 -2.780 1.076 209 HG2 PRO 28 HG2 PRO 28 -13.803 -2.103 2.859 210 HG3 PRO 28 HG1 PRO 28 -12.943 -3.644 2.725 211 HD2 PRO 28 HD2 PRO 28 -12.749 -1.730 4.858 212 HD3 PRO 28 HD1 PRO 28 -11.813 -3.220 4.662 213 H ARG 29 HN ARG 29 -8.743 0.182 2.291 214 HA ARG 29 HA ARG 29 -8.488 2.565 2.458 215 HB2 ARG 29 HB2 ARG 29 -8.906 3.379 0.063 216 HB3 ARG 29 HB1 ARG 29 -7.797 2.034 0.285 217 HG2 ARG 29 HG2 ARG 29 -10.697 1.389 -0.154 218 HG3 ARG 29 HG1 ARG 29 -9.780 1.944 -1.517 219 HD2 ARG 29 HD2 ARG 29 -9.285 -0.536 0.140 220 HD3 ARG 29 HD1 ARG 29 -9.630 -0.439 -1.579 221 HE ARG 29 HE ARG 29 -7.040 -0.384 -0.377 222 HH11 ARG 29 HH11 ARG 29 -5.230 0.507 -1.347 223 HH12 ARG 29 HH12 ARG 29 -5.415 1.535 -2.728 224 HH21 ARG 29 HH21 ARG 29 -8.864 1.267 -2.804 225 HH22 ARG 29 HH22 ARG 29 -7.468 1.970 -3.544 226 H THR 30 HN THR 30 -11.038 1.988 3.615 227 HA THR 30 HA THR 30 -12.976 3.832 2.421 228 HB THR 30 HB THR 30 -14.262 2.270 3.498 229 HG1 THR 30 HG1 THR 30 -14.517 4.256 4.700 230 HG21 THR 30 HG21 THR 30 -13.436 1.044 5.541 231 HG22 THR 30 HG22 THR 30 -11.918 1.926 5.375 232 HG23 THR 30 HG23 THR 30 -12.441 0.825 4.101 233 H GLU 31 HN GLU 31 -12.104 5.908 2.520 234 HA GLU 31 HA GLU 31 -10.844 6.926 4.933 235 HB2 GLU 31 HB2 GLU 31 -11.077 9.155 3.735 236 HB3 GLU 31 HB1 GLU 31 -10.164 7.929 2.859 237 HG2 GLU 31 HG2 GLU 31 -13.136 8.187 2.406 238 HG3 GLU 31 HG1 GLU 31 -12.029 9.297 1.602 239 H GLU 32 HN GLU 32 -13.880 5.987 4.584 240 HA GLU 32 HA GLU 32 -15.397 8.316 5.387 241 HB2 GLU 32 HB2 GLU 32 -16.106 5.415 5.888 242 HB3 GLU 32 HB1 GLU 32 -17.214 6.782 5.766 243 HG2 GLU 32 HG2 GLU 32 -16.470 7.115 3.401 244 HG3 GLU 32 HG1 GLU 32 -15.493 5.652 3.541 245 H GLY 33 HN GLY 33 -13.516 5.914 7.070 246 HA2 GLY 33 HA2 GLY 33 -14.554 6.769 9.714 247 HA3 GLY 33 HA1 GLY 33 -13.404 5.463 9.427 248 H SER 34 HN SER 34 -12.950 7.433 11.392 249 HA SER 34 HA SER 34 -11.109 9.435 10.295 250 HB2 SER 34 HB2 SER 34 -12.411 10.024 12.265 251 HB3 SER 34 HB1 SER 34 -11.779 8.632 13.139 252 HG SER 34 HG SER 34 -10.772 10.967 13.200 253 H ARG 35 HN ARG 35 -10.365 7.437 13.086 254 HA ARG 35 HA ARG 35 -7.665 6.946 11.995 255 HB2 ARG 35 HB2 ARG 35 -7.488 5.730 14.338 256 HB3 ARG 35 HB1 ARG 35 -7.504 7.490 14.263 257 HG2 ARG 35 HG2 ARG 35 -9.853 7.555 14.779 258 HG3 ARG 35 HG1 ARG 35 -9.996 5.815 14.688 259 HD2 ARG 35 HD2 ARG 35 -8.233 5.731 16.545 260 HD3 ARG 35 HD1 ARG 35 -8.504 7.456 16.752 261 HE ARG 35 HE ARG 35 -10.143 5.334 17.775 262 HH11 ARG 35 HH11 ARG 35 -12.293 5.603 18.347 263 HH12 ARG 35 HH12 ARG 35 -13.142 7.024 17.838 264 HH21 ARG 35 HH21 ARG 35 -10.426 8.390 16.188 265 HH22 ARG 35 HH22 ARG 35 -12.090 8.592 16.614 266 H ARG 36 HN ARG 36 -9.003 4.552 14.062 267 HA ARG 36 HA ARG 36 -9.309 2.253 13.758 268 HB2 ARG 36 HB2 ARG 36 -10.565 3.351 11.241 269 HB3 ARG 36 HB1 ARG 36 -10.754 1.689 11.792 270 HG2 ARG 36 HG2 ARG 36 -11.415 4.082 13.522 271 HG3 ARG 36 HG1 ARG 36 -12.603 3.316 12.479 272 HD2 ARG 36 HD2 ARG 36 -11.526 1.145 13.869 273 HD3 ARG 36 HD1 ARG 36 -11.556 2.412 15.087 274 HE ARG 36 HE ARG 36 -13.799 0.936 14.292 275 HH11 ARG 36 HH11 ARG 36 -15.916 1.677 14.397 276 HH12 ARG 36 HH12 ARG 36 -16.225 3.379 14.472 277 HH21 ARG 36 HH21 ARG 36 -12.883 4.266 14.388 278 HH22 ARG 36 HH22 ARG 36 -14.512 4.840 14.461 279 H SER 37 HN SER 37 -8.937 2.943 10.318 280 HA SER 37 HA SER 37 -7.360 0.779 9.650 281 HB2 SER 37 HB2 SER 37 -7.923 1.966 7.757 282 HB3 SER 37 HB1 SER 37 -7.647 3.526 8.528 283 HG SER 37 HG SER 37 -6.019 2.137 6.952 284 H ARG 38 HN ARG 38 -5.962 3.999 10.482 285 HA ARG 38 HA ARG 38 -3.266 3.096 10.463 286 HB2 ARG 38 HB2 ARG 38 -2.844 5.064 11.998 287 HB3 ARG 38 HB1 ARG 38 -3.695 5.463 10.506 288 HG2 ARG 38 HG2 ARG 38 -5.793 5.607 11.618 289 HG3 ARG 38 HG1 ARG 38 -5.162 4.832 13.071 290 HD2 ARG 38 HD2 ARG 38 -5.342 7.252 13.428 291 HD3 ARG 38 HD1 ARG 38 -3.649 6.767 13.426 292 HE ARG 38 HE ARG 38 -4.141 7.465 10.790 293 HH11 ARG 38 HH11 ARG 38 -3.836 9.566 10.014 294 HH12 ARG 38 HH12 ARG 38 -3.918 10.902 11.114 295 HH21 ARG 38 HH21 ARG 38 -4.561 8.923 13.887 296 HH22 ARG 38 HH22 ARG 38 -4.329 10.538 13.306 297 H GLY 39 HN GLY 39 -5.770 2.235 12.540 298 HA2 GLY 39 HA2 GLY 39 -4.097 1.798 14.914 299 HA3 GLY 39 HA1 GLY 39 -5.781 1.302 14.725 300 H ILE 40 HN ILE 40 -5.448 -0.100 12.244 301 HA ILE 40 HA ILE 40 -4.088 -2.537 13.264 302 HB ILE 40 HB ILE 40 -6.590 -2.276 12.426 303 HG12 ILE 40 HG12 ILE 40 -6.206 -4.433 13.142 304 HG13 ILE 40 HG11 ILE 40 -6.373 -4.749 11.431 305 HG21 ILE 40 HG21 ILE 40 -5.965 -1.396 10.213 306 HG22 ILE 40 HG22 ILE 40 -6.935 -2.859 10.102 307 HG23 ILE 40 HG23 ILE 40 -5.200 -2.934 9.820 308 HD11 ILE 40 HD11 ILE 40 -3.771 -4.470 11.356 309 HD12 ILE 40 HD12 ILE 40 -4.448 -5.954 11.989 310 HD13 ILE 40 HD13 ILE 40 -3.853 -4.731 13.096 311 H VAL 41 HN VAL 41 -4.352 -0.675 10.178 312 HA VAL 41 HA VAL 41 -2.268 -2.193 8.894 313 HB VAL 41 HB VAL 41 -3.009 0.644 8.167 314 HG11 VAL 41 HG11 VAL 41 -1.131 -0.407 6.961 315 HG12 VAL 41 HG12 VAL 41 -2.516 -0.186 5.892 316 HG13 VAL 41 HG13 VAL 41 -2.157 -1.782 6.552 317 HG21 VAL 41 HG21 VAL 41 -4.719 -0.606 6.642 318 HG22 VAL 41 HG22 VAL 41 -5.143 -0.334 8.329 319 HG23 VAL 41 HG23 VAL 41 -4.568 -1.918 7.811 320 H GLU 42 HN GLU 42 -2.092 1.267 9.881 321 HA GLU 42 HA GLU 42 0.712 1.443 9.581 322 HB2 GLU 42 HB2 GLU 42 -1.115 2.964 11.454 323 HB3 GLU 42 HB1 GLU 42 0.564 3.397 11.146 324 HG2 GLU 42 HG2 GLU 42 -1.449 3.072 8.915 325 HG3 GLU 42 HG1 GLU 42 -1.196 4.613 9.735 326 H GLN 43 HN GLN 43 -1.118 0.834 12.606 327 HA GLN 43 HA GLN 43 0.981 0.582 14.398 328 HB2 GLN 43 HB2 GLN 43 -1.476 0.262 14.896 329 HB3 GLN 43 HB1 GLN 43 -1.323 -1.380 14.270 330 HG2 GLN 43 HG2 GLN 43 0.253 -1.978 15.976 331 HG3 GLN 43 HG1 GLN 43 0.433 -0.299 16.487 332 HE21 GLN 43 HE21 GLN 43 -2.330 -2.582 15.980 333 HE22 GLN 43 HE22 GLN 43 -3.114 -2.175 17.429 334 H CYS 44 HN CYS 44 -0.206 -2.024 12.240 335 HA CYS 44 HA CYS 44 2.018 -3.761 13.021 336 HB2 CYS 44 HB2 CYS 44 -0.227 -4.034 11.001 337 HB3 CYS 44 HB1 CYS 44 0.970 -5.286 11.312 338 H CYS 45 HN CYS 45 0.958 -2.265 9.956 339 HA CYS 45 HA CYS 45 3.280 -2.951 8.457 340 HB2 CYS 45 HB2 CYS 45 1.177 -2.114 7.442 341 HB3 CYS 45 HB1 CYS 45 1.476 -0.533 8.158 342 H ARG 46 HN ARG 46 2.504 0.117 10.140 343 HA ARG 46 HA ARG 46 5.069 1.279 9.591 344 HB2 ARG 46 HB2 ARG 46 2.802 2.378 10.359 345 HB3 ARG 46 HB1 ARG 46 3.399 2.063 11.983 346 HG2 ARG 46 HG2 ARG 46 5.257 3.445 10.054 347 HG3 ARG 46 HG1 ARG 46 3.924 4.370 10.727 348 HD2 ARG 46 HD2 ARG 46 4.665 3.966 12.978 349 HD3 ARG 46 HD1 ARG 46 5.864 2.794 12.435 350 HE ARG 46 HE ARG 46 6.575 5.111 11.103 351 HH11 ARG 46 HH11 ARG 46 8.011 6.624 11.967 352 HH12 ARG 46 HH12 ARG 46 8.204 6.733 13.685 353 HH21 ARG 46 HH21 ARG 46 5.924 4.208 14.366 354 HH22 ARG 46 HH22 ARG 46 7.020 5.365 15.044 355 H SER 47 HN SER 47 3.830 -0.665 12.295 356 HA SER 47 HA SER 47 6.654 -0.924 13.273 357 HB2 SER 47 HB2 SER 47 4.233 -0.540 15.061 358 HB3 SER 47 HB1 SER 47 5.904 -0.728 15.584 359 HG SER 47 HG SER 47 4.780 1.385 14.054 360 H ILE 48 HN ILE 48 7.116 -2.983 14.171 361 HA ILE 48 HA ILE 48 5.486 -5.142 13.174 362 HB ILE 48 HB ILE 48 7.653 -5.265 15.293 363 HG12 ILE 48 HG12 ILE 48 7.908 -5.598 12.289 364 HG13 ILE 48 HG11 ILE 48 8.349 -4.125 13.153 365 HG21 ILE 48 HG21 ILE 48 7.902 -7.586 14.453 366 HG22 ILE 48 HG22 ILE 48 6.541 -7.325 13.362 367 HG23 ILE 48 HG23 ILE 48 6.289 -7.301 15.107 368 HD11 ILE 48 HD11 ILE 48 9.528 -6.878 13.631 369 HD12 ILE 48 HD12 ILE 48 9.950 -5.419 14.527 370 HD13 ILE 48 HD13 ILE 48 10.331 -5.540 12.809 371 H CYS 49 HN CYS 49 3.426 -5.152 14.042 372 HA CYS 49 HA CYS 49 3.005 -4.837 16.929 373 HB2 CYS 49 HB2 CYS 49 0.645 -5.115 16.393 374 HB3 CYS 49 HB1 CYS 49 1.362 -4.006 15.235 375 H SER 50 HN SER 50 2.656 -6.512 18.376 376 HA SER 50 HA SER 50 3.564 -9.146 17.644 377 HB2 SER 50 HB2 SER 50 1.949 -8.490 20.109 378 HB3 SER 50 HB1 SER 50 3.173 -9.741 19.911 379 HG SER 50 HG SER 50 3.459 -7.164 20.630 380 H LEU 51 HN LEU 51 2.263 -11.128 17.787 381 HA LEU 51 HA LEU 51 -0.052 -11.106 16.178 382 HB2 LEU 51 HB2 LEU 51 0.500 -13.143 18.353 383 HB3 LEU 51 HB1 LEU 51 -0.392 -13.392 16.853 384 HG LEU 51 HG LEU 51 2.563 -12.731 17.051 385 HD11 LEU 51 HD11 LEU 51 1.210 -15.290 16.161 386 HD12 LEU 51 HD12 LEU 51 1.870 -15.043 17.777 387 HD13 LEU 51 HD13 LEU 51 2.939 -15.017 16.375 388 HD21 LEU 51 HD21 LEU 51 2.386 -13.435 14.553 389 HD22 LEU 51 HD22 LEU 51 1.820 -11.826 14.993 390 HD23 LEU 51 HD23 LEU 51 0.659 -13.128 14.737 391 H TYR 52 HN TYR 52 0.313 -10.680 19.643 392 HA TYR 52 HA TYR 52 -2.293 -11.083 20.562 393 HB2 TYR 52 HB2 TYR 52 -0.127 -10.229 21.796 394 HB3 TYR 52 HB1 TYR 52 -0.769 -8.630 21.442 395 HD1 TYR 52 HD1 TYR 52 -3.121 -8.071 22.196 396 HD2 TYR 52 HD2 TYR 52 -1.018 -11.549 23.565 397 HE1 TYR 52 HE1 TYR 52 -4.688 -8.260 24.114 398 HE2 TYR 52 HE2 TYR 52 -2.579 -11.743 25.482 399 HH TYR 52 HH TYR 52 -4.520 -11.006 26.352 400 H GLN 53 HN GLN 53 -0.977 -8.051 19.184 401 HA GLN 53 HA GLN 53 -3.472 -6.644 19.195 402 HB2 GLN 53 HB2 GLN 53 -1.154 -6.275 17.281 403 HB3 GLN 53 HB1 GLN 53 -2.382 -5.077 17.692 404 HG2 GLN 53 HG2 GLN 53 -1.622 -5.042 20.015 405 HG3 GLN 53 HG1 GLN 53 -0.445 -6.310 19.674 406 HE21 GLN 53 HE21 GLN 53 -1.244 -3.452 17.649 407 HE22 GLN 53 HE22 GLN 53 0.318 -2.790 17.699 408 H LEU 54 HN LEU 54 -1.820 -8.458 16.575 409 HA LEU 54 HA LEU 54 -3.840 -8.119 14.629 410 HB2 LEU 54 HB2 LEU 54 -2.046 -10.483 15.086 411 HB3 LEU 54 HB1 LEU 54 -2.982 -10.207 13.621 412 HG LEU 54 HG LEU 54 -0.909 -8.309 14.735 413 HD11 LEU 54 HD11 LEU 54 -0.713 -10.038 12.252 414 HD12 LEU 54 HD12 LEU 54 -0.073 -10.541 13.817 415 HD13 LEU 54 HD13 LEU 54 0.571 -9.108 13.023 416 HD21 LEU 54 HD21 LEU 54 -2.766 -8.240 12.368 417 HD22 LEU 54 HD22 LEU 54 -1.186 -7.476 12.235 418 HD23 LEU 54 HD23 LEU 54 -2.316 -6.941 13.470 419 H GLU 55 HN GLU 55 -3.555 -10.241 17.340 420 HA GLU 55 HA GLU 55 -5.851 -11.875 16.683 421 HB2 GLU 55 HB2 GLU 55 -3.835 -12.370 18.296 422 HB3 GLU 55 HB1 GLU 55 -4.824 -11.528 19.479 423 HG2 GLU 55 HG2 GLU 55 -5.936 -13.820 17.844 424 HG3 GLU 55 HG1 GLU 55 -5.067 -14.089 19.349 425 H ASN 56 HN ASN 56 -5.488 -8.723 17.749 426 HA ASN 56 HA ASN 56 -7.813 -8.615 19.516 427 HB2 ASN 56 HB2 ASN 56 -5.739 -7.077 19.507 428 HB3 ASN 56 HB1 ASN 56 -6.517 -6.250 18.160 429 HD21 ASN 56 HD21 ASN 56 -6.016 -5.278 20.980 430 HD22 ASN 56 HD22 ASN 56 -7.541 -4.833 21.571 431 H TYR 57 HN TYR 57 -7.310 -8.332 16.081 432 HA TYR 57 HA TYR 57 -9.970 -7.051 15.701 433 HB2 TYR 57 HB2 TYR 57 -8.020 -7.797 13.529 434 HB3 TYR 57 HB1 TYR 57 -9.225 -6.519 13.526 435 HD1 TYR 57 HD1 TYR 57 -8.886 -4.478 15.032 436 HD2 TYR 57 HD2 TYR 57 -5.884 -7.457 14.438 437 HE1 TYR 57 HE1 TYR 57 -7.185 -2.919 15.903 438 HE2 TYR 57 HE2 TYR 57 -4.158 -5.905 15.321 439 HH TYR 57 HH TYR 57 -5.032 -2.865 16.802 440 H CYS 58 HN CYS 58 -8.722 -10.158 15.919 441 HA CYS 58 HA CYS 58 -10.045 -11.502 13.790 442 HB2 CYS 58 HB2 CYS 58 -9.359 -12.498 16.561 443 HB3 CYS 58 HB1 CYS 58 -9.800 -13.514 15.195 444 H GLY 59 HN GLY 59 -12.163 -11.021 13.447 445 HA2 GLY 59 HA2 GLY 59 -14.485 -11.282 13.803 446 HA3 GLY 59 HA1 GLY 59 -14.118 -12.062 15.343 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 4.289 -16.417 14.159 2 H2 PHE 1 HT2 PHE 1 3.106 -16.424 12.939 3 H3 PHE 1 HT3 PHE 1 3.577 -14.960 13.661 4 HA PHE 1 HA PHE 1 5.277 -16.704 11.971 5 HB2 PHE 1 HB2 PHE 1 5.143 -14.169 10.806 6 HB3 PHE 1 HB1 PHE 1 4.231 -15.581 10.280 7 HD1 PHE 1 HD1 PHE 1 1.979 -16.053 11.487 8 HD2 PHE 1 HD2 PHE 1 4.002 -12.271 11.584 9 HE1 PHE 1 HE1 PHE 1 -0.145 -14.937 12.109 10 HE2 PHE 1 HE2 PHE 1 1.878 -11.142 12.203 11 HZ PHE 1 HZ PHE 1 -0.201 -12.487 12.467 12 H VAL 2 HN VAL 2 7.381 -15.638 11.491 13 HA VAL 2 HA VAL 2 8.794 -14.943 13.824 14 HB VAL 2 HB VAL 2 10.489 -13.932 12.154 15 HG11 VAL 2 HG11 VAL 2 9.494 -16.758 11.700 16 HG12 VAL 2 HG12 VAL 2 10.564 -16.259 13.010 17 HG13 VAL 2 HG13 VAL 2 11.109 -16.152 11.336 18 HG21 VAL 2 HG21 VAL 2 10.056 -14.343 9.808 19 HG22 VAL 2 HG22 VAL 2 8.698 -13.420 10.452 20 HG23 VAL 2 HG23 VAL 2 8.536 -15.155 10.183 21 H ASN 3 HN ASN 3 10.206 -12.650 13.441 22 HA ASN 3 HA ASN 3 8.174 -10.580 14.053 23 HB2 ASN 3 HB2 ASN 3 11.203 -10.549 14.236 24 HB3 ASN 3 HB1 ASN 3 10.146 -9.239 14.763 25 HD21 ASN 3 HD21 ASN 3 11.952 -11.423 16.204 26 HD22 ASN 3 HD22 ASN 3 10.939 -11.951 17.460 27 H GLN 4 HN GLN 4 7.488 -9.248 12.454 28 HA GLN 4 HA GLN 4 9.296 -7.920 10.653 29 HB2 GLN 4 HB2 GLN 4 8.424 -8.948 8.535 30 HB3 GLN 4 HB1 GLN 4 9.389 -10.060 9.505 31 HG2 GLN 4 HG2 GLN 4 7.237 -10.919 10.511 32 HG3 GLN 4 HG1 GLN 4 6.367 -9.938 9.331 33 HE21 GLN 4 HE21 GLN 4 9.360 -11.918 8.960 34 HE22 GLN 4 HE22 GLN 4 8.746 -12.873 7.698 35 H HIS 5 HN HIS 5 8.208 -6.241 9.514 36 HA HIS 5 HA HIS 5 5.688 -5.429 10.648 37 HB2 HIS 5 HB2 HIS 5 7.137 -4.338 8.218 38 HB3 HIS 5 HB1 HIS 5 5.854 -3.528 9.109 39 HD2 HIS 5 HD2 HIS 5 9.261 -5.163 10.437 40 HE1 HIS 5 HE1 HIS 5 8.834 -1.282 12.012 41 HE2 HIS 5 HE2 HIS 5 10.294 -3.355 11.985 42 H LEU 6 HN LEU 6 3.671 -5.309 9.613 43 HA LEU 6 HA LEU 6 3.306 -7.160 7.271 44 HB2 LEU 6 HB2 LEU 6 1.808 -6.640 9.792 45 HB3 LEU 6 HB1 LEU 6 0.828 -6.903 8.362 46 HG LEU 6 HG LEU 6 1.726 -9.090 8.026 47 HD11 LEU 6 HD11 LEU 6 3.889 -8.131 9.871 48 HD12 LEU 6 HD12 LEU 6 4.025 -9.031 8.362 49 HD13 LEU 6 HD13 LEU 6 3.522 -9.856 9.829 50 HD21 LEU 6 HD21 LEU 6 0.066 -8.996 9.811 51 HD22 LEU 6 HD22 LEU 6 1.315 -8.596 10.978 52 HD23 LEU 6 HD23 LEU 6 1.301 -10.177 10.218 53 H CYS 7 HN CYS 7 2.916 -6.012 5.415 54 HA CYS 7 HA CYS 7 1.138 -3.608 5.598 55 HB2 CYS 7 HB2 CYS 7 3.533 -3.915 3.772 56 HB3 CYS 7 HB1 CYS 7 2.493 -2.498 3.922 57 H GLY 8 HN GLY 8 -0.618 -3.828 4.397 58 HA2 GLY 8 HA2 GLY 8 -2.084 -4.538 2.733 59 HA3 GLY 8 HA1 GLY 8 -0.667 -4.758 1.706 60 H SER 9 HN SER 9 -1.034 -6.737 0.821 61 HA SER 9 HA SER 9 -2.400 -8.928 1.742 62 HB2 SER 9 HB2 SER 9 0.295 -9.234 0.413 63 HB3 SER 9 HB1 SER 9 -1.107 -10.290 0.273 64 HG SER 9 HG SER 9 -0.470 -8.197 -1.215 65 H HIS 10 HN HIS 10 0.865 -7.984 2.780 66 HA HIS 10 HA HIS 10 1.495 -10.370 4.192 67 HB2 HIS 10 HB2 HIS 10 2.978 -8.291 3.717 68 HB3 HIS 10 HB1 HIS 10 2.270 -7.636 5.187 69 HD2 HIS 10 HD2 HIS 10 5.362 -8.248 5.613 70 HE1 HIS 10 HE1 HIS 10 4.235 -11.984 7.224 71 HE2 HIS 10 HE2 HIS 10 6.120 -10.291 7.029 72 H LEU 11 HN LEU 11 -0.447 -7.556 5.080 73 HA LEU 11 HA LEU 11 -0.801 -8.369 7.817 74 HB2 LEU 11 HB2 LEU 11 -1.141 -6.016 7.020 75 HB3 LEU 11 HB1 LEU 11 -2.533 -6.564 6.104 76 HG LEU 11 HG LEU 11 -3.783 -6.992 8.040 77 HD11 LEU 11 HD11 LEU 11 -2.688 -6.690 10.375 78 HD12 LEU 11 HD12 LEU 11 -1.162 -6.897 9.533 79 HD13 LEU 11 HD13 LEU 11 -2.362 -8.191 9.512 80 HD21 LEU 11 HD21 LEU 11 -2.373 -4.619 9.161 81 HD22 LEU 11 HD22 LEU 11 -4.084 -4.868 8.820 82 HD23 LEU 11 HD23 LEU 11 -2.978 -4.479 7.510 83 H VAL 12 HN VAL 12 -2.832 -8.588 4.935 84 HA VAL 12 HA VAL 12 -4.942 -10.089 6.120 85 HB VAL 12 HB VAL 12 -3.838 -9.891 3.313 86 HG11 VAL 12 HG11 VAL 12 -5.803 -11.874 4.353 87 HG12 VAL 12 HG12 VAL 12 -4.838 -11.917 2.889 88 HG13 VAL 12 HG13 VAL 12 -6.335 -10.991 2.925 89 HG21 VAL 12 HG21 VAL 12 -5.881 -8.608 2.935 90 HG22 VAL 12 HG22 VAL 12 -4.997 -7.953 4.313 91 HG23 VAL 12 HG23 VAL 12 -6.424 -8.955 4.577 92 H GLU 13 HN GLU 13 -2.296 -11.267 4.058 93 HA GLU 13 HA GLU 13 -2.599 -13.993 4.369 94 HB2 GLU 13 HB2 GLU 13 -0.009 -12.419 4.363 95 HB3 GLU 13 HB1 GLU 13 -0.110 -14.166 4.132 96 HG2 GLU 13 HG2 GLU 13 -1.283 -13.951 2.091 97 HG3 GLU 13 HG1 GLU 13 -1.715 -12.273 2.419 98 H ALA 14 HN ALA 14 -1.413 -11.716 6.790 99 HA ALA 14 HA ALA 14 -0.565 -13.900 8.585 100 HB1 ALA 14 HB1 ALA 14 0.764 -12.001 8.878 101 HB2 ALA 14 HB2 ALA 14 -0.410 -11.789 10.178 102 HB3 ALA 14 HB3 ALA 14 -0.593 -10.897 8.668 103 H LEU 15 HN LEU 15 -2.979 -11.238 8.900 104 HA LEU 15 HA LEU 15 -4.316 -12.157 11.158 105 HB2 LEU 15 HB2 LEU 15 -5.380 -10.815 8.676 106 HB3 LEU 15 HB1 LEU 15 -6.431 -11.185 10.036 107 HG LEU 15 HG LEU 15 -3.861 -9.715 10.574 108 HD11 LEU 15 HD11 LEU 15 -5.187 -8.592 8.645 109 HD12 LEU 15 HD12 LEU 15 -4.764 -7.600 10.035 110 HD13 LEU 15 HD13 LEU 15 -6.395 -8.228 9.871 111 HD21 LEU 15 HD21 LEU 15 -6.647 -9.585 11.782 112 HD22 LEU 15 HD22 LEU 15 -5.220 -8.757 12.393 113 HD23 LEU 15 HD23 LEU 15 -5.303 -10.513 12.442 114 H TYR 16 HN TYR 16 -4.632 -13.318 7.842 115 HA TYR 16 HA TYR 16 -6.916 -14.926 8.079 116 HB2 TYR 16 HB2 TYR 16 -6.076 -14.852 5.911 117 HB3 TYR 16 HB1 TYR 16 -4.412 -14.994 6.447 118 HD1 TYR 16 HD1 TYR 16 -3.439 -16.905 5.503 119 HD2 TYR 16 HD2 TYR 16 -7.455 -17.125 7.014 120 HE1 TYR 16 HE1 TYR 16 -3.480 -19.334 5.033 121 HE2 TYR 16 HE2 TYR 16 -7.498 -19.559 6.537 122 HH TYR 16 HH TYR 16 -5.154 -21.416 6.250 123 H LEU 17 HN LEU 17 -3.573 -15.642 9.070 124 HA LEU 17 HA LEU 17 -4.251 -18.322 10.016 125 HB2 LEU 17 HB2 LEU 17 -1.818 -16.549 10.401 126 HB3 LEU 17 HB1 LEU 17 -1.955 -18.164 11.085 127 HG LEU 17 HG LEU 17 -2.508 -18.884 8.606 128 HD11 LEU 17 HD11 LEU 17 -2.648 -16.617 7.679 129 HD12 LEU 17 HD12 LEU 17 -1.284 -17.468 6.964 130 HD13 LEU 17 HD13 LEU 17 -1.010 -16.276 8.233 131 HD21 LEU 17 HD21 LEU 17 -0.488 -19.556 9.876 132 HD22 LEU 17 HD22 LEU 17 0.288 -18.037 9.430 133 HD23 LEU 17 HD23 LEU 17 -0.104 -19.224 8.187 134 H VAL 18 HN VAL 18 -3.396 -15.240 11.564 135 HA VAL 18 HA VAL 18 -3.674 -15.944 14.257 136 HB VAL 18 HB VAL 18 -4.705 -13.376 13.031 137 HG11 VAL 18 HG11 VAL 18 -3.423 -13.900 15.710 138 HG12 VAL 18 HG12 VAL 18 -5.162 -13.778 15.446 139 HG13 VAL 18 HG13 VAL 18 -4.125 -12.383 15.148 140 HG21 VAL 18 HG21 VAL 18 -1.885 -14.259 13.690 141 HG22 VAL 18 HG22 VAL 18 -2.333 -12.566 13.483 142 HG23 VAL 18 HG23 VAL 18 -2.497 -13.692 12.137 143 H CYS 19 HN CYS 19 -6.239 -14.679 12.124 144 HA CYS 19 HA CYS 19 -8.339 -15.248 14.058 145 HB2 CYS 19 HB2 CYS 19 -8.729 -14.668 11.119 146 HB3 CYS 19 HB1 CYS 19 -9.781 -14.245 12.475 147 H GLY 20 HN GLY 20 -6.829 -16.997 11.445 148 HA2 GLY 20 HA2 GLY 20 -7.322 -19.103 10.520 149 HA3 GLY 20 HA1 GLY 20 -8.009 -19.474 12.104 150 H GLU 21 HN GLU 21 -10.168 -19.898 12.114 151 HA GLU 21 HA GLU 21 -11.748 -19.323 9.697 152 HB2 GLU 21 HB2 GLU 21 -12.754 -20.560 12.267 153 HB3 GLU 21 HB1 GLU 21 -13.422 -20.736 10.645 154 HG2 GLU 21 HG2 GLU 21 -12.233 -22.753 11.002 155 HG3 GLU 21 HG1 GLU 21 -11.143 -21.778 10.017 156 H ARG 22 HN ARG 22 -11.320 -17.988 12.886 157 HA ARG 22 HA ARG 22 -13.786 -16.672 13.258 158 HB2 ARG 22 HB2 ARG 22 -10.973 -15.769 13.937 159 HB3 ARG 22 HB1 ARG 22 -12.418 -14.927 14.487 160 HG2 ARG 22 HG2 ARG 22 -12.169 -17.891 14.985 161 HG3 ARG 22 HG1 ARG 22 -11.296 -16.768 16.024 162 HD2 ARG 22 HD2 ARG 22 -13.438 -15.575 16.486 163 HD3 ARG 22 HD1 ARG 22 -14.289 -16.784 15.527 164 HE ARG 22 HE ARG 22 -12.903 -18.286 17.393 165 HH11 ARG 22 HH11 ARG 22 -13.784 -18.836 19.403 166 HH12 ARG 22 HH12 ARG 22 -15.022 -17.840 20.092 167 HH21 ARG 22 HH21 ARG 22 -15.058 -15.597 17.448 168 HH22 ARG 22 HH22 ARG 22 -15.742 -16.004 18.985 169 H GLY 23 HN GLY 23 -11.005 -15.754 11.261 170 HA2 GLY 23 HA2 GLY 23 -10.958 -14.303 9.402 171 HA3 GLY 23 HA1 GLY 23 -12.708 -14.140 9.548 172 H PHE 24 HN PHE 24 -11.093 -11.928 8.988 173 HA PHE 24 HA PHE 24 -11.545 -10.255 11.426 174 HB2 PHE 24 HB2 PHE 24 -9.436 -9.021 10.923 175 HB3 PHE 24 HB1 PHE 24 -9.150 -10.689 11.385 176 HD1 PHE 24 HD1 PHE 24 -9.018 -12.451 9.462 177 HD2 PHE 24 HD2 PHE 24 -8.553 -8.212 8.910 178 HE1 PHE 24 HE1 PHE 24 -7.871 -12.864 7.300 179 HE2 PHE 24 HE2 PHE 24 -7.401 -8.632 6.741 180 HZ PHE 24 HZ PHE 24 -7.082 -10.950 5.951 181 H PHE 25 HN PHE 25 -11.398 -7.824 10.649 182 HA PHE 25 HA PHE 25 -12.756 -7.638 7.982 183 HB2 PHE 25 HB2 PHE 25 -14.022 -5.845 8.859 184 HB3 PHE 25 HB1 PHE 25 -13.975 -7.026 10.169 185 HD1 PHE 25 HD1 PHE 25 -13.144 -3.692 9.161 186 HD2 PHE 25 HD2 PHE 25 -12.197 -6.753 11.995 187 HE1 PHE 25 HE1 PHE 25 -12.077 -1.991 10.620 188 HE2 PHE 25 HE2 PHE 25 -11.125 -5.065 13.457 189 HZ PHE 25 HZ PHE 25 -11.066 -2.684 12.776 190 H TYR 26 HN TYR 26 -11.550 -6.656 6.425 191 HA TYR 26 HA TYR 26 -9.191 -5.032 7.244 192 HB2 TYR 26 HB2 TYR 26 -9.259 -6.921 5.377 193 HB3 TYR 26 HB1 TYR 26 -9.877 -5.618 4.365 194 HD1 TYR 26 HD1 TYR 26 -7.126 -6.352 6.796 195 HD2 TYR 26 HD2 TYR 26 -8.335 -4.168 3.306 196 HE1 TYR 26 HE1 TYR 26 -4.809 -5.533 6.519 197 HE2 TYR 26 HE2 TYR 26 -6.011 -3.326 3.038 198 HH TYR 26 HH TYR 26 -3.682 -3.558 5.452 199 H THR 27 HN THR 27 -8.857 -2.981 5.841 200 HA THR 27 HA THR 27 -11.104 -1.272 6.221 201 HB THR 27 HB THR 27 -8.901 -0.309 6.245 202 HG1 THR 27 HG1 THR 27 -10.120 0.478 3.814 203 HG21 THR 27 HG21 THR 27 -8.660 -1.270 3.382 204 HG22 THR 27 HG22 THR 27 -7.833 -1.977 4.768 205 HG23 THR 27 HG23 THR 27 -7.453 -0.333 4.260 206 HA PRO 28 HA PRO 28 -13.186 -2.203 2.343 207 HB2 PRO 28 HB2 PRO 28 -14.845 -0.002 2.184 208 HB3 PRO 28 HB1 PRO 28 -15.166 -1.386 3.230 209 HG2 PRO 28 HG2 PRO 28 -14.144 1.318 3.981 210 HG3 PRO 28 HG1 PRO 28 -15.102 0.180 4.937 211 HD2 PRO 28 HD2 PRO 28 -12.326 0.587 5.212 212 HD3 PRO 28 HD1 PRO 28 -13.231 -0.818 5.823 213 H ARG 29 HN ARG 29 -11.712 0.903 3.026 214 HA ARG 29 HA ARG 29 -10.716 1.052 0.228 215 HB2 ARG 29 HB2 ARG 29 -11.098 3.609 0.405 216 HB3 ARG 29 HB1 ARG 29 -12.483 2.596 0.020 217 HG2 ARG 29 HG2 ARG 29 -12.145 2.900 2.934 218 HG3 ARG 29 HG1 ARG 29 -12.327 4.453 2.136 219 HD2 ARG 29 HD2 ARG 29 -14.178 2.097 1.775 220 HD3 ARG 29 HD1 ARG 29 -14.514 3.460 2.829 221 HE ARG 29 HE ARG 29 -14.952 3.304 -0.019 222 HH11 ARG 29 HH11 ARG 29 -15.204 5.107 -1.317 223 HH12 ARG 29 HH12 ARG 29 -14.774 6.670 -0.707 224 HH21 ARG 29 HH21 ARG 29 -13.779 5.488 2.391 225 HH22 ARG 29 HH22 ARG 29 -13.966 6.884 1.383 226 H THR 30 HN THR 30 -10.486 3.545 2.740 227 HA THR 30 HA THR 30 -7.752 2.672 3.426 228 HB THR 30 HB THR 30 -6.810 4.871 2.843 229 HG1 THR 30 HG1 THR 30 -8.223 6.393 2.669 230 HG21 THR 30 HG21 THR 30 -6.931 2.951 1.174 231 HG22 THR 30 HG22 THR 30 -6.735 4.556 0.475 232 HG23 THR 30 HG23 THR 30 -8.317 3.780 0.464 233 H GLU 31 HN GLU 31 -7.689 5.805 4.121 234 HA GLU 31 HA GLU 31 -7.884 5.590 6.902 235 HB2 GLU 31 HB2 GLU 31 -8.658 8.050 5.315 236 HB3 GLU 31 HB1 GLU 31 -8.038 8.001 6.966 237 HG2 GLU 31 HG2 GLU 31 -5.931 6.962 6.075 238 HG3 GLU 31 HG1 GLU 31 -6.547 7.229 4.444 239 H GLU 32 HN GLU 32 -10.378 5.281 4.692 240 HA GLU 32 HA GLU 32 -12.702 5.177 4.897 241 HB2 GLU 32 HB2 GLU 32 -11.691 4.529 7.648 242 HB3 GLU 32 HB1 GLU 32 -13.419 4.538 7.311 243 HG2 GLU 32 HG2 GLU 32 -12.702 2.948 5.298 244 HG3 GLU 32 HG1 GLU 32 -11.273 2.680 6.291 245 H GLY 33 HN GLY 33 -11.862 6.614 8.025 246 HA2 GLY 33 HA2 GLY 33 -12.799 9.259 7.269 247 HA3 GLY 33 HA1 GLY 33 -13.965 8.404 8.276 248 H SER 34 HN SER 34 -13.044 7.466 10.323 249 HA SER 34 HA SER 34 -11.402 9.513 11.663 250 HB2 SER 34 HB2 SER 34 -13.380 8.600 12.812 251 HB3 SER 34 HB1 SER 34 -12.698 6.979 12.721 252 HG SER 34 HG SER 34 -11.758 9.231 14.160 253 H ARG 35 HN ARG 35 -10.687 6.872 13.376 254 HA ARG 35 HA ARG 35 -8.022 6.589 12.093 255 HB2 ARG 35 HB2 ARG 35 -7.675 5.187 14.304 256 HB3 ARG 35 HB1 ARG 35 -7.735 6.947 14.388 257 HG2 ARG 35 HG2 ARG 35 -10.039 6.911 15.067 258 HG3 ARG 35 HG1 ARG 35 -10.176 5.191 14.774 259 HD2 ARG 35 HD2 ARG 35 -9.898 5.609 17.173 260 HD3 ARG 35 HD1 ARG 35 -8.482 4.772 16.540 261 HE ARG 35 HE ARG 35 -7.804 7.449 16.341 262 HH11 ARG 35 HH11 ARG 35 -6.763 8.567 18.008 263 HH12 ARG 35 HH12 ARG 35 -6.932 8.015 19.641 264 HH21 ARG 35 HH21 ARG 35 -8.976 5.342 18.806 265 HH22 ARG 35 HH22 ARG 35 -8.184 6.189 20.092 266 H ARG 36 HN ARG 36 -9.173 4.008 14.035 267 HA ARG 36 HA ARG 36 -9.477 1.738 13.566 268 HB2 ARG 36 HB2 ARG 36 -10.891 2.970 11.194 269 HB3 ARG 36 HB1 ARG 36 -11.033 1.281 11.673 270 HG2 ARG 36 HG2 ARG 36 -11.583 3.432 13.705 271 HG3 ARG 36 HG1 ARG 36 -12.810 3.059 12.511 272 HD2 ARG 36 HD2 ARG 36 -13.187 0.930 13.343 273 HD3 ARG 36 HD1 ARG 36 -11.552 0.744 13.959 274 HE ARG 36 HE ARG 36 -13.869 1.664 15.413 275 HH11 ARG 36 HH11 ARG 36 -13.711 2.775 17.350 276 HH12 ARG 36 HH12 ARG 36 -12.192 3.464 17.820 277 HH21 ARG 36 HH21 ARG 36 -10.514 2.371 14.995 278 HH22 ARG 36 HH22 ARG 36 -10.388 3.236 16.490 279 H SER 37 HN SER 37 -9.362 2.679 10.178 280 HA SER 37 HA SER 37 -7.744 0.641 9.251 281 HB2 SER 37 HB2 SER 37 -8.140 1.809 7.344 282 HB3 SER 37 HB1 SER 37 -8.575 3.231 8.285 283 HG SER 37 HG SER 37 -5.943 2.414 7.582 284 H ARG 38 HN ARG 38 -6.395 3.882 10.055 285 HA ARG 38 HA ARG 38 -3.682 3.033 9.953 286 HB2 ARG 38 HB2 ARG 38 -3.250 5.046 11.421 287 HB3 ARG 38 HB1 ARG 38 -4.185 5.396 9.967 288 HG2 ARG 38 HG2 ARG 38 -6.263 5.323 11.239 289 HG3 ARG 38 HG1 ARG 38 -5.386 4.864 12.699 290 HD2 ARG 38 HD2 ARG 38 -5.056 7.465 11.174 291 HD3 ARG 38 HD1 ARG 38 -5.871 7.273 12.726 292 HE ARG 38 HE ARG 38 -3.337 6.251 13.181 293 HH11 ARG 38 HH11 ARG 38 -1.626 7.531 13.914 294 HH12 ARG 38 HH12 ARG 38 -1.639 9.234 13.600 295 HH21 ARG 38 HH21 ARG 38 -4.668 9.167 11.913 296 HH22 ARG 38 HH22 ARG 38 -3.363 10.162 12.468 297 H GLY 39 HN GLY 39 -6.107 2.181 12.139 298 HA2 GLY 39 HA2 GLY 39 -4.351 1.834 14.466 299 HA3 GLY 39 HA1 GLY 39 -6.031 1.308 14.345 300 H ILE 40 HN ILE 40 -5.646 -0.130 11.834 301 HA ILE 40 HA ILE 40 -4.315 -2.545 12.945 302 HB ILE 40 HB ILE 40 -6.787 -2.315 12.027 303 HG12 ILE 40 HG12 ILE 40 -6.418 -4.457 12.777 304 HG13 ILE 40 HG11 ILE 40 -6.518 -4.802 11.069 305 HG21 ILE 40 HG21 ILE 40 -7.060 -2.939 9.706 306 HG22 ILE 40 HG22 ILE 40 -5.317 -3.007 9.477 307 HG23 ILE 40 HG23 ILE 40 -6.103 -1.467 9.820 308 HD11 ILE 40 HD11 ILE 40 -3.915 -4.509 11.095 309 HD12 ILE 40 HD12 ILE 40 -4.611 -5.987 11.720 310 HD13 ILE 40 HD13 ILE 40 -4.067 -4.744 12.833 311 H VAL 41 HN VAL 41 -4.485 -0.768 9.798 312 HA VAL 41 HA VAL 41 -2.340 -2.307 8.650 313 HB VAL 41 HB VAL 41 -3.034 0.499 7.772 314 HG11 VAL 41 HG11 VAL 41 -2.261 -2.021 6.264 315 HG12 VAL 41 HG12 VAL 41 -1.155 -0.711 6.675 316 HG13 VAL 41 HG13 VAL 41 -2.492 -0.420 5.562 317 HG21 VAL 41 HG21 VAL 41 -5.195 -0.444 7.964 318 HG22 VAL 41 HG22 VAL 41 -4.639 -2.044 7.475 319 HG23 VAL 41 HG23 VAL 41 -4.755 -0.748 6.287 320 H GLU 42 HN GLU 42 -2.229 1.186 9.525 321 HA GLU 42 HA GLU 42 0.587 1.369 9.341 322 HB2 GLU 42 HB2 GLU 42 -1.276 2.958 11.121 323 HB3 GLU 42 HB1 GLU 42 0.382 3.406 10.732 324 HG2 GLU 42 HG2 GLU 42 -1.746 2.936 8.630 325 HG3 GLU 42 HG1 GLU 42 -1.378 4.527 9.296 326 H GLN 43 HN GLN 43 -1.385 0.788 12.278 327 HA GLN 43 HA GLN 43 0.646 0.672 14.178 328 HB2 GLN 43 HB2 GLN 43 -1.799 0.333 14.622 329 HB3 GLN 43 HB1 GLN 43 -1.643 -1.307 13.992 330 HG2 GLN 43 HG2 GLN 43 -0.195 -1.966 15.755 331 HG3 GLN 43 HG1 GLN 43 0.113 -0.298 16.235 332 HE21 GLN 43 HE21 GLN 43 -2.870 -2.277 15.697 333 HE22 GLN 43 HE22 GLN 43 -3.606 -1.818 17.155 334 H CYS 44 HN CYS 44 -0.448 -2.076 12.150 335 HA CYS 44 HA CYS 44 1.789 -3.724 13.034 336 HB2 CYS 44 HB2 CYS 44 -0.374 -4.095 10.940 337 HB3 CYS 44 HB1 CYS 44 0.834 -5.315 11.327 338 H CYS 45 HN CYS 45 0.851 -2.285 9.904 339 HA CYS 45 HA CYS 45 3.221 -3.007 8.497 340 HB2 CYS 45 HB2 CYS 45 1.179 -2.153 7.382 341 HB3 CYS 45 HB1 CYS 45 1.452 -0.575 8.114 342 H ARG 46 HN ARG 46 2.414 0.083 10.116 343 HA ARG 46 HA ARG 46 4.983 1.245 9.669 344 HB2 ARG 46 HB2 ARG 46 2.699 2.299 10.466 345 HB3 ARG 46 HB1 ARG 46 3.322 1.963 12.079 346 HG2 ARG 46 HG2 ARG 46 4.813 3.532 9.952 347 HG3 ARG 46 HG1 ARG 46 3.879 4.261 11.248 348 HD2 ARG 46 HD2 ARG 46 5.454 2.625 12.728 349 HD3 ARG 46 HD1 ARG 46 6.538 2.910 11.370 350 HE ARG 46 HE ARG 46 6.070 4.726 13.479 351 HH11 ARG 46 HH11 ARG 46 6.258 6.956 13.308 352 HH12 ARG 46 HH12 ARG 46 6.283 7.696 11.742 353 HH21 ARG 46 HH21 ARG 46 6.009 4.708 10.025 354 HH22 ARG 46 HH22 ARG 46 6.134 6.425 9.890 355 H SER 47 HN SER 47 3.706 -0.728 12.352 356 HA SER 47 HA SER 47 6.532 -1.082 13.292 357 HB2 SER 47 HB2 SER 47 4.155 -0.575 15.108 358 HB3 SER 47 HB1 SER 47 5.812 -0.878 15.623 359 HG SER 47 HG SER 47 6.408 1.030 14.504 360 H ILE 48 HN ILE 48 6.928 -3.137 14.241 361 HA ILE 48 HA ILE 48 5.259 -5.265 13.249 362 HB ILE 48 HB ILE 48 7.405 -5.388 15.390 363 HG12 ILE 48 HG12 ILE 48 7.658 -5.851 12.403 364 HG13 ILE 48 HG11 ILE 48 8.117 -4.346 13.201 365 HG21 ILE 48 HG21 ILE 48 6.220 -7.487 13.548 366 HG22 ILE 48 HG22 ILE 48 6.009 -7.398 15.296 367 HG23 ILE 48 HG23 ILE 48 7.599 -7.746 14.617 368 HD11 ILE 48 HD11 ILE 48 9.677 -5.632 14.658 369 HD12 ILE 48 HD12 ILE 48 10.091 -5.766 12.949 370 HD13 ILE 48 HD13 ILE 48 9.267 -7.095 13.764 371 H CYS 49 HN CYS 49 3.185 -5.220 14.084 372 HA CYS 49 HA CYS 49 2.720 -4.859 16.958 373 HB2 CYS 49 HB2 CYS 49 0.360 -5.121 16.384 374 HB3 CYS 49 HB1 CYS 49 1.115 -4.025 15.235 375 H SER 50 HN SER 50 2.224 -6.507 18.415 376 HA SER 50 HA SER 50 3.160 -9.160 17.769 377 HB2 SER 50 HB2 SER 50 1.443 -8.469 20.154 378 HB3 SER 50 HB1 SER 50 2.692 -9.704 20.028 379 HG SER 50 HG SER 50 3.463 -7.866 21.121 380 H LEU 51 HN LEU 51 1.835 -11.133 17.894 381 HA LEU 51 HA LEU 51 -0.402 -11.130 16.184 382 HB2 LEU 51 HB2 LEU 51 0.010 -13.108 18.442 383 HB3 LEU 51 HB1 LEU 51 -0.812 -13.389 16.909 384 HG LEU 51 HG LEU 51 2.139 -12.761 17.227 385 HD11 LEU 51 HD11 LEU 51 2.437 -15.111 16.492 386 HD12 LEU 51 HD12 LEU 51 0.688 -15.329 16.527 387 HD13 LEU 51 HD13 LEU 51 1.566 -15.009 18.022 388 HD21 LEU 51 HD21 LEU 51 2.074 -13.558 14.754 389 HD22 LEU 51 HD22 LEU 51 1.502 -11.929 15.102 390 HD23 LEU 51 HD23 LEU 51 0.343 -13.232 14.841 391 H TYR 52 HN TYR 52 -0.205 -10.604 19.653 392 HA TYR 52 HA TYR 52 -2.851 -10.946 20.464 393 HB2 TYR 52 HB2 TYR 52 -0.782 -10.086 21.793 394 HB3 TYR 52 HB1 TYR 52 -1.300 -8.485 21.282 395 HD1 TYR 52 HD1 TYR 52 -3.690 -7.776 21.781 396 HD2 TYR 52 HD2 TYR 52 -1.845 -11.188 23.605 397 HE1 TYR 52 HE1 TYR 52 -5.401 -7.733 23.579 398 HE2 TYR 52 HE2 TYR 52 -3.552 -11.153 25.406 399 HH TYR 52 HH TYR 52 -5.323 -8.701 26.209 400 H GLN 53 HN GLN 53 -1.466 -7.943 19.081 401 HA GLN 53 HA GLN 53 -3.947 -6.541 18.910 402 HB2 GLN 53 HB2 GLN 53 -1.556 -6.248 17.075 403 HB3 GLN 53 HB1 GLN 53 -2.794 -5.033 17.400 404 HG2 GLN 53 HG2 GLN 53 -2.117 -5.172 19.849 405 HG3 GLN 53 HG1 GLN 53 -0.732 -6.125 19.324 406 HE21 GLN 53 HE21 GLN 53 1.098 -4.902 18.887 407 HE22 GLN 53 HE22 GLN 53 1.099 -3.266 18.432 408 H LEU 54 HN LEU 54 -2.189 -8.417 16.405 409 HA LEU 54 HA LEU 54 -4.119 -8.137 14.370 410 HB2 LEU 54 HB2 LEU 54 -2.348 -10.488 14.964 411 HB3 LEU 54 HB1 LEU 54 -3.212 -10.245 13.450 412 HG LEU 54 HG LEU 54 -1.196 -8.321 14.623 413 HD11 LEU 54 HD11 LEU 54 -0.876 -10.073 12.171 414 HD12 LEU 54 HD12 LEU 54 -0.327 -10.576 13.771 415 HD13 LEU 54 HD13 LEU 54 0.368 -9.148 13.012 416 HD21 LEU 54 HD21 LEU 54 -2.526 -6.969 13.273 417 HD22 LEU 54 HD22 LEU 54 -2.958 -8.288 12.187 418 HD23 LEU 54 HD23 LEU 54 -1.365 -7.546 12.085 419 H GLU 55 HN GLU 55 -3.951 -10.263 17.105 420 HA GLU 55 HA GLU 55 -6.228 -11.883 16.374 421 HB2 GLU 55 HB2 GLU 55 -4.351 -12.456 18.040 422 HB3 GLU 55 HB1 GLU 55 -5.221 -11.431 19.172 423 HG2 GLU 55 HG2 GLU 55 -6.687 -13.643 17.734 424 HG3 GLU 55 HG1 GLU 55 -5.707 -14.011 19.147 425 H ASN 56 HN ASN 56 -5.899 -8.713 17.414 426 HA ASN 56 HA ASN 56 -8.305 -8.556 19.054 427 HB2 ASN 56 HB2 ASN 56 -6.239 -7.014 19.109 428 HB3 ASN 56 HB1 ASN 56 -6.939 -6.234 17.692 429 HD21 ASN 56 HD21 ASN 56 -6.614 -4.942 20.291 430 HD22 ASN 56 HD22 ASN 56 -8.167 -4.573 20.865 431 H TYR 57 HN TYR 57 -7.638 -8.356 15.645 432 HA TYR 57 HA TYR 57 -10.299 -7.128 15.106 433 HB2 TYR 57 HB2 TYR 57 -8.217 -7.840 13.047 434 HB3 TYR 57 HB1 TYR 57 -9.439 -6.579 12.979 435 HD1 TYR 57 HD1 TYR 57 -9.208 -4.532 14.497 436 HD2 TYR 57 HD2 TYR 57 -6.146 -7.478 14.077 437 HE1 TYR 57 HE1 TYR 57 -7.578 -2.958 15.473 438 HE2 TYR 57 HE2 TYR 57 -4.490 -5.913 15.063 439 HH TYR 57 HH TYR 57 -4.796 -3.766 16.766 440 H CYS 58 HN CYS 58 -8.913 -10.177 15.390 441 HA CYS 58 HA CYS 58 -10.117 -11.592 13.238 442 HB2 CYS 58 HB2 CYS 58 -9.399 -12.501 16.032 443 HB3 CYS 58 HB1 CYS 58 -9.857 -13.583 14.720 444 H GLY 59 HN GLY 59 -12.243 -11.007 12.897 445 HA2 GLY 59 HA2 GLY 59 -14.305 -12.382 14.198 446 HA3 GLY 59 HA1 GLY 59 -14.197 -10.828 15.026 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 3.491 -16.885 11.898 2 H2 PHE 1 HT2 PHE 1 3.611 -15.379 12.676 3 H3 PHE 1 HT3 PHE 1 4.661 -16.646 13.103 4 HA PHE 1 HA PHE 1 5.508 -16.600 10.761 5 HB2 PHE 1 HB2 PHE 1 5.100 -14.048 9.930 6 HB3 PHE 1 HB1 PHE 1 4.071 -15.387 9.430 7 HD1 PHE 1 HD1 PHE 1 2.049 -15.952 10.976 8 HD2 PHE 1 HD2 PHE 1 4.139 -12.207 11.030 9 HE1 PHE 1 HE1 PHE 1 0.083 -14.873 12.030 10 HE2 PHE 1 HE2 PHE 1 2.173 -11.113 12.077 11 HZ PHE 1 HZ PHE 1 0.138 -12.459 12.580 12 H VAL 2 HN VAL 2 7.507 -15.401 10.457 13 HA VAL 2 HA VAL 2 8.882 -14.803 12.845 14 HB VAL 2 HB VAL 2 10.484 -13.536 11.240 15 HG11 VAL 2 HG11 VAL 2 11.246 -15.663 10.245 16 HG12 VAL 2 HG12 VAL 2 9.713 -16.415 10.686 17 HG13 VAL 2 HG13 VAL 2 10.821 -15.867 11.944 18 HG21 VAL 2 HG21 VAL 2 10.066 -13.779 8.891 19 HG22 VAL 2 HG22 VAL 2 8.585 -13.123 9.589 20 HG23 VAL 2 HG23 VAL 2 8.684 -14.836 9.181 21 H ASN 3 HN ASN 3 10.118 -12.389 12.650 22 HA ASN 3 HA ASN 3 7.907 -10.516 13.326 23 HB2 ASN 3 HB2 ASN 3 9.880 -9.097 14.155 24 HB3 ASN 3 HB1 ASN 3 9.570 -10.598 15.027 25 HD21 ASN 3 HD21 ASN 3 10.841 -11.279 11.940 26 HD22 ASN 3 HD22 ASN 3 12.462 -11.497 12.392 27 H GLN 4 HN GLN 4 7.224 -9.200 11.718 28 HA GLN 4 HA GLN 4 9.168 -7.712 10.117 29 HB2 GLN 4 HB2 GLN 4 8.118 -8.469 7.937 30 HB3 GLN 4 HB1 GLN 4 9.112 -9.681 8.741 31 HG2 GLN 4 HG2 GLN 4 6.990 -10.596 9.782 32 HG3 GLN 4 HG1 GLN 4 6.088 -9.506 8.728 33 HE21 GLN 4 HE21 GLN 4 6.797 -12.653 8.847 34 HE22 GLN 4 HE22 GLN 4 7.064 -12.995 7.206 35 H HIS 5 HN HIS 5 8.038 -6.080 8.745 36 HA HIS 5 HA HIS 5 5.738 -5.014 10.196 37 HB2 HIS 5 HB2 HIS 5 6.016 -3.356 8.001 38 HB3 HIS 5 HB1 HIS 5 6.895 -3.155 9.507 39 HD2 HIS 5 HD2 HIS 5 9.471 -4.811 9.404 40 HE1 HIS 5 HE1 HIS 5 9.857 -3.910 5.302 41 HE2 HIS 5 HE2 HIS 5 11.078 -4.760 7.359 42 H LEU 6 HN LEU 6 3.679 -5.486 9.733 43 HA LEU 6 HA LEU 6 3.020 -6.930 7.227 44 HB2 LEU 6 HB2 LEU 6 1.770 -6.484 9.899 45 HB3 LEU 6 HB1 LEU 6 0.668 -6.700 8.553 46 HG LEU 6 HG LEU 6 1.524 -8.882 8.075 47 HD11 LEU 6 HD11 LEU 6 3.825 -8.002 9.794 48 HD12 LEU 6 HD12 LEU 6 3.850 -8.809 8.227 49 HD13 LEU 6 HD13 LEU 6 3.453 -9.721 9.676 50 HD21 LEU 6 HD21 LEU 6 1.263 -10.030 10.265 51 HD22 LEU 6 HD22 LEU 6 0.015 -8.820 10.000 52 HD23 LEU 6 HD23 LEU 6 1.365 -8.473 11.066 53 H CYS 7 HN CYS 7 2.477 -5.685 5.474 54 HA CYS 7 HA CYS 7 0.771 -3.267 5.944 55 HB2 CYS 7 HB2 CYS 7 3.006 -3.519 3.916 56 HB3 CYS 7 HB1 CYS 7 1.981 -2.107 4.175 57 H GLY 8 HN GLY 8 -1.088 -3.402 4.900 58 HA2 GLY 8 HA2 GLY 8 -2.711 -3.997 3.343 59 HA3 GLY 8 HA1 GLY 8 -1.400 -4.206 2.182 60 H SER 9 HN SER 9 -1.921 -6.137 1.255 61 HA SER 9 HA SER 9 -3.252 -8.329 2.243 62 HB2 SER 9 HB2 SER 9 -0.764 -8.500 0.523 63 HB3 SER 9 HB1 SER 9 -2.048 -9.702 0.629 64 HG SER 9 HG SER 9 -2.518 -8.455 -1.124 65 H HIS 10 HN HIS 10 0.127 -7.499 2.932 66 HA HIS 10 HA HIS 10 0.887 -9.952 4.139 67 HB2 HIS 10 HB2 HIS 10 2.317 -7.850 3.615 68 HB3 HIS 10 HB1 HIS 10 1.777 -7.274 5.186 69 HD2 HIS 10 HD2 HIS 10 4.815 -7.798 5.492 70 HE1 HIS 10 HE1 HIS 10 3.999 -11.798 6.575 71 HE2 HIS 10 HE2 HIS 10 5.762 -9.966 6.570 72 H LEU 11 HN LEU 11 -0.966 -7.220 5.368 73 HA LEU 11 HA LEU 11 -0.997 -8.158 8.091 74 HB2 LEU 11 HB2 LEU 11 -1.416 -5.773 7.442 75 HB3 LEU 11 HB1 LEU 11 -2.912 -6.280 6.680 76 HG LEU 11 HG LEU 11 -3.931 -6.774 8.726 77 HD11 LEU 11 HD11 LEU 11 -2.369 -8.081 9.951 78 HD12 LEU 11 HD12 LEU 11 -2.595 -6.635 10.933 79 HD13 LEU 11 HD13 LEU 11 -1.163 -6.794 9.932 80 HD21 LEU 11 HD21 LEU 11 -3.038 -4.237 8.259 81 HD22 LEU 11 HD22 LEU 11 -2.411 -4.514 9.885 82 HD23 LEU 11 HD23 LEU 11 -4.132 -4.688 9.557 83 H VAL 12 HN VAL 12 -3.441 -8.184 5.510 84 HA VAL 12 HA VAL 12 -5.347 -9.777 6.880 85 HB VAL 12 HB VAL 12 -4.654 -9.585 3.930 86 HG11 VAL 12 HG11 VAL 12 -6.292 -11.594 5.082 87 HG12 VAL 12 HG12 VAL 12 -6.265 -11.113 3.396 88 HG13 VAL 12 HG13 VAL 12 -7.427 -10.385 4.494 89 HG21 VAL 12 HG21 VAL 12 -6.900 -8.336 5.533 90 HG22 VAL 12 HG22 VAL 12 -6.511 -8.023 3.842 91 HG23 VAL 12 HG23 VAL 12 -5.396 -7.518 5.112 92 H GLU 13 HN GLU 13 -2.936 -10.812 4.469 93 HA GLU 13 HA GLU 13 -3.212 -13.558 4.653 94 HB2 GLU 13 HB2 GLU 13 -0.642 -11.966 4.448 95 HB3 GLU 13 HB1 GLU 13 -0.759 -13.701 4.146 96 HG2 GLU 13 HG2 GLU 13 -2.141 -13.403 2.253 97 HG3 GLU 13 HG1 GLU 13 -2.551 -11.748 2.707 98 H ALA 14 HN ALA 14 -1.808 -11.405 7.060 99 HA ALA 14 HA ALA 14 -0.753 -13.676 8.632 100 HB1 ALA 14 HB1 ALA 14 -0.800 -10.682 8.915 101 HB2 ALA 14 HB2 ALA 14 0.588 -11.763 8.849 102 HB3 ALA 14 HB3 ALA 14 -0.399 -11.684 10.309 103 H LEU 15 HN LEU 15 -3.096 -11.035 9.345 104 HA LEU 15 HA LEU 15 -4.211 -12.060 11.673 105 HB2 LEU 15 HB2 LEU 15 -5.515 -10.610 9.371 106 HB3 LEU 15 HB1 LEU 15 -6.416 -11.025 10.823 107 HG LEU 15 HG LEU 15 -3.785 -9.592 11.130 108 HD11 LEU 15 HD11 LEU 15 -6.371 -8.075 10.754 109 HD12 LEU 15 HD12 LEU 15 -5.289 -8.383 9.404 110 HD13 LEU 15 HD13 LEU 15 -4.729 -7.450 10.787 111 HD21 LEU 15 HD21 LEU 15 -6.420 -9.516 12.642 112 HD22 LEU 15 HD22 LEU 15 -4.942 -8.686 13.116 113 HD23 LEU 15 HD23 LEU 15 -5.001 -10.444 13.118 114 H TYR 16 HN TYR 16 -4.813 -13.074 8.361 115 HA TYR 16 HA TYR 16 -7.079 -14.697 8.723 116 HB2 TYR 16 HB2 TYR 16 -6.475 -14.519 6.492 117 HB3 TYR 16 HB1 TYR 16 -4.760 -14.610 6.848 118 HD1 TYR 16 HD1 TYR 16 -3.849 -16.399 5.637 119 HD2 TYR 16 HD2 TYR 16 -7.602 -16.925 7.661 120 HE1 TYR 16 HE1 TYR 16 -3.847 -18.796 5.015 121 HE2 TYR 16 HE2 TYR 16 -7.599 -19.326 7.036 122 HH TYR 16 HH TYR 16 -6.179 -20.640 4.798 123 H LEU 17 HN LEU 17 -3.656 -15.430 9.360 124 HA LEU 17 HA LEU 17 -4.242 -18.165 10.220 125 HB2 LEU 17 HB2 LEU 17 -1.774 -16.415 10.465 126 HB3 LEU 17 HB1 LEU 17 -1.856 -18.066 11.062 127 HG LEU 17 HG LEU 17 -2.641 -18.645 8.614 128 HD11 LEU 17 HD11 LEU 17 -1.226 -15.989 8.261 129 HD12 LEU 17 HD12 LEU 17 -2.886 -16.364 7.795 130 HD13 LEU 17 HD13 LEU 17 -1.540 -17.125 6.952 131 HD21 LEU 17 HD21 LEU 17 0.224 -17.826 9.192 132 HD22 LEU 17 HD22 LEU 17 -0.296 -18.963 7.948 133 HD23 LEU 17 HD23 LEU 17 -0.503 -19.365 9.653 134 H VAL 18 HN VAL 18 -3.218 -15.163 11.824 135 HA VAL 18 HA VAL 18 -3.238 -15.994 14.495 136 HB VAL 18 HB VAL 18 -4.373 -13.367 13.513 137 HG11 VAL 18 HG11 VAL 18 -4.538 -13.931 15.950 138 HG12 VAL 18 HG12 VAL 18 -3.598 -12.481 15.598 139 HG13 VAL 18 HG13 VAL 18 -2.777 -13.992 15.992 140 HG21 VAL 18 HG21 VAL 18 -2.284 -13.611 12.360 141 HG22 VAL 18 HG22 VAL 18 -1.503 -14.293 13.787 142 HG23 VAL 18 HG23 VAL 18 -1.949 -12.587 13.756 143 H CYS 19 HN CYS 19 -5.981 -14.630 12.674 144 HA CYS 19 HA CYS 19 -7.886 -15.286 14.775 145 HB2 CYS 19 HB2 CYS 19 -8.561 -14.540 11.927 146 HB3 CYS 19 HB1 CYS 19 -9.465 -14.178 13.403 147 H GLY 20 HN GLY 20 -6.651 -16.906 11.947 148 HA2 GLY 20 HA2 GLY 20 -7.264 -18.949 10.949 149 HA3 GLY 20 HA1 GLY 20 -7.760 -19.414 12.579 150 H GLU 21 HN GLU 21 -9.894 -19.884 12.794 151 HA GLU 21 HA GLU 21 -11.753 -19.152 10.631 152 HB2 GLU 21 HB2 GLU 21 -12.157 -20.733 13.190 153 HB3 GLU 21 HB1 GLU 21 -13.384 -20.514 11.940 154 HG2 GLU 21 HG2 GLU 21 -12.034 -21.672 10.309 155 HG3 GLU 21 HG1 GLU 21 -10.656 -21.718 11.409 156 H ARG 22 HN ARG 22 -10.887 -18.015 13.789 157 HA ARG 22 HA ARG 22 -13.272 -16.750 14.613 158 HB2 ARG 22 HB2 ARG 22 -10.439 -15.695 14.880 159 HB3 ARG 22 HB1 ARG 22 -11.819 -15.186 15.849 160 HG2 ARG 22 HG2 ARG 22 -11.076 -18.109 15.735 161 HG3 ARG 22 HG1 ARG 22 -10.174 -17.022 16.787 162 HD2 ARG 22 HD2 ARG 22 -13.177 -17.453 16.840 163 HD3 ARG 22 HD1 ARG 22 -12.021 -18.051 18.029 164 HE ARG 22 HE ARG 22 -11.588 -15.311 17.994 165 HH11 ARG 22 HH11 ARG 22 -12.701 -13.878 19.337 166 HH12 ARG 22 HH12 ARG 22 -14.249 -14.329 19.971 167 HH21 ARG 22 HH21 ARG 22 -14.275 -17.431 18.418 168 HH22 ARG 22 HH22 ARG 22 -15.140 -16.341 19.451 169 H GLY 23 HN GLY 23 -10.814 -15.685 12.285 170 HA2 GLY 23 HA2 GLY 23 -11.042 -14.148 10.513 171 HA3 GLY 23 HA1 GLY 23 -12.753 -14.014 10.914 172 H PHE 24 HN PHE 24 -11.165 -11.788 10.217 173 HA PHE 24 HA PHE 24 -11.355 -10.170 12.724 174 HB2 PHE 24 HB2 PHE 24 -9.288 -8.948 12.078 175 HB3 PHE 24 HB1 PHE 24 -8.974 -10.639 12.421 176 HD1 PHE 24 HD1 PHE 24 -9.052 -12.299 10.418 177 HD2 PHE 24 HD2 PHE 24 -8.614 -8.041 10.025 178 HE1 PHE 24 HE1 PHE 24 -8.136 -12.612 8.134 179 HE2 PHE 24 HE2 PHE 24 -7.696 -8.356 7.732 180 HZ PHE 24 HZ PHE 24 -7.474 -10.638 6.800 181 H PHE 25 HN PHE 25 -11.255 -7.708 11.959 182 HA PHE 25 HA PHE 25 -12.881 -7.492 9.447 183 HB2 PHE 25 HB2 PHE 25 -14.049 -5.711 10.470 184 HB3 PHE 25 HB1 PHE 25 -13.879 -6.922 11.744 185 HD1 PHE 25 HD1 PHE 25 -13.194 -3.554 10.775 186 HD2 PHE 25 HD2 PHE 25 -11.882 -6.697 13.365 187 HE1 PHE 25 HE1 PHE 25 -11.998 -1.887 12.170 188 HE2 PHE 25 HE2 PHE 25 -10.679 -5.039 14.763 189 HZ PHE 25 HZ PHE 25 -10.739 -2.635 14.170 190 H TYR 26 HN TYR 26 -11.835 -6.519 7.786 191 HA TYR 26 HA TYR 26 -9.493 -4.751 8.376 192 HB2 TYR 26 HB2 TYR 26 -9.441 -6.837 6.751 193 HB3 TYR 26 HB1 TYR 26 -10.190 -5.728 5.605 194 HD1 TYR 26 HD1 TYR 26 -7.290 -6.099 7.903 195 HD2 TYR 26 HD2 TYR 26 -8.853 -4.121 4.436 196 HE1 TYR 26 HE1 TYR 26 -5.053 -5.153 7.450 197 HE2 TYR 26 HE2 TYR 26 -6.606 -3.142 3.993 198 HH TYR 26 HH TYR 26 -3.975 -4.141 4.850 199 H THR 27 HN THR 27 -9.273 -2.897 6.741 200 HA THR 27 HA THR 27 -11.758 -1.369 6.762 201 HB THR 27 HB THR 27 -9.599 -0.280 7.238 202 HG1 THR 27 HG1 THR 27 -10.942 0.481 4.872 203 HG21 THR 27 HG21 THR 27 -7.865 -0.122 5.600 204 HG22 THR 27 HG22 THR 27 -8.905 -0.789 4.341 205 HG23 THR 27 HG23 THR 27 -8.337 -1.819 5.653 206 HA PRO 28 HA PRO 28 -12.937 -2.559 2.620 207 HB2 PRO 28 HB2 PRO 28 -14.232 -0.187 1.856 208 HB3 PRO 28 HB1 PRO 28 -14.985 -1.552 2.673 209 HG2 PRO 28 HG2 PRO 28 -14.215 1.079 3.797 210 HG3 PRO 28 HG1 PRO 28 -15.366 -0.111 4.426 211 HD2 PRO 28 HD2 PRO 28 -12.782 0.372 5.462 212 HD3 PRO 28 HD1 PRO 28 -13.789 -1.051 5.804 213 H ARG 29 HN ARG 29 -12.391 0.927 2.272 214 HA ARG 29 HA ARG 29 -9.805 0.584 0.989 215 HB2 ARG 29 HB2 ARG 29 -10.912 1.671 -1.211 216 HB3 ARG 29 HB1 ARG 29 -10.803 -0.074 -1.000 217 HG2 ARG 29 HG2 ARG 29 -13.070 0.690 -1.708 218 HG3 ARG 29 HG1 ARG 29 -13.092 -0.183 -0.196 219 HD2 ARG 29 HD2 ARG 29 -13.489 1.754 1.060 220 HD3 ARG 29 HD1 ARG 29 -12.848 2.815 -0.175 221 HE ARG 29 HE ARG 29 -15.589 1.971 0.151 222 HH11 ARG 29 HH11 ARG 29 -17.105 2.151 -1.488 223 HH12 ARG 29 HH12 ARG 29 -16.580 2.462 -3.109 224 HH21 ARG 29 HH21 ARG 29 -13.216 2.558 -2.292 225 HH22 ARG 29 HH22 ARG 29 -14.385 2.693 -3.563 226 H THR 30 HN THR 30 -12.128 2.321 2.550 227 HA THR 30 HA THR 30 -12.100 4.961 1.769 228 HB THR 30 HB THR 30 -11.991 5.505 4.294 229 HG1 THR 30 HG1 THR 30 -12.352 2.775 4.681 230 HG21 THR 30 HG21 THR 30 -14.191 4.292 4.683 231 HG22 THR 30 HG22 THR 30 -13.959 3.541 3.104 232 HG23 THR 30 HG23 THR 30 -14.125 5.292 3.232 233 H GLU 31 HN GLU 31 -10.764 6.823 2.473 234 HA GLU 31 HA GLU 31 -8.046 6.368 3.396 235 HB2 GLU 31 HB2 GLU 31 -7.006 7.270 1.261 236 HB3 GLU 31 HB1 GLU 31 -7.651 5.634 1.140 237 HG2 GLU 31 HG2 GLU 31 -9.664 6.433 0.066 238 HG3 GLU 31 HG1 GLU 31 -9.203 8.112 0.350 239 H GLU 32 HN GLU 32 -10.615 8.419 2.280 240 HA GLU 32 HA GLU 32 -9.382 10.957 2.334 241 HB2 GLU 32 HB2 GLU 32 -12.121 10.601 3.530 242 HB3 GLU 32 HB1 GLU 32 -11.542 11.845 2.421 243 HG2 GLU 32 HG2 GLU 32 -11.283 9.937 0.702 244 HG3 GLU 32 HG1 GLU 32 -12.271 8.979 1.805 245 H GLY 33 HN GLY 33 -10.566 8.939 4.949 246 HA2 GLY 33 HA2 GLY 33 -8.847 10.336 6.869 247 HA3 GLY 33 HA1 GLY 33 -10.578 10.502 7.185 248 H SER 34 HN SER 34 -8.795 9.099 8.949 249 HA SER 34 HA SER 34 -9.866 6.304 8.654 250 HB2 SER 34 HB2 SER 34 -7.405 6.435 8.217 251 HB3 SER 34 HB1 SER 34 -7.195 7.063 9.846 252 HG SER 34 HG SER 34 -7.267 5.080 10.490 253 H ARG 35 HN ARG 35 -9.373 5.189 10.885 254 HA ARG 35 HA ARG 35 -9.762 6.818 13.258 255 HB2 ARG 35 HB2 ARG 35 -12.041 5.572 13.665 256 HB3 ARG 35 HB1 ARG 35 -12.029 7.019 12.660 257 HG2 ARG 35 HG2 ARG 35 -11.798 5.507 10.640 258 HG3 ARG 35 HG1 ARG 35 -12.034 4.137 11.721 259 HD2 ARG 35 HD2 ARG 35 -14.155 5.762 12.394 260 HD3 ARG 35 HD1 ARG 35 -14.005 6.066 10.667 261 HE ARG 35 HE ARG 35 -15.205 3.784 11.782 262 HH11 ARG 35 HH11 ARG 35 -15.313 1.781 10.779 263 HH12 ARG 35 HH12 ARG 35 -14.224 1.410 9.483 264 HH21 ARG 35 HH21 ARG 35 -12.639 4.482 9.574 265 HH22 ARG 35 HH22 ARG 35 -12.713 2.934 8.809 266 H ARG 36 HN ARG 36 -10.415 3.614 11.873 267 HA ARG 36 HA ARG 36 -9.221 2.317 14.270 268 HB2 ARG 36 HB2 ARG 36 -10.789 1.027 12.028 269 HB3 ARG 36 HB1 ARG 36 -10.388 0.329 13.591 270 HG2 ARG 36 HG2 ARG 36 -11.721 2.652 14.327 271 HG3 ARG 36 HG1 ARG 36 -12.584 2.184 12.867 272 HD2 ARG 36 HD2 ARG 36 -13.708 1.100 14.676 273 HD3 ARG 36 HD1 ARG 36 -12.768 -0.151 13.866 274 HE ARG 36 HE ARG 36 -11.071 0.784 15.854 275 HH11 ARG 36 HH11 ARG 36 -11.019 -0.114 17.928 276 HH12 ARG 36 HH12 ARG 36 -12.414 -0.946 18.532 277 HH21 ARG 36 HH21 ARG 36 -14.289 -0.433 15.661 278 HH22 ARG 36 HH22 ARG 36 -14.265 -1.126 17.248 279 H SER 37 HN SER 37 -9.285 2.181 10.766 280 HA SER 37 HA SER 37 -7.413 0.276 10.133 281 HB2 SER 37 HB2 SER 37 -8.223 1.322 8.232 282 HB3 SER 37 HB1 SER 37 -8.064 2.929 8.927 283 HG SER 37 HG SER 37 -6.299 1.470 7.451 284 H ARG 38 HN ARG 38 -6.604 3.628 11.104 285 HA ARG 38 HA ARG 38 -3.770 3.292 10.910 286 HB2 ARG 38 HB2 ARG 38 -3.603 5.321 12.227 287 HB3 ARG 38 HB1 ARG 38 -4.962 5.497 11.116 288 HG2 ARG 38 HG2 ARG 38 -6.444 4.636 13.009 289 HG3 ARG 38 HG1 ARG 38 -5.055 4.859 14.070 290 HD2 ARG 38 HD2 ARG 38 -5.181 7.291 12.710 291 HD3 ARG 38 HD1 ARG 38 -6.879 6.887 12.938 292 HE ARG 38 HE ARG 38 -5.228 7.953 14.936 293 HH11 ARG 38 HH11 ARG 38 -5.519 7.628 17.139 294 HH12 ARG 38 HH12 ARG 38 -6.453 6.277 17.690 295 HH21 ARG 38 HH21 ARG 38 -7.149 5.112 14.508 296 HH22 ARG 38 HH22 ARG 38 -7.369 4.856 16.203 297 H GLY 39 HN GLY 39 -6.054 2.191 13.240 298 HA2 GLY 39 HA2 GLY 39 -4.088 1.846 15.385 299 HA3 GLY 39 HA1 GLY 39 -5.756 1.275 15.406 300 H ILE 40 HN ILE 40 -5.544 -0.145 12.848 301 HA ILE 40 HA ILE 40 -4.057 -2.521 13.841 302 HB ILE 40 HB ILE 40 -6.596 -2.383 13.143 303 HG12 ILE 40 HG12 ILE 40 -6.047 -4.513 13.824 304 HG13 ILE 40 HG11 ILE 40 -6.346 -4.836 12.135 305 HG21 ILE 40 HG21 ILE 40 -5.345 -2.985 10.461 306 HG22 ILE 40 HG22 ILE 40 -6.128 -1.476 10.900 307 HG23 ILE 40 HG23 ILE 40 -7.060 -2.965 10.848 308 HD11 ILE 40 HD11 ILE 40 -3.785 -4.477 11.824 309 HD12 ILE 40 HD12 ILE 40 -4.331 -5.968 12.559 310 HD13 ILE 40 HD13 ILE 40 -3.687 -4.686 13.569 311 H VAL 41 HN VAL 41 -4.542 -0.770 10.722 312 HA VAL 41 HA VAL 41 -2.487 -2.244 9.364 313 HB VAL 41 HB VAL 41 -3.329 0.561 8.631 314 HG11 VAL 41 HG11 VAL 41 -2.526 -1.872 7.003 315 HG12 VAL 41 HG12 VAL 41 -1.485 -0.495 7.360 316 HG13 VAL 41 HG13 VAL 41 -2.916 -0.280 6.353 317 HG21 VAL 41 HG21 VAL 41 -5.431 -0.477 8.928 318 HG22 VAL 41 HG22 VAL 41 -4.840 -2.045 8.379 319 HG23 VAL 41 HG23 VAL 41 -5.090 -0.740 7.220 320 H GLU 42 HN GLU 42 -2.337 1.219 10.317 321 HA GLU 42 HA GLU 42 0.429 1.462 9.831 322 HB2 GLU 42 HB2 GLU 42 -1.302 2.949 11.815 323 HB3 GLU 42 HB1 GLU 42 0.341 3.420 11.392 324 HG2 GLU 42 HG2 GLU 42 -0.305 3.663 9.041 325 HG3 GLU 42 HG1 GLU 42 -1.943 3.129 9.419 326 H GLN 43 HN GLN 43 -1.112 0.896 13.037 327 HA GLN 43 HA GLN 43 1.166 0.710 14.593 328 HB2 GLN 43 HB2 GLN 43 -1.417 0.209 15.085 329 HB3 GLN 43 HB1 GLN 43 -0.869 -1.462 14.990 330 HG2 GLN 43 HG2 GLN 43 0.092 0.708 16.872 331 HG3 GLN 43 HG1 GLN 43 -0.677 -0.821 17.291 332 HE21 GLN 43 HE21 GLN 43 0.636 -2.771 17.205 333 HE22 GLN 43 HE22 GLN 43 2.325 -2.702 17.062 334 H CYS 44 HN CYS 44 -0.187 -2.011 12.672 335 HA CYS 44 HA CYS 44 2.120 -3.686 13.273 336 HB2 CYS 44 HB2 CYS 44 -0.242 -3.988 11.395 337 HB3 CYS 44 HB1 CYS 44 1.003 -5.212 11.588 338 H CYS 45 HN CYS 45 0.898 -2.101 10.335 339 HA CYS 45 HA CYS 45 3.086 -2.794 8.652 340 HB2 CYS 45 HB2 CYS 45 0.950 -1.901 7.802 341 HB3 CYS 45 HB1 CYS 45 1.294 -0.351 8.568 342 H ARG 46 HN ARG 46 2.546 0.279 10.440 343 HA ARG 46 HA ARG 46 5.156 1.291 9.741 344 HB2 ARG 46 HB2 ARG 46 3.424 2.857 10.397 345 HB3 ARG 46 HB1 ARG 46 3.244 2.079 11.957 346 HG2 ARG 46 HG2 ARG 46 4.584 4.200 12.038 347 HG3 ARG 46 HG1 ARG 46 5.437 2.795 12.665 348 HD2 ARG 46 HD2 ARG 46 6.918 2.733 10.873 349 HD3 ARG 46 HD1 ARG 46 5.769 3.478 9.761 350 HE ARG 46 HE ARG 46 6.286 5.498 11.556 351 HH11 ARG 46 HH11 ARG 46 7.967 6.987 11.254 352 HH12 ARG 46 HH12 ARG 46 9.354 6.527 10.324 353 HH21 ARG 46 HH21 ARG 46 8.184 3.329 9.666 354 HH22 ARG 46 HH22 ARG 46 9.478 4.456 9.427 355 H SER 47 HN SER 47 3.900 -0.475 12.551 356 HA SER 47 HA SER 47 6.757 -0.834 13.438 357 HB2 SER 47 HB2 SER 47 4.448 -0.814 15.381 358 HB3 SER 47 HB1 SER 47 6.162 -0.544 15.692 359 HG SER 47 HG SER 47 4.271 1.240 15.166 360 H ILE 48 HN ILE 48 7.297 -2.934 14.107 361 HA ILE 48 HA ILE 48 5.644 -5.067 13.081 362 HB ILE 48 HB ILE 48 7.922 -5.327 15.062 363 HG12 ILE 48 HG12 ILE 48 8.028 -5.115 12.034 364 HG13 ILE 48 HG11 ILE 48 8.605 -3.892 13.167 365 HG21 ILE 48 HG21 ILE 48 7.128 -7.181 12.810 366 HG22 ILE 48 HG22 ILE 48 6.416 -7.313 14.419 367 HG23 ILE 48 HG23 ILE 48 8.152 -7.528 14.202 368 HD11 ILE 48 HD11 ILE 48 10.522 -5.178 12.484 369 HD12 ILE 48 HD12 ILE 48 9.681 -6.697 12.792 370 HD13 ILE 48 HD13 ILE 48 10.141 -5.655 14.139 371 H CYS 49 HN CYS 49 3.644 -5.167 14.102 372 HA CYS 49 HA CYS 49 3.445 -5.016 17.027 373 HB2 CYS 49 HB2 CYS 49 1.048 -5.269 16.668 374 HB3 CYS 49 HB1 CYS 49 1.672 -4.113 15.500 375 H SER 50 HN SER 50 3.094 -6.769 18.404 376 HA SER 50 HA SER 50 3.990 -9.357 17.465 377 HB2 SER 50 HB2 SER 50 2.607 -8.718 20.082 378 HB3 SER 50 HB1 SER 50 3.633 -10.106 19.737 379 HG SER 50 HG SER 50 4.387 -7.812 20.691 380 H LEU 51 HN LEU 51 2.653 -11.357 17.747 381 HA LEU 51 HA LEU 51 0.259 -11.255 16.246 382 HB2 LEU 51 HB2 LEU 51 0.890 -13.361 18.329 383 HB3 LEU 51 HB1 LEU 51 -0.072 -13.552 16.865 384 HG LEU 51 HG LEU 51 2.895 -12.920 16.933 385 HD11 LEU 51 HD11 LEU 51 3.121 -15.227 16.032 386 HD12 LEU 51 HD12 LEU 51 1.390 -15.465 16.269 387 HD13 LEU 51 HD13 LEU 51 2.443 -15.207 17.660 388 HD21 LEU 51 HD21 LEU 51 2.034 -11.986 14.926 389 HD22 LEU 51 HD22 LEU 51 0.885 -13.306 14.706 390 HD23 LEU 51 HD23 LEU 51 2.606 -13.582 14.444 391 H TYR 52 HN TYR 52 0.812 -10.939 19.713 392 HA TYR 52 HA TYR 52 -1.738 -11.317 20.762 393 HB2 TYR 52 HB2 TYR 52 0.435 -10.526 21.939 394 HB3 TYR 52 HB1 TYR 52 -0.097 -8.899 21.534 395 HD1 TYR 52 HD1 TYR 52 -2.434 -8.185 22.252 396 HD2 TYR 52 HD2 TYR 52 -0.482 -11.674 23.796 397 HE1 TYR 52 HE1 TYR 52 -3.990 -8.191 24.187 398 HE2 TYR 52 HE2 TYR 52 -2.033 -11.689 25.735 399 HH TYR 52 HH TYR 52 -3.473 -10.182 26.946 400 H GLN 53 HN GLN 53 -0.503 -8.205 19.468 401 HA GLN 53 HA GLN 53 -2.990 -6.826 19.592 402 HB2 GLN 53 HB2 GLN 53 -0.806 -6.423 17.526 403 HB3 GLN 53 HB1 GLN 53 -1.999 -5.235 18.054 404 HG2 GLN 53 HG2 GLN 53 -1.063 -5.450 20.385 405 HG3 GLN 53 HG1 GLN 53 0.228 -6.444 19.711 406 HE21 GLN 53 HE21 GLN 53 -1.352 -3.386 18.611 407 HE22 GLN 53 HE22 GLN 53 0.103 -2.536 18.412 408 H LEU 54 HN LEU 54 -1.496 -8.553 16.820 409 HA LEU 54 HA LEU 54 -3.631 -8.204 15.015 410 HB2 LEU 54 HB2 LEU 54 -1.805 -10.568 15.323 411 HB3 LEU 54 HB1 LEU 54 -2.819 -10.263 13.916 412 HG LEU 54 HG LEU 54 -0.697 -8.382 14.964 413 HD11 LEU 54 HD11 LEU 54 0.699 -9.134 13.174 414 HD12 LEU 54 HD12 LEU 54 -0.622 -10.024 12.418 415 HD13 LEU 54 HD13 LEU 54 0.080 -10.596 13.933 416 HD21 LEU 54 HD21 LEU 54 -1.116 -7.496 12.496 417 HD22 LEU 54 HD22 LEU 54 -2.161 -6.981 13.811 418 HD23 LEU 54 HD23 LEU 54 -2.691 -8.256 12.714 419 H GLU 55 HN GLU 55 -3.178 -10.458 17.622 420 HA GLU 55 HA GLU 55 -5.511 -12.056 17.041 421 HB2 GLU 55 HB2 GLU 55 -3.407 -12.585 18.540 422 HB3 GLU 55 HB1 GLU 55 -4.360 -11.813 19.799 423 HG2 GLU 55 HG2 GLU 55 -5.490 -14.057 18.107 424 HG3 GLU 55 HG1 GLU 55 -4.577 -14.365 19.577 425 H ASN 56 HN ASN 56 -5.113 -8.941 18.193 426 HA ASN 56 HA ASN 56 -7.349 -8.914 20.074 427 HB2 ASN 56 HB2 ASN 56 -5.281 -7.362 20.015 428 HB3 ASN 56 HB1 ASN 56 -6.140 -6.488 18.749 429 HD21 ASN 56 HD21 ASN 56 -5.508 -5.486 21.467 430 HD22 ASN 56 HD22 ASN 56 -6.995 -5.141 22.205 431 H TYR 57 HN TYR 57 -7.015 -8.503 16.635 432 HA TYR 57 HA TYR 57 -9.710 -7.250 16.428 433 HB2 TYR 57 HB2 TYR 57 -7.852 -7.877 14.139 434 HB3 TYR 57 HB1 TYR 57 -9.072 -6.617 14.245 435 HD1 TYR 57 HD1 TYR 57 -8.692 -4.626 15.781 436 HD2 TYR 57 HD2 TYR 57 -5.690 -7.565 14.998 437 HE1 TYR 57 HE1 TYR 57 -6.971 -3.085 16.656 438 HE2 TYR 57 HE2 TYR 57 -3.944 -6.033 15.883 439 HH TYR 57 HH TYR 57 -4.083 -3.942 17.670 440 H CYS 58 HN CYS 58 -8.279 -10.299 16.371 441 HA CYS 58 HA CYS 58 -9.722 -11.626 14.326 442 HB2 CYS 58 HB2 CYS 58 -8.720 -12.649 16.990 443 HB3 CYS 58 HB1 CYS 58 -9.302 -13.672 15.682 444 H GLY 59 HN GLY 59 -11.867 -10.928 14.282 445 HA2 GLY 59 HA2 GLY 59 -14.150 -11.297 14.796 446 HA3 GLY 59 HA1 GLY 59 -13.643 -12.314 16.146 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 3.889 -17.122 13.481 2 H2 PHE 1 HT2 PHE 1 2.778 -17.191 12.197 3 H3 PHE 1 HT3 PHE 1 3.108 -15.710 12.960 4 HA PHE 1 HA PHE 1 4.850 -17.283 11.171 5 HB2 PHE 1 HB2 PHE 1 5.003 -14.613 10.455 6 HB3 PHE 1 HB1 PHE 1 3.918 -15.786 9.718 7 HD1 PHE 1 HD1 PHE 1 1.653 -16.209 11.044 8 HD2 PHE 1 HD2 PHE 1 4.071 -12.681 11.377 9 HE1 PHE 1 HE1 PHE 1 -0.312 -14.946 11.871 10 HE2 PHE 1 HE2 PHE 1 2.105 -11.401 12.198 11 HZ PHE 1 HZ PHE 1 -0.092 -12.550 12.451 12 H VAL 2 HN VAL 2 6.987 -15.944 10.811 13 HA VAL 2 HA VAL 2 8.490 -16.069 13.208 14 HB VAL 2 HB VAL 2 10.177 -14.647 11.867 15 HG11 VAL 2 HG11 VAL 2 10.533 -16.540 10.228 16 HG12 VAL 2 HG12 VAL 2 9.028 -17.241 10.822 17 HG13 VAL 2 HG13 VAL 2 10.396 -17.033 11.916 18 HG21 VAL 2 HG21 VAL 2 8.251 -13.662 10.460 19 HG22 VAL 2 HG22 VAL 2 8.245 -15.204 9.606 20 HG23 VAL 2 HG23 VAL 2 9.688 -14.190 9.586 21 H ASN 3 HN ASN 3 9.318 -13.080 11.960 22 HA ASN 3 HA ASN 3 7.498 -11.460 13.589 23 HB2 ASN 3 HB2 ASN 3 9.257 -12.523 15.162 24 HB3 ASN 3 HB1 ASN 3 10.414 -11.445 14.384 25 HD21 ASN 3 HD21 ASN 3 10.716 -9.646 15.699 26 HD22 ASN 3 HD22 ASN 3 9.482 -8.823 16.525 27 H GLN 4 HN GLN 4 7.162 -10.086 11.838 28 HA GLN 4 HA GLN 4 9.447 -8.348 11.084 29 HB2 GLN 4 HB2 GLN 4 7.694 -9.463 8.893 30 HB3 GLN 4 HB1 GLN 4 9.277 -8.698 8.761 31 HG2 GLN 4 HG2 GLN 4 10.279 -10.651 9.943 32 HG3 GLN 4 HG1 GLN 4 8.694 -11.421 9.957 33 HE21 GLN 4 HE21 GLN 4 8.895 -13.074 8.420 34 HE22 GLN 4 HE22 GLN 4 9.431 -12.838 6.830 35 H HIS 5 HN HIS 5 8.450 -6.580 9.473 36 HA HIS 5 HA HIS 5 6.131 -5.463 10.908 37 HB2 HIS 5 HB2 HIS 5 6.737 -3.748 8.736 38 HB3 HIS 5 HB1 HIS 5 7.258 -3.542 10.400 39 HD2 HIS 5 HD2 HIS 5 9.720 -5.511 10.737 40 HE1 HIS 5 HE1 HIS 5 11.147 -4.043 7.049 41 HE2 HIS 5 HE2 HIS 5 11.782 -5.290 9.169 42 H LEU 6 HN LEU 6 4.079 -5.706 10.219 43 HA LEU 6 HA LEU 6 3.576 -7.039 7.614 44 HB2 LEU 6 HB2 LEU 6 2.128 -6.641 10.187 45 HB3 LEU 6 HB1 LEU 6 1.130 -6.753 8.749 46 HG LEU 6 HG LEU 6 1.918 -8.950 8.249 47 HD11 LEU 6 HD11 LEU 6 4.151 -8.223 10.115 48 HD12 LEU 6 HD12 LEU 6 4.220 -9.024 8.547 49 HD13 LEU 6 HD13 LEU 6 3.703 -9.922 9.967 50 HD21 LEU 6 HD21 LEU 6 1.568 -8.649 11.235 51 HD22 LEU 6 HD22 LEU 6 1.472 -10.171 10.370 52 HD23 LEU 6 HD23 LEU 6 0.287 -8.912 10.061 53 H CYS 7 HN CYS 7 3.231 -5.725 5.868 54 HA CYS 7 HA CYS 7 1.586 -3.254 6.268 55 HB2 CYS 7 HB2 CYS 7 3.954 -3.551 4.405 56 HB3 CYS 7 HB1 CYS 7 2.972 -2.103 4.627 57 H GLY 8 HN GLY 8 -0.200 -3.295 5.090 58 HA2 GLY 8 HA2 GLY 8 -1.730 -3.802 3.406 59 HA3 GLY 8 HA1 GLY 8 -0.343 -4.002 2.336 60 H SER 9 HN SER 9 -0.810 -5.882 1.301 61 HA SER 9 HA SER 9 -2.270 -8.074 2.072 62 HB2 SER 9 HB2 SER 9 0.377 -8.427 0.665 63 HB3 SER 9 HB1 SER 9 -1.102 -9.357 0.451 64 HG SER 9 HG SER 9 -1.397 -7.980 -1.124 65 H HIS 10 HN HIS 10 1.064 -7.380 3.087 66 HA HIS 10 HA HIS 10 1.618 -9.893 4.284 67 HB2 HIS 10 HB2 HIS 10 3.173 -7.840 3.961 68 HB3 HIS 10 HB1 HIS 10 2.509 -7.282 5.491 69 HD2 HIS 10 HD2 HIS 10 5.554 -8.006 5.890 70 HE1 HIS 10 HE1 HIS 10 4.354 -11.876 7.081 71 HE2 HIS 10 HE2 HIS 10 6.266 -10.202 7.086 72 H LEU 11 HN LEU 11 -0.205 -7.103 5.436 73 HA LEU 11 HA LEU 11 -0.553 -8.120 8.107 74 HB2 LEU 11 HB2 LEU 11 -0.801 -5.701 7.514 75 HB3 LEU 11 HB1 LEU 11 -2.219 -6.109 6.565 76 HG LEU 11 HG LEU 11 -3.475 -6.654 8.469 77 HD11 LEU 11 HD11 LEU 11 -2.093 -8.011 9.834 78 HD12 LEU 11 HD12 LEU 11 -2.355 -6.568 10.811 79 HD13 LEU 11 HD13 LEU 11 -0.844 -6.771 9.940 80 HD21 LEU 11 HD21 LEU 11 -3.718 -4.576 9.348 81 HD22 LEU 11 HD22 LEU 11 -2.520 -4.127 8.144 82 HD23 LEU 11 HD23 LEU 11 -2.024 -4.436 9.808 83 H VAL 12 HN VAL 12 -2.653 -7.999 5.259 84 HA VAL 12 HA VAL 12 -4.800 -9.506 6.360 85 HB VAL 12 HB VAL 12 -3.741 -9.132 3.553 86 HG11 VAL 12 HG11 VAL 12 -4.845 -11.068 2.996 87 HG12 VAL 12 HG12 VAL 12 -6.295 -10.079 3.139 88 HG13 VAL 12 HG13 VAL 12 -5.783 -11.092 4.483 89 HG21 VAL 12 HG21 VAL 12 -6.226 -8.167 4.986 90 HG22 VAL 12 HG22 VAL 12 -5.766 -7.755 3.333 91 HG23 VAL 12 HG23 VAL 12 -4.771 -7.216 4.686 92 H GLU 13 HN GLU 13 -2.208 -10.603 4.191 93 HA GLU 13 HA GLU 13 -2.624 -13.336 4.267 94 HB2 GLU 13 HB2 GLU 13 0.026 -11.868 4.379 95 HB3 GLU 13 HB1 GLU 13 -0.142 -13.584 4.004 96 HG2 GLU 13 HG2 GLU 13 -1.297 -13.158 1.989 97 HG3 GLU 13 HG1 GLU 13 -1.680 -11.502 2.458 98 H ALA 14 HN ALA 14 -1.336 -11.310 6.856 99 HA ALA 14 HA ALA 14 -0.578 -13.667 8.464 100 HB1 ALA 14 HB1 ALA 14 0.846 -11.878 8.917 101 HB2 ALA 14 HB2 ALA 14 -0.332 -11.677 10.215 102 HB3 ALA 14 HB3 ALA 14 -0.440 -10.685 8.762 103 H LEU 15 HN LEU 15 -2.855 -10.925 9.016 104 HA LEU 15 HA LEU 15 -4.224 -11.951 11.204 105 HB2 LEU 15 HB2 LEU 15 -5.229 -10.373 8.841 106 HB3 LEU 15 HB1 LEU 15 -6.300 -10.800 10.168 107 HG LEU 15 HG LEU 15 -3.667 -9.483 10.800 108 HD11 LEU 15 HD11 LEU 15 -6.152 -7.847 10.282 109 HD12 LEU 15 HD12 LEU 15 -5.003 -8.161 8.993 110 HD13 LEU 15 HD13 LEU 15 -4.489 -7.302 10.440 111 HD21 LEU 15 HD21 LEU 15 -6.430 -9.356 12.061 112 HD22 LEU 15 HD22 LEU 15 -4.964 -8.634 12.713 113 HD23 LEU 15 HD23 LEU 15 -5.113 -10.383 12.621 114 H TYR 16 HN TYR 16 -4.621 -12.840 7.811 115 HA TYR 16 HA TYR 16 -6.978 -14.352 7.965 116 HB2 TYR 16 HB2 TYR 16 -6.178 -14.147 5.794 117 HB3 TYR 16 HB1 TYR 16 -4.512 -14.401 6.279 118 HD1 TYR 16 HD1 TYR 16 -3.627 -16.287 5.209 119 HD2 TYR 16 HD2 TYR 16 -7.653 -16.421 6.704 120 HE1 TYR 16 HE1 TYR 16 -3.788 -18.668 4.556 121 HE2 TYR 16 HE2 TYR 16 -7.817 -18.806 6.041 122 HH TYR 16 HH TYR 16 -6.833 -20.437 4.791 123 H LEU 17 HN LEU 17 -3.660 -15.293 8.842 124 HA LEU 17 HA LEU 17 -4.449 -18.007 9.583 125 HB2 LEU 17 HB2 LEU 17 -1.934 -16.383 10.075 126 HB3 LEU 17 HB1 LEU 17 -2.140 -18.037 10.634 127 HG LEU 17 HG LEU 17 -2.747 -18.536 8.112 128 HD11 LEU 17 HD11 LEU 17 -2.782 -16.192 7.377 129 HD12 LEU 17 HD12 LEU 17 -1.477 -17.055 6.571 130 HD13 LEU 17 HD13 LEU 17 -1.121 -15.986 7.926 131 HD21 LEU 17 HD21 LEU 17 0.089 -17.895 8.985 132 HD22 LEU 17 HD22 LEU 17 -0.358 -18.945 7.641 133 HD23 LEU 17 HD23 LEU 17 -0.758 -19.411 9.294 134 H VAL 18 HN VAL 18 -3.439 -15.099 11.355 135 HA VAL 18 HA VAL 18 -3.724 -15.999 13.989 136 HB VAL 18 HB VAL 18 -4.651 -13.299 12.982 137 HG11 VAL 18 HG11 VAL 18 -3.365 -14.093 15.592 138 HG12 VAL 18 HG12 VAL 18 -5.100 -13.872 15.363 139 HG13 VAL 18 HG13 VAL 18 -4.002 -12.506 15.164 140 HG21 VAL 18 HG21 VAL 18 -1.856 -14.303 13.598 141 HG22 VAL 18 HG22 VAL 18 -2.268 -12.601 13.390 142 HG23 VAL 18 HG23 VAL 18 -2.448 -13.723 12.042 143 H CYS 19 HN CYS 19 -6.247 -14.469 11.987 144 HA CYS 19 HA CYS 19 -8.356 -15.115 13.895 145 HB2 CYS 19 HB2 CYS 19 -8.737 -14.237 11.029 146 HB3 CYS 19 HB1 CYS 19 -9.765 -13.906 12.428 147 H GLY 20 HN GLY 20 -6.935 -16.662 11.115 148 HA2 GLY 20 HA2 GLY 20 -7.506 -18.652 10.000 149 HA3 GLY 20 HA1 GLY 20 -8.212 -19.143 11.543 150 H GLU 21 HN GLU 21 -10.376 -19.518 11.483 151 HA GLU 21 HA GLU 21 -11.927 -18.625 9.145 152 HB2 GLU 21 HB2 GLU 21 -12.763 -20.236 11.577 153 HB3 GLU 21 HB1 GLU 21 -13.741 -19.981 10.132 154 HG2 GLU 21 HG2 GLU 21 -12.110 -21.142 8.756 155 HG3 GLU 21 HG1 GLU 21 -11.004 -21.283 10.123 156 H ARG 22 HN ARG 22 -11.452 -17.660 12.456 157 HA ARG 22 HA ARG 22 -13.870 -16.311 12.987 158 HB2 ARG 22 HB2 ARG 22 -11.052 -15.460 13.711 159 HB3 ARG 22 HB1 ARG 22 -12.518 -14.853 14.472 160 HG2 ARG 22 HG2 ARG 22 -11.711 -17.775 14.405 161 HG3 ARG 22 HG1 ARG 22 -11.399 -16.701 15.764 162 HD2 ARG 22 HD2 ARG 22 -14.027 -17.777 14.761 163 HD3 ARG 22 HD1 ARG 22 -13.399 -17.736 16.406 164 HE ARG 22 HE ARG 22 -13.703 -15.068 15.803 165 HH11 ARG 22 HH11 ARG 22 -15.623 -13.936 16.173 166 HH12 ARG 22 HH12 ARG 22 -17.126 -14.795 16.207 167 HH21 ARG 22 HH21 ARG 22 -15.678 -17.886 15.598 168 HH22 ARG 22 HH22 ARG 22 -17.158 -17.032 15.881 169 H GLY 23 HN GLY 23 -11.072 -15.286 11.071 170 HA2 GLY 23 HA2 GLY 23 -10.989 -13.663 9.363 171 HA3 GLY 23 HA1 GLY 23 -12.728 -13.448 9.549 172 H PHE 24 HN PHE 24 -11.026 -11.268 9.169 173 HA PHE 24 HA PHE 24 -11.384 -9.796 11.748 174 HB2 PHE 24 HB2 PHE 24 -9.228 -8.613 11.320 175 HB3 PHE 24 HB1 PHE 24 -9.010 -10.324 11.636 176 HD1 PHE 24 HD1 PHE 24 -8.976 -11.919 9.562 177 HD2 PHE 24 HD2 PHE 24 -8.320 -7.674 9.372 178 HE1 PHE 24 HE1 PHE 24 -7.862 -12.194 7.360 179 HE2 PHE 24 HE2 PHE 24 -7.201 -7.952 7.162 180 HZ PHE 24 HZ PHE 24 -6.995 -10.209 6.172 181 H PHE 25 HN PHE 25 -11.157 -7.334 11.212 182 HA PHE 25 HA PHE 25 -12.468 -6.816 8.569 183 HB2 PHE 25 HB2 PHE 25 -13.661 -5.062 9.604 184 HB3 PHE 25 HB1 PHE 25 -13.696 -6.364 10.795 185 HD1 PHE 25 HD1 PHE 25 -12.759 -2.980 10.172 186 HD2 PHE 25 HD2 PHE 25 -11.861 -6.372 12.617 187 HE1 PHE 25 HE1 PHE 25 -11.634 -1.488 11.804 188 HE2 PHE 25 HE2 PHE 25 -10.731 -4.893 14.250 189 HZ PHE 25 HZ PHE 25 -10.618 -2.450 13.851 190 H TYR 26 HN TYR 26 -11.126 -5.802 7.149 191 HA TYR 26 HA TYR 26 -8.635 -4.592 8.122 192 HB2 TYR 26 HB2 TYR 26 -9.036 -5.941 5.894 193 HB3 TYR 26 HB1 TYR 26 -9.587 -4.392 5.264 194 HD1 TYR 26 HD1 TYR 26 -6.759 -5.678 7.390 195 HD2 TYR 26 HD2 TYR 26 -7.956 -3.114 4.165 196 HE1 TYR 26 HE1 TYR 26 -4.404 -5.012 7.062 197 HE2 TYR 26 HE2 TYR 26 -5.590 -2.432 3.841 198 HH TYR 26 HH TYR 26 -3.502 -2.343 5.183 199 H THR 27 HN THR 27 -8.043 -2.363 7.528 200 HA THR 27 HA THR 27 -9.653 -0.393 8.528 201 HB THR 27 HB THR 27 -7.275 -0.141 7.728 202 HG1 THR 27 HG1 THR 27 -8.564 1.678 8.254 203 HG21 THR 27 HG21 THR 27 -6.767 0.179 5.454 204 HG22 THR 27 HG22 THR 27 -8.446 0.516 5.033 205 HG23 THR 27 HG23 THR 27 -7.947 -1.130 5.414 206 HA PRO 28 HA PRO 28 -13.186 0.062 5.857 207 HB2 PRO 28 HB2 PRO 28 -12.871 2.987 5.775 208 HB3 PRO 28 HB1 PRO 28 -14.171 2.032 6.501 209 HG2 PRO 28 HG2 PRO 28 -12.055 3.380 7.891 210 HG3 PRO 28 HG1 PRO 28 -13.268 2.299 8.594 211 HD2 PRO 28 HD2 PRO 28 -10.456 1.770 8.262 212 HD3 PRO 28 HD1 PRO 28 -11.691 0.661 8.885 213 H ARG 29 HN ARG 29 -12.704 -0.609 3.866 214 HA ARG 29 HA ARG 29 -10.538 0.421 2.254 215 HB2 ARG 29 HB2 ARG 29 -11.913 -0.999 0.469 216 HB3 ARG 29 HB1 ARG 29 -11.010 -1.802 1.750 217 HG2 ARG 29 HG2 ARG 29 -13.832 -0.993 2.384 218 HG3 ARG 29 HG1 ARG 29 -13.609 -2.333 1.286 219 HD2 ARG 29 HD2 ARG 29 -12.170 -2.223 3.944 220 HD3 ARG 29 HD1 ARG 29 -13.789 -2.897 3.802 221 HE ARG 29 HE ARG 29 -11.291 -4.171 3.094 222 HH11 ARG 29 HH11 ARG 29 -11.193 -5.974 1.774 223 HH12 ARG 29 HH12 ARG 29 -12.576 -6.425 0.835 224 HH21 ARG 29 HH21 ARG 29 -14.542 -3.813 1.976 225 HH22 ARG 29 HH22 ARG 29 -14.466 -5.205 0.948 226 H THR 30 HN THR 30 -12.301 2.436 3.090 227 HA THR 30 HA THR 30 -13.344 3.447 0.479 228 HB THR 30 HB THR 30 -15.312 4.271 1.500 229 HG1 THR 30 HG1 THR 30 -14.666 3.462 4.065 230 HG21 THR 30 HG21 THR 30 -15.180 1.754 1.232 231 HG22 THR 30 HG22 THR 30 -16.361 2.316 2.415 232 HG23 THR 30 HG23 THR 30 -14.813 1.666 2.955 233 H GLU 31 HN GLU 31 -12.394 5.350 -0.043 234 HA GLU 31 HA GLU 31 -10.611 6.686 1.815 235 HB2 GLU 31 HB2 GLU 31 -11.671 7.625 -0.871 236 HB3 GLU 31 HB1 GLU 31 -10.297 8.314 -0.006 237 HG2 GLU 31 HG2 GLU 31 -10.447 5.411 -0.860 238 HG3 GLU 31 HG1 GLU 31 -9.664 6.669 -1.817 239 H GLU 32 HN GLU 32 -13.104 6.580 3.005 240 HA GLU 32 HA GLU 32 -14.698 8.927 2.573 241 HB2 GLU 32 HB2 GLU 32 -14.406 7.133 4.995 242 HB3 GLU 32 HB1 GLU 32 -15.655 8.366 4.817 243 HG2 GLU 32 HG2 GLU 32 -15.300 6.296 2.652 244 HG3 GLU 32 HG1 GLU 32 -16.174 5.869 4.121 245 H GLY 33 HN GLY 33 -12.334 8.165 5.137 246 HA2 GLY 33 HA2 GLY 33 -10.725 10.282 5.315 247 HA3 GLY 33 HA1 GLY 33 -12.222 11.051 5.838 248 H SER 34 HN SER 34 -12.937 8.293 7.016 249 HA SER 34 HA SER 34 -12.411 8.842 9.703 250 HB2 SER 34 HB2 SER 34 -12.535 6.078 9.667 251 HB3 SER 34 HB1 SER 34 -13.929 7.142 9.641 252 HG SER 34 HG SER 34 -13.892 5.594 7.921 253 H ARG 35 HN ARG 35 -11.170 6.879 10.986 254 HA ARG 35 HA ARG 35 -8.324 6.977 10.013 255 HB2 ARG 35 HB2 ARG 35 -7.899 6.616 12.586 256 HB3 ARG 35 HB1 ARG 35 -8.305 8.225 11.996 257 HG2 ARG 35 HG2 ARG 35 -10.638 7.907 12.602 258 HG3 ARG 35 HG1 ARG 35 -10.338 6.256 13.096 259 HD2 ARG 35 HD2 ARG 35 -8.471 7.655 14.599 260 HD3 ARG 35 HD1 ARG 35 -9.832 8.771 14.569 261 HE ARG 35 HE ARG 35 -9.671 6.508 16.221 262 HH11 ARG 35 HH11 ARG 35 -11.441 5.370 17.001 263 HH12 ARG 35 HH12 ARG 35 -12.975 5.525 16.212 264 HH21 ARG 35 HH21 ARG 35 -11.828 7.744 13.820 265 HH22 ARG 35 HH22 ARG 35 -13.190 6.860 14.412 266 H ARG 36 HN ARG 36 -9.073 5.141 12.787 267 HA ARG 36 HA ARG 36 -9.013 2.872 13.261 268 HB2 ARG 36 HB2 ARG 36 -10.197 2.655 10.493 269 HB3 ARG 36 HB1 ARG 36 -10.210 1.391 11.713 270 HG2 ARG 36 HG2 ARG 36 -11.339 4.108 12.378 271 HG3 ARG 36 HG1 ARG 36 -12.305 2.973 11.447 272 HD2 ARG 36 HD2 ARG 36 -11.961 1.264 13.246 273 HD3 ARG 36 HD1 ARG 36 -11.120 2.490 14.195 274 HE ARG 36 HE ARG 36 -13.548 3.676 13.591 275 HH11 ARG 36 HH11 ARG 36 -15.367 3.472 14.916 276 HH12 ARG 36 HH12 ARG 36 -15.508 2.103 15.967 277 HH21 ARG 36 HH21 ARG 36 -12.491 0.703 14.982 278 HH22 ARG 36 HH22 ARG 36 -13.880 0.535 16.004 279 H SER 37 HN SER 37 -8.167 3.065 9.799 280 HA SER 37 HA SER 37 -6.427 0.947 9.609 281 HB2 SER 37 HB2 SER 37 -6.069 1.863 7.558 282 HB3 SER 37 HB1 SER 37 -6.983 3.267 8.089 283 HG SER 37 HG SER 37 -5.185 4.342 8.294 284 H ARG 38 HN ARG 38 -5.595 4.176 10.883 285 HA ARG 38 HA ARG 38 -2.828 3.696 11.256 286 HB2 ARG 38 HB2 ARG 38 -2.986 5.483 13.019 287 HB3 ARG 38 HB1 ARG 38 -3.710 5.935 11.476 288 HG2 ARG 38 HG2 ARG 38 -5.936 5.359 12.319 289 HG3 ARG 38 HG1 ARG 38 -5.239 4.826 13.849 290 HD2 ARG 38 HD2 ARG 38 -5.172 7.641 12.723 291 HD3 ARG 38 HD1 ARG 38 -6.099 7.090 14.119 292 HE ARG 38 HE ARG 38 -3.488 6.449 14.776 293 HH11 ARG 38 HH11 ARG 38 -2.124 7.877 15.879 294 HH12 ARG 38 HH12 ARG 38 -2.412 9.582 15.775 295 HH21 ARG 38 HH21 ARG 38 -5.173 9.259 13.704 296 HH22 ARG 38 HH22 ARG 38 -4.137 10.364 14.544 297 H GLY 39 HN GLY 39 -5.546 2.468 12.988 298 HA2 GLY 39 HA2 GLY 39 -4.032 1.832 15.415 299 HA3 GLY 39 HA1 GLY 39 -5.694 1.361 15.078 300 H ILE 40 HN ILE 40 -5.256 -0.004 12.601 301 HA ILE 40 HA ILE 40 -3.934 -2.447 13.661 302 HB ILE 40 HB ILE 40 -6.380 -2.195 12.722 303 HG12 ILE 40 HG12 ILE 40 -5.997 -4.369 13.384 304 HG13 ILE 40 HG11 ILE 40 -6.118 -4.630 11.660 305 HG21 ILE 40 HG21 ILE 40 -4.893 -2.763 10.151 306 HG22 ILE 40 HG22 ILE 40 -5.675 -1.240 10.564 307 HG23 ILE 40 HG23 ILE 40 -6.637 -2.700 10.373 308 HD11 ILE 40 HD11 ILE 40 -3.528 -4.375 11.639 309 HD12 ILE 40 HD12 ILE 40 -4.209 -5.858 12.271 310 HD13 ILE 40 HD13 ILE 40 -3.628 -4.628 13.379 311 H VAL 41 HN VAL 41 -4.020 -0.608 10.555 312 HA VAL 41 HA VAL 41 -1.907 -2.143 9.368 313 HB VAL 41 HB VAL 41 -2.566 0.726 8.684 314 HG11 VAL 41 HG11 VAL 41 -0.582 -0.465 7.632 315 HG12 VAL 41 HG12 VAL 41 -1.794 0.115 6.490 316 HG13 VAL 41 HG13 VAL 41 -1.735 -1.594 6.922 317 HG21 VAL 41 HG21 VAL 41 -4.061 -1.837 8.100 318 HG22 VAL 41 HG22 VAL 41 -4.168 -0.451 7.013 319 HG23 VAL 41 HG23 VAL 41 -4.697 -0.302 8.684 320 H GLU 42 HN GLU 42 -1.685 1.262 10.487 321 HA GLU 42 HA GLU 42 1.117 1.422 10.301 322 HB2 GLU 42 HB2 GLU 42 -0.852 2.845 12.086 323 HB3 GLU 42 HB1 GLU 42 0.867 3.217 12.127 324 HG2 GLU 42 HG2 GLU 42 -0.554 4.667 10.569 325 HG3 GLU 42 HG1 GLU 42 0.878 3.933 9.854 326 H GLN 43 HN GLN 43 -0.721 0.790 13.332 327 HA GLN 43 HA GLN 43 1.387 0.406 15.067 328 HB2 GLN 43 HB2 GLN 43 -1.256 0.007 15.297 329 HB3 GLN 43 HB1 GLN 43 -0.769 -1.680 15.187 330 HG2 GLN 43 HG2 GLN 43 0.067 0.375 17.246 331 HG3 GLN 43 HG1 GLN 43 -0.753 -1.161 17.516 332 HE21 GLN 43 HE21 GLN 43 0.548 -3.113 17.507 333 HE22 GLN 43 HE22 GLN 43 2.243 -3.064 17.508 334 H CYS 44 HN CYS 44 0.113 -2.135 12.875 335 HA CYS 44 HA CYS 44 2.266 -3.955 13.633 336 HB2 CYS 44 HB2 CYS 44 0.073 -4.072 11.540 337 HB3 CYS 44 HB1 CYS 44 1.232 -5.368 11.809 338 H CYS 45 HN CYS 45 1.387 -2.224 10.657 339 HA CYS 45 HA CYS 45 3.690 -2.958 9.152 340 HB2 CYS 45 HB2 CYS 45 1.673 -1.953 8.157 341 HB3 CYS 45 HB1 CYS 45 2.009 -0.443 8.998 342 H ARG 46 HN ARG 46 3.105 0.080 10.986 343 HA ARG 46 HA ARG 46 5.794 1.020 10.553 344 HB2 ARG 46 HB2 ARG 46 4.052 2.612 11.129 345 HB3 ARG 46 HB1 ARG 46 3.730 1.782 12.639 346 HG2 ARG 46 HG2 ARG 46 5.118 3.845 12.917 347 HG3 ARG 46 HG1 ARG 46 5.884 2.394 13.535 348 HD2 ARG 46 HD2 ARG 46 7.445 2.315 11.805 349 HD3 ARG 46 HD1 ARG 46 6.432 3.217 10.690 350 HE ARG 46 HE ARG 46 8.440 4.277 12.472 351 HH11 ARG 46 HH11 ARG 46 8.532 6.443 13.032 352 HH12 ARG 46 HH12 ARG 46 7.172 7.468 12.716 353 HH21 ARG 46 HH21 ARG 46 5.256 4.950 11.308 354 HH22 ARG 46 HH22 ARG 46 5.322 6.625 11.746 355 H SER 47 HN SER 47 4.241 -0.802 13.177 356 HA SER 47 HA SER 47 6.999 -1.320 14.268 357 HB2 SER 47 HB2 SER 47 4.490 -1.062 15.942 358 HB3 SER 47 HB1 SER 47 6.151 -1.196 16.513 359 HG SER 47 HG SER 47 4.824 0.960 15.293 360 H ILE 48 HN ILE 48 7.359 -3.441 14.992 361 HA ILE 48 HA ILE 48 5.729 -5.487 13.779 362 HB ILE 48 HB ILE 48 7.789 -5.842 15.973 363 HG12 ILE 48 HG12 ILE 48 8.209 -5.765 12.967 364 HG13 ILE 48 HG11 ILE 48 8.662 -4.469 14.073 365 HG21 ILE 48 HG21 ILE 48 8.072 -8.051 14.937 366 HG22 ILE 48 HG22 ILE 48 6.853 -7.653 13.727 367 HG23 ILE 48 HG23 ILE 48 6.395 -7.814 15.423 368 HD11 ILE 48 HD11 ILE 48 10.629 -5.818 13.680 369 HD12 ILE 48 HD12 ILE 48 9.743 -7.298 14.044 370 HD13 ILE 48 HD13 ILE 48 10.078 -6.134 15.326 371 H CYS 49 HN CYS 49 3.634 -5.527 14.581 372 HA CYS 49 HA CYS 49 3.139 -5.422 17.477 373 HB2 CYS 49 HB2 CYS 49 0.787 -5.539 16.870 374 HB3 CYS 49 HB1 CYS 49 1.583 -4.392 15.802 375 H SER 50 HN SER 50 2.604 -7.190 18.759 376 HA SER 50 HA SER 50 3.455 -9.798 17.842 377 HB2 SER 50 HB2 SER 50 1.816 -9.240 20.319 378 HB3 SER 50 HB1 SER 50 2.954 -10.556 20.047 379 HG SER 50 HG SER 50 4.565 -9.250 20.475 380 H LEU 51 HN LEU 51 2.036 -11.737 17.874 381 HA LEU 51 HA LEU 51 -0.211 -11.499 16.186 382 HB2 LEU 51 HB2 LEU 51 0.135 -13.673 18.267 383 HB3 LEU 51 HB1 LEU 51 -0.705 -13.791 16.721 384 HG LEU 51 HG LEU 51 2.271 -13.312 17.068 385 HD11 LEU 51 HD11 LEU 51 0.747 -15.750 16.107 386 HD12 LEU 51 HD12 LEU 51 1.542 -15.599 17.674 387 HD13 LEU 51 HD13 LEU 51 2.501 -15.595 16.194 388 HD21 LEU 51 HD21 LEU 51 2.162 -13.891 14.537 389 HD22 LEU 51 HD22 LEU 51 1.657 -12.276 15.027 390 HD23 LEU 51 HD23 LEU 51 0.445 -13.505 14.664 391 H TYR 52 HN TYR 52 0.034 -11.267 19.686 392 HA TYR 52 HA TYR 52 -2.626 -11.579 20.476 393 HB2 TYR 52 HB2 TYR 52 -0.514 -10.927 21.868 394 HB3 TYR 52 HB1 TYR 52 -0.986 -9.268 21.524 395 HD1 TYR 52 HD1 TYR 52 -3.336 -8.530 22.125 396 HD2 TYR 52 HD2 TYR 52 -1.618 -12.188 23.555 397 HE1 TYR 52 HE1 TYR 52 -5.040 -8.619 23.929 398 HE2 TYR 52 HE2 TYR 52 -3.317 -12.284 25.361 399 HH TYR 52 HH TYR 52 -4.774 -10.626 26.600 400 H GLN 53 HN GLN 53 -1.128 -8.492 19.422 401 HA GLN 53 HA GLN 53 -3.544 -6.990 19.366 402 HB2 GLN 53 HB2 GLN 53 -1.171 -6.646 17.511 403 HB3 GLN 53 HB1 GLN 53 -2.338 -5.410 17.982 404 HG2 GLN 53 HG2 GLN 53 -1.612 -5.713 20.363 405 HG3 GLN 53 HG1 GLN 53 -0.353 -6.809 19.794 406 HE21 GLN 53 HE21 GLN 53 -1.576 -3.563 18.768 407 HE22 GLN 53 HE22 GLN 53 -0.034 -2.865 18.642 408 H LEU 54 HN LEU 54 -1.886 -8.720 16.694 409 HA LEU 54 HA LEU 54 -3.825 -8.212 14.715 410 HB2 LEU 54 HB2 LEU 54 -2.146 -10.670 15.103 411 HB3 LEU 54 HB1 LEU 54 -3.011 -10.272 13.623 412 HG LEU 54 HG LEU 54 -0.910 -8.529 14.922 413 HD11 LEU 54 HD11 LEU 54 0.606 -9.294 13.232 414 HD12 LEU 54 HD12 LEU 54 -0.682 -10.110 12.346 415 HD13 LEU 54 HD13 LEU 54 -0.137 -10.744 13.899 416 HD21 LEU 54 HD21 LEU 54 -2.679 -8.239 12.507 417 HD22 LEU 54 HD22 LEU 54 -1.058 -7.552 12.458 418 HD23 LEU 54 HD23 LEU 54 -2.195 -7.026 13.691 419 H GLU 55 HN GLU 55 -3.705 -10.551 17.273 420 HA GLU 55 HA GLU 55 -6.050 -12.029 16.456 421 HB2 GLU 55 HB2 GLU 55 -4.143 -12.754 18.066 422 HB3 GLU 55 HB1 GLU 55 -5.053 -11.865 19.283 423 HG2 GLU 55 HG2 GLU 55 -7.086 -13.234 18.593 424 HG3 GLU 55 HG1 GLU 55 -5.977 -14.246 17.667 425 H ASN 56 HN ASN 56 -5.603 -8.961 17.726 426 HA ASN 56 HA ASN 56 -7.983 -8.870 19.417 427 HB2 ASN 56 HB2 ASN 56 -5.856 -7.411 19.576 428 HB3 ASN 56 HB1 ASN 56 -6.553 -6.480 18.251 429 HD21 ASN 56 HD21 ASN 56 -6.132 -5.615 21.086 430 HD22 ASN 56 HD22 ASN 56 -7.665 -5.179 21.664 431 H TYR 57 HN TYR 57 -7.331 -8.394 16.031 432 HA TYR 57 HA TYR 57 -9.944 -7.024 15.627 433 HB2 TYR 57 HB2 TYR 57 -7.928 -7.671 13.484 434 HB3 TYR 57 HB1 TYR 57 -9.097 -6.362 13.531 435 HD1 TYR 57 HD1 TYR 57 -8.748 -4.426 15.158 436 HD2 TYR 57 HD2 TYR 57 -5.827 -7.472 14.509 437 HE1 TYR 57 HE1 TYR 57 -7.034 -2.982 16.186 438 HE2 TYR 57 HE2 TYR 57 -4.087 -6.038 15.551 439 HH TYR 57 HH TYR 57 -3.843 -3.384 15.844 440 H CYS 58 HN CYS 58 -8.708 -10.154 15.658 441 HA CYS 58 HA CYS 58 -10.005 -11.335 13.418 442 HB2 CYS 58 HB2 CYS 58 -9.325 -12.511 16.121 443 HB3 CYS 58 HB1 CYS 58 -9.823 -13.447 14.718 444 H GLY 59 HN GLY 59 -12.098 -10.613 13.156 445 HA2 GLY 59 HA2 GLY 59 -14.016 -10.908 15.414 446 HA3 GLY 59 HA1 GLY 59 -14.343 -10.103 13.879 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 4.495 -15.049 15.132 2 H2 PHE 1 HT2 PHE 1 3.056 -14.959 14.234 3 H3 PHE 1 HT3 PHE 1 4.223 -13.732 14.098 4 HA PHE 1 HA PHE 1 4.508 -16.548 13.214 5 HB2 PHE 1 HB2 PHE 1 4.886 -14.296 11.302 6 HB3 PHE 1 HB1 PHE 1 4.037 -15.825 11.082 7 HD1 PHE 1 HD1 PHE 1 1.720 -16.102 12.082 8 HD2 PHE 1 HD2 PHE 1 3.723 -12.308 11.874 9 HE1 PHE 1 HE1 PHE 1 -0.444 -14.941 12.429 10 HE2 PHE 1 HE2 PHE 1 1.561 -11.142 12.217 11 HZ PHE 1 HZ PHE 1 -0.527 -12.464 12.499 12 H VAL 2 HN VAL 2 6.092 -13.432 12.526 13 HA VAL 2 HA VAL 2 8.620 -14.399 13.707 14 HB VAL 2 HB VAL 2 9.755 -13.695 11.433 15 HG11 VAL 2 HG11 VAL 2 9.739 -15.992 12.420 16 HG12 VAL 2 HG12 VAL 2 9.674 -15.996 10.658 17 HG13 VAL 2 HG13 VAL 2 8.211 -16.298 11.593 18 HG21 VAL 2 HG21 VAL 2 8.402 -14.019 9.476 19 HG22 VAL 2 HG22 VAL 2 7.520 -12.906 10.522 20 HG23 VAL 2 HG23 VAL 2 7.044 -14.602 10.438 21 H ASN 3 HN ASN 3 10.303 -12.459 12.685 22 HA ASN 3 HA ASN 3 9.096 -9.987 13.840 23 HB2 ASN 3 HB2 ASN 3 11.999 -10.337 13.092 24 HB3 ASN 3 HB1 ASN 3 11.289 -9.277 14.311 25 HD21 ASN 3 HD21 ASN 3 10.042 -10.583 16.120 26 HD22 ASN 3 HD22 ASN 3 10.809 -11.993 16.673 27 H GLN 4 HN GLN 4 7.908 -9.227 12.041 28 HA GLN 4 HA GLN 4 9.484 -7.788 10.059 29 HB2 GLN 4 HB2 GLN 4 8.548 -8.894 8.082 30 HB3 GLN 4 HB1 GLN 4 9.423 -10.067 9.066 31 HG2 GLN 4 HG2 GLN 4 7.186 -10.618 10.164 32 HG3 GLN 4 HG1 GLN 4 6.431 -9.673 8.881 33 HE21 GLN 4 HE21 GLN 4 9.314 -11.775 8.532 34 HE22 GLN 4 HE22 GLN 4 8.588 -12.853 7.443 35 H HIS 5 HN HIS 5 8.106 -6.328 8.798 36 HA HIS 5 HA HIS 5 5.720 -5.541 10.307 37 HB2 HIS 5 HB2 HIS 5 6.747 -4.310 7.745 38 HB3 HIS 5 HB1 HIS 5 5.762 -3.557 8.988 39 HD2 HIS 5 HD2 HIS 5 7.305 -3.540 11.628 40 HE1 HIS 5 HE1 HIS 5 10.901 -2.922 9.515 41 HE2 HIS 5 HE2 HIS 5 9.796 -2.814 11.798 42 H LEU 6 HN LEU 6 3.622 -5.492 9.470 43 HA LEU 6 HA LEU 6 3.113 -7.303 7.133 44 HB2 LEU 6 HB2 LEU 6 1.738 -6.710 9.708 45 HB3 LEU 6 HB1 LEU 6 0.689 -6.951 8.325 46 HG LEU 6 HG LEU 6 1.496 -9.171 7.974 47 HD11 LEU 6 HD11 LEU 6 3.341 -9.972 9.720 48 HD12 LEU 6 HD12 LEU 6 3.773 -8.264 9.698 49 HD13 LEU 6 HD13 LEU 6 3.802 -9.203 8.206 50 HD21 LEU 6 HD21 LEU 6 1.231 -8.639 10.938 51 HD22 LEU 6 HD22 LEU 6 1.122 -10.222 10.189 52 HD23 LEU 6 HD23 LEU 6 -0.084 -8.998 9.828 53 H CYS 7 HN CYS 7 2.670 -6.160 5.274 54 HA CYS 7 HA CYS 7 0.974 -3.703 5.515 55 HB2 CYS 7 HB2 CYS 7 3.288 -4.098 3.605 56 HB3 CYS 7 HB1 CYS 7 2.282 -2.656 3.754 57 H GLY 8 HN GLY 8 -0.837 -3.870 4.396 58 HA2 GLY 8 HA2 GLY 8 -2.404 -4.546 2.813 59 HA3 GLY 8 HA1 GLY 8 -1.047 -4.796 1.716 60 H SER 9 HN SER 9 -1.491 -6.761 0.847 61 HA SER 9 HA SER 9 -2.865 -8.924 1.817 62 HB2 SER 9 HB2 SER 9 -0.240 -9.338 0.388 63 HB3 SER 9 HB1 SER 9 -1.722 -10.281 0.252 64 HG SER 9 HG SER 9 -2.697 -8.458 -0.711 65 H HIS 10 HN HIS 10 0.447 -8.042 2.739 66 HA HIS 10 HA HIS 10 1.086 -10.462 4.102 67 HB2 HIS 10 HB2 HIS 10 2.603 -8.432 3.552 68 HB3 HIS 10 HB1 HIS 10 1.981 -7.749 5.047 69 HD2 HIS 10 HD2 HIS 10 5.032 -8.386 5.446 70 HE1 HIS 10 HE1 HIS 10 3.942 -12.179 6.949 71 HE2 HIS 10 HE2 HIS 10 5.818 -10.472 6.783 72 H LEU 11 HN LEU 11 -0.737 -7.602 5.073 73 HA LEU 11 HA LEU 11 -0.978 -8.387 7.836 74 HB2 LEU 11 HB2 LEU 11 -1.278 -6.031 7.045 75 HB3 LEU 11 HB1 LEU 11 -2.717 -6.535 6.177 76 HG LEU 11 HG LEU 11 -3.915 -6.919 8.155 77 HD11 LEU 11 HD11 LEU 11 -1.246 -6.889 9.559 78 HD12 LEU 11 HD12 LEU 11 -2.479 -8.149 9.586 79 HD13 LEU 11 HD13 LEU 11 -2.740 -6.636 10.449 80 HD21 LEU 11 HD21 LEU 11 -3.047 -4.432 7.581 81 HD22 LEU 11 HD22 LEU 11 -2.405 -4.579 9.215 82 HD23 LEU 11 HD23 LEU 11 -4.131 -4.779 8.923 83 H VAL 12 HN VAL 12 -3.119 -8.577 5.038 84 HA VAL 12 HA VAL 12 -5.239 -9.974 6.323 85 HB VAL 12 HB VAL 12 -4.234 -9.843 3.476 86 HG11 VAL 12 HG11 VAL 12 -6.722 -10.908 3.133 87 HG12 VAL 12 HG12 VAL 12 -6.246 -11.740 4.608 88 HG13 VAL 12 HG13 VAL 12 -5.257 -11.885 3.165 89 HG21 VAL 12 HG21 VAL 12 -6.810 -8.892 4.739 90 HG22 VAL 12 HG22 VAL 12 -6.188 -8.479 3.141 91 HG23 VAL 12 HG23 VAL 12 -5.362 -7.899 4.587 92 H GLU 13 HN GLU 13 -2.718 -11.297 4.188 93 HA GLU 13 HA GLU 13 -3.112 -14.002 4.564 94 HB2 GLU 13 HB2 GLU 13 -0.471 -12.523 4.439 95 HB3 GLU 13 HB1 GLU 13 -0.629 -14.274 4.283 96 HG2 GLU 13 HG2 GLU 13 -1.907 -14.087 2.286 97 HG3 GLU 13 HG1 GLU 13 -2.183 -12.364 2.540 98 H ALA 14 HN ALA 14 -1.752 -11.729 6.897 99 HA ALA 14 HA ALA 14 -0.926 -13.901 8.710 100 HB1 ALA 14 HB1 ALA 14 0.462 -12.016 8.864 101 HB2 ALA 14 HB2 ALA 14 -0.605 -11.810 10.254 102 HB3 ALA 14 HB3 ALA 14 -0.893 -10.894 8.776 103 H LEU 15 HN LEU 15 -3.242 -11.158 9.056 104 HA LEU 15 HA LEU 15 -4.530 -11.999 11.379 105 HB2 LEU 15 HB2 LEU 15 -5.627 -10.662 8.908 106 HB3 LEU 15 HB1 LEU 15 -6.647 -10.973 10.305 107 HG LEU 15 HG LEU 15 -4.016 -9.579 10.738 108 HD11 LEU 15 HD11 LEU 15 -6.518 -8.020 10.083 109 HD12 LEU 15 HD12 LEU 15 -5.365 -8.447 8.828 110 HD13 LEU 15 HD13 LEU 15 -4.862 -7.447 10.184 111 HD21 LEU 15 HD21 LEU 15 -6.759 -9.330 12.022 112 HD22 LEU 15 HD22 LEU 15 -5.285 -8.546 12.575 113 HD23 LEU 15 HD23 LEU 15 -5.431 -10.297 12.659 114 H TYR 16 HN TYR 16 -5.000 -13.173 8.086 115 HA TYR 16 HA TYR 16 -7.326 -14.696 8.406 116 HB2 TYR 16 HB2 TYR 16 -6.548 -14.673 6.217 117 HB3 TYR 16 HB1 TYR 16 -4.875 -14.868 6.705 118 HD1 TYR 16 HD1 TYR 16 -3.986 -16.823 5.774 119 HD2 TYR 16 HD2 TYR 16 -7.982 -16.881 7.350 120 HE1 TYR 16 HE1 TYR 16 -4.127 -19.251 5.320 121 HE2 TYR 16 HE2 TYR 16 -8.127 -19.313 6.887 122 HH TYR 16 HH TYR 16 -7.108 -20.984 5.507 123 H LEU 17 HN LEU 17 -3.988 -15.510 9.330 124 HA LEU 17 HA LEU 17 -4.725 -18.161 10.316 125 HB2 LEU 17 HB2 LEU 17 -2.238 -16.451 10.630 126 HB3 LEU 17 HB1 LEU 17 -2.406 -18.043 11.358 127 HG LEU 17 HG LEU 17 -3.017 -18.817 8.912 128 HD11 LEU 17 HD11 LEU 17 -3.135 -16.576 7.927 129 HD12 LEU 17 HD12 LEU 17 -1.801 -17.470 7.208 130 HD13 LEU 17 HD13 LEU 17 -1.481 -16.249 8.439 131 HD21 LEU 17 HD21 LEU 17 -0.558 -19.081 8.422 132 HD22 LEU 17 HD22 LEU 17 -1.021 -19.597 10.044 133 HD23 LEU 17 HD23 LEU 17 -0.225 -18.041 9.807 134 H VAL 18 HN VAL 18 -3.755 -15.088 11.808 135 HA VAL 18 HA VAL 18 -4.021 -15.755 14.513 136 HB VAL 18 HB VAL 18 -4.985 -13.157 13.293 137 HG11 VAL 18 HG11 VAL 18 -3.599 -13.681 15.919 138 HG12 VAL 18 HG12 VAL 18 -5.351 -13.590 15.742 139 HG13 VAL 18 HG13 VAL 18 -4.354 -12.180 15.384 140 HG21 VAL 18 HG21 VAL 18 -2.172 -14.113 13.896 141 HG22 VAL 18 HG22 VAL 18 -2.586 -12.420 13.631 142 HG23 VAL 18 HG23 VAL 18 -2.808 -13.594 12.336 143 H CYS 19 HN CYS 19 -6.565 -14.396 12.415 144 HA CYS 19 HA CYS 19 -8.657 -14.897 14.381 145 HB2 CYS 19 HB2 CYS 19 -9.036 -14.249 11.453 146 HB3 CYS 19 HB1 CYS 19 -10.087 -13.836 12.813 147 H GLY 20 HN GLY 20 -7.259 -16.673 11.728 148 HA2 GLY 20 HA2 GLY 20 -7.824 -18.761 10.811 149 HA3 GLY 20 HA1 GLY 20 -8.564 -19.099 12.379 150 H GLU 21 HN GLU 21 -10.725 -19.483 12.293 151 HA GLU 21 HA GLU 21 -12.219 -18.780 9.858 152 HB2 GLU 21 HB2 GLU 21 -13.131 -20.186 12.385 153 HB3 GLU 21 HB1 GLU 21 -14.049 -20.066 10.883 154 HG2 GLU 21 HG2 GLU 21 -12.414 -21.365 9.686 155 HG3 GLU 21 HG1 GLU 21 -11.292 -21.309 11.046 156 H ARG 22 HN ARG 22 -11.900 -17.580 13.133 157 HA ARG 22 HA ARG 22 -14.350 -16.209 13.412 158 HB2 ARG 22 HB2 ARG 22 -11.597 -15.273 14.284 159 HB3 ARG 22 HB1 ARG 22 -13.131 -14.653 14.896 160 HG2 ARG 22 HG2 ARG 22 -13.647 -17.149 15.468 161 HG3 ARG 22 HG1 ARG 22 -11.908 -17.383 15.292 162 HD2 ARG 22 HD2 ARG 22 -11.666 -15.391 16.920 163 HD3 ARG 22 HD1 ARG 22 -13.374 -15.642 17.276 164 HE ARG 22 HE ARG 22 -12.229 -18.165 17.546 165 HH11 ARG 22 HH11 ARG 22 -11.414 -18.924 19.508 166 HH12 ARG 22 HH12 ARG 22 -10.921 -17.792 20.723 167 HH21 ARG 22 HH21 ARG 22 -11.722 -15.002 18.821 168 HH22 ARG 22 HH22 ARG 22 -11.096 -15.568 20.334 169 H GLY 23 HN GLY 23 -11.458 -15.327 11.574 170 HA2 GLY 23 HA2 GLY 23 -11.291 -13.838 9.755 171 HA3 GLY 23 HA1 GLY 23 -13.032 -13.589 9.861 172 H PHE 24 HN PHE 24 -11.380 -11.455 9.348 173 HA PHE 24 HA PHE 24 -11.723 -9.785 11.803 174 HB2 PHE 24 HB2 PHE 24 -9.565 -8.644 11.254 175 HB3 PHE 24 HB1 PHE 24 -9.357 -10.323 11.724 176 HD1 PHE 24 HD1 PHE 24 -9.308 -12.107 9.835 177 HD2 PHE 24 HD2 PHE 24 -8.729 -7.895 9.197 178 HE1 PHE 24 HE1 PHE 24 -8.227 -12.593 7.653 179 HE2 PHE 24 HE2 PHE 24 -7.645 -8.386 7.007 180 HZ PHE 24 HZ PHE 24 -7.416 -10.728 6.250 181 H PHE 25 HN PHE 25 -11.493 -7.356 11.044 182 HA PHE 25 HA PHE 25 -12.881 -7.082 8.403 183 HB2 PHE 25 HB2 PHE 25 -14.077 -5.286 9.318 184 HB3 PHE 25 HB1 PHE 25 -13.951 -6.385 10.690 185 HD1 PHE 25 HD1 PHE 25 -13.040 -3.177 9.347 186 HD2 PHE 25 HD2 PHE 25 -12.157 -5.994 12.437 187 HE1 PHE 25 HE1 PHE 25 -11.854 -1.397 10.607 188 HE2 PHE 25 HE2 PHE 25 -10.965 -4.230 13.703 189 HZ PHE 25 HZ PHE 25 -10.814 -1.928 12.794 190 H TYR 26 HN TYR 26 -11.718 -6.057 6.815 191 HA TYR 26 HA TYR 26 -9.178 -4.699 7.585 192 HB2 TYR 26 HB2 TYR 26 -9.498 -6.491 5.663 193 HB3 TYR 26 HB1 TYR 26 -10.064 -5.108 4.728 194 HD1 TYR 26 HD1 TYR 26 -7.256 -6.115 6.998 195 HD2 TYR 26 HD2 TYR 26 -8.469 -3.784 3.602 196 HE1 TYR 26 HE1 TYR 26 -4.902 -5.463 6.613 197 HE2 TYR 26 HE2 TYR 26 -6.105 -3.118 3.222 198 HH TYR 26 HH TYR 26 -3.949 -3.617 3.761 199 H THR 27 HN THR 27 -8.696 -2.627 6.297 200 HA THR 27 HA THR 27 -10.780 -0.725 6.790 201 HB THR 27 HB THR 27 -8.461 -0.019 6.876 202 HG1 THR 27 HG1 THR 27 -8.723 1.823 5.783 203 HG21 THR 27 HG21 THR 27 -7.050 -0.024 4.863 204 HG22 THR 27 HG22 THR 27 -8.363 -0.751 3.937 205 HG23 THR 27 HG23 THR 27 -7.596 -1.658 5.240 206 HA PRO 28 HA PRO 28 -12.944 -1.221 2.918 207 HB2 PRO 28 HB2 PRO 28 -14.088 1.315 2.707 208 HB3 PRO 28 HB1 PRO 28 -14.749 0.001 3.670 209 HG2 PRO 28 HG2 PRO 28 -13.287 2.431 4.574 210 HG3 PRO 28 HG1 PRO 28 -14.455 1.432 5.456 211 HD2 PRO 28 HD2 PRO 28 -11.661 1.368 5.827 212 HD3 PRO 28 HD1 PRO 28 -12.808 0.122 6.348 213 H ARG 29 HN ARG 29 -11.915 2.221 2.923 214 HA ARG 29 HA ARG 29 -10.711 1.843 0.242 215 HB2 ARG 29 HB2 ARG 29 -11.489 4.191 1.949 216 HB3 ARG 29 HB1 ARG 29 -10.237 4.432 0.734 217 HG2 ARG 29 HG2 ARG 29 -12.560 4.946 -0.068 218 HG3 ARG 29 HG1 ARG 29 -11.713 3.745 -1.037 219 HD2 ARG 29 HD2 ARG 29 -13.410 2.765 1.224 220 HD3 ARG 29 HD1 ARG 29 -14.224 3.345 -0.224 221 HE ARG 29 HE ARG 29 -12.209 1.615 -1.135 222 HH11 ARG 29 HH11 ARG 29 -12.586 -0.581 -1.494 223 HH12 ARG 29 HH12 ARG 29 -13.917 -1.359 -0.704 224 HH21 ARG 29 HH21 ARG 29 -14.961 1.508 0.940 225 HH22 ARG 29 HH22 ARG 29 -15.260 -0.177 0.672 226 H THR 30 HN THR 30 -9.529 3.793 2.985 227 HA THR 30 HA THR 30 -7.152 2.186 3.322 228 HB THR 30 HB THR 30 -6.556 3.261 1.236 229 HG1 THR 30 HG1 THR 30 -4.609 3.931 1.903 230 HG21 THR 30 HG21 THR 30 -7.869 5.217 1.181 231 HG22 THR 30 HG22 THR 30 -6.200 5.769 1.277 232 HG23 THR 30 HG23 THR 30 -7.213 5.792 2.712 233 H GLU 31 HN GLU 31 -5.656 4.755 3.983 234 HA GLU 31 HA GLU 31 -6.161 4.837 6.756 235 HB2 GLU 31 HB2 GLU 31 -5.028 6.977 4.927 236 HB3 GLU 31 HB1 GLU 31 -4.969 7.047 6.688 237 HG2 GLU 31 HG2 GLU 31 -2.873 6.126 6.029 238 HG3 GLU 31 HG1 GLU 31 -3.827 4.752 6.589 239 H GLU 32 HN GLU 32 -8.199 5.812 4.269 240 HA GLU 32 HA GLU 32 -9.321 8.247 5.056 241 HB2 GLU 32 HB2 GLU 32 -11.116 5.908 4.411 242 HB3 GLU 32 HB1 GLU 32 -11.320 7.607 3.982 243 HG2 GLU 32 HG2 GLU 32 -9.033 7.219 2.679 244 HG3 GLU 32 HG1 GLU 32 -9.539 5.531 2.742 245 H GLY 33 HN GLY 33 -9.621 5.143 6.657 246 HA2 GLY 33 HA2 GLY 33 -11.777 5.648 8.395 247 HA3 GLY 33 HA1 GLY 33 -10.404 4.624 8.813 248 H SER 34 HN SER 34 -11.809 6.434 10.605 249 HA SER 34 HA SER 34 -10.019 8.734 10.997 250 HB2 SER 34 HB2 SER 34 -12.567 8.647 11.476 251 HB3 SER 34 HB1 SER 34 -12.119 7.795 12.949 252 HG SER 34 HG SER 34 -10.507 9.761 12.945 253 H ARG 35 HN ARG 35 -11.049 6.054 13.099 254 HA ARG 35 HA ARG 35 -8.429 6.227 14.521 255 HB2 ARG 35 HB2 ARG 35 -9.748 4.534 16.082 256 HB3 ARG 35 HB1 ARG 35 -10.060 6.264 16.185 257 HG2 ARG 35 HG2 ARG 35 -11.989 5.976 14.628 258 HG3 ARG 35 HG1 ARG 35 -11.690 4.239 14.621 259 HD2 ARG 35 HD2 ARG 35 -12.223 5.850 17.127 260 HD3 ARG 35 HD1 ARG 35 -13.463 4.954 16.248 261 HE ARG 35 HE ARG 35 -11.507 3.058 16.706 262 HH11 ARG 35 HH11 ARG 35 -11.474 1.765 18.559 263 HH12 ARG 35 HH12 ARG 35 -12.225 2.336 20.012 264 HH21 ARG 35 HH21 ARG 35 -13.247 5.342 18.616 265 HH22 ARG 35 HH22 ARG 35 -13.229 4.361 20.044 266 H ARG 36 HN ARG 36 -10.663 3.703 13.304 267 HA ARG 36 HA ARG 36 -8.867 1.552 13.513 268 HB2 ARG 36 HB2 ARG 36 -10.299 0.429 11.873 269 HB3 ARG 36 HB1 ARG 36 -11.273 1.287 13.059 270 HG2 ARG 36 HG2 ARG 36 -11.187 3.257 11.377 271 HG3 ARG 36 HG1 ARG 36 -10.690 2.043 10.201 272 HD2 ARG 36 HD2 ARG 36 -13.024 2.060 9.954 273 HD3 ARG 36 HD1 ARG 36 -12.773 0.711 11.061 274 HE ARG 36 HE ARG 36 -13.119 2.877 12.746 275 HH11 ARG 36 HH11 ARG 36 -15.148 3.514 13.514 276 HH12 ARG 36 HH12 ARG 36 -16.567 3.120 12.602 277 HH21 ARG 36 HH21 ARG 36 -14.822 1.498 10.083 278 HH22 ARG 36 HH22 ARG 36 -16.382 1.980 10.660 279 H SER 37 HN SER 37 -8.739 0.489 10.883 280 HA SER 37 HA SER 37 -7.229 0.435 9.097 281 HB2 SER 37 HB2 SER 37 -8.610 2.018 8.037 282 HB3 SER 37 HB1 SER 37 -8.119 3.314 9.125 283 HG SER 37 HG SER 37 -7.092 2.737 6.800 284 H ARG 38 HN ARG 38 -6.339 3.715 10.169 285 HA ARG 38 HA ARG 38 -3.544 3.197 10.048 286 HB2 ARG 38 HB2 ARG 38 -3.377 5.235 11.572 287 HB3 ARG 38 HB1 ARG 38 -4.268 5.485 10.072 288 HG2 ARG 38 HG2 ARG 38 -6.375 5.341 11.171 289 HG3 ARG 38 HG1 ARG 38 -5.653 4.697 12.638 290 HD2 ARG 38 HD2 ARG 38 -5.321 7.492 11.528 291 HD3 ARG 38 HD1 ARG 38 -6.194 7.054 12.990 292 HE ARG 38 HE ARG 38 -3.379 7.591 12.765 293 HH11 ARG 38 HH11 ARG 38 -1.861 6.858 14.242 294 HH12 ARG 38 HH12 ARG 38 -2.303 5.638 15.389 295 HH21 ARG 38 HH21 ARG 38 -5.563 5.372 14.263 296 HH22 ARG 38 HH22 ARG 38 -4.389 4.797 15.397 297 H GLY 39 HN GLY 39 -5.908 2.316 12.372 298 HA2 GLY 39 HA2 GLY 39 -3.998 1.973 14.578 299 HA3 GLY 39 HA1 GLY 39 -5.694 1.484 14.586 300 H ILE 40 HN ILE 40 -5.437 0.055 12.012 301 HA ILE 40 HA ILE 40 -4.153 -2.410 13.069 302 HB ILE 40 HB ILE 40 -6.649 -2.093 12.219 303 HG12 ILE 40 HG12 ILE 40 -6.293 -4.230 12.998 304 HG13 ILE 40 HG11 ILE 40 -6.504 -4.591 11.304 305 HG21 ILE 40 HG21 ILE 40 -5.271 -2.877 9.643 306 HG22 ILE 40 HG22 ILE 40 -5.969 -1.297 9.983 307 HG23 ILE 40 HG23 ILE 40 -7.003 -2.715 9.914 308 HD11 ILE 40 HD11 ILE 40 -3.890 -4.376 11.185 309 HD12 ILE 40 HD12 ILE 40 -4.601 -5.832 11.844 310 HD13 ILE 40 HD13 ILE 40 -3.960 -4.613 12.928 311 H VAL 41 HN VAL 41 -4.369 -0.592 9.953 312 HA VAL 41 HA VAL 41 -2.327 -2.193 8.710 313 HB VAL 41 HB VAL 41 -2.962 0.646 7.896 314 HG11 VAL 41 HG11 VAL 41 -2.447 -1.811 6.205 315 HG12 VAL 41 HG12 VAL 41 -1.144 -0.776 6.786 316 HG13 VAL 41 HG13 VAL 41 -2.378 -0.120 5.710 317 HG21 VAL 41 HG21 VAL 41 -5.144 -0.212 8.119 318 HG22 VAL 41 HG22 VAL 41 -4.658 -1.840 7.650 319 HG23 VAL 41 HG23 VAL 41 -4.757 -0.565 6.438 320 H GLU 42 HN GLU 42 -2.059 1.281 9.622 321 HA GLU 42 HA GLU 42 0.756 1.357 9.347 322 HB2 GLU 42 HB2 GLU 42 -1.058 3.003 11.122 323 HB3 GLU 42 HB1 GLU 42 0.643 3.368 10.848 324 HG2 GLU 42 HG2 GLU 42 0.149 3.409 8.374 325 HG3 GLU 42 HG1 GLU 42 -1.564 3.276 8.775 326 H GLN 43 HN GLN 43 -1.152 0.815 12.332 327 HA GLN 43 HA GLN 43 0.906 0.598 14.189 328 HB2 GLN 43 HB2 GLN 43 -1.502 0.320 14.721 329 HB3 GLN 43 HB1 GLN 43 -1.466 -1.273 13.963 330 HG2 GLN 43 HG2 GLN 43 0.094 -2.104 15.594 331 HG3 GLN 43 HG1 GLN 43 0.348 -0.488 16.256 332 HE21 GLN 43 HE21 GLN 43 -2.133 -3.047 15.902 333 HE22 GLN 43 HE22 GLN 43 -3.069 -2.542 17.225 334 H CYS 44 HN CYS 44 -0.279 -2.046 12.087 335 HA CYS 44 HA CYS 44 1.934 -3.779 12.904 336 HB2 CYS 44 HB2 CYS 44 -0.328 -4.076 10.902 337 HB3 CYS 44 HB1 CYS 44 0.859 -5.331 11.232 338 H CYS 45 HN CYS 45 0.891 -2.319 9.812 339 HA CYS 45 HA CYS 45 3.184 -3.093 8.306 340 HB2 CYS 45 HB2 CYS 45 1.105 -2.231 7.278 341 HB3 CYS 45 HB1 CYS 45 1.430 -0.644 7.968 342 H ARG 46 HN ARG 46 2.529 -0.083 10.115 343 HA ARG 46 HA ARG 46 5.086 1.070 9.449 344 HB2 ARG 46 HB2 ARG 46 2.863 2.179 10.356 345 HB3 ARG 46 HB1 ARG 46 3.570 1.850 11.934 346 HG2 ARG 46 HG2 ARG 46 4.997 3.350 9.715 347 HG3 ARG 46 HG1 ARG 46 4.097 4.131 11.004 348 HD2 ARG 46 HD2 ARG 46 5.743 2.455 12.450 349 HD3 ARG 46 HD1 ARG 46 6.781 2.877 11.093 350 HE ARG 46 HE ARG 46 6.281 4.544 13.296 351 HH11 ARG 46 HH11 ARG 46 6.360 6.786 13.246 352 HH12 ARG 46 HH12 ARG 46 6.248 7.613 11.728 353 HH21 ARG 46 HH21 ARG 46 5.978 4.719 9.858 354 HH22 ARG 46 HH22 ARG 46 6.025 6.445 9.819 355 H SER 47 HN SER 47 3.895 -0.872 12.188 356 HA SER 47 HA SER 47 6.751 -1.279 13.006 357 HB2 SER 47 HB2 SER 47 4.503 -0.804 14.979 358 HB3 SER 47 HB1 SER 47 6.220 -0.972 15.336 359 HG SER 47 HG SER 47 4.793 1.171 14.277 360 H ILE 48 HN ILE 48 7.121 -3.297 14.099 361 HA ILE 48 HA ILE 48 5.457 -5.453 13.147 362 HB ILE 48 HB ILE 48 7.498 -5.622 15.377 363 HG12 ILE 48 HG12 ILE 48 7.956 -5.662 12.375 364 HG13 ILE 48 HG11 ILE 48 8.473 -4.383 13.475 365 HG21 ILE 48 HG21 ILE 48 6.739 -7.597 13.208 366 HG22 ILE 48 HG22 ILE 48 6.046 -7.611 14.829 367 HG23 ILE 48 HG23 ILE 48 7.772 -7.898 14.606 368 HD11 ILE 48 HD11 ILE 48 9.409 -7.265 13.469 369 HD12 ILE 48 HD12 ILE 48 9.807 -6.106 14.737 370 HD13 ILE 48 HD13 ILE 48 10.369 -5.836 13.087 371 H CYS 49 HN CYS 49 3.361 -5.375 13.973 372 HA CYS 49 HA CYS 49 2.916 -4.953 16.851 373 HB2 CYS 49 HB2 CYS 49 0.542 -5.139 16.294 374 HB3 CYS 49 HB1 CYS 49 1.328 -4.067 15.141 375 H SER 50 HN SER 50 2.391 -6.576 18.318 376 HA SER 50 HA SER 50 3.216 -9.268 17.660 377 HB2 SER 50 HB2 SER 50 1.620 -8.459 20.095 378 HB3 SER 50 HB1 SER 50 2.766 -9.788 19.940 379 HG SER 50 HG SER 50 4.417 -8.257 19.711 380 H LEU 51 HN LEU 51 1.799 -11.189 17.914 381 HA LEU 51 HA LEU 51 -0.482 -11.117 16.254 382 HB2 LEU 51 HB2 LEU 51 -0.080 -13.080 18.526 383 HB3 LEU 51 HB1 LEU 51 -0.955 -13.348 17.019 384 HG LEU 51 HG LEU 51 2.027 -12.831 17.247 385 HD11 LEU 51 HD11 LEU 51 2.112 -15.227 16.398 386 HD12 LEU 51 HD12 LEU 51 0.392 -15.333 16.777 387 HD13 LEU 51 HD13 LEU 51 1.562 -15.034 18.063 388 HD21 LEU 51 HD21 LEU 51 1.860 -13.654 14.788 389 HD22 LEU 51 HD22 LEU 51 1.358 -12.000 15.132 390 HD23 LEU 51 HD23 LEU 51 0.145 -13.263 14.922 391 H TYR 52 HN TYR 52 -0.167 -10.582 19.720 392 HA TYR 52 HA TYR 52 -2.806 -10.806 20.594 393 HB2 TYR 52 HB2 TYR 52 -0.672 -10.034 21.875 394 HB3 TYR 52 HB1 TYR 52 -1.130 -8.413 21.370 395 HD1 TYR 52 HD1 TYR 52 -3.461 -7.587 21.928 396 HD2 TYR 52 HD2 TYR 52 -1.758 -11.097 23.703 397 HE1 TYR 52 HE1 TYR 52 -5.132 -7.463 23.760 398 HE2 TYR 52 HE2 TYR 52 -3.425 -10.983 25.538 399 HH TYR 52 HH TYR 52 -4.950 -9.603 26.552 400 H GLN 53 HN GLN 53 -1.320 -7.886 19.144 401 HA GLN 53 HA GLN 53 -3.746 -6.378 19.039 402 HB2 GLN 53 HB2 GLN 53 -1.423 -6.153 17.108 403 HB3 GLN 53 HB1 GLN 53 -2.564 -4.887 17.569 404 HG2 GLN 53 HG2 GLN 53 -1.746 -5.167 19.954 405 HG3 GLN 53 HG1 GLN 53 -0.471 -6.198 19.315 406 HE21 GLN 53 HE21 GLN 53 1.406 -5.127 18.706 407 HE22 GLN 53 HE22 GLN 53 1.516 -3.469 18.359 408 H LEU 54 HN LEU 54 -2.121 -8.314 16.489 409 HA LEU 54 HA LEU 54 -4.099 -7.973 14.509 410 HB2 LEU 54 HB2 LEU 54 -2.391 -10.381 15.055 411 HB3 LEU 54 HB1 LEU 54 -3.291 -10.110 13.567 412 HG LEU 54 HG LEU 54 -1.175 -8.260 14.676 413 HD11 LEU 54 HD11 LEU 54 -1.002 -10.032 12.223 414 HD12 LEU 54 HD12 LEU 54 -0.409 -10.540 13.805 415 HD13 LEU 54 HD13 LEU 54 0.304 -9.142 13.007 416 HD21 LEU 54 HD21 LEU 54 -3.010 -8.161 12.297 417 HD22 LEU 54 HD22 LEU 54 -1.394 -7.478 12.145 418 HD23 LEU 54 HD23 LEU 54 -2.495 -6.859 13.367 419 H GLU 55 HN GLU 55 -3.946 -10.049 17.271 420 HA GLU 55 HA GLU 55 -6.285 -11.617 16.589 421 HB2 GLU 55 HB2 GLU 55 -4.350 -12.220 18.215 422 HB3 GLU 55 HB1 GLU 55 -5.247 -11.252 19.380 423 HG2 GLU 55 HG2 GLU 55 -7.285 -12.680 18.793 424 HG3 GLU 55 HG1 GLU 55 -6.162 -13.758 17.963 425 H ASN 56 HN ASN 56 -5.838 -8.465 17.617 426 HA ASN 56 HA ASN 56 -8.183 -8.258 19.346 427 HB2 ASN 56 HB2 ASN 56 -6.058 -6.787 19.349 428 HB3 ASN 56 HB1 ASN 56 -6.788 -5.959 17.973 429 HD21 ASN 56 HD21 ASN 56 -6.304 -4.974 20.799 430 HD22 ASN 56 HD22 ASN 56 -7.823 -4.458 21.347 431 H TYR 57 HN TYR 57 -7.609 -8.050 15.924 432 HA TYR 57 HA TYR 57 -10.219 -6.694 15.467 433 HB2 TYR 57 HB2 TYR 57 -8.245 -7.526 13.349 434 HB3 TYR 57 HB1 TYR 57 -9.403 -6.203 13.310 435 HD1 TYR 57 HD1 TYR 57 -9.027 -4.179 14.830 436 HD2 TYR 57 HD2 TYR 57 -6.113 -7.252 14.289 437 HE1 TYR 57 HE1 TYR 57 -7.293 -2.674 15.731 438 HE2 TYR 57 HE2 TYR 57 -4.352 -5.757 15.206 439 HH TYR 57 HH TYR 57 -3.879 -3.655 15.829 440 H CYS 58 HN CYS 58 -9.024 -9.830 15.725 441 HA CYS 58 HA CYS 58 -10.356 -11.164 13.602 442 HB2 CYS 58 HB2 CYS 58 -9.721 -12.141 16.394 443 HB3 CYS 58 HB1 CYS 58 -10.208 -13.168 15.052 444 H GLY 59 HN GLY 59 -12.444 -10.536 13.245 445 HA2 GLY 59 HA2 GLY 59 -14.371 -10.044 15.320 446 HA3 GLY 59 HA1 GLY 59 -14.756 -10.334 13.623 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 7.466 -14.822 9.909 2 H2 PHE 1 HT2 PHE 1 6.342 -15.583 8.887 3 H3 PHE 1 HT3 PHE 1 6.608 -16.179 10.456 4 HA PHE 1 HA PHE 1 5.531 -13.486 9.872 5 HB2 PHE 1 HB2 PHE 1 3.949 -15.136 9.064 6 HB3 PHE 1 HB1 PHE 1 4.143 -16.104 10.515 7 HD1 PHE 1 HD1 PHE 1 1.661 -16.065 10.663 8 HD2 PHE 1 HD2 PHE 1 3.966 -12.447 11.048 9 HE1 PHE 1 HE1 PHE 1 -0.285 -14.917 11.674 10 HE2 PHE 1 HE2 PHE 1 2.023 -11.315 12.054 11 HZ PHE 1 HZ PHE 1 -0.111 -12.548 12.365 12 H VAL 2 HN VAL 2 7.662 -14.069 11.635 13 HA VAL 2 HA VAL 2 6.428 -14.182 14.351 14 HB VAL 2 HB VAL 2 8.935 -14.250 15.017 15 HG11 VAL 2 HG11 VAL 2 7.721 -16.485 13.372 16 HG12 VAL 2 HG12 VAL 2 7.478 -16.214 15.098 17 HG13 VAL 2 HG13 VAL 2 9.072 -16.662 14.492 18 HG21 VAL 2 HG21 VAL 2 9.599 -13.454 12.659 19 HG22 VAL 2 HG22 VAL 2 9.241 -15.095 12.127 20 HG23 VAL 2 HG23 VAL 2 10.511 -14.811 13.317 21 H ASN 3 HN ASN 3 9.406 -12.647 14.390 22 HA ASN 3 HA ASN 3 8.149 -10.066 15.039 23 HB2 ASN 3 HB2 ASN 3 10.122 -11.113 16.299 24 HB3 ASN 3 HB1 ASN 3 11.112 -10.665 14.909 25 HD21 ASN 3 HD21 ASN 3 8.766 -9.178 17.213 26 HD22 ASN 3 HD22 ASN 3 9.531 -7.663 17.241 27 H GLN 4 HN GLN 4 7.350 -9.704 12.801 28 HA GLN 4 HA GLN 4 9.438 -8.371 11.138 29 HB2 GLN 4 HB2 GLN 4 7.322 -10.104 9.857 30 HB3 GLN 4 HB1 GLN 4 8.826 -9.500 9.157 31 HG2 GLN 4 HG2 GLN 4 10.062 -10.907 10.872 32 HG3 GLN 4 HG1 GLN 4 8.509 -11.643 11.271 33 HE21 GLN 4 HE21 GLN 4 10.250 -13.465 10.318 34 HE22 GLN 4 HE22 GLN 4 9.955 -13.846 8.691 35 H HIS 5 HN HIS 5 8.341 -6.980 9.419 36 HA HIS 5 HA HIS 5 6.020 -5.612 10.666 37 HB2 HIS 5 HB2 HIS 5 6.675 -4.090 8.448 38 HB3 HIS 5 HB1 HIS 5 7.353 -3.848 10.051 39 HD2 HIS 5 HD2 HIS 5 9.750 -5.819 10.340 40 HE1 HIS 5 HE1 HIS 5 10.855 -4.883 6.377 41 HE2 HIS 5 HE2 HIS 5 11.653 -5.893 8.567 42 H LEU 6 HN LEU 6 4.020 -5.582 9.759 43 HA LEU 6 HA LEU 6 3.574 -7.257 7.312 44 HB2 LEU 6 HB2 LEU 6 2.070 -6.689 9.823 45 HB3 LEU 6 HB1 LEU 6 1.106 -6.881 8.371 46 HG LEU 6 HG LEU 6 1.900 -9.109 8.020 47 HD11 LEU 6 HD11 LEU 6 3.608 -9.998 9.842 48 HD12 LEU 6 HD12 LEU 6 4.048 -8.295 9.961 49 HD13 LEU 6 HD13 LEU 6 4.200 -9.142 8.424 50 HD21 LEU 6 HD21 LEU 6 1.360 -10.194 10.189 51 HD22 LEU 6 HD22 LEU 6 0.201 -8.943 9.770 52 HD23 LEU 6 HD23 LEU 6 1.443 -8.627 10.971 53 H CYS 7 HN CYS 7 3.255 -6.056 5.475 54 HA CYS 7 HA CYS 7 1.655 -3.536 5.709 55 HB2 CYS 7 HB2 CYS 7 4.067 -3.983 3.935 56 HB3 CYS 7 HB1 CYS 7 3.092 -2.514 4.016 57 H GLY 8 HN GLY 8 -0.104 -3.585 4.501 58 HA2 GLY 8 HA2 GLY 8 -1.618 -4.132 2.819 59 HA3 GLY 8 HA1 GLY 8 -0.223 -4.439 1.786 60 H SER 9 HN SER 9 -0.744 -6.366 0.854 61 HA SER 9 HA SER 9 -2.280 -8.462 1.749 62 HB2 SER 9 HB2 SER 9 0.359 -8.828 0.311 63 HB3 SER 9 HB1 SER 9 -1.018 -9.926 0.283 64 HG SER 9 HG SER 9 -1.566 -7.303 -0.388 65 H HIS 10 HN HIS 10 1.054 -7.783 2.753 66 HA HIS 10 HA HIS 10 1.541 -10.242 4.082 67 HB2 HIS 10 HB2 HIS 10 3.092 -8.141 3.650 68 HB3 HIS 10 HB1 HIS 10 2.537 -7.656 5.245 69 HD2 HIS 10 HD2 HIS 10 5.571 -9.255 4.127 70 HE1 HIS 10 HE1 HIS 10 4.486 -11.696 7.391 71 HE2 HIS 10 HE2 HIS 10 6.372 -11.065 5.811 72 H LEU 11 HN LEU 11 -0.256 -7.370 5.056 73 HA LEU 11 HA LEU 11 -0.609 -8.223 7.781 74 HB2 LEU 11 HB2 LEU 11 -0.843 -5.838 7.041 75 HB3 LEU 11 HB1 LEU 11 -2.282 -6.296 6.145 76 HG LEU 11 HG LEU 11 -3.517 -6.687 8.094 77 HD11 LEU 11 HD11 LEU 11 -2.138 -8.030 9.489 78 HD12 LEU 11 HD12 LEU 11 -2.389 -6.552 10.414 79 HD13 LEU 11 HD13 LEU 11 -0.877 -6.797 9.556 80 HD21 LEU 11 HD21 LEU 11 -2.481 -4.207 7.653 81 HD22 LEU 11 HD22 LEU 11 -1.994 -4.462 9.328 82 HD23 LEU 11 HD23 LEU 11 -3.694 -4.567 8.874 83 H VAL 12 HN VAL 12 -2.777 -8.209 4.968 84 HA VAL 12 HA VAL 12 -4.885 -9.679 6.178 85 HB VAL 12 HB VAL 12 -3.904 -9.579 3.309 86 HG11 VAL 12 HG11 VAL 12 -6.751 -10.245 3.613 87 HG12 VAL 12 HG12 VAL 12 -5.737 -11.489 4.327 88 HG13 VAL 12 HG13 VAL 12 -5.522 -11.045 2.643 89 HG21 VAL 12 HG21 VAL 12 -6.261 -8.211 4.627 90 HG22 VAL 12 HG22 VAL 12 -5.623 -7.916 3.009 91 HG23 VAL 12 HG23 VAL 12 -4.675 -7.465 4.426 92 H GLU 13 HN GLU 13 -2.331 -10.880 4.006 93 HA GLU 13 HA GLU 13 -2.722 -13.604 4.204 94 HB2 GLU 13 HB2 GLU 13 -0.095 -12.097 4.236 95 HB3 GLU 13 HB1 GLU 13 -0.226 -13.836 3.964 96 HG2 GLU 13 HG2 GLU 13 -1.412 -13.549 1.936 97 HG3 GLU 13 HG1 GLU 13 -1.801 -11.870 2.305 98 H ALA 14 HN ALA 14 -1.447 -11.475 6.702 99 HA ALA 14 HA ALA 14 -0.672 -13.760 8.406 100 HB1 ALA 14 HB1 ALA 14 0.756 -11.967 8.801 101 HB2 ALA 14 HB2 ALA 14 -0.442 -11.677 10.064 102 HB3 ALA 14 HB3 ALA 14 -0.514 -10.772 8.552 103 H LEU 15 HN LEU 15 -2.939 -10.995 8.835 104 HA LEU 15 HA LEU 15 -4.319 -11.908 11.063 105 HB2 LEU 15 HB2 LEU 15 -5.314 -10.444 8.621 106 HB3 LEU 15 HB1 LEU 15 -6.382 -10.793 9.973 107 HG LEU 15 HG LEU 15 -3.735 -9.480 10.543 108 HD11 LEU 15 HD11 LEU 15 -4.984 -8.231 8.653 109 HD12 LEU 15 HD12 LEU 15 -4.535 -7.300 10.077 110 HD13 LEU 15 HD13 LEU 15 -6.191 -7.853 9.873 111 HD21 LEU 15 HD21 LEU 15 -5.016 -8.515 12.401 112 HD22 LEU 15 HD22 LEU 15 -5.238 -10.260 12.384 113 HD23 LEU 15 HD23 LEU 15 -6.504 -9.205 11.764 114 H TYR 16 HN TYR 16 -4.692 -12.975 7.720 115 HA TYR 16 HA TYR 16 -7.059 -14.472 7.937 116 HB2 TYR 16 HB2 TYR 16 -6.242 -14.374 5.763 117 HB3 TYR 16 HB1 TYR 16 -4.581 -14.623 6.270 118 HD1 TYR 16 HD1 TYR 16 -3.709 -16.574 5.316 119 HD2 TYR 16 HD2 TYR 16 -7.755 -16.577 6.762 120 HE1 TYR 16 HE1 TYR 16 -3.895 -18.980 4.779 121 HE2 TYR 16 HE2 TYR 16 -7.945 -18.989 6.215 122 HH TYR 16 HH TYR 16 -5.826 -20.985 5.948 123 H LEU 17 HN LEU 17 -3.748 -15.357 8.883 124 HA LEU 17 HA LEU 17 -4.531 -18.036 9.750 125 HB2 LEU 17 HB2 LEU 17 -2.024 -16.377 10.160 126 HB3 LEU 17 HB1 LEU 17 -2.222 -17.999 10.810 127 HG LEU 17 HG LEU 17 -2.825 -18.633 8.314 128 HD11 LEU 17 HD11 LEU 17 -2.854 -16.319 7.468 129 HD12 LEU 17 HD12 LEU 17 -1.568 -17.237 6.694 130 HD13 LEU 17 HD13 LEU 17 -1.185 -16.104 7.988 131 HD21 LEU 17 HD21 LEU 17 -0.353 -18.922 7.853 132 HD22 LEU 17 HD22 LEU 17 -0.878 -19.542 9.418 133 HD23 LEU 17 HD23 LEU 17 -0.037 -17.994 9.320 134 H VAL 18 HN VAL 18 -3.514 -15.051 11.381 135 HA VAL 18 HA VAL 18 -3.821 -15.812 14.055 136 HB VAL 18 HB VAL 18 -4.722 -13.161 12.911 137 HG11 VAL 18 HG11 VAL 18 -4.046 -12.265 15.047 138 HG12 VAL 18 HG12 VAL 18 -3.434 -13.840 15.552 139 HG13 VAL 18 HG13 VAL 18 -5.165 -13.600 15.317 140 HG21 VAL 18 HG21 VAL 18 -2.553 -13.541 11.968 141 HG22 VAL 18 HG22 VAL 18 -1.947 -14.232 13.472 142 HG23 VAL 18 HG23 VAL 18 -2.289 -12.504 13.369 143 H CYS 19 HN CYS 19 -6.319 -14.346 11.974 144 HA CYS 19 HA CYS 19 -8.442 -14.870 13.899 145 HB2 CYS 19 HB2 CYS 19 -8.806 -14.171 10.981 146 HB3 CYS 19 HB1 CYS 19 -9.839 -13.749 12.351 147 H GLY 20 HN GLY 20 -7.014 -16.596 11.231 148 HA2 GLY 20 HA2 GLY 20 -7.594 -18.646 10.232 149 HA3 GLY 20 HA1 GLY 20 -8.304 -19.040 11.801 150 H GLU 21 HN GLU 21 -10.465 -19.410 11.761 151 HA GLU 21 HA GLU 21 -12.016 -18.652 9.376 152 HB2 GLU 21 HB2 GLU 21 -13.056 -19.989 11.885 153 HB3 GLU 21 HB1 GLU 21 -13.746 -20.046 10.263 154 HG2 GLU 21 HG2 GLU 21 -12.631 -22.123 10.489 155 HG3 GLU 21 HG1 GLU 21 -11.514 -21.134 9.549 156 H ARG 22 HN ARG 22 -11.525 -17.501 12.622 157 HA ARG 22 HA ARG 22 -13.935 -16.111 13.086 158 HB2 ARG 22 HB2 ARG 22 -11.109 -15.222 13.752 159 HB3 ARG 22 HB1 ARG 22 -12.582 -14.570 14.474 160 HG2 ARG 22 HG2 ARG 22 -13.159 -16.871 15.261 161 HG3 ARG 22 HG1 ARG 22 -11.603 -17.434 14.654 162 HD2 ARG 22 HD2 ARG 22 -10.846 -15.266 16.197 163 HD3 ARG 22 HD1 ARG 22 -12.209 -15.898 17.115 164 HE ARG 22 HE ARG 22 -9.630 -17.010 17.130 165 HH11 ARG 22 HH11 ARG 22 -9.178 -19.176 17.524 166 HH12 ARG 22 HH12 ARG 22 -10.431 -20.358 17.347 167 HH21 ARG 22 HH21 ARG 22 -12.849 -18.058 16.438 168 HH22 ARG 22 HH22 ARG 22 -12.502 -19.726 16.729 169 H GLY 23 HN GLY 23 -11.133 -15.214 11.109 170 HA2 GLY 23 HA2 GLY 23 -11.040 -13.704 9.303 171 HA3 GLY 23 HA1 GLY 23 -12.781 -13.479 9.467 172 H PHE 24 HN PHE 24 -11.074 -11.336 8.950 173 HA PHE 24 HA PHE 24 -11.452 -9.677 11.407 174 HB2 PHE 24 HB2 PHE 24 -9.291 -8.530 10.929 175 HB3 PHE 24 HB1 PHE 24 -9.071 -10.218 11.352 176 HD1 PHE 24 HD1 PHE 24 -9.031 -11.940 9.383 177 HD2 PHE 24 HD2 PHE 24 -8.368 -7.715 8.938 178 HE1 PHE 24 HE1 PHE 24 -7.914 -12.352 7.207 179 HE2 PHE 24 HE2 PHE 24 -7.246 -8.132 6.754 180 HZ PHE 24 HZ PHE 24 -7.037 -10.445 5.903 181 H PHE 25 HN PHE 25 -11.199 -7.242 10.636 182 HA PHE 25 HA PHE 25 -12.572 -7.007 7.983 183 HB2 PHE 25 HB2 PHE 25 -13.743 -5.160 8.858 184 HB3 PHE 25 HB1 PHE 25 -13.722 -6.321 10.188 185 HD1 PHE 25 HD1 PHE 25 -12.774 -3.041 9.111 186 HD2 PHE 25 HD2 PHE 25 -11.897 -6.091 11.979 187 HE1 PHE 25 HE1 PHE 25 -11.609 -1.361 10.520 188 HE2 PHE 25 HE2 PHE 25 -10.727 -4.425 13.391 189 HZ PHE 25 HZ PHE 25 -10.589 -2.055 12.669 190 H TYR 26 HN TYR 26 -11.301 -6.166 6.405 191 HA TYR 26 HA TYR 26 -8.971 -4.448 7.182 192 HB2 TYR 26 HB2 TYR 26 -8.829 -6.593 5.628 193 HB3 TYR 26 HB1 TYR 26 -9.415 -5.494 4.383 194 HD1 TYR 26 HD1 TYR 26 -6.772 -5.904 6.972 195 HD2 TYR 26 HD2 TYR 26 -7.918 -3.965 3.324 196 HE1 TYR 26 HE1 TYR 26 -4.467 -5.049 6.712 197 HE2 TYR 26 HE2 TYR 26 -5.605 -3.080 3.076 198 HH TYR 26 HH TYR 26 -3.544 -3.086 3.884 199 H THR 27 HN THR 27 -9.680 -2.371 7.238 200 HA THR 27 HA THR 27 -11.502 -0.735 6.613 201 HB THR 27 HB THR 27 -9.237 0.124 6.705 202 HG1 THR 27 HG1 THR 27 -9.486 1.748 5.088 203 HG21 THR 27 HG21 THR 27 -8.765 -0.256 3.786 204 HG22 THR 27 HG22 THR 27 -8.564 -1.686 4.796 205 HG23 THR 27 HG23 THR 27 -7.609 -0.240 5.113 206 HA PRO 28 HA PRO 28 -12.830 -2.547 2.557 207 HB2 PRO 28 HB2 PRO 28 -15.516 -2.838 3.366 208 HB3 PRO 28 HB1 PRO 28 -14.296 -4.119 3.381 209 HG2 PRO 28 HG2 PRO 28 -15.493 -2.727 5.670 210 HG3 PRO 28 HG1 PRO 28 -14.463 -4.163 5.667 211 HD2 PRO 28 HD2 PRO 28 -13.714 -1.447 6.357 212 HD3 PRO 28 HD1 PRO 28 -12.699 -2.899 6.395 213 H ARG 29 HN ARG 29 -13.894 0.018 4.615 214 HA ARG 29 HA ARG 29 -15.468 1.313 2.435 215 HB2 ARG 29 HB2 ARG 29 -15.101 2.512 5.174 216 HB3 ARG 29 HB1 ARG 29 -16.491 2.602 4.092 217 HG2 ARG 29 HG2 ARG 29 -15.586 0.141 5.621 218 HG3 ARG 29 HG1 ARG 29 -16.974 1.147 6.002 219 HD2 ARG 29 HD2 ARG 29 -16.579 -0.603 3.573 220 HD3 ARG 29 HD1 ARG 29 -17.854 -0.705 4.786 221 HE ARG 29 HE ARG 29 -18.172 1.827 3.706 222 HH11 ARG 29 HH11 ARG 29 -19.506 2.227 1.923 223 HH12 ARG 29 HH12 ARG 29 -19.840 0.946 0.805 224 HH21 ARG 29 HH21 ARG 29 -17.928 -1.395 2.504 225 HH22 ARG 29 HH22 ARG 29 -18.948 -1.104 1.134 226 H THR 30 HN THR 30 -12.355 1.247 3.690 227 HA THR 30 HA THR 30 -10.518 2.704 3.523 228 HB THR 30 HB THR 30 -10.600 4.126 1.369 229 HG1 THR 30 HG1 THR 30 -12.260 3.735 0.017 230 HG21 THR 30 HG21 THR 30 -9.384 2.054 1.427 231 HG22 THR 30 HG22 THR 30 -10.356 2.050 -0.045 232 HG23 THR 30 HG23 THR 30 -10.875 1.116 1.359 233 H GLU 31 HN GLU 31 -13.316 3.687 4.642 234 HA GLU 31 HA GLU 31 -13.143 6.577 4.352 235 HB2 GLU 31 HB2 GLU 31 -14.643 4.770 6.270 236 HB3 GLU 31 HB1 GLU 31 -14.735 6.529 6.352 237 HG2 GLU 31 HG2 GLU 31 -15.605 6.637 4.081 238 HG3 GLU 31 HG1 GLU 31 -15.400 4.896 3.887 239 H GLU 32 HN GLU 32 -10.636 5.557 5.008 240 HA GLU 32 HA GLU 32 -9.780 5.324 7.608 241 HB2 GLU 32 HB2 GLU 32 -8.470 7.241 5.670 242 HB3 GLU 32 HB1 GLU 32 -7.691 6.324 6.960 243 HG2 GLU 32 HG2 GLU 32 -8.422 4.213 5.786 244 HG3 GLU 32 HG1 GLU 32 -8.951 5.220 4.438 245 H GLY 33 HN GLY 33 -9.951 8.524 6.064 246 HA2 GLY 33 HA2 GLY 33 -10.047 10.659 7.107 247 HA3 GLY 33 HA1 GLY 33 -11.542 9.976 7.736 248 H SER 34 HN SER 34 -11.586 9.202 9.866 249 HA SER 34 HA SER 34 -9.985 10.522 11.781 250 HB2 SER 34 HB2 SER 34 -12.182 9.494 12.287 251 HB3 SER 34 HB1 SER 34 -11.471 7.895 12.099 252 HG SER 34 HG SER 34 -10.662 9.892 13.955 253 H ARG 35 HN ARG 35 -9.877 7.155 12.436 254 HA ARG 35 HA ARG 35 -7.016 6.958 11.606 255 HB2 ARG 35 HB2 ARG 35 -6.706 5.794 13.939 256 HB3 ARG 35 HB1 ARG 35 -6.692 7.553 13.850 257 HG2 ARG 35 HG2 ARG 35 -9.064 7.620 14.475 258 HG3 ARG 35 HG1 ARG 35 -9.125 5.874 14.543 259 HD2 ARG 35 HD2 ARG 35 -6.965 6.486 16.198 260 HD3 ARG 35 HD1 ARG 35 -8.103 7.784 16.540 261 HE ARG 35 HE ARG 35 -8.306 5.201 17.592 262 HH11 ARG 35 HH11 ARG 35 -10.224 4.225 18.218 263 HH12 ARG 35 HH12 ARG 35 -11.727 4.795 17.574 264 HH21 ARG 35 HH21 ARG 35 -10.273 7.276 15.650 265 HH22 ARG 35 HH22 ARG 35 -11.753 6.516 16.121 266 H ARG 36 HN ARG 36 -8.198 4.639 13.808 267 HA ARG 36 HA ARG 36 -8.650 2.359 13.580 268 HB2 ARG 36 HB2 ARG 36 -10.055 3.354 11.091 269 HB3 ARG 36 HB1 ARG 36 -10.263 1.759 11.807 270 HG2 ARG 36 HG2 ARG 36 -10.760 3.272 13.991 271 HG3 ARG 36 HG1 ARG 36 -11.269 4.413 12.753 272 HD2 ARG 36 HD2 ARG 36 -12.692 2.550 11.774 273 HD3 ARG 36 HD1 ARG 36 -12.320 1.610 13.220 274 HE ARG 36 HE ARG 36 -13.267 4.018 14.218 275 HH11 ARG 36 HH11 ARG 36 -15.450 4.381 14.657 276 HH12 ARG 36 HH12 ARG 36 -16.654 3.457 13.822 277 HH21 ARG 36 HH21 ARG 36 -14.355 1.631 11.978 278 HH22 ARG 36 HH22 ARG 36 -16.034 1.900 12.306 279 H SER 37 HN SER 37 -8.533 3.043 10.139 280 HA SER 37 HA SER 37 -7.052 0.841 9.333 281 HB2 SER 37 HB2 SER 37 -7.810 2.139 7.550 282 HB3 SER 37 HB1 SER 37 -7.222 3.641 8.260 283 HG SER 37 HG SER 37 -5.223 1.853 7.824 284 H ARG 38 HN ARG 38 -5.522 4.046 9.957 285 HA ARG 38 HA ARG 38 -2.857 3.034 9.914 286 HB2 ARG 38 HB2 ARG 38 -2.361 5.090 11.370 287 HB3 ARG 38 HB1 ARG 38 -3.101 5.404 9.801 288 HG2 ARG 38 HG2 ARG 38 -5.294 5.607 10.814 289 HG3 ARG 38 HG1 ARG 38 -4.657 5.147 12.387 290 HD2 ARG 38 HD2 ARG 38 -4.037 7.652 10.812 291 HD3 ARG 38 HD1 ARG 38 -4.869 7.562 12.359 292 HE ARG 38 HE ARG 38 -2.031 7.734 11.946 293 HH11 ARG 38 HH11 ARG 38 -0.519 7.082 13.468 294 HH12 ARG 38 HH12 ARG 38 -1.021 6.112 14.812 295 HH21 ARG 38 HH21 ARG 38 -4.347 6.034 13.864 296 HH22 ARG 38 HH22 ARG 38 -3.178 5.518 15.033 297 H GLY 39 HN GLY 39 -5.369 2.515 12.105 298 HA2 GLY 39 HA2 GLY 39 -3.692 2.125 14.476 299 HA3 GLY 39 HA1 GLY 39 -5.404 1.712 14.334 300 H ILE 40 HN ILE 40 -5.060 0.181 11.868 301 HA ILE 40 HA ILE 40 -3.889 -2.284 13.056 302 HB ILE 40 HB ILE 40 -6.342 -1.986 12.138 303 HG12 ILE 40 HG12 ILE 40 -6.044 -4.150 12.856 304 HG13 ILE 40 HG11 ILE 40 -6.152 -4.472 11.145 305 HG21 ILE 40 HG21 ILE 40 -4.914 -2.711 9.574 306 HG22 ILE 40 HG22 ILE 40 -5.620 -1.136 9.937 307 HG23 ILE 40 HG23 ILE 40 -6.651 -2.555 9.814 308 HD11 ILE 40 HD11 ILE 40 -3.685 -4.483 12.901 309 HD12 ILE 40 HD12 ILE 40 -3.552 -4.302 11.156 310 HD13 ILE 40 HD13 ILE 40 -4.290 -5.736 11.830 311 H VAL 41 HN VAL 41 -3.965 -0.560 9.879 312 HA VAL 41 HA VAL 41 -1.888 -2.201 8.750 313 HB VAL 41 HB VAL 41 -2.453 0.626 7.848 314 HG11 VAL 41 HG11 VAL 41 -0.635 -0.634 6.743 315 HG12 VAL 41 HG12 VAL 41 -1.981 -0.368 5.635 316 HG13 VAL 41 HG13 VAL 41 -1.759 -1.946 6.389 317 HG21 VAL 41 HG21 VAL 41 -4.228 -0.538 6.372 318 HG22 VAL 41 HG22 VAL 41 -4.654 -0.228 8.052 319 HG23 VAL 41 HG23 VAL 41 -4.165 -1.846 7.551 320 H GLU 42 HN GLU 42 -1.622 1.291 9.605 321 HA GLU 42 HA GLU 42 1.206 1.310 9.432 322 HB2 GLU 42 HB2 GLU 42 -0.742 3.066 10.917 323 HB3 GLU 42 HB1 GLU 42 0.992 3.348 11.011 324 HG2 GLU 42 HG2 GLU 42 -0.502 3.116 8.388 325 HG3 GLU 42 HG1 GLU 42 -0.217 4.655 9.201 326 H GLN 43 HN GLN 43 -0.847 0.798 12.326 327 HA GLN 43 HA GLN 43 1.158 0.659 14.267 328 HB2 GLN 43 HB2 GLN 43 -1.250 0.400 14.760 329 HB3 GLN 43 HB1 GLN 43 -1.224 -1.200 14.018 330 HG2 GLN 43 HG2 GLN 43 0.261 -2.052 15.693 331 HG3 GLN 43 HG1 GLN 43 0.582 -0.435 16.321 332 HE21 GLN 43 HE21 GLN 43 -2.120 -2.778 15.892 333 HE22 GLN 43 HE22 GLN 43 -2.989 -2.253 17.253 334 H CYS 44 HN CYS 44 0.009 -2.070 12.249 335 HA CYS 44 HA CYS 44 2.189 -3.778 13.145 336 HB2 CYS 44 HB2 CYS 44 0.048 -4.075 11.021 337 HB3 CYS 44 HB1 CYS 44 1.214 -5.332 11.407 338 H CYS 45 HN CYS 45 1.333 -2.300 10.014 339 HA CYS 45 HA CYS 45 3.706 -3.047 8.626 340 HB2 CYS 45 HB2 CYS 45 1.670 -2.133 7.526 341 HB3 CYS 45 HB1 CYS 45 1.998 -0.568 8.263 342 H ARG 46 HN ARG 46 2.938 0.040 10.263 343 HA ARG 46 HA ARG 46 5.567 1.123 9.874 344 HB2 ARG 46 HB2 ARG 46 3.256 2.260 10.540 345 HB3 ARG 46 HB1 ARG 46 3.829 1.992 12.181 346 HG2 ARG 46 HG2 ARG 46 5.698 3.309 10.209 347 HG3 ARG 46 HG1 ARG 46 4.388 4.256 10.897 348 HD2 ARG 46 HD2 ARG 46 6.183 2.639 12.692 349 HD3 ARG 46 HD1 ARG 46 6.675 4.234 12.133 350 HE ARG 46 HE ARG 46 4.118 4.641 13.110 351 HH11 ARG 46 HH11 ARG 46 3.712 5.196 15.261 352 HH12 ARG 46 HH12 ARG 46 4.859 4.763 16.485 353 HH21 ARG 46 HH21 ARG 46 7.042 3.232 14.269 354 HH22 ARG 46 HH22 ARG 46 6.745 3.650 15.923 355 H SER 47 HN SER 47 4.109 -0.766 12.512 356 HA SER 47 HA SER 47 6.862 -1.078 13.671 357 HB2 SER 47 HB2 SER 47 4.365 -0.763 15.353 358 HB3 SER 47 HB1 SER 47 6.039 -0.786 15.902 359 HG SER 47 HG SER 47 5.379 1.338 15.783 360 H ILE 48 HN ILE 48 7.246 -3.125 14.593 361 HA ILE 48 HA ILE 48 5.691 -5.291 13.502 362 HB ILE 48 HB ILE 48 7.778 -5.316 15.705 363 HG12 ILE 48 HG12 ILE 48 8.118 -5.986 12.773 364 HG13 ILE 48 HG11 ILE 48 8.423 -4.371 13.412 365 HG21 ILE 48 HG21 ILE 48 6.491 -7.484 14.036 366 HG22 ILE 48 HG22 ILE 48 6.585 -7.380 15.793 367 HG23 ILE 48 HG23 ILE 48 8.037 -7.717 14.851 368 HD11 ILE 48 HD11 ILE 48 9.807 -6.940 14.231 369 HD12 ILE 48 HD12 ILE 48 10.026 -5.397 15.056 370 HD13 ILE 48 HD13 ILE 48 10.525 -5.576 13.375 371 H CYS 49 HN CYS 49 3.578 -5.322 14.239 372 HA CYS 49 HA CYS 49 3.000 -5.048 17.117 373 HB2 CYS 49 HB2 CYS 49 0.672 -5.173 16.454 374 HB3 CYS 49 HB1 CYS 49 1.497 -4.101 15.333 375 H SER 50 HN SER 50 2.498 -6.762 18.471 376 HA SER 50 HA SER 50 3.353 -9.399 17.685 377 HB2 SER 50 HB2 SER 50 1.631 -8.825 20.093 378 HB3 SER 50 HB1 SER 50 2.885 -10.048 19.905 379 HG SER 50 HG SER 50 3.071 -7.383 20.565 380 H LEU 51 HN LEU 51 2.003 -11.330 17.643 381 HA LEU 51 HA LEU 51 -0.225 -11.203 15.941 382 HB2 LEU 51 HB2 LEU 51 0.161 -13.298 18.097 383 HB3 LEU 51 HB1 LEU 51 -0.677 -13.493 16.558 384 HG LEU 51 HG LEU 51 2.284 -12.903 16.869 385 HD11 LEU 51 HD11 LEU 51 2.646 -15.199 16.219 386 HD12 LEU 51 HD12 LEU 51 0.920 -15.446 15.951 387 HD13 LEU 51 HD13 LEU 51 1.532 -15.199 17.586 388 HD21 LEU 51 HD21 LEU 51 2.173 -13.623 14.370 389 HD22 LEU 51 HD22 LEU 51 1.626 -12.000 14.782 390 HD23 LEU 51 HD23 LEU 51 0.448 -13.282 14.502 391 H TYR 52 HN TYR 52 -0.061 -10.897 19.441 392 HA TYR 52 HA TYR 52 -2.744 -11.233 20.155 393 HB2 TYR 52 HB2 TYR 52 -0.562 -10.480 21.525 394 HB3 TYR 52 HB1 TYR 52 -1.276 -8.885 21.328 395 HD1 TYR 52 HD1 TYR 52 -3.588 -8.456 22.170 396 HD2 TYR 52 HD2 TYR 52 -1.498 -12.104 23.018 397 HE1 TYR 52 HE1 TYR 52 -5.176 -8.931 24.018 398 HE2 TYR 52 HE2 TYR 52 -3.083 -12.585 24.866 399 HH TYR 52 HH TYR 52 -5.184 -12.008 25.682 400 H GLN 53 HN GLN 53 -1.206 -8.172 19.088 401 HA GLN 53 HA GLN 53 -3.600 -6.632 18.994 402 HB2 GLN 53 HB2 GLN 53 -1.174 -6.383 17.192 403 HB3 GLN 53 HB1 GLN 53 -2.360 -5.121 17.529 404 HG2 GLN 53 HG2 GLN 53 -1.750 -5.246 19.947 405 HG3 GLN 53 HG1 GLN 53 -0.494 -6.415 19.539 406 HE21 GLN 53 HE21 GLN 53 -1.308 -3.658 17.447 407 HE22 GLN 53 HE22 GLN 53 0.157 -2.832 17.678 408 H LEU 54 HN LEU 54 -1.976 -8.496 16.400 409 HA LEU 54 HA LEU 54 -3.898 -7.991 14.392 410 HB2 LEU 54 HB2 LEU 54 -2.270 -10.470 14.864 411 HB3 LEU 54 HB1 LEU 54 -3.125 -10.105 13.368 412 HG LEU 54 HG LEU 54 -1.000 -8.349 14.612 413 HD11 LEU 54 HD11 LEU 54 -0.272 -10.635 13.666 414 HD12 LEU 54 HD12 LEU 54 0.538 -9.216 13.013 415 HD13 LEU 54 HD13 LEU 54 -0.743 -10.001 12.089 416 HD21 LEU 54 HD21 LEU 54 -2.733 -8.141 12.164 417 HD22 LEU 54 HD22 LEU 54 -1.105 -7.473 12.112 418 HD23 LEU 54 HD23 LEU 54 -2.254 -6.885 13.304 419 H GLU 55 HN GLU 55 -3.813 -10.213 17.048 420 HA GLU 55 HA GLU 55 -6.177 -11.695 16.310 421 HB2 GLU 55 HB2 GLU 55 -4.247 -12.283 18.002 422 HB3 GLU 55 HB1 GLU 55 -5.249 -11.403 19.147 423 HG2 GLU 55 HG2 GLU 55 -6.375 -13.646 17.452 424 HG3 GLU 55 HG1 GLU 55 -5.608 -13.942 19.007 425 H ASN 56 HN ASN 56 -5.685 -8.568 17.399 426 HA ASN 56 HA ASN 56 -8.065 -8.322 19.068 427 HB2 ASN 56 HB2 ASN 56 -5.918 -6.896 19.137 428 HB3 ASN 56 HB1 ASN 56 -6.588 -6.045 17.746 429 HD21 ASN 56 HD21 ASN 56 -6.179 -5.203 20.681 430 HD22 ASN 56 HD22 ASN 56 -7.696 -4.609 21.151 431 H TYR 57 HN TYR 57 -7.416 -8.074 15.652 432 HA TYR 57 HA TYR 57 -10.020 -6.701 15.177 433 HB2 TYR 57 HB2 TYR 57 -7.995 -7.455 13.076 434 HB3 TYR 57 HB1 TYR 57 -9.164 -6.141 13.054 435 HD1 TYR 57 HD1 TYR 57 -8.833 -4.148 14.605 436 HD2 TYR 57 HD2 TYR 57 -5.893 -7.205 14.094 437 HE1 TYR 57 HE1 TYR 57 -7.128 -2.657 15.590 438 HE2 TYR 57 HE2 TYR 57 -4.165 -5.725 15.090 439 HH TYR 57 HH TYR 57 -4.814 -2.357 15.744 440 H CYS 58 HN CYS 58 -8.787 -9.818 15.365 441 HA CYS 58 HA CYS 58 -10.070 -11.119 13.189 442 HB2 CYS 58 HB2 CYS 58 -9.402 -12.135 15.959 443 HB3 CYS 58 HB1 CYS 58 -9.901 -13.155 14.613 444 H GLY 59 HN GLY 59 -12.162 -10.405 12.873 445 HA2 GLY 59 HA2 GLY 59 -14.500 -10.676 13.156 446 HA3 GLY 59 HA1 GLY 59 -14.183 -11.565 14.646
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