NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567592 | 2m99 | 19287 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 12.488 -6.582 2.146 2 HA ARG 1 HA ARG 1 10.649 -4.359 2.858 3 HB2 ARG 1 HB2 ARG 1 9.255 -5.313 0.921 4 HB3 ARG 1 HB3 ARG 1 10.611 -4.286 0.536 5 HG2 ARG 1 HG2 ARG 1 10.923 -7.285 0.439 6 HG3 ARG 1 HG3 ARG 1 10.172 -6.412 -0.878 7 HD2 ARG 1 HD2 ARG 1 12.893 -5.472 0.112 8 HD3 ARG 1 HD3 ARG 1 12.797 -6.897 -0.876 9 HE ARG 1 HE ARG 1 12.648 -4.183 -1.694 10 HH11 ARG 1 HH11 ARG 1 11.412 -7.391 -2.469 11 HH12 ARG 1 HH12 ARG 1 11.367 -7.192 -4.170 12 HH21 ARG 1 HH21 ARG 1 12.890 -3.909 -3.970 13 HH22 ARG 1 HH22 ARG 1 12.256 -5.070 -5.066 14 HA PRO 2 HA PRO 2 9.128 -7.722 5.386 15 HB2 PRO 2 HB2 PRO 2 6.925 -6.488 6.442 16 HB3 PRO 2 HB3 PRO 2 8.566 -6.104 7.002 17 HG2 PRO 2 HG2 PRO 2 6.978 -4.613 4.966 18 HG3 PRO 2 HG3 PRO 2 7.871 -3.952 6.379 19 HD2 PRO 2 HD2 PRO 2 9.071 -3.946 3.947 20 HD3 PRO 2 HD3 PRO 2 9.991 -4.418 5.391 21 H ARG 3 H ARG 3 7.540 -9.332 4.896 22 HA ARG 3 HA ARG 3 6.365 -9.277 2.342 23 HB2 ARG 3 HB2 ARG 3 5.496 -11.423 2.794 24 HB3 ARG 3 HB3 ARG 3 7.049 -11.300 3.596 25 HG2 ARG 3 HG2 ARG 3 5.899 -12.288 5.284 26 HG3 ARG 3 HG3 ARG 3 5.515 -10.620 5.712 27 HD2 ARG 3 HD2 ARG 3 3.334 -10.811 4.594 28 HD3 ARG 3 HD3 ARG 3 3.748 -12.405 3.977 29 HE ARG 3 HE ARG 3 2.863 -11.683 6.663 30 HH11 ARG 3 HH11 ARG 3 4.440 -14.282 4.747 31 HH12 ARG 3 HH12 ARG 3 3.739 -15.527 5.732 32 HH21 ARG 3 HH21 ARG 3 2.062 -13.369 7.967 33 HH22 ARG 3 HH22 ARG 3 2.219 -15.004 7.439 34 H PHE 4 H PHE 4 5.113 -7.731 5.168 35 HA PHE 4 HA PHE 4 2.341 -8.071 4.450 36 HB2 PHE 4 HB2 PHE 4 1.833 -6.698 6.183 37 HB3 PHE 4 HB3 PHE 4 3.360 -7.327 6.726 38 HD1 PHE 4 HD2 PHE 4 1.727 -4.433 5.036 39 HD2 PHE 4 HD1 PHE 4 5.113 -5.763 7.309 40 HE1 PHE 4 HE2 PHE 4 2.342 -2.087 5.451 41 HE2 PHE 4 HE1 PHE 4 5.843 -3.397 7.587 42 HZ PHE 4 HZ PHE 4 4.452 -1.563 6.714 43 H CYS 5 H CYS 5 4.982 -6.004 3.263 44 HA CYS 5 HA CYS 5 3.243 -4.065 2.011 45 HB2 CYS 5 HB2 CYS 5 6.188 -4.694 2.083 46 HB3 CYS 5 HB3 CYS 5 5.554 -3.620 0.839 47 H GLU 6 H GLU 6 4.001 -7.270 1.129 48 HA GLU 6 HA GLU 6 3.720 -6.585 -1.788 49 HB2 GLU 6 HB2 GLU 6 4.649 -8.661 -2.297 50 HB3 GLU 6 HB3 GLU 6 5.611 -7.935 -0.986 51 HG2 GLU 6 HG2 GLU 6 4.920 -9.394 0.609 52 HG3 GLU 6 HG3 GLU 6 3.469 -9.931 -0.257 53 H LEU 7 H LEU 7 1.517 -6.962 0.547 54 HA LEU 7 HA LEU 7 -0.028 -9.157 -0.528 55 HB2 LEU 7 HB2 LEU 7 -0.740 -7.029 1.492 56 HB3 LEU 7 HB3 LEU 7 -1.620 -8.548 1.202 57 HG LEU 7 HG LEU 7 1.184 -8.217 2.336 58 HD11 LEU 7 HD11 LEU 7 -1.293 -9.370 3.638 59 HD12 LEU 7 HD12 LEU 7 -0.801 -7.675 3.794 60 HD13 LEU 7 HD13 LEU 7 0.258 -8.961 4.405 61 HD21 LEU 7 HD21 LEU 7 -0.291 -10.829 2.009 62 HD22 LEU 7 HD22 LEU 7 1.332 -10.535 2.730 63 HD23 LEU 7 HD23 LEU 7 1.088 -10.287 1.010 64 H ALA 8 H ALA 8 -2.261 -8.829 -1.024 65 HA ALA 8 HA ALA 8 -2.577 -6.827 -3.187 66 HB1 ALA 8 HB1 ALA 8 -3.991 -9.429 -2.567 67 HB2 ALA 8 HB2 ALA 8 -4.470 -8.312 -3.845 68 HB3 ALA 8 HB3 ALA 8 -2.873 -9.084 -3.912 69 HA PRO 9 HA PRO 9 -5.081 -4.945 0.076 70 HB2 PRO 9 HB2 PRO 9 -5.601 -2.539 -1.078 71 HB3 PRO 9 HB3 PRO 9 -4.054 -2.954 -0.294 72 HG2 PRO 9 HG2 PRO 9 -4.748 -3.022 -3.247 73 HG3 PRO 9 HG3 PRO 9 -3.268 -2.390 -2.462 74 HD2 PRO 9 HD2 PRO 9 -3.437 -4.868 -3.597 75 HD3 PRO 9 HD3 PRO 9 -2.367 -4.516 -2.211 76 H SER 10 H SER 10 -6.802 -6.397 -0.153 77 HA SER 10 HA SER 10 -8.603 -6.589 -2.266 78 HB2 SER 10 HB2 SER 10 -8.116 -8.344 -0.604 79 HB3 SER 10 HB3 SER 10 -9.022 -7.434 0.618 80 HG SER 10 HG SER 10 -10.128 -9.172 -0.691 81 H ALA 11 H ALA 11 -8.919 -4.173 -2.502 82 HA ALA 11 HA ALA 11 -10.705 -2.746 -0.772 83 HB1 ALA 11 HB1 ALA 11 -9.980 -2.266 -3.697 84 HB2 ALA 11 HB2 ALA 11 -10.705 -1.081 -2.588 85 HB3 ALA 11 HB3 ALA 11 -9.060 -1.677 -2.292 86 H GLY 12 H GLY 12 -11.330 -5.087 -3.345 87 HA2 GLY 12 HA2 GLY 12 -13.963 -4.209 -4.041 88 HA3 GLY 12 HA3 GLY 12 -13.252 -5.803 -4.336 89 H SER 13 H SER 13 -12.892 -5.578 -1.122 90 HA SER 13 HA SER 13 -14.848 -7.449 -0.443 91 HB2 SER 13 HB2 SER 13 -13.466 -5.423 1.342 92 HB3 SER 13 HB3 SER 13 -14.293 -6.892 1.892 93 HG SER 13 HG SER 13 -11.928 -6.715 0.305 94 H CYS 14 H CYS 14 -15.108 -3.821 -0.139 95 HA CYS 14 HA CYS 14 -18.029 -4.087 -0.001 96 HB2 CYS 14 HB2 CYS 14 -16.459 -2.481 2.056 97 HB3 CYS 14 HB3 CYS 14 -18.203 -2.507 1.850 98 H PHE 15 H PHE 15 -18.986 -1.744 -0.150 99 HA PHE 15 HA PHE 15 -17.513 -0.461 -2.338 100 HB2 PHE 15 HB2 PHE 15 -19.994 -0.919 -2.370 101 HB3 PHE 15 HB3 PHE 15 -20.180 0.333 -1.148 102 HD1 PHE 15 HD1 PHE 15 -19.225 2.738 -1.732 103 HD2 PHE 15 HD2 PHE 15 -19.923 -0.378 -4.642 104 HE1 PHE 15 HE1 PHE 15 -19.118 4.405 -3.552 105 HE2 PHE 15 HE2 PHE 15 -19.934 1.326 -6.442 106 HZ PHE 15 HZ PHE 15 -19.544 3.709 -5.901 107 H ALA 16 H ALA 16 -15.844 0.911 -1.648 108 HA ALA 16 HA ALA 16 -16.664 3.115 0.026 109 HB1 ALA 16 HB1 ALA 16 -14.569 1.133 0.921 110 HB2 ALA 16 HB2 ALA 16 -14.621 2.798 1.541 111 HB3 ALA 16 HB3 ALA 16 -15.984 1.693 1.815 112 H PHE 17 H PHE 17 -15.081 4.823 0.103 113 HA PHE 17 HA PHE 17 -13.123 4.728 -2.111 114 HB2 PHE 17 HB2 PHE 17 -15.442 5.862 -2.597 115 HB3 PHE 17 HB3 PHE 17 -14.758 7.224 -1.730 116 HD1 PHE 17 HD2 PHE 17 -11.758 6.613 -2.835 117 HD2 PHE 17 HD1 PHE 17 -15.650 7.048 -4.678 118 HE1 PHE 17 HE2 PHE 17 -10.696 7.140 -4.963 119 HE2 PHE 17 HE1 PHE 17 -14.539 7.628 -6.814 120 HZ PHE 17 HZ PHE 17 -12.051 7.596 -6.970 121 H VAL 18 H VAL 18 -11.328 4.699 -0.853 122 HA VAL 18 HA VAL 18 -10.739 7.076 0.723 123 HB VAL 18 HB VAL 18 -9.594 5.574 2.465 124 HG11 VAL 18 HG11 VAL 18 -11.475 7.145 2.864 125 HG12 VAL 18 HG12 VAL 18 -12.627 5.850 2.497 126 HG13 VAL 18 HG13 VAL 18 -11.542 5.718 3.897 127 HG21 VAL 18 HG21 VAL 18 -10.816 3.519 3.078 128 HG22 VAL 18 HG22 VAL 18 -11.804 3.646 1.610 129 HG23 VAL 18 HG23 VAL 18 -10.055 3.354 1.494 130 HA PRO 19 HA PRO 19 -7.532 5.929 -2.303 131 HB2 PRO 19 HB2 PRO 19 -6.312 8.368 -2.572 132 HB3 PRO 19 HB3 PRO 19 -7.850 7.943 -3.391 133 HG2 PRO 19 HG2 PRO 19 -7.479 9.495 -0.814 134 HG3 PRO 19 HG3 PRO 19 -8.516 9.898 -2.208 135 HD2 PRO 19 HD2 PRO 19 -9.500 8.656 0.013 136 HD3 PRO 19 HD3 PRO 19 -10.106 8.243 -1.624 137 H SER 20 H SER 20 -5.791 4.840 -1.532 138 HA SER 20 HA SER 20 -4.165 6.008 0.632 139 HB2 SER 20 HB2 SER 20 -5.066 3.117 0.501 140 HB3 SER 20 HB3 SER 20 -3.996 3.836 1.678 141 HG SER 20 HG SER 20 -5.729 5.320 2.167 142 H TYR 21 H TYR 21 -2.075 4.259 0.779 143 HA TYR 21 HA TYR 21 -0.817 4.564 -1.926 144 HB2 TYR 21 HB2 TYR 21 0.088 5.000 0.869 145 HB3 TYR 21 HB3 TYR 21 1.271 4.346 -0.233 146 HD1 TYR 21 HD2 TYR 21 2.002 5.712 -2.304 147 HD2 TYR 21 HD1 TYR 21 -0.588 7.259 0.806 148 HE1 TYR 21 HE2 TYR 21 2.362 7.984 -3.129 149 HE2 TYR 21 HE1 TYR 21 -0.143 9.555 0.014 150 HH TYR 21 HH TYR 21 1.931 10.296 -2.799 151 H TYR 22 H TYR 22 0.088 2.918 -2.925 152 HA TYR 22 HA TYR 22 0.037 0.199 -1.831 153 HB2 TYR 22 HB2 TYR 22 -1.021 1.124 -4.123 154 HB3 TYR 22 HB3 TYR 22 0.630 1.207 -4.659 155 HD1 TYR 22 HD1 TYR 22 1.938 -0.896 -5.052 156 HD2 TYR 22 HD2 TYR 22 -2.224 -0.918 -3.944 157 HE1 TYR 22 HE1 TYR 22 1.770 -3.242 -5.796 158 HE2 TYR 22 HE2 TYR 22 -2.416 -3.254 -4.755 159 HH TYR 22 HH TYR 22 -1.250 -5.165 -5.502 160 H TYR 23 H TYR 23 1.984 -1.065 -2.214 161 HA TYR 23 HA TYR 23 4.542 0.507 -2.418 162 HB2 TYR 23 HB2 TYR 23 4.369 -0.468 -0.243 163 HB3 TYR 23 HB3 TYR 23 3.864 -2.021 -0.891 164 HD1 TYR 23 HD1 TYR 23 6.773 0.354 -0.827 165 HD2 TYR 23 HD2 TYR 23 5.471 -3.676 -1.620 166 HE1 TYR 23 HE1 TYR 23 9.129 -0.386 -1.062 167 HE2 TYR 23 HE2 TYR 23 7.809 -4.424 -1.680 168 HH TYR 23 HH TYR 23 10.464 -2.462 -0.802 169 H ASN 24 H ASN 24 5.845 -0.018 -4.162 170 HA ASN 24 HA ASN 24 5.117 -2.442 -5.746 171 HB2 ASN 24 HB2 ASN 24 5.992 0.299 -6.722 172 HB3 ASN 24 HB3 ASN 24 5.865 -1.138 -7.725 173 HD21 ASN 24 HD21 ASN 24 3.739 -1.963 -8.278 174 HD22 ASN 24 HD22 ASN 24 2.308 -0.980 -8.020 175 H GLN 25 H GLN 25 6.711 -3.706 -4.618 176 HA GLN 25 HA GLN 25 9.419 -3.123 -4.244 177 HB2 GLN 25 HB2 GLN 25 9.747 -5.657 -4.795 178 HB3 GLN 25 HB3 GLN 25 9.000 -5.172 -3.304 179 HG2 GLN 25 HG2 GLN 25 7.369 -5.992 -5.755 180 HG3 GLN 25 HG3 GLN 25 8.049 -7.153 -4.614 181 HE21 GLN 25 HE21 GLN 25 5.309 -5.079 -5.154 182 HE22 GLN 25 HE22 GLN 25 4.668 -5.218 -3.547 183 H TYR 26 H TYR 26 7.776 -4.227 -7.216 184 HA TYR 26 HA TYR 26 9.917 -4.862 -8.831 185 HB2 TYR 26 HB2 TYR 26 7.316 -3.466 -9.518 186 HB3 TYR 26 HB3 TYR 26 8.422 -4.101 -10.715 187 HD1 TYR 26 HD1 TYR 26 5.998 -5.039 -8.066 188 HD2 TYR 26 HD2 TYR 26 8.585 -6.453 -11.200 189 HE1 TYR 26 HE1 TYR 26 4.790 -7.212 -8.073 190 HE2 TYR 26 HE2 TYR 26 7.392 -8.616 -11.226 191 HH TYR 26 HH TYR 26 5.322 -9.646 -10.596 192 H SER 27 H SER 27 8.820 -1.633 -7.895 193 HA SER 27 HA SER 27 11.035 -0.487 -9.527 194 HB2 SER 27 HB2 SER 27 8.621 -0.056 -10.280 195 HB3 SER 27 HB3 SER 27 8.476 0.992 -8.862 196 HG SER 27 HG SER 27 10.465 1.136 -10.891 197 H ASN 28 H ASN 28 10.658 -1.399 -6.523 198 HA ASN 28 HA ASN 28 11.200 -0.734 -4.472 199 HB2 ASN 28 HB2 ASN 28 13.386 -0.963 -5.644 200 HB3 ASN 28 HB3 ASN 28 13.354 0.736 -6.075 201 HD21 ASN 28 HD21 ASN 28 13.102 -1.255 -3.007 202 HD22 ASN 28 HD22 ASN 28 14.264 -0.249 -2.184 203 H THR 29 H THR 29 9.031 0.739 -5.218 204 HA THR 29 HA THR 29 9.427 3.107 -3.652 205 HB THR 29 HB THR 29 10.180 3.797 -5.952 206 HG1 THR 29 HG1 THR 29 9.363 5.156 -4.277 207 HG21 THR 29 HG21 THR 29 8.529 2.621 -7.353 208 HG22 THR 29 HG22 THR 29 8.520 4.368 -7.638 209 HG23 THR 29 HG23 THR 29 7.224 3.629 -6.689 210 H CYS 30 H CYS 30 7.017 4.362 -4.289 211 HA CYS 30 HA CYS 30 4.911 2.344 -3.712 212 HB2 CYS 30 HB2 CYS 30 5.382 5.000 -2.339 213 HB3 CYS 30 HB3 CYS 30 4.072 3.892 -1.979 214 H HIS 31 H HIS 31 2.741 3.318 -4.122 215 HA HIS 31 HA HIS 31 2.725 5.836 -5.632 216 HB2 HIS 31 HB2 HIS 31 3.338 3.783 -7.159 217 HB3 HIS 31 HB3 HIS 31 1.659 3.313 -6.948 218 HD1 HIS 31 HD1 HIS 31 0.564 4.027 -9.261 219 HD2 HIS 31 HD2 HIS 31 3.311 6.784 -7.628 220 HE1 HIS 31 HE1 HIS 31 0.680 5.971 -10.901 221 H SER 32 H SER 32 0.703 6.834 -5.583 222 HA SER 32 HA SER 32 -1.120 5.858 -3.598 223 HB2 SER 32 HB2 SER 32 -2.483 7.710 -4.087 224 HB3 SER 32 HB3 SER 32 -0.802 8.241 -4.108 225 HG SER 32 HG SER 32 -1.045 7.951 -6.555 226 H PHE 33 H PHE 33 -3.024 4.742 -3.735 227 HA PHE 33 HA PHE 33 -4.151 3.959 -6.331 228 HB2 PHE 33 HB2 PHE 33 -4.094 1.690 -6.060 229 HB3 PHE 33 HB3 PHE 33 -2.493 2.158 -5.534 230 HD1 PHE 33 HD2 PHE 33 -2.310 2.592 -2.909 231 HD2 PHE 33 HD1 PHE 33 -5.399 0.225 -4.722 232 HE1 PHE 33 HE2 PHE 33 -2.703 1.397 -0.727 233 HE2 PHE 33 HE1 PHE 33 -5.871 -0.829 -2.571 234 HZ PHE 33 HZ PHE 33 -4.446 -0.240 -0.536 235 H THR 34 H THR 34 -6.250 2.421 -5.535 236 HA THR 34 HA THR 34 -7.780 4.239 -3.705 237 HB THR 34 HB THR 34 -9.755 3.164 -5.011 238 HG1 THR 34 HG1 THR 34 -9.180 1.862 -6.456 239 HG21 THR 34 HG21 THR 34 -9.608 4.904 -6.724 240 HG22 THR 34 HG22 THR 34 -7.873 5.111 -6.409 241 HG23 THR 34 HG23 THR 34 -9.058 5.538 -5.164 242 H TYR 35 H TYR 35 -8.485 3.433 -1.717 243 HA TYR 35 HA TYR 35 -8.437 0.514 -1.387 244 HB2 TYR 35 HB2 TYR 35 -6.698 1.803 -0.165 245 HB3 TYR 35 HB3 TYR 35 -7.957 2.569 0.769 246 HD1 TYR 35 HD1 TYR 35 -6.665 -0.818 -0.249 247 HD2 TYR 35 HD2 TYR 35 -8.454 1.563 2.864 248 HE1 TYR 35 HE1 TYR 35 -6.020 -2.522 1.435 249 HE2 TYR 35 HE2 TYR 35 -7.891 -0.167 4.527 250 HH TYR 35 HH TYR 35 -6.785 -2.194 4.909 251 H SER 36 H SER 36 -9.857 0.024 0.828 252 HA SER 36 HA SER 36 -12.404 1.519 0.758 253 HB2 SER 36 HB2 SER 36 -11.954 -1.496 0.591 254 HB3 SER 36 HB3 SER 36 -13.525 -0.755 0.910 255 HG SER 36 HG SER 36 -13.070 -1.255 -1.337 256 H GLY 37 H GLY 37 -13.590 1.367 2.809 257 HA2 GLY 37 HA2 GLY 37 -11.992 1.399 5.133 258 HA3 GLY 37 HA3 GLY 37 -13.768 1.327 5.069 259 H CYS 38 H CYS 38 -14.456 -0.972 4.043 260 HA CYS 38 HA CYS 38 -13.558 -2.974 5.993 261 HB2 CYS 38 HB2 CYS 38 -15.697 -3.574 5.734 262 HB3 CYS 38 HB3 CYS 38 -15.904 -2.478 4.383 263 H GLY 39 H GLY 39 -12.685 -5.042 5.410 264 HA2 GLY 39 HA2 GLY 39 -11.478 -6.529 4.152 265 HA3 GLY 39 HA3 GLY 39 -11.919 -5.628 2.701 266 H GLY 40 H GLY 40 -10.027 -5.573 1.707 267 HA2 GLY 40 HA2 GLY 40 -8.006 -4.601 1.141 268 HA3 GLY 40 HA3 GLY 40 -8.106 -3.659 2.623 269 H ASN 41 H ASN 41 -5.637 -4.558 1.982 270 HA ASN 41 HA ASN 41 -5.039 -6.578 4.045 271 HB2 ASN 41 HB2 ASN 41 -4.001 -6.709 1.195 272 HB3 ASN 41 HB3 ASN 41 -3.073 -7.285 2.523 273 HD21 ASN 41 HD21 ASN 41 -6.528 -7.891 2.939 274 HD22 ASN 41 HD22 ASN 41 -6.404 -9.580 2.508 275 H ALA 42 H ALA 42 -2.767 -6.453 4.653 276 HA ALA 42 HA ALA 42 -2.172 -3.944 5.573 277 HB1 ALA 42 HB1 ALA 42 -0.167 -4.887 6.461 278 HB2 ALA 42 HB2 ALA 42 -1.451 -6.102 6.521 279 HB3 ALA 42 HB3 ALA 42 -0.173 -6.184 5.259 280 H ASN 43 H ASN 43 -1.155 -4.854 2.239 281 HA ASN 43 HA ASN 43 1.206 -3.211 2.419 282 HB2 ASN 43 HB2 ASN 43 1.562 -3.471 0.252 283 HB3 ASN 43 HB3 ASN 43 0.507 -4.873 0.464 284 HD21 ASN 43 HD21 ASN 43 1.036 -3.582 -2.131 285 HD22 ASN 43 HD22 ASN 43 -0.464 -2.796 -2.568 286 H ARG 44 H ARG 44 -1.956 -2.197 2.709 287 HA ARG 44 HA ARG 44 -1.809 0.265 1.225 288 HB2 ARG 44 HB2 ARG 44 -3.895 -0.884 1.609 289 HB3 ARG 44 HB3 ARG 44 -3.679 -0.882 3.355 290 HG2 ARG 44 HG2 ARG 44 -3.623 1.799 2.034 291 HG3 ARG 44 HG3 ARG 44 -5.143 0.947 1.941 292 HD2 ARG 44 HD2 ARG 44 -4.999 0.582 4.456 293 HD3 ARG 44 HD3 ARG 44 -3.678 1.768 4.474 294 HE ARG 44 HE ARG 44 -5.644 3.047 3.074 295 HH11 ARG 44 HH11 ARG 44 -5.645 1.554 6.289 296 HH12 ARG 44 HH12 ARG 44 -7.161 2.274 6.766 297 HH21 ARG 44 HH21 ARG 44 -7.505 4.059 3.688 298 HH22 ARG 44 HH22 ARG 44 -8.267 3.778 5.221 299 H PHE 45 H PHE 45 -1.045 2.155 1.856 300 HA PHE 45 HA PHE 45 -0.409 2.704 4.710 301 HB2 PHE 45 HB2 PHE 45 1.088 3.443 2.159 302 HB3 PHE 45 HB3 PHE 45 1.432 4.176 3.720 303 HD1 PHE 45 HD1 PHE 45 2.368 2.870 5.584 304 HD2 PHE 45 HD2 PHE 45 1.742 1.149 1.678 305 HE1 PHE 45 HE1 PHE 45 3.701 0.934 6.242 306 HE2 PHE 45 HE2 PHE 45 3.135 -0.780 2.312 307 HZ PHE 45 HZ PHE 45 4.199 -0.848 4.578 308 H ARG 46 H ARG 46 -0.195 5.067 5.084 309 HA ARG 46 HA ARG 46 -2.416 6.589 3.783 310 HB2 ARG 46 HB2 ARG 46 -2.151 8.121 5.855 311 HB3 ARG 46 HB3 ARG 46 -3.032 6.620 5.961 312 HG2 ARG 46 HG2 ARG 46 -1.586 7.138 7.921 313 HG3 ARG 46 HG3 ARG 46 -1.398 5.549 7.225 314 HD2 ARG 46 HD2 ARG 46 0.747 6.318 7.837 315 HD3 ARG 46 HD3 ARG 46 0.745 6.371 6.098 316 HE ARG 46 HE ARG 46 0.624 8.727 6.107 317 HH11 ARG 46 HH11 ARG 46 1.191 7.313 9.373 318 HH12 ARG 46 HH12 ARG 46 1.912 8.757 9.972 319 HH21 ARG 46 HH21 ARG 46 1.345 10.700 7.076 320 HH22 ARG 46 HH22 ARG 46 2.148 10.659 8.619 321 H THR 47 H THR 47 0.986 6.392 3.839 322 HA THR 47 HA THR 47 1.101 8.688 2.182 323 HB THR 47 HB THR 47 1.228 9.680 4.511 324 HG1 THR 47 HG1 THR 47 2.034 10.888 2.876 325 HG21 THR 47 HG21 THR 47 2.676 7.760 5.424 326 HG22 THR 47 HG22 THR 47 3.280 9.404 5.789 327 HG23 THR 47 HG23 THR 47 3.986 8.430 4.507 328 H ILE 48 H ILE 48 3.133 8.901 1.052 329 HA ILE 48 HA ILE 48 4.315 6.331 0.536 330 HB ILE 48 HB ILE 48 4.087 7.784 -1.280 331 HG12 ILE 48 HG12 ILE 48 7.061 7.751 -0.633 332 HG13 ILE 48 HG13 ILE 48 6.147 6.329 -1.020 333 HG21 ILE 48 HG21 ILE 48 5.799 9.867 0.163 334 HG22 ILE 48 HG22 ILE 48 5.230 9.984 -1.510 335 HG23 ILE 48 HG23 ILE 48 4.063 10.010 -0.200 336 HD11 ILE 48 HD11 ILE 48 5.474 7.341 -3.221 337 HD12 ILE 48 HD12 ILE 48 6.575 8.695 -2.877 338 HD13 ILE 48 HD13 ILE 48 7.210 7.048 -3.043 339 H ASP 49 H ASP 49 5.026 8.997 2.718 340 HA ASP 49 HA ASP 49 7.798 8.514 3.152 341 HB2 ASP 49 HB2 ASP 49 6.811 10.565 3.855 342 HB3 ASP 49 HB3 ASP 49 5.680 9.736 4.927 343 H GLU 50 H GLU 50 4.883 7.003 4.588 344 HA GLU 50 HA GLU 50 6.356 5.497 6.571 345 HB2 GLU 50 HB2 GLU 50 3.501 5.558 5.498 346 HB3 GLU 50 HB3 GLU 50 4.033 4.296 6.607 347 HG2 GLU 50 HG2 GLU 50 4.505 7.202 7.345 348 HG3 GLU 50 HG3 GLU 50 2.917 6.470 7.542 349 H CYS 51 H CYS 51 4.683 4.977 3.474 350 HA CYS 51 HA CYS 51 5.177 2.255 3.229 351 HB2 CYS 51 HB2 CYS 51 3.557 3.361 1.871 352 HB3 CYS 51 HB3 CYS 51 4.769 4.443 1.175 353 H ASN 52 H ASN 52 7.225 4.958 1.993 354 HA ASN 52 HA ASN 52 9.108 3.151 0.921 355 HB2 ASN 52 HB2 ASN 52 10.269 4.902 0.096 356 HB3 ASN 52 HB3 ASN 52 8.651 5.577 0.203 357 HD21 ASN 52 HD21 ASN 52 8.444 7.489 1.226 358 HD22 ASN 52 HD22 ASN 52 9.729 8.336 2.062 359 H ARG 53 H ARG 53 9.275 5.229 3.807 360 HA ARG 53 HA ARG 53 11.650 4.172 4.694 361 HB2 ARG 53 HB2 ARG 53 11.371 5.148 6.757 362 HB3 ARG 53 HB3 ARG 53 10.340 6.124 5.699 363 HG2 ARG 53 HG2 ARG 53 8.383 4.755 6.558 364 HG3 ARG 53 HG3 ARG 53 9.471 4.010 7.728 365 HD2 ARG 53 HD2 ARG 53 8.893 6.996 7.494 366 HD3 ARG 53 HD3 ARG 53 8.191 5.896 8.693 367 HE ARG 53 HE ARG 53 11.039 5.702 8.764 368 HH11 ARG 53 HH11 ARG 53 8.357 7.728 9.992 369 HH12 ARG 53 HH12 ARG 53 9.366 8.516 11.151 370 HH21 ARG 53 HH21 ARG 53 12.347 6.875 10.168 371 HH22 ARG 53 HH22 ARG 53 11.669 7.808 11.446 372 H THR 54 H THR 54 8.613 2.428 4.992 373 HA THR 54 HA THR 54 9.946 0.494 6.786 374 HB THR 54 HB THR 54 7.698 1.561 7.188 375 HG1 THR 54 HG1 THR 54 8.480 -0.315 8.311 376 HG21 THR 54 HG21 THR 54 6.529 -0.675 5.565 377 HG22 THR 54 HG22 THR 54 6.875 0.889 4.772 378 HG23 THR 54 HG23 THR 54 5.809 0.861 6.159 379 H CYS 55 H CYS 55 9.195 0.672 3.324 380 HA CYS 55 HA CYS 55 10.043 -2.185 3.177 381 HB2 CYS 55 HB2 CYS 55 7.750 -0.970 1.628 382 HB3 CYS 55 HB3 CYS 55 8.335 -2.624 1.476 383 H VAL 56 H VAL 56 10.409 0.997 1.808 384 HA VAL 56 HA VAL 56 11.598 -0.071 -0.687 385 HB VAL 56 HB VAL 56 11.371 2.694 0.499 386 HG11 VAL 56 HG11 VAL 56 12.225 3.635 -1.521 387 HG12 VAL 56 HG12 VAL 56 13.470 2.704 -0.699 388 HG13 VAL 56 HG13 VAL 56 12.659 2.027 -2.134 389 HG21 VAL 56 HG21 VAL 56 10.218 1.452 -2.037 390 HG22 VAL 56 HG22 VAL 56 9.305 1.698 -0.541 391 HG23 VAL 56 HG23 VAL 56 9.899 3.086 -1.441 392 H GLY 57 H GLY 57 13.169 -1.492 -0.054 393 HA2 GLY 57 HA2 GLY 57 15.113 -0.873 2.027 394 HA3 GLY 57 HA3 GLY 57 14.997 -2.330 1.026 Start of MODEL 2 1 H1 ARG 1 H ARG 1 13.184 -4.918 2.857 2 HA ARG 1 HA ARG 1 10.892 -4.218 3.163 3 HB2 ARG 1 HB2 ARG 1 10.573 -6.177 0.905 4 HB3 ARG 1 HB3 ARG 1 10.103 -4.473 1.028 5 HG2 ARG 1 HG2 ARG 1 12.348 -3.740 0.510 6 HG3 ARG 1 HG3 ARG 1 12.991 -5.378 0.659 7 HD2 ARG 1 HD2 ARG 1 11.925 -6.198 -1.197 8 HD3 ARG 1 HD3 ARG 1 10.851 -4.809 -1.380 9 HE ARG 1 HE ARG 1 13.595 -3.961 -1.516 10 HH11 ARG 1 HH11 ARG 1 11.577 -6.157 -3.409 11 HH12 ARG 1 HH12 ARG 1 12.361 -5.796 -4.915 12 HH21 ARG 1 HH21 ARG 1 14.553 -3.363 -3.476 13 HH22 ARG 1 HH22 ARG 1 14.027 -4.131 -4.943 14 HA PRO 2 HA PRO 2 9.013 -7.541 5.535 15 HB2 PRO 2 HB2 PRO 2 6.756 -6.277 6.360 16 HB3 PRO 2 HB3 PRO 2 8.368 -5.922 7.046 17 HG2 PRO 2 HG2 PRO 2 6.902 -4.404 4.870 18 HG3 PRO 2 HG3 PRO 2 7.731 -3.736 6.313 19 HD2 PRO 2 HD2 PRO 2 8.970 -3.797 3.892 20 HD3 PRO 2 HD3 PRO 2 9.865 -4.135 5.395 21 H ARG 3 H ARG 3 7.387 -9.084 5.255 22 HA ARG 3 HA ARG 3 6.426 -9.382 2.589 23 HB2 ARG 3 HB2 ARG 3 5.660 -11.477 3.223 24 HB3 ARG 3 HB3 ARG 3 7.067 -11.182 4.223 25 HG2 ARG 3 HG2 ARG 3 5.791 -11.894 5.938 26 HG3 ARG 3 HG3 ARG 3 5.082 -10.289 5.917 27 HD2 ARG 3 HD2 ARG 3 3.209 -11.760 5.873 28 HD3 ARG 3 HD3 ARG 3 3.376 -11.235 4.200 29 HE ARG 3 HE ARG 3 3.992 -13.358 3.549 30 HH11 ARG 3 HH11 ARG 3 4.075 -13.219 7.115 31 HH12 ARG 3 HH12 ARG 3 4.300 -14.925 7.305 32 HH21 ARG 3 HH21 ARG 3 4.108 -15.658 3.826 33 HH22 ARG 3 HH22 ARG 3 4.204 -16.341 5.411 34 H PHE 4 H PHE 4 4.930 -7.792 5.338 35 HA PHE 4 HA PHE 4 2.239 -8.115 4.394 36 HB2 PHE 4 HB2 PHE 4 1.627 -6.522 6.023 37 HB3 PHE 4 HB3 PHE 4 2.860 -7.523 6.726 38 HD1 PHE 4 HD2 PHE 4 2.356 -4.225 4.959 39 HD2 PHE 4 HD1 PHE 4 4.670 -6.488 7.813 40 HE1 PHE 4 HE2 PHE 4 3.715 -2.196 5.482 41 HE2 PHE 4 HE1 PHE 4 5.963 -4.448 8.371 42 HZ PHE 4 HZ PHE 4 5.478 -2.296 7.221 43 H CYS 5 H CYS 5 4.897 -5.981 3.405 44 HA CYS 5 HA CYS 5 3.220 -4.012 2.160 45 HB2 CYS 5 HB2 CYS 5 6.029 -4.453 2.685 46 HB3 CYS 5 HB3 CYS 5 5.838 -4.103 0.983 47 H GLU 6 H GLU 6 4.043 -7.255 1.212 48 HA GLU 6 HA GLU 6 3.676 -6.507 -1.654 49 HB2 GLU 6 HB2 GLU 6 4.911 -8.360 -2.245 50 HB3 GLU 6 HB3 GLU 6 5.751 -7.559 -0.925 51 HG2 GLU 6 HG2 GLU 6 5.232 -9.243 0.623 52 HG3 GLU 6 HG3 GLU 6 4.116 -10.049 -0.490 53 H LEU 7 H LEU 7 1.452 -6.894 0.432 54 HA LEU 7 HA LEU 7 0.086 -9.270 -0.596 55 HB2 LEU 7 HB2 LEU 7 -0.843 -7.175 1.387 56 HB3 LEU 7 HB3 LEU 7 -1.618 -8.731 1.050 57 HG LEU 7 HG LEU 7 1.074 -8.249 2.377 58 HD11 LEU 7 HD11 LEU 7 -0.952 -7.750 3.721 59 HD12 LEU 7 HD12 LEU 7 -0.031 -9.109 4.384 60 HD13 LEU 7 HD13 LEU 7 -1.524 -9.407 3.467 61 HD21 LEU 7 HD21 LEU 7 1.235 -10.348 1.144 62 HD22 LEU 7 HD22 LEU 7 -0.252 -10.934 1.961 63 HD23 LEU 7 HD23 LEU 7 1.225 -10.582 2.888 64 H ALA 8 H ALA 8 -2.247 -8.965 -1.211 65 HA ALA 8 HA ALA 8 -2.458 -6.877 -3.312 66 HB1 ALA 8 HB1 ALA 8 -2.706 -9.182 -4.067 67 HB2 ALA 8 HB2 ALA 8 -4.015 -9.451 -2.891 68 HB3 ALA 8 HB3 ALA 8 -4.241 -8.309 -4.230 69 HA PRO 9 HA PRO 9 -5.147 -5.022 -0.228 70 HB2 PRO 9 HB2 PRO 9 -5.931 -2.748 -1.544 71 HB3 PRO 9 HB3 PRO 9 -4.354 -2.972 -0.714 72 HG2 PRO 9 HG2 PRO 9 -5.000 -3.261 -3.656 73 HG3 PRO 9 HG3 PRO 9 -3.592 -2.464 -2.874 74 HD2 PRO 9 HD2 PRO 9 -3.511 -5.014 -3.906 75 HD3 PRO 9 HD3 PRO 9 -2.523 -4.524 -2.504 76 H SER 10 H SER 10 -6.882 -6.389 -0.088 77 HA SER 10 HA SER 10 -8.793 -6.903 -2.120 78 HB2 SER 10 HB2 SER 10 -8.045 -8.433 -0.262 79 HB3 SER 10 HB3 SER 10 -9.012 -7.470 0.857 80 HG SER 10 HG SER 10 -10.206 -9.239 0.098 81 H ALA 11 H ALA 11 -8.879 -4.250 -2.169 82 HA ALA 11 HA ALA 11 -10.692 -2.911 -0.427 83 HB1 ALA 11 HB1 ALA 11 -9.695 -2.271 -3.235 84 HB2 ALA 11 HB2 ALA 11 -10.629 -1.151 -2.230 85 HB3 ALA 11 HB3 ALA 11 -9.027 -1.694 -1.701 86 H GLY 12 H GLY 12 -11.380 -5.076 -3.110 87 HA2 GLY 12 HA2 GLY 12 -13.950 -3.974 -3.778 88 HA3 GLY 12 HA3 GLY 12 -13.349 -5.589 -4.179 89 H SER 13 H SER 13 -13.001 -5.480 -0.929 90 HA SER 13 HA SER 13 -15.106 -7.266 -0.359 91 HB2 SER 13 HB2 SER 13 -13.463 -5.539 1.518 92 HB3 SER 13 HB3 SER 13 -14.416 -6.958 1.986 93 HG SER 13 HG SER 13 -12.093 -6.867 0.342 94 H CYS 14 H CYS 14 -14.995 -3.690 0.083 95 HA CYS 14 HA CYS 14 -17.912 -3.697 0.584 96 HB2 CYS 14 HB2 CYS 14 -15.846 -2.351 2.370 97 HB3 CYS 14 HB3 CYS 14 -17.544 -1.919 2.324 98 H PHE 15 H PHE 15 -18.778 -1.410 0.370 99 HA PHE 15 HA PHE 15 -17.368 -0.198 -1.946 100 HB2 PHE 15 HB2 PHE 15 -19.784 -0.953 -2.077 101 HB3 PHE 15 HB3 PHE 15 -20.178 0.359 -0.967 102 HD1 PHE 15 HD1 PHE 15 -19.246 2.792 -1.697 103 HD2 PHE 15 HD2 PHE 15 -19.810 -0.556 -4.377 104 HE1 PHE 15 HE1 PHE 15 -19.122 4.312 -3.614 105 HE2 PHE 15 HE2 PHE 15 -19.854 1.011 -6.296 106 HZ PHE 15 HZ PHE 15 -19.520 3.437 -5.924 107 H ALA 16 H ALA 16 -15.909 1.295 -1.263 108 HA ALA 16 HA ALA 16 -16.873 3.574 0.253 109 HB1 ALA 16 HB1 ALA 16 -14.438 2.016 1.175 110 HB2 ALA 16 HB2 ALA 16 -15.059 3.509 1.890 111 HB3 ALA 16 HB3 ALA 16 -16.000 1.995 2.012 112 H PHE 17 H PHE 17 -15.084 5.290 0.166 113 HA PHE 17 HA PHE 17 -13.282 4.910 -2.177 114 HB2 PHE 17 HB2 PHE 17 -15.516 6.101 -2.665 115 HB3 PHE 17 HB3 PHE 17 -14.851 7.471 -1.797 116 HD1 PHE 17 HD2 PHE 17 -11.907 7.233 -2.786 117 HD2 PHE 17 HD1 PHE 17 -15.691 6.953 -4.852 118 HE1 PHE 17 HE2 PHE 17 -10.810 7.875 -4.873 119 HE2 PHE 17 HE1 PHE 17 -14.583 7.730 -6.930 120 HZ PHE 17 HZ PHE 17 -12.144 8.188 -6.944 121 H VAL 18 H VAL 18 -11.398 4.766 -0.956 122 HA VAL 18 HA VAL 18 -10.663 7.203 0.533 123 HB VAL 18 HB VAL 18 -9.577 5.689 2.277 124 HG11 VAL 18 HG11 VAL 18 -11.493 7.240 2.660 125 HG12 VAL 18 HG12 VAL 18 -12.614 5.915 2.315 126 HG13 VAL 18 HG13 VAL 18 -11.517 5.822 3.706 127 HG21 VAL 18 HG21 VAL 18 -10.787 3.616 2.856 128 HG22 VAL 18 HG22 VAL 18 -11.783 3.761 1.395 129 HG23 VAL 18 HG23 VAL 18 -10.033 3.464 1.267 130 HA PRO 19 HA PRO 19 -7.538 5.918 -2.533 131 HB2 PRO 19 HB2 PRO 19 -6.228 8.337 -2.788 132 HB3 PRO 19 HB3 PRO 19 -7.699 7.876 -3.704 133 HG2 PRO 19 HG2 PRO 19 -7.524 9.518 -1.167 134 HG3 PRO 19 HG3 PRO 19 -8.454 9.853 -2.659 135 HD2 PRO 19 HD2 PRO 19 -9.597 8.723 -0.461 136 HD3 PRO 19 HD3 PRO 19 -10.077 8.207 -2.109 137 H SER 20 H SER 20 -5.814 4.889 -1.816 138 HA SER 20 HA SER 20 -4.374 5.921 0.585 139 HB2 SER 20 HB2 SER 20 -5.063 3.031 0.096 140 HB3 SER 20 HB3 SER 20 -4.217 3.732 1.493 141 HG SER 20 HG SER 20 -6.854 4.456 0.693 142 H TYR 21 H TYR 21 -2.152 4.228 0.696 143 HA TYR 21 HA TYR 21 -0.948 4.606 -2.030 144 HB2 TYR 21 HB2 TYR 21 0.032 5.062 0.701 145 HB3 TYR 21 HB3 TYR 21 1.192 4.384 -0.462 146 HD1 TYR 21 HD2 TYR 21 2.105 5.727 -2.330 147 HD2 TYR 21 HD1 TYR 21 -0.676 7.321 0.561 148 HE1 TYR 21 HE2 TYR 21 2.558 7.993 -3.156 149 HE2 TYR 21 HE1 TYR 21 -0.051 9.583 -0.078 150 HH TYR 21 HH TYR 21 1.517 10.903 -1.358 151 H TYR 22 H TYR 22 -0.017 3.019 -3.001 152 HA TYR 22 HA TYR 22 -0.163 0.251 -2.000 153 HB2 TYR 22 HB2 TYR 22 -1.181 1.305 -4.261 154 HB3 TYR 22 HB3 TYR 22 0.482 1.280 -4.804 155 HD1 TYR 22 HD1 TYR 22 1.687 -1.018 -4.985 156 HD2 TYR 22 HD2 TYR 22 -2.549 -0.588 -4.314 157 HE1 TYR 22 HE1 TYR 22 1.390 -3.355 -5.548 158 HE2 TYR 22 HE2 TYR 22 -2.903 -2.859 -5.110 159 HH TYR 22 HH TYR 22 -1.922 -4.753 -6.009 160 H TYR 23 H TYR 23 1.723 -1.029 -2.443 161 HA TYR 23 HA TYR 23 4.345 0.435 -2.620 162 HB2 TYR 23 HB2 TYR 23 4.104 -0.498 -0.402 163 HB3 TYR 23 HB3 TYR 23 3.652 -2.068 -1.063 164 HD1 TYR 23 HD1 TYR 23 6.469 0.458 -1.209 165 HD2 TYR 23 HD2 TYR 23 5.344 -3.702 -1.533 166 HE1 TYR 23 HE1 TYR 23 8.836 -0.179 -1.351 167 HE2 TYR 23 HE2 TYR 23 7.728 -4.329 -1.501 168 HH TYR 23 HH TYR 23 10.259 -2.331 -0.826 169 H ASN 24 H ASN 24 5.711 -0.180 -4.258 170 HA ASN 24 HA ASN 24 5.052 -2.691 -5.754 171 HB2 ASN 24 HB2 ASN 24 5.821 0.034 -6.868 172 HB3 ASN 24 HB3 ASN 24 5.930 -1.466 -7.787 173 HD21 ASN 24 HD21 ASN 24 4.165 0.960 -8.198 174 HD22 ASN 24 HD22 ASN 24 2.524 0.318 -8.189 175 H GLN 25 H GLN 25 6.600 -3.862 -4.622 176 HA GLN 25 HA GLN 25 9.274 -3.194 -4.118 177 HB2 GLN 25 HB2 GLN 25 9.682 -5.754 -4.497 178 HB3 GLN 25 HB3 GLN 25 8.806 -5.209 -3.108 179 HG2 GLN 25 HG2 GLN 25 7.462 -6.200 -5.672 180 HG3 GLN 25 HG3 GLN 25 7.916 -7.241 -4.318 181 HE21 GLN 25 HE21 GLN 25 5.182 -5.597 -5.519 182 HE22 GLN 25 HE22 GLN 25 4.441 -5.235 -4.005 183 H TYR 26 H TYR 26 7.840 -4.481 -7.095 184 HA TYR 26 HA TYR 26 10.043 -5.143 -8.604 185 HB2 TYR 26 HB2 TYR 26 7.590 -3.622 -9.598 186 HB3 TYR 26 HB3 TYR 26 8.631 -4.674 -10.536 187 HD1 TYR 26 HD2 TYR 26 8.625 -7.163 -10.120 188 HD2 TYR 26 HD1 TYR 26 5.745 -4.517 -8.285 189 HE1 TYR 26 HE2 TYR 26 7.140 -9.092 -9.686 190 HE2 TYR 26 HE1 TYR 26 4.277 -6.461 -7.818 191 HH TYR 26 HH TYR 26 3.875 -8.741 -8.260 192 H SER 27 H SER 27 8.792 -1.897 -7.900 193 HA SER 27 HA SER 27 10.967 -0.648 -9.488 194 HB2 SER 27 HB2 SER 27 8.521 -0.377 -10.137 195 HB3 SER 27 HB3 SER 27 8.290 0.502 -8.631 196 HG SER 27 HG SER 27 8.660 1.767 -10.507 197 H ASN 28 H ASN 28 10.506 -1.569 -6.425 198 HA ASN 28 HA ASN 28 10.979 -0.874 -4.356 199 HB2 ASN 28 HB2 ASN 28 13.192 -1.264 -5.473 200 HB3 ASN 28 HB3 ASN 28 13.290 0.464 -5.800 201 HD21 ASN 28 HD21 ASN 28 12.415 -1.519 -2.828 202 HD22 ASN 28 HD22 ASN 28 13.705 -0.744 -1.899 203 H THR 29 H THR 29 8.884 0.564 -5.078 204 HA THR 29 HA THR 29 9.319 3.074 -3.739 205 HB THR 29 HB THR 29 9.933 3.461 -6.181 206 HG1 THR 29 HG1 THR 29 9.260 5.418 -6.036 207 HG21 THR 29 HG21 THR 29 6.923 3.349 -6.650 208 HG22 THR 29 HG22 THR 29 8.109 2.178 -7.265 209 HG23 THR 29 HG23 THR 29 8.161 3.868 -7.791 210 H CYS 30 H CYS 30 6.945 4.299 -4.125 211 HA CYS 30 HA CYS 30 4.817 2.302 -3.612 212 HB2 CYS 30 HB2 CYS 30 5.122 4.926 -2.152 213 HB3 CYS 30 HB3 CYS 30 4.016 3.623 -1.765 214 H HIS 31 H HIS 31 2.662 3.296 -4.096 215 HA HIS 31 HA HIS 31 2.738 5.799 -5.646 216 HB2 HIS 31 HB2 HIS 31 3.324 3.681 -7.097 217 HB3 HIS 31 HB3 HIS 31 1.627 3.260 -6.901 218 HD1 HIS 31 HD1 HIS 31 0.655 3.858 -9.297 219 HD2 HIS 31 HD2 HIS 31 3.357 6.656 -7.658 220 HE1 HIS 31 HE1 HIS 31 0.881 5.706 -11.024 221 H SER 32 H SER 32 0.723 6.895 -5.505 222 HA SER 32 HA SER 32 -1.126 5.877 -3.576 223 HB2 SER 32 HB2 SER 32 -2.516 7.794 -4.386 224 HB3 SER 32 HB3 SER 32 -0.946 8.167 -3.674 225 HG SER 32 HG SER 32 -0.548 9.227 -5.409 226 H PHE 33 H PHE 33 -3.183 5.005 -3.829 227 HA PHE 33 HA PHE 33 -4.216 4.275 -6.465 228 HB2 PHE 33 HB2 PHE 33 -4.180 1.982 -6.236 229 HB3 PHE 33 HB3 PHE 33 -2.593 2.431 -5.649 230 HD1 PHE 33 HD2 PHE 33 -2.489 2.817 -2.986 231 HD2 PHE 33 HD1 PHE 33 -5.396 0.396 -5.016 232 HE1 PHE 33 HE2 PHE 33 -3.032 1.652 -0.840 233 HE2 PHE 33 HE1 PHE 33 -5.901 -0.772 -2.924 234 HZ PHE 33 HZ PHE 33 -4.672 -0.128 -0.798 235 H THR 34 H THR 34 -6.323 2.742 -5.840 236 HA THR 34 HA THR 34 -7.941 4.453 -4.004 237 HB THR 34 HB THR 34 -9.840 3.342 -5.317 238 HG1 THR 34 HG1 THR 34 -7.818 3.058 -7.302 239 HG21 THR 34 HG21 THR 34 -9.716 5.035 -7.090 240 HG22 THR 34 HG22 THR 34 -7.986 5.292 -6.755 241 HG23 THR 34 HG23 THR 34 -9.207 5.726 -5.546 242 H TYR 35 H TYR 35 -8.664 3.596 -2.085 243 HA TYR 35 HA TYR 35 -8.603 0.652 -1.842 244 HB2 TYR 35 HB2 TYR 35 -6.713 1.841 -0.751 245 HB3 TYR 35 HB3 TYR 35 -7.891 2.633 0.287 246 HD1 TYR 35 HD1 TYR 35 -6.843 -0.859 -0.711 247 HD2 TYR 35 HD2 TYR 35 -8.242 1.773 2.407 248 HE1 TYR 35 HE1 TYR 35 -6.318 -2.581 0.989 249 HE2 TYR 35 HE2 TYR 35 -7.751 0.057 4.091 250 HH TYR 35 HH TYR 35 -6.710 -1.961 4.493 251 H SER 36 H SER 36 -9.944 0.070 0.342 252 HA SER 36 HA SER 36 -12.417 1.685 0.454 253 HB2 SER 36 HB2 SER 36 -12.623 -0.305 -1.050 254 HB3 SER 36 HB3 SER 36 -12.260 -1.342 0.346 255 HG SER 36 HG SER 36 -14.523 -0.969 -0.228 256 H GLY 37 H GLY 37 -13.738 0.850 2.478 257 HA2 GLY 37 HA2 GLY 37 -12.051 1.265 4.780 258 HA3 GLY 37 HA3 GLY 37 -13.791 0.983 4.781 259 H CYS 38 H CYS 38 -14.460 -1.320 4.273 260 HA CYS 38 HA CYS 38 -13.092 -3.059 6.139 261 HB2 CYS 38 HB2 CYS 38 -14.957 -4.253 6.148 262 HB3 CYS 38 HB3 CYS 38 -15.649 -2.871 5.345 263 H GLY 39 H GLY 39 -12.727 -5.440 5.482 264 HA2 GLY 39 HA2 GLY 39 -11.429 -6.976 4.361 265 HA3 GLY 39 HA3 GLY 39 -11.890 -6.149 2.859 266 H GLY 40 H GLY 40 -10.097 -5.753 1.746 267 HA2 GLY 40 HA2 GLY 40 -8.079 -4.778 1.182 268 HA3 GLY 40 HA3 GLY 40 -8.178 -3.882 2.688 269 H ASN 41 H ASN 41 -5.669 -4.729 1.935 270 HA ASN 41 HA ASN 41 -5.010 -6.752 3.990 271 HB2 ASN 41 HB2 ASN 41 -4.068 -6.920 1.109 272 HB3 ASN 41 HB3 ASN 41 -3.087 -7.456 2.436 273 HD21 ASN 41 HD21 ASN 41 -6.529 -8.105 3.005 274 HD22 ASN 41 HD22 ASN 41 -6.366 -9.799 2.647 275 H ALA 42 H ALA 42 -2.778 -6.544 4.660 276 HA ALA 42 HA ALA 42 -2.209 -3.971 5.415 277 HB1 ALA 42 HB1 ALA 42 -1.499 -5.968 6.594 278 HB2 ALA 42 HB2 ALA 42 -0.342 -6.330 5.276 279 HB3 ALA 42 HB3 ALA 42 -0.122 -4.891 6.291 280 H ASN 43 H ASN 43 -1.329 -4.978 2.092 281 HA ASN 43 HA ASN 43 1.137 -3.472 2.234 282 HB2 ASN 43 HB2 ASN 43 1.431 -3.607 0.068 283 HB3 ASN 43 HB3 ASN 43 0.378 -5.008 0.240 284 HD21 ASN 43 HD21 ASN 43 1.038 -3.349 -2.189 285 HD22 ASN 43 HD22 ASN 43 -0.527 -2.738 -2.695 286 H ARG 44 H ARG 44 -2.170 -2.468 2.239 287 HA ARG 44 HA ARG 44 -1.767 0.128 1.117 288 HB2 ARG 44 HB2 ARG 44 -3.941 -0.945 1.164 289 HB3 ARG 44 HB3 ARG 44 -3.923 -1.083 2.924 290 HG2 ARG 44 HG2 ARG 44 -3.602 1.660 1.711 291 HG3 ARG 44 HG3 ARG 44 -5.168 0.902 1.624 292 HD2 ARG 44 HD2 ARG 44 -5.059 0.555 4.158 293 HD3 ARG 44 HD3 ARG 44 -3.651 1.636 4.161 294 HE ARG 44 HE ARG 44 -5.663 2.920 2.702 295 HH11 ARG 44 HH11 ARG 44 -5.154 1.988 6.103 296 HH12 ARG 44 HH12 ARG 44 -6.366 3.091 6.686 297 HH21 ARG 44 HH21 ARG 44 -7.120 4.348 3.448 298 HH22 ARG 44 HH22 ARG 44 -7.678 4.328 5.102 299 H PHE 45 H PHE 45 -0.897 1.846 2.021 300 HA PHE 45 HA PHE 45 -1.000 2.245 4.937 301 HB2 PHE 45 HB2 PHE 45 1.515 2.118 3.373 302 HB3 PHE 45 HB3 PHE 45 1.347 3.386 4.588 303 HD1 PHE 45 HD2 PHE 45 0.873 -0.344 4.219 304 HD2 PHE 45 HD1 PHE 45 1.962 2.962 6.787 305 HE1 PHE 45 HE2 PHE 45 1.366 -1.911 6.042 306 HE2 PHE 45 HE1 PHE 45 2.544 1.365 8.571 307 HZ PHE 45 HZ PHE 45 2.265 -1.079 8.203 308 H ARG 46 H ARG 46 -0.002 4.839 4.923 309 HA ARG 46 HA ARG 46 -2.194 6.230 3.442 310 HB2 ARG 46 HB2 ARG 46 -2.073 7.787 5.531 311 HB3 ARG 46 HB3 ARG 46 -2.908 6.254 5.612 312 HG2 ARG 46 HG2 ARG 46 -1.522 6.754 7.620 313 HG3 ARG 46 HG3 ARG 46 -1.199 5.200 6.875 314 HD2 ARG 46 HD2 ARG 46 0.859 6.185 7.594 315 HD3 ARG 46 HD3 ARG 46 0.880 6.152 5.855 316 HE ARG 46 HE ARG 46 0.553 8.492 5.743 317 HH11 ARG 46 HH11 ARG 46 1.172 7.292 9.082 318 HH12 ARG 46 HH12 ARG 46 1.721 8.833 9.619 319 HH21 ARG 46 HH21 ARG 46 1.026 10.606 6.636 320 HH22 ARG 46 HH22 ARG 46 1.675 10.670 8.228 321 H THR 47 H THR 47 1.172 6.109 3.594 322 HA THR 47 HA THR 47 1.280 8.454 2.012 323 HB THR 47 HB THR 47 1.276 9.568 4.272 324 HG1 THR 47 HG1 THR 47 3.094 10.904 3.652 325 HG21 THR 47 HG21 THR 47 4.112 8.522 4.476 326 HG22 THR 47 HG22 THR 47 2.805 7.744 5.325 327 HG23 THR 47 HG23 THR 47 3.227 9.444 5.689 328 H ILE 48 H ILE 48 3.158 8.684 0.815 329 HA ILE 48 HA ILE 48 4.604 6.274 0.412 330 HB ILE 48 HB ILE 48 4.234 7.812 -1.330 331 HG12 ILE 48 HG12 ILE 48 7.219 7.694 -0.791 332 HG13 ILE 48 HG13 ILE 48 6.272 6.338 -1.276 333 HG21 ILE 48 HG21 ILE 48 4.285 9.993 -0.117 334 HG22 ILE 48 HG22 ILE 48 6.046 9.839 0.061 335 HG23 ILE 48 HG23 ILE 48 5.307 10.024 -1.537 336 HD11 ILE 48 HD11 ILE 48 5.492 7.610 -3.332 337 HD12 ILE 48 HD12 ILE 48 6.708 8.843 -2.934 338 HD13 ILE 48 HD13 ILE 48 7.200 7.186 -3.308 339 H ASP 49 H ASP 49 5.136 8.995 2.628 340 HA ASP 49 HA ASP 49 7.929 8.534 3.037 341 HB2 ASP 49 HB2 ASP 49 6.911 10.598 3.769 342 HB3 ASP 49 HB3 ASP 49 5.878 9.744 4.898 343 H GLU 50 H GLU 50 5.039 7.156 4.671 344 HA GLU 50 HA GLU 50 6.535 5.677 6.609 345 HB2 GLU 50 HB2 GLU 50 3.675 5.644 5.576 346 HB3 GLU 50 HB3 GLU 50 4.223 4.491 6.781 347 HG2 GLU 50 HG2 GLU 50 4.652 7.461 7.272 348 HG3 GLU 50 HG3 GLU 50 3.075 6.719 7.523 349 H CYS 51 H CYS 51 5.017 5.066 3.441 350 HA CYS 51 HA CYS 51 5.442 2.262 3.466 351 HB2 CYS 51 HB2 CYS 51 3.778 3.116 2.107 352 HB3 CYS 51 HB3 CYS 51 4.838 4.298 1.322 353 H ASN 52 H ASN 52 7.329 4.978 2.026 354 HA ASN 52 HA ASN 52 9.218 3.195 0.915 355 HB2 ASN 52 HB2 ASN 52 10.363 4.941 0.012 356 HB3 ASN 52 HB3 ASN 52 8.746 5.579 0.104 357 HD21 ASN 52 HD21 ASN 52 8.604 7.573 0.953 358 HD22 ASN 52 HD22 ASN 52 9.844 8.434 1.828 359 H ARG 53 H ARG 53 9.352 5.276 3.750 360 HA ARG 53 HA ARG 53 11.804 4.256 4.649 361 HB2 ARG 53 HB2 ARG 53 11.537 5.303 6.685 362 HB3 ARG 53 HB3 ARG 53 10.537 6.247 5.577 363 HG2 ARG 53 HG2 ARG 53 8.562 4.878 6.451 364 HG3 ARG 53 HG3 ARG 53 9.622 4.316 7.742 365 HD2 ARG 53 HD2 ARG 53 9.074 7.261 7.095 366 HD3 ARG 53 HD3 ARG 53 8.180 6.347 8.299 367 HE ARG 53 HE ARG 53 11.035 7.181 8.422 368 HH11 ARG 53 HH11 ARG 53 8.384 5.426 10.056 369 HH12 ARG 53 HH12 ARG 53 9.185 5.408 11.589 370 HH21 ARG 53 HH21 ARG 53 11.914 7.396 10.505 371 HH22 ARG 53 HH22 ARG 53 11.379 6.346 11.775 372 H THR 54 H THR 54 8.701 2.544 4.921 373 HA THR 54 HA THR 54 10.020 0.574 6.662 374 HB THR 54 HB THR 54 7.796 1.483 7.211 375 HG1 THR 54 HG1 THR 54 7.947 -1.307 6.870 376 HG21 THR 54 HG21 THR 54 6.460 -0.561 5.476 377 HG22 THR 54 HG22 THR 54 6.913 0.964 4.702 378 HG23 THR 54 HG23 THR 54 5.853 0.993 6.099 379 H CYS 55 H CYS 55 9.273 0.779 3.193 380 HA CYS 55 HA CYS 55 10.053 -2.091 3.000 381 HB2 CYS 55 HB2 CYS 55 7.871 -0.740 1.381 382 HB3 CYS 55 HB3 CYS 55 8.322 -2.449 1.343 383 H VAL 56 H VAL 56 10.613 1.099 1.833 384 HA VAL 56 HA VAL 56 11.647 0.128 -0.770 385 HB VAL 56 HB VAL 56 11.364 2.893 0.367 386 HG11 VAL 56 HG11 VAL 56 13.305 3.115 -0.952 387 HG12 VAL 56 HG12 VAL 56 12.622 2.089 -2.238 388 HG13 VAL 56 HG13 VAL 56 11.943 3.707 -1.907 389 HG21 VAL 56 HG21 VAL 56 9.293 1.718 -0.515 390 HG22 VAL 56 HG22 VAL 56 9.731 3.132 -1.475 391 HG23 VAL 56 HG23 VAL 56 10.139 1.509 -2.063 392 H GLY 57 H GLY 57 13.036 -1.328 0.200 393 HA2 GLY 57 HA2 GLY 57 15.275 -1.925 0.314 394 HA3 GLY 57 HA3 GLY 57 15.732 -0.239 0.542 Start of MODEL 3 1 H1 ARG 1 H ARG 1 13.112 -4.871 2.544 2 HA ARG 1 HA ARG 1 10.930 -4.189 3.058 3 HB2 ARG 1 HB2 ARG 1 10.369 -6.121 0.801 4 HB3 ARG 1 HB3 ARG 1 9.688 -4.532 1.141 5 HG2 ARG 1 HG2 ARG 1 10.977 -3.842 -0.475 6 HG3 ARG 1 HG3 ARG 1 12.308 -3.843 0.696 7 HD2 ARG 1 HD2 ARG 1 13.039 -6.032 -0.226 8 HD3 ARG 1 HD3 ARG 1 11.576 -6.061 -1.237 9 HE ARG 1 HE ARG 1 13.662 -3.962 -1.450 10 HH11 ARG 1 HH11 ARG 1 11.999 -6.597 -3.105 11 HH12 ARG 1 HH12 ARG 1 12.317 -5.981 -4.703 12 HH21 ARG 1 HH21 ARG 1 14.207 -3.216 -3.507 13 HH22 ARG 1 HH22 ARG 1 13.574 -4.001 -4.917 14 HA PRO 2 HA PRO 2 9.019 -7.387 5.523 15 HB2 PRO 2 HB2 PRO 2 6.853 -6.026 6.445 16 HB3 PRO 2 HB3 PRO 2 8.499 -5.730 7.055 17 HG2 PRO 2 HG2 PRO 2 6.990 -4.169 4.938 18 HG3 PRO 2 HG3 PRO 2 7.909 -3.529 6.331 19 HD2 PRO 2 HD2 PRO 2 9.024 -3.650 3.842 20 HD3 PRO 2 HD3 PRO 2 9.979 -3.998 5.299 21 H ARG 3 H ARG 3 7.402 -8.902 5.251 22 HA ARG 3 HA ARG 3 6.327 -9.112 2.627 23 HB2 ARG 3 HB2 ARG 3 5.442 -11.144 3.217 24 HB3 ARG 3 HB3 ARG 3 6.934 -11.009 4.124 25 HG2 ARG 3 HG2 ARG 3 5.663 -11.876 5.787 26 HG3 ARG 3 HG3 ARG 3 5.249 -10.191 6.070 27 HD2 ARG 3 HD2 ARG 3 3.252 -11.572 6.132 28 HD3 ARG 3 HD3 ARG 3 3.150 -10.523 4.711 29 HE ARG 3 HE ARG 3 4.229 -12.683 3.574 30 HH11 ARG 3 HH11 ARG 3 1.391 -12.678 5.900 31 HH12 ARG 3 HH12 ARG 3 1.117 -14.334 5.521 32 HH21 ARG 3 HH21 ARG 3 3.397 -14.754 2.967 33 HH22 ARG 3 HH22 ARG 3 2.009 -15.362 3.797 34 H PHE 4 H PHE 4 4.944 -7.506 5.429 35 HA PHE 4 HA PHE 4 2.221 -7.787 4.555 36 HB2 PHE 4 HB2 PHE 4 1.660 -6.224 6.163 37 HB3 PHE 4 HB3 PHE 4 3.043 -7.028 6.849 38 HD1 PHE 4 HD2 PHE 4 1.902 -3.948 5.052 39 HD2 PHE 4 HD1 PHE 4 4.945 -5.738 7.501 40 HE1 PHE 4 HE2 PHE 4 2.914 -1.692 5.472 41 HE2 PHE 4 HE1 PHE 4 6.012 -3.504 7.802 42 HZ PHE 4 HZ PHE 4 4.988 -1.488 6.785 43 H CYS 5 H CYS 5 4.914 -5.863 3.405 44 HA CYS 5 HA CYS 5 3.355 -3.834 2.102 45 HB2 CYS 5 HB2 CYS 5 6.005 -4.233 2.983 46 HB3 CYS 5 HB3 CYS 5 6.153 -4.218 1.246 47 H GLU 6 H GLU 6 3.961 -7.120 1.271 48 HA GLU 6 HA GLU 6 3.663 -6.428 -1.607 49 HB2 GLU 6 HB2 GLU 6 4.961 -8.210 -2.245 50 HB3 GLU 6 HB3 GLU 6 5.814 -7.342 -0.975 51 HG2 GLU 6 HG2 GLU 6 4.868 -9.189 0.615 52 HG3 GLU 6 HG3 GLU 6 4.537 -10.093 -0.861 53 H LEU 7 H LEU 7 1.578 -6.890 0.684 54 HA LEU 7 HA LEU 7 0.217 -9.266 -0.316 55 HB2 LEU 7 HB2 LEU 7 -0.837 -7.106 1.544 56 HB3 LEU 7 HB3 LEU 7 -1.539 -8.698 1.247 57 HG LEU 7 HG LEU 7 1.041 -8.044 2.691 58 HD11 LEU 7 HD11 LEU 7 -1.152 -7.871 3.909 59 HD12 LEU 7 HD12 LEU 7 -0.043 -9.071 4.597 60 HD13 LEU 7 HD13 LEU 7 -1.419 -9.591 3.609 61 HD21 LEU 7 HD21 LEU 7 1.308 -10.476 3.116 62 HD22 LEU 7 HD22 LEU 7 1.566 -10.046 1.433 63 HD23 LEU 7 HD23 LEU 7 0.031 -10.811 1.923 64 H ALA 8 H ALA 8 -2.111 -9.009 -0.952 65 HA ALA 8 HA ALA 8 -2.330 -7.015 -3.156 66 HB1 ALA 8 HB1 ALA 8 -4.146 -8.580 -3.894 67 HB2 ALA 8 HB2 ALA 8 -2.511 -9.277 -3.942 68 HB3 ALA 8 HB3 ALA 8 -3.648 -9.707 -2.631 69 HA PRO 9 HA PRO 9 -5.141 -5.426 0.104 70 HB2 PRO 9 HB2 PRO 9 -5.724 -2.979 -0.947 71 HB3 PRO 9 HB3 PRO 9 -4.161 -3.362 -0.157 72 HG2 PRO 9 HG2 PRO 9 -4.796 -3.341 -3.127 73 HG3 PRO 9 HG3 PRO 9 -3.378 -2.638 -2.291 74 HD2 PRO 9 HD2 PRO 9 -3.343 -5.085 -3.511 75 HD3 PRO 9 HD3 PRO 9 -2.338 -4.710 -2.084 76 H SER 10 H SER 10 -6.979 -6.551 0.100 77 HA SER 10 HA SER 10 -8.785 -6.944 -2.077 78 HB2 SER 10 HB2 SER 10 -8.523 -7.664 0.809 79 HB3 SER 10 HB3 SER 10 -10.161 -7.606 0.244 80 HG SER 10 HG SER 10 -8.061 -8.975 -1.095 81 H ALA 11 H ALA 11 -8.734 -4.475 -2.465 82 HA ALA 11 HA ALA 11 -10.432 -2.704 -1.014 83 HB1 ALA 11 HB1 ALA 11 -10.081 -1.232 -2.947 84 HB2 ALA 11 HB2 ALA 11 -8.557 -2.006 -2.482 85 HB3 ALA 11 HB3 ALA 11 -9.458 -2.593 -3.901 86 H GLY 12 H GLY 12 -11.469 -5.374 -2.767 87 HA2 GLY 12 HA2 GLY 12 -13.858 -4.065 -3.968 88 HA3 GLY 12 HA3 GLY 12 -13.331 -5.737 -4.173 89 H SER 13 H SER 13 -13.095 -4.912 -0.952 90 HA SER 13 HA SER 13 -15.028 -6.714 -0.007 91 HB2 SER 13 HB2 SER 13 -14.404 -5.464 2.202 92 HB3 SER 13 HB3 SER 13 -13.165 -6.374 1.331 93 HG SER 13 HG SER 13 -12.151 -4.602 0.757 94 H CYS 14 H CYS 14 -15.066 -3.111 0.232 95 HA CYS 14 HA CYS 14 -18.046 -3.195 0.435 96 HB2 CYS 14 HB2 CYS 14 -16.014 -1.605 2.036 97 HB3 CYS 14 HB3 CYS 14 -17.665 -1.050 1.860 98 H PHE 15 H PHE 15 -18.937 -0.892 -0.005 99 HA PHE 15 HA PHE 15 -17.608 0.075 -2.482 100 HB2 PHE 15 HB2 PHE 15 -20.084 -0.525 -2.432 101 HB3 PHE 15 HB3 PHE 15 -20.326 0.839 -1.348 102 HD1 PHE 15 HD1 PHE 15 -19.320 3.167 -2.195 103 HD2 PHE 15 HD2 PHE 15 -20.183 -0.201 -4.743 104 HE1 PHE 15 HE1 PHE 15 -19.167 4.633 -4.166 105 HE2 PHE 15 HE2 PHE 15 -20.150 1.300 -6.716 106 HZ PHE 15 HZ PHE 15 -19.665 3.702 -6.443 107 H ALA 16 H ALA 16 -15.984 1.488 -1.840 108 HA ALA 16 HA ALA 16 -16.787 3.826 -0.303 109 HB1 ALA 16 HB1 ALA 16 -16.114 2.435 1.543 110 HB2 ALA 16 HB2 ALA 16 -14.662 1.898 0.696 111 HB3 ALA 16 HB3 ALA 16 -14.790 3.579 1.246 112 H PHE 17 H PHE 17 -15.109 5.453 -0.359 113 HA PHE 17 HA PHE 17 -13.085 5.093 -2.507 114 HB2 PHE 17 HB2 PHE 17 -15.167 6.391 -3.216 115 HB3 PHE 17 HB3 PHE 17 -14.645 7.663 -2.140 116 HD1 PHE 17 HD2 PHE 17 -11.462 6.784 -3.091 117 HD2 PHE 17 HD1 PHE 17 -15.125 8.123 -4.960 118 HE1 PHE 17 HE2 PHE 17 -10.177 7.710 -4.943 119 HE2 PHE 17 HE1 PHE 17 -13.787 9.093 -6.820 120 HZ PHE 17 HZ PHE 17 -11.312 8.872 -6.815 121 H VAL 18 H VAL 18 -11.314 4.911 -1.114 122 HA VAL 18 HA VAL 18 -10.691 7.239 0.530 123 HB VAL 18 HB VAL 18 -9.807 5.628 2.324 124 HG11 VAL 18 HG11 VAL 18 -11.847 5.872 3.615 125 HG12 VAL 18 HG12 VAL 18 -11.608 7.312 2.620 126 HG13 VAL 18 HG13 VAL 18 -12.814 6.086 2.148 127 HG21 VAL 18 HG21 VAL 18 -10.340 3.464 1.268 128 HG22 VAL 18 HG22 VAL 18 -11.211 3.653 2.793 129 HG23 VAL 18 HG23 VAL 18 -12.070 3.874 1.253 130 HA PRO 19 HA PRO 19 -7.508 5.819 -2.377 131 HB2 PRO 19 HB2 PRO 19 -6.045 8.119 -2.586 132 HB3 PRO 19 HB3 PRO 19 -7.590 7.872 -3.453 133 HG2 PRO 19 HG2 PRO 19 -7.151 9.302 -0.810 134 HG3 PRO 19 HG3 PRO 19 -8.054 9.890 -2.227 135 HD2 PRO 19 HD2 PRO 19 -9.290 8.699 -0.119 136 HD3 PRO 19 HD3 PRO 19 -9.865 8.403 -1.789 137 H SER 20 H SER 20 -5.803 4.668 -1.679 138 HA SER 20 HA SER 20 -4.268 5.571 0.675 139 HB2 SER 20 HB2 SER 20 -5.657 3.800 1.481 140 HB3 SER 20 HB3 SER 20 -5.192 2.739 0.161 141 HG SER 20 HG SER 20 -3.547 3.642 2.253 142 H TYR 21 H TYR 21 -2.217 3.791 0.560 143 HA TYR 21 HA TYR 21 -0.815 4.447 -2.001 144 HB2 TYR 21 HB2 TYR 21 -0.089 4.723 0.890 145 HB3 TYR 21 HB3 TYR 21 1.134 4.204 -0.219 146 HD1 TYR 21 HD2 TYR 21 2.008 5.969 -2.118 147 HD2 TYR 21 HD1 TYR 21 -1.008 6.931 0.863 148 HE1 TYR 21 HE2 TYR 21 2.142 8.259 -2.760 149 HE2 TYR 21 HE1 TYR 21 -0.690 9.327 0.349 150 HH TYR 21 HH TYR 21 1.719 10.583 -1.943 151 H TYR 22 H TYR 22 0.085 2.810 -3.016 152 HA TYR 22 HA TYR 22 -0.038 0.032 -1.924 153 HB2 TYR 22 HB2 TYR 22 -1.203 0.911 -4.065 154 HB3 TYR 22 HB3 TYR 22 0.363 0.991 -4.807 155 HD1 TYR 22 HD1 TYR 22 1.888 -1.249 -4.754 156 HD2 TYR 22 HD2 TYR 22 -2.416 -1.148 -4.301 157 HE1 TYR 22 HE1 TYR 22 1.860 -3.625 -4.944 158 HE2 TYR 22 HE2 TYR 22 -2.488 -3.553 -4.787 159 HH TYR 22 HH TYR 22 -1.255 -5.495 -5.180 160 H TYR 23 H TYR 23 1.936 -1.166 -1.796 161 HA TYR 23 HA TYR 23 4.411 0.349 -2.591 162 HB2 TYR 23 HB2 TYR 23 4.460 -0.436 -0.314 163 HB3 TYR 23 HB3 TYR 23 4.058 -2.084 -0.815 164 HD1 TYR 23 HD1 TYR 23 6.459 0.652 -1.711 165 HD2 TYR 23 HD2 TYR 23 5.968 -3.496 -0.859 166 HE1 TYR 23 HE1 TYR 23 8.830 0.308 -2.060 167 HE2 TYR 23 HE2 TYR 23 8.421 -3.830 -0.933 168 HH TYR 23 HH TYR 23 10.632 -1.887 -0.979 169 H ASN 24 H ASN 24 5.540 -0.184 -4.424 170 HA ASN 24 HA ASN 24 4.925 -2.799 -5.749 171 HB2 ASN 24 HB2 ASN 24 5.690 -0.101 -6.934 172 HB3 ASN 24 HB3 ASN 24 5.826 -1.625 -7.806 173 HD21 ASN 24 HD21 ASN 24 4.239 0.536 -8.709 174 HD22 ASN 24 HD22 ASN 24 2.564 0.000 -8.691 175 H GLN 25 H GLN 25 6.525 -3.914 -4.498 176 HA GLN 25 HA GLN 25 9.126 -2.973 -4.094 177 HB2 GLN 25 HB2 GLN 25 9.616 -4.975 -3.143 178 HB3 GLN 25 HB3 GLN 25 7.882 -4.899 -2.950 179 HG2 GLN 25 HG2 GLN 25 9.462 -6.625 -4.854 180 HG3 GLN 25 HG3 GLN 25 8.496 -7.135 -3.480 181 HE21 GLN 25 HE21 GLN 25 5.931 -5.945 -3.877 182 HE22 GLN 25 HE22 GLN 25 5.407 -6.146 -5.518 183 H TYR 26 H TYR 26 7.755 -4.404 -6.985 184 HA TYR 26 HA TYR 26 10.025 -5.240 -8.365 185 HB2 TYR 26 HB2 TYR 26 7.594 -3.774 -9.477 186 HB3 TYR 26 HB3 TYR 26 8.746 -4.678 -10.431 187 HD1 TYR 26 HD2 TYR 26 8.831 -7.189 -10.321 188 HD2 TYR 26 HD1 TYR 26 5.805 -4.879 -8.267 189 HE1 TYR 26 HE2 TYR 26 7.401 -9.198 -10.160 190 HE2 TYR 26 HE1 TYR 26 4.398 -6.891 -8.098 191 HH TYR 26 HH TYR 26 4.153 -9.085 -8.619 192 H SER 27 H SER 27 8.842 -1.952 -7.787 193 HA SER 27 HA SER 27 11.061 -0.816 -9.443 194 HB2 SER 27 HB2 SER 27 8.724 -0.479 -10.235 195 HB3 SER 27 HB3 SER 27 8.369 0.400 -8.743 196 HG SER 27 HG SER 27 8.880 1.718 -10.548 197 H ASN 28 H ASN 28 10.541 -1.639 -6.357 198 HA ASN 28 HA ASN 28 10.988 -0.924 -4.326 199 HB2 ASN 28 HB2 ASN 28 13.220 -1.324 -5.449 200 HB3 ASN 28 HB3 ASN 28 13.319 0.404 -5.785 201 HD21 ASN 28 HD21 ASN 28 12.388 -1.514 -2.769 202 HD22 ASN 28 HD22 ASN 28 13.755 -0.802 -1.900 203 H THR 29 H THR 29 8.931 0.538 -5.139 204 HA THR 29 HA THR 29 9.308 3.006 -3.745 205 HB THR 29 HB THR 29 10.107 3.500 -6.098 206 HG1 THR 29 HG1 THR 29 9.418 5.028 -4.563 207 HG21 THR 29 HG21 THR 29 7.146 3.387 -6.813 208 HG22 THR 29 HG22 THR 29 8.416 2.300 -7.426 209 HG23 THR 29 HG23 THR 29 8.447 4.029 -7.806 210 H CYS 30 H CYS 30 6.927 4.285 -4.244 211 HA CYS 30 HA CYS 30 4.865 2.201 -4.059 212 HB2 CYS 30 HB2 CYS 30 4.747 4.551 -2.268 213 HB3 CYS 30 HB3 CYS 30 4.269 2.883 -1.984 214 H HIS 31 H HIS 31 2.695 3.236 -4.402 215 HA HIS 31 HA HIS 31 2.644 5.868 -5.599 216 HB2 HIS 31 HB2 HIS 31 3.312 3.944 -7.347 217 HB3 HIS 31 HB3 HIS 31 1.597 3.568 -7.286 218 HD1 HIS 31 HD1 HIS 31 1.031 4.492 -9.771 219 HD2 HIS 31 HD2 HIS 31 3.210 7.090 -7.269 220 HE1 HIS 31 HE1 HIS 31 1.013 6.725 -10.919 221 H SER 32 H SER 32 0.507 6.775 -5.447 222 HA SER 32 HA SER 32 -1.198 5.548 -3.571 223 HB2 SER 32 HB2 SER 32 -2.756 7.407 -4.328 224 HB3 SER 32 HB3 SER 32 -1.228 7.835 -3.547 225 HG SER 32 HG SER 32 -1.636 9.084 -5.421 226 H PHE 33 H PHE 33 -3.094 4.489 -3.748 227 HA PHE 33 HA PHE 33 -4.171 3.708 -6.387 228 HB2 PHE 33 HB2 PHE 33 -4.161 1.443 -6.043 229 HB3 PHE 33 HB3 PHE 33 -2.582 1.910 -5.471 230 HD1 PHE 33 HD2 PHE 33 -2.465 2.274 -2.791 231 HD2 PHE 33 HD1 PHE 33 -5.503 -0.022 -4.782 232 HE1 PHE 33 HE2 PHE 33 -2.956 1.071 -0.662 233 HE2 PHE 33 HE1 PHE 33 -6.059 -1.128 -2.671 234 HZ PHE 33 HZ PHE 33 -4.783 -0.576 -0.561 235 H THR 34 H THR 34 -6.359 2.253 -5.682 236 HA THR 34 HA THR 34 -7.901 4.143 -3.923 237 HB THR 34 HB THR 34 -9.878 3.083 -5.106 238 HG1 THR 34 HG1 THR 34 -9.371 1.519 -6.301 239 HG21 THR 34 HG21 THR 34 -7.990 4.712 -6.835 240 HG22 THR 34 HG22 THR 34 -9.090 5.373 -5.605 241 HG23 THR 34 HG23 THR 34 -9.742 4.555 -7.033 242 H TYR 35 H TYR 35 -8.677 3.408 -1.932 243 HA TYR 35 HA TYR 35 -8.673 0.489 -1.509 244 HB2 TYR 35 HB2 TYR 35 -6.890 1.624 -0.362 245 HB3 TYR 35 HB3 TYR 35 -8.005 2.654 0.485 246 HD1 TYR 35 HD1 TYR 35 -7.139 -0.989 -0.048 247 HD2 TYR 35 HD2 TYR 35 -8.610 2.049 2.660 248 HE1 TYR 35 HE1 TYR 35 -7.091 -2.605 1.807 249 HE2 TYR 35 HE2 TYR 35 -8.597 0.424 4.502 250 HH TYR 35 HH TYR 35 -8.754 -2.292 4.599 251 H SER 36 H SER 36 -10.068 0.109 0.688 252 HA SER 36 HA SER 36 -12.516 1.667 0.897 253 HB2 SER 36 HB2 SER 36 -12.405 -1.254 0.009 254 HB3 SER 36 HB3 SER 36 -13.819 -0.547 0.835 255 HG SER 36 HG SER 36 -12.616 0.654 -1.432 256 H GLY 37 H GLY 37 -13.075 1.660 3.125 257 HA2 GLY 37 HA2 GLY 37 -11.204 1.048 5.036 258 HA3 GLY 37 HA3 GLY 37 -12.928 1.250 5.334 259 H CYS 38 H CYS 38 -13.914 -1.051 4.006 260 HA CYS 38 HA CYS 38 -13.558 -3.062 6.043 261 HB2 CYS 38 HB2 CYS 38 -14.759 -3.329 3.271 262 HB3 CYS 38 HB3 CYS 38 -15.096 -4.365 4.645 263 H GLY 39 H GLY 39 -13.285 -5.430 5.266 264 HA2 GLY 39 HA2 GLY 39 -11.712 -7.037 4.855 265 HA3 GLY 39 HA3 GLY 39 -12.036 -6.550 3.180 266 H GLY 40 H GLY 40 -10.390 -5.898 1.997 267 HA2 GLY 40 HA2 GLY 40 -8.341 -5.127 1.379 268 HA3 GLY 40 HA3 GLY 40 -8.330 -4.211 2.877 269 H ASN 41 H ASN 41 -6.018 -4.863 2.242 270 HA ASN 41 HA ASN 41 -5.225 -6.999 4.092 271 HB2 ASN 41 HB2 ASN 41 -3.947 -6.773 1.316 272 HB3 ASN 41 HB3 ASN 41 -3.360 -7.730 2.633 273 HD21 ASN 41 HD21 ASN 41 -3.953 -9.881 2.683 274 HD22 ASN 41 HD22 ASN 41 -5.374 -10.492 1.850 275 H ALA 42 H ALA 42 -2.965 -6.746 4.746 276 HA ALA 42 HA ALA 42 -2.490 -4.230 5.727 277 HB1 ALA 42 HB1 ALA 42 -1.582 -6.337 6.623 278 HB2 ALA 42 HB2 ALA 42 -0.379 -6.341 5.302 279 HB3 ALA 42 HB3 ALA 42 -0.377 -5.036 6.505 280 H ASN 43 H ASN 43 -1.846 -4.987 2.421 281 HA ASN 43 HA ASN 43 0.476 -3.340 2.044 282 HB2 ASN 43 HB2 ASN 43 -0.268 -5.058 0.463 283 HB3 ASN 43 HB3 ASN 43 -1.721 -4.110 0.095 284 HD21 ASN 43 HD21 ASN 43 -1.462 -3.040 -1.879 285 HD22 ASN 43 HD22 ASN 43 0.081 -2.633 -2.549 286 H ARG 44 H ARG 44 -2.566 -2.352 3.109 287 HA ARG 44 HA ARG 44 -2.666 0.186 1.581 288 HB2 ARG 44 HB2 ARG 44 -4.807 -0.537 2.056 289 HB3 ARG 44 HB3 ARG 44 -4.397 -1.206 3.623 290 HG2 ARG 44 HG2 ARG 44 -4.161 1.783 3.385 291 HG3 ARG 44 HG3 ARG 44 -5.769 1.147 3.234 292 HD2 ARG 44 HD2 ARG 44 -3.845 0.813 5.563 293 HD3 ARG 44 HD3 ARG 44 -5.263 1.867 5.478 294 HE ARG 44 HE ARG 44 -5.867 -0.875 4.884 295 HH11 ARG 44 HH11 ARG 44 -5.411 1.435 7.576 296 HH12 ARG 44 HH12 ARG 44 -6.398 0.543 8.690 297 HH21 ARG 44 HH21 ARG 44 -7.159 -2.131 6.517 298 HH22 ARG 44 HH22 ARG 44 -7.318 -1.467 8.099 299 H PHE 45 H PHE 45 -1.868 2.021 2.312 300 HA PHE 45 HA PHE 45 -0.756 2.272 5.078 301 HB2 PHE 45 HB2 PHE 45 0.658 3.508 2.729 302 HB3 PHE 45 HB3 PHE 45 1.306 3.143 4.307 303 HD1 PHE 45 HD1 PHE 45 0.869 0.257 4.716 304 HD2 PHE 45 HD2 PHE 45 1.763 2.417 1.094 305 HE1 PHE 45 HE1 PHE 45 1.684 -1.832 3.648 306 HE2 PHE 45 HE2 PHE 45 2.584 0.386 0.082 307 HZ PHE 45 HZ PHE 45 2.586 -1.777 1.327 308 H ARG 46 H ARG 46 0.012 4.783 5.187 309 HA ARG 46 HA ARG 46 -2.308 6.425 4.205 310 HB2 ARG 46 HB2 ARG 46 -1.866 7.859 6.274 311 HB3 ARG 46 HB3 ARG 46 -2.733 6.347 6.421 312 HG2 ARG 46 HG2 ARG 46 -1.111 6.782 8.252 313 HG3 ARG 46 HG3 ARG 46 -0.938 5.235 7.450 314 HD2 ARG 46 HD2 ARG 46 1.229 6.139 7.939 315 HD3 ARG 46 HD3 ARG 46 1.049 6.124 6.209 316 HE ARG 46 HE ARG 46 0.737 8.492 6.164 317 HH11 ARG 46 HH11 ARG 46 1.788 7.251 9.360 318 HH12 ARG 46 HH12 ARG 46 2.457 8.779 9.819 319 HH21 ARG 46 HH21 ARG 46 1.368 10.546 6.975 320 HH22 ARG 46 HH22 ARG 46 2.239 10.643 8.463 321 H THR 47 H THR 47 1.102 6.130 3.941 322 HA THR 47 HA THR 47 1.131 8.468 2.308 323 HB THR 47 HB THR 47 1.366 9.475 4.619 324 HG1 THR 47 HG1 THR 47 3.278 10.682 3.970 325 HG21 THR 47 HG21 THR 47 4.152 8.343 4.542 326 HG22 THR 47 HG22 THR 47 2.900 7.488 5.406 327 HG23 THR 47 HG23 THR 47 3.375 9.154 5.870 328 H ILE 48 H ILE 48 3.067 8.724 1.129 329 HA ILE 48 HA ILE 48 4.286 6.271 0.576 330 HB ILE 48 HB ILE 48 4.000 7.641 -1.268 331 HG12 ILE 48 HG12 ILE 48 6.992 7.562 -0.689 332 HG13 ILE 48 HG13 ILE 48 6.026 6.259 -1.255 333 HG21 ILE 48 HG21 ILE 48 5.010 9.902 -1.537 334 HG22 ILE 48 HG22 ILE 48 3.949 9.878 -0.143 335 HG23 ILE 48 HG23 ILE 48 5.706 9.797 0.089 336 HD11 ILE 48 HD11 ILE 48 6.607 8.793 -2.785 337 HD12 ILE 48 HD12 ILE 48 7.074 7.125 -3.176 338 HD13 ILE 48 HD13 ILE 48 5.370 7.608 -3.276 339 H ASP 49 H ASP 49 5.010 8.974 2.637 340 HA ASP 49 HA ASP 49 7.770 8.724 3.057 341 HB2 ASP 49 HB2 ASP 49 6.265 9.301 5.530 342 HB3 ASP 49 HB3 ASP 49 7.618 10.125 4.813 343 H GLU 50 H GLU 50 5.060 7.002 4.626 344 HA GLU 50 HA GLU 50 6.815 5.527 6.418 345 HB2 GLU 50 HB2 GLU 50 3.847 5.255 5.815 346 HB3 GLU 50 HB3 GLU 50 4.724 4.257 6.973 347 HG2 GLU 50 HG2 GLU 50 4.393 7.275 7.147 348 HG3 GLU 50 HG3 GLU 50 3.518 6.070 8.087 349 H CYS 51 H CYS 51 4.921 4.842 3.425 350 HA CYS 51 HA CYS 51 5.592 2.111 3.368 351 HB2 CYS 51 HB2 CYS 51 4.662 2.080 1.174 352 HB3 CYS 51 HB3 CYS 51 3.885 3.485 1.958 353 H ASN 52 H ASN 52 7.425 4.921 2.181 354 HA ASN 52 HA ASN 52 9.341 3.228 0.902 355 HB2 ASN 52 HB2 ASN 52 10.349 5.052 -0.004 356 HB3 ASN 52 HB3 ASN 52 8.672 5.574 0.143 357 HD21 ASN 52 HD21 ASN 52 8.325 7.465 1.090 358 HD22 ASN 52 HD22 ASN 52 9.531 8.455 1.880 359 H ARG 53 H ARG 53 9.607 5.380 3.710 360 HA ARG 53 HA ARG 53 12.058 4.455 4.572 361 HB2 ARG 53 HB2 ARG 53 11.674 5.471 6.649 362 HB3 ARG 53 HB3 ARG 53 10.588 6.331 5.538 363 HG2 ARG 53 HG2 ARG 53 8.775 4.740 6.301 364 HG3 ARG 53 HG3 ARG 53 9.839 4.211 7.594 365 HD2 ARG 53 HD2 ARG 53 8.897 7.085 7.125 366 HD3 ARG 53 HD3 ARG 53 8.205 5.931 8.282 367 HE ARG 53 HE ARG 53 11.013 6.173 8.691 368 HH11 ARG 53 HH11 ARG 53 7.853 7.626 9.553 369 HH12 ARG 53 HH12 ARG 53 8.543 8.497 10.902 370 HH21 ARG 53 HH21 ARG 53 11.846 7.364 10.340 371 HH22 ARG 53 HH22 ARG 53 10.864 8.114 11.547 372 H THR 54 H THR 54 9.037 2.650 4.930 373 HA THR 54 HA THR 54 10.360 0.676 6.645 374 HB THR 54 HB THR 54 8.056 1.806 6.959 375 HG1 THR 54 HG1 THR 54 8.844 0.231 8.284 376 HG21 THR 54 HG21 THR 54 6.181 0.952 5.948 377 HG22 THR 54 HG22 THR 54 6.949 -0.598 5.526 378 HG23 THR 54 HG23 THR 54 7.289 0.862 4.573 379 H CYS 55 H CYS 55 9.544 0.859 3.145 380 HA CYS 55 HA CYS 55 10.312 -2.008 2.978 381 HB2 CYS 55 HB2 CYS 55 8.197 -0.671 1.253 382 HB3 CYS 55 HB3 CYS 55 8.601 -2.376 1.348 383 H VAL 56 H VAL 56 10.854 1.193 1.821 384 HA VAL 56 HA VAL 56 11.913 0.239 -0.774 385 HB VAL 56 HB VAL 56 11.579 3.010 0.341 386 HG11 VAL 56 HG11 VAL 56 12.070 3.771 -1.979 387 HG12 VAL 56 HG12 VAL 56 13.480 3.214 -1.084 388 HG13 VAL 56 HG13 VAL 56 12.734 2.157 -2.321 389 HG21 VAL 56 HG21 VAL 56 9.872 3.216 -1.399 390 HG22 VAL 56 HG22 VAL 56 10.373 1.685 -2.102 391 HG23 VAL 56 HG23 VAL 56 9.525 1.720 -0.524 392 H GLY 57 H GLY 57 13.600 -1.100 -0.049 393 HA2 GLY 57 HA2 GLY 57 15.997 -1.117 -0.090 394 HA3 GLY 57 HA3 GLY 57 16.019 0.497 0.613 Start of MODEL 4 1 H1 ARG 1 H ARG 1 12.623 -5.569 3.378 2 HA ARG 1 HA ARG 1 10.661 -4.266 2.815 3 HB2 ARG 1 HB2 ARG 1 9.407 -4.810 0.803 4 HB3 ARG 1 HB3 ARG 1 10.992 -4.135 0.527 5 HG2 ARG 1 HG2 ARG 1 11.188 -7.033 0.318 6 HG3 ARG 1 HG3 ARG 1 9.863 -6.404 -0.652 7 HD2 ARG 1 HD2 ARG 1 11.492 -6.124 -2.213 8 HD3 ARG 1 HD3 ARG 1 11.614 -4.588 -1.460 9 HE ARG 1 HE ARG 1 13.750 -5.078 -0.820 10 HH11 ARG 1 HH11 ARG 1 12.102 -8.115 -1.649 11 HH12 ARG 1 HH12 ARG 1 13.563 -9.060 -1.706 12 HH21 ARG 1 HH21 ARG 1 15.684 -6.268 -0.955 13 HH22 ARG 1 HH22 ARG 1 15.667 -7.935 -1.424 14 HA PRO 2 HA PRO 2 9.061 -7.683 5.154 15 HB2 PRO 2 HB2 PRO 2 6.882 -6.496 6.246 16 HB3 PRO 2 HB3 PRO 2 8.543 -6.092 6.742 17 HG2 PRO 2 HG2 PRO 2 6.763 -4.614 4.817 18 HG3 PRO 2 HG3 PRO 2 7.760 -3.927 6.135 19 HD2 PRO 2 HD2 PRO 2 8.581 -3.996 3.512 20 HD3 PRO 2 HD3 PRO 2 9.732 -4.155 4.882 21 H ARG 3 H ARG 3 7.670 -9.298 4.772 22 HA ARG 3 HA ARG 3 6.371 -9.544 2.336 23 HB2 ARG 3 HB2 ARG 3 5.977 -11.719 2.813 24 HB3 ARG 3 HB3 ARG 3 7.371 -11.353 3.814 25 HG2 ARG 3 HG2 ARG 3 4.489 -11.760 4.677 26 HG3 ARG 3 HG3 ARG 3 5.891 -12.756 5.055 27 HD2 ARG 3 HD2 ARG 3 6.847 -10.927 6.399 28 HD3 ARG 3 HD3 ARG 3 5.447 -9.902 6.027 29 HE ARG 3 HE ARG 3 4.479 -12.310 7.119 30 HH11 ARG 3 HH11 ARG 3 6.468 -9.531 8.185 31 HH12 ARG 3 HH12 ARG 3 5.916 -9.602 9.827 32 HH21 ARG 3 HH21 ARG 3 3.847 -12.431 9.364 33 HH22 ARG 3 HH22 ARG 3 4.538 -11.336 10.516 34 H PHE 4 H PHE 4 5.079 -7.706 4.765 35 HA PHE 4 HA PHE 4 2.266 -8.444 4.120 36 HB2 PHE 4 HB2 PHE 4 1.602 -7.245 5.962 37 HB3 PHE 4 HB3 PHE 4 3.073 -8.012 6.516 38 HD1 PHE 4 HD2 PHE 4 1.555 -4.859 5.321 39 HD2 PHE 4 HD1 PHE 4 4.947 -6.648 7.242 40 HE1 PHE 4 HE2 PHE 4 2.386 -2.606 5.887 41 HE2 PHE 4 HE1 PHE 4 5.868 -4.385 7.712 42 HZ PHE 4 HZ PHE 4 4.607 -2.369 7.067 43 H CYS 5 H CYS 5 4.779 -6.119 3.303 44 HA CYS 5 HA CYS 5 3.030 -4.061 2.342 45 HB2 CYS 5 HB2 CYS 5 5.529 -4.138 3.174 46 HB3 CYS 5 HB3 CYS 5 5.912 -4.519 1.501 47 H GLU 6 H GLU 6 4.115 -7.080 1.114 48 HA GLU 6 HA GLU 6 3.743 -6.342 -1.731 49 HB2 GLU 6 HB2 GLU 6 4.867 -8.409 -2.228 50 HB3 GLU 6 HB3 GLU 6 5.786 -7.425 -1.094 51 HG2 GLU 6 HG2 GLU 6 4.839 -8.838 0.766 52 HG3 GLU 6 HG3 GLU 6 4.126 -9.905 -0.438 53 H LEU 7 H LEU 7 1.372 -6.792 0.294 54 HA LEU 7 HA LEU 7 0.166 -9.213 -0.906 55 HB2 LEU 7 HB2 LEU 7 -0.910 -7.304 1.162 56 HB3 LEU 7 HB3 LEU 7 -1.654 -8.832 0.666 57 HG LEU 7 HG LEU 7 0.979 -8.443 2.146 58 HD11 LEU 7 HD11 LEU 7 -1.155 -8.125 3.418 59 HD12 LEU 7 HD12 LEU 7 -0.172 -9.487 3.994 60 HD13 LEU 7 HD13 LEU 7 -1.614 -9.785 2.999 61 HD21 LEU 7 HD21 LEU 7 -0.314 -11.040 1.263 62 HD22 LEU 7 HD22 LEU 7 1.041 -10.881 2.414 63 HD23 LEU 7 HD23 LEU 7 1.268 -10.392 0.733 64 H ALA 8 H ALA 8 -2.231 -8.867 -1.455 65 HA ALA 8 HA ALA 8 -2.343 -6.784 -3.574 66 HB1 ALA 8 HB1 ALA 8 -4.125 -8.129 -4.542 67 HB2 ALA 8 HB2 ALA 8 -2.679 -9.123 -4.281 68 HB3 ALA 8 HB3 ALA 8 -4.064 -9.251 -3.171 69 HA PRO 9 HA PRO 9 -5.068 -4.852 -0.552 70 HB2 PRO 9 HB2 PRO 9 -5.891 -2.662 -1.977 71 HB3 PRO 9 HB3 PRO 9 -4.301 -2.808 -1.182 72 HG2 PRO 9 HG2 PRO 9 -4.970 -3.316 -4.098 73 HG3 PRO 9 HG3 PRO 9 -3.588 -2.399 -3.418 74 HD2 PRO 9 HD2 PRO 9 -3.361 -4.971 -4.236 75 HD3 PRO 9 HD3 PRO 9 -2.426 -4.342 -2.843 76 H SER 10 H SER 10 -6.793 -6.225 -0.329 77 HA SER 10 HA SER 10 -8.688 -6.778 -2.389 78 HB2 SER 10 HB2 SER 10 -7.983 -8.323 -0.541 79 HB3 SER 10 HB3 SER 10 -8.913 -7.345 0.597 80 HG SER 10 HG SER 10 -9.986 -9.252 -0.317 81 H ALA 11 H ALA 11 -8.841 -4.214 -2.599 82 HA ALA 11 HA ALA 11 -10.617 -2.800 -0.827 83 HB1 ALA 11 HB1 ALA 11 -10.478 -1.042 -2.548 84 HB2 ALA 11 HB2 ALA 11 -8.867 -1.719 -2.221 85 HB3 ALA 11 HB3 ALA 11 -9.757 -2.195 -3.685 86 H GLY 12 H GLY 12 -11.409 -5.173 -3.248 87 HA2 GLY 12 HA2 GLY 12 -13.874 -3.933 -4.163 88 HA3 GLY 12 HA3 GLY 12 -13.318 -5.592 -4.413 89 H SER 13 H SER 13 -12.972 -5.606 -1.304 90 HA SER 13 HA SER 13 -15.196 -7.144 -0.670 91 HB2 SER 13 HB2 SER 13 -12.795 -6.599 0.474 92 HB3 SER 13 HB3 SER 13 -13.842 -5.636 1.530 93 HG SER 13 HG SER 13 -13.691 -8.402 1.082 94 H CYS 14 H CYS 14 -14.844 -3.601 -0.309 95 HA CYS 14 HA CYS 14 -17.706 -3.405 0.455 96 HB2 CYS 14 HB2 CYS 14 -15.271 -2.472 1.996 97 HB3 CYS 14 HB3 CYS 14 -16.626 -1.367 1.865 98 H PHE 15 H PHE 15 -18.456 -1.119 0.161 99 HA PHE 15 HA PHE 15 -16.933 0.220 -2.034 100 HB2 PHE 15 HB2 PHE 15 -18.928 -0.557 -3.007 101 HB3 PHE 15 HB3 PHE 15 -19.880 -0.161 -1.580 102 HD1 PHE 15 HD2 PHE 15 -17.420 1.939 -3.564 103 HD2 PHE 15 HD1 PHE 15 -21.463 1.420 -2.169 104 HE1 PHE 15 HE2 PHE 15 -17.970 4.212 -4.323 105 HE2 PHE 15 HE1 PHE 15 -22.054 3.641 -3.019 106 HZ PHE 15 HZ PHE 15 -20.315 5.072 -4.112 107 H ALA 16 H ALA 16 -15.857 1.747 -1.150 108 HA ALA 16 HA ALA 16 -17.060 3.908 0.343 109 HB1 ALA 16 HB1 ALA 16 -16.239 2.366 2.144 110 HB2 ALA 16 HB2 ALA 16 -14.637 2.346 1.359 111 HB3 ALA 16 HB3 ALA 16 -15.265 3.844 2.045 112 H PHE 17 H PHE 17 -15.166 5.657 0.392 113 HA PHE 17 HA PHE 17 -13.336 5.244 -1.914 114 HB2 PHE 17 HB2 PHE 17 -15.412 6.525 -2.567 115 HB3 PHE 17 HB3 PHE 17 -14.912 7.779 -1.423 116 HD1 PHE 17 HD2 PHE 17 -13.236 5.633 -4.055 117 HD2 PHE 17 HD1 PHE 17 -13.952 9.630 -2.591 118 HE1 PHE 17 HE2 PHE 17 -11.645 6.511 -5.710 119 HE2 PHE 17 HE1 PHE 17 -12.431 10.523 -4.338 120 HZ PHE 17 HZ PHE 17 -11.214 8.967 -5.842 121 H VAL 18 H VAL 18 -11.487 4.985 -0.746 122 HA VAL 18 HA VAL 18 -10.589 7.312 0.802 123 HB VAL 18 HB VAL 18 -9.527 5.601 2.415 124 HG11 VAL 18 HG11 VAL 18 -12.494 6.273 2.520 125 HG12 VAL 18 HG12 VAL 18 -11.493 5.760 3.900 126 HG13 VAL 18 HG13 VAL 18 -11.121 7.274 3.069 127 HG21 VAL 18 HG21 VAL 18 -10.865 3.619 2.949 128 HG22 VAL 18 HG22 VAL 18 -11.949 3.929 1.580 129 HG23 VAL 18 HG23 VAL 18 -10.246 3.501 1.305 130 HA PRO 19 HA PRO 19 -7.520 6.020 -2.279 131 HB2 PRO 19 HB2 PRO 19 -6.069 8.342 -2.416 132 HB3 PRO 19 HB3 PRO 19 -7.599 8.108 -3.297 133 HG2 PRO 19 HG2 PRO 19 -7.153 9.535 -0.701 134 HG3 PRO 19 HG3 PRO 19 -8.162 10.039 -2.079 135 HD2 PRO 19 HD2 PRO 19 -9.187 8.829 0.176 136 HD3 PRO 19 HD3 PRO 19 -9.911 8.582 -1.446 137 H SER 20 H SER 20 -5.864 4.799 -1.512 138 HA SER 20 HA SER 20 -4.358 5.783 0.781 139 HB2 SER 20 HB2 SER 20 -5.478 3.030 0.557 140 HB3 SER 20 HB3 SER 20 -4.293 3.544 1.766 141 HG SER 20 HG SER 20 -5.916 5.146 2.389 142 H TYR 21 H TYR 21 -2.264 3.823 0.758 143 HA TYR 21 HA TYR 21 -1.063 4.412 -1.925 144 HB2 TYR 21 HB2 TYR 21 -0.143 4.773 0.882 145 HB3 TYR 21 HB3 TYR 21 1.002 4.247 -0.264 146 HD1 TYR 21 HD1 TYR 21 -1.346 6.914 0.680 147 HD2 TYR 21 HD2 TYR 21 1.896 5.985 -2.076 148 HE1 TYR 21 HE1 TYR 21 -1.040 9.310 0.164 149 HE2 TYR 21 HE2 TYR 21 2.049 8.286 -2.715 150 HH TYR 21 HH TYR 21 1.558 10.577 -1.883 151 H TYR 22 H TYR 22 -0.043 2.926 -3.084 152 HA TYR 22 HA TYR 22 -0.017 0.086 -2.313 153 HB2 TYR 22 HB2 TYR 22 -1.072 1.268 -4.498 154 HB3 TYR 22 HB3 TYR 22 0.546 1.307 -5.045 155 HD1 TYR 22 HD1 TYR 22 1.952 -0.862 -5.151 156 HD2 TYR 22 HD2 TYR 22 -2.338 -0.806 -4.722 157 HE1 TYR 22 HE1 TYR 22 1.905 -3.213 -5.770 158 HE2 TYR 22 HE2 TYR 22 -2.417 -3.164 -5.548 159 HH TYR 22 HH TYR 22 0.520 -4.935 -6.604 160 H TYR 23 H TYR 23 1.969 -0.999 -2.109 161 HA TYR 23 HA TYR 23 4.448 0.555 -2.644 162 HB2 TYR 23 HB2 TYR 23 4.225 -0.610 -0.510 163 HB3 TYR 23 HB3 TYR 23 3.854 -2.099 -1.356 164 HD1 TYR 23 HD1 TYR 23 6.711 0.371 -1.578 165 HD2 TYR 23 HD2 TYR 23 5.376 -3.709 -1.241 166 HE1 TYR 23 HE1 TYR 23 9.045 -0.374 -1.415 167 HE2 TYR 23 HE2 TYR 23 7.709 -4.450 -0.950 168 HH TYR 23 HH TYR 23 10.551 -2.285 -1.246 169 H ASN 24 H ASN 24 5.883 0.037 -4.421 170 HA ASN 24 HA ASN 24 5.261 -2.515 -5.851 171 HB2 ASN 24 HB2 ASN 24 5.809 0.183 -7.082 172 HB3 ASN 24 HB3 ASN 24 6.044 -1.333 -7.941 173 HD21 ASN 24 HD21 ASN 24 3.831 1.057 -7.598 174 HD22 ASN 24 HD22 ASN 24 2.371 0.153 -8.005 175 H GLN 25 H GLN 25 6.831 -3.592 -4.619 176 HA GLN 25 HA GLN 25 9.441 -2.682 -4.222 177 HB2 GLN 25 HB2 GLN 25 9.986 -4.799 -3.487 178 HB3 GLN 25 HB3 GLN 25 8.282 -4.638 -3.122 179 HG2 GLN 25 HG2 GLN 25 9.535 -6.336 -5.257 180 HG3 GLN 25 HG3 GLN 25 8.691 -6.848 -3.811 181 HE21 GLN 25 HE21 GLN 25 6.147 -5.458 -3.890 182 HE22 GLN 25 HE22 GLN 25 5.455 -5.672 -5.472 183 H TYR 26 H TYR 26 8.003 -4.137 -7.140 184 HA TYR 26 HA TYR 26 10.263 -4.903 -8.564 185 HB2 TYR 26 HB2 TYR 26 7.863 -3.353 -9.617 186 HB3 TYR 26 HB3 TYR 26 8.971 -4.323 -10.583 187 HD1 TYR 26 HD2 TYR 26 9.170 -6.886 -9.812 188 HD2 TYR 26 HD1 TYR 26 5.792 -4.298 -9.071 189 HE1 TYR 26 HE2 TYR 26 7.711 -8.872 -9.503 190 HE2 TYR 26 HE1 TYR 26 4.345 -6.262 -8.785 191 HH TYR 26 HH TYR 26 4.244 -8.531 -8.636 192 H SER 27 H SER 27 8.994 -1.641 -7.946 193 HA SER 27 HA SER 27 11.241 -0.425 -9.447 194 HB2 SER 27 HB2 SER 27 8.833 -0.092 -10.209 195 HB3 SER 27 HB3 SER 27 8.577 0.837 -8.726 196 HG SER 27 HG SER 27 9.102 2.108 -10.549 197 H ASN 28 H ASN 28 10.741 -1.300 -6.364 198 HA ASN 28 HA ASN 28 11.293 -0.582 -4.328 199 HB2 ASN 28 HB2 ASN 28 13.487 -0.773 -5.504 200 HB3 ASN 28 HB3 ASN 28 13.378 0.900 -6.020 201 HD21 ASN 28 HD21 ASN 28 13.455 -1.033 -2.945 202 HD22 ASN 28 HD22 ASN 28 14.647 -0.019 -2.206 203 H THR 29 H THR 29 9.116 0.964 -5.396 204 HA THR 29 HA THR 29 9.401 3.330 -3.717 205 HB THR 29 HB THR 29 10.175 4.087 -5.940 206 HG1 THR 29 HG1 THR 29 8.292 5.725 -6.106 207 HG21 THR 29 HG21 THR 29 8.599 4.322 -7.802 208 HG22 THR 29 HG22 THR 29 7.355 3.448 -6.881 209 HG23 THR 29 HG23 THR 29 8.841 2.623 -7.392 210 H CYS 30 H CYS 30 6.882 4.537 -4.201 211 HA CYS 30 HA CYS 30 4.910 2.398 -4.000 212 HB2 CYS 30 HB2 CYS 30 4.803 4.551 -1.935 213 HB3 CYS 30 HB3 CYS 30 4.300 2.868 -1.927 214 H HIS 31 H HIS 31 2.724 3.315 -4.429 215 HA HIS 31 HA HIS 31 2.669 6.062 -5.448 216 HB2 HIS 31 HB2 HIS 31 3.322 4.160 -7.141 217 HB3 HIS 31 HB3 HIS 31 1.650 3.637 -7.000 218 HD1 HIS 31 HD1 HIS 31 0.649 4.457 -9.312 219 HD2 HIS 31 HD2 HIS 31 3.087 7.218 -7.258 220 HE1 HIS 31 HE1 HIS 31 0.566 6.589 -10.680 221 H SER 32 H SER 32 0.549 7.029 -5.242 222 HA SER 32 HA SER 32 -1.229 5.726 -3.436 223 HB2 SER 32 HB2 SER 32 -2.758 7.639 -4.032 224 HB3 SER 32 HB3 SER 32 -1.188 8.050 -3.341 225 HG SER 32 HG SER 32 -2.004 9.227 -5.244 226 H PHE 33 H PHE 33 -3.221 4.747 -3.731 227 HA PHE 33 HA PHE 33 -4.301 4.299 -6.388 228 HB2 PHE 33 HB2 PHE 33 -4.176 2.013 -6.488 229 HB3 PHE 33 HB3 PHE 33 -2.579 2.440 -5.864 230 HD1 PHE 33 HD2 PHE 33 -2.326 2.449 -3.336 231 HD2 PHE 33 HD1 PHE 33 -5.578 0.442 -5.272 232 HE1 PHE 33 HE2 PHE 33 -2.423 0.767 -1.480 233 HE2 PHE 33 HE1 PHE 33 -6.010 -0.826 -3.219 234 HZ PHE 33 HZ PHE 33 -4.401 -0.552 -1.215 235 H THR 34 H THR 34 -6.308 2.655 -5.825 236 HA THR 34 HA THR 34 -7.937 4.254 -3.892 237 HB THR 34 HB THR 34 -9.854 3.053 -4.954 238 HG1 THR 34 HG1 THR 34 -9.390 1.391 -6.047 239 HG21 THR 34 HG21 THR 34 -9.111 5.275 -5.769 240 HG22 THR 34 HG22 THR 34 -9.908 4.292 -7.004 241 HG23 THR 34 HG23 THR 34 -8.145 4.461 -7.019 242 H TYR 35 H TYR 35 -8.682 3.529 -1.915 243 HA TYR 35 HA TYR 35 -8.646 0.569 -1.505 244 HB2 TYR 35 HB2 TYR 35 -6.881 1.901 -0.350 245 HB3 TYR 35 HB3 TYR 35 -8.115 2.511 0.723 246 HD1 TYR 35 HD1 TYR 35 -6.431 -0.638 -0.524 247 HD2 TYR 35 HD2 TYR 35 -8.745 1.176 2.625 248 HE1 TYR 35 HE1 TYR 35 -5.808 -2.483 0.981 249 HE2 TYR 35 HE2 TYR 35 -8.254 -0.732 4.094 250 HH TYR 35 HH TYR 35 -5.621 -2.971 3.482 251 H SER 36 H SER 36 -10.076 0.164 0.748 252 HA SER 36 HA SER 36 -12.537 1.748 0.578 253 HB2 SER 36 HB2 SER 36 -12.605 -0.212 -1.051 254 HB3 SER 36 HB3 SER 36 -12.593 -1.283 0.370 255 HG SER 36 HG SER 36 -14.673 -0.657 -0.534 256 H GLY 37 H GLY 37 -14.109 0.673 2.300 257 HA2 GLY 37 HA2 GLY 37 -12.893 1.113 4.858 258 HA3 GLY 37 HA3 GLY 37 -14.560 0.636 4.541 259 H CYS 38 H CYS 38 -14.934 -1.758 4.066 260 HA CYS 38 HA CYS 38 -13.373 -3.293 6.011 261 HB2 CYS 38 HB2 CYS 38 -14.981 -4.927 5.914 262 HB3 CYS 38 HB3 CYS 38 -15.891 -3.435 5.816 263 H GLY 39 H GLY 39 -12.828 -5.622 5.394 264 HA2 GLY 39 HA2 GLY 39 -11.604 -7.119 4.169 265 HA3 GLY 39 HA3 GLY 39 -12.101 -6.281 2.691 266 H GLY 40 H GLY 40 -10.319 -5.708 1.564 267 HA2 GLY 40 HA2 GLY 40 -8.326 -4.675 1.051 268 HA3 GLY 40 HA3 GLY 40 -8.425 -3.879 2.627 269 H ASN 41 H ASN 41 -5.879 -4.634 1.904 270 HA ASN 41 HA ASN 41 -5.326 -6.967 3.671 271 HB2 ASN 41 HB2 ASN 41 -4.146 -6.548 0.893 272 HB3 ASN 41 HB3 ASN 41 -3.276 -7.380 2.136 273 HD21 ASN 41 HD21 ASN 41 -6.819 -7.961 2.179 274 HD22 ASN 41 HD22 ASN 41 -6.656 -9.491 1.333 275 H ALA 42 H ALA 42 -3.020 -6.981 4.343 276 HA ALA 42 HA ALA 42 -2.414 -4.630 5.739 277 HB1 ALA 42 HB1 ALA 42 -1.683 -6.968 6.332 278 HB2 ALA 42 HB2 ALA 42 -0.436 -6.835 5.046 279 HB3 ALA 42 HB3 ALA 42 -0.406 -5.746 6.438 280 H ASN 43 H ASN 43 -1.627 -5.303 2.364 281 HA ASN 43 HA ASN 43 0.809 -3.780 2.311 282 HB2 ASN 43 HB2 ASN 43 0.771 -4.168 0.059 283 HB3 ASN 43 HB3 ASN 43 -0.264 -5.438 0.572 284 HD21 ASN 43 HD21 ASN 43 -0.003 -2.702 -1.454 285 HD22 ASN 43 HD22 ASN 43 -1.669 -2.741 -1.999 286 H ARG 44 H ARG 44 -2.352 -2.657 2.993 287 HA ARG 44 HA ARG 44 -2.332 -0.216 1.543 288 HB2 ARG 44 HB2 ARG 44 -4.263 -1.418 2.702 289 HB3 ARG 44 HB3 ARG 44 -3.592 -0.937 4.248 290 HG2 ARG 44 HG2 ARG 44 -3.784 1.523 3.020 291 HG3 ARG 44 HG3 ARG 44 -5.107 0.641 2.259 292 HD2 ARG 44 HD2 ARG 44 -5.938 0.091 4.564 293 HD3 ARG 44 HD3 ARG 44 -4.678 1.158 5.209 294 HE ARG 44 HE ARG 44 -6.050 2.512 3.129 295 HH11 ARG 44 HH11 ARG 44 -6.677 1.316 6.397 296 HH12 ARG 44 HH12 ARG 44 -7.805 2.542 6.847 297 HH21 ARG 44 HH21 ARG 44 -7.463 4.169 3.621 298 HH22 ARG 44 HH22 ARG 44 -8.375 4.218 5.111 299 H PHE 45 H PHE 45 -1.580 1.765 2.016 300 HA PHE 45 HA PHE 45 -0.391 2.355 4.662 301 HB2 PHE 45 HB2 PHE 45 0.910 2.614 1.948 302 HB3 PHE 45 HB3 PHE 45 1.323 3.744 3.235 303 HD1 PHE 45 HD1 PHE 45 2.121 2.936 5.473 304 HD2 PHE 45 HD2 PHE 45 1.675 0.285 2.094 305 HE1 PHE 45 HE1 PHE 45 3.399 1.200 6.664 306 HE2 PHE 45 HE2 PHE 45 2.993 -1.440 3.287 307 HZ PHE 45 HZ PHE 45 3.902 -0.952 5.543 308 H ARG 46 H ARG 46 -0.194 4.668 5.029 309 HA ARG 46 HA ARG 46 -2.494 6.105 3.838 310 HB2 ARG 46 HB2 ARG 46 -2.054 7.654 5.869 311 HB3 ARG 46 HB3 ARG 46 -2.932 6.152 6.041 312 HG2 ARG 46 HG2 ARG 46 -1.436 6.536 7.923 313 HG3 ARG 46 HG3 ARG 46 -1.066 5.044 7.084 314 HD2 ARG 46 HD2 ARG 46 0.968 6.187 7.774 315 HD3 ARG 46 HD3 ARG 46 0.899 6.079 6.030 316 HE ARG 46 HE ARG 46 0.480 8.413 5.849 317 HH11 ARG 46 HH11 ARG 46 1.289 7.430 9.217 318 HH12 ARG 46 HH12 ARG 46 1.882 9.002 9.581 319 HH21 ARG 46 HH21 ARG 46 0.866 10.548 6.565 320 HH22 ARG 46 HH22 ARG 46 1.603 10.815 8.079 321 H THR 47 H THR 47 0.985 6.007 3.724 322 HA THR 47 HA THR 47 0.957 8.163 1.919 323 HB THR 47 HB THR 47 1.038 9.391 4.140 324 HG1 THR 47 HG1 THR 47 1.912 10.669 2.680 325 HG21 THR 47 HG21 THR 47 3.006 9.285 5.510 326 HG22 THR 47 HG22 THR 47 3.886 8.371 4.302 327 HG23 THR 47 HG23 THR 47 2.628 7.562 5.189 328 H ILE 48 H ILE 48 3.023 8.454 0.884 329 HA ILE 48 HA ILE 48 4.380 5.952 0.447 330 HB ILE 48 HB ILE 48 4.116 7.380 -1.415 331 HG12 ILE 48 HG12 ILE 48 7.058 7.489 -0.558 332 HG13 ILE 48 HG13 ILE 48 6.237 6.109 -1.237 333 HG21 ILE 48 HG21 ILE 48 3.810 9.581 -0.312 334 HG22 ILE 48 HG22 ILE 48 5.547 9.629 0.068 335 HG23 ILE 48 HG23 ILE 48 4.979 9.682 -1.604 336 HD11 ILE 48 HD11 ILE 48 7.420 7.185 -3.043 337 HD12 ILE 48 HD12 ILE 48 5.690 7.471 -3.285 338 HD13 ILE 48 HD13 ILE 48 6.727 8.758 -2.638 339 H ASP 49 H ASP 49 4.896 8.824 2.486 340 HA ASP 49 HA ASP 49 7.659 8.488 2.953 341 HB2 ASP 49 HB2 ASP 49 6.231 10.489 3.581 342 HB3 ASP 49 HB3 ASP 49 5.734 9.566 5.012 343 H GLU 50 H GLU 50 4.850 6.898 4.400 344 HA GLU 50 HA GLU 50 6.467 5.566 6.436 345 HB2 GLU 50 HB2 GLU 50 4.090 6.278 6.850 346 HB3 GLU 50 HB3 GLU 50 3.572 5.089 5.653 347 HG2 GLU 50 HG2 GLU 50 3.366 4.206 7.954 348 HG3 GLU 50 HG3 GLU 50 4.517 3.256 7.016 349 H CYS 51 H CYS 51 4.715 4.804 3.381 350 HA CYS 51 HA CYS 51 5.201 2.064 3.374 351 HB2 CYS 51 HB2 CYS 51 3.702 2.916 1.760 352 HB3 CYS 51 HB3 CYS 51 4.889 4.072 1.137 353 H ASN 52 H ASN 52 7.242 4.745 2.150 354 HA ASN 52 HA ASN 52 9.181 2.967 1.065 355 HB2 ASN 52 HB2 ASN 52 10.353 4.745 0.288 356 HB3 ASN 52 HB3 ASN 52 8.707 5.359 0.337 357 HD21 ASN 52 HD21 ASN 52 8.460 7.291 1.158 358 HD22 ASN 52 HD22 ASN 52 9.663 8.185 2.062 359 H ARG 53 H ARG 53 9.273 5.054 3.934 360 HA ARG 53 HA ARG 53 11.635 3.997 4.911 361 HB2 ARG 53 HB2 ARG 53 11.259 5.073 6.924 362 HB3 ARG 53 HB3 ARG 53 10.241 5.929 5.739 363 HG2 ARG 53 HG2 ARG 53 8.300 4.602 6.569 364 HG3 ARG 53 HG3 ARG 53 9.282 3.922 7.844 365 HD2 ARG 53 HD2 ARG 53 7.685 5.944 8.320 366 HD3 ARG 53 HD3 ARG 53 9.262 5.923 9.072 367 HE ARG 53 HE ARG 53 8.345 7.571 6.799 368 HH11 ARG 53 HH11 ARG 53 11.129 6.641 8.825 369 HH12 ARG 53 HH12 ARG 53 12.172 7.746 8.015 370 HH21 ARG 53 HH21 ARG 53 9.781 9.098 5.846 371 HH22 ARG 53 HH22 ARG 53 11.356 9.311 6.509 372 H THR 54 H THR 54 8.505 2.385 5.162 373 HA THR 54 HA THR 54 9.682 0.359 6.954 374 HB THR 54 HB THR 54 7.404 1.578 7.155 375 HG1 THR 54 HG1 THR 54 8.093 -0.239 8.421 376 HG21 THR 54 HG21 THR 54 6.772 0.751 4.716 377 HG22 THR 54 HG22 THR 54 5.585 0.800 6.010 378 HG23 THR 54 HG23 THR 54 6.343 -0.752 5.550 379 H CYS 55 H CYS 55 9.235 0.705 3.452 380 HA CYS 55 HA CYS 55 9.737 -2.224 3.251 381 HB2 CYS 55 HB2 CYS 55 8.018 -0.673 1.304 382 HB3 CYS 55 HB3 CYS 55 8.274 -2.417 1.405 383 H VAL 56 H VAL 56 10.207 0.926 1.594 384 HA VAL 56 HA VAL 56 11.782 -0.109 -0.552 385 HB VAL 56 HB VAL 56 11.427 2.647 0.641 386 HG11 VAL 56 HG11 VAL 56 12.867 2.007 -1.934 387 HG12 VAL 56 HG12 VAL 56 12.406 3.615 -1.335 388 HG13 VAL 56 HG13 VAL 56 13.610 2.672 -0.458 389 HG21 VAL 56 HG21 VAL 56 10.096 3.004 -1.437 390 HG22 VAL 56 HG22 VAL 56 10.454 1.358 -1.960 391 HG23 VAL 56 HG23 VAL 56 9.446 1.634 -0.534 392 H GLY 57 H GLY 57 13.278 -1.507 0.152 393 HA2 GLY 57 HA2 GLY 57 15.231 -0.705 2.242 394 HA3 GLY 57 HA3 GLY 57 15.062 -2.300 1.516 Start of MODEL 5 1 H1 ARG 1 H ARG 1 13.147 -5.016 2.341 2 HA ARG 1 HA ARG 1 10.879 -4.415 2.801 3 HB2 ARG 1 HB2 ARG 1 10.348 -6.428 0.660 4 HB3 ARG 1 HB3 ARG 1 9.933 -4.714 0.749 5 HG2 ARG 1 HG2 ARG 1 12.104 -4.062 -0.046 6 HG3 ARG 1 HG3 ARG 1 12.804 -5.645 0.253 7 HD2 ARG 1 HD2 ARG 1 11.752 -6.689 -1.498 8 HD3 ARG 1 HD3 ARG 1 10.630 -5.338 -1.803 9 HE ARG 1 HE ARG 1 13.360 -4.472 -1.923 10 HH11 ARG 1 HH11 ARG 1 11.348 -6.699 -3.787 11 HH12 ARG 1 HH12 ARG 1 12.175 -6.352 -5.283 12 HH21 ARG 1 HH21 ARG 1 14.222 -3.802 -3.878 13 HH22 ARG 1 HH22 ARG 1 13.624 -4.467 -5.375 14 HA PRO 2 HA PRO 2 9.122 -7.730 5.288 15 HB2 PRO 2 HB2 PRO 2 6.957 -6.500 6.318 16 HB3 PRO 2 HB3 PRO 2 8.612 -6.086 6.845 17 HG2 PRO 2 HG2 PRO 2 6.860 -4.664 4.859 18 HG3 PRO 2 HG3 PRO 2 7.862 -3.937 6.154 19 HD2 PRO 2 HD2 PRO 2 8.716 -4.085 3.534 20 HD3 PRO 2 HD3 PRO 2 9.846 -4.212 4.918 21 H ARG 3 H ARG 3 7.760 -9.348 4.821 22 HA ARG 3 HA ARG 3 6.414 -9.420 2.378 23 HB2 ARG 3 HB2 ARG 3 6.008 -11.629 2.705 24 HB3 ARG 3 HB3 ARG 3 7.453 -11.314 3.643 25 HG2 ARG 3 HG2 ARG 3 4.628 -11.778 4.633 26 HG3 ARG 3 HG3 ARG 3 6.035 -12.800 4.875 27 HD2 ARG 3 HD2 ARG 3 7.051 -11.134 6.350 28 HD3 ARG 3 HD3 ARG 3 5.682 -10.031 6.082 29 HE ARG 3 HE ARG 3 4.544 -12.415 6.918 30 HH11 ARG 3 HH11 ARG 3 6.925 -10.173 8.400 31 HH12 ARG 3 HH12 ARG 3 6.567 -10.741 10.009 32 HH21 ARG 3 HH21 ARG 3 3.995 -12.927 9.038 33 HH22 ARG 3 HH22 ARG 3 4.751 -12.145 10.394 34 H PHE 4 H PHE 4 5.137 -7.768 4.969 35 HA PHE 4 HA PHE 4 2.330 -8.532 4.364 36 HB2 PHE 4 HB2 PHE 4 1.716 -7.153 6.159 37 HB3 PHE 4 HB3 PHE 4 3.008 -8.205 6.709 38 HD1 PHE 4 HD2 PHE 4 2.352 -4.735 5.419 39 HD2 PHE 4 HD1 PHE 4 4.808 -7.282 7.881 40 HE1 PHE 4 HE2 PHE 4 3.800 -2.779 6.039 41 HE2 PHE 4 HE1 PHE 4 6.148 -5.312 8.596 42 HZ PHE 4 HZ PHE 4 5.671 -3.067 7.632 43 H CYS 5 H CYS 5 4.763 -6.231 3.417 44 HA CYS 5 HA CYS 5 2.966 -4.127 2.540 45 HB2 CYS 5 HB2 CYS 5 5.372 -4.146 3.469 46 HB3 CYS 5 HB3 CYS 5 5.898 -4.678 1.876 47 H GLU 6 H GLU 6 4.300 -7.084 1.241 48 HA GLU 6 HA GLU 6 3.793 -6.243 -1.546 49 HB2 GLU 6 HB2 GLU 6 4.958 -8.278 -2.167 50 HB3 GLU 6 HB3 GLU 6 5.874 -7.289 -1.033 51 HG2 GLU 6 HG2 GLU 6 5.023 -8.800 0.825 52 HG3 GLU 6 HG3 GLU 6 4.370 -9.865 -0.424 53 H LEU 7 H LEU 7 1.641 -6.993 0.622 54 HA LEU 7 HA LEU 7 0.267 -9.243 -0.626 55 HB2 LEU 7 HB2 LEU 7 -0.734 -7.250 1.444 56 HB3 LEU 7 HB3 LEU 7 -1.524 -8.763 0.980 57 HG LEU 7 HG LEU 7 1.123 -8.463 2.420 58 HD11 LEU 7 HD11 LEU 7 -1.490 -9.759 3.296 59 HD12 LEU 7 HD12 LEU 7 -0.994 -8.114 3.718 60 HD13 LEU 7 HD13 LEU 7 -0.036 -9.489 4.280 61 HD21 LEU 7 HD21 LEU 7 -0.203 -11.037 1.544 62 HD22 LEU 7 HD22 LEU 7 1.154 -10.890 2.684 63 HD23 LEU 7 HD23 LEU 7 1.386 -10.397 1.019 64 H ALA 8 H ALA 8 -2.100 -8.935 -1.203 65 HA ALA 8 HA ALA 8 -2.299 -6.735 -3.190 66 HB1 ALA 8 HB1 ALA 8 -3.779 -9.355 -2.962 67 HB2 ALA 8 HB2 ALA 8 -4.067 -8.114 -4.198 68 HB3 ALA 8 HB3 ALA 8 -2.503 -8.951 -4.134 69 HA PRO 9 HA PRO 9 -5.218 -5.233 -0.054 70 HB2 PRO 9 HB2 PRO 9 -5.699 -2.736 -1.031 71 HB3 PRO 9 HB3 PRO 9 -4.161 -3.180 -0.231 72 HG2 PRO 9 HG2 PRO 9 -4.737 -2.928 -3.177 73 HG3 PRO 9 HG3 PRO 9 -3.272 -2.445 -2.271 74 HD2 PRO 9 HD2 PRO 9 -3.609 -4.831 -3.729 75 HD3 PRO 9 HD3 PRO 9 -2.391 -4.587 -2.444 76 H SER 10 H SER 10 -6.965 -6.486 -0.337 77 HA SER 10 HA SER 10 -8.531 -6.706 -2.700 78 HB2 SER 10 HB2 SER 10 -8.254 -8.520 -0.993 79 HB3 SER 10 HB3 SER 10 -9.240 -7.574 0.115 80 HG SER 10 HG SER 10 -10.015 -8.723 -2.382 81 H ALA 11 H ALA 11 -8.759 -4.381 -2.967 82 HA ALA 11 HA ALA 11 -10.465 -2.765 -1.370 83 HB1 ALA 11 HB1 ALA 11 -8.711 -1.891 -2.892 84 HB2 ALA 11 HB2 ALA 11 -9.664 -2.452 -4.287 85 HB3 ALA 11 HB3 ALA 11 -10.302 -1.177 -3.225 86 H GLY 12 H GLY 12 -11.355 -5.443 -2.985 87 HA2 GLY 12 HA2 GLY 12 -13.836 -4.456 -4.297 88 HA3 GLY 12 HA3 GLY 12 -13.176 -6.096 -4.331 89 H SER 13 H SER 13 -12.800 -5.592 -1.243 90 HA SER 13 HA SER 13 -14.732 -7.206 -0.216 91 HB2 SER 13 HB2 SER 13 -13.372 -4.860 1.162 92 HB3 SER 13 HB3 SER 13 -14.155 -6.230 1.969 93 HG SER 13 HG SER 13 -11.806 -6.262 0.333 94 H CYS 14 H CYS 14 -15.043 -3.566 -0.310 95 HA CYS 14 HA CYS 14 -17.958 -3.837 -0.267 96 HB2 CYS 14 HB2 CYS 14 -16.630 -1.842 1.586 97 HB3 CYS 14 HB3 CYS 14 -18.313 -2.327 1.512 98 H PHE 15 H PHE 15 -18.922 -1.751 -0.973 99 HA PHE 15 HA PHE 15 -17.079 -0.401 -2.855 100 HB2 PHE 15 HB2 PHE 15 -19.282 -1.122 -3.643 101 HB3 PHE 15 HB3 PHE 15 -20.067 -0.220 -2.386 102 HD1 PHE 15 HD1 PHE 15 -19.356 2.559 -2.449 103 HD2 PHE 15 HD2 PHE 15 -19.436 -0.221 -5.762 104 HE1 PHE 15 HE1 PHE 15 -19.551 4.409 -4.007 105 HE2 PHE 15 HE2 PHE 15 -19.887 1.639 -7.282 106 HZ PHE 15 HZ PHE 15 -19.897 3.973 -6.438 107 H ALA 16 H ALA 16 -15.840 1.036 -1.888 108 HA ALA 16 HA ALA 16 -16.932 3.272 -0.479 109 HB1 ALA 16 HB1 ALA 16 -14.952 1.377 0.843 110 HB2 ALA 16 HB2 ALA 16 -15.244 3.054 1.373 111 HB3 ALA 16 HB3 ALA 16 -16.547 1.850 1.442 112 H PHE 17 H PHE 17 -15.368 5.017 -0.658 113 HA PHE 17 HA PHE 17 -13.055 4.422 -2.434 114 HB2 PHE 17 HB2 PHE 17 -14.934 5.141 -3.772 115 HB3 PHE 17 HB3 PHE 17 -15.083 6.618 -2.811 116 HD1 PHE 17 HD2 PHE 17 -11.570 5.694 -3.490 117 HD2 PHE 17 HD1 PHE 17 -15.056 7.676 -5.131 118 HE1 PHE 17 HE2 PHE 17 -10.138 7.044 -4.946 119 HE2 PHE 17 HE1 PHE 17 -13.570 8.902 -6.702 120 HZ PHE 17 HZ PHE 17 -11.110 8.590 -6.582 121 H VAL 18 H VAL 18 -11.410 4.748 -1.086 122 HA VAL 18 HA VAL 18 -11.049 7.449 0.004 123 HB VAL 18 HB VAL 18 -10.091 6.408 2.102 124 HG11 VAL 18 HG11 VAL 18 -12.242 6.395 3.213 125 HG12 VAL 18 HG12 VAL 18 -12.296 7.615 1.921 126 HG13 VAL 18 HG13 VAL 18 -13.096 6.049 1.700 127 HG21 VAL 18 HG21 VAL 18 -10.013 4.022 1.433 128 HG22 VAL 18 HG22 VAL 18 -11.086 4.240 2.830 129 HG23 VAL 18 HG23 VAL 18 -11.766 4.028 1.197 130 HA PRO 19 HA PRO 19 -7.468 6.191 -2.409 131 HB2 PRO 19 HB2 PRO 19 -5.980 8.497 -2.327 132 HB3 PRO 19 HB3 PRO 19 -7.397 8.260 -3.389 133 HG2 PRO 19 HG2 PRO 19 -7.296 9.659 -0.706 134 HG3 PRO 19 HG3 PRO 19 -8.078 10.205 -2.212 135 HD2 PRO 19 HD2 PRO 19 -9.436 8.959 -0.179 136 HD3 PRO 19 HD3 PRO 19 -9.891 8.728 -1.895 137 H SER 20 H SER 20 -5.878 4.950 -1.605 138 HA SER 20 HA SER 20 -4.576 5.692 0.966 139 HB2 SER 20 HB2 SER 20 -6.298 3.900 1.086 140 HB3 SER 20 HB3 SER 20 -5.231 2.925 0.071 141 HG SER 20 HG SER 20 -3.970 3.917 2.317 142 H TYR 21 H TYR 21 -2.438 3.832 0.914 143 HA TYR 21 HA TYR 21 -1.008 4.521 -1.607 144 HB2 TYR 21 HB2 TYR 21 -0.321 4.808 1.258 145 HB3 TYR 21 HB3 TYR 21 0.900 4.192 0.225 146 HD1 TYR 21 HD2 TYR 21 1.978 5.811 -1.684 147 HD2 TYR 21 HD1 TYR 21 -1.181 7.059 1.072 148 HE1 TYR 21 HE2 TYR 21 2.346 8.089 -2.293 149 HE2 TYR 21 HE1 TYR 21 -0.700 9.366 0.525 150 HH TYR 21 HH TYR 21 1.104 10.796 -0.420 151 H TYR 22 H TYR 22 0.042 2.964 -2.642 152 HA TYR 22 HA TYR 22 -0.145 0.129 -1.783 153 HB2 TYR 22 HB2 TYR 22 -1.353 1.214 -3.904 154 HB3 TYR 22 HB3 TYR 22 0.223 1.185 -4.596 155 HD1 TYR 22 HD1 TYR 22 1.544 -1.043 -4.692 156 HD2 TYR 22 HD2 TYR 22 -2.705 -0.706 -4.147 157 HE1 TYR 22 HE1 TYR 22 1.313 -3.383 -5.357 158 HE2 TYR 22 HE2 TYR 22 -3.004 -2.965 -5.046 159 HH TYR 22 HH TYR 22 -1.933 -4.615 -6.236 160 H TYR 23 H TYR 23 1.730 -0.976 -1.742 161 HA TYR 23 HA TYR 23 4.298 0.406 -2.287 162 HB2 TYR 23 HB2 TYR 23 4.109 -0.867 -0.254 163 HB3 TYR 23 HB3 TYR 23 3.595 -2.297 -1.137 164 HD1 TYR 23 HD1 TYR 23 6.500 0.130 -1.416 165 HD2 TYR 23 HD2 TYR 23 5.197 -3.978 -1.243 166 HE1 TYR 23 HE1 TYR 23 8.822 -0.593 -1.448 167 HE2 TYR 23 HE2 TYR 23 7.562 -4.720 -1.278 168 HH TYR 23 HH TYR 23 10.190 -2.742 -0.853 169 H ASN 24 H ASN 24 5.515 0.139 -4.164 170 HA ASN 24 HA ASN 24 4.812 -2.130 -5.985 171 HB2 ASN 24 HB2 ASN 24 5.823 0.655 -6.624 172 HB3 ASN 24 HB3 ASN 24 5.810 -0.681 -7.760 173 HD21 ASN 24 HD21 ASN 24 3.892 -1.186 -8.847 174 HD22 ASN 24 HD22 ASN 24 2.350 -0.429 -8.522 175 H GLN 25 H GLN 25 6.322 -3.539 -4.935 176 HA GLN 25 HA GLN 25 9.047 -2.923 -4.488 177 HB2 GLN 25 HB2 GLN 25 9.440 -5.260 -4.267 178 HB3 GLN 25 HB3 GLN 25 7.901 -4.901 -3.536 179 HG2 GLN 25 HG2 GLN 25 8.388 -6.317 -6.168 180 HG3 GLN 25 HG3 GLN 25 7.706 -6.992 -4.693 181 HE21 GLN 25 HE21 GLN 25 5.609 -5.498 -3.894 182 HE22 GLN 25 HE22 GLN 25 4.531 -5.159 -5.266 183 H TYR 26 H TYR 26 7.371 -4.037 -7.503 184 HA TYR 26 HA TYR 26 9.668 -4.547 -9.022 185 HB2 TYR 26 HB2 TYR 26 7.026 -3.391 -9.979 186 HB3 TYR 26 HB3 TYR 26 8.252 -4.117 -11.004 187 HD1 TYR 26 HD2 TYR 26 8.995 -6.646 -9.848 188 HD2 TYR 26 HD1 TYR 26 5.122 -4.732 -9.903 189 HE1 TYR 26 HE2 TYR 26 7.900 -8.838 -9.487 190 HE2 TYR 26 HE1 TYR 26 4.040 -6.892 -9.484 191 HH TYR 26 HH TYR 26 4.397 -9.047 -8.774 192 H SER 27 H SER 27 8.365 -1.540 -7.955 193 HA SER 27 HA SER 27 10.204 -0.018 -9.792 194 HB2 SER 27 HB2 SER 27 7.745 0.273 -10.094 195 HB3 SER 27 HB3 SER 27 7.631 0.847 -8.433 196 HG SER 27 HG SER 27 9.213 2.134 -10.444 197 H ASN 28 H ASN 28 10.162 -1.246 -6.740 198 HA ASN 28 HA ASN 28 10.889 -0.721 -4.696 199 HB2 ASN 28 HB2 ASN 28 12.937 -1.179 -5.995 200 HB3 ASN 28 HB3 ASN 28 13.140 0.560 -6.264 201 HD21 ASN 28 HD21 ASN 28 12.383 -1.552 -3.346 202 HD22 ASN 28 HD22 ASN 28 13.761 -0.906 -2.468 203 H THR 29 H THR 29 8.854 0.928 -5.264 204 HA THR 29 HA THR 29 9.414 3.148 -3.575 205 HB THR 29 HB THR 29 10.158 4.025 -5.802 206 HG1 THR 29 HG1 THR 29 8.890 5.969 -5.454 207 HG21 THR 29 HG21 THR 29 7.193 4.116 -6.495 208 HG22 THR 29 HG22 THR 29 8.354 2.983 -7.220 209 HG23 THR 29 HG23 THR 29 8.560 4.728 -7.444 210 H CYS 30 H CYS 30 6.918 4.510 -3.995 211 HA CYS 30 HA CYS 30 4.917 2.365 -3.840 212 HB2 CYS 30 HB2 CYS 30 4.868 4.493 -1.743 213 HB3 CYS 30 HB3 CYS 30 4.378 2.804 -1.760 214 H HIS 31 H HIS 31 2.730 3.279 -4.150 215 HA HIS 31 HA HIS 31 2.673 6.070 -5.100 216 HB2 HIS 31 HB2 HIS 31 3.251 4.340 -6.970 217 HB3 HIS 31 HB3 HIS 31 1.595 3.768 -6.785 218 HD1 HIS 31 HD1 HIS 31 0.230 4.878 -8.751 219 HD2 HIS 31 HD2 HIS 31 3.139 7.316 -6.935 220 HE1 HIS 31 HE1 HIS 31 0.073 7.137 -9.930 221 H SER 32 H SER 32 0.554 7.008 -5.069 222 HA SER 32 HA SER 32 -1.175 5.789 -3.126 223 HB2 SER 32 HB2 SER 32 -2.646 7.719 -3.593 224 HB3 SER 32 HB3 SER 32 -0.976 8.163 -3.202 225 HG SER 32 HG SER 32 -1.043 9.233 -4.991 226 H PHE 33 H PHE 33 -3.229 4.890 -3.436 227 HA PHE 33 HA PHE 33 -4.209 4.365 -6.150 228 HB2 PHE 33 HB2 PHE 33 -4.175 2.076 -6.113 229 HB3 PHE 33 HB3 PHE 33 -2.602 2.466 -5.444 230 HD1 PHE 33 HD2 PHE 33 -2.587 2.610 -2.729 231 HD2 PHE 33 HD1 PHE 33 -5.430 0.415 -5.106 232 HE1 PHE 33 HE2 PHE 33 -3.239 1.297 -0.755 233 HE2 PHE 33 HE1 PHE 33 -6.088 -0.890 -3.117 234 HZ PHE 33 HZ PHE 33 -5.012 -0.368 -0.897 235 H THR 34 H THR 34 -6.359 2.839 -5.716 236 HA THR 34 HA THR 34 -7.973 4.506 -3.852 237 HB THR 34 HB THR 34 -9.883 3.490 -5.139 238 HG1 THR 34 HG1 THR 34 -9.307 1.811 -6.219 239 HG21 THR 34 HG21 THR 34 -9.660 4.992 -6.965 240 HG22 THR 34 HG22 THR 34 -7.890 4.860 -6.982 241 HG23 THR 34 HG23 THR 34 -8.682 5.705 -5.659 242 H TYR 35 H TYR 35 -8.851 3.669 -1.934 243 HA TYR 35 HA TYR 35 -8.726 0.747 -1.630 244 HB2 TYR 35 HB2 TYR 35 -6.889 1.699 -0.523 245 HB3 TYR 35 HB3 TYR 35 -7.930 2.821 0.345 246 HD1 TYR 35 HD1 TYR 35 -7.038 -0.929 0.096 247 HD2 TYR 35 HD2 TYR 35 -8.774 2.317 2.449 248 HE1 TYR 35 HE1 TYR 35 -6.998 -2.303 2.083 249 HE2 TYR 35 HE2 TYR 35 -8.724 0.840 4.434 250 HH TYR 35 HH TYR 35 -8.370 -2.419 4.372 251 H SER 36 H SER 36 -10.232 0.057 0.312 252 HA SER 36 HA SER 36 -12.810 1.468 0.019 253 HB2 SER 36 HB2 SER 36 -12.641 -1.231 1.312 254 HB3 SER 36 HB3 SER 36 -13.904 -0.535 0.296 255 HG SER 36 HG SER 36 -12.895 -1.287 -1.409 256 H GLY 37 H GLY 37 -11.227 -0.403 2.722 257 HA2 GLY 37 HA2 GLY 37 -10.795 1.085 4.771 258 HA3 GLY 37 HA3 GLY 37 -12.499 1.486 4.651 259 H CYS 38 H CYS 38 -13.819 -0.795 4.146 260 HA CYS 38 HA CYS 38 -13.860 -2.178 6.625 261 HB2 CYS 38 HB2 CYS 38 -15.627 -3.419 5.640 262 HB3 CYS 38 HB3 CYS 38 -15.764 -1.797 4.963 263 H GLY 39 H GLY 39 -12.238 -2.947 3.592 264 HA2 GLY 39 HA2 GLY 39 -11.276 -5.519 4.703 265 HA3 GLY 39 HA3 GLY 39 -11.943 -5.431 3.080 266 H GLY 40 H GLY 40 -9.930 -6.250 2.337 267 HA2 GLY 40 HA2 GLY 40 -8.178 -5.615 1.001 268 HA3 GLY 40 HA3 GLY 40 -7.869 -4.164 1.970 269 H ASN 41 H ASN 41 -5.612 -5.252 1.804 270 HA ASN 41 HA ASN 41 -5.208 -7.109 4.113 271 HB2 ASN 41 HB2 ASN 41 -3.839 -7.197 1.391 272 HB3 ASN 41 HB3 ASN 41 -3.215 -7.986 2.818 273 HD21 ASN 41 HD21 ASN 41 -6.659 -8.310 3.014 274 HD22 ASN 41 HD22 ASN 41 -6.675 -9.905 2.307 275 H ALA 42 H ALA 42 -2.782 -7.014 4.733 276 HA ALA 42 HA ALA 42 -2.253 -4.584 5.820 277 HB1 ALA 42 HB1 ALA 42 -0.202 -6.708 5.182 278 HB2 ALA 42 HB2 ALA 42 -0.142 -5.505 6.481 279 HB3 ALA 42 HB3 ALA 42 -1.376 -6.786 6.520 280 H ASN 43 H ASN 43 -1.656 -5.183 2.447 281 HA ASN 43 HA ASN 43 0.645 -3.506 2.160 282 HB2 ASN 43 HB2 ASN 43 -0.058 -4.958 0.345 283 HB3 ASN 43 HB3 ASN 43 -1.582 -4.077 0.166 284 HD21 ASN 43 HD21 ASN 43 -0.998 -3.680 -2.183 285 HD22 ASN 43 HD22 ASN 43 0.305 -2.641 -2.561 286 H ARG 44 H ARG 44 -2.593 -2.713 3.171 287 HA ARG 44 HA ARG 44 -2.820 -0.168 2.047 288 HB2 ARG 44 HB2 ARG 44 -4.630 -1.533 3.188 289 HB3 ARG 44 HB3 ARG 44 -3.879 -1.212 4.757 290 HG2 ARG 44 HG2 ARG 44 -4.129 1.270 3.307 291 HG3 ARG 44 HG3 ARG 44 -5.661 0.390 3.247 292 HD2 ARG 44 HD2 ARG 44 -5.734 0.449 5.667 293 HD3 ARG 44 HD3 ARG 44 -4.248 1.446 5.661 294 HE ARG 44 HE ARG 44 -5.688 2.641 3.751 295 HH11 ARG 44 HH11 ARG 44 -7.074 1.298 6.738 296 HH12 ARG 44 HH12 ARG 44 -8.142 2.608 7.054 297 HH21 ARG 44 HH21 ARG 44 -7.000 4.608 4.334 298 HH22 ARG 44 HH22 ARG 44 -8.326 4.357 5.440 299 H PHE 45 H PHE 45 -1.706 1.637 2.394 300 HA PHE 45 HA PHE 45 -0.674 2.253 5.092 301 HB2 PHE 45 HB2 PHE 45 0.947 1.971 2.619 302 HB3 PHE 45 HB3 PHE 45 1.276 3.397 3.564 303 HD1 PHE 45 HD2 PHE 45 0.839 -0.322 3.960 304 HD2 PHE 45 HD1 PHE 45 2.695 3.265 5.471 305 HE1 PHE 45 HE2 PHE 45 1.953 -1.643 5.671 306 HE2 PHE 45 HE1 PHE 45 3.872 1.909 7.192 307 HZ PHE 45 HZ PHE 45 3.508 -0.535 7.313 308 H ARG 46 H ARG 46 0.079 4.664 5.053 309 HA ARG 46 HA ARG 46 -2.176 6.229 3.869 310 HB2 ARG 46 HB2 ARG 46 -1.763 7.719 5.947 311 HB3 ARG 46 HB3 ARG 46 -2.686 6.247 6.067 312 HG2 ARG 46 HG2 ARG 46 -1.186 6.566 7.987 313 HG3 ARG 46 HG3 ARG 46 -0.912 5.052 7.158 314 HD2 ARG 46 HD2 ARG 46 1.183 6.036 7.851 315 HD3 ARG 46 HD3 ARG 46 1.126 6.004 6.100 316 HE ARG 46 HE ARG 46 0.843 8.349 5.999 317 HH11 ARG 46 HH11 ARG 46 1.491 7.190 9.362 318 HH12 ARG 46 HH12 ARG 46 2.073 8.730 9.844 319 HH21 ARG 46 HH21 ARG 46 1.299 10.465 6.857 320 HH22 ARG 46 HH22 ARG 46 2.017 10.575 8.417 321 H THR 47 H THR 47 1.275 5.972 3.805 322 HA THR 47 HA THR 47 1.370 8.222 2.089 323 HB THR 47 HB THR 47 1.474 9.370 4.316 324 HG1 THR 47 HG1 THR 47 3.228 10.642 3.648 325 HG21 THR 47 HG21 THR 47 2.946 7.458 5.347 326 HG22 THR 47 HG22 THR 47 3.387 9.153 5.726 327 HG23 THR 47 HG23 THR 47 4.267 8.240 4.515 328 H ILE 48 H ILE 48 3.307 8.372 0.956 329 HA ILE 48 HA ILE 48 4.626 5.862 0.523 330 HB ILE 48 HB ILE 48 4.335 7.241 -1.354 331 HG12 ILE 48 HG12 ILE 48 7.273 7.401 -0.581 332 HG13 ILE 48 HG13 ILE 48 6.479 6.000 -1.187 333 HG21 ILE 48 HG21 ILE 48 4.010 9.465 -0.347 334 HG22 ILE 48 HG22 ILE 48 5.730 9.533 0.078 335 HG23 ILE 48 HG23 ILE 48 5.222 9.547 -1.613 336 HD11 ILE 48 HD11 ILE 48 7.047 8.585 -2.660 337 HD12 ILE 48 HD12 ILE 48 7.559 6.940 -3.062 338 HD13 ILE 48 HD13 ILE 48 5.860 7.412 -3.274 339 H ASP 49 H ASP 49 5.211 8.678 2.573 340 HA ASP 49 HA ASP 49 7.978 8.364 2.996 341 HB2 ASP 49 HB2 ASP 49 6.231 10.213 3.805 342 HB3 ASP 49 HB3 ASP 49 6.271 9.243 5.300 343 H GLU 50 H GLU 50 5.192 6.800 4.593 344 HA GLU 50 HA GLU 50 6.823 5.403 6.554 345 HB2 GLU 50 HB2 GLU 50 3.904 5.266 5.734 346 HB3 GLU 50 HB3 GLU 50 4.614 4.221 6.965 347 HG2 GLU 50 HG2 GLU 50 4.429 7.258 7.086 348 HG3 GLU 50 HG3 GLU 50 3.494 6.106 8.032 349 H CYS 51 H CYS 51 5.088 4.736 3.486 350 HA CYS 51 HA CYS 51 5.535 1.978 3.438 351 HB2 CYS 51 HB2 CYS 51 3.980 2.960 1.902 352 HB3 CYS 51 HB3 CYS 51 5.211 4.043 1.248 353 H ASN 52 H ASN 52 7.522 4.640 2.095 354 HA ASN 52 HA ASN 52 9.383 2.821 0.961 355 HB2 ASN 52 HB2 ASN 52 10.529 4.574 0.056 356 HB3 ASN 52 HB3 ASN 52 8.911 5.241 0.207 357 HD21 ASN 52 HD21 ASN 52 8.693 7.098 1.319 358 HD22 ASN 52 HD22 ASN 52 10.011 7.964 2.072 359 H ARG 53 H ARG 53 9.520 4.860 3.825 360 HA ARG 53 HA ARG 53 11.981 3.856 4.738 361 HB2 ARG 53 HB2 ARG 53 11.665 4.876 6.777 362 HB3 ARG 53 HB3 ARG 53 10.646 5.799 5.661 363 HG2 ARG 53 HG2 ARG 53 8.694 4.508 6.478 364 HG3 ARG 53 HG3 ARG 53 9.698 3.687 7.659 365 HD2 ARG 53 HD2 ARG 53 8.359 5.615 8.571 366 HD3 ARG 53 HD3 ARG 53 10.110 5.723 8.858 367 HE ARG 53 HE ARG 53 9.232 7.046 6.427 368 HH11 ARG 53 HH11 ARG 53 9.311 7.510 9.952 369 HH12 ARG 53 HH12 ARG 53 9.723 9.192 9.839 370 HH21 ARG 53 HH21 ARG 53 9.763 9.270 6.292 371 HH22 ARG 53 HH22 ARG 53 9.877 10.233 7.708 372 H THR 54 H THR 54 8.825 2.252 5.017 373 HA THR 54 HA THR 54 10.097 0.161 6.634 374 HB THR 54 HB THR 54 7.874 1.275 7.152 375 HG1 THR 54 HG1 THR 54 8.105 -1.525 7.040 376 HG21 THR 54 HG21 THR 54 6.565 -0.895 5.526 377 HG22 THR 54 HG22 THR 54 6.975 0.616 4.695 378 HG23 THR 54 HG23 THR 54 5.916 0.652 6.104 379 H CYS 55 H CYS 55 9.476 0.486 3.180 380 HA CYS 55 HA CYS 55 9.993 -2.426 2.943 381 HB2 CYS 55 HB2 CYS 55 8.015 -0.972 1.183 382 HB3 CYS 55 HB3 CYS 55 8.265 -2.716 1.342 383 H VAL 56 H VAL 56 10.678 0.779 1.736 384 HA VAL 56 HA VAL 56 11.633 -0.262 -0.872 385 HB VAL 56 HB VAL 56 11.478 2.480 0.355 386 HG11 VAL 56 HG11 VAL 56 12.198 3.428 -1.754 387 HG12 VAL 56 HG12 VAL 56 13.496 2.585 -0.919 388 HG13 VAL 56 HG13 VAL 56 12.702 1.812 -2.316 389 HG21 VAL 56 HG21 VAL 56 9.388 1.408 -0.596 390 HG22 VAL 56 HG22 VAL 56 9.882 2.854 -1.469 391 HG23 VAL 56 HG23 VAL 56 10.234 1.249 -2.143 392 H GLY 57 H GLY 57 13.124 -1.747 -0.246 393 HA2 GLY 57 HA2 GLY 57 15.510 -2.029 -0.234 394 HA3 GLY 57 HA3 GLY 57 15.648 -0.738 0.976 Start of MODEL 6 1 H1 ARG 1 H ARG 1 12.530 -5.231 3.044 2 HA ARG 1 HA ARG 1 10.439 -4.230 2.808 3 HB2 ARG 1 HB2 ARG 1 8.803 -5.124 1.117 4 HB3 ARG 1 HB3 ARG 1 10.067 -4.061 0.577 5 HG2 ARG 1 HG2 ARG 1 10.412 -7.076 0.269 6 HG3 ARG 1 HG3 ARG 1 9.356 -6.180 -0.795 7 HD2 ARG 1 HD2 ARG 1 11.139 -5.817 -2.104 8 HD3 ARG 1 HD3 ARG 1 11.528 -4.574 -0.987 9 HE ARG 1 HE ARG 1 13.400 -5.713 -0.353 10 HH11 ARG 1 HH11 ARG 1 11.215 -8.099 -1.825 11 HH12 ARG 1 HH12 ARG 1 12.524 -9.126 -2.340 12 HH21 ARG 1 HH21 ARG 1 15.014 -7.232 -0.644 13 HH22 ARG 1 HH22 ARG 1 14.668 -8.764 -1.419 14 HA PRO 2 HA PRO 2 9.056 -7.611 5.392 15 HB2 PRO 2 HB2 PRO 2 6.863 -6.408 6.483 16 HB3 PRO 2 HB3 PRO 2 8.514 -5.971 6.984 17 HG2 PRO 2 HG2 PRO 2 6.736 -4.552 5.019 18 HG3 PRO 2 HG3 PRO 2 7.731 -3.833 6.326 19 HD2 PRO 2 HD2 PRO 2 8.584 -3.901 3.731 20 HD3 PRO 2 HD3 PRO 2 9.725 -4.116 5.087 21 H ARG 3 H ARG 3 7.633 -9.241 5.003 22 HA ARG 3 HA ARG 3 6.402 -9.343 2.488 23 HB2 ARG 3 HB2 ARG 3 6.187 -11.517 2.802 24 HB3 ARG 3 HB3 ARG 3 7.358 -11.187 4.053 25 HG2 ARG 3 HG2 ARG 3 4.396 -11.686 4.346 26 HG3 ARG 3 HG3 ARG 3 5.708 -12.744 4.792 27 HD2 ARG 3 HD2 ARG 3 5.268 -10.030 6.119 28 HD3 ARG 3 HD3 ARG 3 4.466 -11.488 6.677 29 HE ARG 3 HE ARG 3 7.116 -10.675 7.270 30 HH11 ARG 3 HH11 ARG 3 5.256 -13.630 6.561 31 HH12 ARG 3 HH12 ARG 3 6.378 -14.694 7.325 32 HH21 ARG 3 HH21 ARG 3 8.476 -12.105 8.570 33 HH22 ARG 3 HH22 ARG 3 8.123 -13.788 8.623 34 H PHE 4 H PHE 4 5.072 -7.632 5.005 35 HA PHE 4 HA PHE 4 2.264 -8.306 4.340 36 HB2 PHE 4 HB2 PHE 4 1.629 -6.994 6.099 37 HB3 PHE 4 HB3 PHE 4 3.075 -7.779 6.703 38 HD1 PHE 4 HD2 PHE 4 1.738 -4.591 5.242 39 HD2 PHE 4 HD1 PHE 4 4.883 -6.428 7.553 40 HE1 PHE 4 HE2 PHE 4 2.602 -2.369 5.803 41 HE2 PHE 4 HE1 PHE 4 5.850 -4.183 7.985 42 HZ PHE 4 HZ PHE 4 4.730 -2.144 7.105 43 H CYS 5 H CYS 5 4.791 -6.059 3.439 44 HA CYS 5 HA CYS 5 3.159 -3.964 2.389 45 HB2 CYS 5 HB2 CYS 5 5.747 -4.349 3.130 46 HB3 CYS 5 HB3 CYS 5 5.939 -4.574 1.403 47 H GLU 6 H GLU 6 4.271 -7.041 1.213 48 HA GLU 6 HA GLU 6 3.911 -6.324 -1.633 49 HB2 GLU 6 HB2 GLU 6 4.968 -8.407 -2.127 50 HB3 GLU 6 HB3 GLU 6 5.888 -7.565 -0.869 51 HG2 GLU 6 HG2 GLU 6 4.932 -8.970 0.847 52 HG3 GLU 6 HG3 GLU 6 3.924 -9.839 -0.322 53 H LEU 7 H LEU 7 1.600 -6.902 0.498 54 HA LEU 7 HA LEU 7 0.243 -9.173 -0.750 55 HB2 LEU 7 HB2 LEU 7 -0.765 -7.077 1.203 56 HB3 LEU 7 HB3 LEU 7 -1.587 -8.589 0.776 57 HG LEU 7 HG LEU 7 1.060 -8.305 2.253 58 HD11 LEU 7 HD11 LEU 7 -1.625 -9.342 3.229 59 HD12 LEU 7 HD12 LEU 7 -0.994 -7.710 3.538 60 HD13 LEU 7 HD13 LEU 7 -0.148 -9.122 4.186 61 HD21 LEU 7 HD21 LEU 7 1.186 -10.335 0.983 62 HD22 LEU 7 HD22 LEU 7 -0.430 -10.838 1.570 63 HD23 LEU 7 HD23 LEU 7 0.945 -10.692 2.689 64 H ALA 8 H ALA 8 -2.059 -8.777 -1.457 65 HA ALA 8 HA ALA 8 -2.099 -6.605 -3.515 66 HB1 ALA 8 HB1 ALA 8 -3.826 -7.939 -4.642 67 HB2 ALA 8 HB2 ALA 8 -2.311 -8.845 -4.486 68 HB3 ALA 8 HB3 ALA 8 -3.674 -9.189 -3.399 69 HA PRO 9 HA PRO 9 -4.968 -5.083 -0.440 70 HB2 PRO 9 HB2 PRO 9 -5.934 -2.846 -1.634 71 HB3 PRO 9 HB3 PRO 9 -4.316 -2.966 -0.897 72 HG2 PRO 9 HG2 PRO 9 -5.057 -3.206 -3.829 73 HG3 PRO 9 HG3 PRO 9 -3.666 -2.356 -3.091 74 HD2 PRO 9 HD2 PRO 9 -3.518 -4.884 -4.188 75 HD3 PRO 9 HD3 PRO 9 -2.443 -4.331 -2.865 76 H SER 10 H SER 10 -6.776 -6.388 -0.250 77 HA SER 10 HA SER 10 -8.596 -7.001 -2.394 78 HB2 SER 10 HB2 SER 10 -8.045 -8.621 -0.636 79 HB3 SER 10 HB3 SER 10 -8.703 -7.530 0.593 80 HG SER 10 HG SER 10 -10.713 -7.697 -0.521 81 H ALA 11 H ALA 11 -8.588 -4.293 -2.392 82 HA ALA 11 HA ALA 11 -10.400 -2.914 -0.691 83 HB1 ALA 11 HB1 ALA 11 -10.259 -1.146 -2.417 84 HB2 ALA 11 HB2 ALA 11 -8.654 -1.813 -2.055 85 HB3 ALA 11 HB3 ALA 11 -9.509 -2.291 -3.539 86 H GLY 12 H GLY 12 -11.125 -5.172 -3.155 87 HA2 GLY 12 HA2 GLY 12 -13.580 -4.043 -4.176 88 HA3 GLY 12 HA3 GLY 12 -13.040 -5.722 -4.317 89 H SER 13 H SER 13 -12.914 -5.169 -1.121 90 HA SER 13 HA SER 13 -14.984 -6.832 -0.379 91 HB2 SER 13 HB2 SER 13 -12.811 -6.028 0.779 92 HB3 SER 13 HB3 SER 13 -13.785 -4.707 1.420 93 HG SER 13 HG SER 13 -14.060 -7.512 1.687 94 H CYS 14 H CYS 14 -15.139 -3.165 -0.338 95 HA CYS 14 HA CYS 14 -18.065 -3.396 -0.368 96 HB2 CYS 14 HB2 CYS 14 -16.701 -1.607 1.677 97 HB3 CYS 14 HB3 CYS 14 -18.416 -1.904 1.478 98 H PHE 15 H PHE 15 -19.085 -1.276 -0.882 99 HA PHE 15 HA PHE 15 -17.215 0.365 -2.524 100 HB2 PHE 15 HB2 PHE 15 -19.181 -0.150 -3.746 101 HB3 PHE 15 HB3 PHE 15 -20.226 0.177 -2.389 102 HD1 PHE 15 HD2 PHE 15 -17.474 2.143 -4.101 103 HD2 PHE 15 HD1 PHE 15 -21.549 2.046 -2.773 104 HE1 PHE 15 HE2 PHE 15 -17.762 4.524 -4.777 105 HE2 PHE 15 HE1 PHE 15 -21.897 4.361 -3.619 106 HZ PHE 15 HZ PHE 15 -19.967 5.622 -4.568 107 H ALA 16 H ALA 16 -16.155 1.611 -1.378 108 HA ALA 16 HA ALA 16 -17.161 3.753 0.263 109 HB1 ALA 16 HB1 ALA 16 -15.253 1.580 1.219 110 HB2 ALA 16 HB2 ALA 16 -15.298 3.205 1.933 111 HB3 ALA 16 HB3 ALA 16 -16.726 2.152 2.016 112 H PHE 17 H PHE 17 -15.370 5.431 0.151 113 HA PHE 17 HA PHE 17 -13.252 4.728 -1.830 114 HB2 PHE 17 HB2 PHE 17 -15.268 5.933 -2.790 115 HB3 PHE 17 HB3 PHE 17 -14.802 7.320 -1.809 116 HD1 PHE 17 HD2 PHE 17 -13.235 4.833 -4.225 117 HD2 PHE 17 HD1 PHE 17 -13.522 8.941 -2.939 118 HE1 PHE 17 HE2 PHE 17 -11.645 5.498 -5.998 119 HE2 PHE 17 HE1 PHE 17 -11.933 9.596 -4.707 120 HZ PHE 17 HZ PHE 17 -10.936 7.876 -6.202 121 H VAL 18 H VAL 18 -11.432 4.737 -0.668 122 HA VAL 18 HA VAL 18 -10.750 7.209 0.779 123 HB VAL 18 HB VAL 18 -9.716 5.735 2.588 124 HG11 VAL 18 HG11 VAL 18 -11.662 7.275 2.877 125 HG12 VAL 18 HG12 VAL 18 -12.762 5.943 2.480 126 HG13 VAL 18 HG13 VAL 18 -11.746 5.861 3.929 127 HG21 VAL 18 HG21 VAL 18 -10.920 3.670 3.173 128 HG22 VAL 18 HG22 VAL 18 -11.905 3.782 1.698 129 HG23 VAL 18 HG23 VAL 18 -10.160 3.492 1.588 130 HA PRO 19 HA PRO 19 -7.719 5.875 -2.391 131 HB2 PRO 19 HB2 PRO 19 -6.493 8.339 -2.723 132 HB3 PRO 19 HB3 PRO 19 -7.971 7.804 -3.584 133 HG2 PRO 19 HG2 PRO 19 -7.785 9.504 -1.082 134 HG3 PRO 19 HG3 PRO 19 -8.790 9.777 -2.537 135 HD2 PRO 19 HD2 PRO 19 -9.815 8.660 -0.317 136 HD3 PRO 19 HD3 PRO 19 -10.300 8.043 -1.925 137 H SER 20 H SER 20 -6.132 4.696 -1.531 138 HA SER 20 HA SER 20 -4.501 5.875 0.633 139 HB2 SER 20 HB2 SER 20 -5.300 2.977 0.550 140 HB3 SER 20 HB3 SER 20 -4.436 3.836 1.817 141 HG SER 20 HG SER 20 -7.076 4.410 0.940 142 H TYR 21 H TYR 21 -2.356 4.225 0.818 143 HA TYR 21 HA TYR 21 -1.127 4.484 -1.898 144 HB2 TYR 21 HB2 TYR 21 -0.329 5.064 0.905 145 HB3 TYR 21 HB3 TYR 21 0.877 4.435 -0.119 146 HD1 TYR 21 HD2 TYR 21 1.779 5.990 -2.170 147 HD2 TYR 21 HD1 TYR 21 -1.317 7.240 0.643 148 HE1 TYR 21 HE2 TYR 21 1.975 8.220 -2.971 149 HE2 TYR 21 HE1 TYR 21 -0.991 9.553 -0.093 150 HH TYR 21 HH TYR 21 1.303 10.447 -2.726 151 H TYR 22 H TYR 22 -0.061 2.916 -2.872 152 HA TYR 22 HA TYR 22 -0.072 0.126 -1.847 153 HB2 TYR 22 HB2 TYR 22 -1.234 1.045 -4.005 154 HB3 TYR 22 HB3 TYR 22 0.366 1.232 -4.658 155 HD1 TYR 22 HD1 TYR 22 1.940 -0.789 -4.836 156 HD2 TYR 22 HD2 TYR 22 -2.329 -1.020 -4.380 157 HE1 TYR 22 HE1 TYR 22 2.039 -3.162 -5.435 158 HE2 TYR 22 HE2 TYR 22 -2.258 -3.383 -5.185 159 HH TYR 22 HH TYR 22 -0.781 -5.268 -5.831 160 H TYR 23 H TYR 23 1.873 -1.024 -1.750 161 HA TYR 23 HA TYR 23 4.422 0.428 -2.305 162 HB2 TYR 23 HB2 TYR 23 4.217 -0.681 -0.159 163 HB3 TYR 23 HB3 TYR 23 3.746 -2.181 -0.936 164 HD1 TYR 23 HD1 TYR 23 6.613 0.289 -1.105 165 HD2 TYR 23 HD2 TYR 23 5.389 -3.838 -1.179 166 HE1 TYR 23 HE1 TYR 23 8.952 -0.379 -1.224 167 HE2 TYR 23 HE2 TYR 23 7.742 -4.518 -1.254 168 HH TYR 23 HH TYR 23 10.483 -2.218 -1.491 169 H ASN 24 H ASN 24 5.630 0.074 -4.233 170 HA ASN 24 HA ASN 24 5.073 -2.477 -5.681 171 HB2 ASN 24 HB2 ASN 24 5.692 0.268 -6.789 172 HB3 ASN 24 HB3 ASN 24 5.807 -1.222 -7.720 173 HD21 ASN 24 HD21 ASN 24 3.848 1.272 -7.408 174 HD22 ASN 24 HD22 ASN 24 2.266 0.530 -7.627 175 H GLN 25 H GLN 25 6.690 -3.571 -4.551 176 HA GLN 25 HA GLN 25 9.362 -2.881 -4.179 177 HB2 GLN 25 HB2 GLN 25 9.802 -5.414 -4.444 178 HB3 GLN 25 HB3 GLN 25 8.809 -4.888 -3.122 179 HG2 GLN 25 HG2 GLN 25 7.583 -5.866 -5.725 180 HG3 GLN 25 HG3 GLN 25 8.082 -6.967 -4.441 181 HE21 GLN 25 HE21 GLN 25 5.291 -5.299 -5.542 182 HE22 GLN 25 HE22 GLN 25 4.549 -5.029 -3.999 183 H TYR 26 H TYR 26 7.797 -4.117 -7.136 184 HA TYR 26 HA TYR 26 9.954 -4.817 -8.705 185 HB2 TYR 26 HB2 TYR 26 7.511 -3.207 -9.572 186 HB3 TYR 26 HB3 TYR 26 8.574 -4.109 -10.631 187 HD1 TYR 26 HD2 TYR 26 8.831 -6.698 -10.110 188 HD2 TYR 26 HD1 TYR 26 5.492 -4.231 -8.911 189 HE1 TYR 26 HE2 TYR 26 7.379 -8.694 -10.058 190 HE2 TYR 26 HE1 TYR 26 4.041 -6.209 -8.875 191 HH TYR 26 HH TYR 26 5.186 -9.439 -9.921 192 H SER 27 H SER 27 8.814 -1.522 -7.918 193 HA SER 27 HA SER 27 11.116 -0.426 -9.441 194 HB2 SER 27 HB2 SER 27 8.713 0.006 -10.252 195 HB3 SER 27 HB3 SER 27 8.549 1.054 -8.836 196 HG SER 27 HG SER 27 10.435 1.238 -10.976 197 H ASN 28 H ASN 28 10.596 -1.271 -6.399 198 HA ASN 28 HA ASN 28 11.144 -0.553 -4.366 199 HB2 ASN 28 HB2 ASN 28 13.333 -0.916 -5.418 200 HB3 ASN 28 HB3 ASN 28 13.330 0.691 -6.099 201 HD21 ASN 28 HD21 ASN 28 13.414 -0.952 -2.815 202 HD22 ASN 28 HD22 ASN 28 14.536 0.268 -2.211 203 H THR 29 H THR 29 9.003 0.933 -5.254 204 HA THR 29 HA THR 29 9.326 3.330 -3.692 205 HB THR 29 HB THR 29 10.041 4.058 -5.988 206 HG1 THR 29 HG1 THR 29 8.507 5.862 -5.988 207 HG21 THR 29 HG21 THR 29 8.318 4.443 -7.698 208 HG22 THR 29 HG22 THR 29 7.120 3.574 -6.741 209 HG23 THR 29 HG23 THR 29 8.534 2.716 -7.389 210 H CYS 30 H CYS 30 6.831 4.509 -4.110 211 HA CYS 30 HA CYS 30 4.857 2.333 -3.945 212 HB2 CYS 30 HB2 CYS 30 4.776 4.530 -1.920 213 HB3 CYS 30 HB3 CYS 30 4.206 2.858 -1.939 214 H HIS 31 H HIS 31 2.683 3.142 -4.420 215 HA HIS 31 HA HIS 31 2.536 5.917 -5.404 216 HB2 HIS 31 HB2 HIS 31 3.215 4.125 -7.176 217 HB3 HIS 31 HB3 HIS 31 1.551 3.567 -7.024 218 HD1 HIS 31 HD1 HIS 31 0.073 4.688 -8.905 219 HD2 HIS 31 HD2 HIS 31 3.216 7.082 -7.434 220 HE1 HIS 31 HE1 HIS 31 0.016 6.832 -10.257 221 H SER 32 H SER 32 0.322 6.738 -5.608 222 HA SER 32 HA SER 32 -1.402 5.704 -3.572 223 HB2 SER 32 HB2 SER 32 -2.958 7.384 -4.480 224 HB3 SER 32 HB3 SER 32 -1.372 8.044 -4.049 225 HG SER 32 HG SER 32 -2.185 8.777 -6.103 226 H PHE 33 H PHE 33 -3.327 4.589 -3.745 227 HA PHE 33 HA PHE 33 -4.377 3.711 -6.320 228 HB2 PHE 33 HB2 PHE 33 -4.225 1.450 -6.008 229 HB3 PHE 33 HB3 PHE 33 -2.654 1.997 -5.450 230 HD1 PHE 33 HD2 PHE 33 -2.502 2.429 -2.840 231 HD2 PHE 33 HD1 PHE 33 -5.566 0.052 -4.678 232 HE1 PHE 33 HE2 PHE 33 -2.968 1.309 -0.646 233 HE2 PHE 33 HE1 PHE 33 -6.146 -0.891 -2.509 234 HZ PHE 33 HZ PHE 33 -4.756 -0.277 -0.453 235 H THR 34 H THR 34 -6.477 2.177 -5.504 236 HA THR 34 HA THR 34 -8.037 4.056 -3.758 237 HB THR 34 HB THR 34 -10.003 2.940 -4.969 238 HG1 THR 34 HG1 THR 34 -9.353 1.300 -6.093 239 HG21 THR 34 HG21 THR 34 -8.021 4.551 -6.636 240 HG22 THR 34 HG22 THR 34 -9.199 5.226 -5.500 241 HG23 THR 34 HG23 THR 34 -9.751 4.367 -6.952 242 H TYR 35 H TYR 35 -8.867 3.402 -1.778 243 HA TYR 35 HA TYR 35 -8.936 0.483 -1.288 244 HB2 TYR 35 HB2 TYR 35 -7.098 1.814 -0.110 245 HB3 TYR 35 HB3 TYR 35 -8.355 2.500 0.870 246 HD1 TYR 35 HD1 TYR 35 -6.987 -0.807 -0.332 247 HD2 TYR 35 HD2 TYR 35 -8.708 1.428 2.949 248 HE1 TYR 35 HE1 TYR 35 -6.256 -2.538 1.242 249 HE2 TYR 35 HE2 TYR 35 -8.132 -0.414 4.489 250 HH TYR 35 HH TYR 35 -7.181 -2.585 4.663 251 H SER 36 H SER 36 -10.483 -0.031 0.619 252 HA SER 36 HA SER 36 -12.876 1.742 0.574 253 HB2 SER 36 HB2 SER 36 -14.168 -0.430 0.755 254 HB3 SER 36 HB3 SER 36 -13.375 -0.087 -0.792 255 HG SER 36 HG SER 36 -12.620 -1.970 -0.547 256 H GLY 37 H GLY 37 -10.558 0.159 2.646 257 HA2 GLY 37 HA2 GLY 37 -10.348 0.400 4.913 258 HA3 GLY 37 HA3 GLY 37 -11.868 1.278 4.966 259 H CYS 38 H CYS 38 -13.664 -0.800 3.968 260 HA CYS 38 HA CYS 38 -14.038 -2.264 6.400 261 HB2 CYS 38 HB2 CYS 38 -15.955 -3.111 5.463 262 HB3 CYS 38 HB3 CYS 38 -15.777 -1.632 4.527 263 H GLY 39 H GLY 39 -12.169 -2.939 3.600 264 HA2 GLY 39 HA2 GLY 39 -11.368 -5.595 4.533 265 HA3 GLY 39 HA3 GLY 39 -12.001 -5.446 2.873 266 H GLY 40 H GLY 40 -9.908 -6.124 2.190 267 HA2 GLY 40 HA2 GLY 40 -8.148 -5.113 0.884 268 HA3 GLY 40 HA3 GLY 40 -7.982 -3.869 2.089 269 H ASN 41 H ASN 41 -5.625 -4.736 1.722 270 HA ASN 41 HA ASN 41 -5.083 -6.738 3.837 271 HB2 ASN 41 HB2 ASN 41 -3.928 -6.784 1.013 272 HB3 ASN 41 HB3 ASN 41 -3.080 -7.465 2.378 273 HD21 ASN 41 HD21 ASN 41 -5.250 -8.373 -0.019 274 HD22 ASN 41 HD22 ASN 41 -6.045 -9.706 0.816 275 H ALA 42 H ALA 42 -2.871 -6.602 4.594 276 HA ALA 42 HA ALA 42 -2.217 -4.114 5.536 277 HB1 ALA 42 HB1 ALA 42 -1.490 -6.366 6.409 278 HB2 ALA 42 HB2 ALA 42 -0.239 -6.374 5.136 279 HB3 ALA 42 HB3 ALA 42 -0.221 -5.125 6.399 280 H ASN 43 H ASN 43 -1.456 -5.120 2.274 281 HA ASN 43 HA ASN 43 0.979 -3.698 1.878 282 HB2 ASN 43 HB2 ASN 43 0.668 -4.834 -0.037 283 HB3 ASN 43 HB3 ASN 43 -1.048 -5.059 0.270 284 HD21 ASN 43 HD21 ASN 43 1.143 -3.527 -1.892 285 HD22 ASN 43 HD22 ASN 43 -0.173 -2.714 -2.707 286 H ARG 44 H ARG 44 -2.257 -2.522 2.390 287 HA ARG 44 HA ARG 44 -1.937 -0.020 1.019 288 HB2 ARG 44 HB2 ARG 44 -4.099 -1.111 1.438 289 HB3 ARG 44 HB3 ARG 44 -3.872 -1.043 3.167 290 HG2 ARG 44 HG2 ARG 44 -3.661 1.631 1.889 291 HG3 ARG 44 HG3 ARG 44 -5.185 0.851 1.558 292 HD2 ARG 44 HD2 ARG 44 -5.235 2.322 3.559 293 HD3 ARG 44 HD3 ARG 44 -5.750 0.664 3.869 294 HE ARG 44 HE ARG 44 -3.270 0.350 4.616 295 HH11 ARG 44 HH11 ARG 44 -5.547 2.907 5.505 296 HH12 ARG 44 HH12 ARG 44 -4.613 3.362 6.924 297 HH21 ARG 44 HH21 ARG 44 -2.434 0.622 6.639 298 HH22 ARG 44 HH22 ARG 44 -2.902 1.952 7.645 299 H PHE 45 H PHE 45 -1.291 1.914 1.795 300 HA PHE 45 HA PHE 45 -0.566 2.314 4.652 301 HB2 PHE 45 HB2 PHE 45 0.970 3.138 2.143 302 HB3 PHE 45 HB3 PHE 45 1.336 3.737 3.759 303 HD1 PHE 45 HD1 PHE 45 2.127 2.192 5.567 304 HD2 PHE 45 HD2 PHE 45 1.615 0.900 1.473 305 HE1 PHE 45 HE1 PHE 45 3.462 0.160 6.031 306 HE2 PHE 45 HE2 PHE 45 2.943 -1.100 1.938 307 HZ PHE 45 HZ PHE 45 3.930 -1.458 4.209 308 H ARG 46 H ARG 46 -0.215 4.788 4.938 309 HA ARG 46 HA ARG 46 -2.511 6.221 3.705 310 HB2 ARG 46 HB2 ARG 46 -2.112 7.784 5.733 311 HB3 ARG 46 HB3 ARG 46 -2.981 6.277 5.914 312 HG2 ARG 46 HG2 ARG 46 -1.471 6.696 7.790 313 HG3 ARG 46 HG3 ARG 46 -1.131 5.183 6.984 314 HD2 ARG 46 HD2 ARG 46 0.896 6.303 7.656 315 HD3 ARG 46 HD3 ARG 46 0.852 6.185 5.910 316 HE ARG 46 HE ARG 46 0.498 8.522 5.709 317 HH11 ARG 46 HH11 ARG 46 1.126 7.558 9.127 318 HH12 ARG 46 HH12 ARG 46 1.545 9.174 9.564 319 HH21 ARG 46 HH21 ARG 46 0.762 10.659 6.458 320 HH22 ARG 46 HH22 ARG 46 1.243 10.967 8.069 321 H THR 47 H THR 47 0.957 6.080 3.599 322 HA THR 47 HA THR 47 0.968 8.244 1.802 323 HB THR 47 HB THR 47 1.017 9.462 4.005 324 HG1 THR 47 HG1 THR 47 1.840 10.767 2.562 325 HG21 THR 47 HG21 THR 47 2.987 9.408 5.358 326 HG22 THR 47 HG22 THR 47 3.872 8.492 4.144 327 HG23 THR 47 HG23 THR 47 2.612 7.684 5.044 328 H ILE 48 H ILE 48 3.004 8.524 0.736 329 HA ILE 48 HA ILE 48 4.301 6.003 0.264 330 HB ILE 48 HB ILE 48 4.079 7.415 -1.587 331 HG12 ILE 48 HG12 ILE 48 7.011 7.489 -0.706 332 HG13 ILE 48 HG13 ILE 48 6.190 6.132 -1.423 333 HG21 ILE 48 HG21 ILE 48 3.821 9.638 -0.491 334 HG22 ILE 48 HG22 ILE 48 5.564 9.653 -0.124 335 HG23 ILE 48 HG23 ILE 48 4.978 9.705 -1.794 336 HD11 ILE 48 HD11 ILE 48 5.785 7.520 -3.488 337 HD12 ILE 48 HD12 ILE 48 6.812 8.783 -2.772 338 HD13 ILE 48 HD13 ILE 48 7.482 7.187 -3.133 339 H ASP 49 H ASP 49 4.940 8.821 2.372 340 HA ASP 49 HA ASP 49 7.702 8.279 2.792 341 HB2 ASP 49 HB2 ASP 49 6.620 10.374 3.453 342 HB3 ASP 49 HB3 ASP 49 5.764 9.528 4.741 343 H GLU 50 H GLU 50 4.777 7.050 4.459 344 HA GLU 50 HA GLU 50 6.336 5.593 6.421 345 HB2 GLU 50 HB2 GLU 50 3.416 5.464 5.577 346 HB3 GLU 50 HB3 GLU 50 4.108 4.450 6.844 347 HG2 GLU 50 HG2 GLU 50 3.959 7.495 6.876 348 HG3 GLU 50 HG3 GLU 50 3.019 6.374 7.861 349 H CYS 51 H CYS 51 4.679 4.890 3.325 350 HA CYS 51 HA CYS 51 5.078 2.121 3.360 351 HB2 CYS 51 HB2 CYS 51 3.564 3.122 1.814 352 HB3 CYS 51 HB3 CYS 51 4.830 4.156 1.131 353 H ASN 52 H ASN 52 7.151 4.754 2.070 354 HA ASN 52 HA ASN 52 9.068 2.898 1.064 355 HB2 ASN 52 HB2 ASN 52 10.207 4.598 0.100 356 HB3 ASN 52 HB3 ASN 52 8.598 5.259 0.145 357 HD21 ASN 52 HD21 ASN 52 8.508 7.310 0.862 358 HD22 ASN 52 HD22 ASN 52 9.758 8.158 1.743 359 H ARG 53 H ARG 53 9.149 5.144 3.864 360 HA ARG 53 HA ARG 53 11.579 4.146 4.803 361 HB2 ARG 53 HB2 ARG 53 11.233 5.298 6.795 362 HB3 ARG 53 HB3 ARG 53 10.230 6.174 5.619 363 HG2 ARG 53 HG2 ARG 53 8.282 4.782 6.453 364 HG3 ARG 53 HG3 ARG 53 9.305 4.235 7.778 365 HD2 ARG 53 HD2 ARG 53 8.652 7.148 7.142 366 HD3 ARG 53 HD3 ARG 53 7.838 6.180 8.359 367 HE ARG 53 HE ARG 53 10.558 7.277 8.458 368 HH11 ARG 53 HH11 ARG 53 8.159 5.178 10.031 369 HH12 ARG 53 HH12 ARG 53 8.893 5.223 11.590 370 HH21 ARG 53 HH21 ARG 53 11.703 7.137 10.448 371 HH22 ARG 53 HH22 ARG 53 10.970 6.411 11.838 372 H THR 54 H THR 54 8.503 2.465 5.019 373 HA THR 54 HA THR 54 9.646 0.568 6.967 374 HB THR 54 HB THR 54 7.363 1.688 7.167 375 HG1 THR 54 HG1 THR 54 7.844 -1.060 7.442 376 HG21 THR 54 HG21 THR 54 6.718 0.820 4.714 377 HG22 THR 54 HG22 THR 54 5.546 0.979 6.004 378 HG23 THR 54 HG23 THR 54 6.237 -0.631 5.611 379 H CYS 55 H CYS 55 9.376 0.766 3.501 380 HA CYS 55 HA CYS 55 9.948 -2.161 3.398 381 HB2 CYS 55 HB2 CYS 55 8.054 -0.729 1.510 382 HB3 CYS 55 HB3 CYS 55 8.446 -2.445 1.523 383 H VAL 56 H VAL 56 10.225 0.978 1.696 384 HA VAL 56 HA VAL 56 11.585 -0.093 -0.601 385 HB VAL 56 HB VAL 56 11.313 2.669 0.580 386 HG11 VAL 56 HG11 VAL 56 12.318 3.671 -1.316 387 HG12 VAL 56 HG12 VAL 56 13.517 2.643 -0.538 388 HG13 VAL 56 HG13 VAL 56 12.708 2.095 -2.030 389 HG21 VAL 56 HG21 VAL 56 9.988 3.020 -1.515 390 HG22 VAL 56 HG22 VAL 56 10.341 1.365 -2.008 391 HG23 VAL 56 HG23 VAL 56 9.329 1.666 -0.588 392 H GLY 57 H GLY 57 13.382 -1.051 -0.603 393 HA2 GLY 57 HA2 GLY 57 15.300 -0.906 1.635 394 HA3 GLY 57 HA3 GLY 57 15.361 -1.990 0.213 Start of MODEL 7 1 H1 ARG 1 H ARG 1 12.846 -4.765 1.696 2 HA ARG 1 HA ARG 1 10.733 -4.151 2.688 3 HB2 ARG 1 HB2 ARG 1 9.156 -4.867 0.827 4 HB3 ARG 1 HB3 ARG 1 10.507 -3.828 0.467 5 HG2 ARG 1 HG2 ARG 1 10.798 -6.813 -0.052 6 HG3 ARG 1 HG3 ARG 1 9.802 -5.805 -1.078 7 HD2 ARG 1 HD2 ARG 1 11.630 -5.523 -2.313 8 HD3 ARG 1 HD3 ARG 1 11.901 -4.231 -1.203 9 HE ARG 1 HE ARG 1 13.779 -5.272 -0.381 10 HH11 ARG 1 HH11 ARG 1 11.949 -7.632 -2.357 11 HH12 ARG 1 HH12 ARG 1 13.343 -8.598 -2.703 12 HH21 ARG 1 HH21 ARG 1 15.474 -6.712 -0.565 13 HH22 ARG 1 HH22 ARG 1 15.393 -8.125 -1.595 14 HA PRO 2 HA PRO 2 9.236 -7.570 5.110 15 HB2 PRO 2 HB2 PRO 2 7.088 -6.336 6.292 16 HB3 PRO 2 HB3 PRO 2 8.768 -6.054 6.797 17 HG2 PRO 2 HG2 PRO 2 7.104 -4.387 4.915 18 HG3 PRO 2 HG3 PRO 2 8.126 -3.824 6.285 19 HD2 PRO 2 HD2 PRO 2 9.018 -3.771 3.730 20 HD3 PRO 2 HD3 PRO 2 10.122 -4.210 5.066 21 H ARG 3 H ARG 3 7.652 -9.119 4.861 22 HA ARG 3 HA ARG 3 6.359 -9.253 2.388 23 HB2 ARG 3 HB2 ARG 3 5.502 -11.339 2.998 24 HB3 ARG 3 HB3 ARG 3 7.036 -11.172 3.818 25 HG2 ARG 3 HG2 ARG 3 5.789 -12.099 5.493 26 HG3 ARG 3 HG3 ARG 3 5.549 -10.398 5.890 27 HD2 ARG 3 HD2 ARG 3 3.335 -10.427 4.827 28 HD3 ARG 3 HD3 ARG 3 3.631 -12.013 4.136 29 HE ARG 3 HE ARG 3 2.898 -11.342 6.903 30 HH11 ARG 3 HH11 ARG 3 3.951 -13.958 4.715 31 HH12 ARG 3 HH12 ARG 3 3.134 -15.197 5.604 32 HH21 ARG 3 HH21 ARG 3 1.889 -13.045 8.130 33 HH22 ARG 3 HH22 ARG 3 1.953 -14.659 7.520 34 H PHE 4 H PHE 4 5.087 -7.611 5.217 35 HA PHE 4 HA PHE 4 2.333 -7.907 4.399 36 HB2 PHE 4 HB2 PHE 4 1.783 -6.378 6.056 37 HB3 PHE 4 HB3 PHE 4 3.158 -7.230 6.712 38 HD1 PHE 4 HD2 PHE 4 2.002 -4.073 5.106 39 HD2 PHE 4 HD1 PHE 4 5.158 -6.005 7.304 40 HE1 PHE 4 HE2 PHE 4 3.076 -1.853 5.577 41 HE2 PHE 4 HE1 PHE 4 6.222 -3.804 7.729 42 HZ PHE 4 HZ PHE 4 5.163 -1.727 6.866 43 H CYS 5 H CYS 5 4.981 -5.827 3.283 44 HA CYS 5 HA CYS 5 3.276 -3.842 2.115 45 HB2 CYS 5 HB2 CYS 5 6.114 -4.356 2.493 46 HB3 CYS 5 HB3 CYS 5 5.825 -3.925 0.829 47 H GLU 6 H GLU 6 4.078 -7.063 1.140 48 HA GLU 6 HA GLU 6 3.600 -6.400 -1.725 49 HB2 GLU 6 HB2 GLU 6 4.753 -8.317 -2.327 50 HB3 GLU 6 HB3 GLU 6 5.665 -7.541 -1.032 51 HG2 GLU 6 HG2 GLU 6 5.179 -9.198 0.535 52 HG3 GLU 6 HG3 GLU 6 3.889 -9.915 -0.431 53 H LEU 7 H LEU 7 1.396 -6.735 0.461 54 HA LEU 7 HA LEU 7 0.082 -9.200 -0.493 55 HB2 LEU 7 HB2 LEU 7 -0.948 -7.072 1.389 56 HB3 LEU 7 HB3 LEU 7 -1.648 -8.677 1.097 57 HG LEU 7 HG LEU 7 0.994 -8.002 2.434 58 HD11 LEU 7 HD11 LEU 7 -1.372 -9.534 3.537 59 HD12 LEU 7 HD12 LEU 7 -1.196 -7.782 3.691 60 HD13 LEU 7 HD13 LEU 7 0.024 -8.840 4.412 61 HD21 LEU 7 HD21 LEU 7 -0.074 -10.778 1.884 62 HD22 LEU 7 HD22 LEU 7 1.364 -10.350 2.855 63 HD23 LEU 7 HD23 LEU 7 1.370 -10.051 1.133 64 H ALA 8 H ALA 8 -2.228 -8.967 -1.213 65 HA ALA 8 HA ALA 8 -2.297 -6.943 -3.390 66 HB1 ALA 8 HB1 ALA 8 -4.023 -9.400 -2.944 67 HB2 ALA 8 HB2 ALA 8 -3.963 -8.375 -4.392 68 HB3 ALA 8 HB3 ALA 8 -2.559 -9.358 -3.957 69 HA PRO 9 HA PRO 9 -5.163 -4.952 -0.641 70 HB2 PRO 9 HB2 PRO 9 -6.204 -2.952 -2.222 71 HB3 PRO 9 HB3 PRO 9 -4.554 -2.892 -1.533 72 HG2 PRO 9 HG2 PRO 9 -5.363 -3.789 -4.299 73 HG3 PRO 9 HG3 PRO 9 -4.059 -2.662 -3.826 74 HD2 PRO 9 HD2 PRO 9 -3.579 -5.308 -4.352 75 HD3 PRO 9 HD3 PRO 9 -2.671 -4.434 -3.074 76 H SER 10 H SER 10 -6.862 -6.142 -0.121 77 HA SER 10 HA SER 10 -8.774 -7.168 -2.024 78 HB2 SER 10 HB2 SER 10 -7.933 -8.377 0.026 79 HB3 SER 10 HB3 SER 10 -8.829 -7.237 1.018 80 HG SER 10 HG SER 10 -10.172 -8.845 0.849 81 H ALA 11 H ALA 11 -8.799 -4.480 -2.385 82 HA ALA 11 HA ALA 11 -10.615 -2.982 -0.738 83 HB1 ALA 11 HB1 ALA 11 -9.668 -2.469 -3.593 84 HB2 ALA 11 HB2 ALA 11 -10.412 -1.280 -2.507 85 HB3 ALA 11 HB3 ALA 11 -8.825 -1.953 -2.112 86 H GLY 12 H GLY 12 -11.338 -5.435 -3.040 87 HA2 GLY 12 HA2 GLY 12 -13.814 -4.255 -4.031 88 HA3 GLY 12 HA3 GLY 12 -13.227 -5.904 -4.257 89 H SER 13 H SER 13 -12.979 -5.608 -1.059 90 HA SER 13 HA SER 13 -14.919 -7.355 -0.332 91 HB2 SER 13 HB2 SER 13 -12.847 -6.292 0.896 92 HB3 SER 13 HB3 SER 13 -14.064 -5.232 1.623 93 HG SER 13 HG SER 13 -13.888 -8.064 1.643 94 H CYS 14 H CYS 14 -15.331 -3.756 0.134 95 HA CYS 14 HA CYS 14 -18.243 -4.121 -0.071 96 HB2 CYS 14 HB2 CYS 14 -17.230 -2.431 2.183 97 HB3 CYS 14 HB3 CYS 14 -18.772 -3.237 2.015 98 H PHE 15 H PHE 15 -19.223 -1.719 0.039 99 HA PHE 15 HA PHE 15 -17.624 -0.237 -1.938 100 HB2 PHE 15 HB2 PHE 15 -20.141 -0.679 -2.006 101 HB3 PHE 15 HB3 PHE 15 -20.303 0.560 -0.770 102 HD1 PHE 15 HD1 PHE 15 -18.734 2.835 -1.484 103 HD2 PHE 15 HD2 PHE 15 -20.696 0.025 -4.129 104 HE1 PHE 15 HE1 PHE 15 -18.692 4.500 -3.292 105 HE2 PHE 15 HE2 PHE 15 -20.725 1.757 -5.906 106 HZ PHE 15 HZ PHE 15 -19.727 3.985 -5.485 107 H ALA 16 H ALA 16 -15.972 0.872 -1.045 108 HA ALA 16 HA ALA 16 -16.531 2.995 0.856 109 HB1 ALA 16 HB1 ALA 16 -14.540 0.771 1.439 110 HB2 ALA 16 HB2 ALA 16 -14.554 2.349 2.251 111 HB3 ALA 16 HB3 ALA 16 -15.941 1.243 2.398 112 H PHE 17 H PHE 17 -15.244 4.760 0.192 113 HA PHE 17 HA PHE 17 -13.121 4.185 -1.828 114 HB2 PHE 17 HB2 PHE 17 -15.296 4.927 -2.782 115 HB3 PHE 17 HB3 PHE 17 -15.188 6.399 -1.827 116 HD1 PHE 17 HD2 PHE 17 -12.045 5.142 -3.424 117 HD2 PHE 17 HD1 PHE 17 -15.559 7.621 -3.931 118 HE1 PHE 17 HE2 PHE 17 -10.954 6.339 -5.274 119 HE2 PHE 17 HE1 PHE 17 -14.429 8.799 -5.804 120 HZ PHE 17 HZ PHE 17 -12.117 8.184 -6.442 121 H VAL 18 H VAL 18 -11.295 4.512 -0.701 122 HA VAL 18 HA VAL 18 -10.832 7.166 0.501 123 HB VAL 18 HB VAL 18 -9.610 5.951 2.380 124 HG11 VAL 18 HG11 VAL 18 -11.608 5.838 3.757 125 HG12 VAL 18 HG12 VAL 18 -11.777 7.188 2.631 126 HG13 VAL 18 HG13 VAL 18 -12.654 5.682 2.325 127 HG21 VAL 18 HG21 VAL 18 -9.738 3.608 1.464 128 HG22 VAL 18 HG22 VAL 18 -10.438 3.763 3.081 129 HG23 VAL 18 HG23 VAL 18 -11.495 3.646 1.658 130 HA PRO 19 HA PRO 19 -7.390 6.274 -2.336 131 HB2 PRO 19 HB2 PRO 19 -6.101 8.714 -2.227 132 HB3 PRO 19 HB3 PRO 19 -7.509 8.354 -3.256 133 HG2 PRO 19 HG2 PRO 19 -7.447 9.743 -0.578 134 HG3 PRO 19 HG3 PRO 19 -8.394 10.162 -2.030 135 HD2 PRO 19 HD2 PRO 19 -9.440 8.793 0.115 136 HD3 PRO 19 HD3 PRO 19 -10.004 8.510 -1.551 137 H SER 20 H SER 20 -5.824 4.954 -1.525 138 HA SER 20 HA SER 20 -4.205 5.906 0.767 139 HB2 SER 20 HB2 SER 20 -5.115 3.063 0.397 140 HB3 SER 20 HB3 SER 20 -4.177 3.766 1.701 141 HG SER 20 HG SER 20 -6.804 4.521 0.989 142 H TYR 21 H TYR 21 -2.197 4.003 0.792 143 HA TYR 21 HA TYR 21 -0.904 4.463 -1.877 144 HB2 TYR 21 HB2 TYR 21 0.023 4.723 0.929 145 HB3 TYR 21 HB3 TYR 21 1.180 4.165 -0.251 146 HD1 TYR 21 HD1 TYR 21 -0.932 6.986 0.788 147 HD2 TYR 21 HD2 TYR 21 2.106 5.667 -2.013 148 HE1 TYR 21 HE1 TYR 21 -0.466 9.313 0.198 149 HE2 TYR 21 HE2 TYR 21 2.442 7.981 -2.729 150 HH TYR 21 HH TYR 21 0.856 10.743 -1.058 151 H TYR 22 H TYR 22 0.030 2.903 -2.934 152 HA TYR 22 HA TYR 22 -0.126 0.087 -2.085 153 HB2 TYR 22 HB2 TYR 22 -1.208 1.151 -4.255 154 HB3 TYR 22 HB3 TYR 22 0.414 1.317 -4.840 155 HD1 TYR 22 HD1 TYR 22 1.830 -0.775 -5.247 156 HD2 TYR 22 HD2 TYR 22 -2.394 -0.872 -4.371 157 HE1 TYR 22 HE1 TYR 22 1.724 -3.043 -6.164 158 HE2 TYR 22 HE2 TYR 22 -2.496 -3.186 -5.328 159 HH TYR 22 HH TYR 22 0.318 -4.750 -6.839 160 H TYR 23 H TYR 23 1.789 -1.175 -2.351 161 HA TYR 23 HA TYR 23 4.342 0.404 -2.778 162 HB2 TYR 23 HB2 TYR 23 4.316 -0.272 -0.539 163 HB3 TYR 23 HB3 TYR 23 3.747 -1.898 -0.931 164 HD1 TYR 23 HD2 TYR 23 5.295 -3.575 -1.844 165 HD2 TYR 23 HD1 TYR 23 6.652 0.376 -0.765 166 HE1 TYR 23 HE2 TYR 23 7.635 -4.345 -1.858 167 HE2 TYR 23 HE1 TYR 23 8.995 -0.377 -0.920 168 HH TYR 23 HH TYR 23 10.466 -2.163 -1.524 169 H ASN 24 H ASN 24 5.779 -0.233 -4.327 170 HA ASN 24 HA ASN 24 5.201 -2.774 -5.770 171 HB2 ASN 24 HB2 ASN 24 5.963 -0.089 -6.978 172 HB3 ASN 24 HB3 ASN 24 5.922 -1.621 -7.840 173 HD21 ASN 24 HD21 ASN 24 4.039 1.098 -6.922 174 HD22 ASN 24 HD22 ASN 24 2.528 0.466 -7.556 175 H GLN 25 H GLN 25 6.883 -3.873 -4.581 176 HA GLN 25 HA GLN 25 9.518 -3.015 -4.188 177 HB2 GLN 25 HB2 GLN 25 10.166 -5.485 -4.438 178 HB3 GLN 25 HB3 GLN 25 9.083 -5.091 -3.154 179 HG2 GLN 25 HG2 GLN 25 8.049 -6.142 -5.837 180 HG3 GLN 25 HG3 GLN 25 8.606 -7.190 -4.547 181 HE21 GLN 25 HE21 GLN 25 5.740 -5.617 -5.717 182 HE22 GLN 25 HE22 GLN 25 4.901 -5.682 -4.200 183 H TYR 26 H TYR 26 8.060 -4.377 -7.115 184 HA TYR 26 HA TYR 26 10.300 -4.994 -8.615 185 HB2 TYR 26 HB2 TYR 26 7.740 -3.696 -9.595 186 HB3 TYR 26 HB3 TYR 26 8.831 -4.698 -10.530 187 HD1 TYR 26 HD2 TYR 26 9.294 -7.110 -9.106 188 HD2 TYR 26 HD1 TYR 26 5.711 -4.707 -9.026 189 HE1 TYR 26 HE2 TYR 26 7.981 -9.102 -8.429 190 HE2 TYR 26 HE1 TYR 26 4.401 -6.701 -8.348 191 HH TYR 26 HH TYR 26 5.777 -9.972 -8.061 192 H SER 27 H SER 27 8.914 -1.800 -7.931 193 HA SER 27 HA SER 27 11.035 -0.549 -9.570 194 HB2 SER 27 HB2 SER 27 8.503 -0.257 -10.115 195 HB3 SER 27 HB3 SER 27 8.457 0.780 -8.699 196 HG SER 27 HG SER 27 10.209 1.000 -10.932 197 H ASN 28 H ASN 28 10.658 -1.470 -6.472 198 HA ASN 28 HA ASN 28 11.280 -0.761 -4.466 199 HB2 ASN 28 HB2 ASN 28 13.440 -1.003 -5.580 200 HB3 ASN 28 HB3 ASN 28 13.319 0.581 -6.311 201 HD21 ASN 28 HD21 ASN 28 13.133 -0.540 -2.788 202 HD22 ASN 28 HD22 ASN 28 14.424 0.591 -2.367 203 H THR 29 H THR 29 9.039 0.658 -5.323 204 HA THR 29 HA THR 29 9.358 3.067 -3.778 205 HB THR 29 HB THR 29 10.077 3.801 -6.067 206 HG1 THR 29 HG1 THR 29 8.496 5.616 -6.009 207 HG21 THR 29 HG21 THR 29 8.528 2.488 -7.459 208 HG22 THR 29 HG22 THR 29 8.412 4.220 -7.785 209 HG23 THR 29 HG23 THR 29 7.150 3.425 -6.833 210 H CYS 30 H CYS 30 7.008 4.256 -4.280 211 HA CYS 30 HA CYS 30 4.860 2.284 -3.758 212 HB2 CYS 30 HB2 CYS 30 5.646 4.876 -2.386 213 HB3 CYS 30 HB3 CYS 30 4.125 4.079 -2.104 214 H HIS 31 H HIS 31 2.703 3.403 -4.076 215 HA HIS 31 HA HIS 31 2.739 5.910 -5.515 216 HB2 HIS 31 HB2 HIS 31 3.323 3.888 -7.139 217 HB3 HIS 31 HB3 HIS 31 1.624 3.487 -6.972 218 HD1 HIS 31 HD1 HIS 31 0.760 4.320 -9.402 219 HD2 HIS 31 HD2 HIS 31 3.252 7.000 -7.318 220 HE1 HIS 31 HE1 HIS 31 0.686 6.496 -10.692 221 H SER 32 H SER 32 0.671 6.927 -5.386 222 HA SER 32 HA SER 32 -1.117 5.834 -3.435 223 HB2 SER 32 HB2 SER 32 -2.530 7.721 -3.997 224 HB3 SER 32 HB3 SER 32 -0.854 8.229 -3.752 225 HG SER 32 HG SER 32 -2.128 7.772 -6.247 226 H PHE 33 H PHE 33 -3.086 4.777 -3.687 227 HA PHE 33 HA PHE 33 -4.137 4.181 -6.373 228 HB2 PHE 33 HB2 PHE 33 -4.119 1.894 -6.211 229 HB3 PHE 33 HB3 PHE 33 -2.529 2.318 -5.604 230 HD1 PHE 33 HD2 PHE 33 -2.437 2.599 -2.942 231 HD2 PHE 33 HD1 PHE 33 -5.440 0.340 -5.012 232 HE1 PHE 33 HE2 PHE 33 -2.937 1.301 -0.843 233 HE2 PHE 33 HE1 PHE 33 -6.009 -0.825 -2.932 234 HZ PHE 33 HZ PHE 33 -4.685 -0.342 -0.807 235 H THR 34 H THR 34 -6.333 2.675 -5.783 236 HA THR 34 HA THR 34 -7.832 4.405 -3.867 237 HB THR 34 HB THR 34 -9.833 3.549 -5.085 238 HG1 THR 34 HG1 THR 34 -9.440 1.876 -6.249 239 HG21 THR 34 HG21 THR 34 -7.772 4.953 -6.839 240 HG22 THR 34 HG22 THR 34 -8.758 5.729 -5.589 241 HG23 THR 34 HG23 THR 34 -9.538 5.007 -7.013 242 H TYR 35 H TYR 35 -8.472 3.588 -1.924 243 HA TYR 35 HA TYR 35 -8.499 0.650 -1.646 244 HB2 TYR 35 HB2 TYR 35 -6.661 1.604 -0.426 245 HB3 TYR 35 HB3 TYR 35 -7.734 2.727 0.399 246 HD1 TYR 35 HD1 TYR 35 -6.921 -0.905 -0.120 247 HD2 TYR 35 HD2 TYR 35 -8.465 2.099 2.587 248 HE1 TYR 35 HE1 TYR 35 -6.900 -2.520 1.704 249 HE2 TYR 35 HE2 TYR 35 -8.416 0.453 4.428 250 HH TYR 35 HH TYR 35 -8.254 -1.955 4.900 251 H SER 36 H SER 36 -9.881 0.013 0.264 252 HA SER 36 HA SER 36 -12.350 1.559 0.619 253 HB2 SER 36 HB2 SER 36 -12.040 -1.374 -0.187 254 HB3 SER 36 HB3 SER 36 -13.580 -0.576 0.136 255 HG SER 36 HG SER 36 -13.165 0.844 -1.573 256 H GLY 37 H GLY 37 -12.478 1.781 2.862 257 HA2 GLY 37 HA2 GLY 37 -10.641 0.787 4.674 258 HA3 GLY 37 HA3 GLY 37 -12.254 1.373 5.071 259 H CYS 38 H CYS 38 -13.653 -0.672 3.606 260 HA CYS 38 HA CYS 38 -13.825 -2.749 5.617 261 HB2 CYS 38 HB2 CYS 38 -15.640 -1.578 4.108 262 HB3 CYS 38 HB3 CYS 38 -15.098 -2.704 2.868 263 H GLY 39 H GLY 39 -12.813 -4.793 5.487 264 HA2 GLY 39 HA2 GLY 39 -11.707 -6.592 4.605 265 HA3 GLY 39 HA3 GLY 39 -12.112 -6.033 2.970 266 H GLY 40 H GLY 40 -10.322 -5.699 1.793 267 HA2 GLY 40 HA2 GLY 40 -8.276 -4.799 1.172 268 HA3 GLY 40 HA3 GLY 40 -8.308 -3.866 2.662 269 H ASN 41 H ASN 41 -5.864 -4.710 2.031 270 HA ASN 41 HA ASN 41 -5.292 -6.898 3.981 271 HB2 ASN 41 HB2 ASN 41 -4.119 -6.709 1.162 272 HB3 ASN 41 HB3 ASN 41 -3.285 -7.473 2.471 273 HD21 ASN 41 HD21 ASN 41 -6.764 -8.053 2.665 274 HD22 ASN 41 HD22 ASN 41 -6.627 -9.690 2.058 275 H ALA 42 H ALA 42 -2.915 -6.787 4.626 276 HA ALA 42 HA ALA 42 -2.386 -4.277 5.690 277 HB1 ALA 42 HB1 ALA 42 -0.292 -6.402 5.180 278 HB2 ALA 42 HB2 ALA 42 -0.340 -5.198 6.480 279 HB3 ALA 42 HB3 ALA 42 -1.535 -6.514 6.466 280 H ASN 43 H ASN 43 -1.712 -5.095 2.303 281 HA ASN 43 HA ASN 43 0.654 -3.452 2.206 282 HB2 ASN 43 HB2 ASN 43 0.814 -3.860 0.000 283 HB3 ASN 43 HB3 ASN 43 -0.083 -5.276 0.508 284 HD21 ASN 43 HD21 ASN 43 0.075 -3.021 -1.886 285 HD22 ASN 43 HD22 ASN 43 -1.595 -2.993 -2.372 286 H ARG 44 H ARG 44 -2.342 -2.341 3.014 287 HA ARG 44 HA ARG 44 -2.266 0.037 1.253 288 HB2 ARG 44 HB2 ARG 44 -4.460 -0.879 1.640 289 HB3 ARG 44 HB3 ARG 44 -4.226 -0.966 3.395 290 HG2 ARG 44 HG2 ARG 44 -3.902 1.695 2.050 291 HG3 ARG 44 HG3 ARG 44 -5.516 1.051 2.123 292 HD2 ARG 44 HD2 ARG 44 -5.467 0.912 4.557 293 HD3 ARG 44 HD3 ARG 44 -3.774 1.434 4.563 294 HE ARG 44 HE ARG 44 -5.618 3.242 3.208 295 HH11 ARG 44 HH11 ARG 44 -4.124 2.521 6.341 296 HH12 ARG 44 HH12 ARG 44 -4.116 4.159 6.900 297 HH21 ARG 44 HH21 ARG 44 -5.570 5.348 3.816 298 HH22 ARG 44 HH22 ARG 44 -5.050 5.850 5.398 299 H PHE 45 H PHE 45 -1.421 1.944 1.993 300 HA PHE 45 HA PHE 45 -0.779 2.226 4.887 301 HB2 PHE 45 HB2 PHE 45 1.052 3.398 2.832 302 HB3 PHE 45 HB3 PHE 45 1.410 2.930 4.474 303 HD1 PHE 45 HD1 PHE 45 1.070 0.185 4.909 304 HD2 PHE 45 HD2 PHE 45 1.586 2.096 1.126 305 HE1 PHE 45 HE1 PHE 45 1.753 -1.984 3.884 306 HE2 PHE 45 HE2 PHE 45 2.309 -0.021 0.119 307 HZ PHE 45 HZ PHE 45 2.468 -2.057 1.488 308 H ARG 46 H ARG 46 -0.063 4.741 5.129 309 HA ARG 46 HA ARG 46 -2.340 6.278 3.943 310 HB2 ARG 46 HB2 ARG 46 -1.916 7.795 5.994 311 HB3 ARG 46 HB3 ARG 46 -2.803 6.296 6.149 312 HG2 ARG 46 HG2 ARG 46 -1.268 6.691 8.040 313 HG3 ARG 46 HG3 ARG 46 -1.009 5.171 7.216 314 HD2 ARG 46 HD2 ARG 46 1.120 6.127 7.799 315 HD3 ARG 46 HD3 ARG 46 0.986 6.144 6.066 316 HE ARG 46 HE ARG 46 0.664 8.517 6.065 317 HH11 ARG 46 HH11 ARG 46 1.682 7.192 9.232 318 HH12 ARG 46 HH12 ARG 46 2.167 8.740 9.811 319 HH21 ARG 46 HH21 ARG 46 1.033 10.595 7.026 320 HH22 ARG 46 HH22 ARG 46 1.740 10.677 8.591 321 H THR 47 H THR 47 1.156 6.143 3.883 322 HA THR 47 HA THR 47 1.056 8.349 2.137 323 HB THR 47 HB THR 47 1.140 9.528 4.371 324 HG1 THR 47 HG1 THR 47 2.847 10.902 3.669 325 HG21 THR 47 HG21 THR 47 2.784 7.759 5.356 326 HG22 THR 47 HG22 THR 47 3.126 9.477 5.713 327 HG23 THR 47 HG23 THR 47 4.025 8.607 4.479 328 H ILE 48 H ILE 48 3.098 8.758 1.131 329 HA ILE 48 HA ILE 48 4.448 6.370 0.550 330 HB ILE 48 HB ILE 48 4.166 7.889 -1.176 331 HG12 ILE 48 HG12 ILE 48 7.129 7.804 -0.479 332 HG13 ILE 48 HG13 ILE 48 6.204 6.469 -1.108 333 HG21 ILE 48 HG21 ILE 48 4.097 10.048 0.105 334 HG22 ILE 48 HG22 ILE 48 5.864 9.961 0.297 335 HG23 ILE 48 HG23 ILE 48 5.136 10.145 -1.304 336 HD11 ILE 48 HD11 ILE 48 5.629 7.766 -3.141 337 HD12 ILE 48 HD12 ILE 48 6.664 9.094 -2.569 338 HD13 ILE 48 HD13 ILE 48 7.374 7.524 -2.956 339 H ASP 49 H ASP 49 5.091 9.078 2.738 340 HA ASP 49 HA ASP 49 7.875 8.578 3.155 341 HB2 ASP 49 HB2 ASP 49 6.780 10.674 3.724 342 HB3 ASP 49 HB3 ASP 49 5.858 9.848 4.993 343 H GLU 50 H GLU 50 4.967 7.033 4.545 344 HA GLU 50 HA GLU 50 6.404 5.751 6.697 345 HB2 GLU 50 HB2 GLU 50 4.034 6.662 6.789 346 HB3 GLU 50 HB3 GLU 50 3.567 5.433 5.606 347 HG2 GLU 50 HG2 GLU 50 2.949 4.442 7.586 348 HG3 GLU 50 HG3 GLU 50 4.568 3.754 7.392 349 H CYS 51 H CYS 51 4.835 4.984 3.513 350 HA CYS 51 HA CYS 51 5.316 2.233 3.703 351 HB2 CYS 51 HB2 CYS 51 4.544 2.084 1.487 352 HB3 CYS 51 HB3 CYS 51 3.727 3.526 2.135 353 H ASN 52 H ASN 52 7.265 4.878 2.278 354 HA ASN 52 HA ASN 52 9.140 3.048 1.175 355 HB2 ASN 52 HB2 ASN 52 10.164 4.776 0.128 356 HB3 ASN 52 HB3 ASN 52 8.592 5.463 0.364 357 HD21 ASN 52 HD21 ASN 52 8.487 7.347 1.483 358 HD22 ASN 52 HD22 ASN 52 9.884 8.219 2.106 359 H ARG 53 H ARG 53 9.303 5.252 3.967 360 HA ARG 53 HA ARG 53 11.778 4.316 4.868 361 HB2 ARG 53 HB2 ARG 53 11.436 5.317 6.906 362 HB3 ARG 53 HB3 ARG 53 10.389 6.215 5.803 363 HG2 ARG 53 HG2 ARG 53 8.446 4.866 6.664 364 HG3 ARG 53 HG3 ARG 53 9.520 4.122 7.849 365 HD2 ARG 53 HD2 ARG 53 8.813 7.081 7.640 366 HD3 ARG 53 HD3 ARG 53 8.279 5.928 8.878 367 HE ARG 53 HE ARG 53 11.101 5.886 8.822 368 HH11 ARG 53 HH11 ARG 53 8.471 7.987 9.968 369 HH12 ARG 53 HH12 ARG 53 9.474 8.781 11.144 370 HH21 ARG 53 HH21 ARG 53 12.428 7.109 10.065 371 HH22 ARG 53 HH22 ARG 53 11.789 8.102 11.354 372 H THR 54 H THR 54 8.773 2.504 5.104 373 HA THR 54 HA THR 54 10.098 0.599 6.937 374 HB THR 54 HB THR 54 7.836 1.629 7.423 375 HG1 THR 54 HG1 THR 54 8.070 -1.186 7.372 376 HG21 THR 54 HG21 THR 54 5.901 0.795 6.409 377 HG22 THR 54 HG22 THR 54 6.763 -0.573 5.633 378 HG23 THR 54 HG23 THR 54 6.952 1.082 5.030 379 H CYS 55 H CYS 55 9.538 0.872 3.534 380 HA CYS 55 HA CYS 55 10.130 -2.041 3.313 381 HB2 CYS 55 HB2 CYS 55 8.074 -0.551 1.639 382 HB3 CYS 55 HB3 CYS 55 8.557 -2.234 1.455 383 H VAL 56 H VAL 56 10.125 1.133 1.630 384 HA VAL 56 HA VAL 56 11.537 0.126 -0.663 385 HB VAL 56 HB VAL 56 11.171 2.890 0.470 386 HG11 VAL 56 HG11 VAL 56 12.429 2.205 -2.177 387 HG12 VAL 56 HG12 VAL 56 11.922 3.820 -1.645 388 HG13 VAL 56 HG13 VAL 56 13.224 2.997 -0.791 389 HG21 VAL 56 HG21 VAL 56 9.114 1.776 -0.499 390 HG22 VAL 56 HG22 VAL 56 9.629 3.143 -1.477 391 HG23 VAL 56 HG23 VAL 56 10.012 1.498 -2.003 392 H GLY 57 H GLY 57 13.458 -0.642 -0.635 393 HA2 GLY 57 HA2 GLY 57 15.333 -0.316 1.592 394 HA3 GLY 57 HA3 GLY 57 15.605 -1.236 0.096 Start of MODEL 8 1 H1 ARG 1 H ARG 1 12.226 -5.911 3.945 2 HA ARG 1 HA ARG 1 10.463 -4.572 2.940 3 HB2 ARG 1 HB2 ARG 1 9.607 -5.197 0.730 4 HB3 ARG 1 HB3 ARG 1 11.199 -4.502 0.758 5 HG2 ARG 1 HG2 ARG 1 11.722 -7.295 0.745 6 HG3 ARG 1 HG3 ARG 1 10.356 -7.058 -0.343 7 HD2 ARG 1 HD2 ARG 1 12.316 -6.809 -1.663 8 HD3 ARG 1 HD3 ARG 1 11.652 -5.192 -1.472 9 HE ARG 1 HE ARG 1 13.701 -5.942 0.523 10 HH11 ARG 1 HH11 ARG 1 13.301 -4.655 -2.763 11 HH12 ARG 1 HH12 ARG 1 14.848 -3.865 -2.748 12 HH21 ARG 1 HH21 ARG 1 15.631 -4.846 0.558 13 HH22 ARG 1 HH22 ARG 1 16.171 -3.955 -0.870 14 HA PRO 2 HA PRO 2 8.720 -7.974 5.230 15 HB2 PRO 2 HB2 PRO 2 6.594 -6.687 6.339 16 HB3 PRO 2 HB3 PRO 2 8.284 -6.419 6.877 17 HG2 PRO 2 HG2 PRO 2 6.679 -4.791 4.890 18 HG3 PRO 2 HG3 PRO 2 7.588 -4.175 6.312 19 HD2 PRO 2 HD2 PRO 2 8.717 -4.112 3.850 20 HD3 PRO 2 HD3 PRO 2 9.682 -4.598 5.276 21 H ARG 3 H ARG 3 7.242 -9.532 4.793 22 HA ARG 3 HA ARG 3 5.933 -9.671 2.361 23 HB2 ARG 3 HB2 ARG 3 5.144 -11.739 2.975 24 HB3 ARG 3 HB3 ARG 3 6.622 -11.555 3.880 25 HG2 ARG 3 HG2 ARG 3 3.766 -11.438 4.910 26 HG3 ARG 3 HG3 ARG 3 5.005 -12.643 5.268 27 HD2 ARG 3 HD2 ARG 3 4.962 -9.766 6.196 28 HD3 ARG 3 HD3 ARG 3 4.672 -11.206 7.187 29 HE ARG 3 HE ARG 3 7.103 -11.802 6.300 30 HH11 ARG 3 HH11 ARG 3 5.851 -9.189 8.240 31 HH12 ARG 3 HH12 ARG 3 7.357 -8.392 8.508 32 HH21 ARG 3 HH21 ARG 3 9.225 -10.832 6.652 33 HH22 ARG 3 HH22 ARG 3 9.316 -9.455 7.702 34 H PHE 4 H PHE 4 4.691 -7.912 5.072 35 HA PHE 4 HA PHE 4 1.903 -8.341 4.259 36 HB2 PHE 4 HB2 PHE 4 1.316 -6.895 6.019 37 HB3 PHE 4 HB3 PHE 4 2.532 -7.995 6.623 38 HD1 PHE 4 HD2 PHE 4 2.008 -4.547 5.274 39 HD2 PHE 4 HD1 PHE 4 4.390 -7.098 7.782 40 HE1 PHE 4 HE2 PHE 4 3.479 -2.609 5.915 41 HE2 PHE 4 HE1 PHE 4 5.721 -5.155 8.549 42 HZ PHE 4 HZ PHE 4 5.283 -2.911 7.568 43 H CYS 5 H CYS 5 4.597 -6.182 3.323 44 HA CYS 5 HA CYS 5 2.934 -4.055 2.350 45 HB2 CYS 5 HB2 CYS 5 5.593 -4.492 3.003 46 HB3 CYS 5 HB3 CYS 5 5.659 -4.515 1.250 47 H GLU 6 H GLU 6 3.929 -7.176 1.130 48 HA GLU 6 HA GLU 6 3.556 -6.386 -1.700 49 HB2 GLU 6 HB2 GLU 6 4.601 -8.439 -2.247 50 HB3 GLU 6 HB3 GLU 6 5.506 -7.638 -0.965 51 HG2 GLU 6 HG2 GLU 6 4.578 -9.105 0.684 52 HG3 GLU 6 HG3 GLU 6 3.645 -9.991 -0.537 53 H LEU 7 H LEU 7 1.275 -6.762 0.411 54 HA LEU 7 HA LEU 7 -0.151 -9.068 -0.732 55 HB2 LEU 7 HB2 LEU 7 -1.090 -6.968 1.255 56 HB3 LEU 7 HB3 LEU 7 -1.964 -8.442 0.788 57 HG LEU 7 HG LEU 7 0.636 -8.220 2.335 58 HD11 LEU 7 HD11 LEU 7 -1.556 -7.899 3.522 59 HD12 LEU 7 HD12 LEU 7 -0.591 -9.258 4.124 60 HD13 LEU 7 HD13 LEU 7 -1.995 -9.556 3.079 61 HD21 LEU 7 HD21 LEU 7 0.695 -10.629 2.543 62 HD22 LEU 7 HD22 LEU 7 0.968 -10.125 0.895 63 HD23 LEU 7 HD23 LEU 7 -0.627 -10.797 1.348 64 H ALA 8 H ALA 8 -2.362 -8.716 -1.473 65 HA ALA 8 HA ALA 8 -2.375 -6.546 -3.526 66 HB1 ALA 8 HB1 ALA 8 -4.002 -7.835 -4.754 67 HB2 ALA 8 HB2 ALA 8 -2.576 -8.839 -4.448 68 HB3 ALA 8 HB3 ALA 8 -4.065 -9.068 -3.494 69 HA PRO 9 HA PRO 9 -5.256 -5.014 -0.400 70 HB2 PRO 9 HB2 PRO 9 -6.034 -2.684 -1.612 71 HB3 PRO 9 HB3 PRO 9 -4.466 -2.893 -0.786 72 HG2 PRO 9 HG2 PRO 9 -5.076 -3.044 -3.745 73 HG3 PRO 9 HG3 PRO 9 -3.680 -2.266 -2.946 74 HD2 PRO 9 HD2 PRO 9 -3.572 -4.758 -4.085 75 HD3 PRO 9 HD3 PRO 9 -2.561 -4.285 -2.685 76 H SER 10 H SER 10 -6.979 -6.405 -0.433 77 HA SER 10 HA SER 10 -8.624 -6.791 -2.748 78 HB2 SER 10 HB2 SER 10 -7.934 -8.502 -0.984 79 HB3 SER 10 HB3 SER 10 -9.140 -7.762 0.080 80 HG SER 10 HG SER 10 -9.605 -8.932 -2.496 81 H ALA 11 H ALA 11 -8.809 -4.218 -2.599 82 HA ALA 11 HA ALA 11 -10.676 -3.026 -0.767 83 HB1 ALA 11 HB1 ALA 11 -10.724 -1.174 -2.393 84 HB2 ALA 11 HB2 ALA 11 -9.053 -1.713 -2.106 85 HB3 ALA 11 HB3 ALA 11 -9.907 -2.181 -3.602 86 H GLY 12 H GLY 12 -11.067 -4.895 -3.752 87 HA2 GLY 12 HA2 GLY 12 -13.681 -4.208 -4.477 88 HA3 GLY 12 HA3 GLY 12 -12.884 -5.757 -4.789 89 H SER 13 H SER 13 -12.618 -6.050 -1.663 90 HA SER 13 HA SER 13 -14.845 -7.702 -1.266 91 HB2 SER 13 HB2 SER 13 -12.816 -6.437 0.581 92 HB3 SER 13 HB3 SER 13 -13.968 -7.652 1.124 93 HG SER 13 HG SER 13 -12.045 -8.599 0.569 94 H CYS 14 H CYS 14 -14.675 -4.222 -0.875 95 HA CYS 14 HA CYS 14 -17.386 -4.126 0.297 96 HB2 CYS 14 HB2 CYS 14 -14.956 -2.701 1.448 97 HB3 CYS 14 HB3 CYS 14 -16.640 -2.443 1.920 98 H PHE 15 H PHE 15 -17.976 -1.546 0.331 99 HA PHE 15 HA PHE 15 -16.899 -0.376 -2.210 100 HB2 PHE 15 HB2 PHE 15 -19.139 -1.109 -2.727 101 HB3 PHE 15 HB3 PHE 15 -19.755 -0.501 -1.203 102 HD1 PHE 15 HD1 PHE 15 -20.035 2.008 -0.824 103 HD2 PHE 15 HD2 PHE 15 -18.905 0.400 -4.665 104 HE1 PHE 15 HE1 PHE 15 -20.389 4.198 -1.850 105 HE2 PHE 15 HE2 PHE 15 -19.347 2.583 -5.703 106 HZ PHE 15 HZ PHE 15 -20.025 4.520 -4.294 107 H ALA 16 H ALA 16 -15.595 1.188 -1.500 108 HA ALA 16 HA ALA 16 -16.690 3.311 0.034 109 HB1 ALA 16 HB1 ALA 16 -15.907 2.947 2.068 110 HB2 ALA 16 HB2 ALA 16 -15.372 1.344 1.561 111 HB3 ALA 16 HB3 ALA 16 -14.263 2.769 1.468 112 H PHE 17 H PHE 17 -15.120 5.172 0.069 113 HA PHE 17 HA PHE 17 -13.039 4.946 -2.060 114 HB2 PHE 17 HB2 PHE 17 -15.019 5.951 -3.002 115 HB3 PHE 17 HB3 PHE 17 -15.140 7.077 -1.648 116 HD1 PHE 17 HD2 PHE 17 -12.146 6.114 -3.755 117 HD2 PHE 17 HD1 PHE 17 -14.888 9.241 -2.596 118 HE1 PHE 17 HE2 PHE 17 -10.719 7.766 -4.882 119 HE2 PHE 17 HE1 PHE 17 -13.491 10.889 -3.810 120 HZ PHE 17 HZ PHE 17 -11.390 10.163 -4.929 121 H VAL 18 H VAL 18 -11.280 4.924 -0.803 122 HA VAL 18 HA VAL 18 -10.623 7.327 0.707 123 HB VAL 18 HB VAL 18 -9.570 5.853 2.504 124 HG11 VAL 18 HG11 VAL 18 -11.553 6.036 3.868 125 HG12 VAL 18 HG12 VAL 18 -11.529 7.401 2.736 126 HG13 VAL 18 HG13 VAL 18 -12.609 6.033 2.439 127 HG21 VAL 18 HG21 VAL 18 -10.776 3.782 3.087 128 HG22 VAL 18 HG22 VAL 18 -11.737 3.902 1.600 129 HG23 VAL 18 HG23 VAL 18 -9.986 3.604 1.517 130 HA PRO 19 HA PRO 19 -7.430 6.061 -2.314 131 HB2 PRO 19 HB2 PRO 19 -6.195 8.518 -2.597 132 HB3 PRO 19 HB3 PRO 19 -7.662 7.995 -3.490 133 HG2 PRO 19 HG2 PRO 19 -7.518 9.694 -0.990 134 HG3 PRO 19 HG3 PRO 19 -8.492 9.971 -2.468 135 HD2 PRO 19 HD2 PRO 19 -9.546 8.839 -0.241 136 HD3 PRO 19 HD3 PRO 19 -10.032 8.272 -1.876 137 H SER 20 H SER 20 -5.870 4.883 -1.392 138 HA SER 20 HA SER 20 -4.284 5.987 0.847 139 HB2 SER 20 HB2 SER 20 -5.265 3.157 0.581 140 HB3 SER 20 HB3 SER 20 -4.377 3.868 1.934 141 HG SER 20 HG SER 20 -6.966 4.545 0.954 142 H TYR 21 H TYR 21 -2.191 4.032 0.871 143 HA TYR 21 HA TYR 21 -0.883 4.558 -1.778 144 HB2 TYR 21 HB2 TYR 21 0.122 4.867 1.000 145 HB3 TYR 21 HB3 TYR 21 1.240 4.170 -0.152 146 HD1 TYR 21 HD2 TYR 21 2.087 5.465 -2.137 147 HD2 TYR 21 HD1 TYR 21 -0.621 7.173 0.777 148 HE1 TYR 21 HE2 TYR 21 2.442 7.706 -3.098 149 HE2 TYR 21 HE1 TYR 21 -0.174 9.396 -0.100 150 HH TYR 21 HH TYR 21 0.830 10.656 -1.966 151 H TYR 22 H TYR 22 0.205 3.073 -2.790 152 HA TYR 22 HA TYR 22 0.045 0.219 -1.964 153 HB2 TYR 22 HB2 TYR 22 -0.935 1.281 -4.343 154 HB3 TYR 22 HB3 TYR 22 0.751 1.264 -4.720 155 HD1 TYR 22 HD1 TYR 22 1.973 -0.806 -5.155 156 HD2 TYR 22 HD2 TYR 22 -2.231 -0.793 -4.169 157 HE1 TYR 22 HE1 TYR 22 1.787 -3.132 -5.931 158 HE2 TYR 22 HE2 TYR 22 -2.432 -3.077 -5.060 159 HH TYR 22 HH TYR 22 -1.296 -4.956 -5.991 160 H TYR 23 H TYR 23 1.953 -1.067 -2.555 161 HA TYR 23 HA TYR 23 4.566 0.373 -2.683 162 HB2 TYR 23 HB2 TYR 23 4.261 -0.596 -0.468 163 HB3 TYR 23 HB3 TYR 23 3.676 -2.095 -1.147 164 HD1 TYR 23 HD1 TYR 23 6.720 0.126 -1.212 165 HD2 TYR 23 HD2 TYR 23 5.177 -3.901 -1.445 166 HE1 TYR 23 HE1 TYR 23 9.024 -0.773 -1.203 167 HE2 TYR 23 HE2 TYR 23 7.485 -4.781 -1.402 168 HH TYR 23 HH TYR 23 10.275 -2.851 -0.807 169 H ASN 24 H ASN 24 5.719 -0.196 -4.506 170 HA ASN 24 HA ASN 24 5.043 -2.791 -5.873 171 HB2 ASN 24 HB2 ASN 24 5.706 -0.087 -7.083 172 HB3 ASN 24 HB3 ASN 24 5.999 -1.577 -7.950 173 HD21 ASN 24 HD21 ASN 24 3.785 -3.199 -7.727 174 HD22 ASN 24 HD22 ASN 24 2.443 -2.299 -8.394 175 H GLN 25 H GLN 25 6.654 -3.998 -4.815 176 HA GLN 25 HA GLN 25 9.326 -3.204 -4.404 177 HB2 GLN 25 HB2 GLN 25 9.882 -5.690 -4.509 178 HB3 GLN 25 HB3 GLN 25 8.784 -5.162 -3.266 179 HG2 GLN 25 HG2 GLN 25 7.748 -6.335 -5.888 180 HG3 GLN 25 HG3 GLN 25 8.290 -7.341 -4.542 181 HE21 GLN 25 HE21 GLN 25 5.484 -5.592 -5.723 182 HE22 GLN 25 HE22 GLN 25 4.645 -5.689 -4.208 183 H TYR 26 H TYR 26 7.790 -4.274 -7.374 184 HA TYR 26 HA TYR 26 9.961 -5.110 -8.913 185 HB2 TYR 26 HB2 TYR 26 7.449 -3.568 -9.709 186 HB3 TYR 26 HB3 TYR 26 8.526 -4.367 -10.836 187 HD1 TYR 26 HD2 TYR 26 8.687 -6.816 -10.964 188 HD2 TYR 26 HD1 TYR 26 5.895 -4.894 -8.298 189 HE1 TYR 26 HE2 TYR 26 7.463 -8.942 -10.718 190 HE2 TYR 26 HE1 TYR 26 4.660 -7.052 -8.050 191 HH TYR 26 HH TYR 26 5.242 -9.725 -10.172 192 H SER 27 H SER 27 8.816 -1.810 -8.211 193 HA SER 27 HA SER 27 11.153 -0.663 -9.676 194 HB2 SER 27 HB2 SER 27 8.865 -0.124 -10.504 195 HB3 SER 27 HB3 SER 27 8.477 0.560 -8.919 196 HG SER 27 HG SER 27 9.086 2.136 -10.406 197 H ASN 28 H ASN 28 10.253 -1.625 -6.654 198 HA ASN 28 HA ASN 28 10.593 -1.105 -4.549 199 HB2 ASN 28 HB2 ASN 28 12.842 -1.766 -5.477 200 HB3 ASN 28 HB3 ASN 28 13.228 -0.047 -5.572 201 HD21 ASN 28 HD21 ASN 28 14.391 0.561 -3.879 202 HD22 ASN 28 HD22 ASN 28 14.463 -0.189 -2.281 203 H THR 29 H THR 29 8.800 0.497 -5.157 204 HA THR 29 HA THR 29 9.376 2.949 -3.810 205 HB THR 29 HB THR 29 10.067 3.375 -6.208 206 HG1 THR 29 HG1 THR 29 9.726 5.301 -5.696 207 HG21 THR 29 HG21 THR 29 8.182 2.174 -7.340 208 HG22 THR 29 HG22 THR 29 8.399 3.848 -7.880 209 HG23 THR 29 HG23 THR 29 7.078 3.448 -6.775 210 H CYS 30 H CYS 30 7.105 4.263 -4.085 211 HA CYS 30 HA CYS 30 4.844 2.354 -3.702 212 HB2 CYS 30 HB2 CYS 30 5.509 4.826 -2.137 213 HB3 CYS 30 HB3 CYS 30 4.137 3.778 -1.817 214 H HIS 31 H HIS 31 2.726 3.385 -4.112 215 HA HIS 31 HA HIS 31 2.741 6.039 -5.387 216 HB2 HIS 31 HB2 HIS 31 3.273 4.009 -7.034 217 HB3 HIS 31 HB3 HIS 31 1.551 3.683 -6.896 218 HD1 HIS 31 HD1 HIS 31 0.582 4.643 -9.178 219 HD2 HIS 31 HD2 HIS 31 3.532 7.001 -7.320 220 HE1 HIS 31 HE1 HIS 31 0.966 6.618 -10.719 221 H SER 32 H SER 32 0.586 7.009 -5.302 222 HA SER 32 HA SER 32 -1.104 5.849 -3.306 223 HB2 SER 32 HB2 SER 32 -2.579 7.737 -4.003 224 HB3 SER 32 HB3 SER 32 -0.970 8.202 -3.418 225 HG SER 32 HG SER 32 -1.648 9.227 -5.464 226 H PHE 33 H PHE 33 -3.064 4.812 -3.555 227 HA PHE 33 HA PHE 33 -4.146 4.310 -6.238 228 HB2 PHE 33 HB2 PHE 33 -4.148 2.011 -6.190 229 HB3 PHE 33 HB3 PHE 33 -2.537 2.411 -5.611 230 HD1 PHE 33 HD2 PHE 33 -2.158 2.367 -3.138 231 HD2 PHE 33 HD1 PHE 33 -5.701 0.738 -4.837 232 HE1 PHE 33 HE2 PHE 33 -2.303 0.643 -1.283 233 HE2 PHE 33 HE1 PHE 33 -6.153 -0.505 -2.746 234 HZ PHE 33 HZ PHE 33 -4.395 -0.424 -0.856 235 H THR 34 H THR 34 -6.159 2.735 -5.652 236 HA THR 34 HA THR 34 -7.821 4.407 -3.765 237 HB THR 34 HB THR 34 -9.778 3.433 -5.049 238 HG1 THR 34 HG1 THR 34 -9.454 2.354 -6.732 239 HG21 THR 34 HG21 THR 34 -9.040 5.770 -5.291 240 HG22 THR 34 HG22 THR 34 -9.578 5.108 -6.841 241 HG23 THR 34 HG23 THR 34 -7.846 5.286 -6.505 242 H TYR 35 H TYR 35 -8.501 3.596 -1.856 243 HA TYR 35 HA TYR 35 -8.662 0.653 -1.571 244 HB2 TYR 35 HB2 TYR 35 -6.772 1.777 -0.383 245 HB3 TYR 35 HB3 TYR 35 -7.953 2.586 0.625 246 HD1 TYR 35 HD1 TYR 35 -6.837 -0.818 -0.552 247 HD2 TYR 35 HD2 TYR 35 -8.552 1.517 2.649 248 HE1 TYR 35 HE1 TYR 35 -6.384 -2.651 1.032 249 HE2 TYR 35 HE2 TYR 35 -8.189 -0.368 4.212 250 HH TYR 35 HH TYR 35 -6.779 -2.258 4.515 251 H SER 36 H SER 36 -10.149 0.150 0.570 252 HA SER 36 HA SER 36 -12.460 1.981 0.618 253 HB2 SER 36 HB2 SER 36 -12.531 -1.025 0.190 254 HB3 SER 36 HB3 SER 36 -13.945 -0.012 0.484 255 HG SER 36 HG SER 36 -13.157 1.251 -1.416 256 H GLY 37 H GLY 37 -14.052 0.975 2.505 257 HA2 GLY 37 HA2 GLY 37 -12.677 1.464 4.960 258 HA3 GLY 37 HA3 GLY 37 -14.375 1.026 4.735 259 H CYS 38 H CYS 38 -14.963 -1.254 4.584 260 HA CYS 38 HA CYS 38 -13.127 -2.929 6.130 261 HB2 CYS 38 HB2 CYS 38 -14.848 -4.652 5.900 262 HB3 CYS 38 HB3 CYS 38 -15.441 -3.144 6.548 263 H GLY 39 H GLY 39 -12.918 -5.364 5.089 264 HA2 GLY 39 HA2 GLY 39 -12.000 -6.622 3.345 265 HA3 GLY 39 HA3 GLY 39 -12.464 -5.318 2.234 266 H GLY 40 H GLY 40 -10.403 -5.558 1.184 267 HA2 GLY 40 HA2 GLY 40 -8.318 -4.728 0.725 268 HA3 GLY 40 HA3 GLY 40 -8.502 -3.714 2.143 269 H ASN 41 H ASN 41 -5.992 -4.601 1.638 270 HA ASN 41 HA ASN 41 -5.530 -6.638 3.747 271 HB2 ASN 41 HB2 ASN 41 -4.238 -6.613 1.001 272 HB3 ASN 41 HB3 ASN 41 -3.617 -7.524 2.362 273 HD21 ASN 41 HD21 ASN 41 -4.526 -9.537 2.893 274 HD22 ASN 41 HD22 ASN 41 -5.847 -10.203 1.939 275 H ALA 42 H ALA 42 -3.182 -6.677 4.480 276 HA ALA 42 HA ALA 42 -2.494 -4.307 5.595 277 HB1 ALA 42 HB1 ALA 42 -0.489 -5.398 6.333 278 HB2 ALA 42 HB2 ALA 42 -1.824 -6.575 6.346 279 HB3 ALA 42 HB3 ALA 42 -0.611 -6.594 5.029 280 H ASN 43 H ASN 43 -1.844 -5.040 2.256 281 HA ASN 43 HA ASN 43 0.601 -3.559 1.964 282 HB2 ASN 43 HB2 ASN 43 0.286 -4.630 0.012 283 HB3 ASN 43 HB3 ASN 43 -1.443 -4.798 0.251 284 HD21 ASN 43 HD21 ASN 43 0.660 -3.596 -2.018 285 HD22 ASN 43 HD22 ASN 43 -0.474 -2.455 -2.653 286 H ARG 44 H ARG 44 -2.616 -2.522 2.810 287 HA ARG 44 HA ARG 44 -2.540 0.004 1.605 288 HB2 ARG 44 HB2 ARG 44 -4.579 -1.139 2.528 289 HB3 ARG 44 HB3 ARG 44 -4.007 -0.823 4.159 290 HG2 ARG 44 HG2 ARG 44 -3.923 1.722 2.932 291 HG3 ARG 44 HG3 ARG 44 -5.344 0.968 2.229 292 HD2 ARG 44 HD2 ARG 44 -6.089 0.574 4.655 293 HD3 ARG 44 HD3 ARG 44 -4.691 1.531 5.138 294 HE ARG 44 HE ARG 44 -6.050 3.006 3.184 295 HH11 ARG 44 HH11 ARG 44 -6.590 1.915 6.519 296 HH12 ARG 44 HH12 ARG 44 -7.817 3.066 6.875 297 HH21 ARG 44 HH21 ARG 44 -7.543 4.665 3.678 298 HH22 ARG 44 HH22 ARG 44 -8.479 4.590 5.152 299 H PHE 45 H PHE 45 -1.563 1.839 2.117 300 HA PHE 45 HA PHE 45 -0.613 2.347 4.854 301 HB2 PHE 45 HB2 PHE 45 0.989 2.230 2.326 302 HB3 PHE 45 HB3 PHE 45 1.313 3.595 3.385 303 HD1 PHE 45 HD2 PHE 45 0.742 -0.147 3.691 304 HD2 PHE 45 HD1 PHE 45 2.922 3.308 5.047 305 HE1 PHE 45 HE2 PHE 45 1.688 -1.484 5.483 306 HE2 PHE 45 HE1 PHE 45 3.983 1.917 6.818 307 HZ PHE 45 HZ PHE 45 3.350 -0.468 7.071 308 H ARG 46 H ARG 46 -0.140 4.732 5.177 309 HA ARG 46 HA ARG 46 -2.357 6.283 3.915 310 HB2 ARG 46 HB2 ARG 46 -1.868 7.851 5.963 311 HB3 ARG 46 HB3 ARG 46 -2.908 6.451 6.070 312 HG2 ARG 46 HG2 ARG 46 -1.473 6.712 8.040 313 HG3 ARG 46 HG3 ARG 46 -1.309 5.172 7.242 314 HD2 ARG 46 HD2 ARG 46 0.859 5.830 7.935 315 HD3 ARG 46 HD3 ARG 46 0.856 5.988 6.203 316 HE ARG 46 HE ARG 46 0.866 8.324 6.335 317 HH11 ARG 46 HH11 ARG 46 1.280 6.749 9.575 318 HH12 ARG 46 HH12 ARG 46 2.133 8.098 10.204 319 HH21 ARG 46 HH21 ARG 46 1.674 10.218 7.410 320 HH22 ARG 46 HH22 ARG 46 2.492 10.041 8.927 321 H THR 47 H THR 47 1.109 6.087 3.957 322 HA THR 47 HA THR 47 1.112 8.307 2.195 323 HB THR 47 HB THR 47 1.266 9.436 4.432 324 HG1 THR 47 HG1 THR 47 2.193 10.646 2.930 325 HG21 THR 47 HG21 THR 47 4.053 8.251 4.601 326 HG22 THR 47 HG22 THR 47 2.720 7.513 5.449 327 HG23 THR 47 HG23 THR 47 3.209 9.195 5.816 328 H ILE 48 H ILE 48 3.054 8.505 1.008 329 HA ILE 48 HA ILE 48 4.392 6.043 0.456 330 HB ILE 48 HB ILE 48 4.107 7.575 -1.284 331 HG12 ILE 48 HG12 ILE 48 7.052 7.805 -0.590 332 HG13 ILE 48 HG13 ILE 48 6.291 6.338 -1.118 333 HG21 ILE 48 HG21 ILE 48 5.579 9.751 0.268 334 HG22 ILE 48 HG22 ILE 48 4.977 9.886 -1.388 335 HG23 ILE 48 HG23 ILE 48 3.834 9.732 -0.086 336 HD11 ILE 48 HD11 ILE 48 6.467 8.903 -2.743 337 HD12 ILE 48 HD12 ILE 48 7.220 7.336 -3.095 338 HD13 ILE 48 HD13 ILE 48 5.470 7.498 -3.187 339 H ASP 49 H ASP 49 4.985 8.765 2.628 340 HA ASP 49 HA ASP 49 7.762 8.441 3.007 341 HB2 ASP 49 HB2 ASP 49 5.694 10.084 4.024 342 HB3 ASP 49 HB3 ASP 49 6.416 9.284 5.431 343 H GLU 50 H GLU 50 4.995 6.747 4.485 344 HA GLU 50 HA GLU 50 6.620 5.379 6.477 345 HB2 GLU 50 HB2 GLU 50 3.691 5.367 5.667 346 HB3 GLU 50 HB3 GLU 50 4.360 4.190 6.792 347 HG2 GLU 50 HG2 GLU 50 4.437 7.201 7.214 348 HG3 GLU 50 HG3 GLU 50 3.248 6.089 7.912 349 H CYS 51 H CYS 51 4.751 4.773 3.453 350 HA CYS 51 HA CYS 51 5.187 2.030 3.314 351 HB2 CYS 51 HB2 CYS 51 3.548 3.046 1.934 352 HB3 CYS 51 HB3 CYS 51 4.718 4.151 1.204 353 H ASN 52 H ASN 52 7.177 4.677 1.915 354 HA ASN 52 HA ASN 52 9.018 2.846 0.804 355 HB2 ASN 52 HB2 ASN 52 10.087 4.571 -0.165 356 HB3 ASN 52 HB3 ASN 52 8.546 5.317 0.083 357 HD21 ASN 52 HD21 ASN 52 8.466 7.137 1.383 358 HD22 ASN 52 HD22 ASN 52 9.927 7.922 2.012 359 H ARG 53 H ARG 53 9.287 5.008 3.671 360 HA ARG 53 HA ARG 53 11.725 3.919 4.415 361 HB2 ARG 53 HB2 ARG 53 11.582 4.981 6.476 362 HB3 ARG 53 HB3 ARG 53 10.493 5.928 5.436 363 HG2 ARG 53 HG2 ARG 53 8.571 4.687 6.419 364 HG3 ARG 53 HG3 ARG 53 9.666 3.802 7.473 365 HD2 ARG 53 HD2 ARG 53 8.583 5.633 8.669 366 HD3 ARG 53 HD3 ARG 53 10.351 5.826 8.608 367 HE ARG 53 HE ARG 53 9.122 7.235 6.452 368 HH11 ARG 53 HH11 ARG 53 9.277 7.360 10.004 369 HH12 ARG 53 HH12 ARG 53 9.268 9.078 10.106 370 HH21 ARG 53 HH21 ARG 53 9.163 9.634 6.600 371 HH22 ARG 53 HH22 ARG 53 9.208 10.381 8.131 372 H THR 54 H THR 54 8.664 2.305 4.826 373 HA THR 54 HA THR 54 9.901 0.325 6.597 374 HB THR 54 HB THR 54 7.644 1.628 6.845 375 HG1 THR 54 HG1 THR 54 8.596 0.266 8.260 376 HG21 THR 54 HG21 THR 54 5.706 0.571 6.125 377 HG22 THR 54 HG22 THR 54 6.543 -0.915 5.631 378 HG23 THR 54 HG23 THR 54 6.712 0.591 4.677 379 H CYS 55 H CYS 55 9.308 0.537 3.174 380 HA CYS 55 HA CYS 55 9.860 -2.396 3.022 381 HB2 CYS 55 HB2 CYS 55 7.799 -1.003 1.303 382 HB3 CYS 55 HB3 CYS 55 8.153 -2.736 1.370 383 H VAL 56 H VAL 56 10.334 0.745 1.658 384 HA VAL 56 HA VAL 56 11.509 -0.298 -0.870 385 HB VAL 56 HB VAL 56 11.213 2.498 0.251 386 HG11 VAL 56 HG11 VAL 56 12.487 1.794 -2.361 387 HG12 VAL 56 HG12 VAL 56 11.955 3.406 -1.853 388 HG13 VAL 56 HG13 VAL 56 13.255 2.599 -0.972 389 HG21 VAL 56 HG21 VAL 56 9.651 2.771 -1.633 390 HG22 VAL 56 HG22 VAL 56 10.027 1.132 -2.200 391 HG23 VAL 56 HG23 VAL 56 9.152 1.378 -0.682 392 H GLY 57 H GLY 57 13.217 -1.578 -0.305 393 HA2 GLY 57 HA2 GLY 57 15.080 -0.874 1.809 394 HA3 GLY 57 HA3 GLY 57 15.262 -2.186 0.635 Start of MODEL 9 1 H1 ARG 1 H ARG 1 12.809 -4.585 3.016 2 HA ARG 1 HA ARG 1 10.513 -4.136 3.245 3 HB2 ARG 1 HB2 ARG 1 9.563 -4.863 1.097 4 HB3 ARG 1 HB3 ARG 1 11.159 -4.151 1.006 5 HG2 ARG 1 HG2 ARG 1 11.579 -6.988 1.092 6 HG3 ARG 1 HG3 ARG 1 10.247 -6.673 0.004 7 HD2 ARG 1 HD2 ARG 1 12.253 -6.591 -1.280 8 HD3 ARG 1 HD3 ARG 1 11.594 -4.968 -1.201 9 HE ARG 1 HE ARG 1 13.685 -5.624 0.803 10 HH11 ARG 1 HH11 ARG 1 13.065 -4.375 -2.466 11 HH12 ARG 1 HH12 ARG 1 14.687 -3.815 -2.691 12 HH21 ARG 1 HH21 ARG 1 15.726 -4.642 0.606 13 HH22 ARG 1 HH22 ARG 1 16.172 -3.817 -0.876 14 HA PRO 2 HA PRO 2 8.742 -7.476 5.555 15 HB2 PRO 2 HB2 PRO 2 6.543 -6.220 6.500 16 HB3 PRO 2 HB3 PRO 2 8.170 -5.875 7.135 17 HG2 PRO 2 HG2 PRO 2 6.646 -4.351 5.007 18 HG3 PRO 2 HG3 PRO 2 7.475 -3.655 6.437 19 HD2 PRO 2 HD2 PRO 2 8.702 -3.694 4.032 20 HD3 PRO 2 HD3 PRO 2 9.614 -4.073 5.524 21 H ARG 3 H ARG 3 7.443 -9.058 4.798 22 HA ARG 3 HA ARG 3 6.242 -8.932 2.264 23 HB2 ARG 3 HB2 ARG 3 5.474 -11.133 2.597 24 HB3 ARG 3 HB3 ARG 3 6.988 -10.982 3.483 25 HG2 ARG 3 HG2 ARG 3 5.783 -12.078 5.080 26 HG3 ARG 3 HG3 ARG 3 5.327 -10.432 5.527 27 HD2 ARG 3 HD2 ARG 3 3.258 -10.741 4.017 28 HD3 ARG 3 HD3 ARG 3 3.769 -12.421 3.819 29 HE ARG 3 HE ARG 3 3.554 -11.497 6.596 30 HH11 ARG 3 HH11 ARG 3 1.729 -13.048 3.880 31 HH12 ARG 3 HH12 ARG 3 0.652 -13.829 4.986 32 HH21 ARG 3 HH21 ARG 3 2.084 -12.602 7.970 33 HH22 ARG 3 HH22 ARG 3 1.121 -13.859 7.295 34 H PHE 4 H PHE 4 4.785 -7.719 5.228 35 HA PHE 4 HA PHE 4 2.069 -8.126 4.326 36 HB2 PHE 4 HB2 PHE 4 1.384 -6.722 6.048 37 HB3 PHE 4 HB3 PHE 4 2.756 -7.606 6.687 38 HD1 PHE 4 HD2 PHE 4 1.739 -4.331 5.155 39 HD2 PHE 4 HD1 PHE 4 4.554 -6.397 7.685 40 HE1 PHE 4 HE2 PHE 4 2.716 -2.186 5.797 41 HE2 PHE 4 HE1 PHE 4 5.627 -4.235 8.240 42 HZ PHE 4 HZ PHE 4 4.712 -2.107 7.320 43 H CYS 5 H CYS 5 4.607 -5.879 3.396 44 HA CYS 5 HA CYS 5 2.940 -3.857 2.243 45 HB2 CYS 5 HB2 CYS 5 5.584 -4.233 3.010 46 HB3 CYS 5 HB3 CYS 5 5.729 -4.325 1.275 47 H GLU 6 H GLU 6 4.038 -7.054 1.194 48 HA GLU 6 HA GLU 6 3.633 -6.367 -1.643 49 HB2 GLU 6 HB2 GLU 6 4.834 -8.201 -2.240 50 HB3 GLU 6 HB3 GLU 6 5.607 -7.709 -0.752 51 HG2 GLU 6 HG2 GLU 6 4.007 -9.557 0.301 52 HG3 GLU 6 HG3 GLU 6 3.834 -10.098 -1.347 53 H LEU 7 H LEU 7 1.392 -6.959 0.616 54 HA LEU 7 HA LEU 7 -0.047 -9.166 -0.596 55 HB2 LEU 7 HB2 LEU 7 -0.989 -7.032 1.344 56 HB3 LEU 7 HB3 LEU 7 -1.825 -8.552 0.970 57 HG LEU 7 HG LEU 7 0.786 -8.177 2.466 58 HD11 LEU 7 HD11 LEU 7 -0.404 -9.049 4.332 59 HD12 LEU 7 HD12 LEU 7 -1.787 -9.544 3.330 60 HD13 LEU 7 HD13 LEU 7 -1.462 -7.828 3.599 61 HD21 LEU 7 HD21 LEU 7 -0.469 -10.830 1.741 62 HD22 LEU 7 HD22 LEU 7 0.896 -10.573 2.850 63 HD23 LEU 7 HD23 LEU 7 1.092 -10.201 1.142 64 H ALA 8 H ALA 8 -2.328 -8.804 -1.260 65 HA ALA 8 HA ALA 8 -2.409 -6.703 -3.340 66 HB1 ALA 8 HB1 ALA 8 -3.902 -8.018 -4.500 67 HB2 ALA 8 HB2 ALA 8 -2.683 -9.143 -3.892 68 HB3 ALA 8 HB3 ALA 8 -4.281 -9.049 -3.110 69 HA PRO 9 HA PRO 9 -5.367 -4.918 -0.333 70 HB2 PRO 9 HB2 PRO 9 -5.105 -2.328 -0.958 71 HB3 PRO 9 HB3 PRO 9 -3.775 -3.215 -0.170 72 HG2 PRO 9 HG2 PRO 9 -4.143 -2.652 -3.143 73 HG3 PRO 9 HG3 PRO 9 -2.681 -2.383 -2.135 74 HD2 PRO 9 HD2 PRO 9 -3.083 -4.647 -3.649 75 HD3 PRO 9 HD3 PRO 9 -2.156 -4.621 -2.126 76 H SER 10 H SER 10 -6.808 -6.271 -1.747 77 HA SER 10 HA SER 10 -8.216 -5.180 -3.940 78 HB2 SER 10 HB2 SER 10 -7.858 -7.600 -3.038 79 HB3 SER 10 HB3 SER 10 -9.349 -7.326 -2.136 80 HG SER 10 HG SER 10 -9.524 -8.294 -4.276 81 H ALA 11 H ALA 11 -9.111 -3.161 -3.549 82 HA ALA 11 HA ALA 11 -10.507 -2.426 -1.175 83 HB1 ALA 11 HB1 ALA 11 -11.158 -0.435 -2.494 84 HB2 ALA 11 HB2 ALA 11 -9.442 -0.836 -2.745 85 HB3 ALA 11 HB3 ALA 11 -10.639 -1.241 -3.983 86 H GLY 12 H GLY 12 -11.592 -4.443 -3.745 87 HA2 GLY 12 HA2 GLY 12 -14.382 -3.619 -3.636 88 HA3 GLY 12 HA3 GLY 12 -13.722 -5.005 -4.497 89 H SER 13 H SER 13 -12.486 -5.577 -1.554 90 HA SER 13 HA SER 13 -14.340 -7.611 -0.907 91 HB2 SER 13 HB2 SER 13 -12.154 -6.345 0.766 92 HB3 SER 13 HB3 SER 13 -12.862 -7.959 1.015 93 HG SER 13 HG SER 13 -10.796 -7.753 -0.253 94 H CYS 14 H CYS 14 -14.642 -4.274 -0.250 95 HA CYS 14 HA CYS 14 -17.037 -4.626 1.354 96 HB2 CYS 14 HB2 CYS 14 -15.238 -4.489 3.118 97 HB3 CYS 14 HB3 CYS 14 -14.604 -3.056 2.287 98 H PHE 15 H PHE 15 -18.392 -2.786 0.585 99 HA PHE 15 HA PHE 15 -17.043 -1.277 -1.541 100 HB2 PHE 15 HB2 PHE 15 -19.287 -2.199 -1.842 101 HB3 PHE 15 HB3 PHE 15 -19.892 -1.231 -0.516 102 HD1 PHE 15 HD1 PHE 15 -19.848 1.382 -0.745 103 HD2 PHE 15 HD2 PHE 15 -19.296 -1.346 -4.049 104 HE1 PHE 15 HE1 PHE 15 -20.384 3.179 -2.313 105 HE2 PHE 15 HE2 PHE 15 -19.981 0.446 -5.620 106 HZ PHE 15 HZ PHE 15 -20.521 2.708 -4.768 107 H ALA 16 H ALA 16 -15.757 0.328 -0.925 108 HA ALA 16 HA ALA 16 -16.816 2.609 0.419 109 HB1 ALA 16 HB1 ALA 16 -14.935 2.784 2.075 110 HB2 ALA 16 HB2 ALA 16 -16.105 1.499 2.439 111 HB3 ALA 16 HB3 ALA 16 -14.546 1.090 1.724 112 H PHE 17 H PHE 17 -15.379 4.454 -0.018 113 HA PHE 17 HA PHE 17 -13.289 3.905 -2.074 114 HB2 PHE 17 HB2 PHE 17 -15.385 4.482 -3.154 115 HB3 PHE 17 HB3 PHE 17 -15.479 5.986 -2.238 116 HD1 PHE 17 HD2 PHE 17 -12.480 4.444 -3.994 117 HD2 PHE 17 HD1 PHE 17 -15.384 7.652 -3.939 118 HE1 PHE 17 HE2 PHE 17 -11.241 5.619 -5.761 119 HE2 PHE 17 HE1 PHE 17 -14.112 8.800 -5.734 120 HZ PHE 17 HZ PHE 17 -12.032 7.806 -6.624 121 H VAL 18 H VAL 18 -11.482 4.371 -0.916 122 HA VAL 18 HA VAL 18 -11.151 7.162 -0.028 123 HB VAL 18 HB VAL 18 -9.888 6.252 1.989 124 HG11 VAL 18 HG11 VAL 18 -11.901 6.216 3.365 125 HG12 VAL 18 HG12 VAL 18 -12.089 7.432 2.092 126 HG13 VAL 18 HG13 VAL 18 -12.919 5.871 1.956 127 HG21 VAL 18 HG21 VAL 18 -9.851 3.830 1.422 128 HG22 VAL 18 HG22 VAL 18 -10.697 4.115 2.947 129 HG23 VAL 18 HG23 VAL 18 -11.624 3.791 1.471 130 HA PRO 19 HA PRO 19 -7.621 6.117 -2.656 131 HB2 PRO 19 HB2 PRO 19 -6.246 8.528 -2.491 132 HB3 PRO 19 HB3 PRO 19 -7.554 8.187 -3.640 133 HG2 PRO 19 HG2 PRO 19 -7.659 9.713 -1.058 134 HG3 PRO 19 HG3 PRO 19 -8.571 9.993 -2.573 135 HD2 PRO 19 HD2 PRO 19 -9.624 8.767 -0.318 136 HD3 PRO 19 HD3 PRO 19 -10.209 8.450 -1.980 137 H SER 20 H SER 20 -5.874 4.991 -1.898 138 HA SER 20 HA SER 20 -4.509 5.995 0.549 139 HB2 SER 20 HB2 SER 20 -6.319 4.328 1.018 140 HB3 SER 20 HB3 SER 20 -5.385 3.188 0.048 141 HG SER 20 HG SER 20 -4.186 4.444 2.287 142 H TYR 21 H TYR 21 -2.394 4.190 0.697 143 HA TYR 21 HA TYR 21 -1.097 4.611 -1.968 144 HB2 TYR 21 HB2 TYR 21 -0.312 5.027 0.851 145 HB3 TYR 21 HB3 TYR 21 0.851 4.384 -0.231 146 HD1 TYR 21 HD2 TYR 21 1.859 5.833 -2.180 147 HD2 TYR 21 HD1 TYR 21 -1.028 7.298 0.721 148 HE1 TYR 21 HE2 TYR 21 2.381 8.085 -2.830 149 HE2 TYR 21 HE1 TYR 21 -0.372 9.606 0.174 150 HH TYR 21 HH TYR 21 1.181 10.921 -0.954 151 H TYR 22 H TYR 22 -0.124 3.044 -3.050 152 HA TYR 22 HA TYR 22 -0.172 0.250 -1.998 153 HB2 TYR 22 HB2 TYR 22 -1.308 1.158 -4.218 154 HB3 TYR 22 HB3 TYR 22 0.286 1.188 -4.855 155 HD1 TYR 22 HD1 TYR 22 1.691 -0.945 -4.948 156 HD2 TYR 22 HD2 TYR 22 -2.563 -0.861 -4.275 157 HE1 TYR 22 HE1 TYR 22 1.560 -3.277 -5.644 158 HE2 TYR 22 HE2 TYR 22 -2.732 -3.171 -5.102 159 HH TYR 22 HH TYR 22 -1.548 -5.085 -5.917 160 H TYR 23 H TYR 23 1.740 -0.812 -1.707 161 HA TYR 23 HA TYR 23 4.340 0.483 -2.413 162 HB2 TYR 23 HB2 TYR 23 4.177 -0.598 -0.234 163 HB3 TYR 23 HB3 TYR 23 3.635 -2.083 -0.976 164 HD1 TYR 23 HD1 TYR 23 6.632 0.219 -1.356 165 HD2 TYR 23 HD2 TYR 23 5.131 -3.811 -1.246 166 HE1 TYR 23 HE1 TYR 23 8.939 -0.634 -1.295 167 HE2 TYR 23 HE2 TYR 23 7.444 -4.660 -1.080 168 HH TYR 23 HH TYR 23 10.225 -2.659 -0.720 169 H ASN 24 H ASN 24 5.608 -0.102 -4.209 170 HA ASN 24 HA ASN 24 4.869 -2.621 -5.638 171 HB2 ASN 24 HB2 ASN 24 5.653 0.059 -6.824 172 HB3 ASN 24 HB3 ASN 24 5.541 -1.462 -7.720 173 HD21 ASN 24 HD21 ASN 24 3.773 1.265 -6.767 174 HD22 ASN 24 HD22 ASN 24 2.167 0.604 -7.076 175 H GLN 25 H GLN 25 6.498 -3.772 -4.499 176 HA GLN 25 HA GLN 25 9.169 -2.994 -4.185 177 HB2 GLN 25 HB2 GLN 25 9.727 -5.470 -4.241 178 HB3 GLN 25 HB3 GLN 25 8.655 -4.934 -2.987 179 HG2 GLN 25 HG2 GLN 25 7.631 -6.226 -5.538 180 HG3 GLN 25 HG3 GLN 25 8.107 -7.131 -4.093 181 HE21 GLN 25 HE21 GLN 25 5.368 -5.674 -5.574 182 HE22 GLN 25 HE22 GLN 25 4.435 -5.475 -4.124 183 H TYR 26 H TYR 26 7.564 -4.323 -7.075 184 HA TYR 26 HA TYR 26 9.681 -5.116 -8.634 185 HB2 TYR 26 HB2 TYR 26 7.269 -3.487 -9.528 186 HB3 TYR 26 HB3 TYR 26 8.314 -4.426 -10.580 187 HD1 TYR 26 HD2 TYR 26 8.600 -6.994 -9.900 188 HD2 TYR 26 HD1 TYR 26 5.231 -4.503 -8.849 189 HE1 TYR 26 HE2 TYR 26 7.202 -9.011 -9.629 190 HE2 TYR 26 HE1 TYR 26 3.835 -6.516 -8.588 191 HH TYR 26 HH TYR 26 5.152 -9.819 -8.927 192 H SER 27 H SER 27 8.578 -1.753 -8.095 193 HA SER 27 HA SER 27 10.933 -0.770 -9.606 194 HB2 SER 27 HB2 SER 27 8.534 -0.188 -10.319 195 HB3 SER 27 HB3 SER 27 8.475 0.817 -8.864 196 HG SER 27 HG SER 27 10.061 1.084 -11.204 197 H ASN 28 H ASN 28 10.379 -1.551 -6.551 198 HA ASN 28 HA ASN 28 11.040 -0.886 -4.500 199 HB2 ASN 28 HB2 ASN 28 13.189 -1.314 -5.667 200 HB3 ASN 28 HB3 ASN 28 13.263 0.366 -6.177 201 HD21 ASN 28 HD21 ASN 28 12.932 -1.492 -3.057 202 HD22 ASN 28 HD22 ASN 28 14.203 -0.501 -2.284 203 H THR 29 H THR 29 8.913 0.606 -5.104 204 HA THR 29 HA THR 29 9.389 3.016 -3.669 205 HB THR 29 HB THR 29 10.112 3.764 -5.914 206 HG1 THR 29 HG1 THR 29 8.549 5.585 -5.882 207 HG21 THR 29 HG21 THR 29 8.623 2.473 -7.350 208 HG22 THR 29 HG22 THR 29 8.413 4.210 -7.618 209 HG23 THR 29 HG23 THR 29 7.207 3.315 -6.674 210 H CYS 30 H CYS 30 6.913 4.312 -4.073 211 HA CYS 30 HA CYS 30 4.828 2.265 -3.825 212 HB2 CYS 30 HB2 CYS 30 4.782 4.422 -1.796 213 HB3 CYS 30 HB3 CYS 30 4.328 2.715 -1.759 214 H HIS 31 H HIS 31 2.675 3.241 -4.288 215 HA HIS 31 HA HIS 31 2.678 5.990 -5.316 216 HB2 HIS 31 HB2 HIS 31 3.418 4.170 -7.015 217 HB3 HIS 31 HB3 HIS 31 1.763 3.588 -6.951 218 HD1 HIS 31 HD1 HIS 31 0.548 4.509 -9.054 219 HD2 HIS 31 HD2 HIS 31 3.427 7.085 -7.379 220 HE1 HIS 31 HE1 HIS 31 0.600 6.582 -10.561 221 H SER 32 H SER 32 0.560 6.915 -5.222 222 HA SER 32 HA SER 32 -1.344 5.766 -3.480 223 HB2 SER 32 HB2 SER 32 -1.524 7.796 -5.611 224 HB3 SER 32 HB3 SER 32 -2.832 7.543 -4.435 225 HG SER 32 HG SER 32 -1.493 9.269 -3.882 226 H PHE 33 H PHE 33 -3.293 4.775 -3.833 227 HA PHE 33 HA PHE 33 -4.292 4.141 -6.511 228 HB2 PHE 33 HB2 PHE 33 -4.192 1.839 -6.396 229 HB3 PHE 33 HB3 PHE 33 -2.605 2.323 -5.778 230 HD1 PHE 33 HD2 PHE 33 -2.524 2.692 -3.138 231 HD2 PHE 33 HD1 PHE 33 -5.389 0.197 -5.182 232 HE1 PHE 33 HE2 PHE 33 -2.979 1.506 -1.058 233 HE2 PHE 33 HE1 PHE 33 -5.867 -0.945 -3.032 234 HZ PHE 33 HZ PHE 33 -4.645 -0.243 -0.953 235 H THR 34 H THR 34 -6.422 2.554 -5.918 236 HA THR 34 HA THR 34 -7.963 4.272 -4.016 237 HB THR 34 HB THR 34 -9.982 3.387 -5.082 238 HG1 THR 34 HG1 THR 34 -9.846 1.729 -6.298 239 HG21 THR 34 HG21 THR 34 -9.732 4.620 -7.188 240 HG22 THR 34 HG22 THR 34 -7.970 4.554 -7.061 241 HG23 THR 34 HG23 THR 34 -8.899 5.471 -5.862 242 H TYR 35 H TYR 35 -8.655 3.544 -2.067 243 HA TYR 35 HA TYR 35 -8.515 0.662 -1.621 244 HB2 TYR 35 HB2 TYR 35 -6.678 1.813 -0.636 245 HB3 TYR 35 HB3 TYR 35 -7.795 2.675 0.442 246 HD1 TYR 35 HD1 TYR 35 -6.705 -0.817 -0.612 247 HD2 TYR 35 HD2 TYR 35 -8.286 1.653 2.569 248 HE1 TYR 35 HE1 TYR 35 -6.175 -2.563 1.022 249 HE2 TYR 35 HE2 TYR 35 -7.873 -0.231 4.173 250 HH TYR 35 HH TYR 35 -5.887 -2.973 3.396 251 H SER 36 H SER 36 -9.800 0.225 0.617 252 HA SER 36 HA SER 36 -12.439 1.610 0.502 253 HB2 SER 36 HB2 SER 36 -12.819 -0.361 -0.556 254 HB3 SER 36 HB3 SER 36 -11.625 -1.272 0.372 255 HG SER 36 HG SER 36 -14.075 -1.457 0.644 256 H GLY 37 H GLY 37 -10.137 -0.219 2.651 257 HA2 GLY 37 HA2 GLY 37 -9.576 0.724 4.835 258 HA3 GLY 37 HA3 GLY 37 -11.191 1.398 4.950 259 H CYS 38 H CYS 38 -13.034 -0.214 4.781 260 HA CYS 38 HA CYS 38 -12.649 -2.413 6.610 261 HB2 CYS 38 HB2 CYS 38 -15.022 -2.952 5.872 262 HB3 CYS 38 HB3 CYS 38 -14.757 -1.374 6.607 263 H GLY 39 H GLY 39 -12.381 -2.040 3.127 264 HA2 GLY 39 HA2 GLY 39 -12.091 -4.968 2.699 265 HA3 GLY 39 HA3 GLY 39 -12.569 -3.772 1.472 266 H GLY 40 H GLY 40 -10.263 -5.632 1.529 267 HA2 GLY 40 HA2 GLY 40 -8.284 -5.274 0.292 268 HA3 GLY 40 HA3 GLY 40 -8.095 -3.682 1.030 269 H ASN 41 H ASN 41 -5.922 -5.070 1.115 270 HA ASN 41 HA ASN 41 -5.704 -6.449 3.750 271 HB2 ASN 41 HB2 ASN 41 -4.144 -6.890 1.168 272 HB3 ASN 41 HB3 ASN 41 -3.703 -7.598 2.695 273 HD21 ASN 41 HD21 ASN 41 -4.951 -9.223 3.713 274 HD22 ASN 41 HD22 ASN 41 -6.166 -10.082 2.769 275 H ALA 42 H ALA 42 -3.238 -6.589 4.346 276 HA ALA 42 HA ALA 42 -2.531 -4.235 5.513 277 HB1 ALA 42 HB1 ALA 42 -0.598 -5.300 6.314 278 HB2 ALA 42 HB2 ALA 42 -1.855 -6.544 6.217 279 HB3 ALA 42 HB3 ALA 42 -0.564 -6.453 4.980 280 H ASN 43 H ASN 43 -1.813 -4.831 2.142 281 HA ASN 43 HA ASN 43 0.648 -3.303 2.060 282 HB2 ASN 43 HB2 ASN 43 -0.043 -4.736 0.219 283 HB3 ASN 43 HB3 ASN 43 -1.478 -3.737 -0.062 284 HD21 ASN 43 HD21 ASN 43 -0.576 -3.687 -2.320 285 HD22 ASN 43 HD22 ASN 43 0.685 -2.549 -2.686 286 H ARG 44 H ARG 44 -2.443 -2.411 3.011 287 HA ARG 44 HA ARG 44 -2.589 0.228 1.996 288 HB2 ARG 44 HB2 ARG 44 -4.431 -1.174 3.183 289 HB3 ARG 44 HB3 ARG 44 -3.689 -0.729 4.719 290 HG2 ARG 44 HG2 ARG 44 -3.926 1.682 3.244 291 HG3 ARG 44 HG3 ARG 44 -5.386 0.776 2.927 292 HD2 ARG 44 HD2 ARG 44 -5.846 0.810 5.365 293 HD3 ARG 44 HD3 ARG 44 -4.437 1.918 5.506 294 HE ARG 44 HE ARG 44 -5.692 3.010 3.447 295 HH11 ARG 44 HH11 ARG 44 -7.027 2.046 6.592 296 HH12 ARG 44 HH12 ARG 44 -8.461 2.998 6.473 297 HH21 ARG 44 HH21 ARG 44 -7.315 4.726 3.602 298 HH22 ARG 44 HH22 ARG 44 -8.670 4.512 4.675 299 H PHE 45 H PHE 45 -1.837 2.081 2.646 300 HA PHE 45 HA PHE 45 -0.570 2.544 5.257 301 HB2 PHE 45 HB2 PHE 45 0.705 2.704 2.530 302 HB3 PHE 45 HB3 PHE 45 1.193 3.845 3.780 303 HD1 PHE 45 HD1 PHE 45 2.393 3.188 5.799 304 HD2 PHE 45 HD2 PHE 45 1.426 0.379 2.672 305 HE1 PHE 45 HE1 PHE 45 4.097 1.633 6.668 306 HE2 PHE 45 HE2 PHE 45 3.111 -1.179 3.545 307 HZ PHE 45 HZ PHE 45 4.480 -0.560 5.516 308 H ARG 46 H ARG 46 0.041 4.961 5.199 309 HA ARG 46 HA ARG 46 -2.213 6.545 4.054 310 HB2 ARG 46 HB2 ARG 46 -1.639 8.069 6.106 311 HB3 ARG 46 HB3 ARG 46 -2.669 6.661 6.253 312 HG2 ARG 46 HG2 ARG 46 -1.123 6.873 8.137 313 HG3 ARG 46 HG3 ARG 46 -0.964 5.341 7.303 314 HD2 ARG 46 HD2 ARG 46 1.213 6.166 7.936 315 HD3 ARG 46 HD3 ARG 46 1.121 6.181 6.191 316 HE ARG 46 HE ARG 46 1.010 8.545 6.166 317 HH11 ARG 46 HH11 ARG 46 1.402 7.297 9.535 318 HH12 ARG 46 HH12 ARG 46 1.789 8.883 10.119 319 HH21 ARG 46 HH21 ARG 46 1.484 10.629 7.128 320 HH22 ARG 46 HH22 ARG 46 1.975 10.631 8.800 321 H THR 47 H THR 47 1.258 6.204 3.919 322 HA THR 47 HA THR 47 1.328 8.401 2.105 323 HB THR 47 HB THR 47 1.504 9.624 4.322 324 HG1 THR 47 HG1 THR 47 3.595 10.645 3.521 325 HG21 THR 47 HG21 THR 47 3.420 9.354 5.728 326 HG22 THR 47 HG22 THR 47 4.281 8.414 4.507 327 HG23 THR 47 HG23 THR 47 2.966 7.661 5.342 328 H ILE 48 H ILE 48 3.090 8.305 0.760 329 HA ILE 48 HA ILE 48 4.511 5.873 0.547 330 HB ILE 48 HB ILE 48 4.167 7.123 -1.396 331 HG12 ILE 48 HG12 ILE 48 7.104 7.411 -0.721 332 HG13 ILE 48 HG13 ILE 48 6.352 5.922 -1.181 333 HG21 ILE 48 HG21 ILE 48 3.887 9.420 -0.488 334 HG22 ILE 48 HG22 ILE 48 5.626 9.501 -0.170 335 HG23 ILE 48 HG23 ILE 48 5.014 9.405 -1.828 336 HD11 ILE 48 HD11 ILE 48 6.834 8.392 -2.860 337 HD12 ILE 48 HD12 ILE 48 7.326 6.711 -3.168 338 HD13 ILE 48 HD13 ILE 48 5.626 7.186 -3.327 339 H ASP 49 H ASP 49 5.135 8.767 2.452 340 HA ASP 49 HA ASP 49 7.928 8.442 2.823 341 HB2 ASP 49 HB2 ASP 49 6.204 9.512 5.019 342 HB3 ASP 49 HB3 ASP 49 7.821 10.008 4.540 343 H GLU 50 H GLU 50 5.200 6.856 4.442 344 HA GLU 50 HA GLU 50 6.860 5.635 6.521 345 HB2 GLU 50 HB2 GLU 50 3.926 5.451 5.714 346 HB3 GLU 50 HB3 GLU 50 4.630 4.437 6.963 347 HG2 GLU 50 HG2 GLU 50 4.567 7.485 7.036 348 HG3 GLU 50 HG3 GLU 50 3.464 6.410 7.900 349 H CYS 51 H CYS 51 5.055 4.834 3.550 350 HA CYS 51 HA CYS 51 5.560 2.094 3.658 351 HB2 CYS 51 HB2 CYS 51 3.926 2.660 2.164 352 HB3 CYS 51 HB3 CYS 51 4.898 3.949 1.398 353 H ASN 52 H ASN 52 7.383 4.684 1.972 354 HA ASN 52 HA ASN 52 9.241 2.820 0.913 355 HB2 ASN 52 HB2 ASN 52 10.242 4.516 -0.232 356 HB3 ASN 52 HB3 ASN 52 8.690 5.250 0.046 357 HD21 ASN 52 HD21 ASN 52 8.608 7.040 1.336 358 HD22 ASN 52 HD22 ASN 52 10.010 7.879 1.946 359 H ARG 53 H ARG 53 9.451 5.070 3.731 360 HA ARG 53 HA ARG 53 11.983 4.134 4.419 361 HB2 ARG 53 HB2 ARG 53 11.826 5.224 6.425 362 HB3 ARG 53 HB3 ARG 53 10.718 6.114 5.356 363 HG2 ARG 53 HG2 ARG 53 8.830 4.856 6.411 364 HG3 ARG 53 HG3 ARG 53 9.960 4.177 7.584 365 HD2 ARG 53 HD2 ARG 53 9.512 7.163 7.091 366 HD3 ARG 53 HD3 ARG 53 8.751 6.256 8.391 367 HE ARG 53 HE ARG 53 11.560 7.086 8.131 368 HH11 ARG 53 HH11 ARG 53 9.280 5.010 9.940 369 HH12 ARG 53 HH12 ARG 53 10.313 4.874 11.326 370 HH21 ARG 53 HH21 ARG 53 12.960 6.775 9.976 371 HH22 ARG 53 HH22 ARG 53 12.356 5.899 11.371 372 H THR 54 H THR 54 8.968 2.388 4.909 373 HA THR 54 HA THR 54 10.393 0.466 6.631 374 HB THR 54 HB THR 54 8.169 1.502 7.197 375 HG1 THR 54 HG1 THR 54 7.511 -0.550 8.095 376 HG21 THR 54 HG21 THR 54 6.192 0.735 6.331 377 HG22 THR 54 HG22 THR 54 6.901 -0.754 5.640 378 HG23 THR 54 HG23 THR 54 7.142 0.823 4.858 379 H CYS 55 H CYS 55 9.293 0.636 3.249 380 HA CYS 55 HA CYS 55 10.074 -2.229 2.967 381 HB2 CYS 55 HB2 CYS 55 7.994 -0.850 1.279 382 HB3 CYS 55 HB3 CYS 55 8.315 -2.580 1.438 383 H VAL 56 H VAL 56 10.662 0.979 1.758 384 HA VAL 56 HA VAL 56 11.754 -0.080 -0.812 385 HB VAL 56 HB VAL 56 11.337 2.694 0.230 386 HG11 VAL 56 HG11 VAL 56 13.315 2.950 -1.014 387 HG12 VAL 56 HG12 VAL 56 12.684 1.955 -2.346 388 HG13 VAL 56 HG13 VAL 56 11.973 3.546 -1.982 389 HG21 VAL 56 HG21 VAL 56 10.186 1.208 -2.172 390 HG22 VAL 56 HG22 VAL 56 9.328 1.416 -0.638 391 HG23 VAL 56 HG23 VAL 56 9.712 2.826 -1.612 392 H GLY 57 H GLY 57 13.266 -1.381 0.039 393 HA2 GLY 57 HA2 GLY 57 15.321 -0.482 1.891 394 HA3 GLY 57 HA3 GLY 57 15.304 -2.007 0.969 Start of MODEL 10 1 H1 ARG 1 H ARG 1 12.426 -5.787 3.747 2 HA ARG 1 HA ARG 1 10.602 -4.350 2.945 3 HB2 ARG 1 HB2 ARG 1 9.568 -4.863 0.809 4 HB3 ARG 1 HB3 ARG 1 11.233 -4.330 0.699 5 HG2 ARG 1 HG2 ARG 1 11.421 -7.170 0.590 6 HG3 ARG 1 HG3 ARG 1 10.004 -6.725 -0.363 7 HD2 ARG 1 HD2 ARG 1 11.650 -6.484 -1.989 8 HD3 ARG 1 HD3 ARG 1 11.552 -4.888 -1.408 9 HE ARG 1 HE ARG 1 13.596 -5.153 -0.167 10 HH11 ARG 1 HH11 ARG 1 12.910 -7.842 -2.387 11 HH12 ARG 1 HH12 ARG 1 14.610 -8.142 -2.707 12 HH21 ARG 1 HH21 ARG 1 15.821 -5.666 -0.524 13 HH22 ARG 1 HH22 ARG 1 16.232 -7.033 -1.512 14 HA PRO 2 HA PRO 2 8.927 -7.791 5.376 15 HB2 PRO 2 HB2 PRO 2 6.757 -6.481 6.430 16 HB3 PRO 2 HB3 PRO 2 8.408 -6.181 7.018 17 HG2 PRO 2 HG2 PRO 2 6.920 -4.619 4.974 18 HG3 PRO 2 HG3 PRO 2 7.780 -3.992 6.430 19 HD2 PRO 2 HD2 PRO 2 9.095 -3.939 4.088 20 HD3 PRO 2 HD3 PRO 2 9.919 -4.581 5.529 21 H ARG 3 H ARG 3 7.295 -9.317 5.087 22 HA ARG 3 HA ARG 3 6.096 -9.510 2.567 23 HB2 ARG 3 HB2 ARG 3 4.976 -11.474 3.269 24 HB3 ARG 3 HB3 ARG 3 6.586 -11.445 3.949 25 HG2 ARG 3 HG2 ARG 3 5.153 -12.415 5.512 26 HG3 ARG 3 HG3 ARG 3 5.615 -10.846 6.174 27 HD2 ARG 3 HD2 ARG 3 3.393 -9.988 5.802 28 HD3 ARG 3 HD3 ARG 3 2.948 -11.370 4.805 29 HE ARG 3 HE ARG 3 3.006 -11.145 7.722 30 HH11 ARG 3 HH11 ARG 3 2.822 -13.504 5.009 31 HH12 ARG 3 HH12 ARG 3 2.382 -14.790 6.099 32 HH21 ARG 3 HH21 ARG 3 2.091 -12.888 9.001 33 HH22 ARG 3 HH22 ARG 3 1.916 -14.439 8.263 34 H PHE 4 H PHE 4 4.799 -7.755 5.280 35 HA PHE 4 HA PHE 4 2.063 -8.065 4.378 36 HB2 PHE 4 HB2 PHE 4 1.464 -6.661 6.078 37 HB3 PHE 4 HB3 PHE 4 2.867 -7.474 6.724 38 HD1 PHE 4 HD2 PHE 4 1.612 -4.330 5.201 39 HD2 PHE 4 HD1 PHE 4 4.825 -6.204 7.344 40 HE1 PHE 4 HE2 PHE 4 2.395 -2.119 5.935 41 HE2 PHE 4 HE1 PHE 4 5.802 -3.966 7.826 42 HZ PHE 4 HZ PHE 4 4.580 -1.916 7.170 43 H CYS 5 H CYS 5 4.722 -5.917 3.403 44 HA CYS 5 HA CYS 5 2.987 -3.941 2.223 45 HB2 CYS 5 HB2 CYS 5 5.951 -4.585 2.138 46 HB3 CYS 5 HB3 CYS 5 5.239 -3.356 1.095 47 H GLU 6 H GLU 6 4.036 -7.071 1.189 48 HA GLU 6 HA GLU 6 3.619 -6.293 -1.676 49 HB2 GLU 6 HB2 GLU 6 4.863 -8.141 -2.335 50 HB3 GLU 6 HB3 GLU 6 5.677 -7.440 -0.943 51 HG2 GLU 6 HG2 GLU 6 4.066 -9.282 0.315 52 HG3 GLU 6 HG3 GLU 6 4.250 -10.065 -1.245 53 H LEU 7 H LEU 7 1.485 -6.950 0.516 54 HA LEU 7 HA LEU 7 0.084 -9.236 -0.675 55 HB2 LEU 7 HB2 LEU 7 -0.981 -7.186 1.274 56 HB3 LEU 7 HB3 LEU 7 -1.681 -8.766 0.906 57 HG LEU 7 HG LEU 7 0.933 -8.225 2.350 58 HD11 LEU 7 HD11 LEU 7 -1.161 -7.812 3.623 59 HD12 LEU 7 HD12 LEU 7 -0.207 -9.141 4.286 60 HD13 LEU 7 HD13 LEU 7 -1.654 -9.492 3.326 61 HD21 LEU 7 HD21 LEU 7 -0.298 -10.939 1.815 62 HD22 LEU 7 HD22 LEU 7 1.129 -10.592 2.829 63 HD23 LEU 7 HD23 LEU 7 1.214 -10.309 1.093 64 H ALA 8 H ALA 8 -2.289 -8.894 -1.388 65 HA ALA 8 HA ALA 8 -2.315 -6.742 -3.436 66 HB1 ALA 8 HB1 ALA 8 -4.068 -9.197 -3.150 67 HB2 ALA 8 HB2 ALA 8 -4.073 -8.011 -4.481 68 HB3 ALA 8 HB3 ALA 8 -2.652 -9.029 -4.223 69 HA PRO 9 HA PRO 9 -5.068 -4.928 -0.299 70 HB2 PRO 9 HB2 PRO 9 -5.227 -2.399 -1.230 71 HB3 PRO 9 HB3 PRO 9 -3.760 -3.041 -0.425 72 HG2 PRO 9 HG2 PRO 9 -4.295 -2.764 -3.407 73 HG3 PRO 9 HG3 PRO 9 -2.818 -2.314 -2.487 74 HD2 PRO 9 HD2 PRO 9 -3.116 -4.697 -3.851 75 HD3 PRO 9 HD3 PRO 9 -2.102 -4.520 -2.392 76 H SER 10 H SER 10 -6.931 -6.190 -0.778 77 HA SER 10 HA SER 10 -8.586 -6.013 -3.014 78 HB2 SER 10 HB2 SER 10 -9.570 -6.804 -0.260 79 HB3 SER 10 HB3 SER 10 -9.928 -7.514 -1.838 80 HG SER 10 HG SER 10 -7.725 -8.265 -1.852 81 H ALA 11 H ALA 11 -8.615 -3.559 -3.128 82 HA ALA 11 HA ALA 11 -10.128 -1.942 -1.335 83 HB1 ALA 11 HB1 ALA 11 -10.003 -0.308 -3.189 84 HB2 ALA 11 HB2 ALA 11 -8.436 -1.117 -2.952 85 HB3 ALA 11 HB3 ALA 11 -9.493 -1.590 -4.298 86 H GLY 12 H GLY 12 -11.338 -4.399 -3.197 87 HA2 GLY 12 HA2 GLY 12 -13.840 -2.995 -4.006 88 HA3 GLY 12 HA3 GLY 12 -13.291 -4.557 -4.589 89 H SER 13 H SER 13 -12.751 -5.246 -1.547 90 HA SER 13 HA SER 13 -14.937 -6.836 -1.120 91 HB2 SER 13 HB2 SER 13 -13.104 -5.561 0.914 92 HB3 SER 13 HB3 SER 13 -13.967 -7.110 1.095 93 HG SER 13 HG SER 13 -12.383 -8.023 0.072 94 H CYS 14 H CYS 14 -14.337 -3.907 0.956 95 HA CYS 14 HA CYS 14 -17.259 -3.795 1.500 96 HB2 CYS 14 HB2 CYS 14 -14.858 -2.360 2.699 97 HB3 CYS 14 HB3 CYS 14 -16.544 -2.109 3.180 98 H PHE 15 H PHE 15 -18.482 -1.906 0.819 99 HA PHE 15 HA PHE 15 -17.162 -0.562 -1.453 100 HB2 PHE 15 HB2 PHE 15 -19.524 -1.444 -1.519 101 HB3 PHE 15 HB3 PHE 15 -19.990 -0.139 -0.453 102 HD1 PHE 15 HD1 PHE 15 -19.071 2.348 -1.334 103 HD2 PHE 15 HD2 PHE 15 -19.766 -1.130 -3.799 104 HE1 PHE 15 HE1 PHE 15 -19.171 3.777 -3.326 105 HE2 PHE 15 HE2 PHE 15 -19.898 0.328 -5.793 106 HZ PHE 15 HZ PHE 15 -19.630 2.785 -5.561 107 H ALA 16 H ALA 16 -15.812 0.997 -0.916 108 HA ALA 16 HA ALA 16 -16.828 3.327 0.468 109 HB1 ALA 16 HB1 ALA 16 -15.997 2.216 2.394 110 HB2 ALA 16 HB2 ALA 16 -14.513 1.729 1.569 111 HB3 ALA 16 HB3 ALA 16 -14.779 3.437 1.972 112 H PHE 17 H PHE 17 -15.140 5.099 0.330 113 HA PHE 17 HA PHE 17 -13.355 4.788 -2.034 114 HB2 PHE 17 HB2 PHE 17 -15.685 5.782 -2.480 115 HB3 PHE 17 HB3 PHE 17 -15.163 7.192 -1.597 116 HD1 PHE 17 HD2 PHE 17 -12.195 6.291 -3.238 117 HD2 PHE 17 HD1 PHE 17 -16.176 7.731 -4.104 118 HE1 PHE 17 HE2 PHE 17 -11.401 7.159 -5.357 119 HE2 PHE 17 HE1 PHE 17 -15.340 8.684 -6.215 120 HZ PHE 17 HZ PHE 17 -12.955 8.457 -6.853 121 H VAL 18 H VAL 18 -11.432 4.831 -0.828 122 HA VAL 18 HA VAL 18 -10.832 7.306 0.624 123 HB VAL 18 HB VAL 18 -9.648 5.897 2.408 124 HG11 VAL 18 HG11 VAL 18 -12.698 5.975 2.463 125 HG12 VAL 18 HG12 VAL 18 -11.588 5.956 3.853 126 HG13 VAL 18 HG13 VAL 18 -11.640 7.358 2.780 127 HG21 VAL 18 HG21 VAL 18 -11.763 3.847 1.595 128 HG22 VAL 18 HG22 VAL 18 -10.006 3.637 1.442 129 HG23 VAL 18 HG23 VAL 18 -10.744 3.779 3.039 130 HA PRO 19 HA PRO 19 -7.503 6.274 -2.262 131 HB2 PRO 19 HB2 PRO 19 -6.152 8.669 -2.258 132 HB3 PRO 19 HB3 PRO 19 -7.635 8.359 -3.204 133 HG2 PRO 19 HG2 PRO 19 -7.360 9.774 -0.553 134 HG3 PRO 19 HG3 PRO 19 -8.370 10.216 -1.955 135 HD2 PRO 19 HD2 PRO 19 -9.344 8.884 0.263 136 HD3 PRO 19 HD3 PRO 19 -10.036 8.655 -1.362 137 H SER 20 H SER 20 -5.846 5.029 -1.572 138 HA SER 20 HA SER 20 -4.251 5.952 0.752 139 HB2 SER 20 HB2 SER 20 -5.057 3.068 0.385 140 HB3 SER 20 HB3 SER 20 -4.275 3.832 1.767 141 HG SER 20 HG SER 20 -6.859 4.496 0.826 142 H TYR 21 H TYR 21 -2.144 4.116 0.773 143 HA TYR 21 HA TYR 21 -0.912 4.504 -1.937 144 HB2 TYR 21 HB2 TYR 21 0.153 4.745 0.829 145 HB3 TYR 21 HB3 TYR 21 1.241 4.151 -0.404 146 HD1 TYR 21 HD1 TYR 21 -0.704 7.019 0.755 147 HD2 TYR 21 HD2 TYR 21 2.044 5.624 -2.298 148 HE1 TYR 21 HE1 TYR 21 -0.251 9.335 0.095 149 HE2 TYR 21 HE2 TYR 21 2.388 7.937 -3.026 150 HH TYR 21 HH TYR 21 0.918 10.753 -1.388 151 H TYR 22 H TYR 22 0.104 2.967 -3.006 152 HA TYR 22 HA TYR 22 0.002 0.155 -2.081 153 HB2 TYR 22 HB2 TYR 22 -1.277 1.052 -4.192 154 HB3 TYR 22 HB3 TYR 22 0.272 1.285 -4.907 155 HD1 TYR 22 HD1 TYR 22 1.861 -0.842 -4.991 156 HD2 TYR 22 HD2 TYR 22 -2.420 -0.868 -4.611 157 HE1 TYR 22 HE1 TYR 22 1.868 -3.108 -5.871 158 HE2 TYR 22 HE2 TYR 22 -2.462 -3.199 -5.557 159 HH TYR 22 HH TYR 22 0.504 -4.772 -6.788 160 H TYR 23 H TYR 23 1.942 -0.769 -1.704 161 HA TYR 23 HA TYR 23 4.476 0.582 -2.474 162 HB2 TYR 23 HB2 TYR 23 4.389 -0.377 -0.278 163 HB3 TYR 23 HB3 TYR 23 3.797 -1.914 -0.904 164 HD1 TYR 23 HD1 TYR 23 6.827 0.314 -1.092 165 HD2 TYR 23 HD2 TYR 23 5.191 -3.665 -1.353 166 HE1 TYR 23 HE1 TYR 23 9.118 -0.645 -1.210 167 HE2 TYR 23 HE2 TYR 23 7.472 -4.621 -1.249 168 HH TYR 23 HH TYR 23 10.318 -2.756 -0.785 169 H ASN 24 H ASN 24 5.678 0.002 -4.256 170 HA ASN 24 HA ASN 24 4.899 -2.478 -5.726 171 HB2 ASN 24 HB2 ASN 24 5.776 0.169 -6.939 172 HB3 ASN 24 HB3 ASN 24 5.623 -1.359 -7.799 173 HD21 ASN 24 HD21 ASN 24 3.770 1.286 -6.260 174 HD22 ASN 24 HD22 ASN 24 2.258 0.807 -7.013 175 H GLN 25 H GLN 25 6.462 -3.777 -4.853 176 HA GLN 25 HA GLN 25 9.140 -2.932 -4.330 177 HB2 GLN 25 HB2 GLN 25 9.751 -5.163 -3.935 178 HB3 GLN 25 HB3 GLN 25 8.182 -4.928 -3.232 179 HG2 GLN 25 HG2 GLN 25 8.731 -6.378 -5.830 180 HG3 GLN 25 HG3 GLN 25 8.509 -7.135 -4.265 181 HE21 GLN 25 HE21 GLN 25 6.126 -5.055 -3.656 182 HE22 GLN 25 HE22 GLN 25 4.876 -5.713 -4.659 183 H TYR 26 H TYR 26 7.584 -4.300 -7.231 184 HA TYR 26 HA TYR 26 9.910 -4.896 -8.678 185 HB2 TYR 26 HB2 TYR 26 7.188 -3.947 -9.632 186 HB3 TYR 26 HB3 TYR 26 8.424 -4.603 -10.681 187 HD1 TYR 26 HD2 TYR 26 9.479 -6.984 -9.562 188 HD2 TYR 26 HD1 TYR 26 5.466 -5.469 -9.175 189 HE1 TYR 26 HE2 TYR 26 8.645 -9.291 -9.384 190 HE2 TYR 26 HE1 TYR 26 4.600 -7.789 -9.009 191 HH TYR 26 HH TYR 26 5.345 -10.120 -9.780 192 H SER 27 H SER 27 8.648 -1.770 -7.837 193 HA SER 27 HA SER 27 10.548 -0.445 -9.724 194 HB2 SER 27 HB2 SER 27 8.097 -0.186 -10.194 195 HB3 SER 27 HB3 SER 27 7.921 0.625 -8.635 196 HG SER 27 HG SER 27 8.185 1.992 -10.493 197 H ASN 28 H ASN 28 10.321 -1.452 -6.632 198 HA ASN 28 HA ASN 28 10.839 -0.837 -4.604 199 HB2 ASN 28 HB2 ASN 28 13.010 -1.205 -5.985 200 HB3 ASN 28 HB3 ASN 28 13.255 0.528 -5.783 201 HD21 ASN 28 HD21 ASN 28 14.506 0.907 -3.919 202 HD22 ASN 28 HD22 ASN 28 14.669 -0.199 -2.565 203 H THR 29 H THR 29 8.870 0.715 -5.212 204 HA THR 29 HA THR 29 9.395 3.098 -3.709 205 HB THR 29 HB THR 29 10.083 3.724 -6.035 206 HG1 THR 29 HG1 THR 29 9.269 5.158 -4.416 207 HG21 THR 29 HG21 THR 29 8.395 2.484 -7.358 208 HG22 THR 29 HG22 THR 29 8.401 4.210 -7.723 209 HG23 THR 29 HG23 THR 29 7.113 3.536 -6.715 210 H CYS 30 H CYS 30 6.950 4.417 -4.320 211 HA CYS 30 HA CYS 30 4.844 2.432 -3.710 212 HB2 CYS 30 HB2 CYS 30 5.999 3.868 -1.698 213 HB3 CYS 30 HB3 CYS 30 4.866 5.073 -2.307 214 H HIS 31 H HIS 31 2.680 3.424 -4.204 215 HA HIS 31 HA HIS 31 2.727 5.965 -5.646 216 HB2 HIS 31 HB2 HIS 31 3.310 3.938 -7.230 217 HB3 HIS 31 HB3 HIS 31 1.614 3.490 -6.992 218 HD1 HIS 31 HD1 HIS 31 0.482 4.253 -9.274 219 HD2 HIS 31 HD2 HIS 31 3.241 6.956 -7.595 220 HE1 HIS 31 HE1 HIS 31 0.533 6.244 -10.845 221 H SER 32 H SER 32 0.657 6.979 -5.451 222 HA SER 32 HA SER 32 -1.065 5.782 -3.490 223 HB2 SER 32 HB2 SER 32 -2.543 7.727 -4.143 224 HB3 SER 32 HB3 SER 32 -0.992 8.062 -3.369 225 HG SER 32 HG SER 32 -0.554 9.270 -4.986 226 H PHE 33 H PHE 33 -3.033 4.775 -3.724 227 HA PHE 33 HA PHE 33 -4.136 4.228 -6.378 228 HB2 PHE 33 HB2 PHE 33 -4.191 1.940 -6.170 229 HB3 PHE 33 HB3 PHE 33 -2.571 2.325 -5.625 230 HD1 PHE 33 HD2 PHE 33 -2.411 2.651 -2.946 231 HD2 PHE 33 HD1 PHE 33 -5.470 0.387 -4.958 232 HE1 PHE 33 HE2 PHE 33 -2.955 1.442 -0.820 233 HE2 PHE 33 HE1 PHE 33 -5.976 -0.793 -2.879 234 HZ PHE 33 HZ PHE 33 -4.684 -0.218 -0.758 235 H THR 34 H THR 34 -6.344 2.793 -5.676 236 HA THR 34 HA THR 34 -7.818 4.604 -3.807 237 HB THR 34 HB THR 34 -9.744 3.408 -5.189 238 HG1 THR 34 HG1 THR 34 -8.691 2.091 -6.542 239 HG21 THR 34 HG21 THR 34 -9.274 5.839 -5.214 240 HG22 THR 34 HG22 THR 34 -9.713 5.235 -6.819 241 HG23 THR 34 HG23 THR 34 -8.016 5.583 -6.444 242 H TYR 35 H TYR 35 -8.617 3.740 -1.893 243 HA TYR 35 HA TYR 35 -8.644 0.797 -1.662 244 HB2 TYR 35 HB2 TYR 35 -6.819 1.964 -0.416 245 HB3 TYR 35 HB3 TYR 35 -8.059 2.693 0.589 246 HD1 TYR 35 HD1 TYR 35 -6.988 -0.678 -0.729 247 HD2 TYR 35 HD2 TYR 35 -8.374 1.614 2.652 248 HE1 TYR 35 HE1 TYR 35 -6.321 -2.523 0.811 249 HE2 TYR 35 HE2 TYR 35 -7.845 -0.252 4.152 250 HH TYR 35 HH TYR 35 -7.044 -2.688 4.178 251 H SER 36 H SER 36 -10.008 0.199 0.537 252 HA SER 36 HA SER 36 -12.389 1.875 0.867 253 HB2 SER 36 HB2 SER 36 -13.772 -0.199 0.768 254 HB3 SER 36 HB3 SER 36 -13.090 0.291 -0.790 255 HG SER 36 HG SER 36 -12.743 -1.790 -0.665 256 H GLY 37 H GLY 37 -13.433 1.386 3.006 257 HA2 GLY 37 HA2 GLY 37 -11.787 1.332 5.133 258 HA3 GLY 37 HA3 GLY 37 -13.469 0.841 5.197 259 H CYS 38 H CYS 38 -13.630 -1.692 4.146 260 HA CYS 38 HA CYS 38 -11.536 -3.229 5.615 261 HB2 CYS 38 HB2 CYS 38 -13.403 -4.800 6.191 262 HB3 CYS 38 HB3 CYS 38 -13.316 -3.267 7.032 263 H GLY 39 H GLY 39 -11.441 -5.473 5.158 264 HA2 GLY 39 HA2 GLY 39 -11.560 -7.379 3.840 265 HA3 GLY 39 HA3 GLY 39 -12.140 -6.440 2.474 266 H GLY 40 H GLY 40 -10.277 -4.395 2.273 267 HA2 GLY 40 HA2 GLY 40 -8.206 -5.372 0.818 268 HA3 GLY 40 HA3 GLY 40 -8.188 -3.817 1.658 269 H ASN 41 H ASN 41 -6.002 -5.690 1.078 270 HA ASN 41 HA ASN 41 -5.234 -6.760 3.691 271 HB2 ASN 41 HB2 ASN 41 -3.977 -7.011 0.946 272 HB3 ASN 41 HB3 ASN 41 -3.266 -7.668 2.401 273 HD21 ASN 41 HD21 ASN 41 -5.382 -8.556 -0.124 274 HD22 ASN 41 HD22 ASN 41 -6.184 -9.839 0.704 275 H ALA 42 H ALA 42 -3.005 -6.563 4.389 276 HA ALA 42 HA ALA 42 -2.458 -4.048 5.210 277 HB1 ALA 42 HB1 ALA 42 -0.414 -6.255 5.012 278 HB2 ALA 42 HB2 ALA 42 -0.463 -4.925 6.182 279 HB3 ALA 42 HB3 ALA 42 -1.715 -6.184 6.227 280 H ASN 43 H ASN 43 -1.630 -4.891 1.951 281 HA ASN 43 HA ASN 43 0.823 -3.389 1.761 282 HB2 ASN 43 HB2 ASN 43 0.132 -4.882 -0.004 283 HB3 ASN 43 HB3 ASN 43 -1.337 -3.941 -0.314 284 HD21 ASN 43 HD21 ASN 43 -0.570 -3.742 -2.690 285 HD22 ASN 43 HD22 ASN 43 0.774 -2.679 -2.975 286 H ARG 44 H ARG 44 -2.453 -2.350 2.320 287 HA ARG 44 HA ARG 44 -2.205 0.248 1.127 288 HB2 ARG 44 HB2 ARG 44 -4.358 -0.561 1.550 289 HB3 ARG 44 HB3 ARG 44 -4.007 -1.026 3.206 290 HG2 ARG 44 HG2 ARG 44 -3.852 1.903 2.518 291 HG3 ARG 44 HG3 ARG 44 -5.431 1.183 2.518 292 HD2 ARG 44 HD2 ARG 44 -3.535 1.255 4.900 293 HD3 ARG 44 HD3 ARG 44 -4.983 2.228 4.656 294 HE ARG 44 HE ARG 44 -5.382 -0.665 4.568 295 HH11 ARG 44 HH11 ARG 44 -5.124 2.071 6.844 296 HH12 ARG 44 HH12 ARG 44 -6.307 1.428 7.928 297 HH21 ARG 44 HH21 ARG 44 -6.927 -1.548 6.210 298 HH22 ARG 44 HH22 ARG 44 -7.226 -0.593 7.608 299 H PHE 45 H PHE 45 -1.404 2.037 1.786 300 HA PHE 45 HA PHE 45 -0.504 2.513 4.566 301 HB2 PHE 45 HB2 PHE 45 1.095 2.584 2.046 302 HB3 PHE 45 HB3 PHE 45 1.281 4.009 3.064 303 HD1 PHE 45 HD1 PHE 45 2.047 3.820 5.454 304 HD2 PHE 45 HD2 PHE 45 1.818 0.430 2.810 305 HE1 PHE 45 HE1 PHE 45 3.275 2.441 7.114 306 HE2 PHE 45 HE2 PHE 45 3.129 -0.902 4.388 307 HZ PHE 45 HZ PHE 45 3.787 0.076 6.614 308 H ARG 46 H ARG 46 -0.022 4.939 4.797 309 HA ARG 46 HA ARG 46 -2.305 6.476 3.648 310 HB2 ARG 46 HB2 ARG 46 -1.974 7.833 5.834 311 HB3 ARG 46 HB3 ARG 46 -2.824 6.309 5.856 312 HG2 ARG 46 HG2 ARG 46 -1.324 6.592 7.779 313 HG3 ARG 46 HG3 ARG 46 -0.986 5.145 6.867 314 HD2 ARG 46 HD2 ARG 46 1.072 6.229 7.638 315 HD3 ARG 46 HD3 ARG 46 1.012 6.236 5.877 316 HE ARG 46 HE ARG 46 0.733 8.561 5.861 317 HH11 ARG 46 HH11 ARG 46 1.071 7.394 9.251 318 HH12 ARG 46 HH12 ARG 46 1.197 9.011 9.821 319 HH21 ARG 46 HH21 ARG 46 0.604 10.625 6.758 320 HH22 ARG 46 HH22 ARG 46 0.935 10.860 8.424 321 H THR 47 H THR 47 1.118 6.294 3.554 322 HA THR 47 HA THR 47 1.236 8.650 2.008 323 HB THR 47 HB THR 47 1.303 9.642 4.337 324 HG1 THR 47 HG1 THR 47 2.200 10.786 2.643 325 HG21 THR 47 HG21 THR 47 3.273 9.404 5.700 326 HG22 THR 47 HG22 THR 47 4.091 8.458 4.449 327 HG23 THR 47 HG23 THR 47 2.752 7.748 5.309 328 H ILE 48 H ILE 48 3.187 8.708 0.789 329 HA ILE 48 HA ILE 48 4.399 6.128 0.463 330 HB ILE 48 HB ILE 48 4.188 7.385 -1.484 331 HG12 ILE 48 HG12 ILE 48 7.133 7.646 -0.788 332 HG13 ILE 48 HG13 ILE 48 6.355 6.120 -1.123 333 HG21 ILE 48 HG21 ILE 48 3.976 9.680 -0.575 334 HG22 ILE 48 HG22 ILE 48 5.715 9.677 -0.166 335 HG23 ILE 48 HG23 ILE 48 5.170 9.640 -1.850 336 HD11 ILE 48 HD11 ILE 48 6.726 8.440 -3.041 337 HD12 ILE 48 HD12 ILE 48 7.409 6.810 -3.132 338 HD13 ILE 48 HD13 ILE 48 5.668 7.047 -3.383 339 H ASP 49 H ASP 49 5.063 8.968 2.389 340 HA ASP 49 HA ASP 49 7.834 8.693 2.792 341 HB2 ASP 49 HB2 ASP 49 5.833 9.806 4.768 342 HB3 ASP 49 HB3 ASP 49 7.566 10.089 4.733 343 H GLU 50 H GLU 50 5.098 7.009 4.315 344 HA GLU 50 HA GLU 50 6.748 5.711 6.348 345 HB2 GLU 50 HB2 GLU 50 3.839 5.887 5.623 346 HB3 GLU 50 HB3 GLU 50 4.376 4.388 6.327 347 HG2 GLU 50 HG2 GLU 50 3.520 5.843 8.023 348 HG3 GLU 50 HG3 GLU 50 5.220 5.411 8.275 349 H CYS 51 H CYS 51 4.868 4.968 3.476 350 HA CYS 51 HA CYS 51 5.273 2.236 3.260 351 HB2 CYS 51 HB2 CYS 51 3.717 3.459 1.866 352 HB3 CYS 51 HB3 CYS 51 5.049 4.387 1.153 353 H ASN 52 H ASN 52 7.334 4.853 1.883 354 HA ASN 52 HA ASN 52 9.194 2.996 0.844 355 HB2 ASN 52 HB2 ASN 52 10.272 4.711 -0.163 356 HB3 ASN 52 HB3 ASN 52 8.674 5.444 0.039 357 HD21 ASN 52 HD21 ASN 52 8.500 7.250 1.317 358 HD22 ASN 52 HD22 ASN 52 9.878 8.104 1.982 359 H ARG 53 H ARG 53 9.434 5.256 3.669 360 HA ARG 53 HA ARG 53 11.860 4.185 4.446 361 HB2 ARG 53 HB2 ARG 53 11.726 5.371 6.406 362 HB3 ARG 53 HB3 ARG 53 10.580 6.232 5.350 363 HG2 ARG 53 HG2 ARG 53 8.728 4.965 6.485 364 HG3 ARG 53 HG3 ARG 53 9.919 4.314 7.633 365 HD2 ARG 53 HD2 ARG 53 10.507 6.569 8.370 366 HD3 ARG 53 HD3 ARG 53 9.524 7.275 7.094 367 HE ARG 53 HE ARG 53 7.600 6.939 8.229 368 HH11 ARG 53 HH11 ARG 53 10.226 5.427 10.100 369 HH12 ARG 53 HH12 ARG 53 9.348 5.431 11.589 370 HH21 ARG 53 HH21 ARG 53 6.451 6.988 10.199 371 HH22 ARG 53 HH22 ARG 53 7.158 6.379 11.639 372 H THR 54 H THR 54 8.827 2.552 4.814 373 HA THR 54 HA THR 54 9.979 0.683 6.765 374 HB THR 54 HB THR 54 7.704 1.950 6.834 375 HG1 THR 54 HG1 THR 54 8.410 0.681 8.428 376 HG21 THR 54 HG21 THR 54 5.830 0.974 6.008 377 HG22 THR 54 HG22 THR 54 6.605 -0.636 5.758 378 HG23 THR 54 HG23 THR 54 6.908 0.744 4.658 379 H CYS 55 H CYS 55 9.033 0.673 3.294 380 HA CYS 55 HA CYS 55 9.869 -2.163 3.191 381 HB2 CYS 55 HB2 CYS 55 7.509 -0.803 1.849 382 HB3 CYS 55 HB3 CYS 55 8.059 -2.455 1.500 383 H VAL 56 H VAL 56 10.488 0.949 1.834 384 HA VAL 56 HA VAL 56 11.542 -0.242 -0.679 385 HB VAL 56 HB VAL 56 11.338 2.596 0.329 386 HG11 VAL 56 HG11 VAL 56 13.400 2.568 -0.856 387 HG12 VAL 56 HG12 VAL 56 12.611 1.772 -2.245 388 HG13 VAL 56 HG13 VAL 56 12.135 3.416 -1.744 389 HG21 VAL 56 HG21 VAL 56 9.261 1.486 -0.619 390 HG22 VAL 56 HG22 VAL 56 9.811 2.868 -1.564 391 HG23 VAL 56 HG23 VAL 56 10.159 1.220 -2.122 392 H GLY 57 H GLY 57 13.210 -1.550 -0.162 393 HA2 GLY 57 HA2 GLY 57 15.173 -0.846 1.882 394 HA3 GLY 57 HA3 GLY 57 15.167 -2.262 0.796 Start of MODEL 11 1 H1 ARG 1 H ARG 1 12.807 -5.322 2.881 2 HA ARG 1 HA ARG 1 10.561 -4.541 3.116 3 HB2 ARG 1 HB2 ARG 1 10.272 -6.354 0.724 4 HB3 ARG 1 HB3 ARG 1 9.792 -4.669 0.996 5 HG2 ARG 1 HG2 ARG 1 11.554 -4.412 -0.484 6 HG3 ARG 1 HG3 ARG 1 12.352 -4.164 1.048 7 HD2 ARG 1 HD2 ARG 1 12.814 -6.817 0.760 8 HD3 ARG 1 HD3 ARG 1 12.440 -6.444 -0.912 9 HE ARG 1 HE ARG 1 14.787 -5.606 0.671 10 HH11 ARG 1 HH11 ARG 1 13.085 -5.237 -2.430 11 HH12 ARG 1 HH12 ARG 1 14.240 -4.129 -3.087 12 HH21 ARG 1 HH21 ARG 1 16.342 -4.201 -0.206 13 HH22 ARG 1 HH22 ARG 1 16.119 -3.486 -1.772 14 HA PRO 2 HA PRO 2 8.521 -7.819 5.391 15 HB2 PRO 2 HB2 PRO 2 6.394 -6.425 6.369 16 HB3 PRO 2 HB3 PRO 2 8.055 -6.226 6.980 17 HG2 PRO 2 HG2 PRO 2 6.620 -4.554 4.896 18 HG3 PRO 2 HG3 PRO 2 7.524 -3.963 6.339 19 HD2 PRO 2 HD2 PRO 2 8.706 -4.019 3.904 20 HD3 PRO 2 HD3 PRO 2 9.614 -4.477 5.367 21 H ARG 3 H ARG 3 6.832 -9.260 5.150 22 HA ARG 3 HA ARG 3 5.632 -9.546 2.676 23 HB2 ARG 3 HB2 ARG 3 4.416 -11.352 3.563 24 HB3 ARG 3 HB3 ARG 3 5.932 -11.342 4.430 25 HG2 ARG 3 HG2 ARG 3 3.212 -10.417 5.472 26 HG3 ARG 3 HG3 ARG 3 4.068 -11.874 5.921 27 HD2 ARG 3 HD2 ARG 3 4.896 -9.049 6.614 28 HD3 ARG 3 HD3 ARG 3 4.276 -10.293 7.713 29 HE ARG 3 HE ARG 3 6.368 -11.611 6.766 30 HH11 ARG 3 HH11 ARG 3 6.217 -8.458 8.387 31 HH12 ARG 3 HH12 ARG 3 7.938 -8.398 8.626 32 HH21 ARG 3 HH21 ARG 3 8.536 -11.459 6.945 33 HH22 ARG 3 HH22 ARG 3 9.295 -10.235 7.914 34 H PHE 4 H PHE 4 4.324 -7.659 5.390 35 HA PHE 4 HA PHE 4 1.645 -7.730 4.432 36 HB2 PHE 4 HB2 PHE 4 1.182 -6.138 6.045 37 HB3 PHE 4 HB3 PHE 4 2.510 -7.032 6.741 38 HD1 PHE 4 HD2 PHE 4 1.561 -3.930 4.918 39 HD2 PHE 4 HD1 PHE 4 4.494 -5.856 7.398 40 HE1 PHE 4 HE2 PHE 4 2.666 -1.710 5.389 41 HE2 PHE 4 HE1 PHE 4 5.632 -3.664 7.769 42 HZ PHE 4 HZ PHE 4 4.683 -1.597 6.781 43 H CYS 5 H CYS 5 4.473 -5.933 3.389 44 HA CYS 5 HA CYS 5 3.006 -3.898 2.010 45 HB2 CYS 5 HB2 CYS 5 5.738 -4.491 2.742 46 HB3 CYS 5 HB3 CYS 5 5.693 -4.243 1.013 47 H GLU 6 H GLU 6 3.731 -7.210 1.240 48 HA GLU 6 HA GLU 6 3.588 -6.522 -1.685 49 HB2 GLU 6 HB2 GLU 6 4.803 -8.387 -2.214 50 HB3 GLU 6 HB3 GLU 6 5.582 -7.687 -0.800 51 HG2 GLU 6 HG2 GLU 6 4.155 -9.480 0.515 52 HG3 GLU 6 HG3 GLU 6 3.991 -10.262 -1.052 53 H LEU 7 H LEU 7 1.306 -7.007 0.463 54 HA LEU 7 HA LEU 7 -0.118 -9.240 -0.712 55 HB2 LEU 7 HB2 LEU 7 -1.173 -7.033 1.090 56 HB3 LEU 7 HB3 LEU 7 -1.882 -8.636 0.807 57 HG LEU 7 HG LEU 7 0.690 -7.979 2.280 58 HD11 LEU 7 HD11 LEU 7 -1.463 -7.556 3.439 59 HD12 LEU 7 HD12 LEU 7 -0.464 -8.778 4.229 60 HD13 LEU 7 HD13 LEU 7 -1.869 -9.274 3.258 61 HD21 LEU 7 HD21 LEU 7 0.855 -10.343 2.870 62 HD22 LEU 7 HD22 LEU 7 1.075 -10.088 1.146 63 HD23 LEU 7 HD23 LEU 7 -0.475 -10.734 1.747 64 H ALA 8 H ALA 8 -2.376 -8.907 -1.470 65 HA ALA 8 HA ALA 8 -2.467 -6.811 -3.581 66 HB1 ALA 8 HB1 ALA 8 -4.193 -8.226 -4.576 67 HB2 ALA 8 HB2 ALA 8 -2.663 -9.101 -4.375 68 HB3 ALA 8 HB3 ALA 8 -4.014 -9.391 -3.250 69 HA PRO 9 HA PRO 9 -5.392 -5.203 -0.457 70 HB2 PRO 9 HB2 PRO 9 -5.734 -2.685 -1.429 71 HB3 PRO 9 HB3 PRO 9 -4.262 -3.201 -0.555 72 HG2 PRO 9 HG2 PRO 9 -4.676 -2.957 -3.541 73 HG3 PRO 9 HG3 PRO 9 -3.269 -2.443 -2.557 74 HD2 PRO 9 HD2 PRO 9 -3.387 -4.819 -3.962 75 HD3 PRO 9 HD3 PRO 9 -2.404 -4.601 -2.489 76 H SER 10 H SER 10 -7.167 -6.512 -0.892 77 HA SER 10 HA SER 10 -8.691 -6.431 -3.305 78 HB2 SER 10 HB2 SER 10 -8.463 -8.407 -1.721 79 HB3 SER 10 HB3 SER 10 -9.533 -7.562 -0.607 80 HG SER 10 HG SER 10 -10.104 -8.501 -3.238 81 H ALA 11 H ALA 11 -8.902 -4.072 -3.382 82 HA ALA 11 HA ALA 11 -10.429 -2.507 -1.547 83 HB1 ALA 11 HB1 ALA 11 -9.848 -2.053 -4.510 84 HB2 ALA 11 HB2 ALA 11 -10.352 -0.824 -3.331 85 HB3 ALA 11 HB3 ALA 11 -8.768 -1.602 -3.171 86 H GLY 12 H GLY 12 -11.543 -5.021 -3.402 87 HA2 GLY 12 HA2 GLY 12 -14.187 -3.819 -4.044 88 HA3 GLY 12 HA3 GLY 12 -13.547 -5.359 -4.634 89 H SER 13 H SER 13 -12.587 -5.625 -1.593 90 HA SER 13 HA SER 13 -14.638 -7.419 -0.785 91 HB2 SER 13 HB2 SER 13 -12.206 -7.565 -0.310 92 HB3 SER 13 HB3 SER 13 -12.340 -6.154 0.732 93 HG SER 13 HG SER 13 -13.882 -7.470 1.992 94 H CYS 14 H CYS 14 -14.811 -4.067 -0.712 95 HA CYS 14 HA CYS 14 -17.039 -3.907 1.103 96 HB2 CYS 14 HB2 CYS 14 -14.852 -3.686 2.525 97 HB3 CYS 14 HB3 CYS 14 -14.669 -2.133 1.696 98 H PHE 15 H PHE 15 -17.696 -1.357 0.945 99 HA PHE 15 HA PHE 15 -16.724 -0.295 -1.671 100 HB2 PHE 15 HB2 PHE 15 -18.870 -1.464 -2.066 101 HB3 PHE 15 HB3 PHE 15 -19.627 -0.531 -0.790 102 HD1 PHE 15 HD1 PHE 15 -19.431 2.214 -1.135 103 HD2 PHE 15 HD2 PHE 15 -19.185 -0.755 -4.277 104 HE1 PHE 15 HE1 PHE 15 -19.806 3.941 -2.778 105 HE2 PHE 15 HE2 PHE 15 -19.733 0.999 -5.932 106 HZ PHE 15 HZ PHE 15 -20.003 3.359 -5.210 107 H ALA 16 H ALA 16 -15.635 1.375 -0.965 108 HA ALA 16 HA ALA 16 -16.925 3.538 0.387 109 HB1 ALA 16 HB1 ALA 16 -14.368 2.680 1.704 110 HB2 ALA 16 HB2 ALA 16 -15.678 3.668 2.338 111 HB3 ALA 16 HB3 ALA 16 -15.884 1.900 2.220 112 H PHE 17 H PHE 17 -15.314 5.488 0.248 113 HA PHE 17 HA PHE 17 -13.292 5.030 -1.927 114 HB2 PHE 17 HB2 PHE 17 -15.202 6.097 -2.854 115 HB3 PHE 17 HB3 PHE 17 -15.278 7.275 -1.542 116 HD1 PHE 17 HD2 PHE 17 -12.364 6.144 -3.682 117 HD2 PHE 17 HD1 PHE 17 -14.980 9.389 -2.556 118 HE1 PHE 17 HE2 PHE 17 -10.902 7.736 -4.881 119 HE2 PHE 17 HE1 PHE 17 -13.539 10.967 -3.810 120 HZ PHE 17 HZ PHE 17 -11.472 10.145 -4.929 121 H VAL 18 H VAL 18 -11.474 4.889 -0.639 122 HA VAL 18 HA VAL 18 -10.661 7.381 0.710 123 HB VAL 18 HB VAL 18 -9.636 5.923 2.519 124 HG11 VAL 18 HG11 VAL 18 -11.620 6.125 3.895 125 HG12 VAL 18 HG12 VAL 18 -11.596 7.487 2.769 126 HG13 VAL 18 HG13 VAL 18 -12.685 6.126 2.472 127 HG21 VAL 18 HG21 VAL 18 -10.876 3.881 3.133 128 HG22 VAL 18 HG22 VAL 18 -11.833 3.981 1.645 129 HG23 VAL 18 HG23 VAL 18 -10.081 3.671 1.569 130 HA PRO 19 HA PRO 19 -7.549 5.988 -2.327 131 HB2 PRO 19 HB2 PRO 19 -6.280 8.415 -2.659 132 HB3 PRO 19 HB3 PRO 19 -7.751 7.900 -3.545 133 HG2 PRO 19 HG2 PRO 19 -7.577 9.641 -1.074 134 HG3 PRO 19 HG3 PRO 19 -8.546 9.896 -2.561 135 HD2 PRO 19 HD2 PRO 19 -9.615 8.844 -0.307 136 HD3 PRO 19 HD3 PRO 19 -10.119 8.248 -1.922 137 H SER 20 H SER 20 -5.976 4.836 -1.436 138 HA SER 20 HA SER 20 -4.363 5.952 0.795 139 HB2 SER 20 HB2 SER 20 -5.159 3.065 0.490 140 HB3 SER 20 HB3 SER 20 -4.331 3.865 1.830 141 HG SER 20 HG SER 20 -6.952 4.507 0.947 142 H TYR 21 H TYR 21 -2.236 4.080 0.848 143 HA TYR 21 HA TYR 21 -0.985 4.546 -1.850 144 HB2 TYR 21 HB2 TYR 21 0.032 4.871 0.922 145 HB3 TYR 21 HB3 TYR 21 1.151 4.177 -0.233 146 HD1 TYR 21 HD2 TYR 21 1.977 5.529 -2.230 147 HD2 TYR 21 HD1 TYR 21 -0.681 7.163 0.775 148 HE1 TYR 21 HE2 TYR 21 2.414 7.784 -3.066 149 HE2 TYR 21 HE1 TYR 21 -0.149 9.427 0.002 150 HH TYR 21 HH TYR 21 2.195 10.106 -2.635 151 H TYR 22 H TYR 22 0.041 2.987 -2.888 152 HA TYR 22 HA TYR 22 -0.074 0.169 -1.923 153 HB2 TYR 22 HB2 TYR 22 -1.381 1.044 -4.051 154 HB3 TYR 22 HB3 TYR 22 0.154 1.268 -4.770 155 HD1 TYR 22 HD1 TYR 22 1.690 -0.930 -4.963 156 HD2 TYR 22 HD2 TYR 22 -2.569 -0.900 -4.375 157 HE1 TYR 22 HE1 TYR 22 1.591 -3.177 -5.895 158 HE2 TYR 22 HE2 TYR 22 -2.710 -3.166 -5.372 159 HH TYR 22 HH TYR 22 0.088 -4.775 -6.862 160 H TYR 23 H TYR 23 1.844 -1.028 -2.197 161 HA TYR 23 HA TYR 23 4.354 0.522 -2.849 162 HB2 TYR 23 HB2 TYR 23 4.463 -0.166 -0.619 163 HB3 TYR 23 HB3 TYR 23 3.780 -1.756 -0.973 164 HD1 TYR 23 HD1 TYR 23 6.858 0.364 -1.231 165 HD2 TYR 23 HD2 TYR 23 5.161 -3.578 -1.564 166 HE1 TYR 23 HE1 TYR 23 9.108 -0.632 -1.110 167 HE2 TYR 23 HE2 TYR 23 7.423 -4.563 -1.270 168 HH TYR 23 HH TYR 23 10.231 -2.743 -0.644 169 H ASN 24 H ASN 24 5.619 -0.068 -4.538 170 HA ASN 24 HA ASN 24 4.987 -2.609 -5.944 171 HB2 ASN 24 HB2 ASN 24 5.672 0.120 -7.026 172 HB3 ASN 24 HB3 ASN 24 6.144 -1.346 -7.905 173 HD21 ASN 24 HD21 ASN 24 4.651 -1.640 -9.581 174 HD22 ASN 24 HD22 ASN 24 2.911 -1.616 -9.304 175 H GLN 25 H GLN 25 6.397 -3.842 -4.820 176 HA GLN 25 HA GLN 25 9.074 -3.301 -4.110 177 HB2 GLN 25 HB2 GLN 25 9.390 -5.661 -3.842 178 HB3 GLN 25 HB3 GLN 25 7.857 -5.208 -3.168 179 HG2 GLN 25 HG2 GLN 25 8.219 -6.638 -5.798 180 HG3 GLN 25 HG3 GLN 25 7.810 -7.384 -4.265 181 HE21 GLN 25 HE21 GLN 25 5.796 -5.056 -3.568 182 HE22 GLN 25 HE22 GLN 25 4.486 -5.433 -4.686 183 H TYR 26 H TYR 26 7.658 -4.488 -7.179 184 HA TYR 26 HA TYR 26 10.102 -5.218 -8.403 185 HB2 TYR 26 HB2 TYR 26 7.489 -4.238 -9.601 186 HB3 TYR 26 HB3 TYR 26 8.799 -4.961 -10.520 187 HD1 TYR 26 HD2 TYR 26 9.693 -7.326 -9.347 188 HD2 TYR 26 HD1 TYR 26 5.703 -5.695 -9.205 189 HE1 TYR 26 HE2 TYR 26 8.787 -9.596 -9.060 190 HE2 TYR 26 HE1 TYR 26 4.785 -7.971 -8.818 191 HH TYR 26 HH TYR 26 6.876 -10.873 -9.050 192 H SER 27 H SER 27 8.827 -2.068 -7.699 193 HA SER 27 HA SER 27 10.907 -0.854 -9.480 194 HB2 SER 27 HB2 SER 27 8.532 -0.500 -10.201 195 HB3 SER 27 HB3 SER 27 8.263 0.397 -8.696 196 HG SER 27 HG SER 27 8.835 1.797 -10.385 197 H ASN 28 H ASN 28 10.378 -1.701 -6.395 198 HA ASN 28 HA ASN 28 10.947 -1.003 -4.341 199 HB2 ASN 28 HB2 ASN 28 13.141 -1.402 -5.491 200 HB3 ASN 28 HB3 ASN 28 13.213 0.295 -5.933 201 HD21 ASN 28 HD21 ASN 28 12.743 -1.605 -2.846 202 HD22 ASN 28 HD22 ASN 28 14.051 -0.719 -2.052 203 H THR 29 H THR 29 8.865 0.504 -5.190 204 HA THR 29 HA THR 29 9.293 2.998 -3.808 205 HB THR 29 HB THR 29 10.061 3.375 -6.203 206 HG1 THR 29 HG1 THR 29 9.675 5.291 -5.731 207 HG21 THR 29 HG21 THR 29 8.444 3.750 -7.938 208 HG22 THR 29 HG22 THR 29 7.086 3.390 -6.862 209 HG23 THR 29 HG23 THR 29 8.217 2.105 -7.344 210 H CYS 30 H CYS 30 6.970 4.262 -4.296 211 HA CYS 30 HA CYS 30 4.746 2.297 -4.043 212 HB2 CYS 30 HB2 CYS 30 5.257 4.694 -2.262 213 HB3 CYS 30 HB3 CYS 30 3.797 3.725 -2.231 214 H HIS 31 H HIS 31 2.608 3.462 -4.253 215 HA HIS 31 HA HIS 31 2.652 6.099 -5.484 216 HB2 HIS 31 HB2 HIS 31 3.166 4.131 -7.212 217 HB3 HIS 31 HB3 HIS 31 1.446 3.813 -7.081 218 HD1 HIS 31 HD1 HIS 31 0.494 4.834 -9.304 219 HD2 HIS 31 HD2 HIS 31 3.427 7.149 -7.386 220 HE1 HIS 31 HE1 HIS 31 0.725 6.949 -10.692 221 H SER 32 H SER 32 0.515 7.019 -5.489 222 HA SER 32 HA SER 32 -1.196 5.896 -3.446 223 HB2 SER 32 HB2 SER 32 -2.598 7.790 -3.824 224 HB3 SER 32 HB3 SER 32 -0.909 8.290 -3.689 225 HG SER 32 HG SER 32 -0.908 8.348 -6.101 226 H PHE 33 H PHE 33 -3.136 4.753 -3.639 227 HA PHE 33 HA PHE 33 -4.251 4.172 -6.301 228 HB2 PHE 33 HB2 PHE 33 -4.247 1.890 -6.097 229 HB3 PHE 33 HB3 PHE 33 -2.650 2.303 -5.523 230 HD1 PHE 33 HD2 PHE 33 -2.502 2.593 -2.851 231 HD2 PHE 33 HD1 PHE 33 -5.550 0.354 -4.885 232 HE1 PHE 33 HE2 PHE 33 -3.039 1.366 -0.739 233 HE2 PHE 33 HE1 PHE 33 -6.107 -0.804 -2.805 234 HZ PHE 33 HZ PHE 33 -4.807 -0.249 -0.667 235 H THR 34 H THR 34 -6.443 2.702 -5.669 236 HA THR 34 HA THR 34 -7.926 4.444 -3.740 237 HB THR 34 HB THR 34 -9.923 3.513 -5.069 238 HG1 THR 34 HG1 THR 34 -9.482 2.246 -6.590 239 HG21 THR 34 HG21 THR 34 -9.118 5.851 -5.252 240 HG22 THR 34 HG22 THR 34 -9.700 5.224 -6.800 241 HG23 THR 34 HG23 THR 34 -7.957 5.350 -6.500 242 H TYR 35 H TYR 35 -8.650 3.605 -1.835 243 HA TYR 35 HA TYR 35 -8.879 0.679 -1.634 244 HB2 TYR 35 HB2 TYR 35 -6.933 1.712 -0.378 245 HB3 TYR 35 HB3 TYR 35 -8.111 2.476 0.664 246 HD1 TYR 35 HD1 TYR 35 -7.363 -0.938 -0.815 247 HD2 TYR 35 HD2 TYR 35 -8.307 1.354 2.721 248 HE1 TYR 35 HE1 TYR 35 -7.012 -2.938 0.580 249 HE2 TYR 35 HE2 TYR 35 -8.045 -0.657 4.101 250 HH TYR 35 HH TYR 35 -7.497 -2.940 4.125 251 H SER 36 H SER 36 -10.417 0.098 0.364 252 HA SER 36 HA SER 36 -12.595 2.097 0.569 253 HB2 SER 36 HB2 SER 36 -12.821 -0.889 0.125 254 HB3 SER 36 HB3 SER 36 -14.172 0.198 0.482 255 HG SER 36 HG SER 36 -13.505 1.427 -1.410 256 H GLY 37 H GLY 37 -10.222 1.035 2.377 257 HA2 GLY 37 HA2 GLY 37 -9.877 1.091 4.664 258 HA3 GLY 37 HA3 GLY 37 -11.577 1.529 4.879 259 H CYS 38 H CYS 38 -13.160 -0.220 4.638 260 HA CYS 38 HA CYS 38 -12.523 -2.529 6.273 261 HB2 CYS 38 HB2 CYS 38 -14.930 -3.149 5.411 262 HB3 CYS 38 HB3 CYS 38 -14.703 -1.800 6.514 263 H GLY 39 H GLY 39 -12.523 -4.813 5.497 264 HA2 GLY 39 HA2 GLY 39 -12.053 -6.450 3.925 265 HA3 GLY 39 HA3 GLY 39 -12.575 -5.333 2.653 266 H GLY 40 H GLY 40 -10.672 -6.328 1.517 267 HA2 GLY 40 HA2 GLY 40 -8.681 -5.955 0.540 268 HA3 GLY 40 HA3 GLY 40 -8.487 -4.513 1.519 269 H ASN 41 H ASN 41 -6.200 -5.137 1.467 270 HA ASN 41 HA ASN 41 -5.493 -7.041 3.609 271 HB2 ASN 41 HB2 ASN 41 -4.241 -6.945 0.816 272 HB3 ASN 41 HB3 ASN 41 -3.402 -7.543 2.208 273 HD21 ASN 41 HD21 ASN 41 -5.525 -8.629 -0.253 274 HD22 ASN 41 HD22 ASN 41 -6.026 -10.108 0.542 275 H ALA 42 H ALA 42 -3.330 -6.670 4.405 276 HA ALA 42 HA ALA 42 -2.921 -4.121 5.241 277 HB1 ALA 42 HB1 ALA 42 -0.869 -4.911 6.222 278 HB2 ALA 42 HB2 ALA 42 -2.075 -6.206 6.292 279 HB3 ALA 42 HB3 ALA 42 -0.776 -6.252 5.064 280 H ASN 43 H ASN 43 -2.091 -4.962 1.992 281 HA ASN 43 HA ASN 43 0.292 -3.381 1.726 282 HB2 ASN 43 HB2 ASN 43 -0.375 -5.026 0.070 283 HB3 ASN 43 HB3 ASN 43 -1.806 -4.066 -0.354 284 HD21 ASN 43 HD21 ASN 43 -1.309 -3.378 -2.516 285 HD22 ASN 43 HD22 ASN 43 0.243 -2.755 -2.955 286 H ARG 44 H ARG 44 -2.747 -2.332 2.674 287 HA ARG 44 HA ARG 44 -2.688 0.231 1.194 288 HB2 ARG 44 HB2 ARG 44 -4.883 -0.573 1.679 289 HB3 ARG 44 HB3 ARG 44 -4.487 -0.957 3.351 290 HG2 ARG 44 HG2 ARG 44 -4.162 1.904 2.486 291 HG3 ARG 44 HG3 ARG 44 -5.790 1.328 2.549 292 HD2 ARG 44 HD2 ARG 44 -3.844 1.442 4.879 293 HD3 ARG 44 HD3 ARG 44 -5.276 2.439 4.610 294 HE ARG 44 HE ARG 44 -5.869 -0.381 4.660 295 HH11 ARG 44 HH11 ARG 44 -5.049 2.298 6.902 296 HH12 ARG 44 HH12 ARG 44 -6.050 1.657 8.154 297 HH21 ARG 44 HH21 ARG 44 -7.113 -1.217 6.516 298 HH22 ARG 44 HH22 ARG 44 -7.081 -0.288 7.986 299 H PHE 45 H PHE 45 -1.657 1.985 1.919 300 HA PHE 45 HA PHE 45 -0.733 2.149 4.749 301 HB2 PHE 45 HB2 PHE 45 0.805 3.362 2.465 302 HB3 PHE 45 HB3 PHE 45 1.375 3.000 4.079 303 HD1 PHE 45 HD1 PHE 45 0.784 0.197 4.573 304 HD2 PHE 45 HD2 PHE 45 1.775 2.106 0.826 305 HE1 PHE 45 HE1 PHE 45 1.425 -1.995 3.593 306 HE2 PHE 45 HE2 PHE 45 2.401 -0.058 -0.082 307 HZ PHE 45 HZ PHE 45 2.305 -2.099 1.266 308 H ARG 46 H ARG 46 -0.075 4.590 5.169 309 HA ARG 46 HA ARG 46 -2.389 6.225 4.219 310 HB2 ARG 46 HB2 ARG 46 -1.754 7.646 6.302 311 HB3 ARG 46 HB3 ARG 46 -2.725 6.197 6.424 312 HG2 ARG 46 HG2 ARG 46 -1.134 6.379 8.258 313 HG3 ARG 46 HG3 ARG 46 -0.928 4.907 7.330 314 HD2 ARG 46 HD2 ARG 46 1.244 5.755 7.925 315 HD3 ARG 46 HD3 ARG 46 1.065 5.939 6.198 316 HE ARG 46 HE ARG 46 0.965 8.263 6.398 317 HH11 ARG 46 HH11 ARG 46 1.419 6.744 9.670 318 HH12 ARG 46 HH12 ARG 46 1.802 8.293 10.354 319 HH21 ARG 46 HH21 ARG 46 1.297 10.255 7.542 320 HH22 ARG 46 HH22 ARG 46 1.807 10.198 9.202 321 H THR 47 H THR 47 1.097 6.066 3.981 322 HA THR 47 HA THR 47 0.958 8.280 2.247 323 HB THR 47 HB THR 47 1.130 9.443 4.478 324 HG1 THR 47 HG1 THR 47 1.915 10.650 2.853 325 HG21 THR 47 HG21 THR 47 3.992 8.471 4.559 326 HG22 THR 47 HG22 THR 47 2.753 7.566 5.387 327 HG23 THR 47 HG23 THR 47 3.074 9.268 5.834 328 H ILE 48 H ILE 48 2.988 8.592 1.122 329 HA ILE 48 HA ILE 48 4.273 6.160 0.573 330 HB ILE 48 HB ILE 48 4.017 7.609 -1.215 331 HG12 ILE 48 HG12 ILE 48 6.973 7.686 -0.509 332 HG13 ILE 48 HG13 ILE 48 6.125 6.284 -1.092 333 HG21 ILE 48 HG21 ILE 48 5.596 9.757 0.255 334 HG22 ILE 48 HG22 ILE 48 4.952 9.886 -1.388 335 HG23 ILE 48 HG23 ILE 48 3.842 9.798 -0.035 336 HD11 ILE 48 HD11 ILE 48 6.577 8.878 -2.596 337 HD12 ILE 48 HD12 ILE 48 7.183 7.266 -2.995 338 HD13 ILE 48 HD13 ILE 48 5.451 7.612 -3.149 339 H ASP 49 H ASP 49 4.998 8.909 2.631 340 HA ASP 49 HA ASP 49 7.762 8.461 3.016 341 HB2 ASP 49 HB2 ASP 49 5.828 9.728 4.966 342 HB3 ASP 49 HB3 ASP 49 7.583 9.876 4.973 343 H GLU 50 H GLU 50 4.921 6.936 4.543 344 HA GLU 50 HA GLU 50 6.524 5.581 6.557 345 HB2 GLU 50 HB2 GLU 50 4.030 6.349 6.778 346 HB3 GLU 50 HB3 GLU 50 3.638 4.996 5.758 347 HG2 GLU 50 HG2 GLU 50 3.323 4.315 8.017 348 HG3 GLU 50 HG3 GLU 50 4.761 3.472 7.439 349 H CYS 51 H CYS 51 4.733 4.804 3.518 350 HA CYS 51 HA CYS 51 5.271 2.074 3.654 351 HB2 CYS 51 HB2 CYS 51 4.335 1.884 1.514 352 HB3 CYS 51 HB3 CYS 51 3.578 3.365 2.184 353 H ASN 52 H ASN 52 7.164 4.680 2.163 354 HA ASN 52 HA ASN 52 8.976 2.801 1.000 355 HB2 ASN 52 HB2 ASN 52 9.988 4.497 -0.077 356 HB3 ASN 52 HB3 ASN 52 8.444 5.262 0.239 357 HD21 ASN 52 HD21 ASN 52 8.400 6.996 1.591 358 HD22 ASN 52 HD22 ASN 52 9.805 7.813 2.226 359 H ARG 53 H ARG 53 9.262 5.046 3.818 360 HA ARG 53 HA ARG 53 11.725 4.039 4.629 361 HB2 ARG 53 HB2 ARG 53 11.526 5.181 6.595 362 HB3 ARG 53 HB3 ARG 53 10.386 6.034 5.556 363 HG2 ARG 53 HG2 ARG 53 8.535 4.693 6.625 364 HG3 ARG 53 HG3 ARG 53 9.709 4.031 7.757 365 HD2 ARG 53 HD2 ARG 53 9.037 6.983 7.398 366 HD3 ARG 53 HD3 ARG 53 8.448 5.941 8.708 367 HE ARG 53 HE ARG 53 11.191 5.695 8.842 368 HH11 ARG 53 HH11 ARG 53 8.849 8.284 9.328 369 HH12 ARG 53 HH12 ARG 53 9.938 9.339 10.175 370 HH21 ARG 53 HH21 ARG 53 12.719 7.159 9.692 371 HH22 ARG 53 HH22 ARG 53 12.206 8.627 10.479 372 H THR 54 H THR 54 8.642 2.369 5.025 373 HA THR 54 HA THR 54 9.947 0.388 6.757 374 HB THR 54 HB THR 54 7.743 1.457 7.255 375 HG1 THR 54 HG1 THR 54 7.883 -1.352 7.155 376 HG21 THR 54 HG21 THR 54 6.846 0.858 4.833 377 HG22 THR 54 HG22 THR 54 5.765 0.787 6.231 378 HG23 THR 54 HG23 THR 54 6.485 -0.700 5.570 379 H CYS 55 H CYS 55 9.380 0.579 3.309 380 HA CYS 55 HA CYS 55 9.981 -2.326 3.143 381 HB2 CYS 55 HB2 CYS 55 7.887 -1.029 1.384 382 HB3 CYS 55 HB3 CYS 55 8.314 -2.746 1.498 383 H VAL 56 H VAL 56 10.369 0.854 1.801 384 HA VAL 56 HA VAL 56 11.579 -0.154 -0.727 385 HB VAL 56 HB VAL 56 11.151 2.629 0.371 386 HG11 VAL 56 HG11 VAL 56 11.899 3.493 -1.829 387 HG12 VAL 56 HG12 VAL 56 13.198 2.841 -0.834 388 HG13 VAL 56 HG13 VAL 56 12.566 1.878 -2.181 389 HG21 VAL 56 HG21 VAL 56 9.148 1.469 -0.596 390 HG22 VAL 56 HG22 VAL 56 9.646 2.836 -1.583 391 HG23 VAL 56 HG23 VAL 56 10.063 1.196 -2.090 392 H GLY 57 H GLY 57 13.034 -1.498 0.261 393 HA2 GLY 57 HA2 GLY 57 15.099 -0.480 2.094 394 HA3 GLY 57 HA3 GLY 57 14.932 -2.145 1.468 Start of MODEL 12 1 H1 ARG 1 H ARG 1 12.783 -5.007 1.850 2 HA ARG 1 HA ARG 1 10.655 -4.297 2.758 3 HB2 ARG 1 HB2 ARG 1 9.203 -4.820 0.804 4 HB3 ARG 1 HB3 ARG 1 10.696 -4.012 0.489 5 HG2 ARG 1 HG2 ARG 1 10.824 -6.975 0.089 6 HG3 ARG 1 HG3 ARG 1 9.762 -6.068 -0.962 7 HD2 ARG 1 HD2 ARG 1 11.650 -5.917 -2.222 8 HD3 ARG 1 HD3 ARG 1 11.748 -4.437 -1.348 9 HE ARG 1 HE ARG 1 13.661 -5.178 -0.228 10 HH11 ARG 1 HH11 ARG 1 12.173 -7.850 -2.025 11 HH12 ARG 1 HH12 ARG 1 13.615 -8.816 -2.089 12 HH21 ARG 1 HH21 ARG 1 15.619 -6.466 -0.287 13 HH22 ARG 1 HH22 ARG 1 15.608 -7.955 -1.184 14 HA PRO 2 HA PRO 2 8.975 -7.637 5.152 15 HB2 PRO 2 HB2 PRO 2 6.802 -6.317 6.230 16 HB3 PRO 2 HB3 PRO 2 8.480 -6.071 6.798 17 HG2 PRO 2 HG2 PRO 2 6.923 -4.427 4.837 18 HG3 PRO 2 HG3 PRO 2 7.906 -3.841 6.218 19 HD2 PRO 2 HD2 PRO 2 8.959 -3.835 3.735 20 HD3 PRO 2 HD3 PRO 2 9.946 -4.345 5.125 21 H ARG 3 H ARG 3 7.302 -9.129 5.022 22 HA ARG 3 HA ARG 3 6.040 -9.408 2.544 23 HB2 ARG 3 HB2 ARG 3 4.949 -11.383 3.443 24 HB3 ARG 3 HB3 ARG 3 6.628 -11.294 3.949 25 HG2 ARG 3 HG2 ARG 3 5.607 -11.988 5.886 26 HG3 ARG 3 HG3 ARG 3 5.713 -10.254 6.160 27 HD2 ARG 3 HD2 ARG 3 3.597 -10.774 6.922 28 HD3 ARG 3 HD3 ARG 3 3.237 -10.177 5.320 29 HE ARG 3 HE ARG 3 2.750 -12.353 4.553 30 HH11 ARG 3 HH11 ARG 3 3.794 -12.492 7.986 31 HH12 ARG 3 HH12 ARG 3 2.880 -13.923 8.287 32 HH21 ARG 3 HH21 ARG 3 1.656 -14.173 4.970 33 HH22 ARG 3 HH22 ARG 3 1.598 -14.951 6.524 34 H PHE 4 H PHE 4 4.819 -7.636 5.344 35 HA PHE 4 HA PHE 4 2.072 -7.992 4.595 36 HB2 PHE 4 HB2 PHE 4 1.532 -6.539 6.303 37 HB3 PHE 4 HB3 PHE 4 2.951 -7.355 6.888 38 HD1 PHE 4 HD2 PHE 4 1.649 -4.197 5.402 39 HD2 PHE 4 HD1 PHE 4 4.946 -6.073 7.438 40 HE1 PHE 4 HE2 PHE 4 2.666 -1.981 5.757 41 HE2 PHE 4 HE1 PHE 4 6.029 -3.850 7.702 42 HZ PHE 4 HZ PHE 4 4.897 -1.804 6.875 43 H CYS 5 H CYS 5 4.608 -5.778 3.376 44 HA CYS 5 HA CYS 5 2.504 -4.009 2.373 45 HB2 CYS 5 HB2 CYS 5 4.322 -2.666 1.469 46 HB3 CYS 5 HB3 CYS 5 4.295 -2.889 3.220 47 H GLU 6 H GLU 6 3.852 -6.874 1.282 48 HA GLU 6 HA GLU 6 3.469 -6.152 -1.607 49 HB2 GLU 6 HB2 GLU 6 4.747 -8.231 -2.035 50 HB3 GLU 6 HB3 GLU 6 5.619 -7.049 -1.044 51 HG2 GLU 6 HG2 GLU 6 5.132 -8.248 0.981 52 HG3 GLU 6 HG3 GLU 6 4.083 -9.402 0.142 53 H LEU 7 H LEU 7 1.311 -6.748 0.495 54 HA LEU 7 HA LEU 7 0.158 -9.316 -0.443 55 HB2 LEU 7 HB2 LEU 7 -0.964 -7.291 1.514 56 HB3 LEU 7 HB3 LEU 7 -1.562 -8.932 1.222 57 HG LEU 7 HG LEU 7 1.091 -8.165 2.473 58 HD11 LEU 7 HD11 LEU 7 -0.877 -7.875 3.925 59 HD12 LEU 7 HD12 LEU 7 0.162 -9.188 4.498 60 HD13 LEU 7 HD13 LEU 7 -1.340 -9.571 3.642 61 HD21 LEU 7 HD21 LEU 7 1.408 -10.251 1.251 62 HD22 LEU 7 HD22 LEU 7 -0.027 -10.952 2.058 63 HD23 LEU 7 HD23 LEU 7 1.432 -10.525 2.989 64 H ALA 8 H ALA 8 -2.484 -9.008 -0.738 65 HA ALA 8 HA ALA 8 -2.686 -7.086 -3.006 66 HB1 ALA 8 HB1 ALA 8 -3.092 -9.254 -3.732 67 HB2 ALA 8 HB2 ALA 8 -4.165 -9.614 -2.354 68 HB3 ALA 8 HB3 ALA 8 -4.665 -8.439 -3.605 69 HA PRO 9 HA PRO 9 -5.280 -4.975 0.082 70 HB2 PRO 9 HB2 PRO 9 -5.138 -2.449 -0.825 71 HB3 PRO 9 HB3 PRO 9 -3.725 -3.246 -0.128 72 HG2 PRO 9 HG2 PRO 9 -4.448 -2.994 -3.078 73 HG3 PRO 9 HG3 PRO 9 -2.890 -2.599 -2.291 74 HD2 PRO 9 HD2 PRO 9 -3.366 -4.996 -3.505 75 HD3 PRO 9 HD3 PRO 9 -2.263 -4.786 -2.119 76 H SER 10 H SER 10 -6.872 -6.573 -1.260 77 HA SER 10 HA SER 10 -8.494 -5.799 -3.359 78 HB2 SER 10 HB2 SER 10 -8.532 -8.043 -2.356 79 HB3 SER 10 HB3 SER 10 -9.327 -7.414 -0.911 80 HG SER 10 HG SER 10 -10.316 -8.089 -3.363 81 H ALA 11 H ALA 11 -9.290 -3.774 -3.484 82 HA ALA 11 HA ALA 11 -10.626 -2.547 -1.187 83 HB1 ALA 11 HB1 ALA 11 -10.096 -1.530 -4.011 84 HB2 ALA 11 HB2 ALA 11 -10.767 -0.566 -2.686 85 HB3 ALA 11 HB3 ALA 11 -9.109 -1.212 -2.570 86 H GLY 12 H GLY 12 -11.575 -4.764 -3.492 87 HA2 GLY 12 HA2 GLY 12 -14.244 -3.633 -4.052 88 HA3 GLY 12 HA3 GLY 12 -13.560 -5.133 -4.692 89 H SER 13 H SER 13 -12.895 -5.401 -1.526 90 HA SER 13 HA SER 13 -14.959 -7.331 -1.042 91 HB2 SER 13 HB2 SER 13 -12.942 -5.977 0.762 92 HB3 SER 13 HB3 SER 13 -13.913 -7.380 1.237 93 HG SER 13 HG SER 13 -12.202 -7.428 -1.057 94 H CYS 14 H CYS 14 -14.460 -3.966 0.112 95 HA CYS 14 HA CYS 14 -17.238 -3.915 1.187 96 HB2 CYS 14 HB2 CYS 14 -14.729 -2.611 2.306 97 HB3 CYS 14 HB3 CYS 14 -16.370 -2.421 2.922 98 H PHE 15 H PHE 15 -18.146 -1.581 1.158 99 HA PHE 15 HA PHE 15 -16.969 -0.227 -1.248 100 HB2 PHE 15 HB2 PHE 15 -19.218 -0.901 -1.696 101 HB3 PHE 15 HB3 PHE 15 -19.787 -0.199 -0.176 102 HD1 PHE 15 HD2 PHE 15 -17.401 1.275 -2.734 103 HD2 PHE 15 HD1 PHE 15 -21.245 1.584 -0.794 104 HE1 PHE 15 HE2 PHE 15 -17.782 3.426 -3.839 105 HE2 PHE 15 HE1 PHE 15 -21.663 3.692 -1.964 106 HZ PHE 15 HZ PHE 15 -19.932 4.629 -3.523 107 H ALA 16 H ALA 16 -15.575 1.138 -0.554 108 HA ALA 16 HA ALA 16 -16.347 3.453 0.998 109 HB1 ALA 16 HB1 ALA 16 -14.223 1.463 1.835 110 HB2 ALA 16 HB2 ALA 16 -14.033 3.190 2.188 111 HB3 ALA 16 HB3 ALA 16 -15.422 2.285 2.823 112 H PHE 17 H PHE 17 -14.877 5.198 0.390 113 HA PHE 17 HA PHE 17 -13.118 4.631 -1.961 114 HB2 PHE 17 HB2 PHE 17 -15.215 5.365 -2.845 115 HB3 PHE 17 HB3 PHE 17 -15.353 6.653 -1.651 116 HD1 PHE 17 HD2 PHE 17 -12.582 5.661 -4.017 117 HD2 PHE 17 HD1 PHE 17 -15.316 8.737 -2.731 118 HE1 PHE 17 HE2 PHE 17 -11.444 7.279 -5.496 119 HE2 PHE 17 HE1 PHE 17 -14.260 10.319 -4.301 120 HZ PHE 17 HZ PHE 17 -12.336 9.604 -5.690 121 H VAL 18 H VAL 18 -11.169 4.868 -0.828 122 HA VAL 18 HA VAL 18 -10.629 7.585 0.079 123 HB VAL 18 HB VAL 18 -9.312 6.533 2.007 124 HG11 VAL 18 HG11 VAL 18 -12.352 6.481 2.230 125 HG12 VAL 18 HG12 VAL 18 -11.184 6.775 3.530 126 HG13 VAL 18 HG13 VAL 18 -11.378 7.958 2.203 127 HG21 VAL 18 HG21 VAL 18 -9.609 4.133 1.396 128 HG22 VAL 18 HG22 VAL 18 -10.255 4.499 3.012 129 HG23 VAL 18 HG23 VAL 18 -11.357 4.292 1.645 130 HA PRO 19 HA PRO 19 -7.347 6.236 -2.661 131 HB2 PRO 19 HB2 PRO 19 -5.712 8.440 -2.620 132 HB3 PRO 19 HB3 PRO 19 -7.238 8.357 -3.560 133 HG2 PRO 19 HG2 PRO 19 -6.808 9.588 -0.828 134 HG3 PRO 19 HG3 PRO 19 -7.655 10.288 -2.238 135 HD2 PRO 19 HD2 PRO 19 -9.010 9.026 -0.231 136 HD3 PRO 19 HD3 PRO 19 -9.521 8.854 -1.943 137 H SER 20 H SER 20 -5.656 4.993 -2.063 138 HA SER 20 HA SER 20 -4.252 5.529 0.515 139 HB2 SER 20 HB2 SER 20 -5.934 3.745 0.712 140 HB3 SER 20 HB3 SER 20 -5.098 2.875 -0.603 141 HG SER 20 HG SER 20 -3.867 3.616 1.851 142 H TYR 21 H TYR 21 -2.270 3.682 0.349 143 HA TYR 21 HA TYR 21 -0.816 4.504 -2.155 144 HB2 TYR 21 HB2 TYR 21 0.013 4.622 0.690 145 HB3 TYR 21 HB3 TYR 21 1.204 4.072 -0.484 146 HD1 TYR 21 HD2 TYR 21 2.049 5.664 -2.313 147 HD2 TYR 21 HD1 TYR 21 -0.845 6.870 0.684 148 HE1 TYR 21 HE2 TYR 21 2.305 8.012 -2.983 149 HE2 TYR 21 HE1 TYR 21 -0.510 9.205 0.079 150 HH TYR 21 HH TYR 21 0.562 10.696 -1.385 151 H TYR 22 H TYR 22 0.087 3.016 -3.273 152 HA TYR 22 HA TYR 22 -0.149 0.192 -2.412 153 HB2 TYR 22 HB2 TYR 22 -1.264 1.219 -4.564 154 HB3 TYR 22 HB3 TYR 22 0.336 1.155 -5.249 155 HD1 TYR 22 HD1 TYR 22 1.624 -1.200 -4.876 156 HD2 TYR 22 HD2 TYR 22 -2.648 -0.659 -4.789 157 HE1 TYR 22 HE1 TYR 22 1.360 -3.583 -4.978 158 HE2 TYR 22 HE2 TYR 22 -2.954 -3.089 -5.067 159 HH TYR 22 HH TYR 22 -0.166 -5.350 -4.845 160 H TYR 23 H TYR 23 1.695 -0.874 -2.026 161 HA TYR 23 HA TYR 23 4.290 0.471 -2.592 162 HB2 TYR 23 HB2 TYR 23 3.972 -0.413 -0.373 163 HB3 TYR 23 HB3 TYR 23 3.541 -1.985 -1.017 164 HD1 TYR 23 HD1 TYR 23 6.400 0.477 -1.501 165 HD2 TYR 23 HD2 TYR 23 5.188 -3.618 -0.866 166 HE1 TYR 23 HE1 TYR 23 8.742 -0.248 -1.672 167 HE2 TYR 23 HE2 TYR 23 7.535 -4.322 -0.865 168 HH TYR 23 HH TYR 23 10.252 -2.064 -1.462 169 H ASN 24 H ASN 24 5.665 -0.057 -4.266 170 HA ASN 24 HA ASN 24 5.206 -2.624 -5.711 171 HB2 ASN 24 HB2 ASN 24 5.487 0.147 -6.834 172 HB3 ASN 24 HB3 ASN 24 6.232 -1.203 -7.685 173 HD21 ASN 24 HD21 ASN 24 4.925 -1.886 -9.375 174 HD22 ASN 24 HD22 ASN 24 3.210 -2.166 -9.191 175 H GLN 25 H GLN 25 6.738 -3.637 -4.489 176 HA GLN 25 HA GLN 25 9.386 -2.820 -4.025 177 HB2 GLN 25 HB2 GLN 25 9.881 -5.098 -3.520 178 HB3 GLN 25 HB3 GLN 25 8.312 -4.730 -2.866 179 HG2 GLN 25 HG2 GLN 25 8.865 -6.410 -5.316 180 HG3 GLN 25 HG3 GLN 25 8.424 -6.975 -3.721 181 HE21 GLN 25 HE21 GLN 25 6.113 -4.816 -3.360 182 HE22 GLN 25 HE22 GLN 25 4.997 -5.373 -4.581 183 H TYR 26 H TYR 26 7.879 -4.253 -6.904 184 HA TYR 26 HA TYR 26 10.140 -5.083 -8.300 185 HB2 TYR 26 HB2 TYR 26 7.639 -3.728 -9.381 186 HB3 TYR 26 HB3 TYR 26 8.760 -4.706 -10.310 187 HD1 TYR 26 HD2 TYR 26 9.249 -7.148 -8.983 188 HD2 TYR 26 HD1 TYR 26 5.605 -4.807 -8.951 189 HE1 TYR 26 HE2 TYR 26 7.925 -9.204 -8.599 190 HE2 TYR 26 HE1 TYR 26 4.295 -6.860 -8.539 191 HH TYR 26 HH TYR 26 4.353 -9.138 -8.270 192 H SER 27 H SER 27 8.902 -1.816 -7.761 193 HA SER 27 HA SER 27 11.166 -0.752 -9.418 194 HB2 SER 27 HB2 SER 27 8.807 -0.366 -10.254 195 HB3 SER 27 HB3 SER 27 8.571 0.683 -8.842 196 HG SER 27 HG SER 27 10.601 0.919 -10.834 197 H ASN 28 H ASN 28 10.594 -1.412 -6.329 198 HA ASN 28 HA ASN 28 11.188 -0.607 -4.325 199 HB2 ASN 28 HB2 ASN 28 13.392 -0.957 -5.389 200 HB3 ASN 28 HB3 ASN 28 13.322 0.615 -6.157 201 HD21 ASN 28 HD21 ASN 28 13.339 -0.748 -2.788 202 HD22 ASN 28 HD22 ASN 28 14.539 0.422 -2.253 203 H THR 29 H THR 29 8.993 0.742 -5.176 204 HA THR 29 HA THR 29 9.342 3.305 -3.882 205 HB THR 29 HB THR 29 9.916 3.717 -6.314 206 HG1 THR 29 HG1 THR 29 8.303 5.530 -6.379 207 HG21 THR 29 HG21 THR 29 8.207 2.195 -7.323 208 HG22 THR 29 HG22 THR 29 8.159 3.840 -7.964 209 HG23 THR 29 HG23 THR 29 6.932 3.316 -6.802 210 H CYS 30 H CYS 30 6.962 4.411 -4.216 211 HA CYS 30 HA CYS 30 4.832 2.430 -3.760 212 HB2 CYS 30 HB2 CYS 30 6.048 3.542 -1.609 213 HB3 CYS 30 HB3 CYS 30 4.977 4.879 -2.040 214 H HIS 31 H HIS 31 2.772 3.365 -4.397 215 HA HIS 31 HA HIS 31 2.849 6.079 -5.575 216 HB2 HIS 31 HB2 HIS 31 3.481 4.116 -7.178 217 HB3 HIS 31 HB3 HIS 31 1.776 3.673 -7.082 218 HD1 HIS 31 HD1 HIS 31 0.981 4.362 -9.502 219 HD2 HIS 31 HD2 HIS 31 3.437 7.156 -7.519 220 HE1 HIS 31 HE1 HIS 31 1.131 6.354 -11.034 221 H SER 32 H SER 32 0.808 7.084 -5.566 222 HA SER 32 HA SER 32 -1.059 5.997 -3.671 223 HB2 SER 32 HB2 SER 32 -2.424 7.899 -4.175 224 HB3 SER 32 HB3 SER 32 -0.745 8.382 -3.912 225 HG SER 32 HG SER 32 -0.534 8.406 -6.268 226 H PHE 33 H PHE 33 -3.037 4.966 -3.947 227 HA PHE 33 HA PHE 33 -4.091 4.495 -6.636 228 HB2 PHE 33 HB2 PHE 33 -4.041 2.215 -6.681 229 HB3 PHE 33 HB3 PHE 33 -2.479 2.562 -5.968 230 HD1 PHE 33 HD2 PHE 33 -2.555 2.699 -3.261 231 HD2 PHE 33 HD1 PHE 33 -5.306 0.503 -5.759 232 HE1 PHE 33 HE2 PHE 33 -3.230 1.342 -1.324 233 HE2 PHE 33 HE1 PHE 33 -5.982 -0.855 -3.792 234 HZ PHE 33 HZ PHE 33 -5.018 -0.350 -1.565 235 H THR 34 H THR 34 -6.333 2.962 -6.034 236 HA THR 34 HA THR 34 -7.762 4.699 -4.055 237 HB THR 34 HB THR 34 -9.777 3.727 -5.326 238 HG1 THR 34 HG1 THR 34 -9.516 2.763 -7.092 239 HG21 THR 34 HG21 THR 34 -9.044 6.070 -5.550 240 HG22 THR 34 HG22 THR 34 -9.622 5.428 -7.093 241 HG23 THR 34 HG23 THR 34 -7.878 5.603 -6.803 242 H TYR 35 H TYR 35 -8.561 3.799 -2.161 243 HA TYR 35 HA TYR 35 -8.628 0.874 -2.091 244 HB2 TYR 35 HB2 TYR 35 -6.657 1.614 -1.029 245 HB3 TYR 35 HB3 TYR 35 -7.596 2.594 0.093 246 HD1 TYR 35 HD1 TYR 35 -6.811 -1.064 -0.785 247 HD2 TYR 35 HD2 TYR 35 -8.469 1.724 2.020 248 HE1 TYR 35 HE1 TYR 35 -6.802 -2.797 0.913 249 HE2 TYR 35 HE2 TYR 35 -8.668 -0.126 3.710 250 HH TYR 35 HH TYR 35 -7.299 -3.369 3.296 251 H SER 36 H SER 36 -9.908 0.143 -0.049 252 HA SER 36 HA SER 36 -12.379 1.754 0.287 253 HB2 SER 36 HB2 SER 36 -12.727 -0.152 -1.105 254 HB3 SER 36 HB3 SER 36 -11.871 -1.228 0.019 255 HG SER 36 HG SER 36 -14.288 -1.132 -0.082 256 H GLY 37 H GLY 37 -12.602 -0.755 2.376 257 HA2 GLY 37 HA2 GLY 37 -10.961 0.533 4.539 258 HA3 GLY 37 HA3 GLY 37 -12.680 0.231 4.742 259 H CYS 38 H CYS 38 -13.352 -2.139 4.359 260 HA CYS 38 HA CYS 38 -11.431 -3.880 5.765 261 HB2 CYS 38 HB2 CYS 38 -13.508 -5.362 5.900 262 HB3 CYS 38 HB3 CYS 38 -13.400 -3.912 6.870 263 H GLY 39 H GLY 39 -11.547 -6.258 5.126 264 HA2 GLY 39 HA2 GLY 39 -11.454 -7.961 3.540 265 HA3 GLY 39 HA3 GLY 39 -11.811 -6.798 2.258 266 H GLY 40 H GLY 40 -10.127 -5.152 1.798 267 HA2 GLY 40 HA2 GLY 40 -7.888 -6.266 0.740 268 HA3 GLY 40 HA3 GLY 40 -8.019 -4.554 1.172 269 H ASN 41 H ASN 41 -5.908 -6.857 1.291 270 HA ASN 41 HA ASN 41 -5.165 -7.283 3.990 271 HB2 ASN 41 HB2 ASN 41 -3.549 -7.331 1.420 272 HB3 ASN 41 HB3 ASN 41 -3.008 -7.995 2.941 273 HD21 ASN 41 HD21 ASN 41 -5.700 -9.235 3.754 274 HD22 ASN 41 HD22 ASN 41 -5.761 -10.613 2.704 275 H ALA 42 H ALA 42 -2.928 -6.813 4.743 276 HA ALA 42 HA ALA 42 -2.633 -4.213 5.553 277 HB1 ALA 42 HB1 ALA 42 -0.464 -6.319 5.410 278 HB2 ALA 42 HB2 ALA 42 -0.538 -4.938 6.523 279 HB3 ALA 42 HB3 ALA 42 -1.739 -6.234 6.658 280 H ASN 43 H ASN 43 -1.916 -5.050 2.389 281 HA ASN 43 HA ASN 43 0.508 -3.571 1.918 282 HB2 ASN 43 HB2 ASN 43 -0.358 -5.223 0.364 283 HB3 ASN 43 HB3 ASN 43 -1.803 -4.288 0.086 284 HD21 ASN 43 HD21 ASN 43 -0.631 -1.648 -0.568 285 HD22 ASN 43 HD22 ASN 43 -0.011 -2.068 -2.188 286 H ARG 44 H ARG 44 -2.610 -2.562 2.911 287 HA ARG 44 HA ARG 44 -2.687 -0.010 1.700 288 HB2 ARG 44 HB2 ARG 44 -4.572 -1.274 3.049 289 HB3 ARG 44 HB3 ARG 44 -3.718 -0.780 4.508 290 HG2 ARG 44 HG2 ARG 44 -4.008 1.645 3.235 291 HG3 ARG 44 HG3 ARG 44 -5.414 0.775 2.648 292 HD2 ARG 44 HD2 ARG 44 -5.576 0.458 5.388 293 HD3 ARG 44 HD3 ARG 44 -4.897 2.097 5.130 294 HE ARG 44 HE ARG 44 -6.977 1.586 3.285 295 HH11 ARG 44 HH11 ARG 44 -6.603 2.316 6.781 296 HH12 ARG 44 HH12 ARG 44 -8.234 2.870 6.966 297 HH21 ARG 44 HH21 ARG 44 -9.338 2.426 3.685 298 HH22 ARG 44 HH22 ARG 44 -9.587 3.119 5.238 299 H PHE 45 H PHE 45 -1.905 1.906 2.165 300 HA PHE 45 HA PHE 45 -0.452 2.441 4.673 301 HB2 PHE 45 HB2 PHE 45 0.557 2.770 1.824 302 HB3 PHE 45 HB3 PHE 45 1.183 3.764 3.137 303 HD1 PHE 45 HD1 PHE 45 1.869 2.363 5.359 304 HD2 PHE 45 HD2 PHE 45 1.785 0.850 1.307 305 HE1 PHE 45 HE1 PHE 45 3.528 0.657 5.961 306 HE2 PHE 45 HE2 PHE 45 3.521 -0.781 1.894 307 HZ PHE 45 HZ PHE 45 4.417 -0.895 4.221 308 H ARG 46 H ARG 46 -0.100 4.784 4.865 309 HA ARG 46 HA ARG 46 -2.429 6.336 3.817 310 HB2 ARG 46 HB2 ARG 46 -1.947 7.778 5.938 311 HB3 ARG 46 HB3 ARG 46 -2.900 6.317 6.005 312 HG2 ARG 46 HG2 ARG 46 -1.402 6.525 7.913 313 HG3 ARG 46 HG3 ARG 46 -1.128 5.046 7.006 314 HD2 ARG 46 HD2 ARG 46 0.970 5.956 7.756 315 HD3 ARG 46 HD3 ARG 46 0.916 6.065 6.007 316 HE ARG 46 HE ARG 46 0.733 8.406 6.103 317 HH11 ARG 46 HH11 ARG 46 1.048 7.015 9.447 318 HH12 ARG 46 HH12 ARG 46 1.395 8.567 10.096 319 HH21 ARG 46 HH21 ARG 46 0.994 10.458 7.164 320 HH22 ARG 46 HH22 ARG 46 1.466 10.458 8.827 321 H THR 47 H THR 47 1.052 6.202 3.712 322 HA THR 47 HA THR 47 1.044 8.471 2.008 323 HB THR 47 HB THR 47 1.110 9.551 4.283 324 HG1 THR 47 HG1 THR 47 1.883 10.654 2.571 325 HG21 THR 47 HG21 THR 47 3.081 9.395 5.648 326 HG22 THR 47 HG22 THR 47 3.935 8.473 4.409 327 HG23 THR 47 HG23 THR 47 2.639 7.704 5.277 328 H ILE 48 H ILE 48 3.031 8.703 0.901 329 HA ILE 48 HA ILE 48 4.356 6.221 0.396 330 HB ILE 48 HB ILE 48 4.100 7.765 -1.377 331 HG12 ILE 48 HG12 ILE 48 7.051 7.726 -0.603 332 HG13 ILE 48 HG13 ILE 48 6.158 6.392 -1.292 333 HG21 ILE 48 HG21 ILE 48 5.708 9.861 0.144 334 HG22 ILE 48 HG22 ILE 48 5.034 10.022 -1.486 335 HG23 ILE 48 HG23 ILE 48 3.948 9.921 -0.130 336 HD11 ILE 48 HD11 ILE 48 7.310 7.478 -3.111 337 HD12 ILE 48 HD12 ILE 48 5.569 7.759 -3.291 338 HD13 ILE 48 HD13 ILE 48 6.632 9.043 -2.677 339 H ASP 49 H ASP 49 4.974 8.989 2.555 340 HA ASP 49 HA ASP 49 7.733 8.551 3.001 341 HB2 ASP 49 HB2 ASP 49 6.564 10.592 3.624 342 HB3 ASP 49 HB3 ASP 49 5.668 9.727 4.872 343 H GLU 50 H GLU 50 4.869 7.034 4.503 344 HA GLU 50 HA GLU 50 6.474 5.607 6.462 345 HB2 GLU 50 HB2 GLU 50 3.530 5.654 5.678 346 HB3 GLU 50 HB3 GLU 50 4.172 4.484 6.817 347 HG2 GLU 50 HG2 GLU 50 4.391 7.511 7.157 348 HG3 GLU 50 HG3 GLU 50 3.218 6.476 7.963 349 H CYS 51 H CYS 51 4.818 5.006 3.376 350 HA CYS 51 HA CYS 51 5.156 2.196 3.339 351 HB2 CYS 51 HB2 CYS 51 3.565 3.374 1.906 352 HB3 CYS 51 HB3 CYS 51 4.891 4.283 1.155 353 H ASN 52 H ASN 52 7.174 4.877 2.076 354 HA ASN 52 HA ASN 52 9.052 3.073 0.931 355 HB2 ASN 52 HB2 ASN 52 10.207 4.842 0.086 356 HB3 ASN 52 HB3 ASN 52 8.581 5.475 0.183 357 HD21 ASN 52 HD21 ASN 52 8.389 7.436 1.095 358 HD22 ASN 52 HD22 ASN 52 9.662 8.279 1.964 359 H ARG 53 H ARG 53 9.223 5.165 3.839 360 HA ARG 53 HA ARG 53 11.663 4.137 4.670 361 HB2 ARG 53 HB2 ARG 53 11.336 5.083 6.769 362 HB3 ARG 53 HB3 ARG 53 10.281 6.043 5.704 363 HG2 ARG 53 HG2 ARG 53 8.395 4.504 6.432 364 HG3 ARG 53 HG3 ARG 53 9.475 3.859 7.675 365 HD2 ARG 53 HD2 ARG 53 8.519 6.729 7.356 366 HD3 ARG 53 HD3 ARG 53 8.027 5.546 8.588 367 HE ARG 53 HE ARG 53 10.845 5.866 8.689 368 HH11 ARG 53 HH11 ARG 53 7.780 7.447 9.594 369 HH12 ARG 53 HH12 ARG 53 8.551 8.504 10.750 370 HH21 ARG 53 HH21 ARG 53 11.831 7.262 10.136 371 HH22 ARG 53 HH22 ARG 53 10.887 8.257 11.216 372 H THR 54 H THR 54 8.591 2.408 4.977 373 HA THR 54 HA THR 54 9.878 0.415 6.723 374 HB THR 54 HB THR 54 7.637 1.434 7.158 375 HG1 THR 54 HG1 THR 54 8.191 -1.298 7.110 376 HG21 THR 54 HG21 THR 54 5.723 0.782 6.075 377 HG22 THR 54 HG22 THR 54 6.490 -0.647 5.308 378 HG23 THR 54 HG23 THR 54 6.806 0.995 4.711 379 H CYS 55 H CYS 55 9.407 0.760 3.271 380 HA CYS 55 HA CYS 55 10.119 -2.117 3.018 381 HB2 CYS 55 HB2 CYS 55 7.976 -0.799 1.321 382 HB3 CYS 55 HB3 CYS 55 8.540 -2.473 1.264 383 H VAL 56 H VAL 56 10.331 1.110 1.615 384 HA VAL 56 HA VAL 56 11.587 0.182 -0.847 385 HB VAL 56 HB VAL 56 11.269 2.894 0.401 386 HG11 VAL 56 HG11 VAL 56 12.636 2.332 -2.237 387 HG12 VAL 56 HG12 VAL 56 12.128 3.916 -1.641 388 HG13 VAL 56 HG13 VAL 56 13.399 3.024 -0.785 389 HG21 VAL 56 HG21 VAL 56 10.243 1.582 -2.165 390 HG22 VAL 56 HG22 VAL 56 9.282 1.765 -0.691 391 HG23 VAL 56 HG23 VAL 56 9.807 3.191 -1.593 392 H GLY 57 H GLY 57 13.320 -0.918 -0.745 393 HA2 GLY 57 HA2 GLY 57 15.225 -0.980 1.329 394 HA3 GLY 57 HA3 GLY 57 15.388 -1.721 -0.280 Start of MODEL 13 1 H1 ARG 1 H ARG 1 12.959 -6.044 4.020 2 HA ARG 1 HA ARG 1 11.195 -4.452 3.502 3 HB2 ARG 1 HB2 ARG 1 9.936 -4.688 1.422 4 HB3 ARG 1 HB3 ARG 1 11.624 -4.189 1.266 5 HG2 ARG 1 HG2 ARG 1 11.868 -6.916 0.788 6 HG3 ARG 1 HG3 ARG 1 10.252 -6.591 0.211 7 HD2 ARG 1 HD2 ARG 1 11.392 -6.072 -1.669 8 HD3 ARG 1 HD3 ARG 1 11.402 -4.491 -0.948 9 HE ARG 1 HE ARG 1 13.700 -5.059 -0.012 10 HH11 ARG 1 HH11 ARG 1 12.507 -6.434 -3.060 11 HH12 ARG 1 HH12 ARG 1 14.036 -6.228 -3.874 12 HH21 ARG 1 HH21 ARG 1 15.796 -5.355 -0.982 13 HH22 ARG 1 HH22 ARG 1 15.883 -5.663 -2.709 14 HA PRO 2 HA PRO 2 8.968 -7.783 5.519 15 HB2 PRO 2 HB2 PRO 2 6.750 -6.399 6.312 16 HB3 PRO 2 HB3 PRO 2 8.341 -6.207 7.105 17 HG2 PRO 2 HG2 PRO 2 7.091 -4.549 4.944 18 HG3 PRO 2 HG3 PRO 2 7.864 -3.924 6.425 19 HD2 PRO 2 HD2 PRO 2 9.261 -3.949 4.127 20 HD3 PRO 2 HD3 PRO 2 10.040 -4.465 5.649 21 H ARG 3 H ARG 3 7.488 -9.308 4.914 22 HA ARG 3 HA ARG 3 6.331 -9.091 2.355 23 HB2 ARG 3 HB2 ARG 3 5.694 -11.271 2.475 24 HB3 ARG 3 HB3 ARG 3 7.144 -11.181 3.445 25 HG2 ARG 3 HG2 ARG 3 4.266 -11.486 4.363 26 HG3 ARG 3 HG3 ARG 3 5.590 -12.634 4.531 27 HD2 ARG 3 HD2 ARG 3 5.402 -9.972 5.993 28 HD3 ARG 3 HD3 ARG 3 5.023 -11.558 6.675 29 HE ARG 3 HE ARG 3 7.538 -11.944 5.693 30 HH11 ARG 3 HH11 ARG 3 6.189 -9.743 8.153 31 HH12 ARG 3 HH12 ARG 3 7.588 -9.843 9.139 32 HH21 ARG 3 HH21 ARG 3 9.324 -11.977 6.848 33 HH22 ARG 3 HH22 ARG 3 9.499 -11.181 8.374 34 H PHE 4 H PHE 4 5.095 -7.573 5.099 35 HA PHE 4 HA PHE 4 2.265 -8.148 4.532 36 HB2 PHE 4 HB2 PHE 4 1.697 -6.704 6.233 37 HB3 PHE 4 HB3 PHE 4 3.100 -7.548 6.847 38 HD1 PHE 4 HD2 PHE 4 1.925 -4.344 5.270 39 HD2 PHE 4 HD1 PHE 4 4.925 -6.262 7.703 40 HE1 PHE 4 HE2 PHE 4 2.919 -2.137 5.766 41 HE2 PHE 4 HE1 PHE 4 5.945 -4.040 8.180 42 HZ PHE 4 HZ PHE 4 4.965 -1.974 7.194 43 H CYS 5 H CYS 5 4.743 -5.853 3.395 44 HA CYS 5 HA CYS 5 2.604 -4.058 2.430 45 HB2 CYS 5 HB2 CYS 5 4.490 -2.772 1.469 46 HB3 CYS 5 HB3 CYS 5 4.404 -2.925 3.237 47 H GLU 6 H GLU 6 4.071 -6.937 1.230 48 HA GLU 6 HA GLU 6 3.543 -6.106 -1.585 49 HB2 GLU 6 HB2 GLU 6 4.802 -8.140 -2.150 50 HB3 GLU 6 HB3 GLU 6 5.695 -7.077 -1.049 51 HG2 GLU 6 HG2 GLU 6 5.063 -8.451 0.856 52 HG3 GLU 6 HG3 GLU 6 4.133 -9.538 -0.164 53 H LEU 7 H LEU 7 1.314 -6.553 0.327 54 HA LEU 7 HA LEU 7 0.127 -9.119 -0.603 55 HB2 LEU 7 HB2 LEU 7 -0.954 -7.039 1.325 56 HB3 LEU 7 HB3 LEU 7 -1.693 -8.609 0.960 57 HG LEU 7 HG LEU 7 0.938 -8.107 2.379 58 HD11 LEU 7 HD11 LEU 7 -0.168 -9.104 4.297 59 HD12 LEU 7 HD12 LEU 7 -1.612 -9.478 3.330 60 HD13 LEU 7 HD13 LEU 7 -1.182 -7.790 3.680 61 HD21 LEU 7 HD21 LEU 7 1.103 -10.494 2.756 62 HD22 LEU 7 HD22 LEU 7 1.285 -10.093 1.063 63 HD23 LEU 7 HD23 LEU 7 -0.262 -10.775 1.658 64 H ALA 8 H ALA 8 -2.235 -8.991 -1.229 65 HA ALA 8 HA ALA 8 -2.502 -6.951 -3.376 66 HB1 ALA 8 HB1 ALA 8 -4.157 -8.439 -4.315 67 HB2 ALA 8 HB2 ALA 8 -2.577 -9.236 -4.157 68 HB3 ALA 8 HB3 ALA 8 -3.891 -9.599 -2.994 69 HA PRO 9 HA PRO 9 -5.420 -5.482 -0.168 70 HB2 PRO 9 HB2 PRO 9 -5.817 -2.951 -1.095 71 HB3 PRO 9 HB3 PRO 9 -4.312 -3.437 -0.263 72 HG2 PRO 9 HG2 PRO 9 -4.822 -3.279 -3.248 73 HG3 PRO 9 HG3 PRO 9 -3.465 -2.598 -2.340 74 HD2 PRO 9 HD2 PRO 9 -3.292 -4.995 -3.604 75 HD3 PRO 9 HD3 PRO 9 -2.468 -4.711 -2.038 76 H SER 10 H SER 10 -7.266 -6.743 -0.595 77 HA SER 10 HA SER 10 -8.701 -6.507 -3.049 78 HB2 SER 10 HB2 SER 10 -8.642 -8.582 -1.518 79 HB3 SER 10 HB3 SER 10 -9.886 -7.752 -0.579 80 HG SER 10 HG SER 10 -9.964 -8.786 -3.200 81 H ALA 11 H ALA 11 -8.931 -4.238 -3.114 82 HA ALA 11 HA ALA 11 -10.509 -2.731 -1.219 83 HB1 ALA 11 HB1 ALA 11 -8.785 -1.698 -2.674 84 HB2 ALA 11 HB2 ALA 11 -9.732 -2.142 -4.115 85 HB3 ALA 11 HB3 ALA 11 -10.380 -0.964 -2.958 86 H GLY 12 H GLY 12 -11.445 -5.136 -3.334 87 HA2 GLY 12 HA2 GLY 12 -13.957 -3.941 -4.277 88 HA3 GLY 12 HA3 GLY 12 -13.329 -5.557 -4.611 89 H SER 13 H SER 13 -13.013 -5.302 -1.350 90 HA SER 13 HA SER 13 -14.947 -7.157 -0.637 91 HB2 SER 13 HB2 SER 13 -12.931 -6.480 0.654 92 HB3 SER 13 HB3 SER 13 -13.686 -4.927 1.010 93 HG SER 13 HG SER 13 -14.680 -7.478 1.829 94 H CYS 14 H CYS 14 -15.178 -3.557 -0.419 95 HA CYS 14 HA CYS 14 -18.127 -3.710 -0.383 96 HB2 CYS 14 HB2 CYS 14 -16.557 -1.936 1.483 97 HB3 CYS 14 HB3 CYS 14 -18.258 -2.335 1.569 98 H PHE 15 H PHE 15 -19.037 -1.568 -0.925 99 HA PHE 15 HA PHE 15 -17.232 -0.074 -2.774 100 HB2 PHE 15 HB2 PHE 15 -19.332 -0.881 -3.676 101 HB3 PHE 15 HB3 PHE 15 -20.240 -0.051 -2.454 102 HD1 PHE 15 HD1 PHE 15 -19.478 2.767 -2.385 103 HD2 PHE 15 HD2 PHE 15 -19.560 0.075 -5.777 104 HE1 PHE 15 HE1 PHE 15 -19.466 4.650 -3.878 105 HE2 PHE 15 HE2 PHE 15 -19.816 2.003 -7.261 106 HZ PHE 15 HZ PHE 15 -19.705 4.310 -6.349 107 H ALA 16 H ALA 16 -16.122 1.440 -1.762 108 HA ALA 16 HA ALA 16 -17.404 3.549 -0.244 109 HB1 ALA 16 HB1 ALA 16 -15.182 1.831 0.929 110 HB2 ALA 16 HB2 ALA 16 -15.764 3.356 1.632 111 HB3 ALA 16 HB3 ALA 16 -16.838 1.947 1.554 112 H PHE 17 H PHE 17 -15.531 5.260 0.097 113 HA PHE 17 HA PHE 17 -13.460 4.988 -2.039 114 HB2 PHE 17 HB2 PHE 17 -15.554 6.331 -2.640 115 HB3 PHE 17 HB3 PHE 17 -14.924 7.602 -1.631 116 HD1 PHE 17 HD2 PHE 17 -11.950 7.370 -2.325 117 HD2 PHE 17 HD1 PHE 17 -15.465 7.256 -4.806 118 HE1 PHE 17 HE2 PHE 17 -10.617 8.198 -4.231 119 HE2 PHE 17 HE1 PHE 17 -14.131 8.128 -6.701 120 HZ PHE 17 HZ PHE 17 -11.703 8.589 -6.415 121 H VAL 18 H VAL 18 -11.662 4.701 -0.697 122 HA VAL 18 HA VAL 18 -10.899 7.061 0.908 123 HB VAL 18 HB VAL 18 -9.929 5.421 2.599 124 HG11 VAL 18 HG11 VAL 18 -11.961 5.544 3.950 125 HG12 VAL 18 HG12 VAL 18 -11.735 7.035 3.019 126 HG13 VAL 18 HG13 VAL 18 -12.939 5.832 2.497 127 HG21 VAL 18 HG21 VAL 18 -10.428 3.276 1.523 128 HG22 VAL 18 HG22 VAL 18 -11.310 3.414 3.061 129 HG23 VAL 18 HG23 VAL 18 -12.166 3.660 1.523 130 HA PRO 19 HA PRO 19 -7.804 5.820 -2.175 131 HB2 PRO 19 HB2 PRO 19 -6.453 8.201 -2.374 132 HB3 PRO 19 HB3 PRO 19 -7.952 7.839 -3.265 133 HG2 PRO 19 HG2 PRO 19 -7.656 9.349 -0.665 134 HG3 PRO 19 HG3 PRO 19 -8.617 9.800 -2.095 135 HD2 PRO 19 HD2 PRO 19 -9.726 8.601 0.071 136 HD3 PRO 19 HD3 PRO 19 -10.269 8.204 -1.597 137 H SER 20 H SER 20 -6.170 4.634 -1.429 138 HA SER 20 HA SER 20 -4.712 5.602 0.990 139 HB2 SER 20 HB2 SER 20 -5.429 2.735 0.379 140 HB3 SER 20 HB3 SER 20 -4.573 3.360 1.794 141 HG SER 20 HG SER 20 -7.200 4.173 1.041 142 H TYR 21 H TYR 21 -2.479 3.894 0.970 143 HA TYR 21 HA TYR 21 -1.345 4.366 -1.758 144 HB2 TYR 21 HB2 TYR 21 -0.113 4.675 0.951 145 HB3 TYR 21 HB3 TYR 21 0.799 4.211 -0.480 146 HD1 TYR 21 HD1 TYR 21 -1.530 6.928 0.627 147 HD2 TYR 21 HD2 TYR 21 1.993 5.838 -1.637 148 HE1 TYR 21 HE1 TYR 21 -1.123 9.305 0.088 149 HE2 TYR 21 HE2 TYR 21 2.317 8.177 -2.275 150 HH TYR 21 HH TYR 21 1.537 10.334 -2.083 151 H TYR 22 H TYR 22 -0.183 2.902 -2.681 152 HA TYR 22 HA TYR 22 -0.263 0.092 -1.758 153 HB2 TYR 22 HB2 TYR 22 -1.367 1.107 -3.971 154 HB3 TYR 22 HB3 TYR 22 0.270 1.120 -4.573 155 HD1 TYR 22 HD1 TYR 22 1.516 -1.233 -4.720 156 HD2 TYR 22 HD2 TYR 22 -2.734 -0.744 -4.176 157 HE1 TYR 22 HE1 TYR 22 1.212 -3.594 -5.226 158 HE2 TYR 22 HE2 TYR 22 -3.088 -3.035 -4.957 159 HH TYR 22 HH TYR 22 -2.150 -4.992 -5.581 160 H TYR 23 H TYR 23 1.631 -1.129 -2.489 161 HA TYR 23 HA TYR 23 4.233 0.386 -2.510 162 HB2 TYR 23 HB2 TYR 23 3.927 -0.631 -0.338 163 HB3 TYR 23 HB3 TYR 23 3.438 -2.147 -1.069 164 HD1 TYR 23 HD1 TYR 23 6.418 0.186 -1.413 165 HD2 TYR 23 HD2 TYR 23 5.014 -3.862 -1.026 166 HE1 TYR 23 HE1 TYR 23 8.740 -0.606 -1.410 167 HE2 TYR 23 HE2 TYR 23 7.345 -4.652 -0.841 168 HH TYR 23 HH TYR 23 10.111 -2.617 -0.701 169 H ASN 24 H ASN 24 5.433 -0.021 -4.351 170 HA ASN 24 HA ASN 24 4.840 -2.503 -5.890 171 HB2 ASN 24 HB2 ASN 24 5.865 0.131 -6.964 172 HB3 ASN 24 HB3 ASN 24 5.599 -1.342 -7.882 173 HD21 ASN 24 HD21 ASN 24 4.393 1.540 -7.933 174 HD22 ASN 24 HD22 ASN 24 2.681 1.290 -7.934 175 H GLN 25 H GLN 25 6.390 -3.666 -4.614 176 HA GLN 25 HA GLN 25 9.022 -2.807 -4.120 177 HB2 GLN 25 HB2 GLN 25 9.562 -4.939 -3.423 178 HB3 GLN 25 HB3 GLN 25 7.870 -4.762 -3.018 179 HG2 GLN 25 HG2 GLN 25 8.962 -6.399 -5.292 180 HG3 GLN 25 HG3 GLN 25 8.430 -6.999 -3.744 181 HE21 GLN 25 HE21 GLN 25 5.870 -5.190 -3.673 182 HE22 GLN 25 HE22 GLN 25 4.888 -5.895 -4.936 183 H TYR 26 H TYR 26 7.579 -4.313 -6.983 184 HA TYR 26 HA TYR 26 9.840 -5.056 -8.405 185 HB2 TYR 26 HB2 TYR 26 7.427 -3.660 -9.580 186 HB3 TYR 26 HB3 TYR 26 8.489 -4.777 -10.406 187 HD1 TYR 26 HD2 TYR 26 8.527 -7.240 -9.471 188 HD2 TYR 26 HD1 TYR 26 5.391 -4.397 -8.678 189 HE1 TYR 26 HE2 TYR 26 6.958 -9.104 -9.063 190 HE2 TYR 26 HE1 TYR 26 3.847 -6.229 -8.152 191 HH TYR 26 HH TYR 26 4.787 -9.694 -8.531 192 H SER 27 H SER 27 8.381 -1.867 -7.981 193 HA SER 27 HA SER 27 10.442 -0.572 -9.670 194 HB2 SER 27 HB2 SER 27 8.047 -0.238 -10.226 195 HB3 SER 27 HB3 SER 27 7.786 0.464 -8.637 196 HG SER 27 HG SER 27 9.632 1.926 -9.407 197 H ASN 28 H ASN 28 10.292 -1.478 -6.546 198 HA ASN 28 HA ASN 28 10.915 -0.744 -4.548 199 HB2 ASN 28 HB2 ASN 28 13.074 -1.118 -5.650 200 HB3 ASN 28 HB3 ASN 28 13.009 0.441 -6.427 201 HD21 ASN 28 HD21 ASN 28 13.210 -0.924 -3.030 202 HD22 ASN 28 HD22 ASN 28 14.416 0.297 -2.592 203 H THR 29 H THR 29 8.733 0.600 -5.050 204 HA THR 29 HA THR 29 9.163 3.138 -3.763 205 HB THR 29 HB THR 29 9.586 3.689 -6.184 206 HG1 THR 29 HG1 THR 29 8.835 5.270 -4.823 207 HG21 THR 29 HG21 THR 29 7.974 2.112 -7.220 208 HG22 THR 29 HG22 THR 29 7.731 3.789 -7.738 209 HG23 THR 29 HG23 THR 29 6.625 3.071 -6.570 210 H CYS 30 H CYS 30 6.752 4.246 -3.999 211 HA CYS 30 HA CYS 30 4.631 2.260 -3.498 212 HB2 CYS 30 HB2 CYS 30 5.055 4.656 -1.701 213 HB3 CYS 30 HB3 CYS 30 4.013 3.279 -1.444 214 H HIS 31 H HIS 31 2.479 3.342 -3.825 215 HA HIS 31 HA HIS 31 2.541 6.076 -4.882 216 HB2 HIS 31 HB2 HIS 31 3.187 4.360 -6.750 217 HB3 HIS 31 HB3 HIS 31 1.530 3.784 -6.589 218 HD1 HIS 31 HD1 HIS 31 0.117 4.917 -8.539 219 HD2 HIS 31 HD2 HIS 31 3.189 7.273 -6.872 220 HE1 HIS 31 HE1 HIS 31 0.073 7.117 -9.816 221 H SER 32 H SER 32 0.273 6.926 -5.127 222 HA SER 32 HA SER 32 -1.450 5.739 -3.179 223 HB2 SER 32 HB2 SER 32 -3.004 7.518 -3.979 224 HB3 SER 32 HB3 SER 32 -1.446 8.036 -3.297 225 HG SER 32 HG SER 32 -1.867 9.177 -5.157 226 H PHE 33 H PHE 33 -3.485 4.747 -3.474 227 HA PHE 33 HA PHE 33 -4.370 3.960 -6.142 228 HB2 PHE 33 HB2 PHE 33 -4.323 1.686 -5.872 229 HB3 PHE 33 HB3 PHE 33 -2.766 2.169 -5.236 230 HD1 PHE 33 HD2 PHE 33 -2.777 2.554 -2.577 231 HD2 PHE 33 HD1 PHE 33 -5.538 0.063 -4.705 232 HE1 PHE 33 HE2 PHE 33 -3.398 1.374 -0.440 233 HE2 PHE 33 HE1 PHE 33 -6.084 -1.134 -2.650 234 HZ PHE 33 HZ PHE 33 -4.965 -0.493 -0.478 235 H THR 34 H THR 34 -6.536 2.457 -5.526 236 HA THR 34 HA THR 34 -8.123 4.233 -3.701 237 HB THR 34 HB THR 34 -10.083 3.465 -5.024 238 HG1 THR 34 HG1 THR 34 -9.345 2.814 -7.264 239 HG21 THR 34 HG21 THR 34 -8.979 5.673 -5.427 240 HG22 THR 34 HG22 THR 34 -9.759 5.011 -6.863 241 HG23 THR 34 HG23 THR 34 -8.002 4.919 -6.694 242 H TYR 35 H TYR 35 -8.943 3.388 -1.864 243 HA TYR 35 HA TYR 35 -9.024 0.449 -1.680 244 HB2 TYR 35 HB2 TYR 35 -7.094 1.551 -0.489 245 HB3 TYR 35 HB3 TYR 35 -8.277 2.287 0.564 246 HD1 TYR 35 HD1 TYR 35 -7.091 -1.151 -0.586 247 HD2 TYR 35 HD2 TYR 35 -8.816 1.227 2.588 248 HE1 TYR 35 HE1 TYR 35 -6.459 -2.856 1.054 249 HE2 TYR 35 HE2 TYR 35 -8.383 -0.635 4.173 250 HH TYR 35 HH TYR 35 -6.034 -3.172 3.424 251 H SER 36 H SER 36 -10.681 -0.208 0.140 252 HA SER 36 HA SER 36 -12.937 1.726 0.213 253 HB2 SER 36 HB2 SER 36 -14.286 -0.439 0.519 254 HB3 SER 36 HB3 SER 36 -13.643 -0.036 -1.071 255 HG SER 36 HG SER 36 -12.839 -1.875 -1.030 256 H GLY 37 H GLY 37 -10.610 0.320 2.274 257 HA2 GLY 37 HA2 GLY 37 -10.318 0.623 4.551 258 HA3 GLY 37 HA3 GLY 37 -11.896 1.405 4.644 259 H CYS 38 H CYS 38 -13.628 -0.325 3.883 260 HA CYS 38 HA CYS 38 -14.285 -2.034 5.952 261 HB2 CYS 38 HB2 CYS 38 -15.738 -0.952 4.268 262 HB3 CYS 38 HB3 CYS 38 -15.062 -1.994 3.020 263 H GLY 39 H GLY 39 -11.966 -2.785 3.460 264 HA2 GLY 39 HA2 GLY 39 -11.778 -5.524 4.392 265 HA3 GLY 39 HA3 GLY 39 -12.272 -5.353 2.698 266 H GLY 40 H GLY 40 -10.329 -6.317 1.978 267 HA2 GLY 40 HA2 GLY 40 -8.393 -5.966 0.868 268 HA3 GLY 40 HA3 GLY 40 -8.164 -4.397 1.641 269 H ASN 41 H ASN 41 -5.916 -5.309 1.611 270 HA ASN 41 HA ASN 41 -5.339 -6.903 4.063 271 HB2 ASN 41 HB2 ASN 41 -4.114 -7.187 1.282 272 HB3 ASN 41 HB3 ASN 41 -3.317 -7.765 2.727 273 HD21 ASN 41 HD21 ASN 41 -4.445 -9.347 4.137 274 HD22 ASN 41 HD22 ASN 41 -5.591 -10.446 3.399 275 H ALA 42 H ALA 42 -2.984 -6.699 4.657 276 HA ALA 42 HA ALA 42 -2.412 -4.195 5.562 277 HB1 ALA 42 HB1 ALA 42 -1.604 -6.396 6.437 278 HB2 ALA 42 HB2 ALA 42 -0.369 -6.390 5.165 279 HB3 ALA 42 HB3 ALA 42 -0.380 -5.118 6.386 280 H ASN 43 H ASN 43 -1.753 -5.117 2.287 281 HA ASN 43 HA ASN 43 0.648 -3.632 1.819 282 HB2 ASN 43 HB2 ASN 43 -0.073 -5.135 0.183 283 HB3 ASN 43 HB3 ASN 43 -1.697 -4.469 0.094 284 HD21 ASN 43 HD21 ASN 43 -1.880 -2.203 -0.984 285 HD22 ASN 43 HD22 ASN 43 -0.791 -2.168 -2.381 286 H ARG 44 H ARG 44 -2.527 -2.518 2.683 287 HA ARG 44 HA ARG 44 -2.439 0.034 1.379 288 HB2 ARG 44 HB2 ARG 44 -4.481 -1.145 2.389 289 HB3 ARG 44 HB3 ARG 44 -3.802 -0.841 3.990 290 HG2 ARG 44 HG2 ARG 44 -3.774 1.708 3.016 291 HG3 ARG 44 HG3 ARG 44 -5.097 1.040 2.069 292 HD2 ARG 44 HD2 ARG 44 -6.299 0.461 4.132 293 HD3 ARG 44 HD3 ARG 44 -4.938 0.909 5.117 294 HE ARG 44 HE ARG 44 -6.553 2.759 3.444 295 HH11 ARG 44 HH11 ARG 44 -4.221 2.408 6.147 296 HH12 ARG 44 HH12 ARG 44 -4.266 4.087 6.548 297 HH21 ARG 44 HH21 ARG 44 -6.441 4.893 3.802 298 HH22 ARG 44 HH22 ARG 44 -5.400 5.594 4.981 299 H PHE 45 H PHE 45 -1.523 1.852 1.995 300 HA PHE 45 HA PHE 45 -0.286 2.288 4.656 301 HB2 PHE 45 HB2 PHE 45 0.812 2.738 1.843 302 HB3 PHE 45 HB3 PHE 45 1.367 3.713 3.190 303 HD1 PHE 45 HD1 PHE 45 2.439 2.637 5.204 304 HD2 PHE 45 HD2 PHE 45 1.699 0.544 1.498 305 HE1 PHE 45 HE1 PHE 45 4.071 0.927 5.851 306 HE2 PHE 45 HE2 PHE 45 3.399 -1.095 2.089 307 HZ PHE 45 HZ PHE 45 4.633 -0.939 4.276 308 H ARG 46 H ARG 46 0.111 4.689 4.844 309 HA ARG 46 HA ARG 46 -2.198 6.247 3.777 310 HB2 ARG 46 HB2 ARG 46 -1.703 7.682 5.898 311 HB3 ARG 46 HB3 ARG 46 -2.681 6.244 5.955 312 HG2 ARG 46 HG2 ARG 46 -1.203 6.421 7.870 313 HG3 ARG 46 HG3 ARG 46 -0.971 4.938 6.977 314 HD2 ARG 46 HD2 ARG 46 1.147 5.770 7.739 315 HD3 ARG 46 HD3 ARG 46 1.110 5.856 5.989 316 HE ARG 46 HE ARG 46 0.958 8.224 6.057 317 HH11 ARG 46 HH11 ARG 46 1.381 6.849 9.401 318 HH12 ARG 46 HH12 ARG 46 2.039 8.339 9.943 319 HH21 ARG 46 HH21 ARG 46 1.485 10.219 7.063 320 HH22 ARG 46 HH22 ARG 46 2.034 10.211 8.712 321 H THR 47 H THR 47 1.249 6.027 3.664 322 HA THR 47 HA THR 47 1.367 8.276 1.933 323 HB THR 47 HB THR 47 1.444 9.458 4.164 324 HG1 THR 47 HG1 THR 47 2.497 10.696 2.798 325 HG21 THR 47 HG21 THR 47 2.836 7.500 5.232 326 HG22 THR 47 HG22 THR 47 3.331 9.177 5.620 327 HG23 THR 47 HG23 THR 47 4.191 8.212 4.423 328 H ILE 48 H ILE 48 3.378 8.445 0.905 329 HA ILE 48 HA ILE 48 4.717 5.905 0.492 330 HB ILE 48 HB ILE 48 4.345 7.252 -1.388 331 HG12 ILE 48 HG12 ILE 48 7.291 7.493 -0.686 332 HG13 ILE 48 HG13 ILE 48 6.521 6.016 -1.200 333 HG21 ILE 48 HG21 ILE 48 4.107 9.512 -0.375 334 HG22 ILE 48 HG22 ILE 48 5.853 9.548 -0.049 335 HG23 ILE 48 HG23 ILE 48 5.235 9.551 -1.708 336 HD11 ILE 48 HD11 ILE 48 7.552 6.895 -3.133 337 HD12 ILE 48 HD12 ILE 48 5.831 7.246 -3.342 338 HD13 ILE 48 HD13 ILE 48 6.945 8.528 -2.831 339 H ASP 49 H ASP 49 5.210 8.752 2.512 340 HA ASP 49 HA ASP 49 8.005 8.472 2.946 341 HB2 ASP 49 HB2 ASP 49 5.943 9.535 4.886 342 HB3 ASP 49 HB3 ASP 49 7.678 9.834 4.916 343 H GLU 50 H GLU 50 5.194 6.874 4.447 344 HA GLU 50 HA GLU 50 6.724 5.569 6.572 345 HB2 GLU 50 HB2 GLU 50 3.883 5.634 5.533 346 HB3 GLU 50 HB3 GLU 50 4.351 4.243 6.450 347 HG2 GLU 50 HG2 GLU 50 4.790 7.070 7.487 348 HG3 GLU 50 HG3 GLU 50 3.303 6.174 7.726 349 H CYS 51 H CYS 51 5.122 4.748 3.507 350 HA CYS 51 HA CYS 51 5.684 1.997 3.608 351 HB2 CYS 51 HB2 CYS 51 3.988 2.864 2.252 352 HB3 CYS 51 HB3 CYS 51 5.127 3.935 1.394 353 H ASN 52 H ASN 52 7.489 4.659 1.969 354 HA ASN 52 HA ASN 52 9.361 2.823 0.931 355 HB2 ASN 52 HB2 ASN 52 10.368 4.543 -0.150 356 HB3 ASN 52 HB3 ASN 52 8.805 5.263 0.098 357 HD21 ASN 52 HD21 ASN 52 8.656 7.037 1.488 358 HD22 ASN 52 HD22 ASN 52 10.073 7.897 2.071 359 H ARG 53 H ARG 53 9.505 5.033 3.782 360 HA ARG 53 HA ARG 53 12.017 4.087 4.543 361 HB2 ARG 53 HB2 ARG 53 11.818 5.201 6.523 362 HB3 ARG 53 HB3 ARG 53 10.662 6.066 5.488 363 HG2 ARG 53 HG2 ARG 53 8.835 4.679 6.556 364 HG3 ARG 53 HG3 ARG 53 10.028 4.015 7.672 365 HD2 ARG 53 HD2 ARG 53 9.153 6.911 7.362 366 HD3 ARG 53 HD3 ARG 53 8.804 5.850 8.729 367 HE ARG 53 HE ARG 53 11.142 7.440 8.225 368 HH11 ARG 53 HH11 ARG 53 10.360 4.229 9.658 369 HH12 ARG 53 HH12 ARG 53 11.582 4.366 10.858 370 HH21 ARG 53 HH21 ARG 53 12.756 7.534 9.930 371 HH22 ARG 53 HH22 ARG 53 12.953 6.203 11.010 372 H THR 54 H THR 54 8.975 2.340 4.921 373 HA THR 54 HA THR 54 10.314 0.411 6.671 374 HB THR 54 HB THR 54 8.122 1.418 7.242 375 HG1 THR 54 HG1 THR 54 8.353 -1.389 7.093 376 HG21 THR 54 HG21 THR 54 7.063 0.941 4.926 377 HG22 THR 54 HG22 THR 54 6.125 0.613 6.378 378 HG23 THR 54 HG23 THR 54 6.892 -0.719 5.488 379 H CYS 55 H CYS 55 9.558 0.555 3.231 380 HA CYS 55 HA CYS 55 10.315 -2.306 3.044 381 HB2 CYS 55 HB2 CYS 55 8.065 -1.048 1.431 382 HB3 CYS 55 HB3 CYS 55 8.630 -2.726 1.436 383 H VAL 56 H VAL 56 10.832 0.871 1.842 384 HA VAL 56 HA VAL 56 11.853 -0.149 -0.787 385 HB VAL 56 HB VAL 56 11.422 2.622 0.295 386 HG11 VAL 56 HG11 VAL 56 12.148 3.635 -1.697 387 HG12 VAL 56 HG12 VAL 56 13.490 2.680 -1.053 388 HG13 VAL 56 HG13 VAL 56 12.544 2.084 -2.437 389 HG21 VAL 56 HG21 VAL 56 10.289 1.138 -2.129 390 HG22 VAL 56 HG22 VAL 56 9.420 1.376 -0.602 391 HG23 VAL 56 HG23 VAL 56 9.830 2.774 -1.614 392 H GLY 57 H GLY 57 13.631 -1.285 -0.353 393 HA2 GLY 57 HA2 GLY 57 15.513 -0.704 1.748 394 HA3 GLY 57 HA3 GLY 57 15.736 -1.803 0.357 Start of MODEL 14 1 H1 ARG 1 H ARG 1 12.799 -4.774 1.559 2 HA ARG 1 HA ARG 1 10.772 -4.110 2.904 3 HB2 ARG 1 HB2 ARG 1 9.258 -4.476 1.096 4 HB3 ARG 1 HB3 ARG 1 10.830 -4.000 0.522 5 HG2 ARG 1 HG2 ARG 1 10.581 -6.919 0.401 6 HG3 ARG 1 HG3 ARG 1 9.290 -6.094 -0.445 7 HD2 ARG 1 HD2 ARG 1 10.796 -6.233 -2.137 8 HD3 ARG 1 HD3 ARG 1 11.170 -4.622 -1.529 9 HE ARG 1 HE ARG 1 13.219 -5.327 -0.767 10 HH11 ARG 1 HH11 ARG 1 11.289 -8.190 -1.733 11 HH12 ARG 1 HH12 ARG 1 12.705 -9.172 -2.010 12 HH21 ARG 1 HH21 ARG 1 15.019 -6.627 -1.242 13 HH22 ARG 1 HH22 ARG 1 14.864 -8.320 -1.610 14 HA PRO 2 HA PRO 2 9.083 -7.575 5.269 15 HB2 PRO 2 HB2 PRO 2 6.986 -6.334 6.444 16 HB3 PRO 2 HB3 PRO 2 8.659 -5.972 6.921 17 HG2 PRO 2 HG2 PRO 2 6.856 -4.431 5.060 18 HG3 PRO 2 HG3 PRO 2 7.922 -3.775 6.342 19 HD2 PRO 2 HD2 PRO 2 8.601 -3.850 3.669 20 HD3 PRO 2 HD3 PRO 2 9.823 -3.985 4.984 21 H ARG 3 H ARG 3 7.710 -9.116 4.744 22 HA ARG 3 HA ARG 3 6.301 -9.031 2.352 23 HB2 ARG 3 HB2 ARG 3 5.909 -11.199 2.580 24 HB3 ARG 3 HB3 ARG 3 7.142 -11.053 3.816 25 HG2 ARG 3 HG2 ARG 3 4.135 -11.203 4.209 26 HG3 ARG 3 HG3 ARG 3 5.315 -12.460 4.482 27 HD2 ARG 3 HD2 ARG 3 5.166 -9.911 6.114 28 HD3 ARG 3 HD3 ARG 3 4.461 -11.454 6.579 29 HE ARG 3 HE ARG 3 7.179 -10.613 6.815 30 HH11 ARG 3 HH11 ARG 3 5.184 -13.573 6.362 31 HH12 ARG 3 HH12 ARG 3 6.350 -14.608 7.111 32 HH21 ARG 3 HH21 ARG 3 8.714 -12.084 7.800 33 HH22 ARG 3 HH22 ARG 3 8.265 -13.750 7.953 34 H PHE 4 H PHE 4 5.057 -7.704 5.307 35 HA PHE 4 HA PHE 4 2.285 -8.190 4.529 36 HB2 PHE 4 HB2 PHE 4 1.639 -6.862 6.330 37 HB3 PHE 4 HB3 PHE 4 3.045 -7.749 6.890 38 HD1 PHE 4 HD2 PHE 4 1.841 -4.460 5.601 39 HD2 PHE 4 HD1 PHE 4 4.990 -6.538 7.694 40 HE1 PHE 4 HE2 PHE 4 2.817 -2.302 6.268 41 HE2 PHE 4 HE1 PHE 4 6.037 -4.359 8.266 42 HZ PHE 4 HZ PHE 4 4.960 -2.234 7.566 43 H CYS 5 H CYS 5 4.751 -5.855 3.596 44 HA CYS 5 HA CYS 5 2.956 -3.813 2.688 45 HB2 CYS 5 HB2 CYS 5 5.312 -3.736 3.645 46 HB3 CYS 5 HB3 CYS 5 5.889 -4.290 2.080 47 H GLU 6 H GLU 6 3.993 -6.840 1.334 48 HA GLU 6 HA GLU 6 3.463 -5.890 -1.451 49 HB2 GLU 6 HB2 GLU 6 4.883 -7.566 -2.263 50 HB3 GLU 6 HB3 GLU 6 5.682 -6.770 -0.924 51 HG2 GLU 6 HG2 GLU 6 4.527 -8.836 0.415 52 HG3 GLU 6 HG3 GLU 6 4.633 -9.583 -1.158 53 H LEU 7 H LEU 7 1.369 -6.590 0.556 54 HA LEU 7 HA LEU 7 0.242 -9.104 -0.487 55 HB2 LEU 7 HB2 LEU 7 -0.927 -7.094 1.465 56 HB3 LEU 7 HB3 LEU 7 -1.583 -8.690 1.059 57 HG LEU 7 HG LEU 7 1.057 -8.140 2.456 58 HD11 LEU 7 HD11 LEU 7 -1.061 -7.760 3.745 59 HD12 LEU 7 HD12 LEU 7 -0.042 -9.038 4.421 60 HD13 LEU 7 HD13 LEU 7 -1.489 -9.456 3.478 61 HD21 LEU 7 HD21 LEU 7 -0.228 -10.831 1.911 62 HD22 LEU 7 HD22 LEU 7 1.243 -10.522 2.843 63 HD23 LEU 7 HD23 LEU 7 1.256 -10.200 1.125 64 H ALA 8 H ALA 8 -2.232 -8.877 -1.047 65 HA ALA 8 HA ALA 8 -2.350 -6.981 -3.339 66 HB1 ALA 8 HB1 ALA 8 -2.578 -9.312 -3.957 67 HB2 ALA 8 HB2 ALA 8 -3.894 -9.520 -2.767 68 HB3 ALA 8 HB3 ALA 8 -4.117 -8.466 -4.166 69 HA PRO 9 HA PRO 9 -5.208 -5.064 -0.461 70 HB2 PRO 9 HB2 PRO 9 -5.803 -2.759 -1.782 71 HB3 PRO 9 HB3 PRO 9 -4.267 -3.032 -0.931 72 HG2 PRO 9 HG2 PRO 9 -4.818 -3.287 -3.899 73 HG3 PRO 9 HG3 PRO 9 -3.412 -2.543 -3.085 74 HD2 PRO 9 HD2 PRO 9 -3.429 -5.117 -4.102 75 HD3 PRO 9 HD3 PRO 9 -2.405 -4.620 -2.726 76 H SER 10 H SER 10 -7.127 -6.319 -0.546 77 HA SER 10 HA SER 10 -8.772 -6.643 -2.886 78 HB2 SER 10 HB2 SER 10 -8.488 -8.274 -0.931 79 HB3 SER 10 HB3 SER 10 -9.558 -7.211 -0.016 80 HG SER 10 HG SER 10 -10.169 -8.582 -2.457 81 H ALA 11 H ALA 11 -8.900 -4.368 -3.414 82 HA ALA 11 HA ALA 11 -10.248 -2.419 -1.778 83 HB1 ALA 11 HB1 ALA 11 -9.670 -2.453 -4.774 84 HB2 ALA 11 HB2 ALA 11 -10.109 -1.029 -3.810 85 HB3 ALA 11 HB3 ALA 11 -8.566 -1.851 -3.514 86 H GLY 12 H GLY 12 -11.533 -5.061 -3.491 87 HA2 GLY 12 HA2 GLY 12 -14.061 -3.679 -4.213 88 HA3 GLY 12 HA3 GLY 12 -13.558 -5.292 -4.685 89 H SER 13 H SER 13 -13.011 -5.324 -1.348 90 HA SER 13 HA SER 13 -15.106 -7.065 -0.864 91 HB2 SER 13 HB2 SER 13 -13.760 -5.345 1.216 92 HB3 SER 13 HB3 SER 13 -14.512 -6.934 1.450 93 HG SER 13 HG SER 13 -12.415 -7.441 1.172 94 H CYS 14 H CYS 14 -15.080 -3.537 0.036 95 HA CYS 14 HA CYS 14 -18.041 -3.632 0.151 96 HB2 CYS 14 HB2 CYS 14 -16.302 -2.076 2.109 97 HB3 CYS 14 HB3 CYS 14 -18.051 -2.083 1.995 98 H PHE 15 H PHE 15 -18.962 -1.597 -0.461 99 HA PHE 15 HA PHE 15 -17.221 -0.180 -2.373 100 HB2 PHE 15 HB2 PHE 15 -19.524 -0.986 -2.929 101 HB3 PHE 15 HB3 PHE 15 -20.165 0.126 -1.736 102 HD1 PHE 15 HD1 PHE 15 -19.330 2.764 -2.118 103 HD2 PHE 15 HD2 PHE 15 -19.523 -0.328 -5.141 104 HE1 PHE 15 HE1 PHE 15 -19.319 4.463 -3.868 105 HE2 PHE 15 HE2 PHE 15 -19.703 1.413 -6.888 106 HZ PHE 15 HZ PHE 15 -19.575 3.810 -6.260 107 H ALA 16 H ALA 16 -15.962 1.291 -1.493 108 HA ALA 16 HA ALA 16 -16.997 3.530 0.039 109 HB1 ALA 16 HB1 ALA 16 -16.296 2.327 1.941 110 HB2 ALA 16 HB2 ALA 16 -15.009 1.481 1.068 111 HB3 ALA 16 HB3 ALA 16 -14.828 3.193 1.487 112 H PHE 17 H PHE 17 -15.300 5.236 -0.018 113 HA PHE 17 HA PHE 17 -13.291 4.832 -2.171 114 HB2 PHE 17 HB2 PHE 17 -15.515 5.909 -2.812 115 HB3 PHE 17 HB3 PHE 17 -15.038 7.297 -1.860 116 HD1 PHE 17 HD2 PHE 17 -12.077 5.983 -3.533 117 HD2 PHE 17 HD1 PHE 17 -15.744 8.173 -4.205 118 HE1 PHE 17 HE2 PHE 17 -11.156 6.878 -5.586 119 HE2 PHE 17 HE1 PHE 17 -14.797 9.086 -6.291 120 HZ PHE 17 HZ PHE 17 -12.489 8.476 -6.995 121 H VAL 18 H VAL 18 -11.455 4.767 -0.856 122 HA VAL 18 HA VAL 18 -10.806 7.299 0.522 123 HB VAL 18 HB VAL 18 -9.715 5.881 2.347 124 HG11 VAL 18 HG11 VAL 18 -11.720 5.944 3.715 125 HG12 VAL 18 HG12 VAL 18 -11.677 7.371 2.677 126 HG13 VAL 18 HG13 VAL 18 -12.755 6.019 2.280 127 HG21 VAL 18 HG21 VAL 18 -11.829 3.868 1.451 128 HG22 VAL 18 HG22 VAL 18 -10.074 3.619 1.377 129 HG23 VAL 18 HG23 VAL 18 -10.874 3.786 2.949 130 HA PRO 19 HA PRO 19 -7.433 6.218 -2.274 131 HB2 PRO 19 HB2 PRO 19 -5.975 8.569 -2.093 132 HB3 PRO 19 HB3 PRO 19 -7.347 8.306 -3.193 133 HG2 PRO 19 HG2 PRO 19 -7.288 9.744 -0.556 134 HG3 PRO 19 HG3 PRO 19 -8.241 10.120 -2.017 135 HD2 PRO 19 HD2 PRO 19 -9.251 8.826 0.235 136 HD3 PRO 19 HD3 PRO 19 -9.943 8.636 -1.397 137 H SER 20 H SER 20 -5.867 4.876 -1.520 138 HA SER 20 HA SER 20 -4.356 5.654 0.925 139 HB2 SER 20 HB2 SER 20 -5.278 2.944 0.120 140 HB3 SER 20 HB3 SER 20 -4.314 3.328 1.573 141 HG SER 20 HG SER 20 -6.820 4.528 1.036 142 H TYR 21 H TYR 21 -2.271 3.752 0.800 143 HA TYR 21 HA TYR 21 -1.030 4.390 -1.852 144 HB2 TYR 21 HB2 TYR 21 0.044 4.538 0.900 145 HB3 TYR 21 HB3 TYR 21 1.118 3.955 -0.361 146 HD1 TYR 21 HD1 TYR 21 -0.979 6.806 0.732 147 HD2 TYR 21 HD2 TYR 21 2.060 5.513 -2.083 148 HE1 TYR 21 HE1 TYR 21 -0.604 9.140 0.055 149 HE2 TYR 21 HE2 TYR 21 2.355 7.812 -2.812 150 HH TYR 21 HH TYR 21 1.832 10.047 -2.431 151 H TYR 22 H TYR 22 -0.062 2.928 -2.957 152 HA TYR 22 HA TYR 22 -0.254 0.069 -2.194 153 HB2 TYR 22 HB2 TYR 22 -1.566 1.028 -4.242 154 HB3 TYR 22 HB3 TYR 22 -0.023 1.296 -4.984 155 HD1 TYR 22 HD1 TYR 22 1.615 -0.925 -4.934 156 HD2 TYR 22 HD2 TYR 22 -2.693 -0.865 -4.924 157 HE1 TYR 22 HE1 TYR 22 1.646 -3.231 -5.688 158 HE2 TYR 22 HE2 TYR 22 -2.696 -3.197 -5.835 159 HH TYR 22 HH TYR 22 0.248 -4.844 -6.878 160 H TYR 23 H TYR 23 1.660 -0.905 -1.987 161 HA TYR 23 HA TYR 23 4.174 0.542 -2.672 162 HB2 TYR 23 HB2 TYR 23 4.038 -0.394 -0.456 163 HB3 TYR 23 HB3 TYR 23 3.585 -1.963 -1.124 164 HD1 TYR 23 HD1 TYR 23 6.413 0.542 -1.316 165 HD2 TYR 23 HD2 TYR 23 5.201 -3.601 -1.274 166 HE1 TYR 23 HE1 TYR 23 8.765 -0.162 -1.262 167 HE2 TYR 23 HE2 TYR 23 7.559 -4.288 -1.082 168 HH TYR 23 HH TYR 23 9.798 -3.507 -0.978 169 H ASN 24 H ASN 24 5.460 0.017 -4.392 170 HA ASN 24 HA ASN 24 4.943 -2.584 -5.801 171 HB2 ASN 24 HB2 ASN 24 5.769 0.051 -7.068 172 HB3 ASN 24 HB3 ASN 24 5.801 -1.511 -7.856 173 HD21 ASN 24 HD21 ASN 24 4.038 -1.949 -9.121 174 HD22 ASN 24 HD22 ASN 24 2.431 -1.348 -8.851 175 H GLN 25 H GLN 25 6.491 -3.790 -4.858 176 HA GLN 25 HA GLN 25 9.080 -2.854 -4.136 177 HB2 GLN 25 HB2 GLN 25 9.717 -5.051 -3.683 178 HB3 GLN 25 HB3 GLN 25 8.076 -4.884 -3.115 179 HG2 GLN 25 HG2 GLN 25 8.922 -6.332 -5.656 180 HG3 GLN 25 HG3 GLN 25 8.631 -7.080 -4.106 181 HE21 GLN 25 HE21 GLN 25 6.088 -5.065 -3.775 182 HE22 GLN 25 HE22 GLN 25 4.954 -5.814 -4.831 183 H TYR 26 H TYR 26 7.824 -4.310 -7.151 184 HA TYR 26 HA TYR 26 10.236 -4.852 -8.445 185 HB2 TYR 26 HB2 TYR 26 7.831 -3.589 -9.784 186 HB3 TYR 26 HB3 TYR 26 8.989 -4.693 -10.496 187 HD1 TYR 26 HD2 TYR 26 9.041 -7.132 -9.199 188 HD2 TYR 26 HD1 TYR 26 5.710 -4.385 -9.314 189 HE1 TYR 26 HE2 TYR 26 7.454 -9.020 -8.909 190 HE2 TYR 26 HE1 TYR 26 4.151 -6.243 -8.993 191 HH TYR 26 HH TYR 26 5.230 -9.658 -8.723 192 H SER 27 H SER 27 8.474 -1.778 -8.078 193 HA SER 27 HA SER 27 10.564 -0.314 -9.572 194 HB2 SER 27 HB2 SER 27 8.156 -0.084 -10.148 195 HB3 SER 27 HB3 SER 27 7.868 0.644 -8.557 196 HG SER 27 HG SER 27 8.357 2.020 -10.546 197 H ASN 28 H ASN 28 10.246 -1.329 -6.451 198 HA ASN 28 HA ASN 28 10.862 -0.677 -4.446 199 HB2 ASN 28 HB2 ASN 28 12.981 -1.002 -5.723 200 HB3 ASN 28 HB3 ASN 28 13.009 0.715 -6.118 201 HD21 ASN 28 HD21 ASN 28 12.939 -1.476 -3.187 202 HD22 ASN 28 HD22 ASN 28 14.031 -0.418 -2.313 203 H THR 29 H THR 29 8.705 0.835 -5.264 204 HA THR 29 HA THR 29 9.084 3.215 -3.690 205 HB THR 29 HB THR 29 9.788 3.908 -6.035 206 HG1 THR 29 HG1 THR 29 8.546 5.859 -5.860 207 HG21 THR 29 HG21 THR 29 8.068 2.662 -7.318 208 HG22 THR 29 HG22 THR 29 8.035 4.401 -7.662 209 HG23 THR 29 HG23 THR 29 6.800 3.700 -6.623 210 H CYS 30 H CYS 30 6.778 4.523 -3.925 211 HA CYS 30 HA CYS 30 4.597 2.526 -3.636 212 HB2 CYS 30 HB2 CYS 30 5.886 3.725 -1.514 213 HB3 CYS 30 HB3 CYS 30 4.639 4.913 -1.890 214 H HIS 31 H HIS 31 2.535 3.344 -4.314 215 HA HIS 31 HA HIS 31 2.467 6.114 -5.326 216 HB2 HIS 31 HB2 HIS 31 3.142 4.295 -7.073 217 HB3 HIS 31 HB3 HIS 31 1.479 3.723 -6.942 218 HD1 HIS 31 HD1 HIS 31 -0.047 4.956 -8.747 219 HD2 HIS 31 HD2 HIS 31 3.241 7.147 -7.306 220 HE1 HIS 31 HE1 HIS 31 -0.118 7.198 -9.962 221 H SER 32 H SER 32 0.302 7.046 -5.247 222 HA SER 32 HA SER 32 -1.356 5.703 -3.330 223 HB2 SER 32 HB2 SER 32 -2.882 7.641 -3.842 224 HB3 SER 32 HB3 SER 32 -1.331 7.958 -3.061 225 HG SER 32 HG SER 32 -1.765 9.416 -4.756 226 H PHE 33 H PHE 33 -3.281 4.679 -3.559 227 HA PHE 33 HA PHE 33 -4.455 4.306 -6.231 228 HB2 PHE 33 HB2 PHE 33 -4.415 2.017 -6.187 229 HB3 PHE 33 HB3 PHE 33 -2.798 2.420 -5.594 230 HD1 PHE 33 HD2 PHE 33 -2.699 2.637 -2.907 231 HD2 PHE 33 HD1 PHE 33 -5.624 0.354 -5.087 232 HE1 PHE 33 HE2 PHE 33 -3.151 1.281 -0.908 233 HE2 PHE 33 HE1 PHE 33 -6.095 -0.972 -3.092 234 HZ PHE 33 HZ PHE 33 -4.770 -0.518 -0.959 235 H THR 34 H THR 34 -6.626 2.840 -5.696 236 HA THR 34 HA THR 34 -8.041 4.453 -3.619 237 HB THR 34 HB THR 34 -10.111 3.691 -4.756 238 HG1 THR 34 HG1 THR 34 -9.957 2.196 -6.142 239 HG21 THR 34 HG21 THR 34 -8.150 5.076 -6.632 240 HG22 THR 34 HG22 THR 34 -9.013 5.875 -5.293 241 HG23 THR 34 HG23 THR 34 -9.914 5.181 -6.660 242 H TYR 35 H TYR 35 -8.766 3.560 -1.743 243 HA TYR 35 HA TYR 35 -8.636 0.620 -1.560 244 HB2 TYR 35 HB2 TYR 35 -6.943 1.766 -0.298 245 HB3 TYR 35 HB3 TYR 35 -8.185 2.577 0.649 246 HD1 TYR 35 HD1 TYR 35 -6.592 -0.781 -0.064 247 HD2 TYR 35 HD2 TYR 35 -9.226 1.463 2.542 248 HE1 TYR 35 HE1 TYR 35 -6.177 -2.375 1.721 249 HE2 TYR 35 HE2 TYR 35 -8.974 -0.317 4.258 250 HH TYR 35 HH TYR 35 -8.247 -2.872 4.208 251 H SER 36 H SER 36 -10.200 -0.272 0.225 252 HA SER 36 HA SER 36 -12.854 0.962 -0.038 253 HB2 SER 36 HB2 SER 36 -13.520 -1.381 0.775 254 HB3 SER 36 HB3 SER 36 -12.812 -1.238 -0.832 255 HG SER 36 HG SER 36 -11.686 -2.888 0.084 256 H GLY 37 H GLY 37 -11.407 -1.046 2.584 257 HA2 GLY 37 HA2 GLY 37 -11.002 0.523 4.703 258 HA3 GLY 37 HA3 GLY 37 -12.760 0.689 4.587 259 H CYS 38 H CYS 38 -14.030 -1.386 4.410 260 HA CYS 38 HA CYS 38 -13.515 -3.059 6.609 261 HB2 CYS 38 HB2 CYS 38 -15.375 -4.273 5.972 262 HB3 CYS 38 HB3 CYS 38 -15.705 -2.691 5.290 263 H GLY 39 H GLY 39 -12.671 -3.374 3.249 264 HA2 GLY 39 HA2 GLY 39 -11.352 -6.006 3.620 265 HA3 GLY 39 HA3 GLY 39 -11.913 -5.318 2.085 266 H GLY 40 H GLY 40 -9.684 -6.053 1.652 267 HA2 GLY 40 HA2 GLY 40 -7.823 -4.964 0.653 268 HA3 GLY 40 HA3 GLY 40 -7.917 -3.710 1.859 269 H ASN 41 H ASN 41 -5.503 -5.155 1.343 270 HA ASN 41 HA ASN 41 -5.264 -6.955 3.715 271 HB2 ASN 41 HB2 ASN 41 -3.810 -6.760 1.055 272 HB3 ASN 41 HB3 ASN 41 -3.051 -7.474 2.449 273 HD21 ASN 41 HD21 ASN 41 -6.595 -8.116 2.210 274 HD22 ASN 41 HD22 ASN 41 -6.322 -9.754 1.717 275 H ALA 42 H ALA 42 -2.993 -6.882 4.610 276 HA ALA 42 HA ALA 42 -2.535 -4.443 5.874 277 HB1 ALA 42 HB1 ALA 42 -1.736 -6.764 6.582 278 HB2 ALA 42 HB2 ALA 42 -0.398 -6.553 5.407 279 HB3 ALA 42 HB3 ALA 42 -0.562 -5.445 6.766 280 H ASN 43 H ASN 43 -1.766 -5.044 2.514 281 HA ASN 43 HA ASN 43 0.717 -3.557 2.556 282 HB2 ASN 43 HB2 ASN 43 0.733 -3.703 0.237 283 HB3 ASN 43 HB3 ASN 43 0.022 -5.213 0.764 284 HD21 ASN 43 HD21 ASN 43 -0.358 -2.411 -1.171 285 HD22 ASN 43 HD22 ASN 43 -1.959 -2.778 -1.745 286 H ARG 44 H ARG 44 -2.345 -2.446 3.351 287 HA ARG 44 HA ARG 44 -2.408 -0.019 1.828 288 HB2 ARG 44 HB2 ARG 44 -4.421 -0.899 2.861 289 HB3 ARG 44 HB3 ARG 44 -3.669 -1.044 4.436 290 HG2 ARG 44 HG2 ARG 44 -3.683 1.271 4.866 291 HG3 ARG 44 HG3 ARG 44 -3.813 1.695 3.174 292 HD2 ARG 44 HD2 ARG 44 -6.086 0.696 3.130 293 HD3 ARG 44 HD3 ARG 44 -6.024 0.546 4.894 294 HE ARG 44 HE ARG 44 -6.187 2.932 3.179 295 HH11 ARG 44 HH11 ARG 44 -5.322 1.722 6.434 296 HH12 ARG 44 HH12 ARG 44 -5.534 3.254 7.211 297 HH21 ARG 44 HH21 ARG 44 -6.281 5.095 4.363 298 HH22 ARG 44 HH22 ARG 44 -6.200 5.051 6.093 299 H PHE 45 H PHE 45 -1.491 1.877 2.215 300 HA PHE 45 HA PHE 45 -0.326 2.530 4.847 301 HB2 PHE 45 HB2 PHE 45 1.090 2.517 2.196 302 HB3 PHE 45 HB3 PHE 45 1.432 3.841 3.296 303 HD1 PHE 45 HD1 PHE 45 2.301 3.448 5.609 304 HD2 PHE 45 HD2 PHE 45 1.799 0.233 2.782 305 HE1 PHE 45 HE1 PHE 45 3.606 1.936 7.082 306 HE2 PHE 45 HE2 PHE 45 3.185 -1.234 4.194 307 HZ PHE 45 HZ PHE 45 4.052 -0.381 6.388 308 H ARG 46 H ARG 46 0.057 4.867 5.008 309 HA ARG 46 HA ARG 46 -2.247 6.389 3.896 310 HB2 ARG 46 HB2 ARG 46 -1.619 7.954 5.912 311 HB3 ARG 46 HB3 ARG 46 -2.611 6.529 6.103 312 HG2 ARG 46 HG2 ARG 46 -1.030 6.819 7.950 313 HG3 ARG 46 HG3 ARG 46 -0.868 5.275 7.134 314 HD2 ARG 46 HD2 ARG 46 1.309 6.037 7.691 315 HD3 ARG 46 HD3 ARG 46 1.170 6.141 5.953 316 HE ARG 46 HE ARG 46 1.058 8.516 6.048 317 HH11 ARG 46 HH11 ARG 46 1.825 7.031 9.241 318 HH12 ARG 46 HH12 ARG 46 2.565 8.472 9.820 319 HH21 ARG 46 HH21 ARG 46 1.903 10.451 7.009 320 HH22 ARG 46 HH22 ARG 46 2.883 10.305 8.440 321 H THR 47 H THR 47 1.251 6.227 3.727 322 HA THR 47 HA THR 47 1.180 8.365 1.899 323 HB THR 47 HB THR 47 1.346 9.652 4.063 324 HG1 THR 47 HG1 THR 47 2.200 10.839 2.502 325 HG21 THR 47 HG21 THR 47 4.202 8.650 4.175 326 HG22 THR 47 HG22 THR 47 2.976 7.843 5.115 327 HG23 THR 47 HG23 THR 47 3.341 9.586 5.370 328 H ILE 48 H ILE 48 3.160 8.552 0.744 329 HA ILE 48 HA ILE 48 4.486 6.062 0.270 330 HB ILE 48 HB ILE 48 4.216 7.610 -1.485 331 HG12 ILE 48 HG12 ILE 48 7.178 7.560 -0.797 332 HG13 ILE 48 HG13 ILE 48 6.284 6.237 -1.491 333 HG21 ILE 48 HG21 ILE 48 4.110 9.798 -0.310 334 HG22 ILE 48 HG22 ILE 48 5.832 9.674 0.103 335 HG23 ILE 48 HG23 ILE 48 5.354 9.892 -1.553 336 HD11 ILE 48 HD11 ILE 48 6.856 8.908 -2.820 337 HD12 ILE 48 HD12 ILE 48 7.381 7.308 -3.330 338 HD13 ILE 48 HD13 ILE 48 5.674 7.748 -3.457 339 H ASP 49 H ASP 49 5.133 8.910 2.284 340 HA ASP 49 HA ASP 49 7.885 8.490 2.688 341 HB2 ASP 49 HB2 ASP 49 5.922 10.351 3.495 342 HB3 ASP 49 HB3 ASP 49 6.542 9.658 4.986 343 H GLU 50 H GLU 50 5.096 7.075 4.321 344 HA GLU 50 HA GLU 50 6.787 5.823 6.351 345 HB2 GLU 50 HB2 GLU 50 4.420 6.673 6.757 346 HB3 GLU 50 HB3 GLU 50 3.864 5.317 5.778 347 HG2 GLU 50 HG2 GLU 50 3.745 4.701 8.129 348 HG3 GLU 50 HG3 GLU 50 5.029 3.748 7.379 349 H CYS 51 H CYS 51 4.918 5.004 3.383 350 HA CYS 51 HA CYS 51 5.284 2.229 3.473 351 HB2 CYS 51 HB2 CYS 51 3.668 3.259 2.036 352 HB3 CYS 51 HB3 CYS 51 4.916 4.248 1.252 353 H ASN 52 H ASN 52 7.355 4.823 2.078 354 HA ASN 52 HA ASN 52 9.182 2.923 0.967 355 HB2 ASN 52 HB2 ASN 52 10.335 4.609 -0.010 356 HB3 ASN 52 HB3 ASN 52 8.711 5.273 0.060 357 HD21 ASN 52 HD21 ASN 52 8.632 7.387 0.768 358 HD22 ASN 52 HD22 ASN 52 9.955 8.171 1.624 359 H ARG 53 H ARG 53 9.451 5.202 3.703 360 HA ARG 53 HA ARG 53 11.879 4.206 4.619 361 HB2 ARG 53 HB2 ARG 53 11.620 5.438 6.552 362 HB3 ARG 53 HB3 ARG 53 10.584 6.260 5.367 363 HG2 ARG 53 HG2 ARG 53 8.647 4.982 6.327 364 HG3 ARG 53 HG3 ARG 53 9.677 4.449 7.645 365 HD2 ARG 53 HD2 ARG 53 9.322 7.395 6.915 366 HD3 ARG 53 HD3 ARG 53 8.247 6.589 8.042 367 HE ARG 53 HE ARG 53 10.956 7.472 8.463 368 HH11 ARG 53 HH11 ARG 53 8.353 5.331 9.665 369 HH12 ARG 53 HH12 ARG 53 9.054 5.105 11.232 370 HH21 ARG 53 HH21 ARG 53 11.955 7.091 10.579 371 HH22 ARG 53 HH22 ARG 53 11.222 5.987 11.686 372 H THR 54 H THR 54 8.763 2.573 5.014 373 HA THR 54 HA THR 54 10.030 0.660 6.867 374 HB THR 54 HB THR 54 7.790 1.754 7.325 375 HG1 THR 54 HG1 THR 54 8.151 -1.047 7.340 376 HG21 THR 54 HG21 THR 54 6.585 -0.531 5.755 377 HG22 THR 54 HG22 THR 54 6.954 0.973 4.895 378 HG23 THR 54 HG23 THR 54 5.890 1.032 6.294 379 H CYS 55 H CYS 55 9.413 0.819 3.419 380 HA CYS 55 HA CYS 55 9.769 -2.141 3.346 381 HB2 CYS 55 HB2 CYS 55 8.062 -0.611 1.385 382 HB3 CYS 55 HB3 CYS 55 8.225 -2.356 1.571 383 H VAL 56 H VAL 56 10.099 0.804 1.317 384 HA VAL 56 HA VAL 56 11.529 -0.324 -0.781 385 HB VAL 56 HB VAL 56 11.510 2.416 0.488 386 HG11 VAL 56 HG11 VAL 56 12.665 3.437 -1.241 387 HG12 VAL 56 HG12 VAL 56 13.727 2.128 -0.750 388 HG13 VAL 56 HG13 VAL 56 12.731 1.956 -2.220 389 HG21 VAL 56 HG21 VAL 56 9.449 1.728 -0.660 390 HG22 VAL 56 HG22 VAL 56 10.253 2.969 -1.611 391 HG23 VAL 56 HG23 VAL 56 10.375 1.274 -2.096 392 H GLY 57 H GLY 57 13.103 -1.765 -0.549 393 HA2 GLY 57 HA2 GLY 57 15.679 -1.549 -0.300 394 HA3 GLY 57 HA3 GLY 57 15.279 -1.455 1.417 Start of MODEL 15 1 H1 ARG 1 H ARG 1 12.834 -4.996 2.507 2 HA ARG 1 HA ARG 1 10.654 -4.220 3.106 3 HB2 ARG 1 HB2 ARG 1 9.392 -4.537 1.029 4 HB3 ARG 1 HB3 ARG 1 11.014 -3.951 0.825 5 HG2 ARG 1 HG2 ARG 1 10.921 -6.883 0.451 6 HG3 ARG 1 HG3 ARG 1 9.796 -6.032 -0.570 7 HD2 ARG 1 HD2 ARG 1 11.657 -5.971 -1.932 8 HD3 ARG 1 HD3 ARG 1 11.790 -4.421 -1.139 9 HE ARG 1 HE ARG 1 13.686 -5.070 -0.013 10 HH11 ARG 1 HH11 ARG 1 12.368 -7.876 -1.714 11 HH12 ARG 1 HH12 ARG 1 13.900 -8.705 -1.820 12 HH21 ARG 1 HH21 ARG 1 15.543 -6.085 0.030 13 HH22 ARG 1 HH22 ARG 1 15.866 -7.564 -0.845 14 HA PRO 2 HA PRO 2 8.635 -7.587 5.194 15 HB2 PRO 2 HB2 PRO 2 6.572 -6.238 6.327 16 HB3 PRO 2 HB3 PRO 2 8.252 -6.073 6.899 17 HG2 PRO 2 HG2 PRO 2 6.757 -4.252 4.999 18 HG3 PRO 2 HG3 PRO 2 7.748 -3.800 6.428 19 HD2 PRO 2 HD2 PRO 2 8.735 -3.752 3.888 20 HD3 PRO 2 HD3 PRO 2 9.761 -4.210 5.281 21 H ARG 3 H ARG 3 6.804 -8.877 4.956 22 HA ARG 3 HA ARG 3 5.703 -8.962 2.348 23 HB2 ARG 3 HB2 ARG 3 4.852 -10.399 4.913 24 HB3 ARG 3 HB3 ARG 3 4.189 -10.742 3.306 25 HG2 ARG 3 HG2 ARG 3 5.858 -12.279 3.461 26 HG3 ARG 3 HG3 ARG 3 6.579 -10.952 2.513 27 HD2 ARG 3 HD2 ARG 3 7.935 -10.249 4.263 28 HD3 ARG 3 HD3 ARG 3 6.989 -11.093 5.505 29 HE ARG 3 HE ARG 3 9.114 -12.094 3.790 30 HH11 ARG 3 HH11 ARG 3 6.313 -13.123 5.823 31 HH12 ARG 3 HH12 ARG 3 7.001 -14.699 6.096 32 HH21 ARG 3 HH21 ARG 3 9.736 -14.320 3.999 33 HH22 ARG 3 HH22 ARG 3 8.918 -15.363 5.159 34 H PHE 4 H PHE 4 4.596 -7.528 5.170 35 HA PHE 4 HA PHE 4 1.784 -7.394 4.520 36 HB2 PHE 4 HB2 PHE 4 1.459 -5.958 6.217 37 HB3 PHE 4 HB3 PHE 4 2.899 -6.773 6.775 38 HD1 PHE 4 HD2 PHE 4 1.566 -3.714 5.144 39 HD2 PHE 4 HD1 PHE 4 4.839 -5.468 7.283 40 HE1 PHE 4 HE2 PHE 4 2.530 -1.439 5.536 41 HE2 PHE 4 HE1 PHE 4 5.891 -3.214 7.524 42 HZ PHE 4 HZ PHE 4 4.748 -1.219 6.644 43 H CYS 5 H CYS 5 4.603 -5.502 3.501 44 HA CYS 5 HA CYS 5 3.043 -3.507 2.196 45 HB2 CYS 5 HB2 CYS 5 5.875 -4.123 2.655 46 HB3 CYS 5 HB3 CYS 5 5.631 -3.650 0.996 47 H GLU 6 H GLU 6 4.025 -6.776 1.355 48 HA GLU 6 HA GLU 6 3.650 -6.194 -1.534 49 HB2 GLU 6 HB2 GLU 6 4.816 -8.044 -2.038 50 HB3 GLU 6 HB3 GLU 6 5.585 -7.571 -0.546 51 HG2 GLU 6 HG2 GLU 6 5.106 -9.510 0.481 52 HG3 GLU 6 HG3 GLU 6 3.432 -9.558 -0.059 53 H LEU 7 H LEU 7 1.369 -6.604 0.755 54 HA LEU 7 HA LEU 7 -0.035 -8.871 -0.366 55 HB2 LEU 7 HB2 LEU 7 -1.008 -6.641 1.441 56 HB3 LEU 7 HB3 LEU 7 -1.856 -8.164 1.107 57 HG LEU 7 HG LEU 7 0.714 -7.723 2.645 58 HD11 LEU 7 HD11 LEU 7 -0.475 -8.688 4.497 59 HD12 LEU 7 HD12 LEU 7 -1.844 -9.143 3.464 60 HD13 LEU 7 HD13 LEU 7 -1.497 -7.435 3.776 61 HD21 LEU 7 HD21 LEU 7 1.178 -9.732 1.394 62 HD22 LEU 7 HD22 LEU 7 -0.429 -10.404 1.791 63 HD23 LEU 7 HD23 LEU 7 0.799 -10.176 3.050 64 H ALA 8 H ALA 8 -2.237 -8.639 -1.131 65 HA ALA 8 HA ALA 8 -2.377 -6.629 -3.329 66 HB1 ALA 8 HB1 ALA 8 -2.480 -9.012 -4.025 67 HB2 ALA 8 HB2 ALA 8 -3.880 -9.243 -2.950 68 HB3 ALA 8 HB3 ALA 8 -3.995 -8.149 -4.340 69 HA PRO 9 HA PRO 9 -5.189 -5.005 -0.196 70 HB2 PRO 9 HB2 PRO 9 -6.171 -2.816 -1.476 71 HB3 PRO 9 HB3 PRO 9 -4.540 -2.902 -0.751 72 HG2 PRO 9 HG2 PRO 9 -5.312 -3.311 -3.662 73 HG3 PRO 9 HG3 PRO 9 -3.951 -2.360 -3.001 74 HD2 PRO 9 HD2 PRO 9 -3.663 -4.910 -3.937 75 HD3 PRO 9 HD3 PRO 9 -2.667 -4.270 -2.588 76 H SER 10 H SER 10 -7.075 -6.257 0.084 77 HA SER 10 HA SER 10 -8.781 -6.884 -2.156 78 HB2 SER 10 HB2 SER 10 -8.243 -8.484 -0.313 79 HB3 SER 10 HB3 SER 10 -9.230 -7.510 0.784 80 HG SER 10 HG SER 10 -10.093 -8.750 -1.647 81 H ALA 11 H ALA 11 -8.866 -4.391 -2.399 82 HA ALA 11 HA ALA 11 -10.609 -2.824 -0.755 83 HB1 ALA 11 HB1 ALA 11 -8.789 -1.874 -2.140 84 HB2 ALA 11 HB2 ALA 11 -9.649 -2.381 -3.614 85 HB3 ALA 11 HB3 ALA 11 -10.356 -1.150 -2.546 86 H GLY 12 H GLY 12 -11.436 -5.324 -2.821 87 HA2 GLY 12 HA2 GLY 12 -13.901 -4.144 -3.953 88 HA3 GLY 12 HA3 GLY 12 -13.292 -5.788 -4.168 89 H SER 13 H SER 13 -13.107 -4.994 -0.943 90 HA SER 13 HA SER 13 -14.823 -6.871 0.112 91 HB2 SER 13 HB2 SER 13 -14.170 -5.532 2.185 92 HB3 SER 13 HB3 SER 13 -12.831 -6.052 1.156 93 HG SER 13 HG SER 13 -12.869 -3.724 1.865 94 H CYS 14 H CYS 14 -15.194 -3.299 0.125 95 HA CYS 14 HA CYS 14 -18.137 -3.515 0.230 96 HB2 CYS 14 HB2 CYS 14 -16.421 -1.978 2.227 97 HB3 CYS 14 HB3 CYS 14 -18.141 -1.725 1.971 98 H PHE 15 H PHE 15 -19.130 -1.460 -0.329 99 HA PHE 15 HA PHE 15 -17.526 -0.111 -2.377 100 HB2 PHE 15 HB2 PHE 15 -19.896 -0.935 -2.670 101 HB3 PHE 15 HB3 PHE 15 -20.418 0.335 -1.569 102 HD1 PHE 15 HD1 PHE 15 -19.717 2.823 -2.204 103 HD2 PHE 15 HD2 PHE 15 -19.714 -0.504 -4.951 104 HE1 PHE 15 HE1 PHE 15 -19.641 4.382 -4.094 105 HE2 PHE 15 HE2 PHE 15 -19.864 1.072 -6.851 106 HZ PHE 15 HZ PHE 15 -19.841 3.518 -6.436 107 H ALA 16 H ALA 16 -16.192 1.425 -1.674 108 HA ALA 16 HA ALA 16 -17.245 3.762 -0.313 109 HB1 ALA 16 HB1 ALA 16 -14.914 2.219 0.877 110 HB2 ALA 16 HB2 ALA 16 -15.537 3.780 1.447 111 HB3 ALA 16 HB3 ALA 16 -16.528 2.312 1.588 112 H PHE 17 H PHE 17 -15.531 5.505 -0.403 113 HA PHE 17 HA PHE 17 -13.476 4.993 -2.500 114 HB2 PHE 17 HB2 PHE 17 -15.553 6.109 -3.383 115 HB3 PHE 17 HB3 PHE 17 -15.222 7.476 -2.333 116 HD1 PHE 17 HD2 PHE 17 -12.919 5.375 -4.489 117 HD2 PHE 17 HD1 PHE 17 -14.717 9.251 -3.860 118 HE1 PHE 17 HE2 PHE 17 -11.406 6.332 -6.157 119 HE2 PHE 17 HE1 PHE 17 -13.300 10.177 -5.675 120 HZ PHE 17 HZ PHE 17 -11.625 8.740 -6.804 121 H VAL 18 H VAL 18 -11.706 4.954 -1.172 122 HA VAL 18 HA VAL 18 -10.998 7.444 0.197 123 HB VAL 18 HB VAL 18 -10.039 6.021 2.094 124 HG11 VAL 18 HG11 VAL 18 -13.070 6.306 1.945 125 HG12 VAL 18 HG12 VAL 18 -12.045 6.301 3.398 126 HG13 VAL 18 HG13 VAL 18 -11.941 7.641 2.254 127 HG21 VAL 18 HG21 VAL 18 -12.250 4.103 1.210 128 HG22 VAL 18 HG22 VAL 18 -10.506 3.767 1.144 129 HG23 VAL 18 HG23 VAL 18 -11.297 3.996 2.703 130 HA PRO 19 HA PRO 19 -7.618 6.018 -2.395 131 HB2 PRO 19 HB2 PRO 19 -6.105 8.291 -2.499 132 HB3 PRO 19 HB3 PRO 19 -7.630 8.099 -3.407 133 HG2 PRO 19 HG2 PRO 19 -7.184 9.558 -0.807 134 HG3 PRO 19 HG3 PRO 19 -8.173 10.031 -2.221 135 HD2 PRO 19 HD2 PRO 19 -9.180 8.814 0.088 136 HD3 PRO 19 HD3 PRO 19 -9.956 8.687 -1.510 137 H SER 20 H SER 20 -5.952 4.839 -1.738 138 HA SER 20 HA SER 20 -4.366 5.823 0.560 139 HB2 SER 20 HB2 SER 20 -5.784 4.034 1.397 140 HB3 SER 20 HB3 SER 20 -5.074 2.907 0.229 141 HG SER 20 HG SER 20 -3.824 4.140 2.434 142 H TYR 21 H TYR 21 -2.315 4.108 0.551 143 HA TYR 21 HA TYR 21 -0.880 4.594 -2.017 144 HB2 TYR 21 HB2 TYR 21 -0.253 4.974 0.877 145 HB3 TYR 21 HB3 TYR 21 0.996 4.395 -0.147 146 HD1 TYR 21 HD2 TYR 21 1.786 6.036 -2.270 147 HD2 TYR 21 HD1 TYR 21 -0.981 7.217 0.894 148 HE1 TYR 21 HE2 TYR 21 2.121 8.309 -2.844 149 HE2 TYR 21 HE1 TYR 21 -0.545 9.575 0.328 150 HH TYR 21 HH TYR 21 1.627 10.521 -2.377 151 H TYR 22 H TYR 22 0.006 2.931 -2.990 152 HA TYR 22 HA TYR 22 -0.085 0.166 -1.805 153 HB2 TYR 22 HB2 TYR 22 -1.242 0.975 -3.940 154 HB3 TYR 22 HB3 TYR 22 0.331 1.106 -4.662 155 HD1 TYR 22 HD1 TYR 22 1.815 -0.844 -5.082 156 HD2 TYR 22 HD2 TYR 22 -2.350 -1.158 -4.041 157 HE1 TYR 22 HE1 TYR 22 1.793 -3.107 -6.018 158 HE2 TYR 22 HE2 TYR 22 -2.387 -3.460 -5.015 159 HH TYR 22 HH TYR 22 0.473 -4.921 -6.621 160 H TYR 23 H TYR 23 1.874 -1.140 -1.899 161 HA TYR 23 HA TYR 23 4.384 0.417 -2.505 162 HB2 TYR 23 HB2 TYR 23 4.384 -0.391 -0.308 163 HB3 TYR 23 HB3 TYR 23 3.758 -1.949 -0.785 164 HD1 TYR 23 HD1 TYR 23 6.749 0.231 -0.665 165 HD2 TYR 23 HD2 TYR 23 5.214 -3.676 -1.686 166 HE1 TYR 23 HE1 TYR 23 9.042 -0.638 -0.726 167 HE2 TYR 23 HE2 TYR 23 7.499 -4.548 -1.689 168 HH TYR 23 HH TYR 23 9.687 -4.088 -1.401 169 H ASN 24 H ASN 24 5.898 -0.225 -4.055 170 HA ASN 24 HA ASN 24 5.265 -2.682 -5.625 171 HB2 ASN 24 HB2 ASN 24 6.069 0.061 -6.660 172 HB3 ASN 24 HB3 ASN 24 6.189 -1.416 -7.597 173 HD21 ASN 24 HD21 ASN 24 4.207 1.201 -7.189 174 HD22 ASN 24 HD22 ASN 24 2.673 0.477 -7.617 175 H GLN 25 H GLN 25 6.918 -3.924 -4.509 176 HA GLN 25 HA GLN 25 9.585 -3.048 -4.140 177 HB2 GLN 25 HB2 GLN 25 10.242 -5.491 -4.241 178 HB3 GLN 25 HB3 GLN 25 9.141 -5.057 -2.981 179 HG2 GLN 25 HG2 GLN 25 8.155 -6.299 -5.583 180 HG3 GLN 25 HG3 GLN 25 8.784 -7.256 -4.230 181 HE21 GLN 25 HE21 GLN 25 5.893 -5.675 -5.380 182 HE22 GLN 25 HE22 GLN 25 5.023 -5.781 -3.891 183 H TYR 26 H TYR 26 7.969 -4.278 -7.047 184 HA TYR 26 HA TYR 26 10.144 -4.982 -8.626 185 HB2 TYR 26 HB2 TYR 26 7.555 -3.573 -9.379 186 HB3 TYR 26 HB3 TYR 26 8.645 -4.332 -10.523 187 HD1 TYR 26 HD2 TYR 26 9.168 -6.863 -10.179 188 HD2 TYR 26 HD1 TYR 26 5.781 -4.842 -8.452 189 HE1 TYR 26 HE2 TYR 26 8.003 -9.034 -9.967 190 HE2 TYR 26 HE1 TYR 26 4.620 -7.019 -8.178 191 HH TYR 26 HH TYR 26 5.539 -9.866 -9.761 192 H SER 27 H SER 27 8.902 -1.704 -7.875 193 HA SER 27 HA SER 27 11.111 -0.525 -9.459 194 HB2 SER 27 HB2 SER 27 8.810 0.009 -10.186 195 HB3 SER 27 HB3 SER 27 8.473 0.661 -8.581 196 HG SER 27 HG SER 27 9.799 1.772 -10.729 197 H ASN 28 H ASN 28 10.484 -1.358 -6.305 198 HA ASN 28 HA ASN 28 11.223 -0.693 -4.293 199 HB2 ASN 28 HB2 ASN 28 13.366 -1.130 -5.383 200 HB3 ASN 28 HB3 ASN 28 13.413 0.464 -6.092 201 HD21 ASN 28 HD21 ASN 28 13.280 -0.937 -2.705 202 HD22 ASN 28 HD22 ASN 28 14.569 0.127 -2.161 203 H THR 29 H THR 29 9.094 0.775 -5.040 204 HA THR 29 HA THR 29 9.432 3.262 -3.622 205 HB THR 29 HB THR 29 10.030 3.921 -5.962 206 HG1 THR 29 HG1 THR 29 8.299 5.603 -6.045 207 HG21 THR 29 HG21 THR 29 7.124 3.251 -6.624 208 HG22 THR 29 HG22 THR 29 8.558 2.385 -7.217 209 HG23 THR 29 HG23 THR 29 8.282 4.069 -7.674 210 H CYS 30 H CYS 30 6.875 4.368 -3.975 211 HA CYS 30 HA CYS 30 4.955 2.181 -3.749 212 HB2 CYS 30 HB2 CYS 30 4.772 4.423 -1.794 213 HB3 CYS 30 HB3 CYS 30 4.240 2.741 -1.732 214 H HIS 31 H HIS 31 2.802 2.987 -4.393 215 HA HIS 31 HA HIS 31 2.742 5.686 -5.540 216 HB2 HIS 31 HB2 HIS 31 3.497 3.716 -7.155 217 HB3 HIS 31 HB3 HIS 31 1.793 3.272 -7.115 218 HD1 HIS 31 HD1 HIS 31 1.268 4.017 -9.664 219 HD2 HIS 31 HD2 HIS 31 3.203 6.907 -7.268 220 HE1 HIS 31 HE1 HIS 31 1.195 6.144 -10.967 221 H SER 32 H SER 32 0.594 6.577 -5.576 222 HA SER 32 HA SER 32 -1.199 5.571 -3.627 223 HB2 SER 32 HB2 SER 32 -1.630 7.407 -5.890 224 HB3 SER 32 HB3 SER 32 -2.697 7.306 -4.469 225 HG SER 32 HG SER 32 -1.431 8.989 -4.050 226 H PHE 33 H PHE 33 -3.160 4.528 -3.806 227 HA PHE 33 HA PHE 33 -4.183 3.587 -6.394 228 HB2 PHE 33 HB2 PHE 33 -4.129 1.351 -5.934 229 HB3 PHE 33 HB3 PHE 33 -2.571 1.877 -5.320 230 HD1 PHE 33 HD2 PHE 33 -2.512 2.354 -2.721 231 HD2 PHE 33 HD1 PHE 33 -5.621 0.086 -4.608 232 HE1 PHE 33 HE2 PHE 33 -3.016 1.237 -0.540 233 HE2 PHE 33 HE1 PHE 33 -6.266 -0.841 -2.454 234 HZ PHE 33 HZ PHE 33 -4.906 -0.329 -0.368 235 H THR 34 H THR 34 -6.393 2.201 -5.641 236 HA THR 34 HA THR 34 -7.951 4.178 -4.011 237 HB THR 34 HB THR 34 -9.875 3.039 -5.236 238 HG1 THR 34 HG1 THR 34 -9.279 1.385 -6.280 239 HG21 THR 34 HG21 THR 34 -9.146 5.265 -5.868 240 HG22 THR 34 HG22 THR 34 -9.586 4.337 -7.303 241 HG23 THR 34 HG23 THR 34 -7.874 4.595 -6.908 242 H TYR 35 H TYR 35 -8.761 3.580 -2.013 243 HA TYR 35 HA TYR 35 -8.847 0.682 -1.453 244 HB2 TYR 35 HB2 TYR 35 -7.130 2.062 -0.197 245 HB3 TYR 35 HB3 TYR 35 -8.460 2.769 0.672 246 HD1 TYR 35 HD1 TYR 35 -7.241 -0.685 -0.396 247 HD2 TYR 35 HD2 TYR 35 -8.897 1.757 2.764 248 HE1 TYR 35 HE1 TYR 35 -6.722 -2.438 1.231 249 HE2 TYR 35 HE2 TYR 35 -8.504 -0.047 4.369 250 HH TYR 35 HH TYR 35 -7.650 -2.390 4.608 251 H SER 36 H SER 36 -10.395 0.414 0.734 252 HA SER 36 HA SER 36 -12.805 2.049 0.489 253 HB2 SER 36 HB2 SER 36 -14.182 -0.091 0.509 254 HB3 SER 36 HB3 SER 36 -13.366 0.323 -1.004 255 HG SER 36 HG SER 36 -12.896 -1.726 -0.748 256 H GLY 37 H GLY 37 -14.405 1.100 2.417 257 HA2 GLY 37 HA2 GLY 37 -12.929 1.674 4.807 258 HA3 GLY 37 HA3 GLY 37 -14.640 1.261 4.686 259 H CYS 38 H CYS 38 -15.072 -1.112 4.180 260 HA CYS 38 HA CYS 38 -13.757 -2.674 6.244 261 HB2 CYS 38 HB2 CYS 38 -15.521 -4.065 6.108 262 HB3 CYS 38 HB3 CYS 38 -16.261 -2.652 5.392 263 H GLY 39 H GLY 39 -13.267 -5.100 5.650 264 HA2 GLY 39 HA2 GLY 39 -11.789 -6.580 4.775 265 HA3 GLY 39 HA3 GLY 39 -12.285 -5.999 3.193 266 H GLY 40 H GLY 40 -10.571 -5.636 1.969 267 HA2 GLY 40 HA2 GLY 40 -8.617 -4.745 1.238 268 HA3 GLY 40 HA3 GLY 40 -8.618 -3.714 2.659 269 H ASN 41 H ASN 41 -6.175 -4.419 2.095 270 HA ASN 41 HA ASN 41 -5.513 -6.562 4.028 271 HB2 ASN 41 HB2 ASN 41 -4.164 -6.354 1.278 272 HB3 ASN 41 HB3 ASN 41 -3.588 -7.297 2.616 273 HD21 ASN 41 HD21 ASN 41 -4.206 -9.453 2.741 274 HD22 ASN 41 HD22 ASN 41 -5.668 -10.044 1.962 275 H ALA 42 H ALA 42 -3.195 -6.452 4.660 276 HA ALA 42 HA ALA 42 -2.617 -3.990 5.758 277 HB1 ALA 42 HB1 ALA 42 -0.560 -4.878 6.499 278 HB2 ALA 42 HB2 ALA 42 -1.724 -6.218 6.489 279 HB3 ALA 42 HB3 ALA 42 -0.508 -6.071 5.188 280 H ASN 43 H ASN 43 -2.066 -4.772 2.429 281 HA ASN 43 HA ASN 43 0.229 -3.175 1.869 282 HB2 ASN 43 HB2 ASN 43 -0.353 -4.608 0.180 283 HB3 ASN 43 HB3 ASN 43 -2.088 -4.321 0.334 284 HD21 ASN 43 HD21 ASN 43 0.667 -3.543 -1.616 285 HD22 ASN 43 HD22 ASN 43 -0.326 -2.512 -2.609 286 H ARG 44 H ARG 44 -2.968 -2.200 2.880 287 HA ARG 44 HA ARG 44 -2.882 0.419 1.609 288 HB2 ARG 44 HB2 ARG 44 -5.004 -0.345 2.120 289 HB3 ARG 44 HB3 ARG 44 -4.578 -0.936 3.727 290 HG2 ARG 44 HG2 ARG 44 -4.338 2.012 3.295 291 HG3 ARG 44 HG3 ARG 44 -5.957 1.393 3.231 292 HD2 ARG 44 HD2 ARG 44 -4.000 1.000 5.537 293 HD3 ARG 44 HD3 ARG 44 -5.237 2.259 5.421 294 HE ARG 44 HE ARG 44 -6.118 -0.505 5.057 295 HH11 ARG 44 HH11 ARG 44 -5.675 2.178 7.363 296 HH12 ARG 44 HH12 ARG 44 -7.000 1.700 8.397 297 HH21 ARG 44 HH21 ARG 44 -7.807 -1.248 6.726 298 HH22 ARG 44 HH22 ARG 44 -8.153 -0.132 8.019 299 H PHE 45 H PHE 45 -2.079 2.248 2.407 300 HA PHE 45 HA PHE 45 -0.765 2.302 5.088 301 HB2 PHE 45 HB2 PHE 45 0.316 3.604 2.577 302 HB3 PHE 45 HB3 PHE 45 1.126 3.446 4.095 303 HD1 PHE 45 HD1 PHE 45 0.712 0.416 4.636 304 HD2 PHE 45 HD2 PHE 45 1.679 2.621 1.056 305 HE1 PHE 45 HE1 PHE 45 1.589 -1.644 3.572 306 HE2 PHE 45 HE2 PHE 45 2.571 0.614 0.053 307 HZ PHE 45 HZ PHE 45 2.546 -1.556 1.280 308 H ARG 46 H ARG 46 0.140 4.879 5.144 309 HA ARG 46 HA ARG 46 -2.304 6.548 4.805 310 HB2 ARG 46 HB2 ARG 46 -1.198 7.823 6.795 311 HB3 ARG 46 HB3 ARG 46 -2.225 6.426 7.051 312 HG2 ARG 46 HG2 ARG 46 -0.314 6.449 8.540 313 HG3 ARG 46 HG3 ARG 46 -0.362 4.996 7.563 314 HD2 ARG 46 HD2 ARG 46 1.316 7.339 6.658 315 HD3 ARG 46 HD3 ARG 46 1.907 6.398 7.998 316 HE ARG 46 HE ARG 46 2.260 5.764 5.348 317 HH11 ARG 46 HH11 ARG 46 1.589 4.150 8.486 318 HH12 ARG 46 HH12 ARG 46 2.238 2.626 7.931 319 HH21 ARG 46 HH21 ARG 46 3.337 3.727 4.815 320 HH22 ARG 46 HH22 ARG 46 3.269 2.453 5.981 321 H THR 47 H THR 47 1.134 6.258 4.167 322 HA THR 47 HA THR 47 1.063 8.424 2.375 323 HB THR 47 HB THR 47 1.275 9.633 4.598 324 HG1 THR 47 HG1 THR 47 2.353 11.077 3.585 325 HG21 THR 47 HG21 THR 47 4.133 8.633 4.498 326 HG22 THR 47 HG22 THR 47 2.970 7.993 5.634 327 HG23 THR 47 HG23 THR 47 3.415 9.709 5.704 328 H ILE 48 H ILE 48 2.952 8.554 1.073 329 HA ILE 48 HA ILE 48 4.237 6.014 0.661 330 HB ILE 48 HB ILE 48 3.930 7.297 -1.281 331 HG12 ILE 48 HG12 ILE 48 6.909 7.438 -0.567 332 HG13 ILE 48 HG13 ILE 48 6.030 6.001 -1.075 333 HG21 ILE 48 HG21 ILE 48 5.531 9.619 -0.116 334 HG22 ILE 48 HG22 ILE 48 4.786 9.540 -1.714 335 HG23 ILE 48 HG23 ILE 48 3.761 9.603 -0.295 336 HD11 ILE 48 HD11 ILE 48 7.164 6.800 -2.979 337 HD12 ILE 48 HD12 ILE 48 5.455 7.181 -3.207 338 HD13 ILE 48 HD13 ILE 48 6.591 8.467 -2.741 339 H ASP 49 H ASP 49 5.103 9.093 2.178 340 HA ASP 49 HA ASP 49 7.801 8.831 2.613 341 HB2 ASP 49 HB2 ASP 49 5.819 10.019 4.543 342 HB3 ASP 49 HB3 ASP 49 7.558 10.298 4.513 343 H GLU 50 H GLU 50 5.168 7.195 4.512 344 HA GLU 50 HA GLU 50 7.190 6.159 6.360 345 HB2 GLU 50 HB2 GLU 50 5.094 6.937 7.257 346 HB3 GLU 50 HB3 GLU 50 4.245 5.897 6.124 347 HG2 GLU 50 HG2 GLU 50 4.210 4.920 8.363 348 HG3 GLU 50 HG3 GLU 50 5.130 3.880 7.286 349 H CYS 51 H CYS 51 4.995 5.177 3.695 350 HA CYS 51 HA CYS 51 5.410 2.395 3.778 351 HB2 CYS 51 HB2 CYS 51 3.786 3.210 2.237 352 HB3 CYS 51 HB3 CYS 51 4.962 4.281 1.451 353 H ASN 52 H ASN 52 7.378 4.918 2.235 354 HA ASN 52 HA ASN 52 9.194 3.007 1.116 355 HB2 ASN 52 HB2 ASN 52 10.332 4.692 0.109 356 HB3 ASN 52 HB3 ASN 52 8.686 5.322 0.158 357 HD21 ASN 52 HD21 ASN 52 8.394 7.309 1.074 358 HD22 ASN 52 HD22 ASN 52 9.640 8.191 1.937 359 H ARG 53 H ARG 53 9.517 5.352 3.879 360 HA ARG 53 HA ARG 53 12.006 4.345 4.614 361 HB2 ARG 53 HB2 ARG 53 11.883 5.637 6.503 362 HB3 ARG 53 HB3 ARG 53 10.666 6.399 5.455 363 HG2 ARG 53 HG2 ARG 53 8.903 5.219 6.624 364 HG3 ARG 53 HG3 ARG 53 10.039 4.473 7.729 365 HD2 ARG 53 HD2 ARG 53 9.883 7.495 7.407 366 HD3 ARG 53 HD3 ARG 53 8.809 6.621 8.509 367 HE ARG 53 HE ARG 53 11.075 5.613 9.356 368 HH11 ARG 53 HH11 ARG 53 10.615 9.077 8.545 369 HH12 ARG 53 HH12 ARG 53 11.520 9.622 9.924 370 HH21 ARG 53 HH21 ARG 53 12.185 6.367 11.162 371 HH22 ARG 53 HH22 ARG 53 12.512 8.048 11.383 372 H THR 54 H THR 54 8.898 2.848 5.312 373 HA THR 54 HA THR 54 10.096 0.884 7.103 374 HB THR 54 HB THR 54 7.819 2.217 7.149 375 HG1 THR 54 HG1 THR 54 7.109 0.839 8.621 376 HG21 THR 54 HG21 THR 54 6.808 -0.386 5.980 377 HG22 THR 54 HG22 THR 54 6.974 1.095 5.017 378 HG23 THR 54 HG23 THR 54 5.895 1.095 6.412 379 H CYS 55 H CYS 55 9.614 0.922 3.639 380 HA CYS 55 HA CYS 55 9.946 -2.027 3.605 381 HB2 CYS 55 HB2 CYS 55 8.056 -0.463 1.814 382 HB3 CYS 55 HB3 CYS 55 8.406 -2.184 1.716 383 H VAL 56 H VAL 56 10.121 0.920 1.525 384 HA VAL 56 HA VAL 56 11.574 -0.190 -0.556 385 HB VAL 56 HB VAL 56 11.387 2.589 0.557 386 HG11 VAL 56 HG11 VAL 56 12.729 1.982 -2.063 387 HG12 VAL 56 HG12 VAL 56 12.365 3.554 -1.350 388 HG13 VAL 56 HG13 VAL 56 13.572 2.516 -0.590 389 HG21 VAL 56 HG21 VAL 56 10.303 1.239 -1.952 390 HG22 VAL 56 HG22 VAL 56 9.362 1.564 -0.486 391 HG23 VAL 56 HG23 VAL 56 9.973 2.900 -1.446 392 H GLY 57 H GLY 57 13.356 -1.234 -0.611 393 HA2 GLY 57 HA2 GLY 57 15.262 -1.408 1.518 394 HA3 GLY 57 HA3 GLY 57 15.436 -2.063 -0.127 Start of MODEL 16 1 H1 ARG 1 H ARG 1 12.542 -5.330 2.019 2 HA ARG 1 HA ARG 1 10.506 -4.438 3.130 3 HB2 ARG 1 HB2 ARG 1 8.825 -5.437 1.290 4 HB3 ARG 1 HB3 ARG 1 9.940 -4.161 0.970 5 HG2 ARG 1 HG2 ARG 1 10.580 -7.070 0.334 6 HG3 ARG 1 HG3 ARG 1 9.761 -5.979 -0.757 7 HD2 ARG 1 HD2 ARG 1 11.636 -5.023 -1.459 8 HD3 ARG 1 HD3 ARG 1 12.132 -4.607 0.156 9 HE ARG 1 HE ARG 1 13.683 -6.257 0.091 10 HH11 ARG 1 HH11 ARG 1 11.331 -6.958 -2.468 11 HH12 ARG 1 HH12 ARG 1 12.456 -7.832 -3.465 12 HH21 ARG 1 HH21 ARG 1 14.972 -7.881 -0.950 13 HH22 ARG 1 HH22 ARG 1 14.420 -8.582 -2.441 14 HA PRO 2 HA PRO 2 8.709 -7.723 5.577 15 HB2 PRO 2 HB2 PRO 2 6.542 -6.406 6.605 16 HB3 PRO 2 HB3 PRO 2 8.207 -6.101 7.154 17 HG2 PRO 2 HG2 PRO 2 6.614 -4.541 5.104 18 HG3 PRO 2 HG3 PRO 2 7.564 -3.892 6.490 19 HD2 PRO 2 HD2 PRO 2 8.602 -3.966 3.991 20 HD3 PRO 2 HD3 PRO 2 9.612 -4.338 5.418 21 H ARG 3 H ARG 3 7.024 -9.241 5.325 22 HA ARG 3 HA ARG 3 5.856 -9.541 2.817 23 HB2 ARG 3 HB2 ARG 3 4.777 -11.453 3.638 24 HB3 ARG 3 HB3 ARG 3 6.289 -11.352 4.509 25 HG2 ARG 3 HG2 ARG 3 3.491 -10.696 5.550 26 HG3 ARG 3 HG3 ARG 3 4.498 -12.058 6.006 27 HD2 ARG 3 HD2 ARG 3 5.039 -9.148 6.625 28 HD3 ARG 3 HD3 ARG 3 4.482 -10.381 7.772 29 HE ARG 3 HE ARG 3 6.743 -11.556 6.927 30 HH11 ARG 3 HH11 ARG 3 6.222 -8.457 8.547 31 HH12 ARG 3 HH12 ARG 3 7.932 -8.181 8.746 32 HH21 ARG 3 HH21 ARG 3 8.873 -11.168 7.127 33 HH22 ARG 3 HH22 ARG 3 9.517 -9.742 7.880 34 H PHE 4 H PHE 4 4.545 -7.545 5.413 35 HA PHE 4 HA PHE 4 1.822 -7.818 4.464 36 HB2 PHE 4 HB2 PHE 4 1.238 -6.246 6.052 37 HB3 PHE 4 HB3 PHE 4 2.582 -7.081 6.791 38 HD1 PHE 4 HD2 PHE 4 1.538 -3.975 5.029 39 HD2 PHE 4 HD1 PHE 4 4.568 -5.885 7.400 40 HE1 PHE 4 HE2 PHE 4 2.602 -1.736 5.527 41 HE2 PHE 4 HE1 PHE 4 5.664 -3.675 7.787 42 HZ PHE 4 HZ PHE 4 4.651 -1.611 6.873 43 H CYS 5 H CYS 5 4.623 -5.853 3.437 44 HA CYS 5 HA CYS 5 3.039 -3.859 2.117 45 HB2 CYS 5 HB2 CYS 5 5.821 -4.429 2.764 46 HB3 CYS 5 HB3 CYS 5 5.695 -4.070 1.058 47 H GLU 6 H GLU 6 3.873 -7.137 1.310 48 HA GLU 6 HA GLU 6 3.678 -6.446 -1.611 49 HB2 GLU 6 HB2 GLU 6 4.797 -8.496 -2.074 50 HB3 GLU 6 HB3 GLU 6 5.637 -7.513 -0.861 51 HG2 GLU 6 HG2 GLU 6 5.978 -9.572 -0.036 52 HG3 GLU 6 HG3 GLU 6 4.643 -9.021 0.916 53 H LEU 7 H LEU 7 1.372 -6.960 0.557 54 HA LEU 7 HA LEU 7 -0.047 -9.148 -0.701 55 HB2 LEU 7 HB2 LEU 7 -1.131 -6.974 1.111 56 HB3 LEU 7 HB3 LEU 7 -1.890 -8.532 0.743 57 HG LEU 7 HG LEU 7 0.563 -7.984 2.441 58 HD11 LEU 7 HD11 LEU 7 -0.702 -8.991 4.224 59 HD12 LEU 7 HD12 LEU 7 -2.000 -9.479 3.108 60 HD13 LEU 7 HD13 LEU 7 -1.719 -7.769 3.448 61 HD21 LEU 7 HD21 LEU 7 -0.428 -10.729 1.597 62 HD22 LEU 7 HD22 LEU 7 0.793 -10.379 2.859 63 HD23 LEU 7 HD23 LEU 7 1.130 -9.969 1.196 64 H ALA 8 H ALA 8 -2.202 -8.834 -1.646 65 HA ALA 8 HA ALA 8 -2.203 -6.592 -3.613 66 HB1 ALA 8 HB1 ALA 8 -3.779 -9.168 -3.677 67 HB2 ALA 8 HB2 ALA 8 -3.679 -7.940 -4.949 68 HB3 ALA 8 HB3 ALA 8 -2.244 -8.904 -4.543 69 HA PRO 9 HA PRO 9 -5.322 -5.336 -0.565 70 HB2 PRO 9 HB2 PRO 9 -5.962 -2.874 -1.517 71 HB3 PRO 9 HB3 PRO 9 -4.425 -3.230 -0.670 72 HG2 PRO 9 HG2 PRO 9 -4.907 -3.037 -3.659 73 HG3 PRO 9 HG3 PRO 9 -3.553 -2.355 -2.698 74 HD2 PRO 9 HD2 PRO 9 -3.393 -4.727 -4.082 75 HD3 PRO 9 HD3 PRO 9 -2.467 -4.408 -2.582 76 H SER 10 H SER 10 -7.062 -6.627 -0.752 77 HA SER 10 HA SER 10 -8.783 -6.796 -3.060 78 HB2 SER 10 HB2 SER 10 -8.313 -8.702 -1.531 79 HB3 SER 10 HB3 SER 10 -9.095 -7.825 -0.212 80 HG SER 10 HG SER 10 -10.984 -7.787 -1.520 81 H ALA 11 H ALA 11 -8.739 -4.139 -2.586 82 HA ALA 11 HA ALA 11 -10.529 -3.017 -0.725 83 HB1 ALA 11 HB1 ALA 11 -8.922 -1.706 -2.075 84 HB2 ALA 11 HB2 ALA 11 -9.874 -2.062 -3.537 85 HB3 ALA 11 HB3 ALA 11 -10.578 -1.075 -2.243 86 H GLY 12 H GLY 12 -11.176 -4.553 -3.830 87 HA2 GLY 12 HA2 GLY 12 -13.804 -3.735 -4.302 88 HA3 GLY 12 HA3 GLY 12 -13.073 -5.250 -4.834 89 H SER 13 H SER 13 -12.814 -5.615 -1.600 90 HA SER 13 HA SER 13 -15.055 -7.396 -1.426 91 HB2 SER 13 HB2 SER 13 -12.875 -7.712 -0.284 92 HB3 SER 13 HB3 SER 13 -13.233 -6.321 0.748 93 HG SER 13 HG SER 13 -13.822 -8.169 1.852 94 H CYS 14 H CYS 14 -14.647 -3.955 -0.682 95 HA CYS 14 HA CYS 14 -17.504 -3.780 0.093 96 HB2 CYS 14 HB2 CYS 14 -15.100 -2.812 1.697 97 HB3 CYS 14 HB3 CYS 14 -16.625 -1.935 1.705 98 H PHE 15 H PHE 15 -18.434 -1.974 -0.895 99 HA PHE 15 HA PHE 15 -16.625 -0.422 -2.647 100 HB2 PHE 15 HB2 PHE 15 -18.553 -1.012 -3.809 101 HB3 PHE 15 HB3 PHE 15 -19.597 -0.769 -2.416 102 HD1 PHE 15 HD2 PHE 15 -17.045 1.716 -3.763 103 HD2 PHE 15 HD1 PHE 15 -21.209 0.696 -3.244 104 HE1 PHE 15 HE2 PHE 15 -17.707 4.046 -4.264 105 HE2 PHE 15 HE1 PHE 15 -21.837 2.995 -3.802 106 HZ PHE 15 HZ PHE 15 -20.072 4.699 -4.317 107 H ALA 16 H ALA 16 -15.556 1.129 -1.658 108 HA ALA 16 HA ALA 16 -16.959 3.221 -0.255 109 HB1 ALA 16 HB1 ALA 16 -16.380 1.758 1.619 110 HB2 ALA 16 HB2 ALA 16 -14.709 1.643 1.056 111 HB3 ALA 16 HB3 ALA 16 -15.331 3.189 1.656 112 H PHE 17 H PHE 17 -15.153 4.982 0.188 113 HA PHE 17 HA PHE 17 -13.104 4.916 -1.966 114 HB2 PHE 17 HB2 PHE 17 -15.258 6.083 -2.653 115 HB3 PHE 17 HB3 PHE 17 -14.804 7.376 -1.546 116 HD1 PHE 17 HD2 PHE 17 -11.598 6.809 -2.483 117 HD2 PHE 17 HD1 PHE 17 -15.330 7.782 -4.428 118 HE1 PHE 17 HE2 PHE 17 -10.363 7.800 -4.338 119 HE2 PHE 17 HE1 PHE 17 -14.055 8.836 -6.278 120 HZ PHE 17 HZ PHE 17 -11.572 8.851 -6.240 121 H VAL 18 H VAL 18 -11.371 4.764 -0.641 122 HA VAL 18 HA VAL 18 -10.710 7.064 1.035 123 HB VAL 18 HB VAL 18 -9.698 5.449 2.727 124 HG11 VAL 18 HG11 VAL 18 -11.600 6.990 3.138 125 HG12 VAL 18 HG12 VAL 18 -12.737 5.733 2.604 126 HG13 VAL 18 HG13 VAL 18 -11.746 5.487 4.061 127 HG21 VAL 18 HG21 VAL 18 -11.855 3.595 1.618 128 HG22 VAL 18 HG22 VAL 18 -10.103 3.309 1.567 129 HG23 VAL 18 HG23 VAL 18 -10.937 3.349 3.125 130 HA PRO 19 HA PRO 19 -7.615 5.908 -2.117 131 HB2 PRO 19 HB2 PRO 19 -6.298 8.312 -2.296 132 HB3 PRO 19 HB3 PRO 19 -7.851 7.974 -3.119 133 HG2 PRO 19 HG2 PRO 19 -7.432 9.353 -0.441 134 HG3 PRO 19 HG3 PRO 19 -8.419 9.914 -1.818 135 HD2 PRO 19 HD2 PRO 19 -9.493 8.586 0.277 136 HD3 PRO 19 HD3 PRO 19 -10.091 8.268 -1.383 137 H SER 20 H SER 20 -5.874 4.771 -1.527 138 HA SER 20 HA SER 20 -4.189 5.723 0.722 139 HB2 SER 20 HB2 SER 20 -5.560 3.902 1.531 140 HB3 SER 20 HB3 SER 20 -4.992 2.847 0.239 141 HG SER 20 HG SER 20 -3.549 3.837 2.423 142 H TYR 21 H TYR 21 -2.161 3.962 0.573 143 HA TYR 21 HA TYR 21 -0.733 4.570 -1.985 144 HB2 TYR 21 HB2 TYR 21 0.059 4.768 0.898 145 HB3 TYR 21 HB3 TYR 21 1.273 4.249 -0.267 146 HD1 TYR 21 HD2 TYR 21 1.941 5.761 -2.193 147 HD2 TYR 21 HD1 TYR 21 -0.648 7.068 1.012 148 HE1 TYR 21 HE2 TYR 21 2.239 8.097 -2.908 149 HE2 TYR 21 HE1 TYR 21 -0.264 9.414 0.358 150 HH TYR 21 HH TYR 21 1.752 10.351 -2.448 151 H TYR 22 H TYR 22 0.124 2.937 -2.954 152 HA TYR 22 HA TYR 22 -0.012 0.162 -1.887 153 HB2 TYR 22 HB2 TYR 22 -1.237 1.008 -4.023 154 HB3 TYR 22 HB3 TYR 22 0.323 1.293 -4.714 155 HD1 TYR 22 HD1 TYR 22 1.945 -0.715 -4.977 156 HD2 TYR 22 HD2 TYR 22 -2.323 -1.031 -4.438 157 HE1 TYR 22 HE1 TYR 22 2.007 -2.928 -5.972 158 HE2 TYR 22 HE2 TYR 22 -2.274 -3.286 -5.498 159 HH TYR 22 HH TYR 22 -0.827 -5.062 -6.424 160 H TYR 23 H TYR 23 1.945 -1.095 -1.993 161 HA TYR 23 HA TYR 23 4.481 0.427 -2.481 162 HB2 TYR 23 HB2 TYR 23 4.419 -0.488 -0.289 163 HB3 TYR 23 HB3 TYR 23 3.810 -2.027 -0.861 164 HD1 TYR 23 HD1 TYR 23 6.835 0.200 -0.835 165 HD2 TYR 23 HD2 TYR 23 5.266 -3.747 -1.519 166 HE1 TYR 23 HE1 TYR 23 9.135 -0.701 -0.902 167 HE2 TYR 23 HE2 TYR 23 7.559 -4.674 -1.389 168 HH TYR 23 HH TYR 23 10.540 -2.734 -1.215 169 H ASN 24 H ASN 24 5.599 0.043 -4.294 170 HA ASN 24 HA ASN 24 4.959 -2.366 -5.948 171 HB2 ASN 24 HB2 ASN 24 5.992 0.391 -6.748 172 HB3 ASN 24 HB3 ASN 24 5.951 -1.012 -7.816 173 HD21 ASN 24 HD21 ASN 24 4.449 1.614 -7.992 174 HD22 ASN 24 HD22 ASN 24 2.761 1.154 -8.071 175 H GLN 25 H GLN 25 6.472 -3.735 -4.800 176 HA GLN 25 HA GLN 25 9.162 -3.005 -4.274 177 HB2 GLN 25 HB2 GLN 25 9.741 -5.294 -4.046 178 HB3 GLN 25 HB3 GLN 25 8.194 -5.042 -3.301 179 HG2 GLN 25 HG2 GLN 25 8.666 -6.427 -5.948 180 HG3 GLN 25 HG3 GLN 25 8.326 -7.188 -4.409 181 HE21 GLN 25 HE21 GLN 25 6.101 -5.100 -3.662 182 HE22 GLN 25 HE22 GLN 25 4.848 -5.527 -4.796 183 H TYR 26 H TYR 26 7.649 -4.262 -7.247 184 HA TYR 26 HA TYR 26 9.922 -4.849 -8.732 185 HB2 TYR 26 HB2 TYR 26 7.342 -3.572 -9.706 186 HB3 TYR 26 HB3 TYR 26 8.524 -4.394 -10.705 187 HD1 TYR 26 HD2 TYR 26 9.138 -6.919 -9.745 188 HD2 TYR 26 HD1 TYR 26 5.410 -4.795 -9.171 189 HE1 TYR 26 HE2 TYR 26 7.909 -9.088 -9.545 190 HE2 TYR 26 HE1 TYR 26 4.224 -6.922 -8.941 191 HH TYR 26 HH TYR 26 4.388 -9.213 -8.880 192 H SER 27 H SER 27 8.720 -1.689 -7.796 193 HA SER 27 HA SER 27 10.788 -0.453 -9.551 194 HB2 SER 27 HB2 SER 27 8.357 -0.092 -10.188 195 HB3 SER 27 HB3 SER 27 8.221 0.921 -8.746 196 HG SER 27 HG SER 27 10.330 1.318 -10.592 197 H ASN 28 H ASN 28 10.266 -1.367 -6.462 198 HA ASN 28 HA ASN 28 10.958 -0.812 -4.481 199 HB2 ASN 28 HB2 ASN 28 13.074 -0.970 -6.085 200 HB3 ASN 28 HB3 ASN 28 13.251 0.737 -5.696 201 HD21 ASN 28 HD21 ASN 28 14.398 1.075 -3.754 202 HD22 ASN 28 HD22 ASN 28 14.574 -0.088 -2.438 203 H THR 29 H THR 29 8.877 0.747 -5.122 204 HA THR 29 HA THR 29 9.352 3.111 -3.569 205 HB THR 29 HB THR 29 10.055 3.697 -5.942 206 HG1 THR 29 HG1 THR 29 9.644 5.585 -5.405 207 HG21 THR 29 HG21 THR 29 7.071 3.726 -6.551 208 HG22 THR 29 HG22 THR 29 8.234 2.534 -7.178 209 HG23 THR 29 HG23 THR 29 8.396 4.242 -7.601 210 H CYS 30 H CYS 30 6.936 4.415 -3.992 211 HA CYS 30 HA CYS 30 4.829 2.369 -3.694 212 HB2 CYS 30 HB2 CYS 30 5.069 4.808 -1.927 213 HB3 CYS 30 HB3 CYS 30 3.934 3.486 -1.774 214 H HIS 31 H HIS 31 2.690 3.334 -4.151 215 HA HIS 31 HA HIS 31 2.698 6.007 -5.397 216 HB2 HIS 31 HB2 HIS 31 3.424 4.115 -7.064 217 HB3 HIS 31 HB3 HIS 31 1.754 3.571 -6.960 218 HD1 HIS 31 HD1 HIS 31 0.681 4.430 -9.196 219 HD2 HIS 31 HD2 HIS 31 3.427 7.064 -7.395 220 HE1 HIS 31 HE1 HIS 31 0.839 6.436 -10.747 221 H SER 32 H SER 32 0.554 6.933 -5.386 222 HA SER 32 HA SER 32 -1.214 5.747 -3.498 223 HB2 SER 32 HB2 SER 32 -2.760 7.518 -4.260 224 HB3 SER 32 HB3 SER 32 -1.215 8.058 -3.594 225 HG SER 32 HG SER 32 -1.701 7.807 -6.389 226 H PHE 33 H PHE 33 -3.076 4.618 -3.691 227 HA PHE 33 HA PHE 33 -4.172 3.863 -6.326 228 HB2 PHE 33 HB2 PHE 33 -4.159 1.599 -5.969 229 HB3 PHE 33 HB3 PHE 33 -2.570 2.073 -5.417 230 HD1 PHE 33 HD2 PHE 33 -2.413 2.464 -2.764 231 HD2 PHE 33 HD1 PHE 33 -5.527 0.191 -4.654 232 HE1 PHE 33 HE2 PHE 33 -2.877 1.298 -0.610 233 HE2 PHE 33 HE1 PHE 33 -6.062 -0.858 -2.533 234 HZ PHE 33 HZ PHE 33 -4.675 -0.328 -0.427 235 H THR 34 H THR 34 -6.379 2.453 -5.589 236 HA THR 34 HA THR 34 -7.852 4.291 -3.691 237 HB THR 34 HB THR 34 -9.884 3.451 -4.929 238 HG1 THR 34 HG1 THR 34 -8.036 2.748 -6.952 239 HG21 THR 34 HG21 THR 34 -9.636 5.006 -6.809 240 HG22 THR 34 HG22 THR 34 -7.882 5.076 -6.546 241 HG23 THR 34 HG23 THR 34 -8.993 5.702 -5.316 242 H TYR 35 H TYR 35 -8.612 3.484 -1.780 243 HA TYR 35 HA TYR 35 -8.725 0.569 -1.564 244 HB2 TYR 35 HB2 TYR 35 -6.834 1.606 -0.353 245 HB3 TYR 35 HB3 TYR 35 -7.982 2.423 0.681 246 HD1 TYR 35 HD1 TYR 35 -7.066 -1.039 -0.602 247 HD2 TYR 35 HD2 TYR 35 -8.488 1.349 2.711 248 HE1 TYR 35 HE1 TYR 35 -6.576 -2.878 0.939 249 HE2 TYR 35 HE2 TYR 35 -8.189 -0.572 4.215 250 HH TYR 35 HH TYR 35 -6.916 -2.531 4.450 251 H SER 36 H SER 36 -10.195 -0.043 0.438 252 HA SER 36 HA SER 36 -12.581 1.692 0.674 253 HB2 SER 36 HB2 SER 36 -12.430 -1.323 0.259 254 HB3 SER 36 HB3 SER 36 -13.906 -0.422 0.636 255 HG SER 36 HG SER 36 -13.610 -0.763 -1.598 256 H GLY 37 H GLY 37 -13.940 0.764 2.807 257 HA2 GLY 37 HA2 GLY 37 -11.922 0.799 4.943 258 HA3 GLY 37 HA3 GLY 37 -13.644 0.986 5.129 259 H CYS 38 H CYS 38 -14.949 -1.115 4.602 260 HA CYS 38 HA CYS 38 -13.993 -3.113 6.466 261 HB2 CYS 38 HB2 CYS 38 -16.184 -4.186 5.998 262 HB3 CYS 38 HB3 CYS 38 -16.227 -2.558 6.621 263 H GLY 39 H GLY 39 -12.323 -3.032 4.000 264 HA2 GLY 39 HA2 GLY 39 -12.222 -5.906 3.520 265 HA3 GLY 39 HA3 GLY 39 -12.677 -4.917 2.104 266 H GLY 40 H GLY 40 -10.516 -6.011 1.454 267 HA2 GLY 40 HA2 GLY 40 -8.548 -5.163 0.509 268 HA3 GLY 40 HA3 GLY 40 -8.485 -3.914 1.722 269 H ASN 41 H ASN 41 -6.157 -4.792 1.374 270 HA ASN 41 HA ASN 41 -5.614 -6.775 3.484 271 HB2 ASN 41 HB2 ASN 41 -4.177 -6.688 0.797 272 HB3 ASN 41 HB3 ASN 41 -3.752 -7.691 2.163 273 HD21 ASN 41 HD21 ASN 41 -4.839 -9.666 2.541 274 HD22 ASN 41 HD22 ASN 41 -6.179 -10.164 1.552 275 H ALA 42 H ALA 42 -3.327 -6.680 4.214 276 HA ALA 42 HA ALA 42 -2.775 -4.229 5.242 277 HB1 ALA 42 HB1 ALA 42 -0.760 -5.121 6.104 278 HB2 ALA 42 HB2 ALA 42 -1.945 -6.439 6.063 279 HB3 ALA 42 HB3 ALA 42 -0.661 -6.341 4.818 280 H ASN 43 H ASN 43 -1.950 -4.945 1.890 281 HA ASN 43 HA ASN 43 0.363 -3.250 1.753 282 HB2 ASN 43 HB2 ASN 43 -0.168 -4.893 0.075 283 HB3 ASN 43 HB3 ASN 43 -1.623 -3.997 -0.398 284 HD21 ASN 43 HD21 ASN 43 -0.895 -3.688 -2.591 285 HD22 ASN 43 HD22 ASN 43 0.516 -2.743 -2.964 286 H ARG 44 H ARG 44 -2.645 -2.325 2.730 287 HA ARG 44 HA ARG 44 -2.745 0.297 1.354 288 HB2 ARG 44 HB2 ARG 44 -4.865 -0.708 1.827 289 HB3 ARG 44 HB3 ARG 44 -4.451 -1.075 3.490 290 HG2 ARG 44 HG2 ARG 44 -4.161 1.749 3.092 291 HG3 ARG 44 HG3 ARG 44 -5.690 1.331 2.401 292 HD2 ARG 44 HD2 ARG 44 -5.664 2.200 4.696 293 HD3 ARG 44 HD3 ARG 44 -6.342 0.563 4.690 294 HE ARG 44 HE ARG 44 -3.917 -0.127 5.089 295 HH11 ARG 44 HH11 ARG 44 -5.232 2.851 6.473 296 HH12 ARG 44 HH12 ARG 44 -4.068 2.980 7.750 297 HH21 ARG 44 HH21 ARG 44 -2.578 -0.172 6.867 298 HH22 ARG 44 HH22 ARG 44 -2.617 1.048 8.112 299 H PHE 45 H PHE 45 -1.815 2.103 2.230 300 HA PHE 45 HA PHE 45 -0.789 2.047 5.040 301 HB2 PHE 45 HB2 PHE 45 0.611 3.387 2.711 302 HB3 PHE 45 HB3 PHE 45 1.278 3.060 4.301 303 HD1 PHE 45 HD1 PHE 45 0.723 0.190 4.774 304 HD2 PHE 45 HD2 PHE 45 1.700 2.209 1.085 305 HE1 PHE 45 HE1 PHE 45 1.408 -1.965 3.737 306 HE2 PHE 45 HE2 PHE 45 2.411 0.089 0.129 307 HZ PHE 45 HZ PHE 45 2.339 -1.991 1.432 308 H ARG 46 H ARG 46 0.160 4.584 5.169 309 HA ARG 46 HA ARG 46 -2.256 6.294 4.615 310 HB2 ARG 46 HB2 ARG 46 -1.535 7.640 6.682 311 HB3 ARG 46 HB3 ARG 46 -2.484 6.175 6.818 312 HG2 ARG 46 HG2 ARG 46 -0.773 6.391 8.570 313 HG3 ARG 46 HG3 ARG 46 -0.692 4.903 7.664 314 HD2 ARG 46 HD2 ARG 46 1.542 5.682 8.078 315 HD3 ARG 46 HD3 ARG 46 1.254 5.849 6.360 316 HE ARG 46 HE ARG 46 1.166 8.218 6.567 317 HH11 ARG 46 HH11 ARG 46 2.248 6.625 9.619 318 HH12 ARG 46 HH12 ARG 46 2.423 8.157 10.413 319 HH21 ARG 46 HH21 ARG 46 1.378 10.191 7.774 320 HH22 ARG 46 HH22 ARG 46 1.956 10.128 9.397 321 H THR 47 H THR 47 1.208 6.087 4.120 322 HA THR 47 HA THR 47 1.026 8.343 2.413 323 HB THR 47 HB THR 47 1.213 9.484 4.645 324 HG1 THR 47 HG1 THR 47 1.769 10.636 2.892 325 HG21 THR 47 HG21 THR 47 3.288 9.470 5.835 326 HG22 THR 47 HG22 THR 47 4.086 8.586 4.529 327 HG23 THR 47 HG23 THR 47 2.932 7.746 5.512 328 H ILE 48 H ILE 48 3.047 8.666 1.205 329 HA ILE 48 HA ILE 48 4.364 6.172 0.642 330 HB ILE 48 HB ILE 48 4.024 7.668 -1.140 331 HG12 ILE 48 HG12 ILE 48 7.010 7.739 -0.535 332 HG13 ILE 48 HG13 ILE 48 6.142 6.318 -1.051 333 HG21 ILE 48 HG21 ILE 48 5.668 9.813 0.275 334 HG22 ILE 48 HG22 ILE 48 4.967 9.929 -1.342 335 HG23 ILE 48 HG23 ILE 48 3.903 9.855 0.041 336 HD11 ILE 48 HD11 ILE 48 7.127 7.290 -3.019 337 HD12 ILE 48 HD12 ILE 48 5.376 7.513 -3.110 338 HD13 ILE 48 HD13 ILE 48 6.433 8.874 -2.665 339 H ASP 49 H ASP 49 5.082 8.968 2.689 340 HA ASP 49 HA ASP 49 7.876 8.612 3.030 341 HB2 ASP 49 HB2 ASP 49 6.576 10.588 3.715 342 HB3 ASP 49 HB3 ASP 49 5.860 9.638 5.026 343 H GLU 50 H GLU 50 5.079 7.084 4.623 344 HA GLU 50 HA GLU 50 6.632 5.674 6.602 345 HB2 GLU 50 HB2 GLU 50 4.250 6.534 6.883 346 HB3 GLU 50 HB3 GLU 50 3.732 5.324 5.721 347 HG2 GLU 50 HG2 GLU 50 3.320 4.348 7.826 348 HG3 GLU 50 HG3 GLU 50 4.794 3.560 7.273 349 H CYS 51 H CYS 51 4.729 4.929 3.629 350 HA CYS 51 HA CYS 51 5.182 2.209 3.546 351 HB2 CYS 51 HB2 CYS 51 3.559 3.154 2.132 352 HB3 CYS 51 HB3 CYS 51 4.723 4.246 1.363 353 H ASN 52 H ASN 52 7.213 4.797 2.126 354 HA ASN 52 HA ASN 52 9.026 2.897 1.040 355 HB2 ASN 52 HB2 ASN 52 10.115 4.591 0.030 356 HB3 ASN 52 HB3 ASN 52 8.549 5.345 0.265 357 HD21 ASN 52 HD21 ASN 52 8.485 7.235 1.405 358 HD22 ASN 52 HD22 ASN 52 9.941 8.018 2.038 359 H ARG 53 H ARG 53 9.354 5.177 3.814 360 HA ARG 53 HA ARG 53 11.752 4.029 4.627 361 HB2 ARG 53 HB2 ARG 53 11.722 5.353 6.473 362 HB3 ARG 53 HB3 ARG 53 10.603 6.169 5.359 363 HG2 ARG 53 HG2 ARG 53 8.701 5.226 6.631 364 HG3 ARG 53 HG3 ARG 53 9.805 4.482 7.765 365 HD2 ARG 53 HD2 ARG 53 8.740 6.721 8.442 366 HD3 ARG 53 HD3 ARG 53 10.478 6.549 8.697 367 HE ARG 53 HE ARG 53 9.040 8.303 6.843 368 HH11 ARG 53 HH11 ARG 53 12.296 7.173 7.837 369 HH12 ARG 53 HH12 ARG 53 13.101 8.383 6.908 370 HH21 ARG 53 HH21 ARG 53 10.146 10.005 5.817 371 HH22 ARG 53 HH22 ARG 53 11.878 10.109 5.907 372 H THR 54 H THR 54 8.664 2.532 5.117 373 HA THR 54 HA THR 54 9.791 0.655 7.090 374 HB THR 54 HB THR 54 7.529 1.974 7.108 375 HG1 THR 54 HG1 THR 54 6.865 0.733 8.600 376 HG21 THR 54 HG21 THR 54 6.510 -0.590 5.839 377 HG22 THR 54 HG22 THR 54 6.822 0.855 4.869 378 HG23 THR 54 HG23 THR 54 5.648 0.942 6.176 379 H CYS 55 H CYS 55 9.413 0.701 3.596 380 HA CYS 55 HA CYS 55 9.853 -2.230 3.576 381 HB2 CYS 55 HB2 CYS 55 7.907 -0.738 1.774 382 HB3 CYS 55 HB3 CYS 55 8.277 -2.457 1.704 383 H VAL 56 H VAL 56 10.285 0.872 1.858 384 HA VAL 56 HA VAL 56 11.559 -0.305 -0.450 385 HB VAL 56 HB VAL 56 11.337 2.527 0.599 386 HG11 VAL 56 HG11 VAL 56 12.621 1.732 -2.014 387 HG12 VAL 56 HG12 VAL 56 12.257 3.375 -1.451 388 HG13 VAL 56 HG13 VAL 56 13.480 2.411 -0.604 389 HG21 VAL 56 HG21 VAL 56 9.901 2.805 -1.391 390 HG22 VAL 56 HG22 VAL 56 10.244 1.146 -1.902 391 HG23 VAL 56 HG23 VAL 56 9.298 1.449 -0.438 392 H GLY 57 H GLY 57 13.188 -1.488 -0.164 393 HA2 GLY 57 HA2 GLY 57 15.193 -1.234 1.916 394 HA3 GLY 57 HA3 GLY 57 15.055 -2.476 0.666 Start of MODEL 17 1 H1 ARG 1 H ARG 1 12.847 -4.912 2.245 2 HA ARG 1 HA ARG 1 10.626 -4.387 3.056 3 HB2 ARG 1 HB2 ARG 1 9.227 -5.541 1.113 4 HB3 ARG 1 HB3 ARG 1 10.197 -4.165 0.870 5 HG2 ARG 1 HG2 ARG 1 11.251 -6.935 0.231 6 HG3 ARG 1 HG3 ARG 1 10.186 -6.059 -0.832 7 HD2 ARG 1 HD2 ARG 1 12.075 -5.339 -1.792 8 HD3 ARG 1 HD3 ARG 1 11.983 -4.097 -0.563 9 HE ARG 1 HE ARG 1 13.874 -4.900 0.434 10 HH11 ARG 1 HH11 ARG 1 12.771 -7.343 -1.927 11 HH12 ARG 1 HH12 ARG 1 14.276 -8.209 -1.898 12 HH21 ARG 1 HH21 ARG 1 15.824 -6.111 0.471 13 HH22 ARG 1 HH22 ARG 1 15.959 -7.582 -0.470 14 HA PRO 2 HA PRO 2 8.722 -7.848 5.177 15 HB2 PRO 2 HB2 PRO 2 6.488 -6.622 6.138 16 HB3 PRO 2 HB3 PRO 2 8.096 -6.313 6.842 17 HG2 PRO 2 HG2 PRO 2 6.584 -4.680 4.815 18 HG3 PRO 2 HG3 PRO 2 7.444 -4.092 6.255 19 HD2 PRO 2 HD2 PRO 2 8.682 -3.986 3.800 20 HD3 PRO 2 HD3 PRO 2 9.545 -4.414 5.296 21 H ARG 3 H ARG 3 6.669 -9.142 4.804 22 HA ARG 3 HA ARG 3 5.883 -8.889 1.965 23 HB2 ARG 3 HB2 ARG 3 4.534 -10.802 3.881 24 HB3 ARG 3 HB3 ARG 3 4.685 -10.905 2.128 25 HG2 ARG 3 HG2 ARG 3 6.754 -11.235 4.249 26 HG3 ARG 3 HG3 ARG 3 6.138 -12.458 3.077 27 HD2 ARG 3 HD2 ARG 3 7.076 -10.962 1.238 28 HD3 ARG 3 HD3 ARG 3 7.766 -9.948 2.494 29 HE ARG 3 HE ARG 3 8.776 -12.447 1.473 30 HH11 ARG 3 HH11 ARG 3 8.825 -10.536 4.501 31 HH12 ARG 3 HH12 ARG 3 10.537 -10.478 4.572 32 HH21 ARG 3 HH21 ARG 3 10.993 -12.536 1.707 33 HH22 ARG 3 HH22 ARG 3 11.854 -11.855 3.058 34 H PHE 4 H PHE 4 4.658 -8.034 4.905 35 HA PHE 4 HA PHE 4 1.846 -8.076 4.331 36 HB2 PHE 4 HB2 PHE 4 1.398 -6.770 6.125 37 HB3 PHE 4 HB3 PHE 4 2.731 -7.779 6.649 38 HD1 PHE 4 HD2 PHE 4 1.743 -4.332 5.492 39 HD2 PHE 4 HD1 PHE 4 4.649 -6.706 7.636 40 HE1 PHE 4 HE2 PHE 4 2.915 -2.279 6.176 41 HE2 PHE 4 HE1 PHE 4 5.831 -4.645 8.308 42 HZ PHE 4 HZ PHE 4 5.012 -2.421 7.514 43 H CYS 5 H CYS 5 4.388 -5.866 3.347 44 HA CYS 5 HA CYS 5 2.320 -3.876 2.730 45 HB2 CYS 5 HB2 CYS 5 4.144 -2.523 1.725 46 HB3 CYS 5 HB3 CYS 5 4.166 -2.841 3.459 47 H GLU 6 H GLU 6 3.825 -6.457 1.120 48 HA GLU 6 HA GLU 6 3.089 -5.404 -1.578 49 HB2 GLU 6 HB2 GLU 6 4.458 -7.171 -2.480 50 HB3 GLU 6 HB3 GLU 6 5.338 -6.224 -1.254 51 HG2 GLU 6 HG2 GLU 6 5.152 -7.897 0.362 52 HG3 GLU 6 HG3 GLU 6 3.989 -8.856 -0.579 53 H LEU 7 H LEU 7 1.253 -6.637 0.654 54 HA LEU 7 HA LEU 7 0.121 -8.973 -0.592 55 HB2 LEU 7 HB2 LEU 7 -1.081 -7.044 1.432 56 HB3 LEU 7 HB3 LEU 7 -1.756 -8.623 0.978 57 HG LEU 7 HG LEU 7 0.814 -8.045 2.437 58 HD11 LEU 7 HD11 LEU 7 -1.665 -9.596 3.293 59 HD12 LEU 7 HD12 LEU 7 -1.308 -7.910 3.720 60 HD13 LEU 7 HD13 LEU 7 -0.251 -9.204 4.299 61 HD21 LEU 7 HD21 LEU 7 -0.155 -10.808 1.650 62 HD22 LEU 7 HD22 LEU 7 1.238 -10.429 2.700 63 HD23 LEU 7 HD23 LEU 7 1.300 -9.983 1.020 64 H ALA 8 H ALA 8 -2.303 -8.832 -1.091 65 HA ALA 8 HA ALA 8 -2.578 -6.904 -3.358 66 HB1 ALA 8 HB1 ALA 8 -4.372 -8.444 -4.105 67 HB2 ALA 8 HB2 ALA 8 -2.768 -9.198 -4.020 68 HB3 ALA 8 HB3 ALA 8 -3.980 -9.529 -2.747 69 HA PRO 9 HA PRO 9 -5.257 -5.064 -0.171 70 HB2 PRO 9 HB2 PRO 9 -5.835 -2.707 -1.375 71 HB3 PRO 9 HB3 PRO 9 -4.296 -3.044 -0.528 72 HG2 PRO 9 HG2 PRO 9 -4.856 -3.279 -3.510 73 HG3 PRO 9 HG3 PRO 9 -3.490 -2.462 -2.726 74 HD2 PRO 9 HD2 PRO 9 -3.212 -4.963 -3.648 75 HD3 PRO 9 HD3 PRO 9 -2.471 -4.493 -2.101 76 H SER 10 H SER 10 -7.144 -6.296 -0.212 77 HA SER 10 HA SER 10 -8.781 -6.597 -2.528 78 HB2 SER 10 HB2 SER 10 -8.457 -8.342 -0.805 79 HB3 SER 10 HB3 SER 10 -9.294 -7.337 0.378 80 HG SER 10 HG SER 10 -10.501 -8.316 -2.036 81 H ALA 11 H ALA 11 -8.837 -4.178 -2.797 82 HA ALA 11 HA ALA 11 -10.370 -2.417 -1.181 83 HB1 ALA 11 HB1 ALA 11 -9.666 -2.241 -4.125 84 HB2 ALA 11 HB2 ALA 11 -10.119 -0.886 -3.072 85 HB3 ALA 11 HB3 ALA 11 -8.589 -1.758 -2.790 86 H GLY 12 H GLY 12 -11.621 -4.987 -2.823 87 HA2 GLY 12 HA2 GLY 12 -14.074 -3.611 -3.838 88 HA3 GLY 12 HA3 GLY 12 -13.513 -5.228 -4.277 89 H SER 13 H SER 13 -12.975 -5.008 -0.984 90 HA SER 13 HA SER 13 -14.862 -6.910 -0.348 91 HB2 SER 13 HB2 SER 13 -12.708 -6.094 0.857 92 HB3 SER 13 HB3 SER 13 -13.771 -4.955 1.690 93 HG SER 13 HG SER 13 -13.912 -7.788 1.556 94 H CYS 14 H CYS 14 -15.299 -3.392 -0.158 95 HA CYS 14 HA CYS 14 -18.180 -3.703 0.045 96 HB2 CYS 14 HB2 CYS 14 -16.613 -1.993 2.027 97 HB3 CYS 14 HB3 CYS 14 -18.353 -2.011 1.810 98 H PHE 15 H PHE 15 -19.158 -1.530 -0.484 99 HA PHE 15 HA PHE 15 -17.480 -0.222 -2.527 100 HB2 PHE 15 HB2 PHE 15 -19.768 -0.848 -3.087 101 HB3 PHE 15 HB3 PHE 15 -20.379 0.057 -1.722 102 HD1 PHE 15 HD1 PHE 15 -20.160 2.676 -1.740 103 HD2 PHE 15 HD2 PHE 15 -19.322 0.204 -5.179 104 HE1 PHE 15 HE1 PHE 15 -20.140 4.664 -3.178 105 HE2 PHE 15 HE2 PHE 15 -19.533 2.176 -6.633 106 HZ PHE 15 HZ PHE 15 -19.863 4.421 -5.643 107 H ALA 16 H ALA 16 -16.116 1.260 -1.805 108 HA ALA 16 HA ALA 16 -17.066 3.520 -0.282 109 HB1 ALA 16 HB1 ALA 16 -16.386 2.149 1.583 110 HB2 ALA 16 HB2 ALA 16 -14.905 1.646 0.755 111 HB3 ALA 16 HB3 ALA 16 -15.083 3.329 1.330 112 H PHE 17 H PHE 17 -15.321 5.201 -0.274 113 HA PHE 17 HA PHE 17 -13.332 4.878 -2.470 114 HB2 PHE 17 HB2 PHE 17 -15.122 6.075 -3.505 115 HB3 PHE 17 HB3 PHE 17 -15.310 7.139 -2.101 116 HD1 PHE 17 HD2 PHE 17 -12.226 6.090 -4.053 117 HD2 PHE 17 HD1 PHE 17 -14.766 9.351 -2.778 118 HE1 PHE 17 HE2 PHE 17 -10.585 7.712 -4.919 119 HE2 PHE 17 HE1 PHE 17 -13.130 10.957 -3.694 120 HZ PHE 17 HZ PHE 17 -11.021 10.141 -4.745 121 H VAL 18 H VAL 18 -11.550 4.761 -1.108 122 HA VAL 18 HA VAL 18 -10.936 7.179 0.429 123 HB VAL 18 HB VAL 18 -10.003 5.648 2.275 124 HG11 VAL 18 HG11 VAL 18 -13.017 6.046 2.094 125 HG12 VAL 18 HG12 VAL 18 -12.024 5.946 3.558 126 HG13 VAL 18 HG13 VAL 18 -11.854 7.327 2.469 127 HG21 VAL 18 HG21 VAL 18 -12.247 3.821 1.275 128 HG22 VAL 18 HG22 VAL 18 -10.517 3.440 1.256 129 HG23 VAL 18 HG23 VAL 18 -11.355 3.654 2.800 130 HA PRO 19 HA PRO 19 -7.600 5.819 -2.310 131 HB2 PRO 19 HB2 PRO 19 -6.203 8.166 -2.531 132 HB3 PRO 19 HB3 PRO 19 -7.709 7.810 -3.442 133 HG2 PRO 19 HG2 PRO 19 -7.418 9.415 -0.896 134 HG3 PRO 19 HG3 PRO 19 -8.349 9.831 -2.370 135 HD2 PRO 19 HD2 PRO 19 -9.490 8.698 -0.141 136 HD3 PRO 19 HD3 PRO 19 -10.078 8.338 -1.801 137 H SER 20 H SER 20 -5.866 4.747 -1.591 138 HA SER 20 HA SER 20 -4.308 5.773 0.689 139 HB2 SER 20 HB2 SER 20 -5.835 4.298 1.677 140 HB3 SER 20 HB3 SER 20 -5.580 3.075 0.451 141 HG SER 20 HG SER 20 -3.572 3.954 2.268 142 H TYR 21 H TYR 21 -2.267 3.868 0.763 143 HA TYR 21 HA TYR 21 -0.964 4.315 -1.905 144 HB2 TYR 21 HB2 TYR 21 -0.025 4.802 0.868 145 HB3 TYR 21 HB3 TYR 21 1.123 4.013 -0.216 146 HD1 TYR 21 HD1 TYR 21 -0.904 7.045 0.332 147 HD2 TYR 21 HD2 TYR 21 2.203 5.211 -2.052 148 HE1 TYR 21 HE1 TYR 21 -0.433 9.186 -0.709 149 HE2 TYR 21 HE2 TYR 21 2.618 7.353 -3.155 150 HH TYR 21 HH TYR 21 0.758 10.329 -2.418 151 H TYR 22 H TYR 22 -0.013 2.776 -2.927 152 HA TYR 22 HA TYR 22 -0.117 -0.011 -1.912 153 HB2 TYR 22 HB2 TYR 22 -1.256 0.890 -4.131 154 HB3 TYR 22 HB3 TYR 22 0.350 0.979 -4.755 155 HD1 TYR 22 HD1 TYR 22 1.814 -1.216 -4.643 156 HD2 TYR 22 HD2 TYR 22 -2.484 -1.045 -4.399 157 HE1 TYR 22 HE1 TYR 22 1.724 -3.616 -5.127 158 HE2 TYR 22 HE2 TYR 22 -2.591 -3.435 -5.081 159 HH TYR 22 HH TYR 22 0.333 -5.480 -5.131 160 H TYR 23 H TYR 23 1.835 -1.030 -1.515 161 HA TYR 23 HA TYR 23 4.355 0.386 -2.172 162 HB2 TYR 23 HB2 TYR 23 4.205 -0.626 0.033 163 HB3 TYR 23 HB3 TYR 23 3.747 -2.154 -0.682 164 HD1 TYR 23 HD1 TYR 23 6.570 0.306 -1.166 165 HD2 TYR 23 HD2 TYR 23 5.356 -3.808 -0.756 166 HE1 TYR 23 HE1 TYR 23 8.906 -0.407 -1.441 167 HE2 TYR 23 HE2 TYR 23 7.735 -4.522 -0.910 168 HH TYR 23 HH TYR 23 10.315 -2.522 -0.641 169 H ASN 24 H ASN 24 5.510 0.004 -4.018 170 HA ASN 24 HA ASN 24 4.913 -2.488 -5.551 171 HB2 ASN 24 HB2 ASN 24 6.094 0.109 -6.578 172 HB3 ASN 24 HB3 ASN 24 5.874 -1.386 -7.489 173 HD21 ASN 24 HD21 ASN 24 3.344 -2.277 -7.186 174 HD22 ASN 24 HD22 ASN 24 2.193 -0.975 -7.446 175 H GLN 25 H GLN 25 6.259 -3.764 -4.401 176 HA GLN 25 HA GLN 25 8.936 -3.449 -3.729 177 HB2 GLN 25 HB2 GLN 25 8.986 -5.857 -3.528 178 HB3 GLN 25 HB3 GLN 25 7.440 -5.256 -2.955 179 HG2 GLN 25 HG2 GLN 25 7.965 -6.810 -5.490 180 HG3 GLN 25 HG3 GLN 25 7.030 -7.253 -4.061 181 HE21 GLN 25 HE21 GLN 25 4.920 -5.866 -3.700 182 HE22 GLN 25 HE22 GLN 25 4.175 -5.194 -5.135 183 H TYR 26 H TYR 26 7.533 -4.548 -6.875 184 HA TYR 26 HA TYR 26 9.964 -5.239 -8.080 185 HB2 TYR 26 HB2 TYR 26 7.420 -4.148 -9.333 186 HB3 TYR 26 HB3 TYR 26 8.747 -4.852 -10.230 187 HD1 TYR 26 HD2 TYR 26 9.491 -7.326 -8.891 188 HD2 TYR 26 HD1 TYR 26 5.577 -5.577 -9.500 189 HE1 TYR 26 HE2 TYR 26 8.474 -9.567 -8.822 190 HE2 TYR 26 HE1 TYR 26 4.552 -7.795 -9.324 191 HH TYR 26 HH TYR 26 6.538 -10.801 -9.211 192 H SER 27 H SER 27 8.477 -2.121 -7.586 193 HA SER 27 HA SER 27 10.674 -0.882 -9.199 194 HB2 SER 27 HB2 SER 27 8.277 -0.620 -9.897 195 HB3 SER 27 HB3 SER 27 8.030 0.397 -8.478 196 HG SER 27 HG SER 27 10.108 0.855 -10.366 197 H ASN 28 H ASN 28 10.210 -1.669 -6.083 198 HA ASN 28 HA ASN 28 10.850 -0.962 -4.078 199 HB2 ASN 28 HB2 ASN 28 12.993 -1.382 -5.368 200 HB3 ASN 28 HB3 ASN 28 13.072 0.340 -5.719 201 HD21 ASN 28 HD21 ASN 28 12.552 -1.716 -2.736 202 HD22 ASN 28 HD22 ASN 28 13.854 -0.877 -1.891 203 H THR 29 H THR 29 8.782 0.568 -4.913 204 HA THR 29 HA THR 29 9.259 3.086 -3.574 205 HB THR 29 HB THR 29 9.941 3.553 -5.934 206 HG1 THR 29 HG1 THR 29 9.229 5.459 -5.561 207 HG21 THR 29 HG21 THR 29 8.279 3.736 -7.695 208 HG22 THR 29 HG22 THR 29 6.994 3.137 -6.635 209 HG23 THR 29 HG23 THR 29 8.329 2.070 -7.122 210 H CYS 30 H CYS 30 6.858 4.280 -4.161 211 HA CYS 30 HA CYS 30 4.752 2.295 -3.573 212 HB2 CYS 30 HB2 CYS 30 5.903 3.672 -1.505 213 HB3 CYS 30 HB3 CYS 30 4.728 4.870 -2.063 214 H HIS 31 H HIS 31 2.654 3.170 -4.179 215 HA HIS 31 HA HIS 31 2.652 5.796 -5.492 216 HB2 HIS 31 HB2 HIS 31 3.351 3.816 -7.113 217 HB3 HIS 31 HB3 HIS 31 1.642 3.403 -7.055 218 HD1 HIS 31 HD1 HIS 31 1.099 4.167 -9.582 219 HD2 HIS 31 HD2 HIS 31 3.249 6.953 -7.259 220 HE1 HIS 31 HE1 HIS 31 1.252 6.281 -10.970 221 H SER 32 H SER 32 0.519 6.739 -5.487 222 HA SER 32 HA SER 32 -1.188 5.605 -3.501 223 HB2 SER 32 HB2 SER 32 -2.704 7.450 -4.300 224 HB3 SER 32 HB3 SER 32 -1.154 7.933 -3.604 225 HG SER 32 HG SER 32 -1.778 8.938 -5.709 226 H PHE 33 H PHE 33 -3.153 4.590 -3.719 227 HA PHE 33 HA PHE 33 -4.219 3.903 -6.351 228 HB2 PHE 33 HB2 PHE 33 -4.210 1.645 -6.110 229 HB3 PHE 33 HB3 PHE 33 -2.615 2.063 -5.530 230 HD1 PHE 33 HD2 PHE 33 -2.475 2.379 -2.884 231 HD2 PHE 33 HD1 PHE 33 -5.566 0.181 -4.896 232 HE1 PHE 33 HE2 PHE 33 -2.916 1.039 -0.793 233 HE2 PHE 33 HE1 PHE 33 -6.113 -0.978 -2.804 234 HZ PHE 33 HZ PHE 33 -4.700 -0.556 -0.709 235 H THR 34 H THR 34 -6.386 2.443 -5.618 236 HA THR 34 HA THR 34 -7.884 4.265 -3.778 237 HB THR 34 HB THR 34 -9.810 3.171 -5.171 238 HG1 THR 34 HG1 THR 34 -9.272 2.247 -6.944 239 HG21 THR 34 HG21 THR 34 -9.700 5.014 -6.787 240 HG22 THR 34 HG22 THR 34 -7.992 5.294 -6.390 241 HG23 THR 34 HG23 THR 34 -9.257 5.582 -5.172 242 H TYR 35 H TYR 35 -8.674 3.440 -1.844 243 HA TYR 35 HA TYR 35 -8.669 0.517 -1.537 244 HB2 TYR 35 HB2 TYR 35 -6.990 1.693 -0.301 245 HB3 TYR 35 HB3 TYR 35 -8.194 2.643 0.537 246 HD1 TYR 35 HD1 TYR 35 -7.106 -0.903 -0.075 247 HD2 TYR 35 HD2 TYR 35 -8.827 1.951 2.680 248 HE1 TYR 35 HE1 TYR 35 -6.960 -2.556 1.745 249 HE2 TYR 35 HE2 TYR 35 -8.818 0.275 4.442 250 HH TYR 35 HH TYR 35 -8.628 -2.827 4.210 251 H SER 36 H SER 36 -10.225 -0.055 0.585 252 HA SER 36 HA SER 36 -12.780 1.413 0.368 253 HB2 SER 36 HB2 SER 36 -13.898 -0.821 0.653 254 HB3 SER 36 HB3 SER 36 -13.071 -0.620 -0.892 255 HG SER 36 HG SER 36 -12.215 -2.132 1.384 256 H GLY 37 H GLY 37 -13.916 1.570 2.426 257 HA2 GLY 37 HA2 GLY 37 -12.390 1.756 4.736 258 HA3 GLY 37 HA3 GLY 37 -14.155 1.561 4.685 259 H CYS 38 H CYS 38 -14.660 -0.911 3.840 260 HA CYS 38 HA CYS 38 -13.610 -2.561 6.030 261 HB2 CYS 38 HB2 CYS 38 -15.515 -3.715 5.855 262 HB3 CYS 38 HB3 CYS 38 -16.086 -2.340 4.928 263 H GLY 39 H GLY 39 -12.951 -4.779 5.601 264 HA2 GLY 39 HA2 GLY 39 -11.564 -6.347 4.766 265 HA3 GLY 39 HA3 GLY 39 -12.163 -5.899 3.178 266 H GLY 40 H GLY 40 -10.351 -6.155 2.088 267 HA2 GLY 40 HA2 GLY 40 -8.506 -5.214 1.031 268 HA3 GLY 40 HA3 GLY 40 -8.354 -4.038 2.327 269 H ASN 41 H ASN 41 -6.001 -4.756 1.932 270 HA ASN 41 HA ASN 41 -5.343 -6.872 3.907 271 HB2 ASN 41 HB2 ASN 41 -4.271 -6.746 1.070 272 HB3 ASN 41 HB3 ASN 41 -3.256 -7.293 2.369 273 HD21 ASN 41 HD21 ASN 41 -5.468 -8.494 0.154 274 HD22 ASN 41 HD22 ASN 41 -5.869 -9.981 0.977 275 H ALA 42 H ALA 42 -3.020 -6.698 4.554 276 HA ALA 42 HA ALA 42 -2.552 -4.204 5.688 277 HB1 ALA 42 HB1 ALA 42 -1.728 -6.308 6.584 278 HB2 ALA 42 HB2 ALA 42 -0.580 -6.449 5.225 279 HB3 ALA 42 HB3 ALA 42 -0.413 -5.138 6.406 280 H ASN 43 H ASN 43 -1.940 -4.888 2.374 281 HA ASN 43 HA ASN 43 0.447 -3.476 1.867 282 HB2 ASN 43 HB2 ASN 43 -0.323 -4.697 0.085 283 HB3 ASN 43 HB3 ASN 43 -2.019 -4.304 0.381 284 HD21 ASN 43 HD21 ASN 43 0.500 -3.712 -1.778 285 HD22 ASN 43 HD22 ASN 43 -0.385 -2.452 -2.604 286 H ARG 44 H ARG 44 -2.495 -2.203 3.043 287 HA ARG 44 HA ARG 44 -2.535 0.354 1.878 288 HB2 ARG 44 HB2 ARG 44 -4.379 -0.737 3.224 289 HB3 ARG 44 HB3 ARG 44 -3.380 -0.627 4.652 290 HG2 ARG 44 HG2 ARG 44 -3.520 2.058 4.040 291 HG3 ARG 44 HG3 ARG 44 -5.051 1.503 3.387 292 HD2 ARG 44 HD2 ARG 44 -4.083 1.126 6.178 293 HD3 ARG 44 HD3 ARG 44 -5.265 2.317 5.574 294 HE ARG 44 HE ARG 44 -6.081 -0.210 4.681 295 HH11 ARG 44 HH11 ARG 44 -5.729 1.625 7.724 296 HH12 ARG 44 HH12 ARG 44 -7.157 0.966 8.485 297 HH21 ARG 44 HH21 ARG 44 -7.848 -1.322 5.894 298 HH22 ARG 44 HH22 ARG 44 -8.306 -0.741 7.481 299 H PHE 45 H PHE 45 -1.681 2.203 2.291 300 HA PHE 45 HA PHE 45 -0.244 2.854 4.778 301 HB2 PHE 45 HB2 PHE 45 0.862 3.099 1.962 302 HB3 PHE 45 HB3 PHE 45 1.467 4.089 3.294 303 HD1 PHE 45 HD1 PHE 45 2.350 2.905 5.391 304 HD2 PHE 45 HD2 PHE 45 1.589 0.879 1.659 305 HE1 PHE 45 HE1 PHE 45 3.633 0.964 6.189 306 HE2 PHE 45 HE2 PHE 45 2.932 -1.000 2.398 307 HZ PHE 45 HZ PHE 45 4.033 -0.980 4.672 308 H ARG 46 H ARG 46 -0.045 5.179 5.079 309 HA ARG 46 HA ARG 46 -2.298 6.680 3.817 310 HB2 ARG 46 HB2 ARG 46 -1.752 8.319 5.801 311 HB3 ARG 46 HB3 ARG 46 -2.791 6.934 5.986 312 HG2 ARG 46 HG2 ARG 46 -1.255 7.290 7.875 313 HG3 ARG 46 HG3 ARG 46 -1.185 5.685 7.174 314 HD2 ARG 46 HD2 ARG 46 1.013 6.353 7.755 315 HD3 ARG 46 HD3 ARG 46 0.959 6.360 6.015 316 HE ARG 46 HE ARG 46 0.949 8.736 5.961 317 HH11 ARG 46 HH11 ARG 46 2.029 7.248 9.051 318 HH12 ARG 46 HH12 ARG 46 2.434 8.748 9.762 319 HH21 ARG 46 HH21 ARG 46 1.810 10.716 6.901 320 HH22 ARG 46 HH22 ARG 46 2.802 10.532 8.327 321 H THR 47 H THR 47 1.097 6.381 3.689 322 HA THR 47 HA THR 47 1.254 8.495 1.833 323 HB THR 47 HB THR 47 1.461 9.737 4.033 324 HG1 THR 47 HG1 THR 47 2.410 10.701 2.354 325 HG21 THR 47 HG21 THR 47 4.126 8.324 4.216 326 HG22 THR 47 HG22 THR 47 2.758 7.727 5.080 327 HG23 THR 47 HG23 THR 47 3.386 9.375 5.431 328 H ILE 48 H ILE 48 3.320 8.605 0.740 329 HA ILE 48 HA ILE 48 4.517 5.998 0.413 330 HB ILE 48 HB ILE 48 4.322 7.341 -1.519 331 HG12 ILE 48 HG12 ILE 48 7.271 7.374 -0.755 332 HG13 ILE 48 HG13 ILE 48 6.396 5.937 -1.206 333 HG21 ILE 48 HG21 ILE 48 5.973 9.524 -0.174 334 HG22 ILE 48 HG22 ILE 48 5.395 9.545 -1.846 335 HG23 ILE 48 HG23 ILE 48 4.232 9.618 -0.537 336 HD11 ILE 48 HD11 ILE 48 7.546 6.671 -3.164 337 HD12 ILE 48 HD12 ILE 48 5.831 7.044 -3.426 338 HD13 ILE 48 HD13 ILE 48 6.966 8.333 -2.989 339 H ASP 49 H ASP 49 5.169 8.896 2.341 340 HA ASP 49 HA ASP 49 7.917 8.574 2.870 341 HB2 ASP 49 HB2 ASP 49 5.697 9.809 4.524 342 HB3 ASP 49 HB3 ASP 49 7.376 9.782 5.023 343 H GLU 50 H GLU 50 5.093 6.928 4.235 344 HA GLU 50 HA GLU 50 6.619 5.618 6.385 345 HB2 GLU 50 HB2 GLU 50 3.763 5.414 5.353 346 HB3 GLU 50 HB3 GLU 50 4.384 4.400 6.668 347 HG2 GLU 50 HG2 GLU 50 4.765 7.393 6.929 348 HG3 GLU 50 HG3 GLU 50 3.153 6.736 7.043 349 H CYS 51 H CYS 51 4.836 4.813 3.398 350 HA CYS 51 HA CYS 51 5.323 2.100 3.295 351 HB2 CYS 51 HB2 CYS 51 3.768 3.374 1.906 352 HB3 CYS 51 HB3 CYS 51 5.129 4.164 1.099 353 H ASN 52 H ASN 52 7.408 4.767 2.082 354 HA ASN 52 HA ASN 52 9.314 2.926 1.033 355 HB2 ASN 52 HB2 ASN 52 10.470 4.663 0.131 356 HB3 ASN 52 HB3 ASN 52 8.850 5.314 0.168 357 HD21 ASN 52 HD21 ASN 52 8.669 7.313 1.030 358 HD22 ASN 52 HD22 ASN 52 9.955 8.156 1.857 359 H ARG 53 H ARG 53 9.430 5.132 3.855 360 HA ARG 53 HA ARG 53 11.849 4.124 4.786 361 HB2 ARG 53 HB2 ARG 53 11.530 5.253 6.768 362 HB3 ARG 53 HB3 ARG 53 10.486 6.134 5.648 363 HG2 ARG 53 HG2 ARG 53 8.566 4.767 6.574 364 HG3 ARG 53 HG3 ARG 53 9.661 4.147 7.802 365 HD2 ARG 53 HD2 ARG 53 8.890 7.061 7.350 366 HD3 ARG 53 HD3 ARG 53 8.299 6.010 8.654 367 HE ARG 53 HE ARG 53 11.095 6.004 8.853 368 HH11 ARG 53 HH11 ARG 53 8.489 8.426 9.275 369 HH12 ARG 53 HH12 ARG 53 9.553 9.596 9.955 370 HH21 ARG 53 HH21 ARG 53 12.371 7.386 9.920 371 HH22 ARG 53 HH22 ARG 53 11.793 8.848 10.682 372 H THR 54 H THR 54 8.796 2.480 5.016 373 HA THR 54 HA THR 54 9.867 0.486 6.888 374 HB THR 54 HB THR 54 7.616 1.831 6.897 375 HG1 THR 54 HG1 THR 54 6.826 0.491 8.263 376 HG21 THR 54 HG21 THR 54 6.835 0.807 4.686 377 HG22 THR 54 HG22 THR 54 5.739 0.792 6.056 378 HG23 THR 54 HG23 THR 54 6.597 -0.707 5.604 379 H CYS 55 H CYS 55 9.180 0.662 3.365 380 HA CYS 55 HA CYS 55 9.907 -2.233 3.222 381 HB2 CYS 55 HB2 CYS 55 7.819 -0.819 1.526 382 HB3 CYS 55 HB3 CYS 55 8.340 -2.498 1.409 383 H VAL 56 H VAL 56 10.594 0.914 1.994 384 HA VAL 56 HA VAL 56 11.782 -0.177 -0.505 385 HB VAL 56 HB VAL 56 11.522 2.615 0.583 386 HG11 VAL 56 HG11 VAL 56 13.648 2.483 -0.681 387 HG12 VAL 56 HG12 VAL 56 12.719 1.900 -2.084 388 HG13 VAL 56 HG13 VAL 56 12.421 3.519 -1.390 389 HG21 VAL 56 HG21 VAL 56 9.472 1.513 -0.444 390 HG22 VAL 56 HG22 VAL 56 10.045 2.886 -1.400 391 HG23 VAL 56 HG23 VAL 56 10.416 1.225 -1.901 392 H GLY 57 H GLY 57 13.186 -1.644 0.396 393 HA2 GLY 57 HA2 GLY 57 15.772 -1.289 0.622 394 HA3 GLY 57 HA3 GLY 57 15.291 -0.729 2.237 Start of MODEL 18 1 H1 ARG 1 H ARG 1 12.916 -5.159 2.644 2 HA ARG 1 HA ARG 1 10.756 -4.369 3.180 3 HB2 ARG 1 HB2 ARG 1 9.443 -4.904 1.089 4 HB3 ARG 1 HB3 ARG 1 10.998 -4.137 0.931 5 HG2 ARG 1 HG2 ARG 1 11.269 -7.055 0.619 6 HG3 ARG 1 HG3 ARG 1 10.090 -6.362 -0.463 7 HD2 ARG 1 HD2 ARG 1 12.241 -6.360 -1.580 8 HD3 ARG 1 HD3 ARG 1 11.679 -4.729 -1.328 9 HE ARG 1 HE ARG 1 13.443 -4.246 0.036 10 HH11 ARG 1 HH11 ARG 1 13.652 -7.720 -0.803 11 HH12 ARG 1 HH12 ARG 1 15.300 -7.835 -0.243 12 HH21 ARG 1 HH21 ARG 1 15.580 -4.390 0.491 13 HH22 ARG 1 HH22 ARG 1 16.426 -5.923 0.477 14 HA PRO 2 HA PRO 2 8.856 -7.564 5.557 15 HB2 PRO 2 HB2 PRO 2 6.637 -6.255 6.477 16 HB3 PRO 2 HB3 PRO 2 8.284 -5.987 7.119 17 HG2 PRO 2 HG2 PRO 2 6.831 -4.398 5.002 18 HG3 PRO 2 HG3 PRO 2 7.652 -3.782 6.457 19 HD2 PRO 2 HD2 PRO 2 8.966 -3.778 4.075 20 HD3 PRO 2 HD3 PRO 2 9.828 -4.302 5.553 21 H ARG 3 H ARG 3 7.380 -9.122 5.198 22 HA ARG 3 HA ARG 3 6.313 -9.366 2.617 23 HB2 ARG 3 HB2 ARG 3 5.559 -11.465 3.211 24 HB3 ARG 3 HB3 ARG 3 6.998 -11.193 4.167 25 HG2 ARG 3 HG2 ARG 3 5.618 -12.243 5.662 26 HG3 ARG 3 HG3 ARG 3 5.400 -10.552 6.106 27 HD2 ARG 3 HD2 ARG 3 3.354 -11.922 6.152 28 HD3 ARG 3 HD3 ARG 3 3.200 -10.522 5.107 29 HE ARG 3 HE ARG 3 3.862 -12.249 3.235 30 HH11 ARG 3 HH11 ARG 3 1.851 -13.148 6.024 31 HH12 ARG 3 HH12 ARG 3 0.646 -13.928 5.043 32 HH21 ARG 3 HH21 ARG 3 2.488 -13.408 2.049 33 HH22 ARG 3 HH22 ARG 3 1.096 -14.229 2.681 34 H PHE 4 H PHE 4 4.808 -7.820 5.387 35 HA PHE 4 HA PHE 4 2.130 -8.268 4.372 36 HB2 PHE 4 HB2 PHE 4 1.385 -6.835 6.064 37 HB3 PHE 4 HB3 PHE 4 2.736 -7.715 6.744 38 HD1 PHE 4 HD2 PHE 4 1.742 -4.454 5.209 39 HD2 PHE 4 HD1 PHE 4 4.584 -6.561 7.677 40 HE1 PHE 4 HE2 PHE 4 2.740 -2.310 5.906 41 HE2 PHE 4 HE1 PHE 4 5.649 -4.409 8.275 42 HZ PHE 4 HZ PHE 4 4.754 -2.279 7.365 43 H CYS 5 H CYS 5 4.711 -6.070 3.498 44 HA CYS 5 HA CYS 5 3.105 -4.019 2.340 45 HB2 CYS 5 HB2 CYS 5 5.692 -4.389 3.215 46 HB3 CYS 5 HB3 CYS 5 5.948 -4.567 1.497 47 H GLU 6 H GLU 6 4.001 -7.196 1.223 48 HA GLU 6 HA GLU 6 3.706 -6.279 -1.623 49 HB2 GLU 6 HB2 GLU 6 4.877 -8.168 -2.284 50 HB3 GLU 6 HB3 GLU 6 5.699 -7.537 -0.862 51 HG2 GLU 6 HG2 GLU 6 3.875 -9.417 0.199 52 HG3 GLU 6 HG3 GLU 6 4.322 -10.143 -1.328 53 H LEU 7 H LEU 7 1.549 -7.106 0.535 54 HA LEU 7 HA LEU 7 0.146 -9.263 -0.793 55 HB2 LEU 7 HB2 LEU 7 -0.889 -7.357 1.302 56 HB3 LEU 7 HB3 LEU 7 -1.528 -8.964 0.893 57 HG LEU 7 HG LEU 7 1.140 -8.351 2.230 58 HD11 LEU 7 HD11 LEU 7 -1.347 -9.712 3.323 59 HD12 LEU 7 HD12 LEU 7 -0.822 -8.055 3.692 60 HD13 LEU 7 HD13 LEU 7 0.170 -9.441 4.197 61 HD21 LEU 7 HD21 LEU 7 1.370 -10.396 0.888 62 HD22 LEU 7 HD22 LEU 7 -0.046 -11.086 1.740 63 HD23 LEU 7 HD23 LEU 7 1.459 -10.684 2.626 64 H ALA 8 H ALA 8 -2.320 -8.934 -1.301 65 HA ALA 8 HA ALA 8 -2.531 -6.745 -3.282 66 HB1 ALA 8 HB1 ALA 8 -4.425 -8.099 -4.095 67 HB2 ALA 8 HB2 ALA 8 -2.847 -8.917 -4.195 68 HB3 ALA 8 HB3 ALA 8 -4.010 -9.341 -2.915 69 HA PRO 9 HA PRO 9 -5.390 -5.104 -0.095 70 HB2 PRO 9 HB2 PRO 9 -5.256 -2.487 -0.681 71 HB3 PRO 9 HB3 PRO 9 -3.846 -3.347 -0.008 72 HG2 PRO 9 HG2 PRO 9 -4.401 -2.701 -2.930 73 HG3 PRO 9 HG3 PRO 9 -2.890 -2.442 -2.005 74 HD2 PRO 9 HD2 PRO 9 -3.428 -4.670 -3.589 75 HD3 PRO 9 HD3 PRO 9 -2.304 -4.694 -2.208 76 H SER 10 H SER 10 -6.925 -6.481 -1.346 77 HA SER 10 HA SER 10 -8.480 -5.594 -3.507 78 HB2 SER 10 HB2 SER 10 -8.512 -7.930 -2.593 79 HB3 SER 10 HB3 SER 10 -9.467 -7.360 -1.224 80 HG SER 10 HG SER 10 -10.229 -8.040 -3.699 81 H ALA 11 H ALA 11 -9.477 -3.664 -3.546 82 HA ALA 11 HA ALA 11 -10.481 -2.410 -1.118 83 HB1 ALA 11 HB1 ALA 11 -9.512 -1.076 -2.946 84 HB2 ALA 11 HB2 ALA 11 -10.851 -1.595 -4.006 85 HB3 ALA 11 HB3 ALA 11 -11.182 -0.589 -2.586 86 H GLY 12 H GLY 12 -11.752 -4.683 -3.354 87 HA2 GLY 12 HA2 GLY 12 -14.509 -3.940 -3.235 88 HA3 GLY 12 HA3 GLY 12 -13.862 -5.510 -3.692 89 H SER 13 H SER 13 -12.619 -5.143 -0.639 90 HA SER 13 HA SER 13 -14.308 -7.037 0.493 91 HB2 SER 13 HB2 SER 13 -12.512 -5.002 1.846 92 HB3 SER 13 HB3 SER 13 -13.226 -6.412 2.642 93 HG SER 13 HG SER 13 -11.260 -7.061 1.976 94 H CYS 14 H CYS 14 -14.755 -3.506 0.519 95 HA CYS 14 HA CYS 14 -17.481 -3.708 1.499 96 HB2 CYS 14 HB2 CYS 14 -15.296 -2.213 2.994 97 HB3 CYS 14 HB3 CYS 14 -17.013 -1.929 3.210 98 H PHE 15 H PHE 15 -18.608 -1.814 0.616 99 HA PHE 15 HA PHE 15 -16.995 -0.498 -1.457 100 HB2 PHE 15 HB2 PHE 15 -19.235 -1.400 -1.894 101 HB3 PHE 15 HB3 PHE 15 -19.915 -0.310 -0.712 102 HD1 PHE 15 HD1 PHE 15 -19.634 2.349 -1.224 103 HD2 PHE 15 HD2 PHE 15 -19.087 -0.787 -4.136 104 HE1 PHE 15 HE1 PHE 15 -19.832 3.978 -3.008 105 HE2 PHE 15 HE2 PHE 15 -19.495 0.855 -5.951 106 HZ PHE 15 HZ PHE 15 -19.846 3.251 -5.400 107 H ALA 16 H ALA 16 -15.751 1.125 -0.837 108 HA ALA 16 HA ALA 16 -16.922 3.544 0.248 109 HB1 ALA 16 HB1 ALA 16 -15.239 3.815 2.022 110 HB2 ALA 16 HB2 ALA 16 -16.266 2.409 2.332 111 HB3 ALA 16 HB3 ALA 16 -14.634 2.170 1.725 112 H PHE 17 H PHE 17 -15.261 5.361 -0.003 113 HA PHE 17 HA PHE 17 -13.137 4.661 -1.980 114 HB2 PHE 17 HB2 PHE 17 -15.151 5.585 -3.060 115 HB3 PHE 17 HB3 PHE 17 -14.950 7.068 -2.121 116 HD1 PHE 17 HD2 PHE 17 -11.683 5.759 -3.164 117 HD2 PHE 17 HD1 PHE 17 -15.149 7.942 -4.578 118 HE1 PHE 17 HE2 PHE 17 -10.326 6.826 -4.887 119 HE2 PHE 17 HE1 PHE 17 -13.744 8.927 -6.380 120 HZ PHE 17 HZ PHE 17 -11.327 8.389 -6.510 121 H VAL 18 H VAL 18 -11.339 4.891 -0.810 122 HA VAL 18 HA VAL 18 -10.721 7.516 0.351 123 HB VAL 18 HB VAL 18 -9.592 6.288 2.272 124 HG11 VAL 18 HG11 VAL 18 -12.647 6.323 2.188 125 HG12 VAL 18 HG12 VAL 18 -11.611 6.467 3.630 126 HG13 VAL 18 HG13 VAL 18 -11.626 7.755 2.415 127 HG21 VAL 18 HG21 VAL 18 -10.660 4.211 3.068 128 HG22 VAL 18 HG22 VAL 18 -11.659 4.145 1.609 129 HG23 VAL 18 HG23 VAL 18 -9.899 3.930 1.498 130 HA PRO 19 HA PRO 19 -7.522 6.096 -2.575 131 HB2 PRO 19 HB2 PRO 19 -6.197 8.480 -2.898 132 HB3 PRO 19 HB3 PRO 19 -7.693 8.037 -3.776 133 HG2 PRO 19 HG2 PRO 19 -7.435 9.719 -1.272 134 HG3 PRO 19 HG3 PRO 19 -8.391 10.049 -2.744 135 HD2 PRO 19 HD2 PRO 19 -9.527 8.984 -0.528 136 HD3 PRO 19 HD3 PRO 19 -10.023 8.430 -2.155 137 H SER 20 H SER 20 -5.993 4.878 -1.659 138 HA SER 20 HA SER 20 -4.383 5.998 0.561 139 HB2 SER 20 HB2 SER 20 -5.227 3.111 0.348 140 HB3 SER 20 HB3 SER 20 -4.397 3.924 1.675 141 HG SER 20 HG SER 20 -7.003 4.543 0.727 142 H TYR 21 H TYR 21 -2.242 4.143 0.661 143 HA TYR 21 HA TYR 21 -1.034 4.502 -2.060 144 HB2 TYR 21 HB2 TYR 21 -0.024 4.953 0.697 145 HB3 TYR 21 HB3 TYR 21 1.101 4.315 -0.461 146 HD1 TYR 21 HD2 TYR 21 1.874 5.606 -2.489 147 HD2 TYR 21 HD1 TYR 21 -0.665 7.244 0.622 148 HE1 TYR 21 HE2 TYR 21 2.296 7.885 -3.319 149 HE2 TYR 21 HE1 TYR 21 -0.104 9.505 -0.105 150 HH TYR 21 HH TYR 21 1.556 10.748 -1.456 151 H TYR 22 H TYR 22 0.029 2.928 -3.024 152 HA TYR 22 HA TYR 22 -0.086 0.139 -2.025 153 HB2 TYR 22 HB2 TYR 22 -1.292 1.072 -4.253 154 HB3 TYR 22 HB3 TYR 22 0.324 1.106 -4.888 155 HD1 TYR 22 HD1 TYR 22 1.686 -1.117 -4.936 156 HD2 TYR 22 HD2 TYR 22 -2.583 -0.861 -4.404 157 HE1 TYR 22 HE1 TYR 22 1.531 -3.494 -5.388 158 HE2 TYR 22 HE2 TYR 22 -2.786 -3.243 -5.047 159 HH TYR 22 HH TYR 22 0.067 -5.384 -5.278 160 H TYR 23 H TYR 23 1.864 -1.102 -2.363 161 HA TYR 23 HA TYR 23 4.401 0.434 -2.861 162 HB2 TYR 23 HB2 TYR 23 4.326 -0.257 -0.600 163 HB3 TYR 23 HB3 TYR 23 3.755 -1.861 -1.034 164 HD1 TYR 23 HD1 TYR 23 6.788 0.366 -1.451 165 HD2 TYR 23 HD2 TYR 23 5.236 -3.638 -1.242 166 HE1 TYR 23 HE1 TYR 23 9.084 -0.525 -1.327 167 HE2 TYR 23 HE2 TYR 23 7.521 -4.520 -0.956 168 HH TYR 23 HH TYR 23 10.401 -2.530 -0.806 169 H ASN 24 H ASN 24 5.676 -0.170 -4.527 170 HA ASN 24 HA ASN 24 5.147 -2.756 -5.920 171 HB2 ASN 24 HB2 ASN 24 5.878 -0.052 -7.103 172 HB3 ASN 24 HB3 ASN 24 5.961 -1.586 -7.969 173 HD21 ASN 24 HD21 ASN 24 4.465 0.420 -9.046 174 HD22 ASN 24 HD22 ASN 24 2.752 0.005 -8.943 175 H GLN 25 H GLN 25 6.750 -3.786 -4.712 176 HA GLN 25 HA GLN 25 9.346 -2.839 -4.182 177 HB2 GLN 25 HB2 GLN 25 9.906 -5.002 -3.483 178 HB3 GLN 25 HB3 GLN 25 8.238 -4.753 -3.038 179 HG2 GLN 25 HG2 GLN 25 9.260 -6.515 -5.251 180 HG3 GLN 25 HG3 GLN 25 8.564 -7.006 -3.716 181 HE21 GLN 25 HE21 GLN 25 6.104 -5.238 -3.705 182 HE22 GLN 25 HE22 GLN 25 5.205 -5.714 -5.106 183 H TYR 26 H TYR 26 7.993 -4.341 -7.090 184 HA TYR 26 HA TYR 26 10.281 -5.138 -8.439 185 HB2 TYR 26 HB2 TYR 26 7.940 -3.643 -9.676 186 HB3 TYR 26 HB3 TYR 26 9.015 -4.766 -10.489 187 HD1 TYR 26 HD2 TYR 26 9.033 -7.243 -9.397 188 HD2 TYR 26 HD1 TYR 26 5.817 -4.382 -9.046 189 HE1 TYR 26 HE2 TYR 26 7.411 -9.098 -9.061 190 HE2 TYR 26 HE1 TYR 26 4.236 -6.211 -8.612 191 HH TYR 26 HH TYR 26 5.162 -9.674 -8.704 192 H SER 27 H SER 27 8.851 -1.947 -8.090 193 HA SER 27 HA SER 27 11.063 -0.650 -9.595 194 HB2 SER 27 HB2 SER 27 8.661 -0.399 -10.295 195 HB3 SER 27 HB3 SER 27 8.342 0.415 -8.765 196 HG SER 27 HG SER 27 8.756 1.742 -10.657 197 H ASN 28 H ASN 28 10.650 -1.551 -6.491 198 HA ASN 28 HA ASN 28 11.191 -0.771 -4.445 199 HB2 ASN 28 HB2 ASN 28 13.413 -1.029 -5.457 200 HB3 ASN 28 HB3 ASN 28 13.306 0.558 -6.207 201 HD21 ASN 28 HD21 ASN 28 13.240 -0.907 -2.840 202 HD22 ASN 28 HD22 ASN 28 14.202 0.427 -2.215 203 H THR 29 H THR 29 8.942 0.555 -5.365 204 HA THR 29 HA THR 29 9.221 3.051 -3.923 205 HB THR 29 HB THR 29 9.924 3.598 -6.293 206 HG1 THR 29 HG1 THR 29 9.212 5.488 -5.896 207 HG21 THR 29 HG21 THR 29 8.165 3.966 -7.967 208 HG22 THR 29 HG22 THR 29 6.962 3.196 -6.937 209 HG23 THR 29 HG23 THR 29 8.320 2.247 -7.574 210 H CYS 30 H CYS 30 6.871 4.185 -4.507 211 HA CYS 30 HA CYS 30 4.732 2.202 -4.009 212 HB2 CYS 30 HB2 CYS 30 5.255 4.758 -2.463 213 HB3 CYS 30 HB3 CYS 30 3.875 3.721 -2.239 214 H HIS 31 H HIS 31 2.588 3.306 -4.293 215 HA HIS 31 HA HIS 31 2.617 5.866 -5.696 216 HB2 HIS 31 HB2 HIS 31 3.119 3.868 -7.338 217 HB3 HIS 31 HB3 HIS 31 1.433 3.441 -7.098 218 HD1 HIS 31 HD1 HIS 31 -0.088 4.657 -8.946 219 HD2 HIS 31 HD2 HIS 31 3.395 6.706 -7.764 220 HE1 HIS 31 HE1 HIS 31 -0.035 6.795 -10.328 221 H SER 32 H SER 32 0.540 6.818 -5.695 222 HA SER 32 HA SER 32 -1.230 5.840 -3.662 223 HB2 SER 32 HB2 SER 32 -2.689 7.602 -4.354 224 HB3 SER 32 HB3 SER 32 -1.040 8.214 -4.174 225 HG SER 32 HG SER 32 -0.812 8.389 -6.378 226 H PHE 33 H PHE 33 -3.236 4.778 -3.841 227 HA PHE 33 HA PHE 33 -4.251 3.975 -6.466 228 HB2 PHE 33 HB2 PHE 33 -4.274 1.705 -6.178 229 HB3 PHE 33 HB3 PHE 33 -2.672 2.134 -5.628 230 HD1 PHE 33 HD2 PHE 33 -2.499 2.502 -2.984 231 HD2 PHE 33 HD1 PHE 33 -5.585 0.223 -4.912 232 HE1 PHE 33 HE2 PHE 33 -3.048 1.369 -0.812 233 HE2 PHE 33 HE1 PHE 33 -6.127 -0.871 -2.762 234 HZ PHE 33 HZ PHE 33 -4.813 -0.237 -0.682 235 H THR 34 H THR 34 -6.440 2.573 -5.767 236 HA THR 34 HA THR 34 -7.848 4.456 -3.881 237 HB THR 34 HB THR 34 -9.905 3.867 -5.101 238 HG1 THR 34 HG1 THR 34 -9.806 2.289 -6.375 239 HG21 THR 34 HG21 THR 34 -8.500 5.893 -5.601 240 HG22 THR 34 HG22 THR 34 -9.465 5.326 -6.980 241 HG23 THR 34 HG23 THR 34 -7.722 5.005 -6.905 242 H TYR 35 H TYR 35 -8.767 3.714 -1.980 243 HA TYR 35 HA TYR 35 -9.030 0.811 -1.728 244 HB2 TYR 35 HB2 TYR 35 -6.945 1.506 -0.800 245 HB3 TYR 35 HB3 TYR 35 -7.755 2.659 0.256 246 HD1 TYR 35 HD1 TYR 35 -7.076 -0.975 -0.500 247 HD2 TYR 35 HD2 TYR 35 -8.586 1.902 2.381 248 HE1 TYR 35 HE1 TYR 35 -6.662 -2.572 1.341 249 HE2 TYR 35 HE2 TYR 35 -8.250 0.276 4.184 250 HH TYR 35 HH TYR 35 -7.543 -1.957 4.714 251 H SER 36 H SER 36 -10.257 0.387 0.471 252 HA SER 36 HA SER 36 -12.487 2.251 0.993 253 HB2 SER 36 HB2 SER 36 -12.674 -0.749 0.488 254 HB3 SER 36 HB3 SER 36 -14.020 0.360 0.734 255 HG SER 36 HG SER 36 -13.485 1.367 -1.244 256 H GLY 37 H GLY 37 -13.240 2.072 3.249 257 HA2 GLY 37 HA2 GLY 37 -11.776 1.831 5.334 258 HA3 GLY 37 HA3 GLY 37 -13.421 1.232 5.374 259 H CYS 38 H CYS 38 -13.552 -1.191 4.583 260 HA CYS 38 HA CYS 38 -12.214 -2.833 6.457 261 HB2 CYS 38 HB2 CYS 38 -13.565 -3.693 3.877 262 HB3 CYS 38 HB3 CYS 38 -13.202 -4.727 5.256 263 H GLY 39 H GLY 39 -11.822 -3.121 2.896 264 HA2 GLY 39 HA2 GLY 39 -10.127 -3.662 1.565 265 HA3 GLY 39 HA3 GLY 39 -8.992 -3.296 2.875 266 H GLY 40 H GLY 40 -8.608 -5.114 0.917 267 HA2 GLY 40 HA2 GLY 40 -9.181 -7.825 1.729 268 HA3 GLY 40 HA3 GLY 40 -8.175 -7.287 0.388 269 H ASN 41 H ASN 41 -6.065 -5.927 1.479 270 HA ASN 41 HA ASN 41 -4.994 -7.528 3.699 271 HB2 ASN 41 HB2 ASN 41 -3.669 -7.361 0.961 272 HB3 ASN 41 HB3 ASN 41 -2.867 -7.895 2.413 273 HD21 ASN 41 HD21 ASN 41 -3.881 -9.795 3.629 274 HD22 ASN 41 HD22 ASN 41 -4.384 -11.124 2.592 275 H ALA 42 H ALA 42 -2.953 -6.956 4.417 276 HA ALA 42 HA ALA 42 -2.783 -4.392 5.329 277 HB1 ALA 42 HB1 ALA 42 -0.661 -5.082 6.280 278 HB2 ALA 42 HB2 ALA 42 -1.792 -6.456 6.325 279 HB3 ALA 42 HB3 ALA 42 -0.507 -6.376 5.082 280 H ASN 43 H ASN 43 -1.815 -5.142 2.136 281 HA ASN 43 HA ASN 43 0.541 -3.508 1.945 282 HB2 ASN 43 HB2 ASN 43 0.014 -5.114 0.233 283 HB3 ASN 43 HB3 ASN 43 -1.502 -4.284 -0.159 284 HD21 ASN 43 HD21 ASN 43 -0.964 -3.713 -2.443 285 HD22 ASN 43 HD22 ASN 43 0.444 -2.755 -2.750 286 H ARG 44 H ARG 44 -2.710 -2.573 2.589 287 HA ARG 44 HA ARG 44 -2.491 -0.020 1.139 288 HB2 ARG 44 HB2 ARG 44 -4.645 -0.850 1.652 289 HB3 ARG 44 HB3 ARG 44 -4.335 -0.912 3.387 290 HG2 ARG 44 HG2 ARG 44 -4.031 1.729 1.948 291 HG3 ARG 44 HG3 ARG 44 -5.641 1.137 2.171 292 HD2 ARG 44 HD2 ARG 44 -3.675 1.748 4.393 293 HD3 ARG 44 HD3 ARG 44 -5.092 2.694 3.939 294 HE ARG 44 HE ARG 44 -5.814 -0.011 4.567 295 HH11 ARG 44 HH11 ARG 44 -4.635 2.877 6.287 296 HH12 ARG 44 HH12 ARG 44 -5.617 2.615 7.677 297 HH21 ARG 44 HH21 ARG 44 -7.090 -0.394 6.536 298 HH22 ARG 44 HH22 ARG 44 -6.936 0.739 7.831 299 H PHE 45 H PHE 45 -1.432 1.770 1.674 300 HA PHE 45 HA PHE 45 -0.543 2.223 4.478 301 HB2 PHE 45 HB2 PHE 45 0.916 2.423 1.875 302 HB3 PHE 45 HB3 PHE 45 1.152 3.771 2.972 303 HD1 PHE 45 HD2 PHE 45 1.391 0.083 2.700 304 HD2 PHE 45 HD1 PHE 45 2.388 3.550 5.052 305 HE1 PHE 45 HE2 PHE 45 2.905 -1.285 4.039 306 HE2 PHE 45 HE1 PHE 45 3.802 2.129 6.522 307 HZ PHE 45 HZ PHE 45 4.041 -0.294 6.040 308 H ARG 46 H ARG 46 -0.201 4.594 4.904 309 HA ARG 46 HA ARG 46 -2.496 6.151 3.826 310 HB2 ARG 46 HB2 ARG 46 -2.242 7.434 6.011 311 HB3 ARG 46 HB3 ARG 46 -2.939 5.832 6.049 312 HG2 ARG 46 HG2 ARG 46 -1.461 6.275 7.952 313 HG3 ARG 46 HG3 ARG 46 -0.995 4.855 7.039 314 HD2 ARG 46 HD2 ARG 46 0.930 6.127 7.815 315 HD3 ARG 46 HD3 ARG 46 0.894 6.035 6.064 316 HE ARG 46 HE ARG 46 0.287 8.330 5.899 317 HH11 ARG 46 HH11 ARG 46 1.406 7.385 9.180 318 HH12 ARG 46 HH12 ARG 46 1.835 8.996 9.570 319 HH21 ARG 46 HH21 ARG 46 0.412 10.480 6.647 320 HH22 ARG 46 HH22 ARG 46 1.219 10.798 8.123 321 H THR 47 H THR 47 0.922 6.031 3.689 322 HA THR 47 HA THR 47 0.937 8.427 2.219 323 HB THR 47 HB THR 47 1.042 9.380 4.568 324 HG1 THR 47 HG1 THR 47 2.662 10.794 4.059 325 HG21 THR 47 HG21 THR 47 2.594 7.482 5.439 326 HG22 THR 47 HG22 THR 47 3.026 9.156 5.894 327 HG23 THR 47 HG23 THR 47 3.871 8.323 4.597 328 H ILE 48 H ILE 48 2.855 8.652 1.018 329 HA ILE 48 HA ILE 48 4.143 6.190 0.556 330 HB ILE 48 HB ILE 48 3.905 7.539 -1.328 331 HG12 ILE 48 HG12 ILE 48 6.856 7.663 -0.557 332 HG13 ILE 48 HG13 ILE 48 6.017 6.271 -1.161 333 HG21 ILE 48 HG21 ILE 48 3.636 9.762 -0.276 334 HG22 ILE 48 HG22 ILE 48 5.373 9.804 0.083 335 HG23 ILE 48 HG23 ILE 48 4.791 9.831 -1.589 336 HD11 ILE 48 HD11 ILE 48 7.199 7.237 -2.999 337 HD12 ILE 48 HD12 ILE 48 5.466 7.491 -3.279 338 HD13 ILE 48 HD13 ILE 48 6.491 8.833 -2.713 339 H ASP 49 H ASP 49 4.780 8.922 2.658 340 HA ASP 49 HA ASP 49 7.579 8.591 3.005 341 HB2 ASP 49 HB2 ASP 49 5.544 9.721 4.947 342 HB3 ASP 49 HB3 ASP 49 7.297 9.789 5.121 343 H GLU 50 H GLU 50 4.848 6.856 4.471 344 HA GLU 50 HA GLU 50 6.621 5.561 6.430 345 HB2 GLU 50 HB2 GLU 50 3.628 5.440 5.941 346 HB3 GLU 50 HB3 GLU 50 4.470 4.444 7.125 347 HG2 GLU 50 HG2 GLU 50 4.416 7.491 7.118 348 HG3 GLU 50 HG3 GLU 50 3.471 6.447 8.173 349 H CYS 51 H CYS 51 4.770 4.848 3.429 350 HA CYS 51 HA CYS 51 5.208 2.047 3.517 351 HB2 CYS 51 HB2 CYS 51 4.383 2.021 1.282 352 HB3 CYS 51 HB3 CYS 51 3.622 3.441 1.988 353 H ASN 52 H ASN 52 7.104 4.762 2.158 354 HA ASN 52 HA ASN 52 9.030 3.031 1.003 355 HB2 ASN 52 HB2 ASN 52 10.040 4.825 0.046 356 HB3 ASN 52 HB3 ASN 52 8.422 5.447 0.267 357 HD21 ASN 52 HD21 ASN 52 8.294 7.406 1.223 358 HD22 ASN 52 HD22 ASN 52 9.623 8.235 2.005 359 H ARG 53 H ARG 53 9.198 5.189 3.849 360 HA ARG 53 HA ARG 53 11.685 4.227 4.641 361 HB2 ARG 53 HB2 ARG 53 11.421 5.259 6.703 362 HB3 ARG 53 HB3 ARG 53 10.306 6.148 5.649 363 HG2 ARG 53 HG2 ARG 53 8.486 4.569 6.514 364 HG3 ARG 53 HG3 ARG 53 9.631 4.036 7.745 365 HD2 ARG 53 HD2 ARG 53 8.646 6.890 7.329 366 HD3 ARG 53 HD3 ARG 53 8.130 5.754 8.590 367 HE ARG 53 HE ARG 53 10.919 5.960 8.759 368 HH11 ARG 53 HH11 ARG 53 7.925 7.714 9.576 369 HH12 ARG 53 HH12 ARG 53 8.733 8.705 10.775 370 HH21 ARG 53 HH21 ARG 53 11.948 7.335 10.177 371 HH22 ARG 53 HH22 ARG 53 11.062 8.321 11.285 372 H THR 54 H THR 54 8.686 2.379 4.975 373 HA THR 54 HA THR 54 10.062 0.472 6.771 374 HB THR 54 HB THR 54 7.795 1.492 7.210 375 HG1 THR 54 HG1 THR 54 8.493 -0.216 8.427 376 HG21 THR 54 HG21 THR 54 6.968 0.738 4.771 377 HG22 THR 54 HG22 THR 54 5.916 0.850 6.169 378 HG23 THR 54 HG23 THR 54 6.536 -0.742 5.652 379 H CYS 55 H CYS 55 9.309 0.689 3.319 380 HA CYS 55 HA CYS 55 10.187 -2.159 3.092 381 HB2 CYS 55 HB2 CYS 55 8.027 -0.912 1.384 382 HB3 CYS 55 HB3 CYS 55 8.484 -2.613 1.494 383 H VAL 56 H VAL 56 10.357 1.073 1.734 384 HA VAL 56 HA VAL 56 11.455 0.111 -0.825 385 HB VAL 56 HB VAL 56 11.108 2.860 0.363 386 HG11 VAL 56 HG11 VAL 56 13.157 3.038 -0.910 387 HG12 VAL 56 HG12 VAL 56 12.393 2.228 -2.293 388 HG13 VAL 56 HG13 VAL 56 11.831 3.827 -1.749 389 HG21 VAL 56 HG21 VAL 56 9.523 3.110 -1.526 390 HG22 VAL 56 HG22 VAL 56 9.973 1.510 -2.141 391 HG23 VAL 56 HG23 VAL 56 9.093 1.659 -0.615 392 H GLY 57 H GLY 57 13.208 -1.080 -0.535 393 HA2 GLY 57 HA2 GLY 57 15.683 -0.260 -0.423 394 HA3 GLY 57 HA3 GLY 57 15.328 -0.260 1.334 Start of MODEL 19 1 H1 ARG 1 H ARG 1 12.803 -4.909 2.586 2 HA ARG 1 HA ARG 1 10.491 -4.214 3.102 3 HB2 ARG 1 HB2 ARG 1 9.388 -5.263 1.053 4 HB3 ARG 1 HB3 ARG 1 10.746 -4.200 0.826 5 HG2 ARG 1 HG2 ARG 1 11.230 -7.183 0.842 6 HG3 ARG 1 HG3 ARG 1 10.528 -6.416 -0.562 7 HD2 ARG 1 HD2 ARG 1 13.138 -5.372 0.582 8 HD3 ARG 1 HD3 ARG 1 13.087 -6.687 -0.558 9 HE ARG 1 HE ARG 1 12.578 -3.873 -1.061 10 HH11 ARG 1 HH11 ARG 1 12.379 -7.178 -2.436 11 HH12 ARG 1 HH12 ARG 1 12.472 -6.583 -4.067 12 HH21 ARG 1 HH21 ARG 1 12.957 -3.232 -3.122 13 HH22 ARG 1 HH22 ARG 1 12.693 -4.270 -4.488 14 HA PRO 2 HA PRO 2 8.750 -7.537 5.609 15 HB2 PRO 2 HB2 PRO 2 6.531 -6.208 6.499 16 HB3 PRO 2 HB3 PRO 2 8.159 -5.885 7.153 17 HG2 PRO 2 HG2 PRO 2 6.679 -4.399 5.001 18 HG3 PRO 2 HG3 PRO 2 7.518 -3.688 6.414 19 HD2 PRO 2 HD2 PRO 2 8.788 -3.758 4.025 20 HD3 PRO 2 HD3 PRO 2 9.662 -4.169 5.518 21 H ARG 3 H ARG 3 7.316 -9.132 5.071 22 HA ARG 3 HA ARG 3 6.215 -9.058 2.469 23 HB2 ARG 3 HB2 ARG 3 5.577 -11.269 2.740 24 HB3 ARG 3 HB3 ARG 3 7.011 -11.073 3.720 25 HG2 ARG 3 HG2 ARG 3 5.777 -12.241 5.220 26 HG3 ARG 3 HG3 ARG 3 5.192 -10.632 5.663 27 HD2 ARG 3 HD2 ARG 3 3.218 -10.994 4.124 28 HD3 ARG 3 HD3 ARG 3 3.865 -12.609 3.771 29 HE ARG 3 HE ARG 3 3.488 -12.000 6.607 30 HH11 ARG 3 HH11 ARG 3 1.857 -13.353 3.690 31 HH12 ARG 3 HH12 ARG 3 0.816 -14.336 4.669 32 HH21 ARG 3 HH21 ARG 3 2.094 -13.324 7.782 33 HH22 ARG 3 HH22 ARG 3 1.281 -14.626 6.993 34 H PHE 4 H PHE 4 4.871 -7.680 5.327 35 HA PHE 4 HA PHE 4 2.117 -8.139 4.556 36 HB2 PHE 4 HB2 PHE 4 1.466 -6.770 6.266 37 HB3 PHE 4 HB3 PHE 4 2.896 -7.550 6.886 38 HD1 PHE 4 HD2 PHE 4 1.618 -4.401 5.312 39 HD2 PHE 4 HD1 PHE 4 4.642 -6.172 7.813 40 HE1 PHE 4 HE2 PHE 4 2.412 -2.159 5.912 41 HE2 PHE 4 HE1 PHE 4 5.503 -3.917 8.353 42 HZ PHE 4 HZ PHE 4 4.417 -1.891 7.384 43 H CYS 5 H CYS 5 4.623 -5.871 3.387 44 HA CYS 5 HA CYS 5 2.532 -4.191 2.238 45 HB2 CYS 5 HB2 CYS 5 4.296 -2.766 1.412 46 HB3 CYS 5 HB3 CYS 5 4.217 -2.986 3.160 47 H GLU 6 H GLU 6 3.810 -7.076 1.284 48 HA GLU 6 HA GLU 6 3.674 -6.343 -1.629 49 HB2 GLU 6 HB2 GLU 6 4.829 -8.340 -2.101 50 HB3 GLU 6 HB3 GLU 6 5.660 -7.443 -0.824 51 HG2 GLU 6 HG2 GLU 6 4.917 -8.903 0.849 52 HG3 GLU 6 HG3 GLU 6 3.894 -9.836 -0.258 53 H LEU 7 H LEU 7 1.384 -6.836 0.437 54 HA LEU 7 HA LEU 7 0.032 -9.214 -0.622 55 HB2 LEU 7 HB2 LEU 7 -1.017 -7.078 1.248 56 HB3 LEU 7 HB3 LEU 7 -1.752 -8.651 0.921 57 HG LEU 7 HG LEU 7 0.889 -8.152 2.352 58 HD11 LEU 7 HD11 LEU 7 -1.741 -9.297 3.378 59 HD12 LEU 7 HD12 LEU 7 -1.172 -7.632 3.632 60 HD13 LEU 7 HD13 LEU 7 -0.268 -8.985 4.320 61 HD21 LEU 7 HD21 LEU 7 1.187 -10.212 1.215 62 HD22 LEU 7 HD22 LEU 7 -0.438 -10.800 1.707 63 HD23 LEU 7 HD23 LEU 7 0.861 -10.563 2.901 64 H ALA 8 H ALA 8 -2.319 -8.849 -1.241 65 HA ALA 8 HA ALA 8 -2.376 -6.890 -3.482 66 HB1 ALA 8 HB1 ALA 8 -2.687 -9.235 -4.115 67 HB2 ALA 8 HB2 ALA 8 -4.019 -9.383 -2.943 68 HB3 ALA 8 HB3 ALA 8 -4.183 -8.311 -4.355 69 HA PRO 9 HA PRO 9 -5.199 -4.945 -0.582 70 HB2 PRO 9 HB2 PRO 9 -5.932 -2.704 -1.942 71 HB3 PRO 9 HB3 PRO 9 -4.330 -2.925 -1.171 72 HG2 PRO 9 HG2 PRO 9 -5.063 -3.319 -4.088 73 HG3 PRO 9 HG3 PRO 9 -3.642 -2.477 -3.392 74 HD2 PRO 9 HD2 PRO 9 -3.577 -5.084 -4.291 75 HD3 PRO 9 HD3 PRO 9 -2.533 -4.498 -2.961 76 H SER 10 H SER 10 -6.827 -6.465 -0.597 77 HA SER 10 HA SER 10 -8.726 -7.015 -2.655 78 HB2 SER 10 HB2 SER 10 -7.982 -8.588 -0.913 79 HB3 SER 10 HB3 SER 10 -8.757 -7.603 0.332 80 HG SER 10 HG SER 10 -10.727 -7.954 -0.839 81 H ALA 11 H ALA 11 -8.718 -4.184 -2.215 82 HA ALA 11 HA ALA 11 -10.640 -3.086 -0.506 83 HB1 ALA 11 HB1 ALA 11 -9.703 -2.212 -3.282 84 HB2 ALA 11 HB2 ALA 11 -10.571 -1.180 -2.142 85 HB3 ALA 11 HB3 ALA 11 -8.950 -1.778 -1.727 86 H GLY 12 H GLY 12 -11.159 -4.861 -3.532 87 HA2 GLY 12 HA2 GLY 12 -13.728 -3.805 -4.141 88 HA3 GLY 12 HA3 GLY 12 -13.086 -5.364 -4.671 89 H SER 13 H SER 13 -12.871 -5.746 -1.477 90 HA SER 13 HA SER 13 -15.005 -7.535 -1.186 91 HB2 SER 13 HB2 SER 13 -12.748 -7.293 0.075 92 HB3 SER 13 HB3 SER 13 -13.591 -6.090 1.066 93 HG SER 13 HG SER 13 -13.800 -8.838 0.907 94 H CYS 14 H CYS 14 -14.849 -4.041 -0.230 95 HA CYS 14 HA CYS 14 -17.738 -4.206 0.469 96 HB2 CYS 14 HB2 CYS 14 -15.766 -2.511 1.994 97 HB3 CYS 14 HB3 CYS 14 -17.403 -2.968 2.445 98 H PHE 15 H PHE 15 -18.766 -1.944 0.370 99 HA PHE 15 HA PHE 15 -17.461 -0.494 -1.879 100 HB2 PHE 15 HB2 PHE 15 -19.909 -0.927 -2.006 101 HB3 PHE 15 HB3 PHE 15 -20.122 -0.015 -0.510 102 HD1 PHE 15 HD1 PHE 15 -19.923 2.443 -0.444 103 HD2 PHE 15 HD2 PHE 15 -19.481 0.233 -4.129 104 HE1 PHE 15 HE1 PHE 15 -20.166 4.544 -1.739 105 HE2 PHE 15 HE2 PHE 15 -19.696 2.332 -5.404 106 HZ PHE 15 HZ PHE 15 -20.018 4.508 -4.218 107 H ALA 16 H ALA 16 -15.803 0.764 -1.156 108 HA ALA 16 HA ALA 16 -16.532 2.871 0.593 109 HB1 ALA 16 HB1 ALA 16 -15.775 1.093 2.203 110 HB2 ALA 16 HB2 ALA 16 -14.157 1.289 1.535 111 HB3 ALA 16 HB3 ALA 16 -14.936 2.663 2.291 112 H PHE 17 H PHE 17 -15.035 4.620 0.504 113 HA PHE 17 HA PHE 17 -13.077 4.455 -1.726 114 HB2 PHE 17 HB2 PHE 17 -15.247 5.390 -2.463 115 HB3 PHE 17 HB3 PHE 17 -15.054 6.699 -1.283 116 HD1 PHE 17 HD2 PHE 17 -13.317 5.010 -4.168 117 HD2 PHE 17 HD1 PHE 17 -13.826 8.664 -1.914 118 HE1 PHE 17 HE2 PHE 17 -11.787 6.199 -5.731 119 HE2 PHE 17 HE1 PHE 17 -12.348 9.841 -3.508 120 HZ PHE 17 HZ PHE 17 -11.302 8.613 -5.396 121 H VAL 18 H VAL 18 -11.233 4.538 -0.584 122 HA VAL 18 HA VAL 18 -10.675 6.985 0.934 123 HB VAL 18 HB VAL 18 -9.388 5.523 2.598 124 HG11 VAL 18 HG11 VAL 18 -11.347 5.374 4.077 125 HG12 VAL 18 HG12 VAL 18 -11.316 6.890 3.177 126 HG13 VAL 18 HG13 VAL 18 -12.435 5.598 2.690 127 HG21 VAL 18 HG21 VAL 18 -11.470 3.446 1.782 128 HG22 VAL 18 HG22 VAL 18 -9.729 3.306 1.498 129 HG23 VAL 18 HG23 VAL 18 -10.341 3.351 3.157 130 HA PRO 19 HA PRO 19 -7.589 6.045 -2.293 131 HB2 PRO 19 HB2 PRO 19 -6.398 8.527 -2.428 132 HB3 PRO 19 HB3 PRO 19 -7.903 8.079 -3.289 133 HG2 PRO 19 HG2 PRO 19 -7.633 9.558 -0.670 134 HG3 PRO 19 HG3 PRO 19 -8.680 9.935 -2.068 135 HD2 PRO 19 HD2 PRO 19 -9.596 8.606 0.132 136 HD3 PRO 19 HD3 PRO 19 -10.208 8.219 -1.508 137 H SER 20 H SER 20 -5.788 4.972 -1.644 138 HA SER 20 HA SER 20 -4.141 6.096 0.503 139 HB2 SER 20 HB2 SER 20 -5.695 3.566 0.705 140 HB3 SER 20 HB3 SER 20 -4.218 3.809 1.652 141 HG SER 20 HG SER 20 -6.007 5.900 1.534 142 H TYR 21 H TYR 21 -2.182 4.065 0.715 143 HA TYR 21 HA TYR 21 -0.947 4.400 -2.006 144 HB2 TYR 21 HB2 TYR 21 0.133 4.795 0.739 145 HB3 TYR 21 HB3 TYR 21 1.220 4.129 -0.463 146 HD1 TYR 21 HD1 TYR 21 -0.854 7.053 0.422 147 HD2 TYR 21 HD2 TYR 21 2.111 5.476 -2.308 148 HE1 TYR 21 HE1 TYR 21 -0.369 9.330 -0.375 149 HE2 TYR 21 HE2 TYR 21 2.536 7.751 -3.143 150 HH TYR 21 HH TYR 21 0.670 10.564 -2.257 151 H TYR 22 H TYR 22 -0.027 2.895 -3.020 152 HA TYR 22 HA TYR 22 -0.096 0.078 -2.115 153 HB2 TYR 22 HB2 TYR 22 -1.048 1.090 -4.491 154 HB3 TYR 22 HB3 TYR 22 0.639 1.143 -4.876 155 HD1 TYR 22 HD1 TYR 22 1.982 -0.970 -5.013 156 HD2 TYR 22 HD2 TYR 22 -2.288 -0.936 -4.536 157 HE1 TYR 22 HE1 TYR 22 1.943 -3.297 -5.727 158 HE2 TYR 22 HE2 TYR 22 -2.354 -3.315 -5.302 159 HH TYR 22 HH TYR 22 0.548 -5.054 -6.446 160 H TYR 23 H TYR 23 1.912 -1.220 -2.334 161 HA TYR 23 HA TYR 23 4.427 0.395 -2.488 162 HB2 TYR 23 HB2 TYR 23 4.112 -0.652 -0.338 163 HB3 TYR 23 HB3 TYR 23 3.724 -2.185 -1.082 164 HD1 TYR 23 HD1 TYR 23 6.562 0.316 -1.208 165 HD2 TYR 23 HD2 TYR 23 5.408 -3.834 -1.226 166 HE1 TYR 23 HE1 TYR 23 8.938 -0.344 -1.242 167 HE2 TYR 23 HE2 TYR 23 7.779 -4.495 -1.140 168 HH TYR 23 HH TYR 23 10.363 -2.377 -0.525 169 H ASN 24 H ASN 24 5.908 -0.129 -4.105 170 HA ASN 24 HA ASN 24 5.438 -2.614 -5.659 171 HB2 ASN 24 HB2 ASN 24 6.017 0.196 -6.616 172 HB3 ASN 24 HB3 ASN 24 6.425 -1.213 -7.579 173 HD21 ASN 24 HD21 ASN 24 4.860 -2.048 -8.937 174 HD22 ASN 24 HD22 ASN 24 3.147 -1.745 -8.762 175 H GLN 25 H GLN 25 7.032 -3.733 -4.332 176 HA GLN 25 HA GLN 25 9.711 -2.967 -3.892 177 HB2 GLN 25 HB2 GLN 25 10.259 -5.427 -4.201 178 HB3 GLN 25 HB3 GLN 25 9.208 -5.002 -2.878 179 HG2 GLN 25 HG2 GLN 25 8.143 -6.060 -5.540 180 HG3 GLN 25 HG3 GLN 25 8.698 -7.113 -4.239 181 HE21 GLN 25 HE21 GLN 25 5.906 -5.328 -5.359 182 HE22 GLN 25 HE22 GLN 25 5.072 -5.394 -3.848 183 H TYR 26 H TYR 26 8.175 -4.282 -6.802 184 HA TYR 26 HA TYR 26 10.267 -4.928 -8.462 185 HB2 TYR 26 HB2 TYR 26 7.594 -3.602 -9.042 186 HB3 TYR 26 HB3 TYR 26 8.651 -4.213 -10.298 187 HD1 TYR 26 HD2 TYR 26 9.004 -6.605 -10.648 188 HD2 TYR 26 HD1 TYR 26 6.304 -5.149 -7.638 189 HE1 TYR 26 HE2 TYR 26 7.906 -8.802 -10.588 190 HE2 TYR 26 HE1 TYR 26 5.195 -7.384 -7.534 191 HH TYR 26 HH TYR 26 5.877 -9.842 -9.978 192 H SER 27 H SER 27 9.098 -1.634 -7.679 193 HA SER 27 HA SER 27 11.294 -0.557 -9.355 194 HB2 SER 27 HB2 SER 27 8.895 -0.241 -10.195 195 HB3 SER 27 HB3 SER 27 8.657 0.843 -8.813 196 HG SER 27 HG SER 27 10.736 1.013 -10.760 197 H ASN 28 H ASN 28 10.928 -1.349 -6.356 198 HA ASN 28 HA ASN 28 11.415 -0.603 -4.317 199 HB2 ASN 28 HB2 ASN 28 13.634 -0.718 -5.423 200 HB3 ASN 28 HB3 ASN 28 13.492 0.955 -5.942 201 HD21 ASN 28 HD21 ASN 28 13.254 -0.842 -2.768 202 HD22 ASN 28 HD22 ASN 28 14.339 0.259 -1.982 203 H THR 29 H THR 29 9.161 0.695 -5.131 204 HA THR 29 HA THR 29 9.363 3.158 -3.648 205 HB THR 29 HB THR 29 10.120 3.716 -5.992 206 HG1 THR 29 HG1 THR 29 9.319 5.610 -5.816 207 HG21 THR 29 HG21 THR 29 7.177 3.376 -6.718 208 HG22 THR 29 HG22 THR 29 8.534 2.409 -7.324 209 HG23 THR 29 HG23 THR 29 8.435 4.141 -7.691 210 H CYS 30 H CYS 30 6.922 4.229 -4.422 211 HA CYS 30 HA CYS 30 4.857 2.164 -3.928 212 HB2 CYS 30 HB2 CYS 30 5.219 4.782 -2.446 213 HB3 CYS 30 HB3 CYS 30 3.857 3.704 -2.252 214 H HIS 31 H HIS 31 2.614 3.317 -4.138 215 HA HIS 31 HA HIS 31 2.646 5.703 -5.768 216 HB2 HIS 31 HB2 HIS 31 3.089 3.508 -7.228 217 HB3 HIS 31 HB3 HIS 31 1.360 3.258 -7.021 218 HD1 HIS 31 HD1 HIS 31 0.389 3.994 -9.367 219 HD2 HIS 31 HD2 HIS 31 3.189 6.664 -7.666 220 HE1 HIS 31 HE1 HIS 31 0.594 5.932 -10.981 221 H SER 32 H SER 32 0.681 6.802 -5.557 222 HA SER 32 HA SER 32 -1.152 5.801 -3.578 223 HB2 SER 32 HB2 SER 32 -2.555 7.687 -4.293 224 HB3 SER 32 HB3 SER 32 -0.930 8.146 -3.781 225 HG SER 32 HG SER 32 -1.191 7.666 -6.514 226 H PHE 33 H PHE 33 -3.049 4.681 -3.812 227 HA PHE 33 HA PHE 33 -4.214 4.202 -6.461 228 HB2 PHE 33 HB2 PHE 33 -4.199 1.898 -6.423 229 HB3 PHE 33 HB3 PHE 33 -2.577 2.301 -5.860 230 HD1 PHE 33 HD2 PHE 33 -2.271 2.398 -3.349 231 HD2 PHE 33 HD1 PHE 33 -5.617 0.433 -5.139 232 HE1 PHE 33 HE2 PHE 33 -2.443 0.845 -1.375 233 HE2 PHE 33 HE1 PHE 33 -6.077 -0.723 -3.021 234 HZ PHE 33 HZ PHE 33 -4.414 -0.371 -1.031 235 H THR 34 H THR 34 -6.251 2.652 -5.762 236 HA THR 34 HA THR 34 -7.805 4.397 -3.823 237 HB THR 34 HB THR 34 -9.819 3.473 -5.108 238 HG1 THR 34 HG1 THR 34 -9.446 2.222 -6.690 239 HG21 THR 34 HG21 THR 34 -7.817 5.276 -6.557 240 HG22 THR 34 HG22 THR 34 -9.010 5.799 -5.358 241 HG23 THR 34 HG23 THR 34 -9.557 5.144 -6.910 242 H TYR 35 H TYR 35 -8.476 3.571 -1.878 243 HA TYR 35 HA TYR 35 -8.428 0.635 -1.658 244 HB2 TYR 35 HB2 TYR 35 -6.625 1.751 -0.461 245 HB3 TYR 35 HB3 TYR 35 -7.788 2.536 0.575 246 HD1 TYR 35 HD1 TYR 35 -6.657 -0.884 -0.612 247 HD2 TYR 35 HD2 TYR 35 -8.289 1.474 2.632 248 HE1 TYR 35 HE1 TYR 35 -6.268 -2.743 0.949 249 HE2 TYR 35 HE2 TYR 35 -7.946 -0.417 4.171 250 HH TYR 35 HH TYR 35 -7.251 -2.718 4.361 251 H SER 36 H SER 36 -9.739 -0.026 0.517 252 HA SER 36 HA SER 36 -12.300 1.398 0.658 253 HB2 SER 36 HB2 SER 36 -12.323 -0.596 -0.913 254 HB3 SER 36 HB3 SER 36 -11.930 -1.627 0.476 255 HG SER 36 HG SER 36 -14.182 -1.423 -0.202 256 H GLY 37 H GLY 37 -12.712 1.785 2.896 257 HA2 GLY 37 HA2 GLY 37 -10.760 1.217 4.855 258 HA3 GLY 37 HA3 GLY 37 -12.407 1.766 5.166 259 H CYS 38 H CYS 38 -13.509 -0.643 3.782 260 HA CYS 38 HA CYS 38 -13.253 -2.649 5.963 261 HB2 CYS 38 HB2 CYS 38 -15.458 -1.793 5.813 262 HB3 CYS 38 HB3 CYS 38 -15.456 -1.784 4.063 263 H GLY 39 H GLY 39 -12.510 -4.682 5.304 264 HA2 GLY 39 HA2 GLY 39 -11.803 -6.328 3.802 265 HA3 GLY 39 HA3 GLY 39 -12.379 -5.335 2.455 266 H GLY 40 H GLY 40 -10.198 -6.222 1.677 267 HA2 GLY 40 HA2 GLY 40 -8.242 -5.291 0.738 268 HA3 GLY 40 HA3 GLY 40 -8.252 -4.022 1.938 269 H ASN 41 H ASN 41 -5.826 -4.935 1.597 270 HA ASN 41 HA ASN 41 -5.298 -6.845 3.813 271 HB2 ASN 41 HB2 ASN 41 -4.082 -6.811 1.035 272 HB3 ASN 41 HB3 ASN 41 -3.184 -7.401 2.411 273 HD21 ASN 41 HD21 ASN 41 -5.246 -8.507 0.003 274 HD22 ASN 41 HD22 ASN 41 -5.906 -9.895 0.794 275 H ALA 42 H ALA 42 -3.141 -6.632 4.656 276 HA ALA 42 HA ALA 42 -2.583 -4.118 5.628 277 HB1 ALA 42 HB1 ALA 42 -0.561 -6.368 5.346 278 HB2 ALA 42 HB2 ALA 42 -0.574 -5.080 6.556 279 HB3 ALA 42 HB3 ALA 42 -1.848 -6.317 6.587 280 H ASN 43 H ASN 43 -1.694 -5.019 2.307 281 HA ASN 43 HA ASN 43 0.746 -3.480 2.368 282 HB2 ASN 43 HB2 ASN 43 0.862 -3.746 0.056 283 HB3 ASN 43 HB3 ASN 43 0.169 -5.251 0.643 284 HD21 ASN 43 HD21 ASN 43 -0.205 -2.540 -1.401 285 HD22 ASN 43 HD22 ASN 43 -1.763 -2.992 -2.061 286 H ARG 44 H ARG 44 -2.267 -2.387 2.863 287 HA ARG 44 HA ARG 44 -2.259 0.029 1.278 288 HB2 ARG 44 HB2 ARG 44 -4.317 -1.031 2.017 289 HB3 ARG 44 HB3 ARG 44 -3.826 -1.008 3.718 290 HG2 ARG 44 HG2 ARG 44 -3.750 1.628 2.425 291 HG3 ARG 44 HG3 ARG 44 -5.353 0.932 2.427 292 HD2 ARG 44 HD2 ARG 44 -5.339 0.910 4.853 293 HD3 ARG 44 HD3 ARG 44 -3.605 1.352 4.853 294 HE ARG 44 HE ARG 44 -5.164 3.118 3.243 295 HH11 ARG 44 HH11 ARG 44 -4.210 2.522 6.601 296 HH12 ARG 44 HH12 ARG 44 -4.200 4.182 7.095 297 HH21 ARG 44 HH21 ARG 44 -5.286 5.267 3.823 298 HH22 ARG 44 HH22 ARG 44 -5.068 5.817 5.464 299 H PHE 45 H PHE 45 -1.342 1.913 1.787 300 HA PHE 45 HA PHE 45 -0.419 2.464 4.567 301 HB2 PHE 45 HB2 PHE 45 0.958 3.036 1.919 302 HB3 PHE 45 HB3 PHE 45 1.410 3.826 3.430 303 HD1 PHE 45 HD1 PHE 45 2.104 2.406 5.444 304 HD2 PHE 45 HD2 PHE 45 1.658 0.792 1.449 305 HE1 PHE 45 HE1 PHE 45 3.400 0.439 6.093 306 HE2 PHE 45 HE2 PHE 45 3.028 -1.132 2.085 307 HZ PHE 45 HZ PHE 45 3.984 -1.293 4.409 308 H ARG 46 H ARG 46 -0.097 4.867 4.854 309 HA ARG 46 HA ARG 46 -2.445 6.339 3.766 310 HB2 ARG 46 HB2 ARG 46 -1.914 7.775 5.925 311 HB3 ARG 46 HB3 ARG 46 -2.876 6.319 5.973 312 HG2 ARG 46 HG2 ARG 46 -1.327 6.489 7.861 313 HG3 ARG 46 HG3 ARG 46 -1.134 5.013 6.937 314 HD2 ARG 46 HD2 ARG 46 0.997 5.838 7.629 315 HD3 ARG 46 HD3 ARG 46 0.931 5.949 5.884 316 HE ARG 46 HE ARG 46 0.617 8.359 6.043 317 HH11 ARG 46 HH11 ARG 46 1.908 6.756 9.013 318 HH12 ARG 46 HH12 ARG 46 2.629 8.234 9.528 319 HH21 ARG 46 HH21 ARG 46 1.090 10.284 7.126 320 HH22 ARG 46 HH22 ARG 46 2.115 10.243 8.523 321 H THR 47 H THR 47 0.997 6.290 3.568 322 HA THR 47 HA THR 47 0.938 8.550 1.931 323 HB THR 47 HB THR 47 0.973 9.631 4.267 324 HG1 THR 47 HG1 THR 47 1.560 10.812 2.528 325 HG21 THR 47 HG21 THR 47 3.879 8.795 4.235 326 HG22 THR 47 HG22 THR 47 2.692 7.861 5.082 327 HG23 THR 47 HG23 THR 47 3.001 9.574 5.538 328 H ILE 48 H ILE 48 3.031 8.897 0.907 329 HA ILE 48 HA ILE 48 4.306 6.432 0.506 330 HB ILE 48 HB ILE 48 4.096 7.862 -1.321 331 HG12 ILE 48 HG12 ILE 48 7.059 7.722 -0.677 332 HG13 ILE 48 HG13 ILE 48 6.096 6.328 -1.096 333 HG21 ILE 48 HG21 ILE 48 4.150 10.075 -0.194 334 HG22 ILE 48 HG22 ILE 48 5.891 9.883 0.097 335 HG23 ILE 48 HG23 ILE 48 5.261 10.036 -1.553 336 HD11 ILE 48 HD11 ILE 48 6.502 8.708 -2.918 337 HD12 ILE 48 HD12 ILE 48 7.273 7.120 -3.053 338 HD13 ILE 48 HD13 ILE 48 5.518 7.269 -3.277 339 H ASP 49 H ASP 49 4.939 9.139 2.617 340 HA ASP 49 HA ASP 49 7.725 8.734 3.079 341 HB2 ASP 49 HB2 ASP 49 5.754 9.704 5.145 342 HB3 ASP 49 HB3 ASP 49 7.482 10.035 5.070 343 H GLU 50 H GLU 50 4.846 7.169 4.332 344 HA GLU 50 HA GLU 50 6.267 5.770 6.492 345 HB2 GLU 50 HB2 GLU 50 3.787 6.665 6.410 346 HB3 GLU 50 HB3 GLU 50 3.437 5.166 5.559 347 HG2 GLU 50 HG2 GLU 50 4.373 5.688 8.376 348 HG3 GLU 50 HG3 GLU 50 2.936 4.828 7.826 349 H CYS 51 H CYS 51 4.505 5.014 3.429 350 HA CYS 51 HA CYS 51 5.130 2.320 3.488 351 HB2 CYS 51 HB2 CYS 51 4.189 2.180 1.343 352 HB3 CYS 51 HB3 CYS 51 3.480 3.667 2.001 353 H ASN 52 H ASN 52 7.100 4.978 2.131 354 HA ASN 52 HA ASN 52 8.968 3.116 1.020 355 HB2 ASN 52 HB2 ASN 52 10.019 4.807 -0.006 356 HB3 ASN 52 HB3 ASN 52 8.456 5.552 0.211 357 HD21 ASN 52 HD21 ASN 52 8.356 7.374 1.404 358 HD22 ASN 52 HD22 ASN 52 9.721 8.217 2.099 359 H ARG 53 H ARG 53 9.149 5.347 3.894 360 HA ARG 53 HA ARG 53 11.591 4.297 4.722 361 HB2 ARG 53 HB2 ARG 53 11.338 5.413 6.718 362 HB3 ARG 53 HB3 ARG 53 10.255 6.303 5.642 363 HG2 ARG 53 HG2 ARG 53 8.335 5.021 6.592 364 HG3 ARG 53 HG3 ARG 53 9.421 4.237 7.730 365 HD2 ARG 53 HD2 ARG 53 9.064 7.256 7.534 366 HD3 ARG 53 HD3 ARG 53 8.148 6.225 8.633 367 HE ARG 53 HE ARG 53 10.265 5.507 9.665 368 HH11 ARG 53 HH11 ARG 53 10.538 8.569 7.758 369 HH12 ARG 53 HH12 ARG 53 11.938 9.042 8.653 370 HH21 ARG 53 HH21 ARG 53 11.996 6.353 10.893 371 HH22 ARG 53 HH22 ARG 53 12.854 7.736 10.284 372 H THR 54 H THR 54 8.448 2.730 5.079 373 HA THR 54 HA THR 54 9.577 0.718 6.870 374 HB THR 54 HB THR 54 7.317 1.968 6.951 375 HG1 THR 54 HG1 THR 54 6.592 0.467 8.256 376 HG21 THR 54 HG21 THR 54 5.474 1.029 5.969 377 HG22 THR 54 HG22 THR 54 6.289 -0.501 5.535 378 HG23 THR 54 HG23 THR 54 6.618 1.004 4.646 379 H CYS 55 H CYS 55 9.247 0.898 3.375 380 HA CYS 55 HA CYS 55 9.947 -2.002 3.301 381 HB2 CYS 55 HB2 CYS 55 7.868 -0.777 1.479 382 HB3 CYS 55 HB3 CYS 55 8.468 -2.432 1.474 383 H VAL 56 H VAL 56 10.325 1.139 1.878 384 HA VAL 56 HA VAL 56 11.654 0.108 -0.565 385 HB VAL 56 HB VAL 56 11.227 2.877 0.557 386 HG11 VAL 56 HG11 VAL 56 12.089 3.858 -1.463 387 HG12 VAL 56 HG12 VAL 56 13.375 3.018 -0.594 388 HG13 VAL 56 HG13 VAL 56 12.644 2.283 -2.034 389 HG21 VAL 56 HG21 VAL 56 9.799 3.102 -1.467 390 HG22 VAL 56 HG22 VAL 56 10.249 1.469 -1.971 391 HG23 VAL 56 HG23 VAL 56 9.271 1.719 -0.513 392 H GLY 57 H GLY 57 13.163 -1.269 0.269 393 HA2 GLY 57 HA2 GLY 57 15.073 -0.448 2.331 394 HA3 GLY 57 HA3 GLY 57 14.988 -1.997 1.471 Start of MODEL 20 1 H1 ARG 1 H ARG 1 13.125 -4.503 3.117 2 HA ARG 1 HA ARG 1 10.773 -4.063 3.315 3 HB2 ARG 1 HB2 ARG 1 9.947 -4.743 1.110 4 HB3 ARG 1 HB3 ARG 1 11.534 -3.996 1.105 5 HG2 ARG 1 HG2 ARG 1 12.053 -6.804 1.157 6 HG3 ARG 1 HG3 ARG 1 10.700 -6.574 0.064 7 HD2 ARG 1 HD2 ARG 1 12.755 -6.412 -1.166 8 HD3 ARG 1 HD3 ARG 1 11.972 -4.817 -1.152 9 HE ARG 1 HE ARG 1 13.713 -4.647 0.969 10 HH11 ARG 1 HH11 ARG 1 14.103 -5.312 -2.482 11 HH12 ARG 1 HH12 ARG 1 15.790 -4.881 -2.494 12 HH21 ARG 1 HH21 ARG 1 15.899 -4.347 1.019 13 HH22 ARG 1 HH22 ARG 1 16.864 -4.248 -0.421 14 HA PRO 2 HA PRO 2 8.915 -7.542 5.379 15 HB2 PRO 2 HB2 PRO 2 6.672 -6.325 6.263 16 HB3 PRO 2 HB3 PRO 2 8.271 -5.960 6.976 17 HG2 PRO 2 HG2 PRO 2 6.788 -4.399 4.860 18 HG3 PRO 2 HG3 PRO 2 7.576 -3.769 6.348 19 HD2 PRO 2 HD2 PRO 2 8.824 -3.742 3.925 20 HD3 PRO 2 HD3 PRO 2 9.736 -4.055 5.434 21 H ARG 3 H ARG 3 7.625 -9.089 4.574 22 HA ARG 3 HA ARG 3 6.522 -8.923 1.994 23 HB2 ARG 3 HB2 ARG 3 5.803 -11.113 2.222 24 HB3 ARG 3 HB3 ARG 3 7.211 -11.017 3.266 25 HG2 ARG 3 HG2 ARG 3 4.284 -11.028 4.130 26 HG3 ARG 3 HG3 ARG 3 5.438 -12.347 4.268 27 HD2 ARG 3 HD2 ARG 3 6.758 -11.144 5.921 28 HD3 ARG 3 HD3 ARG 3 5.743 -9.706 5.711 29 HE ARG 3 HE ARG 3 4.385 -12.179 6.504 30 HH11 ARG 3 HH11 ARG 3 5.836 -9.142 7.736 31 HH12 ARG 3 HH12 ARG 3 4.594 -8.984 8.970 32 HH21 ARG 3 HH21 ARG 3 2.957 -11.957 8.341 33 HH22 ARG 3 HH22 ARG 3 3.125 -10.537 9.359 34 H PHE 4 H PHE 4 4.978 -7.854 4.979 35 HA PHE 4 HA PHE 4 2.300 -8.213 4.054 36 HB2 PHE 4 HB2 PHE 4 1.621 -6.787 5.798 37 HB3 PHE 4 HB3 PHE 4 2.933 -7.758 6.407 38 HD1 PHE 4 HD2 PHE 4 2.274 -4.344 4.873 39 HD2 PHE 4 HD1 PHE 4 4.571 -6.685 7.680 40 HE1 PHE 4 HE2 PHE 4 3.568 -2.317 5.541 41 HE2 PHE 4 HE1 PHE 4 5.783 -4.650 8.382 42 HZ PHE 4 HZ PHE 4 5.296 -2.455 7.283 43 H CYS 5 H CYS 5 4.819 -5.925 3.130 44 HA CYS 5 HA CYS 5 3.101 -3.916 2.130 45 HB2 CYS 5 HB2 CYS 5 5.809 -4.290 2.675 46 HB3 CYS 5 HB3 CYS 5 5.800 -4.209 0.932 47 H GLU 6 H GLU 6 4.085 -7.024 0.832 48 HA GLU 6 HA GLU 6 3.509 -6.214 -1.940 49 HB2 GLU 6 HB2 GLU 6 4.573 -8.190 -2.579 50 HB3 GLU 6 HB3 GLU 6 5.495 -7.608 -1.203 51 HG2 GLU 6 HG2 GLU 6 5.242 -9.505 -0.093 52 HG3 GLU 6 HG3 GLU 6 3.487 -9.428 -0.205 53 H LEU 7 H LEU 7 1.386 -6.846 0.443 54 HA LEU 7 HA LEU 7 -0.029 -9.076 -0.714 55 HB2 LEU 7 HB2 LEU 7 -0.929 -7.002 1.287 56 HB3 LEU 7 HB3 LEU 7 -1.788 -8.513 0.898 57 HG LEU 7 HG LEU 7 0.913 -8.210 2.250 58 HD11 LEU 7 HD11 LEU 7 -0.162 -9.112 4.173 59 HD12 LEU 7 HD12 LEU 7 -1.648 -9.488 3.265 60 HD13 LEU 7 HD13 LEU 7 -1.186 -7.807 3.575 61 HD21 LEU 7 HD21 LEU 7 0.939 -10.621 2.599 62 HD22 LEU 7 HD22 LEU 7 1.148 -10.172 0.910 63 HD23 LEU 7 HD23 LEU 7 -0.438 -10.794 1.460 64 H ALA 8 H ALA 8 -2.299 -8.881 -1.314 65 HA ALA 8 HA ALA 8 -2.583 -6.888 -3.506 66 HB1 ALA 8 HB1 ALA 8 -4.087 -9.461 -2.897 67 HB2 ALA 8 HB2 ALA 8 -4.373 -8.397 -4.300 68 HB3 ALA 8 HB3 ALA 8 -2.822 -9.236 -4.124 69 HA PRO 9 HA PRO 9 -5.249 -4.907 -0.460 70 HB2 PRO 9 HB2 PRO 9 -6.137 -2.752 -1.865 71 HB3 PRO 9 HB3 PRO 9 -4.527 -2.872 -1.111 72 HG2 PRO 9 HG2 PRO 9 -5.284 -3.411 -4.003 73 HG3 PRO 9 HG3 PRO 9 -3.897 -2.474 -3.370 74 HD2 PRO 9 HD2 PRO 9 -3.680 -5.080 -4.180 75 HD3 PRO 9 HD3 PRO 9 -2.691 -4.426 -2.843 76 H SER 10 H SER 10 -6.918 -6.454 -0.314 77 HA SER 10 HA SER 10 -8.854 -6.933 -2.326 78 HB2 SER 10 HB2 SER 10 -7.997 -8.498 -0.498 79 HB3 SER 10 HB3 SER 10 -9.084 -7.652 0.616 80 HG SER 10 HG SER 10 -10.167 -9.416 -0.252 81 H ALA 11 H ALA 11 -9.109 -4.323 -2.332 82 HA ALA 11 HA ALA 11 -10.917 -3.172 -0.401 83 HB1 ALA 11 HB1 ALA 11 -10.926 -1.266 -2.016 84 HB2 ALA 11 HB2 ALA 11 -9.282 -1.841 -1.656 85 HB3 ALA 11 HB3 ALA 11 -10.073 -2.277 -3.190 86 H GLY 12 H GLY 12 -11.617 -5.284 -3.080 87 HA2 GLY 12 HA2 GLY 12 -14.072 -4.149 -3.942 88 HA3 GLY 12 HA3 GLY 12 -13.537 -5.820 -4.138 89 H SER 13 H SER 13 -13.465 -5.696 -0.893 90 HA SER 13 HA SER 13 -15.707 -7.233 -0.467 91 HB2 SER 13 HB2 SER 13 -14.365 -5.439 1.574 92 HB3 SER 13 HB3 SER 13 -15.164 -6.996 1.870 93 HG SER 13 HG SER 13 -13.482 -7.998 0.675 94 H CYS 14 H CYS 14 -15.560 -3.620 -0.170 95 HA CYS 14 HA CYS 14 -18.504 -3.569 -0.041 96 HB2 CYS 14 HB2 CYS 14 -16.703 -2.229 2.012 97 HB3 CYS 14 HB3 CYS 14 -18.418 -1.913 1.835 98 H PHE 15 H PHE 15 -19.281 -1.295 -0.287 99 HA PHE 15 HA PHE 15 -17.581 0.087 -2.262 100 HB2 PHE 15 HB2 PHE 15 -20.032 -0.356 -2.692 101 HB3 PHE 15 HB3 PHE 15 -20.410 0.773 -1.389 102 HD1 PHE 15 HD1 PHE 15 -19.343 3.217 -1.583 103 HD2 PHE 15 HD2 PHE 15 -19.738 0.453 -4.888 104 HE1 PHE 15 HE1 PHE 15 -18.927 5.049 -3.184 105 HE2 PHE 15 HE2 PHE 15 -19.470 2.332 -6.462 106 HZ PHE 15 HZ PHE 15 -19.071 4.648 -5.597 107 H ALA 16 H ALA 16 -16.100 1.423 -1.390 108 HA ALA 16 HA ALA 16 -16.949 3.551 0.392 109 HB1 ALA 16 HB1 ALA 16 -14.717 1.619 1.112 110 HB2 ALA 16 HB2 ALA 16 -15.010 3.166 1.910 111 HB3 ALA 16 HB3 ALA 16 -16.218 1.860 2.021 112 H PHE 17 H PHE 17 -15.422 5.296 0.166 113 HA PHE 17 HA PHE 17 -13.423 4.914 -2.030 114 HB2 PHE 17 HB2 PHE 17 -15.599 6.070 -2.646 115 HB3 PHE 17 HB3 PHE 17 -15.109 7.390 -1.594 116 HD1 PHE 17 HD2 PHE 17 -11.979 6.518 -2.891 117 HD2 PHE 17 HD1 PHE 17 -15.796 8.075 -4.228 118 HE1 PHE 17 HE2 PHE 17 -10.884 7.519 -4.805 119 HE2 PHE 17 HE1 PHE 17 -14.662 9.112 -6.156 120 HZ PHE 17 HZ PHE 17 -12.198 8.856 -6.453 121 H VAL 18 H VAL 18 -11.624 4.755 -0.769 122 HA VAL 18 HA VAL 18 -10.828 7.130 0.778 123 HB VAL 18 HB VAL 18 -9.784 5.493 2.466 124 HG11 VAL 18 HG11 VAL 18 -12.777 6.064 2.459 125 HG12 VAL 18 HG12 VAL 18 -11.798 5.638 3.876 126 HG13 VAL 18 HG13 VAL 18 -11.463 7.138 3.017 127 HG21 VAL 18 HG21 VAL 18 -11.059 3.486 3.008 128 HG22 VAL 18 HG22 VAL 18 -12.136 3.726 1.622 129 HG23 VAL 18 HG23 VAL 18 -10.419 3.339 1.372 130 HA PRO 19 HA PRO 19 -7.723 5.785 -2.285 131 HB2 PRO 19 HB2 PRO 19 -6.520 8.230 -2.689 132 HB3 PRO 19 HB3 PRO 19 -7.988 7.676 -3.553 133 HG2 PRO 19 HG2 PRO 19 -7.810 9.464 -1.125 134 HG3 PRO 19 HG3 PRO 19 -8.822 9.662 -2.584 135 HD2 PRO 19 HD2 PRO 19 -9.792 8.639 -0.251 136 HD3 PRO 19 HD3 PRO 19 -10.367 8.046 -1.839 137 H SER 20 H SER 20 -6.048 4.767 -1.437 138 HA SER 20 HA SER 20 -4.528 5.947 0.794 139 HB2 SER 20 HB2 SER 20 -5.181 3.010 0.581 140 HB3 SER 20 HB3 SER 20 -4.435 3.893 1.913 141 HG SER 20 HG SER 20 -7.072 4.327 0.960 142 H TYR 21 H TYR 21 -2.443 4.125 0.926 143 HA TYR 21 HA TYR 21 -1.156 4.505 -1.743 144 HB2 TYR 21 HB2 TYR 21 -0.382 5.047 1.058 145 HB3 TYR 21 HB3 TYR 21 0.792 4.314 0.053 146 HD1 TYR 21 HD2 TYR 21 1.924 5.691 -1.890 147 HD2 TYR 21 HD1 TYR 21 -1.248 7.252 0.674 148 HE1 TYR 21 HE2 TYR 21 2.348 7.946 -2.699 149 HE2 TYR 21 HE1 TYR 21 -0.667 9.525 -0.018 150 HH TYR 21 HH TYR 21 1.664 10.249 -2.618 151 H TYR 22 H TYR 22 -0.066 2.941 -2.718 152 HA TYR 22 HA TYR 22 -0.191 0.136 -1.775 153 HB2 TYR 22 HB2 TYR 22 -1.246 1.155 -4.043 154 HB3 TYR 22 HB3 TYR 22 0.412 1.283 -4.545 155 HD1 TYR 22 HD1 TYR 22 1.791 -0.799 -5.032 156 HD2 TYR 22 HD2 TYR 22 -2.420 -0.910 -4.130 157 HE1 TYR 22 HE1 TYR 22 1.711 -3.098 -5.859 158 HE2 TYR 22 HE2 TYR 22 -2.539 -3.188 -5.146 159 HH TYR 22 HH TYR 22 0.319 -4.881 -6.483 160 H TYR 23 H TYR 23 1.784 -1.130 -2.582 161 HA TYR 23 HA TYR 23 4.344 0.460 -2.678 162 HB2 TYR 23 HB2 TYR 23 4.262 -0.468 -0.478 163 HB3 TYR 23 HB3 TYR 23 3.700 -2.013 -1.071 164 HD1 TYR 23 HD1 TYR 23 6.679 0.306 -1.237 165 HD2 TYR 23 HD2 TYR 23 5.259 -3.752 -1.492 166 HE1 TYR 23 HE1 TYR 23 8.984 -0.486 -1.111 167 HE2 TYR 23 HE2 TYR 23 7.591 -4.553 -1.262 168 HH TYR 23 HH TYR 23 10.222 -2.554 -0.445 169 H ASN 24 H ASN 24 5.842 -0.226 -4.239 170 HA ASN 24 HA ASN 24 5.283 -2.793 -5.624 171 HB2 ASN 24 HB2 ASN 24 5.282 -0.051 -6.825 172 HB3 ASN 24 HB3 ASN 24 6.167 -1.291 -7.700 173 HD21 ASN 24 HD21 ASN 24 3.285 0.123 -8.044 174 HD22 ASN 24 HD22 ASN 24 2.339 -1.283 -8.461 175 H GLN 25 H GLN 25 6.916 -3.800 -4.606 176 HA GLN 25 HA GLN 25 9.508 -2.822 -4.099 177 HB2 GLN 25 HB2 GLN 25 10.239 -5.247 -4.175 178 HB3 GLN 25 HB3 GLN 25 9.048 -4.822 -2.985 179 HG2 GLN 25 HG2 GLN 25 8.332 -6.167 -5.623 180 HG3 GLN 25 HG3 GLN 25 8.723 -7.022 -4.125 181 HE21 GLN 25 HE21 GLN 25 6.082 -5.813 -5.857 182 HE22 GLN 25 HE22 GLN 25 4.954 -5.674 -4.546 183 H TYR 26 H TYR 26 8.154 -4.180 -7.083 184 HA TYR 26 HA TYR 26 10.400 -4.704 -8.585 185 HB2 TYR 26 HB2 TYR 26 7.912 -3.276 -9.586 186 HB3 TYR 26 HB3 TYR 26 8.986 -4.302 -10.521 187 HD1 TYR 26 HD2 TYR 26 9.186 -6.835 -9.637 188 HD2 TYR 26 HD1 TYR 26 5.905 -4.161 -8.780 189 HE1 TYR 26 HE2 TYR 26 7.701 -8.779 -9.284 190 HE2 TYR 26 HE1 TYR 26 4.426 -6.092 -8.389 191 HH TYR 26 HH TYR 26 5.516 -9.494 -8.589 192 H SER 27 H SER 27 9.034 -1.515 -7.789 193 HA SER 27 HA SER 27 11.121 -0.125 -9.390 194 HB2 SER 27 HB2 SER 27 8.718 0.166 -10.012 195 HB3 SER 27 HB3 SER 27 8.386 0.742 -8.374 196 HG SER 27 HG SER 27 9.719 1.987 -10.509 197 H ASN 28 H ASN 28 10.778 -1.256 -6.342 198 HA ASN 28 HA ASN 28 11.262 -0.674 -4.242 199 HB2 ASN 28 HB2 ASN 28 13.469 -0.870 -5.436 200 HB3 ASN 28 HB3 ASN 28 13.486 0.890 -5.593 201 HD21 ASN 28 HD21 ASN 28 12.753 -1.421 -2.835 202 HD22 ASN 28 HD22 ASN 28 13.962 -0.646 -1.808 203 H THR 29 H THR 29 9.117 0.785 -5.062 204 HA THR 29 HA THR 29 9.358 3.131 -3.428 205 HB THR 29 HB THR 29 10.221 3.767 -5.726 206 HG1 THR 29 HG1 THR 29 9.397 5.183 -4.086 207 HG21 THR 29 HG21 THR 29 7.304 3.869 -6.508 208 HG22 THR 29 HG22 THR 29 8.417 2.591 -7.053 209 HG23 THR 29 HG23 THR 29 8.714 4.283 -7.492 210 H CYS 30 H CYS 30 6.943 4.372 -4.003 211 HA CYS 30 HA CYS 30 4.854 2.272 -3.785 212 HB2 CYS 30 HB2 CYS 30 4.856 4.552 -1.872 213 HB3 CYS 30 HB3 CYS 30 4.276 2.893 -1.821 214 H HIS 31 H HIS 31 2.596 3.304 -3.889 215 HA HIS 31 HA HIS 31 2.605 5.972 -5.124 216 HB2 HIS 31 HB2 HIS 31 3.110 3.887 -6.764 217 HB3 HIS 31 HB3 HIS 31 1.379 3.685 -6.687 218 HD1 HIS 31 HD1 HIS 31 0.486 4.803 -8.908 219 HD2 HIS 31 HD2 HIS 31 3.763 6.721 -7.074 220 HE1 HIS 31 HE1 HIS 31 1.084 6.771 -10.427 221 H SER 32 H SER 32 0.396 6.936 -5.166 222 HA SER 32 HA SER 32 -1.368 5.595 -3.311 223 HB2 SER 32 HB2 SER 32 -2.891 7.555 -4.025 224 HB3 SER 32 HB3 SER 32 -1.582 7.728 -2.864 225 HG SER 32 HG SER 32 -1.668 9.363 -4.503 226 H PHE 33 H PHE 33 -3.329 4.711 -3.635 227 HA PHE 33 HA PHE 33 -4.360 4.105 -6.301 228 HB2 PHE 33 HB2 PHE 33 -4.190 1.809 -6.144 229 HB3 PHE 33 HB3 PHE 33 -2.633 2.328 -5.507 230 HD1 PHE 33 HD2 PHE 33 -2.522 2.597 -2.886 231 HD2 PHE 33 HD1 PHE 33 -5.533 0.303 -4.911 232 HE1 PHE 33 HE2 PHE 33 -3.002 1.306 -0.775 233 HE2 PHE 33 HE1 PHE 33 -6.081 -0.833 -2.822 234 HZ PHE 33 HZ PHE 33 -4.707 -0.331 -0.704 235 H THR 34 H THR 34 -6.431 2.490 -5.603 236 HA THR 34 HA THR 34 -7.998 4.188 -3.659 237 HB THR 34 HB THR 34 -10.036 3.304 -4.787 238 HG1 THR 34 HG1 THR 34 -9.781 1.816 -6.140 239 HG21 THR 34 HG21 THR 34 -8.180 4.844 -6.625 240 HG22 THR 34 HG22 THR 34 -9.090 5.561 -5.275 241 HG23 THR 34 HG23 THR 34 -9.950 4.838 -6.647 242 H TYR 35 H TYR 35 -8.741 3.355 -1.735 243 HA TYR 35 HA TYR 35 -8.648 0.415 -1.441 244 HB2 TYR 35 HB2 TYR 35 -6.979 1.806 -0.126 245 HB3 TYR 35 HB3 TYR 35 -8.331 2.342 0.845 246 HD1 TYR 35 HD1 TYR 35 -6.913 -0.891 -0.533 247 HD2 TYR 35 HD2 TYR 35 -8.540 1.176 2.880 248 HE1 TYR 35 HE1 TYR 35 -6.199 -2.752 0.925 249 HE2 TYR 35 HE2 TYR 35 -7.895 -0.721 4.332 250 HH TYR 35 HH TYR 35 -5.567 -3.085 3.410 251 H SER 36 H SER 36 -10.066 -0.017 0.884 252 HA SER 36 HA SER 36 -12.617 1.409 0.699 253 HB2 SER 36 HB2 SER 36 -12.772 -0.530 -0.831 254 HB3 SER 36 HB3 SER 36 -12.338 -1.619 0.503 255 HG SER 36 HG SER 36 -14.676 -1.151 -0.167 256 H GLY 37 H GLY 37 -14.045 0.444 2.566 257 HA2 GLY 37 HA2 GLY 37 -12.529 0.846 5.036 258 HA3 GLY 37 HA3 GLY 37 -14.260 0.622 4.877 259 H CYS 38 H CYS 38 -14.764 -1.671 3.814 260 HA CYS 38 HA CYS 38 -14.054 -3.714 5.669 261 HB2 CYS 38 HB2 CYS 38 -15.198 -3.895 2.863 262 HB3 CYS 38 HB3 CYS 38 -15.276 -5.182 4.057 263 H GLY 39 H GLY 39 -13.340 -5.891 4.882 264 HA2 GLY 39 HA2 GLY 39 -11.552 -7.219 4.460 265 HA3 GLY 39 HA3 GLY 39 -11.925 -6.786 2.795 266 H GLY 40 H GLY 40 -10.273 -6.079 1.646 267 HA2 GLY 40 HA2 GLY 40 -8.300 -5.017 1.065 268 HA3 GLY 40 HA3 GLY 40 -8.437 -4.094 2.559 269 H ASN 41 H ASN 41 -5.928 -4.774 1.886 270 HA ASN 41 HA ASN 41 -5.213 -6.793 3.935 271 HB2 ASN 41 HB2 ASN 41 -4.136 -6.836 1.080 272 HB3 ASN 41 HB3 ASN 41 -3.225 -7.446 2.429 273 HD21 ASN 41 HD21 ASN 41 -5.333 -8.571 0.108 274 HD22 ASN 41 HD22 ASN 41 -5.919 -9.976 0.987 275 H ALA 42 H ALA 42 -2.894 -6.612 4.525 276 HA ALA 42 HA ALA 42 -2.290 -4.137 5.549 277 HB1 ALA 42 HB1 ALA 42 -0.159 -5.092 6.167 278 HB2 ALA 42 HB2 ALA 42 -1.404 -6.355 6.306 279 HB3 ALA 42 HB3 ALA 42 -0.293 -6.321 4.903 280 H ASN 43 H ASN 43 -1.720 -5.013 2.206 281 HA ASN 43 HA ASN 43 0.624 -3.473 1.716 282 HB2 ASN 43 HB2 ASN 43 0.286 -4.757 -0.074 283 HB3 ASN 43 HB3 ASN 43 -1.446 -4.902 0.201 284 HD21 ASN 43 HD21 ASN 43 0.843 -3.619 -1.968 285 HD22 ASN 43 HD22 ASN 43 -0.387 -2.739 -2.861 286 H ARG 44 H ARG 44 -2.373 -2.314 2.776 287 HA ARG 44 HA ARG 44 -2.289 0.191 1.259 288 HB2 ARG 44 HB2 ARG 44 -4.403 -0.870 1.777 289 HB3 ARG 44 HB3 ARG 44 -4.069 -0.864 3.509 290 HG2 ARG 44 HG2 ARG 44 -3.899 1.837 2.338 291 HG3 ARG 44 HG3 ARG 44 -5.436 1.081 1.993 292 HD2 ARG 44 HD2 ARG 44 -5.613 0.541 4.482 293 HD3 ARG 44 HD3 ARG 44 -4.224 1.610 4.724 294 HE ARG 44 HE ARG 44 -5.833 3.246 3.334 295 HH11 ARG 44 HH11 ARG 44 -6.874 1.067 5.992 296 HH12 ARG 44 HH12 ARG 44 -8.141 2.151 6.470 297 HH21 ARG 44 HH21 ARG 44 -7.397 4.633 4.096 298 HH22 ARG 44 HH22 ARG 44 -8.643 4.061 5.169 299 H PHE 45 H PHE 45 -1.420 2.037 1.965 300 HA PHE 45 HA PHE 45 -0.624 2.375 4.814 301 HB2 PHE 45 HB2 PHE 45 0.934 3.506 2.463 302 HB3 PHE 45 HB3 PHE 45 1.440 3.408 4.143 303 HD1 PHE 45 HD1 PHE 45 1.333 0.866 5.131 304 HD2 PHE 45 HD2 PHE 45 1.671 1.907 0.957 305 HE1 PHE 45 HE1 PHE 45 1.866 -1.474 4.568 306 HE2 PHE 45 HE2 PHE 45 2.317 -0.406 0.441 307 HZ PHE 45 HZ PHE 45 2.377 -2.086 2.216 308 H ARG 46 H ARG 46 -0.111 4.753 5.168 309 HA ARG 46 HA ARG 46 -2.363 6.388 4.103 310 HB2 ARG 46 HB2 ARG 46 -1.649 7.886 6.129 311 HB3 ARG 46 HB3 ARG 46 -2.681 6.485 6.324 312 HG2 ARG 46 HG2 ARG 46 -1.033 6.687 8.123 313 HG3 ARG 46 HG3 ARG 46 -0.944 5.158 7.266 314 HD2 ARG 46 HD2 ARG 46 1.279 5.928 7.769 315 HD3 ARG 46 HD3 ARG 46 1.073 5.966 6.036 316 HE ARG 46 HE ARG 46 0.869 8.356 6.068 317 HH11 ARG 46 HH11 ARG 46 2.175 6.901 9.068 318 HH12 ARG 46 HH12 ARG 46 2.865 8.368 9.606 319 HH21 ARG 46 HH21 ARG 46 1.558 10.399 6.987 320 HH22 ARG 46 HH22 ARG 46 2.396 10.349 8.508 321 H THR 47 H THR 47 1.096 6.028 3.790 322 HA THR 47 HA THR 47 1.104 8.159 1.985 323 HB THR 47 HB THR 47 1.333 9.477 4.131 324 HG1 THR 47 HG1 THR 47 3.015 10.709 3.206 325 HG21 THR 47 HG21 THR 47 3.382 9.368 5.413 326 HG22 THR 47 HG22 THR 47 4.135 8.379 4.196 327 HG23 THR 47 HG23 THR 47 2.943 7.640 5.197 328 H ILE 48 H ILE 48 3.047 8.315 0.779 329 HA ILE 48 HA ILE 48 4.368 5.785 0.383 330 HB ILE 48 HB ILE 48 4.233 7.141 -1.531 331 HG12 ILE 48 HG12 ILE 48 7.141 7.396 -0.569 332 HG13 ILE 48 HG13 ILE 48 6.425 5.922 -1.090 333 HG21 ILE 48 HG21 ILE 48 5.595 9.422 -0.009 334 HG22 ILE 48 HG22 ILE 48 5.150 9.454 -1.724 335 HG23 ILE 48 HG23 ILE 48 3.892 9.384 -0.500 336 HD11 ILE 48 HD11 ILE 48 6.864 8.360 -2.830 337 HD12 ILE 48 HD12 ILE 48 7.569 6.738 -2.988 338 HD13 ILE 48 HD13 ILE 48 5.850 6.994 -3.327 339 H ASP 49 H ASP 49 4.930 8.726 2.285 340 HA ASP 49 HA ASP 49 7.696 8.402 2.789 341 HB2 ASP 49 HB2 ASP 49 5.494 9.950 4.026 342 HB3 ASP 49 HB3 ASP 49 6.765 9.443 5.145 343 H GLU 50 H GLU 50 4.865 7.168 4.783 344 HA GLU 50 HA GLU 50 6.613 5.715 6.476 345 HB2 GLU 50 HB2 GLU 50 4.234 6.348 6.971 346 HB3 GLU 50 HB3 GLU 50 3.706 5.154 5.781 347 HG2 GLU 50 HG2 GLU 50 3.552 4.332 8.141 348 HG3 GLU 50 HG3 GLU 50 4.576 3.323 7.121 349 H CYS 51 H CYS 51 4.875 4.828 3.476 350 HA CYS 51 HA CYS 51 5.452 2.073 3.521 351 HB2 CYS 51 HB2 CYS 51 3.846 2.947 2.055 352 HB3 CYS 51 HB3 CYS 51 5.002 4.079 1.334 353 H ASN 52 H ASN 52 7.402 4.793 2.282 354 HA ASN 52 HA ASN 52 9.321 2.938 1.160 355 HB2 ASN 52 HB2 ASN 52 10.451 4.648 0.218 356 HB3 ASN 52 HB3 ASN 52 8.833 5.300 0.317 357 HD21 ASN 52 HD21 ASN 52 8.672 7.298 1.191 358 HD22 ASN 52 HD22 ASN 52 10.023 8.168 1.906 359 H ARG 53 H ARG 53 9.150 4.863 3.972 360 HA ARG 53 HA ARG 53 11.714 4.083 5.122 361 HB2 ARG 53 HB2 ARG 53 9.148 4.765 6.618 362 HB3 ARG 53 HB3 ARG 53 10.780 4.781 7.305 363 HG2 ARG 53 HG2 ARG 53 9.950 6.378 4.913 364 HG3 ARG 53 HG3 ARG 53 9.741 7.040 6.544 365 HD2 ARG 53 HD2 ARG 53 12.360 6.270 5.207 366 HD3 ARG 53 HD3 ARG 53 11.775 7.915 5.481 367 HE ARG 53 HE ARG 53 11.751 7.160 7.975 368 HH11 ARG 53 HH11 ARG 53 14.293 6.235 5.643 369 HH12 ARG 53 HH12 ARG 53 15.421 5.813 6.907 370 HH21 ARG 53 HH21 ARG 53 13.321 6.980 9.516 371 HH22 ARG 53 HH22 ARG 53 14.943 6.434 9.133 372 H THR 54 H THR 54 8.532 2.566 5.299 373 HA THR 54 HA THR 54 9.561 0.434 7.046 374 HB THR 54 HB THR 54 7.308 1.694 7.205 375 HG1 THR 54 HG1 THR 54 7.951 -0.221 8.452 376 HG21 THR 54 HG21 THR 54 6.134 -0.577 5.606 377 HG22 THR 54 HG22 THR 54 6.693 0.867 4.751 378 HG23 THR 54 HG23 THR 54 5.458 1.033 6.000 379 H CYS 55 H CYS 55 9.318 0.978 3.627 380 HA CYS 55 HA CYS 55 9.882 -1.997 3.277 381 HB2 CYS 55 HB2 CYS 55 7.884 -0.569 1.514 382 HB3 CYS 55 HB3 CYS 55 8.308 -2.272 1.500 383 H VAL 56 H VAL 56 10.733 1.126 2.080 384 HA VAL 56 HA VAL 56 11.812 -0.040 -0.442 385 HB VAL 56 HB VAL 56 11.487 2.745 0.614 386 HG11 VAL 56 HG11 VAL 56 13.606 2.865 -0.492 387 HG12 VAL 56 HG12 VAL 56 12.901 2.097 -1.938 388 HG13 VAL 56 HG13 VAL 56 12.333 3.697 -1.377 389 HG21 VAL 56 HG21 VAL 56 10.460 1.318 -1.871 390 HG22 VAL 56 HG22 VAL 56 9.504 1.586 -0.415 391 HG23 VAL 56 HG23 VAL 56 10.036 2.969 -1.370 392 H GLY 57 H GLY 57 13.267 -1.451 0.362 393 HA2 GLY 57 HA2 GLY 57 15.761 -1.488 0.541 394 HA3 GLY 57 HA3 GLY 57 15.590 -0.353 1.883
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