NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
467341 | 2kta | 16692 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -15.007 6.094 6.691 2 H2 MET 1 H2 MET 1 -14.783 4.611 7.480 3 H3 MET 1 H3 MET 1 -14.168 6.032 8.162 4 HA MET 1 HA MET 1 -16.169 5.265 9.284 5 HB2 MET 1 HB2 MET 1 -15.552 7.689 9.140 6 HB3 MET 1 HB3 MET 1 -16.621 7.831 7.751 7 HG2 MET 1 HG2 MET 1 -17.712 8.626 9.750 8 HG3 MET 1 HG3 MET 1 -18.518 7.181 9.141 9 HE1 MET 1 HE1 MET 1 -18.848 8.432 12.127 10 HE2 MET 1 HE2 MET 1 -18.899 6.941 13.065 11 HE3 MET 1 HE3 MET 1 -19.758 7.044 11.527 12 H ASN 2 H ASN 2 -17.077 6.628 6.099 13 HA ASN 2 HA ASN 2 -19.209 4.588 5.949 14 HB2 ASN 2 HB2 ASN 2 -19.080 7.337 4.682 15 HB3 ASN 2 HB3 ASN 2 -20.353 6.160 4.381 16 HD21 ASN 2 HD21 ASN 2 -20.604 8.812 5.446 17 HD22 ASN 2 HD22 ASN 2 -21.310 8.653 7.015 18 H GLN 3 H GLN 3 -19.782 4.908 3.221 19 HA GLN 3 HA GLN 3 -17.831 3.256 2.041 20 HB2 GLN 3 HB2 GLN 3 -20.196 3.328 1.316 21 HB3 GLN 3 HB3 GLN 3 -19.936 4.944 0.672 22 HG2 GLN 3 HG2 GLN 3 -19.889 3.291 -1.097 23 HG3 GLN 3 HG3 GLN 3 -18.309 4.053 -0.919 24 HE21 GLN 3 HE21 GLN 3 -17.205 2.359 -1.850 25 HE22 GLN 3 HE22 GLN 3 -17.018 0.822 -1.064 26 H ASN 4 H ASN 4 -18.501 6.727 1.703 27 HA ASN 4 HA ASN 4 -17.329 8.449 0.812 28 HB2 ASN 4 HB2 ASN 4 -15.638 7.396 2.507 29 HB3 ASN 4 HB3 ASN 4 -14.798 6.841 1.063 30 HD21 ASN 4 HD21 ASN 4 -15.710 9.578 2.975 31 HD22 ASN 4 HD22 ASN 4 -14.688 10.732 2.184 32 H LEU 5 H LEU 5 -15.091 8.539 -0.863 33 HA LEU 5 HA LEU 5 -16.118 7.159 -3.246 34 HB2 LEU 5 HB2 LEU 5 -14.191 9.477 -3.005 35 HB3 LEU 5 HB3 LEU 5 -14.804 8.812 -4.508 36 HG LEU 5 HG LEU 5 -16.527 10.112 -2.397 37 HD11 LEU 5 HD11 LEU 5 -15.489 11.222 -4.998 38 HD12 LEU 5 HD12 LEU 5 -15.018 11.740 -3.379 39 HD13 LEU 5 HD13 LEU 5 -16.668 12.001 -3.943 40 HD21 LEU 5 HD21 LEU 5 -18.227 10.124 -4.160 41 HD22 LEU 5 HD22 LEU 5 -17.721 8.484 -3.752 42 HD23 LEU 5 HD23 LEU 5 -17.126 9.252 -5.224 43 H GLN 6 H GLN 6 -14.128 6.475 -0.907 44 HA GLN 6 HA GLN 6 -11.757 5.769 -2.468 45 HB2 GLN 6 HB2 GLN 6 -12.223 5.673 0.521 46 HB3 GLN 6 HB3 GLN 6 -10.687 5.415 -0.297 47 HG2 GLN 6 HG2 GLN 6 -10.659 7.695 -1.061 48 HG3 GLN 6 HG3 GLN 6 -12.261 7.977 -0.381 49 HE21 GLN 6 HE21 GLN 6 -9.766 9.351 0.167 50 HE22 GLN 6 HE22 GLN 6 -9.482 9.174 1.867 51 H GLY 7 H GLY 7 -14.138 4.265 -2.911 52 HA2 GLY 7 HA2 GLY 7 -14.224 1.837 -1.485 53 HA3 GLY 7 HA3 GLY 7 -14.816 2.077 -3.124 54 H GLU 8 H GLU 8 -12.398 2.816 -4.330 55 HA GLU 8 HA GLU 8 -11.165 0.409 -4.967 56 HB2 GLU 8 HB2 GLU 8 -11.015 2.416 -6.358 57 HB3 GLU 8 HB3 GLU 8 -10.061 3.221 -5.122 58 HG2 GLU 8 HG2 GLU 8 -8.296 1.528 -5.429 59 HG3 GLU 8 HG3 GLU 8 -9.243 0.816 -6.735 60 H TRP 9 H TRP 9 -10.087 2.962 -2.755 61 HA TRP 9 HA TRP 9 -7.733 1.796 -1.849 62 HB2 TRP 9 HB2 TRP 9 -8.181 4.073 -1.291 63 HB3 TRP 9 HB3 TRP 9 -9.693 3.657 -0.502 64 HD1 TRP 9 HD1 TRP 9 -9.290 4.399 1.921 65 HE1 TRP 9 HE1 TRP 9 -7.554 3.857 3.750 66 HE3 TRP 9 HE3 TRP 9 -5.978 1.682 -0.883 67 HZ2 TRP 9 HZ2 TRP 9 -5.130 2.459 3.968 68 HZ3 TRP 9 HZ3 TRP 9 -3.976 0.776 0.225 69 HH2 TRP 9 HH2 TRP 9 -3.564 1.158 2.598 70 H MET 10 H MET 10 -11.008 1.552 -0.499 71 HA MET 10 HA MET 10 -10.423 -0.118 1.657 72 HB2 MET 10 HB2 MET 10 -12.596 1.001 1.323 73 HB3 MET 10 HB3 MET 10 -12.947 -0.083 -0.011 74 HG2 MET 10 HG2 MET 10 -14.144 -0.950 1.790 75 HG3 MET 10 HG3 MET 10 -12.718 -1.975 1.674 76 HE1 MET 10 HE1 MET 10 -10.378 -0.679 3.056 77 HE2 MET 10 HE2 MET 10 -10.945 -2.265 3.581 78 HE3 MET 10 HE3 MET 10 -10.617 -1.006 4.771 79 H LYS 11 H LYS 11 -11.275 -0.960 -1.684 80 HA LYS 11 HA LYS 11 -11.373 -3.752 -1.241 81 HB2 LYS 11 HB2 LYS 11 -12.406 -2.429 -3.165 82 HB3 LYS 11 HB3 LYS 11 -10.800 -2.405 -3.877 83 HG2 LYS 11 HG2 LYS 11 -11.420 -5.085 -3.167 84 HG3 LYS 11 HG3 LYS 11 -12.783 -4.408 -4.060 85 HD2 LYS 11 HD2 LYS 11 -11.349 -5.356 -5.681 86 HD3 LYS 11 HD3 LYS 11 -11.092 -3.615 -5.776 87 HE2 LYS 11 HE2 LYS 11 -9.074 -3.808 -4.457 88 HE3 LYS 11 HE3 LYS 11 -9.350 -5.531 -4.235 89 HZ1 LYS 11 HZ1 LYS 11 -9.316 -5.506 -6.840 90 HZ2 LYS 11 HZ2 LYS 11 -7.876 -5.558 -5.952 91 HZ3 LYS 11 HZ3 LYS 11 -8.413 -4.090 -6.609 92 H ASN 12 H ASN 12 -8.855 -1.589 -2.505 93 HA ASN 12 HA ASN 12 -7.022 -3.674 -3.105 94 HB2 ASN 12 HB2 ASN 12 -6.655 -0.700 -2.766 95 HB3 ASN 12 HB3 ASN 12 -5.341 -1.783 -3.199 96 HD21 ASN 12 HD21 ASN 12 -6.370 0.393 -4.742 97 HD22 ASN 12 HD22 ASN 12 -6.967 -0.269 -6.221 98 H TYR 13 H TYR 13 -7.558 -1.654 -0.267 99 HA TYR 13 HA TYR 13 -5.177 -2.222 1.083 100 HB2 TYR 13 HB2 TYR 13 -6.616 -0.470 1.897 101 HB3 TYR 13 HB3 TYR 13 -7.927 -1.612 2.182 102 HD1 TYR 13 HD1 TYR 13 -4.320 -1.280 3.141 103 HD2 TYR 13 HD2 TYR 13 -8.291 -2.156 4.385 104 HE1 TYR 13 HE1 TYR 13 -3.514 -1.645 5.435 105 HE2 TYR 13 HE2 TYR 13 -7.498 -2.524 6.681 106 HH TYR 13 HH TYR 13 -4.352 -1.646 7.708 107 H GLU 14 H GLU 14 -8.327 -3.896 1.289 108 HA GLU 14 HA GLU 14 -7.361 -5.836 3.121 109 HB2 GLU 14 HB2 GLU 14 -9.452 -7.060 2.591 110 HB3 GLU 14 HB3 GLU 14 -9.712 -5.381 3.038 111 HG2 GLU 14 HG2 GLU 14 -9.958 -4.802 0.668 112 HG3 GLU 14 HG3 GLU 14 -9.736 -6.500 0.243 113 H GLU 15 H GLU 15 -7.265 -5.565 -0.319 114 HA GLU 15 HA GLU 15 -6.721 -8.309 -0.886 115 HB2 GLU 15 HB2 GLU 15 -7.553 -6.671 -2.574 116 HB3 GLU 15 HB3 GLU 15 -5.998 -5.853 -2.501 117 HG2 GLU 15 HG2 GLU 15 -4.902 -7.895 -3.304 118 HG3 GLU 15 HG3 GLU 15 -6.476 -8.682 -3.418 119 H LEU 16 H LEU 16 -4.771 -5.455 -0.231 120 HA LEU 16 HA LEU 16 -2.272 -6.807 -0.737 121 HB2 LEU 16 HB2 LEU 16 -2.773 -4.332 -1.116 122 HB3 LEU 16 HB3 LEU 16 -2.690 -4.148 0.623 123 HG LEU 16 HG LEU 16 -0.356 -5.390 -0.755 124 HD11 LEU 16 HD11 LEU 16 -0.888 -3.471 -2.166 125 HD12 LEU 16 HD12 LEU 16 0.581 -3.183 -1.233 126 HD13 LEU 16 HD13 LEU 16 -0.937 -2.431 -0.744 127 HD21 LEU 16 HD21 LEU 16 -0.406 -5.200 1.683 128 HD22 LEU 16 HD22 LEU 16 -0.638 -3.458 1.545 129 HD23 LEU 16 HD23 LEU 16 0.866 -4.194 0.990 130 H LYS 17 H LYS 17 -4.292 -5.899 1.920 131 HA LYS 17 HA LYS 17 -2.731 -6.478 4.127 132 HB2 LYS 17 HB2 LYS 17 -4.976 -5.491 4.198 133 HB3 LYS 17 HB3 LYS 17 -5.671 -7.008 3.655 134 HG2 LYS 17 HG2 LYS 17 -4.887 -8.070 5.724 135 HG3 LYS 17 HG3 LYS 17 -4.285 -6.500 6.267 136 HD2 LYS 17 HD2 LYS 17 -6.567 -5.588 6.083 137 HD3 LYS 17 HD3 LYS 17 -7.149 -7.183 5.606 138 HE2 LYS 17 HE2 LYS 17 -6.326 -8.065 7.782 139 HE3 LYS 17 HE3 LYS 17 -5.921 -6.412 8.251 140 HZ1 LYS 17 HZ1 LYS 17 -8.266 -5.820 7.985 141 HZ2 LYS 17 HZ2 LYS 17 -8.073 -7.058 9.126 142 HZ3 LYS 17 HZ3 LYS 17 -8.633 -7.424 7.568 143 H SER 18 H SER 18 -4.805 -8.638 2.240 144 HA SER 18 HA SER 18 -4.090 -10.980 3.695 145 HB2 SER 18 HB2 SER 18 -5.328 -10.785 0.939 146 HB3 SER 18 HB3 SER 18 -5.391 -12.167 2.033 147 HG SER 18 HG SER 18 -6.745 -9.705 2.169 148 H PHE 19 H PHE 19 -2.857 -9.359 0.856 149 HA PHE 19 HA PHE 19 -1.335 -11.549 -0.150 150 HB2 PHE 19 HB2 PHE 19 -2.078 -9.453 -1.421 151 HB3 PHE 19 HB3 PHE 19 -0.735 -8.631 -0.635 152 HD1 PHE 19 HD2 PHE 19 -1.702 -11.133 -3.109 153 HD2 PHE 19 HD1 PHE 19 1.554 -9.131 -1.238 154 HE1 PHE 19 HE2 PHE 19 -0.198 -11.934 -4.882 155 HE2 PHE 19 HE1 PHE 19 3.063 -9.931 -3.007 156 HZ PHE 19 HZ PHE 19 2.190 -11.336 -4.831 157 H VAL 20 H VAL 20 -0.500 -8.681 1.790 158 HA VAL 20 HA VAL 20 2.207 -9.381 2.140 159 HB VAL 20 HB VAL 20 0.398 -7.505 3.627 160 HG11 VAL 20 HG11 VAL 20 1.928 -8.440 5.304 161 HG12 VAL 20 HG12 VAL 20 2.340 -6.764 4.934 162 HG13 VAL 20 HG13 VAL 20 3.299 -8.078 4.253 163 HG21 VAL 20 HG21 VAL 20 2.893 -7.167 1.980 164 HG22 VAL 20 HG22 VAL 20 1.942 -5.860 2.693 165 HG23 VAL 20 HG23 VAL 20 1.243 -6.870 1.426 166 H ARG 21 H ARG 21 -0.682 -10.237 3.969 167 HA ARG 21 HA ARG 21 0.578 -11.424 6.165 168 HB2 ARG 21 HB2 ARG 21 -1.882 -11.010 5.920 169 HB3 ARG 21 HB3 ARG 21 -1.961 -12.364 4.805 170 HG2 ARG 21 HG2 ARG 21 -0.833 -12.809 7.527 171 HG3 ARG 21 HG3 ARG 21 -2.579 -12.649 7.330 172 HD2 ARG 21 HD2 ARG 21 -2.710 -14.537 5.947 173 HD3 ARG 21 HD3 ARG 21 -0.974 -14.538 5.637 174 HE ARG 21 HE ARG 21 -1.494 -14.910 8.398 175 HH11 ARG 21 HH11 ARG 21 -1.651 -16.592 5.332 176 HH12 ARG 21 HH12 ARG 21 -1.383 -18.163 6.028 177 HH21 ARG 21 HH21 ARG 21 -1.110 -16.944 9.316 178 HH22 ARG 21 HH22 ARG 21 -1.042 -18.360 8.305 179 H LYS 22 H LYS 22 0.523 -12.338 2.876 180 HA LYS 22 HA LYS 22 1.253 -15.109 3.466 181 HB2 LYS 22 HB2 LYS 22 -0.562 -14.703 1.854 182 HB3 LYS 22 HB3 LYS 22 0.546 -13.791 0.842 183 HG2 LYS 22 HG2 LYS 22 1.841 -15.769 0.396 184 HG3 LYS 22 HG3 LYS 22 0.863 -16.704 1.528 185 HD2 LYS 22 HD2 LYS 22 -1.119 -16.281 0.126 186 HD3 LYS 22 HD3 LYS 22 -0.103 -15.414 -1.023 187 HE2 LYS 22 HE2 LYS 22 1.149 -17.413 -1.502 188 HE3 LYS 22 HE3 LYS 22 0.294 -18.296 -0.238 189 HZ1 LYS 22 HZ1 LYS 22 -1.748 -18.075 -1.479 190 HZ2 LYS 22 HZ2 LYS 22 -0.560 -18.791 -2.457 191 HZ3 LYS 22 HZ3 LYS 22 -0.967 -17.161 -2.675 192 H TYR 23 H TYR 23 2.425 -12.291 1.596 193 HA TYR 23 HA TYR 23 5.017 -13.674 1.320 194 HB2 TYR 23 HB2 TYR 23 3.686 -11.597 -0.398 195 HB3 TYR 23 HB3 TYR 23 5.392 -11.987 -0.551 196 HD1 TYR 23 HD2 TYR 23 5.868 -14.606 -0.807 197 HD2 TYR 23 HD1 TYR 23 2.208 -12.669 -1.794 198 HE1 TYR 23 HE2 TYR 23 5.329 -16.432 -2.364 199 HE2 TYR 23 HE1 TYR 23 1.657 -14.491 -3.351 200 HH TYR 23 HH TYR 23 2.956 -16.187 -4.709 201 H ARG 24 H ARG 24 3.538 -10.872 2.697 202 HA ARG 24 HA ARG 24 4.275 -8.871 3.474 203 HB2 ARG 24 HB2 ARG 24 6.748 -10.532 3.903 204 HB3 ARG 24 HB3 ARG 24 6.744 -8.813 4.259 205 HG2 ARG 24 HG2 ARG 24 6.333 -9.939 6.290 206 HG3 ARG 24 HG3 ARG 24 4.799 -9.233 5.784 207 HD2 ARG 24 HD2 ARG 24 3.830 -11.229 5.459 208 HD3 ARG 24 HD3 ARG 24 5.305 -11.962 4.844 209 HE ARG 24 HE ARG 24 5.157 -11.397 7.708 210 HH11 ARG 24 HH11 ARG 24 5.102 -13.752 5.119 211 HH12 ARG 24 HH12 ARG 24 5.263 -15.113 6.183 212 HH21 ARG 24 HH21 ARG 24 5.379 -13.187 9.114 213 HH22 ARG 24 HH22 ARG 24 5.422 -14.798 8.455 214 H ARG 25 H ARG 25 4.054 -7.643 1.675 215 HA ARG 25 HA ARG 25 4.595 -6.317 -0.058 216 HB2 ARG 25 HB2 ARG 25 6.447 -5.615 1.332 217 HB3 ARG 25 HB3 ARG 25 7.399 -6.988 0.807 218 HG2 ARG 25 HG2 ARG 25 7.511 -6.090 -1.432 219 HG3 ARG 25 HG3 ARG 25 6.484 -4.732 -0.952 220 HD2 ARG 25 HD2 ARG 25 8.107 -3.921 0.549 221 HD3 ARG 25 HD3 ARG 25 9.069 -5.388 0.410 222 HE ARG 25 HE ARG 25 9.277 -4.598 -2.050 223 HH11 ARG 25 HH11 ARG 25 9.200 -2.522 0.765 224 HH12 ARG 25 HH12 ARG 25 10.212 -1.305 0.048 225 HH21 ARG 25 HH21 ARG 25 10.595 -3.021 -2.996 226 HH22 ARG 25 HH22 ARG 25 10.978 -1.564 -2.112 227 H PHE 26 H PHE 26 5.494 -6.322 -2.222 228 HA PHE 26 HA PHE 26 6.069 -8.997 -3.245 229 HB2 PHE 26 HB2 PHE 26 4.633 -8.326 -5.282 230 HB3 PHE 26 HB3 PHE 26 3.820 -8.869 -3.823 231 HD1 PHE 26 HD1 PHE 26 2.734 -7.186 -2.331 232 HD2 PHE 26 HD2 PHE 26 4.252 -6.177 -6.175 233 HE1 PHE 26 HE1 PHE 26 1.363 -5.145 -2.331 234 HE2 PHE 26 HE2 PHE 26 2.887 -4.133 -6.180 235 HZ PHE 26 HZ PHE 26 1.439 -3.612 -4.258 236 HA PRO 27 HA PRO 27 9.343 -6.113 -4.607 237 HB2 PRO 27 HB2 PRO 27 10.840 -8.644 -4.815 238 HB3 PRO 27 HB3 PRO 27 11.240 -7.172 -3.927 239 HG2 PRO 27 HG2 PRO 27 10.477 -9.400 -2.655 240 HG3 PRO 27 HG3 PRO 27 10.001 -7.791 -2.075 241 HD2 PRO 27 HD2 PRO 27 8.408 -9.794 -3.638 242 HD3 PRO 27 HD3 PRO 27 7.908 -8.781 -2.267 243 H LYS 28 H LYS 28 7.978 -8.941 -6.076 244 HA LYS 28 HA LYS 28 9.381 -8.544 -8.590 245 HB2 LYS 28 HB2 LYS 28 8.911 -10.833 -7.784 246 HB3 LYS 28 HB3 LYS 28 7.188 -10.499 -7.873 247 HG2 LYS 28 HG2 LYS 28 7.356 -10.209 -10.288 248 HG3 LYS 28 HG3 LYS 28 9.092 -10.519 -10.208 249 HD2 LYS 28 HD2 LYS 28 6.922 -12.451 -9.396 250 HD3 LYS 28 HD3 LYS 28 7.845 -12.515 -10.899 251 HE2 LYS 28 HE2 LYS 28 9.900 -12.848 -9.644 252 HE3 LYS 28 HE3 LYS 28 9.016 -12.707 -8.126 253 HZ1 LYS 28 HZ1 LYS 28 7.762 -14.687 -8.723 254 HZ2 LYS 28 HZ2 LYS 28 9.426 -15.011 -8.671 255 HZ3 LYS 28 HZ3 LYS 28 8.643 -14.831 -10.164 256 H SER 29 H SER 29 6.037 -8.511 -7.413 257 HA SER 29 HA SER 29 4.212 -7.327 -7.986 258 HB2 SER 29 HB2 SER 29 5.883 -5.411 -7.867 259 HB3 SER 29 HB3 SER 29 5.983 -5.513 -9.624 260 HG SER 29 HG SER 29 3.447 -5.379 -8.473 261 H THR 30 H THR 30 3.502 -9.153 -9.154 262 HA THR 30 HA THR 30 3.291 -8.653 -12.034 263 HB THR 30 HB THR 30 3.490 -11.186 -12.372 264 HG1 THR 30 HG1 THR 30 3.756 -12.254 -10.567 265 HG21 THR 30 HG21 THR 30 5.955 -9.632 -11.572 266 HG22 THR 30 HG22 THR 30 5.194 -9.626 -13.162 267 HG23 THR 30 HG23 THR 30 5.938 -11.100 -12.547 268 H GLU 31 H GLU 31 1.570 -8.525 -9.521 269 HA GLU 31 HA GLU 31 -0.405 -10.597 -10.116 270 HB2 GLU 31 HB2 GLU 31 -1.422 -9.917 -7.914 271 HB3 GLU 31 HB3 GLU 31 0.185 -10.616 -7.823 272 HG2 GLU 31 HG2 GLU 31 -0.389 -7.662 -7.730 273 HG3 GLU 31 HG3 GLU 31 -0.177 -8.687 -6.312 274 H GLY 32 H GLY 32 0.084 -7.828 -11.427 275 HA2 GLY 32 HA2 GLY 32 -1.322 -6.608 -12.790 276 HA3 GLY 32 HA3 GLY 32 -2.658 -7.573 -12.192 277 H ASN 33 H ASN 33 -3.609 -6.952 -10.118 278 HA ASN 33 HA ASN 33 -4.264 -4.203 -10.256 279 HB2 ASN 33 HB2 ASN 33 -5.923 -5.829 -9.545 280 HB3 ASN 33 HB3 ASN 33 -4.950 -6.257 -8.141 281 HD21 ASN 33 HD21 ASN 33 -5.074 -5.039 -6.323 282 HD22 ASN 33 HD22 ASN 33 -6.084 -3.635 -6.161 283 H LEU 34 H LEU 34 -2.664 -6.038 -7.633 284 HA LEU 34 HA LEU 34 -1.944 -3.710 -6.174 285 HB2 LEU 34 HB2 LEU 34 -0.816 -6.504 -6.140 286 HB3 LEU 34 HB3 LEU 34 -0.304 -5.239 -5.041 287 HG LEU 34 HG LEU 34 -3.093 -6.388 -5.232 288 HD11 LEU 34 HD11 LEU 34 -1.518 -7.943 -4.238 289 HD12 LEU 34 HD12 LEU 34 -2.606 -7.295 -3.009 290 HD13 LEU 34 HD13 LEU 34 -0.954 -6.690 -3.132 291 HD21 LEU 34 HD21 LEU 34 -3.551 -5.053 -3.234 292 HD22 LEU 34 HD22 LEU 34 -3.132 -4.032 -4.610 293 HD23 LEU 34 HD23 LEU 34 -1.944 -4.337 -3.340 294 H GLY 35 H GLY 35 -0.394 -5.572 -8.693 295 HA2 GLY 35 HA2 GLY 35 2.168 -4.475 -8.585 296 HA3 GLY 35 HA3 GLY 35 1.405 -5.111 -10.034 297 H GLY 36 H GLY 36 -0.713 -3.358 -10.285 298 HA2 GLY 36 HA2 GLY 36 0.592 -1.108 -11.485 299 HA3 GLY 36 HA3 GLY 36 -1.145 -1.373 -11.385 300 H TRP 37 H TRP 37 -1.363 -1.613 -8.604 301 HA TRP 37 HA TRP 37 -1.637 1.051 -7.783 302 HB2 TRP 37 HB2 TRP 37 -2.749 -1.088 -6.856 303 HB3 TRP 37 HB3 TRP 37 -1.304 -1.242 -5.860 304 HD1 TRP 37 HD1 TRP 37 -4.012 1.423 -6.586 305 HE1 TRP 37 HE1 TRP 37 -4.459 2.725 -4.421 306 HE3 TRP 37 HE3 TRP 37 -0.558 -0.839 -3.578 307 HZ2 TRP 37 HZ2 TRP 37 -3.477 2.773 -1.766 308 HZ3 TRP 37 HZ3 TRP 37 -0.377 -0.109 -1.237 309 HH2 TRP 37 HH2 TRP 37 -1.804 1.658 -0.352 310 H CYS 38 H CYS 38 0.888 -1.344 -7.118 311 HA CYS 38 HA CYS 38 2.447 0.270 -5.400 312 HB2 CYS 38 HB2 CYS 38 2.677 -2.182 -5.548 313 HB3 CYS 38 HB3 CYS 38 3.317 -2.023 -7.178 314 HG CYS 38 HG CYS 38 5.549 -2.547 -5.788 315 H HIS 39 H HIS 39 2.443 -0.186 -8.901 316 HA HIS 39 HA HIS 39 4.800 1.215 -9.494 317 HB2 HIS 39 HB2 HIS 39 2.355 0.484 -11.024 318 HB3 HIS 39 HB3 HIS 39 3.385 1.741 -11.700 319 HD1 HIS 39 HD1 HIS 39 3.603 -1.877 -10.562 320 HD2 HIS 39 HD2 HIS 39 5.565 0.825 -13.038 321 HE1 HIS 39 HE1 HIS 39 5.332 -3.221 -11.796 322 HE2 HIS 39 HE2 HIS 39 6.321 -1.608 -13.460 323 H THR 40 H THR 40 1.438 2.370 -9.333 324 HA THR 40 HA THR 40 2.057 5.104 -9.746 325 HB THR 40 HB THR 40 -0.298 4.040 -8.173 326 HG1 THR 40 HG1 THR 40 -1.338 3.801 -10.191 327 HG21 THR 40 HG21 THR 40 -1.448 6.000 -9.092 328 HG22 THR 40 HG22 THR 40 0.020 6.470 -9.949 329 HG23 THR 40 HG23 THR 40 -0.015 6.482 -8.186 330 H GLN 41 H GLN 41 1.969 3.040 -6.930 331 HA GLN 41 HA GLN 41 1.823 5.036 -4.950 332 HB2 GLN 41 HB2 GLN 41 1.590 2.368 -4.927 333 HB3 GLN 41 HB3 GLN 41 3.242 2.507 -4.342 334 HG2 GLN 41 HG2 GLN 41 1.726 2.400 -2.492 335 HG3 GLN 41 HG3 GLN 41 2.471 3.995 -2.557 336 HE21 GLN 41 HE21 GLN 41 -0.058 3.036 -4.754 337 HE22 GLN 41 HE22 GLN 41 -1.286 4.058 -4.091 338 H ARG 42 H ARG 42 4.500 3.684 -6.731 339 HA ARG 42 HA ARG 42 6.651 4.431 -5.151 340 HB2 ARG 42 HB2 ARG 42 6.333 4.310 -8.146 341 HB3 ARG 42 HB3 ARG 42 7.862 4.733 -7.391 342 HG2 ARG 42 HG2 ARG 42 6.359 2.149 -7.040 343 HG3 ARG 42 HG3 ARG 42 7.832 2.393 -7.982 344 HD2 ARG 42 HD2 ARG 42 8.814 3.280 -5.762 345 HD3 ARG 42 HD3 ARG 42 7.450 2.450 -5.015 346 HE ARG 42 HE ARG 42 8.807 0.710 -6.792 347 HH11 ARG 42 HH11 ARG 42 9.079 2.185 -3.629 348 HH12 ARG 42 HH12 ARG 42 10.177 0.981 -3.015 349 HH21 ARG 42 HH21 ARG 42 10.257 -0.885 -5.983 350 HH22 ARG 42 HH22 ARG 42 10.827 -0.747 -4.341 351 H LYS 43 H LYS 43 4.869 6.357 -7.527 352 HA LYS 43 HA LYS 43 6.549 8.649 -7.219 353 HB2 LYS 43 HB2 LYS 43 3.837 8.327 -8.516 354 HB3 LYS 43 HB3 LYS 43 4.778 9.814 -8.556 355 HG2 LYS 43 HG2 LYS 43 5.226 8.799 -10.599 356 HG3 LYS 43 HG3 LYS 43 6.626 8.384 -9.607 357 HD2 LYS 43 HD2 LYS 43 6.002 6.396 -10.704 358 HD3 LYS 43 HD3 LYS 43 5.424 6.228 -9.055 359 HE2 LYS 43 HE2 LYS 43 3.718 5.459 -10.564 360 HE3 LYS 43 HE3 LYS 43 3.183 6.956 -9.801 361 HZ1 LYS 43 HZ1 LYS 43 2.708 6.901 -12.181 362 HZ2 LYS 43 HZ2 LYS 43 4.365 6.754 -12.519 363 HZ3 LYS 43 HZ3 LYS 43 3.774 8.165 -11.791 364 H MET 44 H MET 44 3.805 7.405 -5.579 365 HA MET 44 HA MET 44 2.814 9.844 -4.513 366 HB2 MET 44 HB2 MET 44 2.657 7.099 -3.239 367 HB3 MET 44 HB3 MET 44 1.630 8.476 -2.885 368 HG2 MET 44 HG2 MET 44 1.700 6.950 -5.483 369 HG3 MET 44 HG3 MET 44 0.492 6.786 -4.215 370 HE1 MET 44 HE1 MET 44 2.194 9.634 -6.435 371 HE2 MET 44 HE2 MET 44 0.765 10.122 -7.346 372 HE3 MET 44 HE3 MET 44 1.383 8.476 -7.487 373 H ARG 45 H ARG 45 5.054 7.390 -3.328 374 HA ARG 45 HA ARG 45 5.680 8.809 -0.922 375 HB2 ARG 45 HB2 ARG 45 5.795 6.341 -1.119 376 HB3 ARG 45 HB3 ARG 45 7.118 6.501 -2.252 377 HG2 ARG 45 HG2 ARG 45 7.370 7.693 0.469 378 HG3 ARG 45 HG3 ARG 45 7.555 5.954 0.261 379 HD2 ARG 45 HD2 ARG 45 9.143 8.073 -1.185 380 HD3 ARG 45 HD3 ARG 45 9.707 7.146 0.204 381 HE ARG 45 HE ARG 45 9.428 6.217 -2.536 382 HH11 ARG 45 HH11 ARG 45 9.991 5.361 0.824 383 HH12 ARG 45 HH12 ARG 45 10.732 3.838 0.432 384 HH21 ARG 45 HH21 ARG 45 10.469 4.235 -3.045 385 HH22 ARG 45 HH22 ARG 45 11.023 3.201 -1.750 386 H LYS 46 H LYS 46 7.084 8.476 -4.117 387 HA LYS 46 HA LYS 46 9.499 9.828 -3.682 388 HB2 LYS 46 HB2 LYS 46 9.199 8.584 -5.698 389 HB3 LYS 46 HB3 LYS 46 7.762 9.494 -6.133 390 HG2 LYS 46 HG2 LYS 46 10.333 10.963 -5.884 391 HG3 LYS 46 HG3 LYS 46 10.090 9.926 -7.290 392 HD2 LYS 46 HD2 LYS 46 8.032 11.134 -7.829 393 HD3 LYS 46 HD3 LYS 46 8.243 12.144 -6.399 394 HE2 LYS 46 HE2 LYS 46 8.983 13.368 -8.321 395 HE3 LYS 46 HE3 LYS 46 10.387 12.947 -7.345 396 HZ1 LYS 46 HZ1 LYS 46 10.761 12.614 -9.716 397 HZ2 LYS 46 HZ2 LYS 46 9.500 11.485 -9.773 398 HZ3 LYS 46 HZ3 LYS 46 10.893 11.154 -8.859 399 H GLN 47 H GLN 47 6.313 11.050 -4.675 400 HA GLN 47 HA GLN 47 7.209 13.757 -4.893 401 HB2 GLN 47 HB2 GLN 47 5.219 12.613 -6.081 402 HB3 GLN 47 HB3 GLN 47 4.347 12.888 -4.582 403 HG2 GLN 47 HG2 GLN 47 4.654 15.261 -4.770 404 HG3 GLN 47 HG3 GLN 47 5.659 15.052 -6.202 405 HE21 GLN 47 HE21 GLN 47 3.954 12.929 -7.280 406 HE22 GLN 47 HE22 GLN 47 2.536 13.716 -7.875 407 H GLY 48 H GLY 48 5.770 11.794 -2.394 408 HA2 GLY 48 HA2 GLY 48 5.799 12.263 -0.098 409 HA3 GLY 48 HA3 GLY 48 6.167 13.944 -0.464 410 H LYS 49 H LYS 49 3.607 12.409 -2.188 411 HA LYS 49 HA LYS 49 1.693 14.149 -0.816 412 HB2 LYS 49 HB2 LYS 49 0.200 13.754 -2.680 413 HB3 LYS 49 HB3 LYS 49 1.775 14.241 -3.291 414 HG2 LYS 49 HG2 LYS 49 2.208 12.200 -4.208 415 HG3 LYS 49 HG3 LYS 49 1.214 11.337 -3.033 416 HD2 LYS 49 HD2 LYS 49 0.153 13.079 -5.262 417 HD3 LYS 49 HD3 LYS 49 0.241 11.316 -5.301 418 HE2 LYS 49 HE2 LYS 49 -1.197 11.256 -3.277 419 HE3 LYS 49 HE3 LYS 49 -1.369 13.006 -3.392 420 HZ1 LYS 49 HZ1 LYS 49 -2.290 12.625 -5.669 421 HZ2 LYS 49 HZ2 LYS 49 -3.254 12.036 -4.406 422 HZ3 LYS 49 HZ3 LYS 49 -2.318 10.962 -5.324 423 H LEU 50 H LEU 50 2.843 11.105 -0.639 424 HA LEU 50 HA LEU 50 0.643 9.410 -0.417 425 HB2 LEU 50 HB2 LEU 50 3.446 9.402 0.154 426 HB3 LEU 50 HB3 LEU 50 2.609 8.715 1.527 427 HG LEU 50 HG LEU 50 2.535 7.726 -1.322 428 HD11 LEU 50 HD11 LEU 50 3.649 6.519 1.204 429 HD12 LEU 50 HD12 LEU 50 4.587 7.201 -0.124 430 HD13 LEU 50 HD13 LEU 50 3.619 5.749 -0.382 431 HD21 LEU 50 HD21 LEU 50 1.193 5.884 -0.503 432 HD22 LEU 50 HD22 LEU 50 0.358 7.418 -0.257 433 HD23 LEU 50 HD23 LEU 50 1.143 6.613 1.101 434 HA PRO 51 HA PRO 51 -1.044 10.823 3.516 435 HB2 PRO 51 HB2 PRO 51 -2.820 8.562 3.523 436 HB3 PRO 51 HB3 PRO 51 -3.198 10.240 3.132 437 HG2 PRO 51 HG2 PRO 51 -3.233 8.162 1.322 438 HG3 PRO 51 HG3 PRO 51 -3.048 9.871 0.892 439 HD2 PRO 51 HD2 PRO 51 -0.971 7.743 1.140 440 HD3 PRO 51 HD3 PRO 51 -1.088 9.077 -0.019 441 H ASN 52 H ASN 52 -0.231 10.441 5.434 442 HA ASN 52 HA ASN 52 1.372 8.225 6.059 443 HB2 ASN 52 HB2 ASN 52 0.312 10.535 7.570 444 HB3 ASN 52 HB3 ASN 52 0.822 9.144 8.524 445 HD21 ASN 52 HD21 ASN 52 1.830 11.614 6.296 446 HD22 ASN 52 HD22 ASN 52 3.528 11.463 6.591 447 H ASP 53 H ASP 53 -2.060 8.744 6.525 448 HA ASP 53 HA ASP 53 -2.456 6.568 8.302 449 HB2 ASP 53 HB2 ASP 53 -4.318 7.927 6.352 450 HB3 ASP 53 HB3 ASP 53 -4.834 6.627 7.423 451 H ARG 54 H ARG 54 -2.653 6.853 4.784 452 HA ARG 54 HA ARG 54 -3.204 4.149 4.228 453 HB2 ARG 54 HB2 ARG 54 -3.313 6.181 2.657 454 HB3 ARG 54 HB3 ARG 54 -1.577 6.000 2.473 455 HG2 ARG 54 HG2 ARG 54 -3.127 3.557 1.983 456 HG3 ARG 54 HG3 ARG 54 -3.442 4.878 0.859 457 HD2 ARG 54 HD2 ARG 54 -1.705 3.579 -0.093 458 HD3 ARG 54 HD3 ARG 54 -0.948 5.041 0.530 459 HE ARG 54 HE ARG 54 -0.882 2.947 2.448 460 HH11 ARG 54 HH11 ARG 54 0.649 4.034 -0.506 461 HH12 ARG 54 HH12 ARG 54 2.172 3.289 -0.131 462 HH21 ARG 54 HH21 ARG 54 1.108 1.983 2.946 463 HH22 ARG 54 HH22 ARG 54 2.434 2.114 1.838 464 H ARG 55 H ARG 55 -0.235 5.972 4.621 465 HA ARG 55 HA ARG 55 1.620 3.964 3.993 466 HB2 ARG 55 HB2 ARG 55 2.121 6.377 4.140 467 HB3 ARG 55 HB3 ARG 55 1.878 6.320 5.876 468 HG2 ARG 55 HG2 ARG 55 3.905 4.488 4.746 469 HG3 ARG 55 HG3 ARG 55 4.275 6.211 4.730 470 HD2 ARG 55 HD2 ARG 55 3.824 6.307 7.147 471 HD3 ARG 55 HD3 ARG 55 3.519 4.571 7.144 472 HE ARG 55 HE ARG 55 6.126 5.769 6.418 473 HH11 ARG 55 HH11 ARG 55 4.221 3.376 8.110 474 HH12 ARG 55 HH12 ARG 55 5.594 2.432 8.599 475 HH21 ARG 55 HH21 ARG 55 7.942 4.551 7.089 476 HH22 ARG 55 HH22 ARG 55 7.715 3.119 8.038 477 H LEU 56 H LEU 56 0.149 4.917 7.055 478 HA LEU 56 HA LEU 56 1.633 3.134 8.682 479 HB2 LEU 56 HB2 LEU 56 0.453 5.247 9.384 480 HB3 LEU 56 HB3 LEU 56 -1.054 4.359 9.279 481 HG LEU 56 HG LEU 56 1.056 3.175 10.995 482 HD11 LEU 56 HD11 LEU 56 1.262 5.529 11.556 483 HD12 LEU 56 HD12 LEU 56 0.460 4.653 12.861 484 HD13 LEU 56 HD13 LEU 56 -0.485 5.652 11.756 485 HD21 LEU 56 HD21 LEU 56 -1.919 3.594 11.300 486 HD22 LEU 56 HD22 LEU 56 -0.891 2.669 12.395 487 HD23 LEU 56 HD23 LEU 56 -1.135 2.120 10.737 488 H LEU 57 H LEU 57 -1.583 2.926 7.187 489 HA LEU 57 HA LEU 57 -2.447 0.599 8.457 490 HB2 LEU 57 HB2 LEU 57 -3.202 2.096 6.053 491 HB3 LEU 57 HB3 LEU 57 -3.590 0.389 5.979 492 HG LEU 57 HG LEU 57 -4.880 0.586 8.062 493 HD11 LEU 57 HD11 LEU 57 -5.394 2.796 8.982 494 HD12 LEU 57 HD12 LEU 57 -4.236 3.524 7.868 495 HD13 LEU 57 HD13 LEU 57 -3.678 2.411 9.117 496 HD21 LEU 57 HD21 LEU 57 -5.666 2.586 5.948 497 HD22 LEU 57 HD22 LEU 57 -6.740 1.873 7.152 498 HD23 LEU 57 HD23 LEU 57 -6.000 0.854 5.917 499 H LEU 58 H LEU 58 -0.559 0.936 5.460 500 HA LEU 58 HA LEU 58 -0.426 -1.880 5.012 501 HB2 LEU 58 HB2 LEU 58 0.905 0.502 3.833 502 HB3 LEU 58 HB3 LEU 58 1.688 -1.050 3.615 503 HG LEU 58 HG LEU 58 -0.479 -1.901 2.648 504 HD11 LEU 58 HD11 LEU 58 -1.174 1.030 2.630 505 HD12 LEU 58 HD12 LEU 58 -1.973 -0.225 3.579 506 HD13 LEU 58 HD13 LEU 58 -2.073 -0.253 1.818 507 HD21 LEU 58 HD21 LEU 58 0.902 0.375 1.237 508 HD22 LEU 58 HD22 LEU 58 -0.116 -0.841 0.466 509 HD23 LEU 58 HD23 LEU 58 1.399 -1.318 1.234 510 H ASP 59 H ASP 59 1.550 0.408 6.771 511 HA ASP 59 HA ASP 59 3.796 -1.260 7.170 512 HB2 ASP 59 HB2 ASP 59 3.719 1.209 7.577 513 HB3 ASP 59 HB3 ASP 59 2.752 0.899 9.014 514 H LYS 60 H LYS 60 0.769 -0.823 8.864 515 HA LYS 60 HA LYS 60 1.392 -2.386 11.138 516 HB2 LYS 60 HB2 LYS 60 -0.891 -0.942 10.068 517 HB3 LYS 60 HB3 LYS 60 -1.366 -2.430 10.870 518 HG2 LYS 60 HG2 LYS 60 -1.364 -0.432 12.335 519 HG3 LYS 60 HG3 LYS 60 -0.342 -1.749 12.908 520 HD2 LYS 60 HD2 LYS 60 1.633 -0.621 12.056 521 HD3 LYS 60 HD3 LYS 60 0.628 0.669 11.388 522 HE2 LYS 60 HE2 LYS 60 1.701 1.267 13.543 523 HE3 LYS 60 HE3 LYS 60 -0.058 1.347 13.584 524 HZ1 LYS 60 HZ1 LYS 60 0.920 0.286 15.561 525 HZ2 LYS 60 HZ2 LYS 60 1.536 -0.952 14.578 526 HZ3 LYS 60 HZ3 LYS 60 -0.141 -0.739 14.725 527 H ILE 61 H ILE 61 0.091 -3.191 7.968 528 HA ILE 61 HA ILE 61 -0.648 -5.848 8.849 529 HB ILE 61 HB ILE 61 -1.211 -6.300 6.483 530 HG12 ILE 61 HG12 ILE 61 -0.392 -3.418 6.069 531 HG13 ILE 61 HG13 ILE 61 0.432 -4.826 5.413 532 HG21 ILE 61 HG21 ILE 61 -3.133 -4.786 6.379 533 HG22 ILE 61 HG22 ILE 61 -2.396 -3.774 7.623 534 HG23 ILE 61 HG23 ILE 61 -2.887 -5.424 8.005 535 HD11 ILE 61 HD11 ILE 61 -2.362 -3.934 4.737 536 HD12 ILE 61 HD12 ILE 61 -1.544 -5.351 4.079 537 HD13 ILE 61 HD13 ILE 61 -0.929 -3.737 3.729 538 H GLY 62 H GLY 62 2.189 -4.340 7.937 539 HA2 GLY 62 HA2 GLY 62 4.198 -5.599 8.368 540 HA3 GLY 62 HA3 GLY 62 3.424 -6.995 7.637 541 H PHE 63 H PHE 63 2.977 -4.004 5.981 542 HA PHE 63 HA PHE 63 4.586 -4.975 3.790 543 HB2 PHE 63 HB2 PHE 63 2.438 -3.801 3.370 544 HB3 PHE 63 HB3 PHE 63 3.113 -2.338 4.078 545 HD1 PHE 63 HD2 PHE 63 3.274 -4.641 1.216 546 HD2 PHE 63 HD1 PHE 63 4.573 -0.927 2.836 547 HE1 PHE 63 HE2 PHE 63 4.114 -3.976 -0.997 548 HE2 PHE 63 HE1 PHE 63 5.416 -0.253 0.626 549 HZ PHE 63 HZ PHE 63 5.187 -1.778 -1.294 550 H VAL 64 H VAL 64 6.661 -4.889 4.024 551 HA VAL 64 HA VAL 64 7.950 -2.856 5.571 552 HB VAL 64 HB VAL 64 8.665 -5.217 5.596 553 HG11 VAL 64 HG11 VAL 64 9.998 -6.117 3.750 554 HG12 VAL 64 HG12 VAL 64 9.621 -4.687 2.790 555 HG13 VAL 64 HG13 VAL 64 8.332 -5.792 3.268 556 HG21 VAL 64 HG21 VAL 64 10.765 -3.275 4.650 557 HG22 VAL 64 HG22 VAL 64 11.079 -4.788 5.499 558 HG23 VAL 64 HG23 VAL 64 10.208 -3.487 6.309 559 H TRP 65 H TRP 65 9.114 -1.156 4.870 560 HA TRP 65 HA TRP 65 8.805 -0.415 2.074 561 HB2 TRP 65 HB2 TRP 65 9.952 1.159 4.392 562 HB3 TRP 65 HB3 TRP 65 9.578 1.794 2.792 563 HD1 TRP 65 HD1 TRP 65 7.933 0.787 6.070 564 HE1 TRP 65 HE1 TRP 65 5.480 1.558 6.046 565 HE3 TRP 65 HE3 TRP 65 7.604 2.264 1.189 566 HZ2 TRP 65 HZ2 TRP 65 3.646 2.653 4.193 567 HZ3 TRP 65 HZ3 TRP 65 5.467 3.160 0.370 568 HH2 TRP 65 HH2 TRP 65 3.533 3.350 1.841 569 H SER 66 H SER 66 11.208 -1.406 4.341 570 HA SER 66 HA SER 66 13.360 -2.070 4.147 571 HB2 SER 66 HB2 SER 66 12.905 -1.921 1.158 572 HB3 SER 66 HB3 SER 66 14.196 -2.795 1.978 573 HG SER 66 HG SER 66 12.660 -4.191 2.855 574 H LEU 67 H LEU 67 15.531 -1.392 2.930 575 HA LEU 67 HA LEU 67 15.494 1.535 2.698 576 HB2 LEU 67 HB2 LEU 67 17.744 -0.311 3.489 577 HB3 LEU 67 HB3 LEU 67 17.946 1.404 3.182 578 HG LEU 67 HG LEU 67 16.285 0.166 5.380 579 HD11 LEU 67 HD11 LEU 67 17.929 1.240 6.845 580 HD12 LEU 67 HD12 LEU 67 18.837 1.761 5.427 581 HD13 LEU 67 HD13 LEU 67 18.670 0.043 5.783 582 HD21 LEU 67 HD21 LEU 67 16.747 3.067 4.684 583 HD22 LEU 67 HD22 LEU 67 15.944 2.478 6.140 584 HD23 LEU 67 HD23 LEU 67 15.220 2.192 4.558 585 H GLU 68 H GLU 68 14.866 1.468 0.572 586 HA GLU 68 HA GLU 68 16.394 0.019 -1.408 587 HB2 GLU 68 HB2 GLU 68 14.288 2.118 -1.918 588 HB3 GLU 68 HB3 GLU 68 14.758 0.780 -2.959 589 HG2 GLU 68 HG2 GLU 68 13.635 -0.785 -1.660 590 HG3 GLU 68 HG3 GLU 68 13.563 0.286 -0.262 591 H HIS 69 H HIS 69 15.872 3.319 -0.352 592 HA HIS 69 HA HIS 69 17.991 4.297 -2.098 593 HB2 HIS 69 HB2 HIS 69 15.924 5.640 -1.853 594 HB3 HIS 69 HB3 HIS 69 16.240 5.792 -0.129 595 HD1 HIS 69 HD1 HIS 69 17.945 6.677 -3.418 596 HD2 HIS 69 HD2 HIS 69 17.638 8.033 0.507 597 HE1 HIS 69 HE1 HIS 69 19.200 8.861 -3.348 598 HE2 HIS 69 HE2 HIS 69 18.887 9.727 -1.002 599 H HIS 70 H HIS 70 19.873 3.518 -1.294 600 HA HIS 70 HA HIS 70 20.387 3.430 1.535 601 HB2 HIS 70 HB2 HIS 70 21.300 1.715 0.026 602 HB3 HIS 70 HB3 HIS 70 22.244 2.946 -0.805 603 HD1 HIS 70 HD1 HIS 70 24.529 2.005 -0.231 604 HD2 HIS 70 HD2 HIS 70 22.155 2.692 3.116 605 HE1 HIS 70 HE1 HIS 70 26.052 1.733 1.754 606 HE2 HIS 70 HE2 HIS 70 24.582 2.099 3.774 607 H HIS 71 H HIS 71 20.206 5.542 2.205 608 HA HIS 71 HA HIS 71 22.582 7.084 2.203 609 HB2 HIS 71 HB2 HIS 71 21.598 7.595 -0.105 610 HB3 HIS 71 HB3 HIS 71 20.280 8.390 0.740 611 HD1 HIS 71 HD1 HIS 71 23.163 9.244 -0.982 612 HD2 HIS 71 HD2 HIS 71 21.633 10.414 2.706 613 HE1 HIS 71 HE1 HIS 71 24.255 11.451 -0.461 614 HE2 HIS 71 HE2 HIS 71 23.430 12.065 1.837 615 H HIS 72 H HIS 72 22.185 6.919 4.434 616 HA HIS 72 HA HIS 72 19.726 8.155 5.436 617 HB2 HIS 72 HB2 HIS 72 20.333 7.223 7.632 618 HB3 HIS 72 HB3 HIS 72 20.254 5.972 6.402 619 HD1 HIS 72 HD1 HIS 72 22.439 7.363 8.987 620 HD2 HIS 72 HD2 HIS 72 22.882 5.042 5.556 621 HE1 HIS 72 HE1 HIS 72 24.725 6.333 9.148 622 HE2 HIS 72 HE2 HIS 72 25.024 5.036 7.008 623 H HIS 73 H HIS 73 19.685 10.124 6.237 624 HA HIS 73 HA HIS 73 22.173 11.629 6.385 625 HB2 HIS 73 HB2 HIS 73 19.864 12.405 5.389 626 HB3 HIS 73 HB3 HIS 73 19.486 12.777 7.067 627 HD1 HIS 73 HD1 HIS 73 21.488 13.914 4.171 628 HD2 HIS 73 HD2 HIS 73 20.962 14.924 8.168 629 HE1 HIS 73 HE1 HIS 73 22.586 16.158 4.448 630 HE2 HIS 73 HE2 HIS 73 22.039 16.849 6.810 631 H HIS 74 H HIS 74 20.304 9.770 8.370 632 HA HIS 74 HA HIS 74 21.781 10.671 10.705 633 HB2 HIS 74 HB2 HIS 74 19.593 11.847 10.832 634 HB3 HIS 74 HB3 HIS 74 18.766 10.300 10.722 635 HD1 HIS 74 HD1 HIS 74 20.675 12.476 13.098 636 HD2 HIS 74 HD2 HIS 74 18.718 8.803 13.094 637 HE1 HIS 74 HE1 HIS 74 20.423 11.838 15.513 638 HE2 HIS 74 HE2 HIS 74 19.080 9.712 15.487 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -8.909 7.623 -16.872 2 H2 MET 1 H2 MET 1 -9.166 8.603 -18.231 3 H3 MET 1 H3 MET 1 -7.674 7.836 -18.010 4 HA MET 1 HA MET 1 -9.107 6.786 -19.700 5 HB2 MET 1 HB2 MET 1 -8.461 5.103 -17.262 6 HB3 MET 1 HB3 MET 1 -8.803 4.473 -18.866 7 HG2 MET 1 HG2 MET 1 -6.459 4.425 -18.592 8 HG3 MET 1 HG3 MET 1 -6.814 5.752 -19.695 9 HE1 MET 1 HE1 MET 1 -3.666 7.005 -17.704 10 HE2 MET 1 HE2 MET 1 -4.335 6.658 -19.297 11 HE3 MET 1 HE3 MET 1 -4.020 5.341 -18.170 12 H ASN 2 H ASN 2 -10.168 5.347 -16.661 13 HA ASN 2 HA ASN 2 -12.891 6.235 -17.044 14 HB2 ASN 2 HB2 ASN 2 -13.804 3.905 -17.009 15 HB3 ASN 2 HB3 ASN 2 -12.927 4.291 -18.483 16 HD21 ASN 2 HD21 ASN 2 -12.898 2.455 -15.522 17 HD22 ASN 2 HD22 ASN 2 -11.631 1.369 -15.985 18 H GLN 3 H GLN 3 -10.982 6.758 -15.081 19 HA GLN 3 HA GLN 3 -11.034 5.070 -12.847 20 HB2 GLN 3 HB2 GLN 3 -10.480 7.992 -13.233 21 HB3 GLN 3 HB3 GLN 3 -10.545 7.315 -11.613 22 HG2 GLN 3 HG2 GLN 3 -8.268 7.413 -12.358 23 HG3 GLN 3 HG3 GLN 3 -8.768 5.734 -12.215 24 HE21 GLN 3 HE21 GLN 3 -7.114 5.067 -13.568 25 HE22 GLN 3 HE22 GLN 3 -7.152 5.325 -15.276 26 H ASN 4 H ASN 4 -12.877 4.375 -11.998 27 HA ASN 4 HA ASN 4 -15.194 6.111 -11.778 28 HB2 ASN 4 HB2 ASN 4 -14.768 3.194 -11.106 29 HB3 ASN 4 HB3 ASN 4 -16.286 4.038 -10.837 30 HD21 ASN 4 HD21 ASN 4 -17.513 4.695 -12.619 31 HD22 ASN 4 HD22 ASN 4 -17.275 3.993 -14.189 32 H LEU 5 H LEU 5 -16.465 5.961 -9.683 33 HA LEU 5 HA LEU 5 -14.668 6.209 -7.385 34 HB2 LEU 5 HB2 LEU 5 -16.341 7.997 -7.728 35 HB3 LEU 5 HB3 LEU 5 -17.624 6.809 -7.607 36 HG LEU 5 HG LEU 5 -16.951 6.346 -5.270 37 HD11 LEU 5 HD11 LEU 5 -15.398 7.822 -4.136 38 HD12 LEU 5 HD12 LEU 5 -15.078 8.678 -5.645 39 HD13 LEU 5 HD13 LEU 5 -14.592 6.990 -5.467 40 HD21 LEU 5 HD21 LEU 5 -17.538 9.242 -5.871 41 HD22 LEU 5 HD22 LEU 5 -17.803 8.433 -4.327 42 HD23 LEU 5 HD23 LEU 5 -18.727 7.945 -5.748 43 H GLN 6 H GLN 6 -14.211 3.957 -7.405 44 HA GLN 6 HA GLN 6 -16.446 2.211 -6.614 45 HB2 GLN 6 HB2 GLN 6 -15.382 1.644 -8.776 46 HB3 GLN 6 HB3 GLN 6 -13.831 1.501 -7.967 47 HG2 GLN 6 HG2 GLN 6 -14.793 -0.678 -8.401 48 HG3 GLN 6 HG3 GLN 6 -14.665 -0.379 -6.668 49 HE21 GLN 6 HE21 GLN 6 -16.237 -1.900 -6.192 50 HE22 GLN 6 HE22 GLN 6 -17.914 -1.624 -6.504 51 H GLY 7 H GLY 7 -16.134 0.776 -4.886 52 HA2 GLY 7 HA2 GLY 7 -14.291 1.683 -2.873 53 HA3 GLY 7 HA3 GLY 7 -15.443 0.366 -2.718 54 H GLU 8 H GLU 8 -13.117 0.557 -5.306 55 HA GLU 8 HA GLU 8 -12.145 -2.060 -4.758 56 HB2 GLU 8 HB2 GLU 8 -12.328 -0.823 -7.032 57 HB3 GLU 8 HB3 GLU 8 -10.790 -0.096 -6.592 58 HG2 GLU 8 HG2 GLU 8 -10.330 -1.960 -7.984 59 HG3 GLU 8 HG3 GLU 8 -9.861 -2.402 -6.344 60 H TRP 9 H TRP 9 -11.331 1.047 -3.643 61 HA TRP 9 HA TRP 9 -8.637 0.673 -2.915 62 HB2 TRP 9 HB2 TRP 9 -9.568 2.869 -2.760 63 HB3 TRP 9 HB3 TRP 9 -10.865 2.322 -1.712 64 HD1 TRP 9 HD1 TRP 9 -10.424 3.787 0.355 65 HE1 TRP 9 HE1 TRP 9 -8.503 4.017 2.049 66 HE3 TRP 9 HE3 TRP 9 -6.871 0.991 -2.049 67 HZ2 TRP 9 HZ2 TRP 9 -5.840 3.131 2.333 68 HZ3 TRP 9 HZ3 TRP 9 -4.668 0.727 -0.988 69 HH2 TRP 9 HH2 TRP 9 -4.163 1.779 1.156 70 H MET 10 H MET 10 -11.652 0.027 -1.151 71 HA MET 10 HA MET 10 -10.477 -1.141 1.118 72 HB2 MET 10 HB2 MET 10 -13.160 -1.715 -0.150 73 HB3 MET 10 HB3 MET 10 -12.678 -2.224 1.460 74 HG2 MET 10 HG2 MET 10 -12.740 0.658 0.636 75 HG3 MET 10 HG3 MET 10 -14.152 -0.174 1.277 76 HE1 MET 10 HE1 MET 10 -10.304 0.814 3.640 77 HE2 MET 10 HE2 MET 10 -10.719 1.502 2.070 78 HE3 MET 10 HE3 MET 10 -10.278 -0.201 2.198 79 H LYS 11 H LYS 11 -11.513 -2.471 -1.963 80 HA LYS 11 HA LYS 11 -11.027 -5.182 -1.487 81 HB2 LYS 11 HB2 LYS 11 -12.106 -3.802 -3.492 82 HB3 LYS 11 HB3 LYS 11 -10.496 -3.989 -4.169 83 HG2 LYS 11 HG2 LYS 11 -11.666 -6.459 -3.131 84 HG3 LYS 11 HG3 LYS 11 -12.543 -5.739 -4.479 85 HD2 LYS 11 HD2 LYS 11 -11.042 -7.099 -5.575 86 HD3 LYS 11 HD3 LYS 11 -10.175 -5.564 -5.556 87 HE2 LYS 11 HE2 LYS 11 -8.738 -6.264 -3.858 88 HE3 LYS 11 HE3 LYS 11 -9.795 -7.595 -3.389 89 HZ1 LYS 11 HZ1 LYS 11 -9.304 -8.513 -5.693 90 HZ2 LYS 11 HZ2 LYS 11 -8.048 -8.588 -4.559 91 HZ3 LYS 11 HZ3 LYS 11 -8.030 -7.396 -5.763 92 H ASN 12 H ASN 12 -8.947 -2.693 -2.948 93 HA ASN 12 HA ASN 12 -6.636 -4.210 -3.316 94 HB2 ASN 12 HB2 ASN 12 -7.206 -1.308 -2.994 95 HB3 ASN 12 HB3 ASN 12 -5.538 -1.825 -2.786 96 HD21 ASN 12 HD21 ASN 12 -8.174 -1.456 -5.004 97 HD22 ASN 12 HD22 ASN 12 -7.251 -1.706 -6.445 98 H TYR 13 H TYR 13 -7.733 -2.377 -0.509 99 HA TYR 13 HA TYR 13 -5.414 -2.668 1.033 100 HB2 TYR 13 HB2 TYR 13 -7.247 -1.051 1.494 101 HB3 TYR 13 HB3 TYR 13 -8.260 -2.392 2.015 102 HD1 TYR 13 HD2 TYR 13 -4.881 -0.968 2.716 103 HD2 TYR 13 HD1 TYR 13 -8.366 -2.828 4.284 104 HE1 TYR 13 HE2 TYR 13 -3.959 -0.770 4.982 105 HE2 TYR 13 HE1 TYR 13 -7.450 -2.639 6.561 106 HH TYR 13 HH TYR 13 -4.786 -0.694 7.309 107 H GLU 14 H GLU 14 -8.449 -4.553 1.097 108 HA GLU 14 HA GLU 14 -7.583 -6.423 3.009 109 HB2 GLU 14 HB2 GLU 14 -9.595 -6.822 0.786 110 HB3 GLU 14 HB3 GLU 14 -9.406 -7.862 2.191 111 HG2 GLU 14 HG2 GLU 14 -10.311 -4.995 2.167 112 HG3 GLU 14 HG3 GLU 14 -11.288 -6.419 2.518 113 H GLU 15 H GLU 15 -7.277 -6.359 -0.501 114 HA GLU 15 HA GLU 15 -6.212 -8.957 -0.826 115 HB2 GLU 15 HB2 GLU 15 -7.101 -7.463 -2.651 116 HB3 GLU 15 HB3 GLU 15 -5.624 -6.520 -2.516 117 HG2 GLU 15 HG2 GLU 15 -5.389 -7.993 -4.359 118 HG3 GLU 15 HG3 GLU 15 -4.339 -8.577 -3.069 119 H LEU 16 H LEU 16 -4.723 -5.794 -0.280 120 HA LEU 16 HA LEU 16 -2.044 -6.690 -0.426 121 HB2 LEU 16 HB2 LEU 16 -2.662 -4.347 -0.712 122 HB3 LEU 16 HB3 LEU 16 -3.214 -4.270 0.950 123 HG LEU 16 HG LEU 16 -0.881 -4.731 1.697 124 HD11 LEU 16 HD11 LEU 16 -0.060 -5.860 -0.296 125 HD12 LEU 16 HD12 LEU 16 0.934 -4.452 0.075 126 HD13 LEU 16 HD13 LEU 16 -0.246 -4.378 -1.230 127 HD21 LEU 16 HD21 LEU 16 -1.757 -2.461 1.602 128 HD22 LEU 16 HD22 LEU 16 -1.248 -2.327 -0.083 129 HD23 LEU 16 HD23 LEU 16 -0.042 -2.500 1.196 130 H LYS 17 H LYS 17 -4.310 -6.296 2.276 131 HA LYS 17 HA LYS 17 -2.653 -7.008 4.402 132 HB2 LYS 17 HB2 LYS 17 -5.525 -7.833 3.916 133 HB3 LYS 17 HB3 LYS 17 -4.691 -7.939 5.459 134 HG2 LYS 17 HG2 LYS 17 -4.587 -5.596 5.675 135 HG3 LYS 17 HG3 LYS 17 -5.055 -5.351 3.990 136 HD2 LYS 17 HD2 LYS 17 -6.937 -4.907 5.421 137 HD3 LYS 17 HD3 LYS 17 -7.248 -6.357 4.481 138 HE2 LYS 17 HE2 LYS 17 -6.663 -7.745 6.383 139 HE3 LYS 17 HE3 LYS 17 -6.269 -6.312 7.332 140 HZ1 LYS 17 HZ1 LYS 17 -8.531 -5.644 7.327 141 HZ2 LYS 17 HZ2 LYS 17 -8.504 -7.282 7.769 142 HZ3 LYS 17 HZ3 LYS 17 -8.965 -6.832 6.197 143 H SER 18 H SER 18 -4.595 -9.038 2.294 144 HA SER 18 HA SER 18 -3.723 -11.541 3.183 145 HB2 SER 18 HB2 SER 18 -5.687 -11.117 1.691 146 HB3 SER 18 HB3 SER 18 -4.565 -10.819 0.365 147 HG SER 18 HG SER 18 -5.433 -13.003 0.519 148 H PHE 19 H PHE 19 -2.364 -9.401 0.666 149 HA PHE 19 HA PHE 19 -0.332 -11.173 -0.158 150 HB2 PHE 19 HB2 PHE 19 -1.076 -8.423 -0.623 151 HB3 PHE 19 HB3 PHE 19 0.666 -8.568 -0.439 152 HD1 PHE 19 HD2 PHE 19 -2.239 -9.575 -2.428 153 HD2 PHE 19 HD1 PHE 19 1.994 -9.726 -2.061 154 HE1 PHE 19 HE2 PHE 19 -2.073 -10.380 -4.744 155 HE2 PHE 19 HE1 PHE 19 2.171 -10.528 -4.382 156 HZ PHE 19 HZ PHE 19 0.132 -10.853 -5.729 157 H VAL 20 H VAL 20 -0.480 -8.762 2.414 158 HA VAL 20 HA VAL 20 2.236 -9.062 3.186 159 HB VAL 20 HB VAL 20 -0.137 -7.781 4.489 160 HG11 VAL 20 HG11 VAL 20 1.162 -8.778 6.321 161 HG12 VAL 20 HG12 VAL 20 1.321 -7.022 6.309 162 HG13 VAL 20 HG13 VAL 20 2.629 -8.028 5.686 163 HG21 VAL 20 HG21 VAL 20 1.280 -5.789 4.189 164 HG22 VAL 20 HG22 VAL 20 0.975 -6.626 2.666 165 HG23 VAL 20 HG23 VAL 20 2.532 -6.812 3.481 166 H ARG 21 H ARG 21 -0.757 -10.613 4.385 167 HA ARG 21 HA ARG 21 0.576 -11.917 6.516 168 HB2 ARG 21 HB2 ARG 21 -1.364 -13.417 6.631 169 HB3 ARG 21 HB3 ARG 21 -1.835 -11.731 6.554 170 HG2 ARG 21 HG2 ARG 21 -3.353 -12.756 5.162 171 HG3 ARG 21 HG3 ARG 21 -2.137 -12.174 4.028 172 HD2 ARG 21 HD2 ARG 21 -2.767 -14.422 3.439 173 HD3 ARG 21 HD3 ARG 21 -1.109 -14.421 4.037 174 HE ARG 21 HE ARG 21 -3.349 -15.157 5.809 175 HH11 ARG 21 HH11 ARG 21 -0.279 -15.908 4.301 176 HH12 ARG 21 HH12 ARG 21 -0.095 -17.428 5.127 177 HH21 ARG 21 HH21 ARG 21 -3.111 -17.140 6.905 178 HH22 ARG 21 HH22 ARG 21 -1.706 -18.121 6.617 179 H LYS 22 H LYS 22 0.621 -12.434 3.159 180 HA LYS 22 HA LYS 22 1.721 -15.115 3.417 181 HB2 LYS 22 HB2 LYS 22 0.704 -13.426 1.177 182 HB3 LYS 22 HB3 LYS 22 1.824 -14.720 0.823 183 HG2 LYS 22 HG2 LYS 22 0.305 -16.338 1.816 184 HG3 LYS 22 HG3 LYS 22 -0.808 -15.038 2.238 185 HD2 LYS 22 HD2 LYS 22 -1.108 -14.514 -0.128 186 HD3 LYS 22 HD3 LYS 22 0.031 -15.787 -0.560 187 HE2 LYS 22 HE2 LYS 22 -1.449 -17.462 0.406 188 HE3 LYS 22 HE3 LYS 22 -2.576 -16.199 0.895 189 HZ1 LYS 22 HZ1 LYS 22 -3.258 -17.320 -1.153 190 HZ2 LYS 22 HZ2 LYS 22 -1.827 -16.816 -1.913 191 HZ3 LYS 22 HZ3 LYS 22 -2.969 -15.669 -1.408 192 H TYR 23 H TYR 23 2.652 -12.107 1.683 193 HA TYR 23 HA TYR 23 5.443 -13.053 1.834 194 HB2 TYR 23 HB2 TYR 23 4.371 -11.063 -0.162 195 HB3 TYR 23 HB3 TYR 23 5.866 -11.987 -0.244 196 HD1 TYR 23 HD1 TYR 23 5.626 -14.563 -0.448 197 HD2 TYR 23 HD2 TYR 23 2.465 -11.834 -1.245 198 HE1 TYR 23 HE1 TYR 23 4.479 -16.288 -1.776 199 HE2 TYR 23 HE2 TYR 23 1.307 -13.550 -2.569 200 HH TYR 23 HH TYR 23 2.143 -16.815 -2.500 201 H ARG 24 H ARG 24 3.415 -10.791 3.157 202 HA ARG 24 HA ARG 24 3.675 -8.868 4.352 203 HB2 ARG 24 HB2 ARG 24 6.566 -9.724 4.250 204 HB3 ARG 24 HB3 ARG 24 6.054 -8.259 5.069 205 HG2 ARG 24 HG2 ARG 24 6.336 -10.057 6.653 206 HG3 ARG 24 HG3 ARG 24 4.634 -9.602 6.557 207 HD2 ARG 24 HD2 ARG 24 4.038 -11.535 5.470 208 HD3 ARG 24 HD3 ARG 24 5.655 -11.805 4.839 209 HE ARG 24 HE ARG 24 5.213 -12.057 7.725 210 HH11 ARG 24 HH11 ARG 24 5.781 -13.625 4.649 211 HH12 ARG 24 HH12 ARG 24 6.296 -15.116 5.358 212 HH21 ARG 24 HH21 ARG 24 5.889 -14.026 8.665 213 HH22 ARG 24 HH22 ARG 24 6.353 -15.357 7.634 214 H ARG 25 H ARG 25 4.085 -9.049 1.320 215 HA ARG 25 HA ARG 25 4.615 -6.323 0.739 216 HB2 ARG 25 HB2 ARG 25 6.909 -7.277 1.278 217 HB3 ARG 25 HB3 ARG 25 6.714 -8.325 -0.115 218 HG2 ARG 25 HG2 ARG 25 6.547 -6.318 -1.549 219 HG3 ARG 25 HG3 ARG 25 6.882 -5.323 -0.123 220 HD2 ARG 25 HD2 ARG 25 8.967 -6.638 0.215 221 HD3 ARG 25 HD3 ARG 25 8.653 -7.449 -1.315 222 HE ARG 25 HE ARG 25 8.679 -4.948 -2.145 223 HH11 ARG 25 HH11 ARG 25 10.798 -6.581 0.127 224 HH12 ARG 25 HH12 ARG 25 12.172 -5.572 -0.230 225 HH21 ARG 25 HH21 ARG 25 10.509 -3.617 -2.622 226 HH22 ARG 25 HH22 ARG 25 12.002 -3.896 -1.781 227 H PHE 26 H PHE 26 4.684 -6.053 -1.696 228 HA PHE 26 HA PHE 26 3.471 -8.351 -3.054 229 HB2 PHE 26 HB2 PHE 26 2.231 -6.754 -4.503 230 HB3 PHE 26 HB3 PHE 26 1.743 -6.689 -2.817 231 HD1 PHE 26 HD1 PHE 26 2.918 -4.803 -1.394 232 HD2 PHE 26 HD2 PHE 26 2.632 -4.808 -5.642 233 HE1 PHE 26 HE1 PHE 26 3.214 -2.358 -1.419 234 HE2 PHE 26 HE2 PHE 26 2.934 -2.370 -5.672 235 HZ PHE 26 HZ PHE 26 3.221 -1.140 -3.561 236 HA PRO 27 HA PRO 27 7.398 -7.462 -5.205 237 HB2 PRO 27 HB2 PRO 27 8.024 -10.055 -5.670 238 HB3 PRO 27 HB3 PRO 27 8.386 -9.250 -4.141 239 HG2 PRO 27 HG2 PRO 27 6.165 -11.124 -4.821 240 HG3 PRO 27 HG3 PRO 27 7.122 -11.007 -3.334 241 HD2 PRO 27 HD2 PRO 27 4.592 -9.979 -3.617 242 HD3 PRO 27 HD3 PRO 27 5.793 -9.357 -2.468 243 H LYS 28 H LYS 28 4.761 -9.633 -6.019 244 HA LYS 28 HA LYS 28 5.034 -8.840 -8.835 245 HB2 LYS 28 HB2 LYS 28 4.294 -11.581 -7.785 246 HB3 LYS 28 HB3 LYS 28 4.221 -11.100 -9.473 247 HG2 LYS 28 HG2 LYS 28 6.608 -10.807 -9.544 248 HG3 LYS 28 HG3 LYS 28 6.732 -11.121 -7.812 249 HD2 LYS 28 HD2 LYS 28 5.860 -13.390 -8.182 250 HD3 LYS 28 HD3 LYS 28 5.790 -13.068 -9.914 251 HE2 LYS 28 HE2 LYS 28 8.188 -12.782 -9.998 252 HE3 LYS 28 HE3 LYS 28 8.301 -12.962 -8.249 253 HZ1 LYS 28 HZ1 LYS 28 7.358 -15.067 -10.124 254 HZ2 LYS 28 HZ2 LYS 28 7.543 -15.231 -8.445 255 HZ3 LYS 28 HZ3 LYS 28 8.904 -14.997 -9.429 256 H SER 29 H SER 29 3.386 -7.462 -9.075 257 HA SER 29 HA SER 29 0.971 -7.655 -7.568 258 HB2 SER 29 HB2 SER 29 1.569 -5.961 -10.004 259 HB3 SER 29 HB3 SER 29 0.273 -5.698 -8.835 260 HG SER 29 HG SER 29 1.675 -4.560 -7.772 261 H THR 30 H THR 30 -0.169 -9.496 -7.983 262 HA THR 30 HA THR 30 -0.533 -10.701 -10.475 263 HB THR 30 HB THR 30 -2.675 -10.958 -8.423 264 HG1 THR 30 HG1 THR 30 -1.306 -12.053 -7.016 265 HG21 THR 30 HG21 THR 30 -2.642 -12.415 -10.370 266 HG22 THR 30 HG22 THR 30 -2.321 -13.346 -8.908 267 HG23 THR 30 HG23 THR 30 -0.996 -12.915 -9.986 268 H GLU 31 H GLU 31 -2.420 -8.256 -8.766 269 HA GLU 31 HA GLU 31 -4.394 -8.238 -10.926 270 HB2 GLU 31 HB2 GLU 31 -4.435 -6.738 -8.304 271 HB3 GLU 31 HB3 GLU 31 -5.746 -6.832 -9.470 272 HG2 GLU 31 HG2 GLU 31 -5.713 -9.338 -9.073 273 HG3 GLU 31 HG3 GLU 31 -4.683 -8.989 -7.685 274 H GLY 32 H GLY 32 -4.952 -6.317 -12.010 275 HA2 GLY 32 HA2 GLY 32 -2.855 -4.477 -12.531 276 HA3 GLY 32 HA3 GLY 32 -4.536 -4.289 -13.022 277 H ASN 33 H ASN 33 -5.287 -4.680 -10.132 278 HA ASN 33 HA ASN 33 -5.482 -2.000 -9.313 279 HB2 ASN 33 HB2 ASN 33 -5.702 -4.526 -7.657 280 HB3 ASN 33 HB3 ASN 33 -6.272 -2.935 -7.169 281 HD21 ASN 33 HD21 ASN 33 -7.659 -5.504 -7.568 282 HD22 ASN 33 HD22 ASN 33 -8.954 -5.145 -8.665 283 H LEU 34 H LEU 34 -3.518 -4.646 -7.960 284 HA LEU 34 HA LEU 34 -1.977 -2.915 -6.305 285 HB2 LEU 34 HB2 LEU 34 -1.518 -5.749 -7.206 286 HB3 LEU 34 HB3 LEU 34 -0.504 -4.917 -6.051 287 HG LEU 34 HG LEU 34 -3.455 -5.419 -5.631 288 HD11 LEU 34 HD11 LEU 34 -1.081 -6.940 -4.565 289 HD12 LEU 34 HD12 LEU 34 -2.264 -7.537 -5.727 290 HD13 LEU 34 HD13 LEU 34 -2.759 -7.174 -4.073 291 HD21 LEU 34 HD21 LEU 34 -1.266 -4.516 -3.762 292 HD22 LEU 34 HD22 LEU 34 -2.926 -4.889 -3.292 293 HD23 LEU 34 HD23 LEU 34 -2.597 -3.530 -4.368 294 H GLY 35 H GLY 35 -1.681 -4.143 -9.548 295 HA2 GLY 35 HA2 GLY 35 0.985 -3.418 -10.064 296 HA3 GLY 35 HA3 GLY 35 -0.300 -3.486 -11.267 297 H GLY 36 H GLY 36 -2.032 -1.602 -10.288 298 HA2 GLY 36 HA2 GLY 36 -0.742 0.836 -11.091 299 HA3 GLY 36 HA3 GLY 36 -2.415 0.662 -10.578 300 H TRP 37 H TRP 37 -1.688 -0.621 -8.053 301 HA TRP 37 HA TRP 37 -1.398 1.522 -6.300 302 HB2 TRP 37 HB2 TRP 37 -1.708 -1.236 -6.062 303 HB3 TRP 37 HB3 TRP 37 -0.153 -0.923 -5.298 304 HD1 TRP 37 HD1 TRP 37 -3.805 0.318 -5.078 305 HE1 TRP 37 HE1 TRP 37 -4.269 1.003 -2.654 306 HE3 TRP 37 HE3 TRP 37 0.869 -0.395 -3.099 307 HZ2 TRP 37 HZ2 TRP 37 -2.861 1.189 -0.208 308 HZ3 TRP 37 HZ3 TRP 37 1.211 0.041 -0.710 309 HH2 TRP 37 HH2 TRP 37 -0.616 0.821 0.706 310 H CYS 38 H CYS 38 1.030 -0.779 -7.477 311 HA CYS 38 HA CYS 38 3.241 0.422 -6.208 312 HB2 CYS 38 HB2 CYS 38 3.217 -1.895 -7.090 313 HB3 CYS 38 HB3 CYS 38 3.217 -1.251 -8.727 314 HG CYS 38 HG CYS 38 5.757 -2.043 -6.936 315 H HIS 39 H HIS 39 1.782 0.930 -9.393 316 HA HIS 39 HA HIS 39 3.929 2.522 -10.404 317 HB2 HIS 39 HB2 HIS 39 1.083 2.168 -11.344 318 HB3 HIS 39 HB3 HIS 39 2.275 3.128 -12.206 319 HD1 HIS 39 HD1 HIS 39 0.827 0.516 -13.280 320 HD2 HIS 39 HD2 HIS 39 4.695 0.748 -11.762 321 HE1 HIS 39 HE1 HIS 39 2.065 -1.446 -14.260 322 HE2 HIS 39 HE2 HIS 39 4.421 -1.254 -13.381 323 H THR 40 H THR 40 0.642 3.365 -9.301 324 HA THR 40 HA THR 40 0.910 6.126 -9.792 325 HB THR 40 HB THR 40 -0.939 4.882 -7.753 326 HG1 THR 40 HG1 THR 40 -1.569 3.750 -9.455 327 HG21 THR 40 HG21 THR 40 -2.428 6.722 -8.400 328 HG22 THR 40 HG22 THR 40 -1.208 7.315 -9.529 329 HG23 THR 40 HG23 THR 40 -0.888 7.329 -7.793 330 H GLN 41 H GLN 41 1.464 4.163 -6.912 331 HA GLN 41 HA GLN 41 1.969 6.499 -5.295 332 HB2 GLN 41 HB2 GLN 41 1.819 3.565 -4.783 333 HB3 GLN 41 HB3 GLN 41 2.614 4.606 -3.607 334 HG2 GLN 41 HG2 GLN 41 0.690 5.620 -2.986 335 HG3 GLN 41 HG3 GLN 41 -0.033 5.478 -4.585 336 HE21 GLN 41 HE21 GLN 41 -1.214 3.688 -5.092 337 HE22 GLN 41 HE22 GLN 41 -1.654 2.491 -3.931 338 H ARG 42 H ARG 42 3.782 4.560 -7.370 339 HA ARG 42 HA ARG 42 6.352 4.655 -6.216 340 HB2 ARG 42 HB2 ARG 42 5.578 3.406 -8.313 341 HB3 ARG 42 HB3 ARG 42 5.744 4.936 -9.159 342 HG2 ARG 42 HG2 ARG 42 7.718 3.748 -9.585 343 HG3 ARG 42 HG3 ARG 42 8.147 4.959 -8.373 344 HD2 ARG 42 HD2 ARG 42 8.174 3.361 -6.644 345 HD3 ARG 42 HD3 ARG 42 7.344 2.163 -7.636 346 HE ARG 42 HE ARG 42 10.121 3.058 -8.106 347 HH11 ARG 42 HH11 ARG 42 7.657 0.557 -8.088 348 HH12 ARG 42 HH12 ARG 42 8.739 -0.681 -8.644 349 HH21 ARG 42 HH21 ARG 42 11.525 1.418 -8.855 350 HH22 ARG 42 HH22 ARG 42 10.918 -0.195 -9.089 351 H LYS 43 H LYS 43 4.464 6.886 -8.084 352 HA LYS 43 HA LYS 43 6.461 8.889 -8.386 353 HB2 LYS 43 HB2 LYS 43 4.737 8.855 -9.989 354 HB3 LYS 43 HB3 LYS 43 3.479 8.774 -8.766 355 HG2 LYS 43 HG2 LYS 43 3.939 11.077 -8.134 356 HG3 LYS 43 HG3 LYS 43 5.221 11.156 -9.349 357 HD2 LYS 43 HD2 LYS 43 3.664 10.880 -11.122 358 HD3 LYS 43 HD3 LYS 43 2.361 10.477 -9.999 359 HE2 LYS 43 HE2 LYS 43 2.248 12.676 -9.181 360 HE3 LYS 43 HE3 LYS 43 3.784 13.107 -9.922 361 HZ1 LYS 43 HZ1 LYS 43 1.272 12.469 -11.379 362 HZ2 LYS 43 HZ2 LYS 43 2.745 12.900 -12.101 363 HZ3 LYS 43 HZ3 LYS 43 1.909 14.021 -11.145 364 H MET 44 H MET 44 3.549 8.691 -6.356 365 HA MET 44 HA MET 44 3.861 11.066 -4.943 366 HB2 MET 44 HB2 MET 44 2.673 8.546 -3.771 367 HB3 MET 44 HB3 MET 44 2.254 10.213 -3.398 368 HG2 MET 44 HG2 MET 44 1.694 8.714 -5.937 369 HG3 MET 44 HG3 MET 44 0.527 9.287 -4.744 370 HE1 MET 44 HE1 MET 44 0.918 9.702 -8.027 371 HE2 MET 44 HE2 MET 44 0.238 11.319 -8.217 372 HE3 MET 44 HE3 MET 44 -0.579 10.131 -7.200 373 H ARG 45 H ARG 45 5.212 7.846 -4.224 374 HA ARG 45 HA ARG 45 6.165 8.527 -1.648 375 HB2 ARG 45 HB2 ARG 45 7.616 6.568 -1.811 376 HB3 ARG 45 HB3 ARG 45 5.989 6.199 -2.345 377 HG2 ARG 45 HG2 ARG 45 6.633 6.112 -4.604 378 HG3 ARG 45 HG3 ARG 45 8.191 6.866 -4.264 379 HD2 ARG 45 HD2 ARG 45 7.467 4.255 -2.998 380 HD3 ARG 45 HD3 ARG 45 8.069 4.304 -4.654 381 HE ARG 45 HE ARG 45 9.972 5.676 -3.507 382 HH11 ARG 45 HH11 ARG 45 8.364 2.845 -2.195 383 HH12 ARG 45 HH12 ARG 45 9.773 2.295 -1.340 384 HH21 ARG 45 HH21 ARG 45 11.803 4.952 -2.411 385 HH22 ARG 45 HH22 ARG 45 11.731 3.492 -1.468 386 H LYS 46 H LYS 46 7.492 8.950 -4.844 387 HA LYS 46 HA LYS 46 10.099 9.774 -3.983 388 HB2 LYS 46 HB2 LYS 46 9.553 8.825 -6.253 389 HB3 LYS 46 HB3 LYS 46 8.713 10.323 -6.620 390 HG2 LYS 46 HG2 LYS 46 11.585 10.366 -5.794 391 HG3 LYS 46 HG3 LYS 46 11.134 9.967 -7.449 392 HD2 LYS 46 HD2 LYS 46 10.319 12.491 -6.010 393 HD3 LYS 46 HD3 LYS 46 11.690 12.366 -7.112 394 HE2 LYS 46 HE2 LYS 46 10.124 11.660 -8.902 395 HE3 LYS 46 HE3 LYS 46 8.783 11.918 -7.786 396 HZ1 LYS 46 HZ1 LYS 46 9.454 14.258 -7.614 397 HZ2 LYS 46 HZ2 LYS 46 9.068 13.830 -9.209 398 HZ3 LYS 46 HZ3 LYS 46 10.690 13.988 -8.745 399 H GLN 47 H GLN 47 7.133 11.364 -4.976 400 HA GLN 47 HA GLN 47 8.149 14.019 -4.836 401 HB2 GLN 47 HB2 GLN 47 5.355 12.893 -4.959 402 HB3 GLN 47 HB3 GLN 47 5.691 14.615 -4.980 403 HG2 GLN 47 HG2 GLN 47 7.066 14.269 -7.013 404 HG3 GLN 47 HG3 GLN 47 6.572 12.577 -7.006 405 HE21 GLN 47 HE21 GLN 47 3.882 13.238 -6.058 406 HE22 GLN 47 HE22 GLN 47 3.041 13.892 -7.421 407 H GLY 48 H GLY 48 6.711 11.853 -2.531 408 HA2 GLY 48 HA2 GLY 48 6.510 12.159 -0.218 409 HA3 GLY 48 HA3 GLY 48 6.899 13.866 -0.434 410 H LYS 49 H LYS 49 4.523 12.175 -2.319 411 HA LYS 49 HA LYS 49 2.453 13.986 -1.282 412 HB2 LYS 49 HB2 LYS 49 2.551 12.369 -3.836 413 HB3 LYS 49 HB3 LYS 49 1.227 13.417 -3.354 414 HG2 LYS 49 HG2 LYS 49 4.016 14.456 -3.687 415 HG3 LYS 49 HG3 LYS 49 2.907 14.309 -5.048 416 HD2 LYS 49 HD2 LYS 49 2.732 16.526 -4.277 417 HD3 LYS 49 HD3 LYS 49 1.278 15.702 -3.724 418 HE2 LYS 49 HE2 LYS 49 2.307 15.416 -1.509 419 HE3 LYS 49 HE3 LYS 49 3.729 16.292 -2.070 420 HZ1 LYS 49 HZ1 LYS 49 2.350 18.241 -2.425 421 HZ2 LYS 49 HZ2 LYS 49 2.235 17.717 -0.818 422 HZ3 LYS 49 HZ3 LYS 49 0.974 17.392 -1.907 423 H LEU 50 H LEU 50 3.542 10.870 -1.030 424 HA LEU 50 HA LEU 50 1.164 9.362 -1.008 425 HB2 LEU 50 HB2 LEU 50 3.957 9.038 -0.329 426 HB3 LEU 50 HB3 LEU 50 2.949 8.248 0.861 427 HG LEU 50 HG LEU 50 2.965 7.714 -2.109 428 HD11 LEU 50 HD11 LEU 50 3.875 6.057 0.241 429 HD12 LEU 50 HD12 LEU 50 4.919 6.854 -0.938 430 HD13 LEU 50 HD13 LEU 50 3.859 5.539 -1.445 431 HD21 LEU 50 HD21 LEU 50 1.372 6.394 0.084 432 HD22 LEU 50 HD22 LEU 50 1.432 5.883 -1.603 433 HD23 LEU 50 HD23 LEU 50 0.724 7.442 -1.175 434 HA PRO 51 HA PRO 51 -0.538 10.901 2.804 435 HB2 PRO 51 HB2 PRO 51 -2.444 9.023 3.217 436 HB3 PRO 51 HB3 PRO 51 -2.592 10.288 1.992 437 HG2 PRO 51 HG2 PRO 51 -1.815 7.424 1.675 438 HG3 PRO 51 HG3 PRO 51 -2.834 8.434 0.634 439 HD2 PRO 51 HD2 PRO 51 -0.213 7.863 0.102 440 HD3 PRO 51 HD3 PRO 51 -1.036 9.328 -0.458 441 H ASN 52 H ASN 52 -0.341 10.586 4.937 442 HA ASN 52 HA ASN 52 1.575 8.720 5.863 443 HB2 ASN 52 HB2 ASN 52 1.404 10.844 6.956 444 HB3 ASN 52 HB3 ASN 52 -0.305 10.605 7.292 445 HD21 ASN 52 HD21 ASN 52 -0.927 9.437 9.033 446 HD22 ASN 52 HD22 ASN 52 0.176 8.839 10.226 447 H ASP 53 H ASP 53 -1.910 8.768 5.782 448 HA ASP 53 HA ASP 53 -2.465 6.664 7.536 449 HB2 ASP 53 HB2 ASP 53 -3.891 7.622 5.059 450 HB3 ASP 53 HB3 ASP 53 -4.515 6.318 6.065 451 H ARG 54 H ARG 54 -1.905 6.582 4.025 452 HA ARG 54 HA ARG 54 -2.174 3.833 3.648 453 HB2 ARG 54 HB2 ARG 54 -2.130 5.413 1.799 454 HB3 ARG 54 HB3 ARG 54 -0.476 5.856 2.171 455 HG2 ARG 54 HG2 ARG 54 -1.166 3.043 1.412 456 HG3 ARG 54 HG3 ARG 54 -0.961 4.285 0.181 457 HD2 ARG 54 HD2 ARG 54 1.300 4.738 1.369 458 HD3 ARG 54 HD3 ARG 54 1.059 3.143 2.076 459 HE ARG 54 HE ARG 54 0.691 2.902 -0.671 460 HH11 ARG 54 HH11 ARG 54 3.273 3.721 1.555 461 HH12 ARG 54 HH12 ARG 54 4.534 3.139 0.514 462 HH21 ARG 54 HH21 ARG 54 2.348 2.112 -2.030 463 HH22 ARG 54 HH22 ARG 54 4.002 2.207 -1.513 464 H ARG 55 H ARG 55 0.594 5.775 4.612 465 HA ARG 55 HA ARG 55 2.547 3.736 4.599 466 HB2 ARG 55 HB2 ARG 55 3.107 6.123 4.739 467 HB3 ARG 55 HB3 ARG 55 2.350 6.213 6.322 468 HG2 ARG 55 HG2 ARG 55 4.068 4.330 6.914 469 HG3 ARG 55 HG3 ARG 55 4.938 4.982 5.524 470 HD2 ARG 55 HD2 ARG 55 4.644 7.256 6.600 471 HD3 ARG 55 HD3 ARG 55 4.132 6.398 8.046 472 HE ARG 55 HE ARG 55 6.760 5.876 6.831 473 HH11 ARG 55 HH11 ARG 55 4.792 6.772 9.596 474 HH12 ARG 55 HH12 ARG 55 6.142 6.798 10.698 475 HH21 ARG 55 HH21 ARG 55 8.509 5.889 8.260 476 HH22 ARG 55 HH22 ARG 55 8.263 6.292 9.938 477 H LEU 56 H LEU 56 0.479 5.033 7.162 478 HA LEU 56 HA LEU 56 1.499 3.417 9.227 479 HB2 LEU 56 HB2 LEU 56 0.065 5.593 9.282 480 HB3 LEU 56 HB3 LEU 56 -1.303 4.504 9.206 481 HG LEU 56 HG LEU 56 0.796 4.325 11.363 482 HD11 LEU 56 HD11 LEU 56 -0.216 6.538 11.438 483 HD12 LEU 56 HD12 LEU 56 -0.755 5.551 12.796 484 HD13 LEU 56 HD13 LEU 56 -1.823 5.817 11.419 485 HD21 LEU 56 HD21 LEU 56 -2.037 3.299 11.206 486 HD22 LEU 56 HD22 LEU 56 -0.932 3.103 12.567 487 HD23 LEU 56 HD23 LEU 56 -0.577 2.325 11.025 488 H LEU 57 H LEU 57 -1.237 3.051 7.019 489 HA LEU 57 HA LEU 57 -2.458 0.802 8.092 490 HB2 LEU 57 HB2 LEU 57 -2.114 1.517 5.181 491 HB3 LEU 57 HB3 LEU 57 -3.241 0.327 5.796 492 HG LEU 57 HG LEU 57 -3.314 3.292 6.351 493 HD11 LEU 57 HD11 LEU 57 -5.376 3.243 5.047 494 HD12 LEU 57 HD12 LEU 57 -5.135 1.527 4.722 495 HD13 LEU 57 HD13 LEU 57 -3.996 2.714 4.085 496 HD21 LEU 57 HD21 LEU 57 -4.085 1.977 8.267 497 HD22 LEU 57 HD22 LEU 57 -5.217 1.124 7.219 498 HD23 LEU 57 HD23 LEU 57 -5.405 2.856 7.495 499 H LEU 58 H LEU 58 0.334 1.029 5.953 500 HA LEU 58 HA LEU 58 0.650 -1.714 5.439 501 HB2 LEU 58 HB2 LEU 58 2.719 0.478 5.572 502 HB3 LEU 58 HB3 LEU 58 3.002 -1.122 4.910 503 HG LEU 58 HG LEU 58 1.081 0.934 3.821 504 HD11 LEU 58 HD11 LEU 58 2.595 0.959 1.896 505 HD12 LEU 58 HD12 LEU 58 3.686 -0.133 2.751 506 HD13 LEU 58 HD13 LEU 58 3.397 1.492 3.373 507 HD21 LEU 58 HD21 LEU 58 1.769 -1.806 2.777 508 HD22 LEU 58 HD22 LEU 58 0.709 -0.626 2.000 509 HD23 LEU 58 HD23 LEU 58 0.248 -1.351 3.542 510 H ASP 59 H ASP 59 2.013 0.353 7.976 511 HA ASP 59 HA ASP 59 3.534 -1.681 9.225 512 HB2 ASP 59 HB2 ASP 59 4.051 0.616 9.719 513 HB3 ASP 59 HB3 ASP 59 2.411 0.920 10.288 514 H LYS 60 H LYS 60 0.190 -0.701 9.466 515 HA LYS 60 HA LYS 60 -0.385 -1.923 11.937 516 HB2 LYS 60 HB2 LYS 60 -1.604 -0.049 10.869 517 HB3 LYS 60 HB3 LYS 60 -2.192 -1.163 9.647 518 HG2 LYS 60 HG2 LYS 60 -2.885 -2.334 12.063 519 HG3 LYS 60 HG3 LYS 60 -3.213 -0.607 12.267 520 HD2 LYS 60 HD2 LYS 60 -5.164 -1.397 11.315 521 HD3 LYS 60 HD3 LYS 60 -4.284 -0.771 9.931 522 HE2 LYS 60 HE2 LYS 60 -5.051 -2.845 9.211 523 HE3 LYS 60 HE3 LYS 60 -3.385 -3.143 9.677 524 HZ1 LYS 60 HZ1 LYS 60 -5.805 -3.785 11.263 525 HZ2 LYS 60 HZ2 LYS 60 -4.228 -3.911 11.857 526 HZ3 LYS 60 HZ3 LYS 60 -4.722 -4.886 10.561 527 H ILE 61 H ILE 61 -0.613 -2.989 8.567 528 HA ILE 61 HA ILE 61 -1.742 -5.537 9.348 529 HB ILE 61 HB ILE 61 -1.469 -6.141 6.930 530 HG12 ILE 61 HG12 ILE 61 -0.638 -3.242 6.683 531 HG13 ILE 61 HG13 ILE 61 0.393 -4.637 6.388 532 HG21 ILE 61 HG21 ILE 61 -3.564 -5.295 7.812 533 HG22 ILE 61 HG22 ILE 61 -3.297 -4.709 6.172 534 HG23 ILE 61 HG23 ILE 61 -3.027 -3.635 7.545 535 HD11 ILE 61 HD11 ILE 61 -0.420 -3.629 4.315 536 HD12 ILE 61 HD12 ILE 61 -2.081 -3.941 4.822 537 HD13 ILE 61 HD13 ILE 61 -0.988 -5.288 4.508 538 H GLY 62 H GLY 62 1.417 -4.229 8.673 539 HA2 GLY 62 HA2 GLY 62 3.291 -5.381 9.714 540 HA3 GLY 62 HA3 GLY 62 2.523 -6.901 9.274 541 H PHE 63 H PHE 63 2.799 -4.133 7.148 542 HA PHE 63 HA PHE 63 4.037 -5.668 5.084 543 HB2 PHE 63 HB2 PHE 63 2.473 -3.814 4.619 544 HB3 PHE 63 HB3 PHE 63 3.607 -2.676 5.330 545 HD1 PHE 63 HD2 PHE 63 2.995 -4.911 2.472 546 HD2 PHE 63 HD1 PHE 63 5.461 -1.850 4.101 547 HE1 PHE 63 HE2 PHE 63 4.031 -4.578 0.266 548 HE2 PHE 63 HE1 PHE 63 6.501 -1.512 1.899 549 HZ PHE 63 HZ PHE 63 5.787 -2.876 -0.021 550 H VAL 64 H VAL 64 6.125 -5.794 4.493 551 HA VAL 64 HA VAL 64 8.058 -4.672 6.352 552 HB VAL 64 HB VAL 64 8.141 -7.088 5.847 553 HG11 VAL 64 HG11 VAL 64 9.028 -7.851 3.680 554 HG12 VAL 64 HG12 VAL 64 8.883 -6.204 3.064 555 HG13 VAL 64 HG13 VAL 64 7.440 -7.097 3.541 556 HG21 VAL 64 HG21 VAL 64 10.570 -7.205 5.444 557 HG22 VAL 64 HG22 VAL 64 10.132 -5.975 6.627 558 HG23 VAL 64 HG23 VAL 64 10.553 -5.504 4.982 559 H TRP 65 H TRP 65 9.316 -3.038 5.888 560 HA TRP 65 HA TRP 65 9.101 -1.788 3.253 561 HB2 TRP 65 HB2 TRP 65 10.286 -0.814 5.864 562 HB3 TRP 65 HB3 TRP 65 10.238 0.133 4.382 563 HD1 TRP 65 HD1 TRP 65 7.863 -1.362 7.028 564 HE1 TRP 65 HE1 TRP 65 5.680 -0.005 7.010 565 HE3 TRP 65 HE3 TRP 65 8.829 1.678 3.029 566 HZ2 TRP 65 HZ2 TRP 65 4.523 2.089 5.507 567 HZ3 TRP 65 HZ3 TRP 65 7.132 3.334 2.370 568 HH2 TRP 65 HH2 TRP 65 5.023 3.535 3.582 569 H SER 66 H SER 66 10.603 -4.197 3.543 570 HA SER 66 HA SER 66 12.532 -5.149 2.829 571 HB2 SER 66 HB2 SER 66 13.547 -2.337 2.344 572 HB3 SER 66 HB3 SER 66 14.293 -3.826 1.764 573 HG SER 66 HG SER 66 11.610 -3.450 1.146 574 H LEU 67 H LEU 67 13.113 -2.264 4.829 575 HA LEU 67 HA LEU 67 14.640 -4.003 6.645 576 HB2 LEU 67 HB2 LEU 67 16.164 -2.238 7.180 577 HB3 LEU 67 HB3 LEU 67 16.156 -2.437 5.440 578 HG LEU 67 HG LEU 67 14.508 -0.304 6.782 579 HD11 LEU 67 HD11 LEU 67 16.811 -0.001 7.508 580 HD12 LEU 67 HD12 LEU 67 16.341 1.254 6.362 581 HD13 LEU 67 HD13 LEU 67 17.362 -0.086 5.835 582 HD21 LEU 67 HD21 LEU 67 14.690 0.784 4.603 583 HD22 LEU 67 HD22 LEU 67 13.982 -0.824 4.448 584 HD23 LEU 67 HD23 LEU 67 15.668 -0.555 4.005 585 H GLU 68 H GLU 68 14.574 -3.342 8.875 586 HA GLU 68 HA GLU 68 12.134 -1.847 9.552 587 HB2 GLU 68 HB2 GLU 68 12.083 -4.117 10.391 588 HB3 GLU 68 HB3 GLU 68 13.693 -3.951 11.075 589 HG2 GLU 68 HG2 GLU 68 12.406 -1.950 12.353 590 HG3 GLU 68 HG3 GLU 68 11.090 -3.104 12.134 591 H HIS 69 H HIS 69 14.866 -2.612 11.604 592 HA HIS 69 HA HIS 69 16.008 0.037 11.512 593 HB2 HIS 69 HB2 HIS 69 14.689 -1.003 14.044 594 HB3 HIS 69 HB3 HIS 69 15.806 0.352 13.995 595 HD1 HIS 69 HD1 HIS 69 14.887 2.387 12.310 596 HD2 HIS 69 HD2 HIS 69 12.109 -0.252 13.931 597 HE1 HIS 69 HE1 HIS 69 12.669 3.566 12.174 598 HE2 HIS 69 HE2 HIS 69 11.053 2.040 13.364 599 H HIS 70 H HIS 70 17.667 -0.011 13.583 600 HA HIS 70 HA HIS 70 19.010 -2.619 13.486 601 HB2 HIS 70 HB2 HIS 70 19.980 0.023 14.625 602 HB3 HIS 70 HB3 HIS 70 20.930 -1.457 14.517 603 HD1 HIS 70 HD1 HIS 70 21.873 -2.103 12.213 604 HD2 HIS 70 HD2 HIS 70 19.646 1.414 12.210 605 HE1 HIS 70 HE1 HIS 70 22.297 -1.023 9.974 606 HE2 HIS 70 HE2 HIS 70 21.002 1.144 10.022 607 H HIS 71 H HIS 71 16.954 -3.207 14.696 608 HA HIS 71 HA HIS 71 16.753 -2.156 17.405 609 HB2 HIS 71 HB2 HIS 71 14.762 -2.263 15.918 610 HB3 HIS 71 HB3 HIS 71 14.902 -4.014 15.894 611 HD1 HIS 71 HD1 HIS 71 13.532 -5.203 17.576 612 HD2 HIS 71 HD2 HIS 71 14.298 -1.264 18.682 613 HE1 HIS 71 HE1 HIS 71 12.198 -4.813 19.670 614 HE2 HIS 71 HE2 HIS 71 12.517 -2.371 20.199 615 H HIS 72 H HIS 72 16.720 -5.383 15.852 616 HA HIS 72 HA HIS 72 17.860 -6.446 18.343 617 HB2 HIS 72 HB2 HIS 72 15.438 -6.812 18.418 618 HB3 HIS 72 HB3 HIS 72 15.501 -7.616 16.855 619 HD1 HIS 72 HD1 HIS 72 15.806 -10.077 16.890 620 HD2 HIS 72 HD2 HIS 72 16.878 -8.316 20.502 621 HE1 HIS 72 HE1 HIS 72 16.287 -11.985 18.461 622 HE2 HIS 72 HE2 HIS 72 16.774 -10.895 20.680 623 H HIS 73 H HIS 73 19.730 -6.207 16.815 624 HA HIS 73 HA HIS 73 20.828 -8.670 16.501 625 HB2 HIS 73 HB2 HIS 73 19.153 -8.852 14.548 626 HB3 HIS 73 HB3 HIS 73 20.200 -7.707 13.713 627 HD1 HIS 73 HD1 HIS 73 20.261 -11.187 15.193 628 HD2 HIS 73 HD2 HIS 73 22.451 -8.804 12.578 629 HE1 HIS 73 HE1 HIS 73 21.974 -12.706 14.164 630 HE2 HIS 73 HE2 HIS 73 23.148 -11.297 12.443 631 H HIS 74 H HIS 74 21.063 -6.294 13.906 632 HA HIS 74 HA HIS 74 23.112 -4.706 14.971 633 HB2 HIS 74 HB2 HIS 74 24.011 -7.278 14.122 634 HB3 HIS 74 HB3 HIS 74 24.602 -6.090 12.965 635 HD1 HIS 74 HD1 HIS 74 24.460 -6.408 16.757 636 HD2 HIS 74 HD2 HIS 74 26.962 -5.036 13.737 637 HE1 HIS 74 HE1 HIS 74 26.559 -5.643 17.911 638 HE2 HIS 74 HE2 HIS 74 28.118 -4.978 16.052 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -17.473 -6.094 -2.684 2 H2 MET 1 H2 MET 1 -17.576 -7.117 -1.336 3 H3 MET 1 H3 MET 1 -16.493 -5.808 -1.331 4 HA MET 1 HA MET 1 -19.448 -5.616 -1.416 5 HB2 MET 1 HB2 MET 1 -18.648 -6.326 0.775 6 HB3 MET 1 HB3 MET 1 -17.458 -5.032 0.787 7 HG2 MET 1 HG2 MET 1 -19.274 -3.381 0.793 8 HG3 MET 1 HG3 MET 1 -20.450 -4.692 0.841 9 HE1 MET 1 HE1 MET 1 -19.102 -6.791 2.762 10 HE2 MET 1 HE2 MET 1 -20.792 -6.311 2.908 11 HE3 MET 1 HE3 MET 1 -19.750 -6.311 4.331 12 H ASN 2 H ASN 2 -20.228 -3.727 -2.062 13 HA ASN 2 HA ASN 2 -20.436 -1.555 -2.627 14 HB2 ASN 2 HB2 ASN 2 -19.458 -1.127 -0.386 15 HB3 ASN 2 HB3 ASN 2 -17.857 -1.099 -1.118 16 HD21 ASN 2 HD21 ASN 2 -20.773 0.196 -2.575 17 HD22 ASN 2 HD22 ASN 2 -20.291 1.853 -2.496 18 H GLN 3 H GLN 3 -16.885 -1.784 -2.668 19 HA GLN 3 HA GLN 3 -15.351 -1.265 -4.252 20 HB2 GLN 3 HB2 GLN 3 -17.458 -2.548 -5.979 21 HB3 GLN 3 HB3 GLN 3 -15.917 -2.004 -6.627 22 HG2 GLN 3 HG2 GLN 3 -14.849 -3.483 -4.842 23 HG3 GLN 3 HG3 GLN 3 -16.454 -4.193 -4.656 24 HE21 GLN 3 HE21 GLN 3 -17.320 -5.407 -6.328 25 HE22 GLN 3 HE22 GLN 3 -16.365 -5.985 -7.653 26 H ASN 4 H ASN 4 -17.129 0.830 -3.481 27 HA ASN 4 HA ASN 4 -17.982 2.406 -5.626 28 HB2 ASN 4 HB2 ASN 4 -18.527 2.712 -3.200 29 HB3 ASN 4 HB3 ASN 4 -16.894 3.310 -2.951 30 HD21 ASN 4 HD21 ASN 4 -19.685 4.436 -2.744 31 HD22 ASN 4 HD22 ASN 4 -19.586 5.943 -3.594 32 H LEU 5 H LEU 5 -16.952 4.049 -6.775 33 HA LEU 5 HA LEU 5 -14.302 3.795 -7.530 34 HB2 LEU 5 HB2 LEU 5 -16.051 6.264 -7.538 35 HB3 LEU 5 HB3 LEU 5 -14.508 6.154 -8.355 36 HG LEU 5 HG LEU 5 -15.482 4.281 -9.740 37 HD11 LEU 5 HD11 LEU 5 -17.335 3.640 -8.322 38 HD12 LEU 5 HD12 LEU 5 -17.929 4.164 -9.897 39 HD13 LEU 5 HD13 LEU 5 -18.058 5.239 -8.503 40 HD21 LEU 5 HD21 LEU 5 -15.228 6.569 -10.562 41 HD22 LEU 5 HD22 LEU 5 -16.825 6.970 -9.930 42 HD23 LEU 5 HD23 LEU 5 -16.662 5.788 -11.230 43 H GLN 6 H GLN 6 -15.757 5.776 -5.018 44 HA GLN 6 HA GLN 6 -13.144 6.803 -4.195 45 HB2 GLN 6 HB2 GLN 6 -15.954 7.447 -3.290 46 HB3 GLN 6 HB3 GLN 6 -14.508 8.188 -2.621 47 HG2 GLN 6 HG2 GLN 6 -13.965 9.150 -4.771 48 HG3 GLN 6 HG3 GLN 6 -15.349 8.343 -5.505 49 HE21 GLN 6 HE21 GLN 6 -16.217 10.316 -6.167 50 HE22 GLN 6 HE22 GLN 6 -16.965 11.407 -5.053 51 H GLY 7 H GLY 7 -14.362 3.973 -3.779 52 HA2 GLY 7 HA2 GLY 7 -13.568 3.798 -0.955 53 HA3 GLY 7 HA3 GLY 7 -15.119 3.125 -1.439 54 H GLU 8 H GLU 8 -12.339 3.016 -3.545 55 HA GLU 8 HA GLU 8 -12.478 0.132 -3.530 56 HB2 GLU 8 HB2 GLU 8 -12.208 1.358 -5.652 57 HB3 GLU 8 HB3 GLU 8 -10.654 1.965 -5.095 58 HG2 GLU 8 HG2 GLU 8 -9.770 -0.291 -5.024 59 HG3 GLU 8 HG3 GLU 8 -11.329 -0.938 -5.512 60 H TRP 9 H TRP 9 -10.746 2.520 -1.884 61 HA TRP 9 HA TRP 9 -8.239 1.333 -1.499 62 HB2 TRP 9 HB2 TRP 9 -9.383 3.638 -0.644 63 HB3 TRP 9 HB3 TRP 9 -9.471 2.692 0.834 64 HD1 TRP 9 HD1 TRP 9 -7.447 5.251 -0.368 65 HE1 TRP 9 HE1 TRP 9 -4.991 5.105 0.386 66 HE3 TRP 9 HE3 TRP 9 -7.301 0.324 1.049 67 HZ2 TRP 9 HZ2 TRP 9 -3.238 3.182 1.428 68 HZ3 TRP 9 HZ3 TRP 9 -5.177 -0.585 1.904 69 HH2 TRP 9 HH2 TRP 9 -3.191 0.822 2.091 70 H MET 10 H MET 10 -11.128 1.207 0.578 71 HA MET 10 HA MET 10 -10.264 -0.729 2.377 72 HB2 MET 10 HB2 MET 10 -12.319 0.602 2.649 73 HB3 MET 10 HB3 MET 10 -13.071 -0.294 1.340 74 HG2 MET 10 HG2 MET 10 -12.869 -2.357 2.667 75 HG3 MET 10 HG3 MET 10 -12.183 -1.412 3.988 76 HE1 MET 10 HE1 MET 10 -15.187 0.941 4.911 77 HE2 MET 10 HE2 MET 10 -13.925 1.279 3.725 78 HE3 MET 10 HE3 MET 10 -13.513 0.513 5.260 79 H LYS 11 H LYS 11 -11.546 -1.066 -0.839 80 HA LYS 11 HA LYS 11 -12.136 -3.824 -0.706 81 HB2 LYS 11 HB2 LYS 11 -13.010 -2.088 -2.367 82 HB3 LYS 11 HB3 LYS 11 -11.482 -2.271 -3.210 83 HG2 LYS 11 HG2 LYS 11 -13.338 -4.573 -2.672 84 HG3 LYS 11 HG3 LYS 11 -13.439 -3.573 -4.117 85 HD2 LYS 11 HD2 LYS 11 -11.067 -5.218 -3.246 86 HD3 LYS 11 HD3 LYS 11 -12.177 -5.601 -4.563 87 HE2 LYS 11 HE2 LYS 11 -11.487 -3.584 -5.743 88 HE3 LYS 11 HE3 LYS 11 -10.398 -3.172 -4.421 89 HZ1 LYS 11 HZ1 LYS 11 -10.196 -5.499 -6.248 90 HZ2 LYS 11 HZ2 LYS 11 -9.245 -5.320 -4.854 91 HZ3 LYS 11 HZ3 LYS 11 -9.125 -4.189 -6.122 92 H ASN 12 H ASN 12 -9.371 -2.044 -2.138 93 HA ASN 12 HA ASN 12 -8.022 -4.495 -2.806 94 HB2 ASN 12 HB2 ASN 12 -6.341 -3.169 -3.789 95 HB3 ASN 12 HB3 ASN 12 -7.844 -2.329 -4.113 96 HD21 ASN 12 HD21 ASN 12 -8.199 -0.337 -3.213 97 HD22 ASN 12 HD22 ASN 12 -6.972 0.547 -2.384 98 H TYR 13 H TYR 13 -8.104 -2.377 -0.112 99 HA TYR 13 HA TYR 13 -5.747 -2.874 1.226 100 HB2 TYR 13 HB2 TYR 13 -7.380 -1.375 2.160 101 HB3 TYR 13 HB3 TYR 13 -8.577 -2.657 2.275 102 HD1 TYR 13 HD1 TYR 13 -5.273 -1.589 3.630 103 HD2 TYR 13 HD2 TYR 13 -8.815 -3.866 4.251 104 HE1 TYR 13 HE1 TYR 13 -4.597 -1.996 5.958 105 HE2 TYR 13 HE2 TYR 13 -8.145 -4.283 6.581 106 HH TYR 13 HH TYR 13 -5.997 -4.338 7.909 107 H GLU 14 H GLU 14 -8.631 -4.900 1.032 108 HA GLU 14 HA GLU 14 -7.768 -6.958 2.742 109 HB2 GLU 14 HB2 GLU 14 -9.730 -6.916 0.452 110 HB3 GLU 14 HB3 GLU 14 -9.470 -8.335 1.459 111 HG2 GLU 14 HG2 GLU 14 -10.245 -5.670 2.603 112 HG3 GLU 14 HG3 GLU 14 -11.433 -6.849 2.048 113 H GLU 15 H GLU 15 -7.274 -6.408 -0.707 114 HA GLU 15 HA GLU 15 -6.184 -8.934 -1.316 115 HB2 GLU 15 HB2 GLU 15 -6.104 -6.256 -2.627 116 HB3 GLU 15 HB3 GLU 15 -4.970 -7.485 -3.166 117 HG2 GLU 15 HG2 GLU 15 -6.840 -7.600 -4.594 118 HG3 GLU 15 HG3 GLU 15 -6.929 -8.998 -3.528 119 H LEU 16 H LEU 16 -4.667 -5.915 -0.220 120 HA LEU 16 HA LEU 16 -2.014 -7.042 -0.475 121 HB2 LEU 16 HB2 LEU 16 -2.790 -4.525 -0.656 122 HB3 LEU 16 HB3 LEU 16 -2.591 -4.549 1.086 123 HG LEU 16 HG LEU 16 -0.370 -5.378 -0.778 124 HD11 LEU 16 HD11 LEU 16 -1.006 -3.131 -1.402 125 HD12 LEU 16 HD12 LEU 16 0.527 -3.111 -0.531 126 HD13 LEU 16 HD13 LEU 16 -0.959 -2.623 0.287 127 HD21 LEU 16 HD21 LEU 16 -0.147 -6.032 1.573 128 HD22 LEU 16 HD22 LEU 16 -0.364 -4.352 2.061 129 HD23 LEU 16 HD23 LEU 16 1.052 -4.821 1.121 130 H LYS 17 H LYS 17 -4.403 -6.445 1.948 131 HA LYS 17 HA LYS 17 -3.144 -7.014 4.323 132 HB2 LYS 17 HB2 LYS 17 -5.504 -6.344 3.975 133 HB3 LYS 17 HB3 LYS 17 -5.856 -7.952 3.374 134 HG2 LYS 17 HG2 LYS 17 -5.206 -8.848 5.593 135 HG3 LYS 17 HG3 LYS 17 -5.077 -7.178 6.162 136 HD2 LYS 17 HD2 LYS 17 -7.415 -6.805 5.427 137 HD3 LYS 17 HD3 LYS 17 -7.527 -8.516 5.024 138 HE2 LYS 17 HE2 LYS 17 -7.077 -9.072 7.374 139 HE3 LYS 17 HE3 LYS 17 -7.026 -7.349 7.755 140 HZ1 LYS 17 HZ1 LYS 17 -9.338 -7.260 6.769 141 HZ2 LYS 17 HZ2 LYS 17 -9.188 -8.033 8.271 142 HZ3 LYS 17 HZ3 LYS 17 -9.344 -8.953 6.852 143 H SER 18 H SER 18 -4.661 -9.312 2.082 144 HA SER 18 HA SER 18 -3.697 -11.592 3.519 145 HB2 SER 18 HB2 SER 18 -5.824 -11.608 2.233 146 HB3 SER 18 HB3 SER 18 -4.901 -11.449 0.742 147 HG SER 18 HG SER 18 -4.967 -13.557 0.813 148 H PHE 19 H PHE 19 -2.638 -9.753 0.688 149 HA PHE 19 HA PHE 19 -0.791 -11.672 -0.268 150 HB2 PHE 19 HB2 PHE 19 -1.715 -9.496 -1.390 151 HB3 PHE 19 HB3 PHE 19 -0.332 -8.728 -0.615 152 HD1 PHE 19 HD1 PHE 19 1.971 -9.937 -1.023 153 HD2 PHE 19 HD2 PHE 19 -1.468 -10.376 -3.490 154 HE1 PHE 19 HE1 PHE 19 3.401 -10.673 -2.883 155 HE2 PHE 19 HE2 PHE 19 -0.042 -11.114 -5.351 156 HZ PHE 19 HZ PHE 19 2.398 -11.264 -5.051 157 H VAL 20 H VAL 20 -0.428 -8.919 1.946 158 HA VAL 20 HA VAL 20 2.380 -9.117 2.155 159 HB VAL 20 HB VAL 20 1.050 -7.087 2.755 160 HG11 VAL 20 HG11 VAL 20 0.473 -8.609 5.289 161 HG12 VAL 20 HG12 VAL 20 -0.707 -8.130 4.068 162 HG13 VAL 20 HG13 VAL 20 0.134 -6.900 5.011 163 HG21 VAL 20 HG21 VAL 20 2.505 -6.421 4.613 164 HG22 VAL 20 HG22 VAL 20 3.391 -7.267 3.343 165 HG23 VAL 20 HG23 VAL 20 2.973 -8.108 4.835 166 H ARG 21 H ARG 21 -0.229 -10.641 3.986 167 HA ARG 21 HA ARG 21 1.599 -11.741 5.922 168 HB2 ARG 21 HB2 ARG 21 -0.340 -12.950 6.789 169 HB3 ARG 21 HB3 ARG 21 -0.717 -11.254 6.551 170 HG2 ARG 21 HG2 ARG 21 -2.608 -12.268 5.753 171 HG3 ARG 21 HG3 ARG 21 -1.672 -12.066 4.271 172 HD2 ARG 21 HD2 ARG 21 -0.840 -14.398 4.556 173 HD3 ARG 21 HD3 ARG 21 -1.938 -14.572 5.924 174 HE ARG 21 HE ARG 21 -3.327 -13.706 3.605 175 HH11 ARG 21 HH11 ARG 21 -1.814 -16.536 4.997 176 HH12 ARG 21 HH12 ARG 21 -2.900 -17.654 4.230 177 HH21 ARG 21 HH21 ARG 21 -4.722 -15.157 2.556 178 HH22 ARG 21 HH22 ARG 21 -4.552 -16.871 2.821 179 H LYS 22 H LYS 22 0.733 -12.475 2.771 180 HA LYS 22 HA LYS 22 0.994 -15.363 3.030 181 HB2 LYS 22 HB2 LYS 22 -0.753 -14.381 1.576 182 HB3 LYS 22 HB3 LYS 22 0.502 -13.678 0.571 183 HG2 LYS 22 HG2 LYS 22 -0.328 -15.649 -0.495 184 HG3 LYS 22 HG3 LYS 22 1.315 -15.961 0.067 185 HD2 LYS 22 HD2 LYS 22 0.470 -17.180 1.975 186 HD3 LYS 22 HD3 LYS 22 -1.192 -16.774 1.537 187 HE2 LYS 22 HE2 LYS 22 0.699 -18.378 -0.181 188 HE3 LYS 22 HE3 LYS 22 -0.524 -19.076 0.881 189 HZ1 LYS 22 HZ1 LYS 22 -2.244 -18.070 -0.404 190 HZ2 LYS 22 HZ2 LYS 22 -1.211 -18.872 -1.483 191 HZ3 LYS 22 HZ3 LYS 22 -1.137 -17.186 -1.333 192 H TYR 23 H TYR 23 2.571 -12.769 1.134 193 HA TYR 23 HA TYR 23 4.929 -14.534 0.932 194 HB2 TYR 23 HB2 TYR 23 3.936 -12.400 -0.960 195 HB3 TYR 23 HB3 TYR 23 5.516 -13.160 -1.098 196 HD1 TYR 23 HD2 TYR 23 5.668 -15.594 -1.589 197 HD2 TYR 23 HD1 TYR 23 1.971 -13.493 -1.728 198 HE1 TYR 23 HE2 TYR 23 4.685 -17.427 -2.898 199 HE2 TYR 23 HE1 TYR 23 0.975 -15.319 -3.041 200 HH TYR 23 HH TYR 23 1.647 -17.145 -4.472 201 H ARG 24 H ARG 24 3.774 -11.798 2.406 202 HA ARG 24 HA ARG 24 4.609 -9.955 3.379 203 HB2 ARG 24 HB2 ARG 24 6.932 -11.775 3.440 204 HB3 ARG 24 HB3 ARG 24 7.308 -10.064 3.612 205 HG2 ARG 24 HG2 ARG 24 7.016 -10.927 5.799 206 HG3 ARG 24 HG3 ARG 24 5.583 -9.969 5.431 207 HD2 ARG 24 HD2 ARG 24 4.676 -11.863 6.378 208 HD3 ARG 24 HD3 ARG 24 4.568 -12.207 4.655 209 HE ARG 24 HE ARG 24 6.796 -13.247 6.291 210 HH11 ARG 24 HH11 ARG 24 4.115 -13.750 4.119 211 HH12 ARG 24 HH12 ARG 24 4.484 -15.418 3.827 212 HH21 ARG 24 HH21 ARG 24 7.273 -15.466 5.927 213 HH22 ARG 24 HH22 ARG 24 6.267 -16.392 4.854 214 H ARG 25 H ARG 25 4.111 -8.483 1.958 215 HA ARG 25 HA ARG 25 4.249 -6.937 0.300 216 HB2 ARG 25 HB2 ARG 25 7.201 -7.603 0.286 217 HB3 ARG 25 HB3 ARG 25 6.460 -6.247 -0.547 218 HG2 ARG 25 HG2 ARG 25 5.723 -5.375 1.660 219 HG3 ARG 25 HG3 ARG 25 6.654 -6.671 2.420 220 HD2 ARG 25 HD2 ARG 25 7.769 -4.586 0.554 221 HD3 ARG 25 HD3 ARG 25 7.902 -4.552 2.310 222 HE ARG 25 HE ARG 25 9.049 -6.857 1.885 223 HH11 ARG 25 HH11 ARG 25 9.372 -3.941 -0.033 224 HH12 ARG 25 HH12 ARG 25 10.969 -4.337 -0.590 225 HH21 ARG 25 HH21 ARG 25 11.178 -7.347 1.154 226 HH22 ARG 25 HH22 ARG 25 11.982 -6.234 0.079 227 H PHE 26 H PHE 26 5.313 -6.727 -2.070 228 HA PHE 26 HA PHE 26 5.415 -9.392 -3.276 229 HB2 PHE 26 HB2 PHE 26 4.427 -8.191 -5.382 230 HB3 PHE 26 HB3 PHE 26 3.357 -8.762 -4.111 231 HD1 PHE 26 HD1 PHE 26 2.331 -7.150 -2.541 232 HD2 PHE 26 HD2 PHE 26 4.613 -5.877 -5.901 233 HE1 PHE 26 HE1 PHE 26 1.328 -4.912 -2.367 234 HE2 PHE 26 HE2 PHE 26 3.614 -3.631 -5.726 235 HZ PHE 26 HZ PHE 26 1.966 -3.152 -3.960 236 HA PRO 27 HA PRO 27 9.322 -7.121 -3.993 237 HB2 PRO 27 HB2 PRO 27 10.420 -9.851 -4.016 238 HB3 PRO 27 HB3 PRO 27 10.874 -8.467 -3.020 239 HG2 PRO 27 HG2 PRO 27 9.570 -10.572 -1.989 240 HG3 PRO 27 HG3 PRO 27 9.273 -8.919 -1.421 241 HD2 PRO 27 HD2 PRO 27 7.654 -10.592 -3.306 242 HD3 PRO 27 HD3 PRO 27 7.107 -9.534 -1.987 243 H LYS 28 H LYS 28 9.161 -6.463 -6.064 244 HA LYS 28 HA LYS 28 9.444 -6.422 -8.309 245 HB2 LYS 28 HB2 LYS 28 10.964 -8.985 -7.787 246 HB3 LYS 28 HB3 LYS 28 11.009 -8.071 -9.290 247 HG2 LYS 28 HG2 LYS 28 11.980 -6.170 -8.134 248 HG3 LYS 28 HG3 LYS 28 11.884 -7.035 -6.600 249 HD2 LYS 28 HD2 LYS 28 13.390 -8.763 -7.525 250 HD3 LYS 28 HD3 LYS 28 13.536 -7.807 -9.001 251 HE2 LYS 28 HE2 LYS 28 15.431 -7.448 -7.481 252 HE3 LYS 28 HE3 LYS 28 14.509 -5.968 -7.749 253 HZ1 LYS 28 HZ1 LYS 28 14.188 -7.744 -5.388 254 HZ2 LYS 28 HZ2 LYS 28 13.448 -6.240 -5.626 255 HZ3 LYS 28 HZ3 LYS 28 15.126 -6.331 -5.400 256 H SER 29 H SER 29 7.163 -7.860 -7.078 257 HA SER 29 HA SER 29 6.477 -9.829 -9.101 258 HB2 SER 29 HB2 SER 29 4.862 -8.762 -6.772 259 HB3 SER 29 HB3 SER 29 4.423 -10.133 -7.793 260 HG SER 29 HG SER 29 6.922 -10.149 -6.520 261 H THR 30 H THR 30 5.158 -9.444 -10.802 262 HA THR 30 HA THR 30 4.669 -6.722 -11.501 263 HB THR 30 HB THR 30 3.397 -7.810 -13.452 264 HG1 THR 30 HG1 THR 30 4.551 -10.145 -13.439 265 HG21 THR 30 HG21 THR 30 5.480 -8.400 -14.580 266 HG22 THR 30 HG22 THR 30 6.311 -8.481 -13.027 267 HG23 THR 30 HG23 THR 30 5.685 -6.940 -13.612 268 H GLU 31 H GLU 31 2.616 -9.437 -10.518 269 HA GLU 31 HA GLU 31 0.490 -9.551 -9.725 270 HB2 GLU 31 HB2 GLU 31 1.791 -7.482 -8.395 271 HB3 GLU 31 HB3 GLU 31 0.267 -6.760 -8.890 272 HG2 GLU 31 HG2 GLU 31 0.494 -9.338 -7.352 273 HG3 GLU 31 HG3 GLU 31 0.259 -7.757 -6.613 274 H GLY 32 H GLY 32 -1.512 -7.527 -9.592 275 HA2 GLY 32 HA2 GLY 32 -1.787 -6.713 -12.416 276 HA3 GLY 32 HA3 GLY 32 -3.120 -7.467 -11.550 277 H ASN 33 H ASN 33 -4.136 -6.338 -9.863 278 HA ASN 33 HA ASN 33 -4.304 -3.538 -10.323 279 HB2 ASN 33 HB2 ASN 33 -5.836 -3.640 -8.248 280 HB3 ASN 33 HB3 ASN 33 -6.343 -4.470 -9.711 281 HD21 ASN 33 HD21 ASN 33 -7.661 -5.897 -8.674 282 HD22 ASN 33 HD22 ASN 33 -7.064 -7.171 -7.657 283 H LEU 34 H LEU 34 -2.808 -5.496 -7.755 284 HA LEU 34 HA LEU 34 -2.005 -3.174 -6.263 285 HB2 LEU 34 HB2 LEU 34 -1.400 -6.082 -6.096 286 HB3 LEU 34 HB3 LEU 34 -0.311 -4.961 -5.307 287 HG LEU 34 HG LEU 34 -2.460 -4.030 -4.179 288 HD11 LEU 34 HD11 LEU 34 -3.399 -6.779 -4.968 289 HD12 LEU 34 HD12 LEU 34 -4.085 -5.245 -5.509 290 HD13 LEU 34 HD13 LEU 34 -4.189 -5.712 -3.809 291 HD21 LEU 34 HD21 LEU 34 -0.650 -5.182 -3.018 292 HD22 LEU 34 HD22 LEU 34 -1.372 -6.739 -3.435 293 HD23 LEU 34 HD23 LEU 34 -2.230 -5.623 -2.370 294 H GLY 35 H GLY 35 -0.676 -5.042 -8.868 295 HA2 GLY 35 HA2 GLY 35 2.011 -4.234 -8.703 296 HA3 GLY 35 HA3 GLY 35 1.186 -4.718 -10.180 297 H GLY 36 H GLY 36 -0.732 -2.797 -10.422 298 HA2 GLY 36 HA2 GLY 36 0.785 -0.510 -11.294 299 HA3 GLY 36 HA3 GLY 36 -0.963 -0.702 -11.389 300 H TRP 37 H TRP 37 -1.185 -1.349 -8.570 301 HA TRP 37 HA TRP 37 -1.731 1.142 -7.442 302 HB2 TRP 37 HB2 TRP 37 -2.440 -1.286 -6.777 303 HB3 TRP 37 HB3 TRP 37 -0.998 -1.239 -5.774 304 HD1 TRP 37 HD1 TRP 37 -4.158 0.935 -6.304 305 HE1 TRP 37 HE1 TRP 37 -4.865 1.846 -4.015 306 HE3 TRP 37 HE3 TRP 37 -0.383 -0.995 -3.464 307 HZ2 TRP 37 HZ2 TRP 37 -3.954 1.753 -1.340 308 HZ3 TRP 37 HZ3 TRP 37 -0.371 -0.542 -1.045 309 HH2 TRP 37 HH2 TRP 37 -2.121 0.805 -0.009 310 H CYS 38 H CYS 38 0.957 -1.088 -6.714 311 HA CYS 38 HA CYS 38 2.309 0.657 -4.972 312 HB2 CYS 38 HB2 CYS 38 2.694 -1.798 -5.131 313 HB3 CYS 38 HB3 CYS 38 3.517 -1.538 -6.666 314 HG CYS 38 HG CYS 38 5.766 -1.588 -5.400 315 H HIS 39 H HIS 39 2.746 0.028 -8.437 316 HA HIS 39 HA HIS 39 5.009 1.603 -8.851 317 HB2 HIS 39 HB2 HIS 39 2.839 0.578 -10.608 318 HB3 HIS 39 HB3 HIS 39 3.882 1.842 -11.247 319 HD1 HIS 39 HD1 HIS 39 3.716 -1.770 -10.692 320 HD2 HIS 39 HD2 HIS 39 6.682 1.075 -11.325 321 HE1 HIS 39 HE1 HIS 39 5.762 -3.060 -11.382 322 HE2 HIS 39 HE2 HIS 39 7.472 -1.304 -11.964 323 H THR 40 H THR 40 1.578 2.528 -9.054 324 HA THR 40 HA THR 40 2.161 5.133 -10.028 325 HB THR 40 HB THR 40 -0.051 3.766 -10.198 326 HG1 THR 40 HG1 THR 40 -1.024 5.626 -10.768 327 HG21 THR 40 HG21 THR 40 -0.463 3.510 -7.801 328 HG22 THR 40 HG22 THR 40 -1.768 4.405 -8.579 329 HG23 THR 40 HG23 THR 40 -0.558 5.263 -7.625 330 H GLN 41 H GLN 41 1.784 3.763 -6.825 331 HA GLN 41 HA GLN 41 1.478 6.372 -5.621 332 HB2 GLN 41 HB2 GLN 41 1.129 3.580 -4.731 333 HB3 GLN 41 HB3 GLN 41 1.595 4.747 -3.495 334 HG2 GLN 41 HG2 GLN 41 -0.392 5.784 -3.533 335 HG3 GLN 41 HG3 GLN 41 -0.543 5.646 -5.283 336 HE21 GLN 41 HE21 GLN 41 -1.531 3.888 -6.162 337 HE22 GLN 41 HE22 GLN 41 -2.460 2.769 -5.238 338 H ARG 42 H ARG 42 4.108 4.143 -6.149 339 HA ARG 42 HA ARG 42 5.782 5.248 -4.126 340 HB2 ARG 42 HB2 ARG 42 7.665 4.215 -5.327 341 HB3 ARG 42 HB3 ARG 42 6.347 3.086 -5.078 342 HG2 ARG 42 HG2 ARG 42 7.046 2.627 -7.230 343 HG3 ARG 42 HG3 ARG 42 5.664 3.687 -7.487 344 HD2 ARG 42 HD2 ARG 42 7.595 4.227 -8.935 345 HD3 ARG 42 HD3 ARG 42 7.113 5.562 -7.892 346 HE ARG 42 HE ARG 42 9.078 4.297 -6.481 347 HH11 ARG 42 HH11 ARG 42 8.887 5.574 -9.742 348 HH12 ARG 42 HH12 ARG 42 10.554 6.059 -9.784 349 HH21 ARG 42 HH21 ARG 42 11.266 4.939 -6.543 350 HH22 ARG 42 HH22 ARG 42 11.905 5.704 -7.968 351 H LYS 43 H LYS 43 4.742 6.288 -7.203 352 HA LYS 43 HA LYS 43 6.792 8.204 -7.673 353 HB2 LYS 43 HB2 LYS 43 5.565 7.346 -9.537 354 HB3 LYS 43 HB3 LYS 43 4.028 7.762 -8.802 355 HG2 LYS 43 HG2 LYS 43 5.816 10.034 -9.256 356 HG3 LYS 43 HG3 LYS 43 5.270 9.207 -10.719 357 HD2 LYS 43 HD2 LYS 43 3.467 10.204 -8.516 358 HD3 LYS 43 HD3 LYS 43 3.779 11.053 -10.025 359 HE2 LYS 43 HE2 LYS 43 2.706 8.249 -9.950 360 HE3 LYS 43 HE3 LYS 43 1.649 9.659 -9.887 361 HZ1 LYS 43 HZ1 LYS 43 3.612 9.165 -12.065 362 HZ2 LYS 43 HZ2 LYS 43 2.392 10.347 -12.020 363 HZ3 LYS 43 HZ3 LYS 43 1.977 8.707 -12.136 364 H MET 44 H MET 44 3.712 8.175 -5.964 365 HA MET 44 HA MET 44 3.547 10.969 -5.459 366 HB2 MET 44 HB2 MET 44 2.584 8.846 -3.542 367 HB3 MET 44 HB3 MET 44 1.928 10.454 -3.805 368 HG2 MET 44 HG2 MET 44 1.786 8.125 -5.692 369 HG3 MET 44 HG3 MET 44 0.466 8.794 -4.732 370 HE1 MET 44 HE1 MET 44 0.855 8.208 -7.917 371 HE2 MET 44 HE2 MET 44 -0.080 9.531 -8.621 372 HE3 MET 44 HE3 MET 44 -0.713 8.639 -7.235 373 H ARG 45 H ARG 45 5.280 8.331 -3.917 374 HA ARG 45 HA ARG 45 5.949 9.848 -1.584 375 HB2 ARG 45 HB2 ARG 45 5.938 7.331 -1.667 376 HB3 ARG 45 HB3 ARG 45 7.424 7.419 -2.604 377 HG2 ARG 45 HG2 ARG 45 7.776 7.038 -0.169 378 HG3 ARG 45 HG3 ARG 45 8.585 8.480 -0.797 379 HD2 ARG 45 HD2 ARG 45 6.603 9.807 -0.044 380 HD3 ARG 45 HD3 ARG 45 5.997 8.355 0.735 381 HE ARG 45 HE ARG 45 8.658 9.042 1.562 382 HH11 ARG 45 HH11 ARG 45 5.245 9.667 2.113 383 HH12 ARG 45 HH12 ARG 45 5.487 10.329 3.700 384 HH21 ARG 45 HH21 ARG 45 8.963 9.932 3.662 385 HH22 ARG 45 HH22 ARG 45 7.587 10.454 4.583 386 H LYS 46 H LYS 46 7.590 9.077 -4.606 387 HA LYS 46 HA LYS 46 10.000 10.419 -4.195 388 HB2 LYS 46 HB2 LYS 46 9.492 9.053 -6.201 389 HB3 LYS 46 HB3 LYS 46 8.386 10.304 -6.756 390 HG2 LYS 46 HG2 LYS 46 10.433 11.864 -6.620 391 HG3 LYS 46 HG3 LYS 46 11.374 10.372 -6.586 392 HD2 LYS 46 HD2 LYS 46 11.222 11.129 -8.856 393 HD3 LYS 46 HD3 LYS 46 10.233 9.677 -8.685 394 HE2 LYS 46 HE2 LYS 46 8.227 11.022 -8.550 395 HE3 LYS 46 HE3 LYS 46 9.180 12.505 -8.584 396 HZ1 LYS 46 HZ1 LYS 46 9.964 11.823 -10.817 397 HZ2 LYS 46 HZ2 LYS 46 8.298 12.124 -10.747 398 HZ3 LYS 46 HZ3 LYS 46 8.869 10.525 -10.779 399 H GLN 47 H GLN 47 6.905 11.623 -5.402 400 HA GLN 47 HA GLN 47 7.584 14.349 -5.591 401 HB2 GLN 47 HB2 GLN 47 4.943 12.951 -5.154 402 HB3 GLN 47 HB3 GLN 47 5.075 14.681 -5.401 403 HG2 GLN 47 HG2 GLN 47 6.102 14.271 -7.592 404 HG3 GLN 47 HG3 GLN 47 5.904 12.536 -7.336 405 HE21 GLN 47 HE21 GLN 47 3.816 11.661 -7.315 406 HE22 GLN 47 HE22 GLN 47 2.480 12.492 -8.030 407 H GLY 48 H GLY 48 6.701 12.336 -2.903 408 HA2 GLY 48 HA2 GLY 48 6.852 12.790 -0.636 409 HA3 GLY 48 HA3 GLY 48 7.280 14.452 -1.029 410 H LYS 49 H LYS 49 4.461 12.872 -2.323 411 HA LYS 49 HA LYS 49 2.790 14.763 -0.804 412 HB2 LYS 49 HB2 LYS 49 1.219 14.679 -2.690 413 HB3 LYS 49 HB3 LYS 49 2.805 15.243 -3.190 414 HG2 LYS 49 HG2 LYS 49 3.291 13.262 -4.320 415 HG3 LYS 49 HG3 LYS 49 2.029 12.366 -3.476 416 HD2 LYS 49 HD2 LYS 49 1.535 14.599 -5.446 417 HD3 LYS 49 HD3 LYS 49 1.448 12.878 -5.827 418 HE2 LYS 49 HE2 LYS 49 -0.316 12.605 -4.145 419 HE3 LYS 49 HE3 LYS 49 -0.244 14.331 -3.799 420 HZ1 LYS 49 HZ1 LYS 49 -2.043 13.962 -5.272 421 HZ2 LYS 49 HZ2 LYS 49 -1.096 13.034 -6.322 422 HZ3 LYS 49 HZ3 LYS 49 -0.816 14.699 -6.185 423 H LEU 50 H LEU 50 3.620 11.636 -0.898 424 HA LEU 50 HA LEU 50 1.237 10.170 -0.887 425 HB2 LEU 50 HB2 LEU 50 3.999 9.768 -0.163 426 HB3 LEU 50 HB3 LEU 50 2.967 9.038 1.042 427 HG LEU 50 HG LEU 50 3.084 8.386 -1.899 428 HD11 LEU 50 HD11 LEU 50 4.857 7.416 -0.548 429 HD12 LEU 50 HD12 LEU 50 3.729 6.173 -1.089 430 HD13 LEU 50 HD13 LEU 50 3.661 6.762 0.574 431 HD21 LEU 50 HD21 LEU 50 1.380 6.695 -1.459 432 HD22 LEU 50 HD22 LEU 50 0.760 8.323 -1.175 433 HD23 LEU 50 HD23 LEU 50 1.207 7.296 0.189 434 HA PRO 51 HA PRO 51 -0.384 11.400 3.124 435 HB2 PRO 51 HB2 PRO 51 -2.362 9.324 2.944 436 HB3 PRO 51 HB3 PRO 51 -2.576 11.058 2.701 437 HG2 PRO 51 HG2 PRO 51 -2.797 9.166 0.716 438 HG3 PRO 51 HG3 PRO 51 -2.435 10.879 0.440 439 HD2 PRO 51 HD2 PRO 51 -0.581 8.533 0.504 440 HD3 PRO 51 HD3 PRO 51 -0.560 9.968 -0.533 441 H ASN 52 H ASN 52 -0.650 10.496 5.174 442 HA ASN 52 HA ASN 52 1.242 8.490 5.819 443 HB2 ASN 52 HB2 ASN 52 0.808 10.391 7.289 444 HB3 ASN 52 HB3 ASN 52 -0.863 9.877 7.490 445 HD21 ASN 52 HD21 ASN 52 -0.749 9.665 9.651 446 HD22 ASN 52 HD22 ASN 52 0.153 8.418 10.428 447 H ASP 53 H ASP 53 -2.207 8.573 5.363 448 HA ASP 53 HA ASP 53 -3.116 6.435 6.817 449 HB2 ASP 53 HB2 ASP 53 -4.017 7.399 4.101 450 HB3 ASP 53 HB3 ASP 53 -4.916 6.244 5.083 451 H ARG 54 H ARG 54 -1.946 6.310 3.453 452 HA ARG 54 HA ARG 54 -2.306 3.550 3.101 453 HB2 ARG 54 HB2 ARG 54 -1.924 5.043 1.216 454 HB3 ARG 54 HB3 ARG 54 -0.317 5.433 1.812 455 HG2 ARG 54 HG2 ARG 54 0.281 3.016 1.512 456 HG3 ARG 54 HG3 ARG 54 -1.275 2.806 0.705 457 HD2 ARG 54 HD2 ARG 54 -0.597 4.634 -0.871 458 HD3 ARG 54 HD3 ARG 54 1.008 4.578 -0.143 459 HE ARG 54 HE ARG 54 -0.254 2.421 -1.702 460 HH11 ARG 54 HH11 ARG 54 2.587 3.908 -0.310 461 HH12 ARG 54 HH12 ARG 54 3.700 2.890 -1.155 462 HH21 ARG 54 HH21 ARG 54 1.204 1.069 -2.828 463 HH22 ARG 54 HH22 ARG 54 2.911 1.262 -2.596 464 H ARG 55 H ARG 55 0.572 5.388 4.045 465 HA ARG 55 HA ARG 55 2.279 3.163 4.332 466 HB2 ARG 55 HB2 ARG 55 3.210 5.338 3.981 467 HB3 ARG 55 HB3 ARG 55 2.385 5.992 5.383 468 HG2 ARG 55 HG2 ARG 55 4.373 3.809 5.784 469 HG3 ARG 55 HG3 ARG 55 4.946 5.444 5.439 470 HD2 ARG 55 HD2 ARG 55 3.546 6.267 7.309 471 HD3 ARG 55 HD3 ARG 55 3.130 4.598 7.691 472 HE ARG 55 HE ARG 55 5.704 5.913 8.119 473 HH11 ARG 55 HH11 ARG 55 3.849 2.946 8.211 474 HH12 ARG 55 HH12 ARG 55 4.869 2.194 9.402 475 HH21 ARG 55 HH21 ARG 55 7.034 4.949 9.694 476 HH22 ARG 55 HH22 ARG 55 6.665 3.350 10.281 477 H LEU 56 H LEU 56 -0.063 4.624 6.431 478 HA LEU 56 HA LEU 56 0.878 3.379 8.834 479 HB2 LEU 56 HB2 LEU 56 -0.509 5.497 8.660 480 HB3 LEU 56 HB3 LEU 56 -1.880 4.464 8.304 481 HG LEU 56 HG LEU 56 -1.592 3.358 10.500 482 HD11 LEU 56 HD11 LEU 56 0.784 3.730 10.813 483 HD12 LEU 56 HD12 LEU 56 -0.126 4.404 12.166 484 HD13 LEU 56 HD13 LEU 56 0.518 5.469 10.917 485 HD21 LEU 56 HD21 LEU 56 -3.168 5.183 10.272 486 HD22 LEU 56 HD22 LEU 56 -1.886 6.356 10.576 487 HD23 LEU 56 HD23 LEU 56 -2.386 5.245 11.852 488 H LEU 57 H LEU 57 -1.899 2.808 6.670 489 HA LEU 57 HA LEU 57 -2.884 0.534 7.977 490 HB2 LEU 57 HB2 LEU 57 -3.168 1.715 5.271 491 HB3 LEU 57 HB3 LEU 57 -3.621 0.033 5.439 492 HG LEU 57 HG LEU 57 -5.240 0.637 7.190 493 HD11 LEU 57 HD11 LEU 57 -5.782 2.979 7.609 494 HD12 LEU 57 HD12 LEU 57 -4.426 3.475 6.597 495 HD13 LEU 57 HD13 LEU 57 -4.131 2.597 8.097 496 HD21 LEU 57 HD21 LEU 57 -5.985 0.532 4.885 497 HD22 LEU 57 HD22 LEU 57 -5.529 2.218 4.641 498 HD23 LEU 57 HD23 LEU 57 -6.837 1.812 5.752 499 H LEU 58 H LEU 58 -0.517 0.808 5.347 500 HA LEU 58 HA LEU 58 -0.126 -1.952 4.961 501 HB2 LEU 58 HB2 LEU 58 1.854 0.299 4.578 502 HB3 LEU 58 HB3 LEU 58 2.026 -1.326 3.942 503 HG LEU 58 HG LEU 58 -0.056 0.710 3.153 504 HD11 LEU 58 HD11 LEU 58 2.123 1.148 2.202 505 HD12 LEU 58 HD12 LEU 58 1.029 0.550 0.955 506 HD13 LEU 58 HD13 LEU 58 2.246 -0.521 1.647 507 HD21 LEU 58 HD21 LEU 58 -1.040 -1.513 3.179 508 HD22 LEU 58 HD22 LEU 58 0.295 -2.132 2.209 509 HD23 LEU 58 HD23 LEU 58 -0.820 -0.948 1.523 510 H ASP 59 H ASP 59 1.386 0.363 7.136 511 HA ASP 59 HA ASP 59 3.416 -1.227 8.190 512 HB2 ASP 59 HB2 ASP 59 3.217 1.187 8.609 513 HB3 ASP 59 HB3 ASP 59 1.774 0.907 9.575 514 H LYS 60 H LYS 60 0.015 -0.979 9.058 515 HA LYS 60 HA LYS 60 0.300 -2.517 11.441 516 HB2 LYS 60 HB2 LYS 60 -1.884 -1.125 10.014 517 HB3 LYS 60 HB3 LYS 60 -2.348 -2.416 11.103 518 HG2 LYS 60 HG2 LYS 60 -2.414 -0.377 12.328 519 HG3 LYS 60 HG3 LYS 60 -1.008 -1.280 12.890 520 HD2 LYS 60 HD2 LYS 60 0.239 0.096 11.047 521 HD3 LYS 60 HD3 LYS 60 -1.136 1.186 11.211 522 HE2 LYS 60 HE2 LYS 60 0.519 2.001 12.673 523 HE3 LYS 60 HE3 LYS 60 -0.671 1.192 13.690 524 HZ1 LYS 60 HZ1 LYS 60 1.600 0.638 14.330 525 HZ2 LYS 60 HZ2 LYS 60 1.904 0.008 12.786 526 HZ3 LYS 60 HZ3 LYS 60 0.764 -0.739 13.804 527 H ILE 61 H ILE 61 -0.591 -3.260 8.116 528 HA ILE 61 HA ILE 61 -1.491 -5.906 8.870 529 HB ILE 61 HB ILE 61 -1.538 -6.364 6.404 530 HG12 ILE 61 HG12 ILE 61 -0.862 -3.419 6.240 531 HG13 ILE 61 HG13 ILE 61 0.149 -4.749 5.681 532 HG21 ILE 61 HG21 ILE 61 -3.522 -5.689 7.617 533 HG22 ILE 61 HG22 ILE 61 -3.517 -4.979 6.002 534 HG23 ILE 61 HG23 ILE 61 -3.098 -3.990 7.403 535 HD11 ILE 61 HD11 ILE 61 -1.534 -5.324 4.012 536 HD12 ILE 61 HD12 ILE 61 -0.983 -3.659 3.831 537 HD13 ILE 61 HD13 ILE 61 -2.547 -3.995 4.575 538 H GLY 62 H GLY 62 1.493 -4.413 8.243 539 HA2 GLY 62 HA2 GLY 62 3.393 -5.678 9.107 540 HA3 GLY 62 HA3 GLY 62 2.726 -7.092 8.312 541 H PHE 63 H PHE 63 2.709 -4.061 6.645 542 HA PHE 63 HA PHE 63 4.552 -5.163 4.685 543 HB2 PHE 63 HB2 PHE 63 2.380 -4.067 4.022 544 HB3 PHE 63 HB3 PHE 63 3.031 -2.543 4.607 545 HD1 PHE 63 HD2 PHE 63 5.053 -1.564 3.457 546 HD2 PHE 63 HD1 PHE 63 2.868 -4.861 1.877 547 HE1 PHE 63 HE2 PHE 63 6.015 -1.134 1.233 548 HE2 PHE 63 HE1 PHE 63 3.830 -4.436 -0.346 549 HZ PHE 63 HZ PHE 63 5.403 -2.572 -0.672 550 H VAL 64 H VAL 64 6.580 -4.983 5.236 551 HA VAL 64 HA VAL 64 7.514 -2.547 6.524 552 HB VAL 64 HB VAL 64 8.001 -4.714 7.580 553 HG11 VAL 64 HG11 VAL 64 9.710 -6.198 6.610 554 HG12 VAL 64 HG12 VAL 64 9.644 -5.258 5.119 555 HG13 VAL 64 HG13 VAL 64 8.221 -6.145 5.666 556 HG21 VAL 64 HG21 VAL 64 10.435 -3.233 6.597 557 HG22 VAL 64 HG22 VAL 64 10.384 -4.314 7.991 558 HG23 VAL 64 HG23 VAL 64 9.451 -2.817 8.000 559 H TRP 65 H TRP 65 8.778 -1.111 5.510 560 HA TRP 65 HA TRP 65 9.011 -1.250 2.690 561 HB2 TRP 65 HB2 TRP 65 10.335 0.697 4.585 562 HB3 TRP 65 HB3 TRP 65 10.093 0.922 2.853 563 HD1 TRP 65 HD1 TRP 65 8.354 1.321 6.169 564 HE1 TRP 65 HE1 TRP 65 6.004 2.300 5.806 565 HE3 TRP 65 HE3 TRP 65 8.062 0.870 1.084 566 HZ2 TRP 65 HZ2 TRP 65 4.254 2.818 3.648 567 HZ3 TRP 65 HZ3 TRP 65 6.015 1.624 -0.051 568 HH2 TRP 65 HH2 TRP 65 4.150 2.576 1.203 569 H SER 66 H SER 66 11.177 -1.958 5.306 570 HA SER 66 HA SER 66 13.168 -3.018 5.420 571 HB2 SER 66 HB2 SER 66 12.662 -3.667 2.508 572 HB3 SER 66 HB3 SER 66 13.857 -4.445 3.543 573 HG SER 66 HG SER 66 11.052 -4.626 3.598 574 H LEU 67 H LEU 67 15.389 -3.206 4.024 575 HA LEU 67 HA LEU 67 16.232 -0.442 3.843 576 HB2 LEU 67 HB2 LEU 67 18.442 -1.215 4.025 577 HB3 LEU 67 HB3 LEU 67 17.503 -2.237 5.093 578 HG LEU 67 HG LEU 67 18.363 -3.063 2.315 579 HD11 LEU 67 HD11 LEU 67 19.620 -3.741 4.970 580 HD12 LEU 67 HD12 LEU 67 20.306 -2.665 3.752 581 HD13 LEU 67 HD13 LEU 67 20.093 -4.380 3.394 582 HD21 LEU 67 HD21 LEU 67 16.408 -4.257 3.175 583 HD22 LEU 67 HD22 LEU 67 17.299 -4.665 4.641 584 HD23 LEU 67 HD23 LEU 67 17.818 -5.312 3.084 585 H GLU 68 H GLU 68 14.677 -2.006 1.659 586 HA GLU 68 HA GLU 68 16.520 -2.009 -0.556 587 HB2 GLU 68 HB2 GLU 68 13.518 -2.348 -0.514 588 HB3 GLU 68 HB3 GLU 68 14.549 -2.600 -1.917 589 HG2 GLU 68 HG2 GLU 68 15.758 -4.344 -0.542 590 HG3 GLU 68 HG3 GLU 68 14.440 -4.203 0.621 591 H HIS 69 H HIS 69 15.121 0.416 1.075 592 HA HIS 69 HA HIS 69 15.453 2.176 -1.241 593 HB2 HIS 69 HB2 HIS 69 13.014 1.929 -0.855 594 HB3 HIS 69 HB3 HIS 69 13.233 2.492 0.799 595 HD1 HIS 69 HD1 HIS 69 13.059 3.687 -2.729 596 HD2 HIS 69 HD2 HIS 69 13.743 5.256 1.064 597 HE1 HIS 69 HE1 HIS 69 12.936 6.189 -2.988 598 HE2 HIS 69 HE2 HIS 69 13.616 7.100 -0.742 599 H HIS 70 H HIS 70 14.998 2.081 2.281 600 HA HIS 70 HA HIS 70 16.958 4.227 2.564 601 HB2 HIS 70 HB2 HIS 70 14.847 4.354 3.878 602 HB3 HIS 70 HB3 HIS 70 15.291 2.859 4.694 603 HD1 HIS 70 HD1 HIS 70 16.176 6.497 4.496 604 HD2 HIS 70 HD2 HIS 70 17.206 3.132 6.720 605 HE1 HIS 70 HE1 HIS 70 17.527 7.354 6.441 606 HE2 HIS 70 HE2 HIS 70 18.044 5.314 7.840 607 H HIS 71 H HIS 71 18.975 3.532 2.459 608 HA HIS 71 HA HIS 71 19.649 0.811 3.175 609 HB2 HIS 71 HB2 HIS 71 21.397 3.072 2.182 610 HB3 HIS 71 HB3 HIS 71 21.907 1.398 2.366 611 HD1 HIS 71 HD1 HIS 71 20.912 -0.338 0.646 612 HD2 HIS 71 HD2 HIS 71 19.976 3.648 -0.106 613 HE1 HIS 71 HE1 HIS 71 20.058 -0.271 -1.720 614 HE2 HIS 71 HE2 HIS 71 19.665 2.173 -2.209 615 H HIS 72 H HIS 72 21.731 0.479 4.443 616 HA HIS 72 HA HIS 72 21.421 1.891 6.979 617 HB2 HIS 72 HB2 HIS 72 21.540 -0.667 6.742 618 HB3 HIS 72 HB3 HIS 72 23.256 -0.443 6.422 619 HD1 HIS 72 HD1 HIS 72 24.645 -0.765 8.444 620 HD2 HIS 72 HD2 HIS 72 20.861 0.718 9.369 621 HE1 HIS 72 HE1 HIS 72 24.579 -0.563 10.954 622 HE2 HIS 72 HE2 HIS 72 22.356 0.508 11.470 623 H HIS 73 H HIS 73 22.988 3.188 7.865 624 HA HIS 73 HA HIS 73 24.706 4.543 6.133 625 HB2 HIS 73 HB2 HIS 73 23.865 4.857 8.770 626 HB3 HIS 73 HB3 HIS 73 25.615 4.692 8.886 627 HD1 HIS 73 HD1 HIS 73 26.981 6.726 8.334 628 HD2 HIS 73 HD2 HIS 73 23.040 7.021 7.019 629 HE1 HIS 73 HE1 HIS 73 26.721 9.077 7.476 630 HE2 HIS 73 HE2 HIS 73 24.385 9.181 6.530 631 H HIS 74 H HIS 74 25.343 1.842 8.298 632 HA HIS 74 HA HIS 74 27.958 1.556 6.981 633 HB2 HIS 74 HB2 HIS 74 27.110 0.684 9.752 634 HB3 HIS 74 HB3 HIS 74 28.590 0.132 8.975 635 HD1 HIS 74 HD1 HIS 74 30.419 2.015 8.487 636 HD2 HIS 74 HD2 HIS 74 27.276 3.137 10.974 637 HE1 HIS 74 HE1 HIS 74 31.174 4.121 9.632 638 HE2 HIS 74 HE2 HIS 74 29.323 4.698 11.241 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -15.803 7.153 -16.238 2 H2 MET 1 H2 MET 1 -16.056 7.874 -17.751 3 H3 MET 1 H3 MET 1 -15.493 6.281 -17.657 4 HA MET 1 HA MET 1 -18.124 7.202 -16.682 5 HB2 MET 1 HB2 MET 1 -17.383 5.699 -19.200 6 HB3 MET 1 HB3 MET 1 -19.027 5.876 -18.602 7 HG2 MET 1 HG2 MET 1 -18.849 8.302 -18.842 8 HG3 MET 1 HG3 MET 1 -17.204 8.115 -19.450 9 HE1 MET 1 HE1 MET 1 -17.911 9.572 -21.574 10 HE2 MET 1 HE2 MET 1 -19.566 9.691 -20.976 11 HE3 MET 1 HE3 MET 1 -19.263 9.165 -22.631 12 H ASN 2 H ASN 2 -16.098 4.407 -17.604 13 HA ASN 2 HA ASN 2 -17.783 2.611 -16.113 14 HB2 ASN 2 HB2 ASN 2 -15.234 2.232 -17.663 15 HB3 ASN 2 HB3 ASN 2 -15.905 0.941 -16.670 16 HD21 ASN 2 HD21 ASN 2 -17.819 -0.045 -17.280 17 HD22 ASN 2 HD22 ASN 2 -18.501 0.161 -18.860 18 H GLN 3 H GLN 3 -17.612 3.746 -14.130 19 HA GLN 3 HA GLN 3 -15.920 2.300 -12.354 20 HB2 GLN 3 HB2 GLN 3 -14.381 4.163 -13.059 21 HB3 GLN 3 HB3 GLN 3 -15.548 5.308 -12.411 22 HG2 GLN 3 HG2 GLN 3 -15.261 4.387 -10.192 23 HG3 GLN 3 HG3 GLN 3 -14.152 3.170 -10.817 24 HE21 GLN 3 HE21 GLN 3 -12.875 5.068 -12.658 25 HE22 GLN 3 HE22 GLN 3 -11.859 6.058 -11.663 26 H ASN 4 H ASN 4 -17.960 1.651 -11.687 27 HA ASN 4 HA ASN 4 -19.604 3.725 -10.378 28 HB2 ASN 4 HB2 ASN 4 -21.613 2.637 -11.225 29 HB3 ASN 4 HB3 ASN 4 -20.555 3.073 -12.565 30 HD21 ASN 4 HD21 ASN 4 -22.152 0.558 -10.909 31 HD22 ASN 4 HD22 ASN 4 -21.602 -0.750 -11.907 32 H LEU 5 H LEU 5 -17.850 0.986 -9.907 33 HA LEU 5 HA LEU 5 -19.586 -0.407 -8.106 34 HB2 LEU 5 HB2 LEU 5 -16.603 -0.586 -8.529 35 HB3 LEU 5 HB3 LEU 5 -17.510 -1.644 -7.467 36 HG LEU 5 HG LEU 5 -17.840 -1.435 -10.461 37 HD11 LEU 5 HD11 LEU 5 -16.950 -3.725 -10.452 38 HD12 LEU 5 HD12 LEU 5 -16.666 -3.595 -8.716 39 HD13 LEU 5 HD13 LEU 5 -15.788 -2.552 -9.836 40 HD21 LEU 5 HD21 LEU 5 -19.355 -3.348 -10.212 41 HD22 LEU 5 HD22 LEU 5 -19.964 -1.920 -9.379 42 HD23 LEU 5 HD23 LEU 5 -19.217 -3.224 -8.458 43 H GLN 6 H GLN 6 -16.981 1.925 -7.788 44 HA GLN 6 HA GLN 6 -16.293 3.285 -6.129 45 HB2 GLN 6 HB2 GLN 6 -18.947 2.525 -4.929 46 HB3 GLN 6 HB3 GLN 6 -17.842 3.656 -4.165 47 HG2 GLN 6 HG2 GLN 6 -17.951 5.071 -6.175 48 HG3 GLN 6 HG3 GLN 6 -19.134 3.958 -6.860 49 HE21 GLN 6 HE21 GLN 6 -20.678 5.583 -6.976 50 HE22 GLN 6 HE22 GLN 6 -21.509 6.164 -5.565 51 H GLY 7 H GLY 7 -15.028 3.227 -4.333 52 HA2 GLY 7 HA2 GLY 7 -14.010 2.404 -2.447 53 HA3 GLY 7 HA3 GLY 7 -15.341 1.269 -2.287 54 H GLU 8 H GLU 8 -13.228 1.507 -5.108 55 HA GLU 8 HA GLU 8 -12.636 -1.251 -5.064 56 HB2 GLU 8 HB2 GLU 8 -12.492 0.332 -7.060 57 HB3 GLU 8 HB3 GLU 8 -10.940 0.844 -6.421 58 HG2 GLU 8 HG2 GLU 8 -11.486 -2.045 -6.975 59 HG3 GLU 8 HG3 GLU 8 -11.022 -0.954 -8.266 60 H TRP 9 H TRP 9 -11.144 1.533 -3.600 61 HA TRP 9 HA TRP 9 -8.733 0.366 -2.769 62 HB2 TRP 9 HB2 TRP 9 -8.968 2.714 -2.514 63 HB3 TRP 9 HB3 TRP 9 -10.451 2.549 -1.592 64 HD1 TRP 9 HD1 TRP 9 -9.822 3.638 0.648 65 HE1 TRP 9 HE1 TRP 9 -8.046 3.199 2.458 66 HE3 TRP 9 HE3 TRP 9 -6.958 0.189 -1.823 67 HZ2 TRP 9 HZ2 TRP 9 -5.746 1.614 2.794 68 HZ3 TRP 9 HZ3 TRP 9 -4.986 -0.737 -0.681 69 HH2 TRP 9 HH2 TRP 9 -4.394 -0.041 1.578 70 H MET 10 H MET 10 -11.897 0.511 -1.168 71 HA MET 10 HA MET 10 -11.152 -0.903 1.145 72 HB2 MET 10 HB2 MET 10 -13.887 -0.842 -0.141 73 HB3 MET 10 HB3 MET 10 -13.523 -1.247 1.531 74 HG2 MET 10 HG2 MET 10 -13.297 1.429 0.185 75 HG3 MET 10 HG3 MET 10 -14.357 0.963 1.512 76 HE1 MET 10 HE1 MET 10 -13.468 0.451 4.002 77 HE2 MET 10 HE2 MET 10 -11.762 0.508 4.447 78 HE3 MET 10 HE3 MET 10 -12.342 -0.732 3.336 79 H LYS 11 H LYS 11 -12.089 -1.933 -2.029 80 HA LYS 11 HA LYS 11 -12.313 -4.724 -1.382 81 HB2 LYS 11 HB2 LYS 11 -13.514 -3.580 -3.264 82 HB3 LYS 11 HB3 LYS 11 -11.971 -3.373 -4.076 83 HG2 LYS 11 HG2 LYS 11 -13.008 -6.083 -3.322 84 HG3 LYS 11 HG3 LYS 11 -13.473 -5.290 -4.827 85 HD2 LYS 11 HD2 LYS 11 -10.673 -5.977 -3.951 86 HD3 LYS 11 HD3 LYS 11 -11.607 -6.795 -5.202 87 HE2 LYS 11 HE2 LYS 11 -11.553 -4.880 -6.599 88 HE3 LYS 11 HE3 LYS 11 -10.894 -3.880 -5.304 89 HZ1 LYS 11 HZ1 LYS 11 -9.547 -5.988 -6.868 90 HZ2 LYS 11 HZ2 LYS 11 -8.959 -5.524 -5.347 91 HZ3 LYS 11 HZ3 LYS 11 -9.066 -4.380 -6.601 92 H ASN 12 H ASN 12 -9.944 -2.693 -3.064 93 HA ASN 12 HA ASN 12 -7.943 -4.492 -3.706 94 HB2 ASN 12 HB2 ASN 12 -8.259 -1.825 -3.937 95 HB3 ASN 12 HB3 ASN 12 -7.118 -1.853 -2.603 96 HD21 ASN 12 HD21 ASN 12 -7.604 -2.206 -5.933 97 HD22 ASN 12 HD22 ASN 12 -5.965 -2.514 -6.378 98 H TYR 13 H TYR 13 -8.642 -2.934 -0.661 99 HA TYR 13 HA TYR 13 -6.324 -3.356 0.763 100 HB2 TYR 13 HB2 TYR 13 -8.379 -2.069 1.476 101 HB3 TYR 13 HB3 TYR 13 -9.108 -3.609 1.904 102 HD1 TYR 13 HD1 TYR 13 -6.323 -1.303 2.697 103 HD2 TYR 13 HD2 TYR 13 -8.609 -4.658 3.975 104 HE1 TYR 13 HE1 TYR 13 -5.315 -1.127 4.934 105 HE2 TYR 13 HE2 TYR 13 -7.596 -4.500 6.210 106 HH TYR 13 HH TYR 13 -5.593 -3.582 7.287 107 H GLU 14 H GLU 14 -8.966 -5.608 0.117 108 HA GLU 14 HA GLU 14 -8.206 -7.589 1.971 109 HB2 GLU 14 HB2 GLU 14 -9.797 -7.744 -0.585 110 HB3 GLU 14 HB3 GLU 14 -9.597 -9.103 0.513 111 HG2 GLU 14 HG2 GLU 14 -10.841 -6.457 1.227 112 HG3 GLU 14 HG3 GLU 14 -11.723 -7.932 0.830 113 H GLU 15 H GLU 15 -7.414 -7.148 -1.461 114 HA GLU 15 HA GLU 15 -5.953 -9.538 -1.779 115 HB2 GLU 15 HB2 GLU 15 -5.778 -6.902 -3.239 116 HB3 GLU 15 HB3 GLU 15 -4.825 -8.305 -3.691 117 HG2 GLU 15 HG2 GLU 15 -6.645 -8.304 -5.143 118 HG3 GLU 15 HG3 GLU 15 -7.021 -9.538 -3.943 119 H LEU 16 H LEU 16 -5.044 -6.340 -0.649 120 HA LEU 16 HA LEU 16 -2.217 -6.879 -0.792 121 HB2 LEU 16 HB2 LEU 16 -3.196 -4.617 -1.145 122 HB3 LEU 16 HB3 LEU 16 -3.707 -4.607 0.529 123 HG LEU 16 HG LEU 16 -1.298 -4.788 1.191 124 HD11 LEU 16 HD11 LEU 16 0.393 -4.232 -0.466 125 HD12 LEU 16 HD12 LEU 16 -0.835 -4.212 -1.730 126 HD13 LEU 16 HD13 LEU 16 -0.447 -5.720 -0.902 127 HD21 LEU 16 HD21 LEU 16 -2.473 -2.673 1.254 128 HD22 LEU 16 HD22 LEU 16 -2.125 -2.405 -0.453 129 HD23 LEU 16 HD23 LEU 16 -0.811 -2.432 0.723 130 H LYS 17 H LYS 17 -4.669 -6.453 1.658 131 HA LYS 17 HA LYS 17 -3.289 -6.752 4.006 132 HB2 LYS 17 HB2 LYS 17 -5.652 -6.208 3.804 133 HB3 LYS 17 HB3 LYS 17 -6.000 -7.817 3.214 134 HG2 LYS 17 HG2 LYS 17 -5.267 -8.719 5.389 135 HG3 LYS 17 HG3 LYS 17 -5.091 -7.058 5.968 136 HD2 LYS 17 HD2 LYS 17 -7.424 -6.625 5.620 137 HD3 LYS 17 HD3 LYS 17 -7.640 -8.182 4.819 138 HE2 LYS 17 HE2 LYS 17 -7.017 -9.292 6.957 139 HE3 LYS 17 HE3 LYS 17 -6.983 -7.701 7.722 140 HZ1 LYS 17 HZ1 LYS 17 -9.307 -7.415 7.197 141 HZ2 LYS 17 HZ2 LYS 17 -9.101 -8.855 8.058 142 HZ3 LYS 17 HZ3 LYS 17 -9.349 -8.901 6.381 143 H SER 18 H SER 18 -4.722 -9.296 2.008 144 HA SER 18 HA SER 18 -3.910 -11.418 3.710 145 HB2 SER 18 HB2 SER 18 -4.729 -11.554 0.796 146 HB3 SER 18 HB3 SER 18 -4.759 -12.873 1.964 147 HG SER 18 HG SER 18 -6.444 -10.634 1.738 148 H PHE 19 H PHE 19 -2.514 -9.888 0.842 149 HA PHE 19 HA PHE 19 -0.653 -12.051 0.430 150 HB2 PHE 19 HB2 PHE 19 -1.595 -10.447 -1.361 151 HB3 PHE 19 HB3 PHE 19 -0.352 -9.327 -0.805 152 HD1 PHE 19 HD2 PHE 19 -0.970 -12.581 -2.383 153 HD2 PHE 19 HD1 PHE 19 1.954 -9.689 -1.307 154 HE1 PHE 19 HE2 PHE 19 0.685 -13.742 -3.784 155 HE2 PHE 19 HE1 PHE 19 3.615 -10.846 -2.701 156 HZ PHE 19 HZ PHE 19 2.982 -12.877 -3.941 157 H VAL 20 H VAL 20 -0.422 -8.738 1.668 158 HA VAL 20 HA VAL 20 2.321 -8.754 2.228 159 HB VAL 20 HB VAL 20 0.063 -7.196 3.487 160 HG11 VAL 20 HG11 VAL 20 1.891 -7.368 5.091 161 HG12 VAL 20 HG12 VAL 20 1.776 -5.731 4.442 162 HG13 VAL 20 HG13 VAL 20 3.032 -6.826 3.860 163 HG21 VAL 20 HG21 VAL 20 0.499 -6.726 1.133 164 HG22 VAL 20 HG22 VAL 20 2.202 -6.443 1.498 165 HG23 VAL 20 HG23 VAL 20 0.970 -5.362 2.147 166 H ARG 21 H ARG 21 -0.427 -9.949 4.085 167 HA ARG 21 HA ARG 21 0.898 -10.446 6.494 168 HB2 ARG 21 HB2 ARG 21 -1.488 -10.657 6.390 169 HB3 ARG 21 HB3 ARG 21 -1.386 -11.911 5.165 170 HG2 ARG 21 HG2 ARG 21 -0.070 -12.440 7.768 171 HG3 ARG 21 HG3 ARG 21 -1.836 -12.444 7.723 172 HD2 ARG 21 HD2 ARG 21 -1.890 -14.175 6.124 173 HD3 ARG 21 HD3 ARG 21 -0.177 -13.998 5.757 174 HE ARG 21 HE ARG 21 0.192 -14.845 8.104 175 HH11 ARG 21 HH11 ARG 21 -2.744 -15.577 6.360 176 HH12 ARG 21 HH12 ARG 21 -2.925 -17.166 7.044 177 HH21 ARG 21 HH21 ARG 21 -0.024 -16.937 9.023 178 HH22 ARG 21 HH22 ARG 21 -1.373 -17.934 8.565 179 H LYS 22 H LYS 22 1.082 -12.076 3.443 180 HA LYS 22 HA LYS 22 2.340 -14.424 4.605 181 HB2 LYS 22 HB2 LYS 22 0.631 -14.612 2.799 182 HB3 LYS 22 HB3 LYS 22 1.753 -13.810 1.708 183 HG2 LYS 22 HG2 LYS 22 3.322 -15.631 1.918 184 HG3 LYS 22 HG3 LYS 22 2.292 -16.415 3.118 185 HD2 LYS 22 HD2 LYS 22 0.507 -16.594 1.423 186 HD3 LYS 22 HD3 LYS 22 1.598 -15.889 0.229 187 HE2 LYS 22 HE2 LYS 22 3.130 -17.765 0.508 188 HE3 LYS 22 HE3 LYS 22 2.072 -18.462 1.736 189 HZ1 LYS 22 HZ1 LYS 22 0.326 -18.612 0.026 190 HZ2 LYS 22 HZ2 LYS 22 1.690 -19.543 -0.353 191 HZ3 LYS 22 HZ3 LYS 22 1.426 -18.064 -1.139 192 H TYR 23 H TYR 23 3.180 -12.132 1.972 193 HA TYR 23 HA TYR 23 5.983 -12.963 2.311 194 HB2 TYR 23 HB2 TYR 23 4.522 -11.664 0.021 195 HB3 TYR 23 HB3 TYR 23 6.276 -11.770 0.077 196 HD1 TYR 23 HD1 TYR 23 7.364 -14.016 0.072 197 HD2 TYR 23 HD2 TYR 23 3.200 -13.527 -0.628 198 HE1 TYR 23 HE1 TYR 23 7.280 -16.252 -0.941 199 HE2 TYR 23 HE2 TYR 23 3.106 -15.764 -1.642 200 HH TYR 23 HH TYR 23 5.696 -18.004 -1.400 201 H ARG 24 H ARG 24 4.004 -10.483 3.244 202 HA ARG 24 HA ARG 24 4.321 -8.432 4.159 203 HB2 ARG 24 HB2 ARG 24 7.266 -9.081 3.929 204 HB3 ARG 24 HB3 ARG 24 6.596 -7.722 4.822 205 HG2 ARG 24 HG2 ARG 24 6.298 -10.652 5.421 206 HG3 ARG 24 HG3 ARG 24 7.054 -9.400 6.416 207 HD2 ARG 24 HD2 ARG 24 4.874 -8.312 6.673 208 HD3 ARG 24 HD3 ARG 24 4.132 -9.566 5.687 209 HE ARG 24 HE ARG 24 5.488 -10.704 7.903 210 HH11 ARG 24 HH11 ARG 24 2.579 -8.959 7.048 211 HH12 ARG 24 HH12 ARG 24 1.624 -9.663 8.318 212 HH21 ARG 24 HH21 ARG 24 4.241 -11.649 9.563 213 HH22 ARG 24 HH22 ARG 24 2.569 -11.193 9.748 214 H ARG 25 H ARG 25 5.014 -9.198 1.143 215 HA ARG 25 HA ARG 25 4.861 -6.587 0.045 216 HB2 ARG 25 HB2 ARG 25 7.520 -7.973 0.164 217 HB3 ARG 25 HB3 ARG 25 7.108 -7.069 -1.285 218 HG2 ARG 25 HG2 ARG 25 6.869 -5.042 0.002 219 HG3 ARG 25 HG3 ARG 25 7.143 -5.933 1.502 220 HD2 ARG 25 HD2 ARG 25 9.388 -6.372 0.951 221 HD3 ARG 25 HD3 ARG 25 9.144 -5.902 -0.729 222 HE ARG 25 HE ARG 25 8.562 -3.685 0.852 223 HH11 ARG 25 HH11 ARG 25 11.357 -5.691 0.151 224 HH12 ARG 25 HH12 ARG 25 12.488 -4.380 0.350 225 HH21 ARG 25 HH21 ARG 25 10.018 -1.982 1.065 226 HH22 ARG 25 HH22 ARG 25 11.724 -2.264 0.867 227 H PHE 26 H PHE 26 5.080 -6.782 -2.423 228 HA PHE 26 HA PHE 26 4.631 -9.534 -3.316 229 HB2 PHE 26 HB2 PHE 26 3.091 -8.594 -5.107 230 HB3 PHE 26 HB3 PHE 26 2.459 -8.617 -3.466 231 HD1 PHE 26 HD1 PHE 26 2.495 -6.442 -2.139 232 HD2 PHE 26 HD2 PHE 26 3.139 -6.617 -6.344 233 HE1 PHE 26 HE1 PHE 26 1.904 -4.062 -2.326 234 HE2 PHE 26 HE2 PHE 26 2.558 -4.233 -6.536 235 HZ PHE 26 HZ PHE 26 1.937 -2.955 -4.527 236 HA PRO 27 HA PRO 27 8.250 -7.872 -5.524 237 HB2 PRO 27 HB2 PRO 27 9.109 -10.666 -5.530 238 HB3 PRO 27 HB3 PRO 27 9.908 -9.256 -4.830 239 HG2 PRO 27 HG2 PRO 27 8.790 -11.195 -3.310 240 HG3 PRO 27 HG3 PRO 27 8.851 -9.497 -2.802 241 HD2 PRO 27 HD2 PRO 27 6.573 -11.045 -3.982 242 HD3 PRO 27 HD3 PRO 27 6.565 -9.865 -2.652 243 H LYS 28 H LYS 28 6.731 -11.028 -6.219 244 HA LYS 28 HA LYS 28 7.207 -10.530 -9.077 245 HB2 LYS 28 HB2 LYS 28 6.455 -13.116 -7.701 246 HB3 LYS 28 HB3 LYS 28 6.887 -12.925 -9.395 247 HG2 LYS 28 HG2 LYS 28 9.142 -12.276 -8.776 248 HG3 LYS 28 HG3 LYS 28 8.716 -12.379 -7.067 249 HD2 LYS 28 HD2 LYS 28 9.896 -14.377 -7.708 250 HD3 LYS 28 HD3 LYS 28 8.212 -14.782 -7.378 251 HE2 LYS 28 HE2 LYS 28 7.739 -14.755 -9.779 252 HE3 LYS 28 HE3 LYS 28 9.425 -14.351 -10.105 253 HZ1 LYS 28 HZ1 LYS 28 8.394 -16.858 -8.891 254 HZ2 LYS 28 HZ2 LYS 28 10.034 -16.460 -8.987 255 HZ3 LYS 28 HZ3 LYS 28 9.136 -16.685 -10.405 256 H SER 29 H SER 29 4.705 -11.370 -6.737 257 HA SER 29 HA SER 29 2.638 -11.497 -8.715 258 HB2 SER 29 HB2 SER 29 2.449 -11.356 -5.708 259 HB3 SER 29 HB3 SER 29 1.105 -11.695 -6.799 260 HG SER 29 HG SER 29 2.951 -13.372 -7.506 261 H THR 30 H THR 30 2.688 -9.540 -9.792 262 HA THR 30 HA THR 30 2.321 -7.086 -8.326 263 HB THR 30 HB THR 30 2.026 -6.170 -10.731 264 HG1 THR 30 HG1 THR 30 2.110 -7.615 -12.271 265 HG21 THR 30 HG21 THR 30 4.631 -7.446 -9.887 266 HG22 THR 30 HG22 THR 30 4.046 -5.862 -9.382 267 HG23 THR 30 HG23 THR 30 4.453 -6.154 -11.073 268 H GLU 31 H GLU 31 0.436 -8.910 -10.733 269 HA GLU 31 HA GLU 31 -1.780 -9.007 -11.211 270 HB2 GLU 31 HB2 GLU 31 -1.992 -9.534 -8.790 271 HB3 GLU 31 HB3 GLU 31 -2.175 -7.821 -8.449 272 HG2 GLU 31 HG2 GLU 31 -4.311 -9.012 -8.445 273 HG3 GLU 31 HG3 GLU 31 -4.252 -7.763 -9.688 274 H GLY 32 H GLY 32 -3.662 -7.630 -11.771 275 HA2 GLY 32 HA2 GLY 32 -2.801 -5.214 -12.944 276 HA3 GLY 32 HA3 GLY 32 -4.473 -5.733 -12.790 277 H ASN 33 H ASN 33 -4.906 -5.766 -10.155 278 HA ASN 33 HA ASN 33 -5.382 -3.043 -9.599 279 HB2 ASN 33 HB2 ASN 33 -5.586 -5.467 -7.796 280 HB3 ASN 33 HB3 ASN 33 -6.242 -3.877 -7.419 281 HD21 ASN 33 HD21 ASN 33 -8.120 -3.211 -8.385 282 HD22 ASN 33 HD22 ASN 33 -9.091 -4.251 -9.370 283 H LEU 34 H LEU 34 -3.235 -5.383 -7.966 284 HA LEU 34 HA LEU 34 -2.306 -3.438 -6.103 285 HB2 LEU 34 HB2 LEU 34 -1.257 -6.173 -6.801 286 HB3 LEU 34 HB3 LEU 34 -0.661 -5.191 -5.481 287 HG LEU 34 HG LEU 34 -3.531 -6.104 -5.687 288 HD11 LEU 34 HD11 LEU 34 -1.262 -7.333 -4.130 289 HD12 LEU 34 HD12 LEU 34 -2.085 -8.055 -5.511 290 HD13 LEU 34 HD13 LEU 34 -2.964 -7.782 -4.007 291 HD21 LEU 34 HD21 LEU 34 -3.588 -5.526 -3.310 292 HD22 LEU 34 HD22 LEU 34 -3.164 -4.127 -4.301 293 HD23 LEU 34 HD23 LEU 34 -1.912 -4.986 -3.401 294 H GLY 35 H GLY 35 -0.971 -4.816 -9.080 295 HA2 GLY 35 HA2 GLY 35 1.585 -3.690 -8.961 296 HA3 GLY 35 HA3 GLY 35 0.724 -4.082 -10.444 297 H GLY 36 H GLY 36 -1.422 -2.364 -10.253 298 HA2 GLY 36 HA2 GLY 36 -0.218 0.103 -11.092 299 HA3 GLY 36 HA3 GLY 36 -1.942 -0.235 -10.994 300 H TRP 37 H TRP 37 -1.976 -1.017 -8.276 301 HA TRP 37 HA TRP 37 -2.333 1.329 -6.835 302 HB2 TRP 37 HB2 TRP 37 -2.965 -1.130 -6.289 303 HB3 TRP 37 HB3 TRP 37 -1.372 -1.211 -5.544 304 HD1 TRP 37 HD1 TRP 37 -4.666 0.746 -5.258 305 HE1 TRP 37 HE1 TRP 37 -4.901 1.576 -2.854 306 HE3 TRP 37 HE3 TRP 37 -0.143 -0.778 -3.436 307 HZ2 TRP 37 HZ2 TRP 37 -3.372 1.566 -0.459 308 HZ3 TRP 37 HZ3 TRP 37 0.393 -0.333 -1.078 309 HH2 TRP 37 HH2 TRP 37 -1.189 0.817 0.376 310 H CYS 38 H CYS 38 0.423 -0.898 -6.812 311 HA CYS 38 HA CYS 38 2.091 0.600 -5.125 312 HB2 CYS 38 HB2 CYS 38 2.417 -1.791 -5.654 313 HB3 CYS 38 HB3 CYS 38 2.867 -1.357 -7.298 314 HG CYS 38 HG CYS 38 5.103 -2.098 -5.633 315 H HIS 39 H HIS 39 1.876 0.493 -8.681 316 HA HIS 39 HA HIS 39 4.084 2.098 -9.251 317 HB2 HIS 39 HB2 HIS 39 1.544 1.537 -10.754 318 HB3 HIS 39 HB3 HIS 39 2.734 2.666 -11.392 319 HD1 HIS 39 HD1 HIS 39 1.878 -0.323 -12.457 320 HD2 HIS 39 HD2 HIS 39 5.419 0.847 -10.611 321 HE1 HIS 39 HE1 HIS 39 3.600 -2.011 -13.156 322 HE2 HIS 39 HE2 HIS 39 5.772 -1.189 -12.170 323 H THR 40 H THR 40 0.712 3.060 -8.724 324 HA THR 40 HA THR 40 1.089 5.803 -9.230 325 HB THR 40 HB THR 40 -0.979 4.470 -7.471 326 HG1 THR 40 HG1 THR 40 -0.948 5.140 -10.251 327 HG21 THR 40 HG21 THR 40 -2.331 6.482 -7.940 328 HG22 THR 40 HG22 THR 40 -0.950 7.195 -8.774 329 HG23 THR 40 HG23 THR 40 -0.858 6.860 -7.046 330 H GLN 41 H GLN 41 1.182 3.951 -6.185 331 HA GLN 41 HA GLN 41 1.463 6.410 -4.701 332 HB2 GLN 41 HB2 GLN 41 1.010 3.567 -3.967 333 HB3 GLN 41 HB3 GLN 41 1.580 4.702 -2.744 334 HG2 GLN 41 HG2 GLN 41 -0.346 5.937 -2.786 335 HG3 GLN 41 HG3 GLN 41 -0.719 5.493 -4.449 336 HE21 GLN 41 HE21 GLN 41 -1.761 3.593 -4.872 337 HE22 GLN 41 HE22 GLN 41 -2.558 2.675 -3.646 338 H ARG 42 H ARG 42 3.609 3.854 -5.780 339 HA ARG 42 HA ARG 42 5.784 4.479 -4.091 340 HB2 ARG 42 HB2 ARG 42 5.692 2.482 -5.592 341 HB3 ARG 42 HB3 ARG 42 5.909 3.543 -6.974 342 HG2 ARG 42 HG2 ARG 42 7.926 3.565 -4.771 343 HG3 ARG 42 HG3 ARG 42 7.939 2.263 -5.958 344 HD2 ARG 42 HD2 ARG 42 7.920 5.152 -6.778 345 HD3 ARG 42 HD3 ARG 42 9.419 4.309 -6.394 346 HE ARG 42 HE ARG 42 9.077 2.908 -8.273 347 HH11 ARG 42 HH11 ARG 42 6.753 5.516 -8.040 348 HH12 ARG 42 HH12 ARG 42 6.255 5.395 -9.702 349 HH21 ARG 42 HH21 ARG 42 8.457 2.775 -10.464 350 HH22 ARG 42 HH22 ARG 42 7.210 3.827 -11.072 351 H LYS 43 H LYS 43 4.507 5.912 -6.994 352 HA LYS 43 HA LYS 43 6.531 7.781 -7.531 353 HB2 LYS 43 HB2 LYS 43 4.926 7.487 -9.210 354 HB3 LYS 43 HB3 LYS 43 3.584 7.651 -8.089 355 HG2 LYS 43 HG2 LYS 43 4.044 10.027 -7.875 356 HG3 LYS 43 HG3 LYS 43 5.410 9.865 -8.982 357 HD2 LYS 43 HD2 LYS 43 4.005 9.363 -10.802 358 HD3 LYS 43 HD3 LYS 43 2.620 9.053 -9.750 359 HE2 LYS 43 HE2 LYS 43 2.394 11.347 -9.222 360 HE3 LYS 43 HE3 LYS 43 3.951 11.734 -9.942 361 HZ1 LYS 43 HZ1 LYS 43 1.564 10.773 -11.426 362 HZ2 LYS 43 HZ2 LYS 43 3.050 11.210 -12.112 363 HZ3 LYS 43 HZ3 LYS 43 2.090 12.385 -11.363 364 H MET 44 H MET 44 3.536 8.119 -5.636 365 HA MET 44 HA MET 44 3.985 10.718 -4.698 366 HB2 MET 44 HB2 MET 44 2.572 8.602 -3.089 367 HB3 MET 44 HB3 MET 44 2.248 10.328 -3.139 368 HG2 MET 44 HG2 MET 44 1.666 8.290 -5.264 369 HG3 MET 44 HG3 MET 44 0.510 9.217 -4.310 370 HE1 MET 44 HE1 MET 44 0.825 8.805 -7.557 371 HE2 MET 44 HE2 MET 44 0.315 10.397 -8.124 372 HE3 MET 44 HE3 MET 44 -0.577 9.596 -6.830 373 H ARG 45 H ARG 45 5.058 7.602 -3.510 374 HA ARG 45 HA ARG 45 6.145 8.401 -1.036 375 HB2 ARG 45 HB2 ARG 45 5.786 6.038 -1.953 376 HB3 ARG 45 HB3 ARG 45 7.283 6.259 -2.840 377 HG2 ARG 45 HG2 ARG 45 7.120 6.509 0.152 378 HG3 ARG 45 HG3 ARG 45 7.415 4.975 -0.663 379 HD2 ARG 45 HD2 ARG 45 9.365 6.172 -1.813 380 HD3 ARG 45 HD3 ARG 45 9.146 7.432 -0.597 381 HE ARG 45 HE ARG 45 9.610 4.630 0.189 382 HH11 ARG 45 HH11 ARG 45 10.533 8.022 0.317 383 HH12 ARG 45 HH12 ARG 45 11.744 7.762 1.523 384 HH21 ARG 45 HH21 ARG 45 11.206 4.300 1.753 385 HH22 ARG 45 HH22 ARG 45 12.144 5.654 2.343 386 H LYS 46 H LYS 46 7.569 8.136 -4.255 387 HA LYS 46 HA LYS 46 10.155 9.065 -3.571 388 HB2 LYS 46 HB2 LYS 46 9.970 7.854 -5.580 389 HB3 LYS 46 HB3 LYS 46 8.616 8.823 -6.142 390 HG2 LYS 46 HG2 LYS 46 10.385 10.755 -6.088 391 HG3 LYS 46 HG3 LYS 46 11.526 9.412 -6.202 392 HD2 LYS 46 HD2 LYS 46 10.551 8.654 -8.231 393 HD3 LYS 46 HD3 LYS 46 9.186 9.759 -8.058 394 HE2 LYS 46 HE2 LYS 46 10.674 10.669 -9.677 395 HE3 LYS 46 HE3 LYS 46 10.780 11.652 -8.222 396 HZ1 LYS 46 HZ1 LYS 46 12.709 9.534 -9.012 397 HZ2 LYS 46 HZ2 LYS 46 12.811 10.497 -7.618 398 HZ3 LYS 46 HZ3 LYS 46 12.965 11.203 -9.149 399 H GLN 47 H GLN 47 7.394 10.682 -5.115 400 HA GLN 47 HA GLN 47 8.514 13.234 -5.303 401 HB2 GLN 47 HB2 GLN 47 5.659 12.305 -5.083 402 HB3 GLN 47 HB3 GLN 47 6.075 13.996 -5.306 403 HG2 GLN 47 HG2 GLN 47 7.222 13.420 -7.398 404 HG3 GLN 47 HG3 GLN 47 6.762 11.734 -7.168 405 HE21 GLN 47 HE21 GLN 47 4.142 12.396 -6.096 406 HE22 GLN 47 HE22 GLN 47 3.179 12.925 -7.430 407 H GLY 48 H GLY 48 6.976 11.629 -2.599 408 HA2 GLY 48 HA2 GLY 48 7.264 12.216 -0.349 409 HA3 GLY 48 HA3 GLY 48 7.869 13.786 -0.860 410 H LYS 49 H LYS 49 4.851 12.204 -1.799 411 HA LYS 49 HA LYS 49 3.369 14.236 -0.275 412 HB2 LYS 49 HB2 LYS 49 1.765 14.384 -2.188 413 HB3 LYS 49 HB3 LYS 49 3.343 15.091 -2.479 414 HG2 LYS 49 HG2 LYS 49 3.976 13.387 -3.933 415 HG3 LYS 49 HG3 LYS 49 2.713 12.302 -3.349 416 HD2 LYS 49 HD2 LYS 49 2.102 14.887 -4.761 417 HD3 LYS 49 HD3 LYS 49 2.333 13.366 -5.625 418 HE2 LYS 49 HE2 LYS 49 0.527 12.361 -4.281 419 HE3 LYS 49 HE3 LYS 49 0.275 13.914 -3.488 420 HZ1 LYS 49 HZ1 LYS 49 0.087 13.610 -6.427 421 HZ2 LYS 49 HZ2 LYS 49 -0.520 14.866 -5.456 422 HZ3 LYS 49 HZ3 LYS 49 -1.238 13.333 -5.410 423 H LEU 50 H LEU 50 3.951 11.165 -0.411 424 HA LEU 50 HA LEU 50 1.428 9.896 -0.522 425 HB2 LEU 50 HB2 LEU 50 4.131 9.204 0.316 426 HB3 LEU 50 HB3 LEU 50 2.924 8.475 1.352 427 HG LEU 50 HG LEU 50 3.266 8.087 -1.617 428 HD11 LEU 50 HD11 LEU 50 4.810 6.845 -0.208 429 HD12 LEU 50 HD12 LEU 50 3.645 5.762 -0.967 430 HD13 LEU 50 HD13 LEU 50 3.459 6.205 0.731 431 HD21 LEU 50 HD21 LEU 50 1.381 6.551 -1.514 432 HD22 LEU 50 HD22 LEU 50 0.879 8.187 -1.085 433 HD23 LEU 50 HD23 LEU 50 1.111 6.975 0.177 434 HA PRO 51 HA PRO 51 -0.321 11.269 3.372 435 HB2 PRO 51 HB2 PRO 51 -1.919 8.802 3.275 436 HB3 PRO 51 HB3 PRO 51 -2.453 10.485 3.258 437 HG2 PRO 51 HG2 PRO 51 -2.604 8.916 1.077 438 HG3 PRO 51 HG3 PRO 51 -2.274 10.654 0.968 439 HD2 PRO 51 HD2 PRO 51 -0.376 8.349 0.763 440 HD3 PRO 51 HD3 PRO 51 -0.426 9.858 -0.165 441 H ASN 52 H ASN 52 0.311 10.953 5.363 442 HA ASN 52 HA ASN 52 2.068 8.922 6.168 443 HB2 ASN 52 HB2 ASN 52 1.696 11.222 7.243 444 HB3 ASN 52 HB3 ASN 52 0.322 10.491 8.070 445 HD21 ASN 52 HD21 ASN 52 3.757 10.646 7.804 446 HD22 ASN 52 HD22 ASN 52 4.127 9.718 9.213 447 H ASP 53 H ASP 53 -1.417 9.306 6.557 448 HA ASP 53 HA ASP 53 -1.989 7.070 8.124 449 HB2 ASP 53 HB2 ASP 53 -3.573 8.397 5.919 450 HB3 ASP 53 HB3 ASP 53 -4.212 7.065 6.871 451 H ARG 54 H ARG 54 -1.581 7.368 4.642 452 HA ARG 54 HA ARG 54 -2.329 4.754 3.933 453 HB2 ARG 54 HB2 ARG 54 -2.207 6.553 2.306 454 HB3 ARG 54 HB3 ARG 54 -0.482 6.729 2.581 455 HG2 ARG 54 HG2 ARG 54 -0.923 5.573 0.502 456 HG3 ARG 54 HG3 ARG 54 -0.102 4.510 1.647 457 HD2 ARG 54 HD2 ARG 54 -2.018 3.487 0.384 458 HD3 ARG 54 HD3 ARG 54 -2.092 3.338 2.136 459 HE ARG 54 HE ARG 54 -3.710 5.192 2.117 460 HH11 ARG 54 HH11 ARG 54 -3.144 3.551 -0.921 461 HH12 ARG 54 HH12 ARG 54 -4.743 3.871 -1.537 462 HH21 ARG 54 HH21 ARG 54 -5.779 5.648 1.311 463 HH22 ARG 54 HH22 ARG 54 -6.234 5.107 -0.279 464 H ARG 55 H ARG 55 0.854 6.208 4.424 465 HA ARG 55 HA ARG 55 2.493 4.004 4.174 466 HB2 ARG 55 HB2 ARG 55 3.154 6.417 4.565 467 HB3 ARG 55 HB3 ARG 55 2.815 6.168 6.267 468 HG2 ARG 55 HG2 ARG 55 4.816 4.497 4.775 469 HG3 ARG 55 HG3 ARG 55 5.241 6.040 5.514 470 HD2 ARG 55 HD2 ARG 55 4.295 5.090 7.673 471 HD3 ARG 55 HD3 ARG 55 4.279 3.527 6.861 472 HE ARG 55 HE ARG 55 6.837 4.752 6.661 473 HH11 ARG 55 HH11 ARG 55 4.764 2.990 8.892 474 HH12 ARG 55 HH12 ARG 55 6.099 2.446 9.865 475 HH21 ARG 55 HH21 ARG 55 8.563 4.012 7.940 476 HH22 ARG 55 HH22 ARG 55 8.242 3.000 9.322 477 H LEU 56 H LEU 56 0.678 5.077 7.028 478 HA LEU 56 HA LEU 56 1.612 3.078 8.785 479 HB2 LEU 56 HB2 LEU 56 -0.565 5.060 8.783 480 HB3 LEU 56 HB3 LEU 56 -0.845 3.644 9.778 481 HG LEU 56 HG LEU 56 1.199 4.079 11.031 482 HD11 LEU 56 HD11 LEU 56 1.478 6.491 9.247 483 HD12 LEU 56 HD12 LEU 56 2.548 5.090 9.292 484 HD13 LEU 56 HD13 LEU 56 2.443 6.167 10.684 485 HD21 LEU 56 HD21 LEU 56 -0.892 5.096 11.778 486 HD22 LEU 56 HD22 LEU 56 -0.548 6.524 10.800 487 HD23 LEU 56 HD23 LEU 56 0.496 6.116 12.164 488 H LEU 57 H LEU 57 -1.221 3.220 6.663 489 HA LEU 57 HA LEU 57 -2.521 0.903 7.446 490 HB2 LEU 57 HB2 LEU 57 -2.205 1.933 4.625 491 HB3 LEU 57 HB3 LEU 57 -3.419 0.789 5.163 492 HG LEU 57 HG LEU 57 -3.197 3.655 6.089 493 HD11 LEU 57 HD11 LEU 57 -5.147 2.346 4.199 494 HD12 LEU 57 HD12 LEU 57 -3.887 3.501 3.759 495 HD13 LEU 57 HD13 LEU 57 -5.232 4.008 4.785 496 HD21 LEU 57 HD21 LEU 57 -4.138 2.200 7.795 497 HD22 LEU 57 HD22 LEU 57 -5.294 1.556 6.625 498 HD23 LEU 57 HD23 LEU 57 -5.380 3.249 7.111 499 H LEU 58 H LEU 58 0.236 1.293 5.304 500 HA LEU 58 HA LEU 58 0.372 -1.415 4.488 501 HB2 LEU 58 HB2 LEU 58 2.249 0.905 4.375 502 HB3 LEU 58 HB3 LEU 58 2.861 -0.701 4.038 503 HG LEU 58 HG LEU 58 2.341 0.402 1.967 504 HD11 LEU 58 HD11 LEU 58 0.732 -1.178 1.002 505 HD12 LEU 58 HD12 LEU 58 0.291 -1.699 2.628 506 HD13 LEU 58 HD13 LEU 58 1.927 -1.975 2.027 507 HD21 LEU 58 HD21 LEU 58 0.063 1.111 1.407 508 HD22 LEU 58 HD22 LEU 58 0.730 2.031 2.756 509 HD23 LEU 58 HD23 LEU 58 -0.444 0.751 3.057 510 H ASP 59 H ASP 59 2.147 0.393 7.032 511 HA ASP 59 HA ASP 59 3.653 -1.944 7.700 512 HB2 ASP 59 HB2 ASP 59 4.703 -0.691 9.419 513 HB3 ASP 59 HB3 ASP 59 4.503 0.389 8.051 514 H LYS 60 H LYS 60 0.587 -0.701 8.654 515 HA LYS 60 HA LYS 60 0.242 -2.113 11.055 516 HB2 LYS 60 HB2 LYS 60 -1.568 -0.947 8.986 517 HB3 LYS 60 HB3 LYS 60 -2.239 -1.982 10.230 518 HG2 LYS 60 HG2 LYS 60 -1.349 -0.535 11.956 519 HG3 LYS 60 HG3 LYS 60 -0.618 0.495 10.727 520 HD2 LYS 60 HD2 LYS 60 -2.854 1.006 9.846 521 HD3 LYS 60 HD3 LYS 60 -3.564 -0.005 11.110 522 HE2 LYS 60 HE2 LYS 60 -2.454 1.445 12.797 523 HE3 LYS 60 HE3 LYS 60 -1.940 2.505 11.490 524 HZ1 LYS 60 HZ1 LYS 60 -4.758 1.884 12.205 525 HZ2 LYS 60 HZ2 LYS 60 -4.263 2.905 10.947 526 HZ3 LYS 60 HZ3 LYS 60 -3.938 3.326 12.554 527 H ILE 61 H ILE 61 -0.385 -3.020 7.675 528 HA ILE 61 HA ILE 61 -1.197 -5.684 8.479 529 HB ILE 61 HB ILE 61 -1.296 -6.174 6.038 530 HG12 ILE 61 HG12 ILE 61 -0.652 -3.233 5.751 531 HG13 ILE 61 HG13 ILE 61 0.412 -4.558 5.293 532 HG21 ILE 61 HG21 ILE 61 -3.281 -4.811 5.632 533 HG22 ILE 61 HG22 ILE 61 -2.828 -3.752 6.965 534 HG23 ILE 61 HG23 ILE 61 -3.253 -5.436 7.281 535 HD11 ILE 61 HD11 ILE 61 -2.274 -3.937 4.086 536 HD12 ILE 61 HD12 ILE 61 -1.226 -5.281 3.629 537 HD13 ILE 61 HD13 ILE 61 -0.699 -3.619 3.360 538 H GLY 62 H GLY 62 1.712 -4.158 8.192 539 HA2 GLY 62 HA2 GLY 62 3.684 -5.283 8.875 540 HA3 GLY 62 HA3 GLY 62 3.033 -6.771 8.214 541 H PHE 63 H PHE 63 2.882 -3.910 6.266 542 HA PHE 63 HA PHE 63 4.580 -5.108 4.286 543 HB2 PHE 63 HB2 PHE 63 2.620 -3.718 3.686 544 HB3 PHE 63 HB3 PHE 63 3.417 -2.315 4.388 545 HD1 PHE 63 HD1 PHE 63 3.511 -4.755 1.629 546 HD2 PHE 63 HD2 PHE 63 5.086 -1.122 3.191 547 HE1 PHE 63 HE1 PHE 63 4.561 -4.280 -0.544 548 HE2 PHE 63 HE2 PHE 63 6.139 -0.644 1.021 549 HZ PHE 63 HZ PHE 63 5.878 -2.219 -0.851 550 H VAL 64 H VAL 64 6.616 -4.745 3.844 551 HA VAL 64 HA VAL 64 8.163 -3.228 5.779 552 HB VAL 64 HB VAL 64 8.963 -5.194 3.632 553 HG11 VAL 64 HG11 VAL 64 10.733 -3.540 3.948 554 HG12 VAL 64 HG12 VAL 64 11.213 -5.110 4.592 555 HG13 VAL 64 HG13 VAL 64 10.699 -3.828 5.687 556 HG21 VAL 64 HG21 VAL 64 9.536 -6.628 5.551 557 HG22 VAL 64 HG22 VAL 64 7.822 -6.209 5.510 558 HG23 VAL 64 HG23 VAL 64 8.904 -5.392 6.637 559 H TRP 65 H TRP 65 9.047 -1.329 5.366 560 HA TRP 65 HA TRP 65 8.934 -0.249 2.631 561 HB2 TRP 65 HB2 TRP 65 9.248 1.107 5.323 562 HB3 TRP 65 HB3 TRP 65 9.333 1.954 3.785 563 HD1 TRP 65 HD1 TRP 65 6.841 0.349 6.190 564 HE1 TRP 65 HE1 TRP 65 4.461 1.046 5.496 565 HE3 TRP 65 HE3 TRP 65 7.917 2.611 1.724 566 HZ2 TRP 65 HZ2 TRP 65 3.212 2.368 3.346 567 HZ3 TRP 65 HZ3 TRP 65 6.065 3.564 0.411 568 HH2 TRP 65 HH2 TRP 65 3.761 3.443 1.209 569 H SER 66 H SER 66 10.946 -2.125 3.812 570 HA SER 66 HA SER 66 13.159 -2.543 3.736 571 HB2 SER 66 HB2 SER 66 13.377 0.191 2.452 572 HB3 SER 66 HB3 SER 66 14.704 -0.956 2.609 573 HG SER 66 HG SER 66 13.750 -2.301 1.182 574 H LEU 67 H LEU 67 15.296 -1.699 4.650 575 HA LEU 67 HA LEU 67 14.705 -0.852 7.327 576 HB2 LEU 67 HB2 LEU 67 17.344 -1.032 7.400 577 HB3 LEU 67 HB3 LEU 67 16.306 -2.442 7.446 578 HG LEU 67 HG LEU 67 16.625 -2.542 4.902 579 HD11 LEU 67 HD11 LEU 67 17.589 -0.349 4.545 580 HD12 LEU 67 HD12 LEU 67 18.747 -1.602 4.092 581 HD13 LEU 67 HD13 LEU 67 18.932 -0.741 5.620 582 HD21 LEU 67 HD21 LEU 67 18.662 -3.820 5.167 583 HD22 LEU 67 HD22 LEU 67 17.558 -4.110 6.516 584 HD23 LEU 67 HD23 LEU 67 18.954 -3.054 6.727 585 H GLU 68 H GLU 68 13.929 1.235 6.110 586 HA GLU 68 HA GLU 68 15.976 3.186 5.639 587 HB2 GLU 68 HB2 GLU 68 13.827 3.341 4.480 588 HB3 GLU 68 HB3 GLU 68 13.007 3.577 6.018 589 HG2 GLU 68 HG2 GLU 68 14.063 5.683 6.350 590 HG3 GLU 68 HG3 GLU 68 15.136 5.425 4.978 591 H HIS 69 H HIS 69 17.186 3.122 7.507 592 HA HIS 69 HA HIS 69 16.095 4.813 9.638 593 HB2 HIS 69 HB2 HIS 69 17.763 2.317 10.040 594 HB3 HIS 69 HB3 HIS 69 17.442 3.503 11.299 595 HD1 HIS 69 HD1 HIS 69 16.272 0.355 10.182 596 HD2 HIS 69 HD2 HIS 69 14.433 3.814 11.576 597 HE1 HIS 69 HE1 HIS 69 13.964 -0.345 10.913 598 HE2 HIS 69 HE2 HIS 69 12.962 1.727 11.948 599 H HIS 70 H HIS 70 17.495 6.384 10.321 600 HA HIS 70 HA HIS 70 19.639 6.945 8.515 601 HB2 HIS 70 HB2 HIS 70 18.587 8.412 10.928 602 HB3 HIS 70 HB3 HIS 70 19.960 8.987 9.986 603 HD1 HIS 70 HD1 HIS 70 16.786 10.039 10.308 604 HD2 HIS 70 HD2 HIS 70 18.802 8.551 6.991 605 HE1 HIS 70 HE1 HIS 70 15.517 10.885 8.304 606 HE2 HIS 70 HE2 HIS 70 16.661 9.835 6.318 607 H HIS 71 H HIS 71 21.661 6.468 8.669 608 HA HIS 71 HA HIS 71 22.783 4.986 10.793 609 HB2 HIS 71 HB2 HIS 71 24.964 5.435 9.607 610 HB3 HIS 71 HB3 HIS 71 23.709 4.720 8.602 611 HD1 HIS 71 HD1 HIS 71 23.123 5.932 6.491 612 HD2 HIS 71 HD2 HIS 71 25.358 8.279 9.097 613 HE1 HIS 71 HE1 HIS 71 23.649 8.041 5.227 614 HE2 HIS 71 HE2 HIS 71 24.780 9.532 6.910 615 H HIS 72 H HIS 72 24.416 5.571 12.284 616 HA HIS 72 HA HIS 72 24.284 8.408 13.058 617 HB2 HIS 72 HB2 HIS 72 23.594 6.257 14.563 618 HB3 HIS 72 HB3 HIS 72 25.290 6.413 15.003 619 HD1 HIS 72 HD1 HIS 72 21.979 8.042 15.370 620 HD2 HIS 72 HD2 HIS 72 25.927 8.776 16.458 621 HE1 HIS 72 HE1 HIS 72 21.881 9.878 17.088 622 HE2 HIS 72 HE2 HIS 72 24.269 10.243 17.806 623 H HIS 73 H HIS 73 26.183 9.519 13.523 624 HA HIS 73 HA HIS 73 28.528 8.633 12.186 625 HB2 HIS 73 HB2 HIS 73 27.890 11.040 12.560 626 HB3 HIS 73 HB3 HIS 73 28.343 10.839 14.248 627 HD1 HIS 73 HD1 HIS 73 29.767 11.331 10.849 628 HD2 HIS 73 HD2 HIS 73 31.141 10.576 14.706 629 HE1 HIS 73 HE1 HIS 73 32.243 11.774 10.789 630 HE2 HIS 73 HE2 HIS 73 33.075 11.230 13.106 631 H HIS 74 H HIS 74 27.819 9.084 15.643 632 HA HIS 74 HA HIS 74 29.285 6.713 16.329 633 HB2 HIS 74 HB2 HIS 74 31.120 8.357 16.127 634 HB3 HIS 74 HB3 HIS 74 30.297 9.410 17.273 635 HD1 HIS 74 HD1 HIS 74 30.830 9.081 19.680 636 HD2 HIS 74 HD2 HIS 74 32.020 5.849 17.346 637 HE1 HIS 74 HE1 HIS 74 32.156 7.592 21.213 638 HE2 HIS 74 HE2 HIS 74 32.753 5.577 19.817 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -21.864 -10.926 -2.514 2 H2 MET 1 H2 MET 1 -21.584 -10.075 -3.952 3 H3 MET 1 H3 MET 1 -20.337 -10.976 -3.247 4 HA MET 1 HA MET 1 -21.494 -13.023 -3.656 5 HB2 MET 1 HB2 MET 1 -23.566 -11.242 -4.955 6 HB3 MET 1 HB3 MET 1 -23.538 -12.994 -5.070 7 HG2 MET 1 HG2 MET 1 -23.886 -13.181 -2.676 8 HG3 MET 1 HG3 MET 1 -23.846 -11.424 -2.521 9 HE1 MET 1 HE1 MET 1 -25.797 -14.510 -3.945 10 HE2 MET 1 HE2 MET 1 -25.521 -13.547 -5.396 11 HE3 MET 1 HE3 MET 1 -27.156 -13.739 -4.763 12 H ASN 2 H ASN 2 -21.977 -10.476 -6.127 13 HA ASN 2 HA ASN 2 -19.960 -11.842 -7.782 14 HB2 ASN 2 HB2 ASN 2 -21.287 -11.591 -9.768 15 HB3 ASN 2 HB3 ASN 2 -22.288 -12.385 -8.560 16 HD21 ASN 2 HD21 ASN 2 -22.911 -10.721 -10.963 17 HD22 ASN 2 HD22 ASN 2 -23.982 -9.491 -10.371 18 H GLN 3 H GLN 3 -19.854 -10.190 -9.918 19 HA GLN 3 HA GLN 3 -18.677 -7.816 -8.789 20 HB2 GLN 3 HB2 GLN 3 -18.076 -7.311 -11.176 21 HB3 GLN 3 HB3 GLN 3 -17.445 -8.830 -10.553 22 HG2 GLN 3 HG2 GLN 3 -19.354 -9.988 -11.670 23 HG3 GLN 3 HG3 GLN 3 -19.782 -8.445 -12.409 24 HE21 GLN 3 HE21 GLN 3 -17.495 -11.051 -12.329 25 HE22 GLN 3 HE22 GLN 3 -16.648 -10.624 -13.781 26 H ASN 4 H ASN 4 -20.481 -6.821 -7.922 27 HA ASN 4 HA ASN 4 -22.490 -5.736 -9.777 28 HB2 ASN 4 HB2 ASN 4 -23.750 -5.178 -7.754 29 HB3 ASN 4 HB3 ASN 4 -23.288 -6.878 -7.730 30 HD21 ASN 4 HD21 ASN 4 -23.919 -4.896 -5.600 31 HD22 ASN 4 HD22 ASN 4 -22.584 -4.984 -4.504 32 H LEU 5 H LEU 5 -19.624 -4.914 -9.215 33 HA LEU 5 HA LEU 5 -18.387 -3.022 -9.290 34 HB2 LEU 5 HB2 LEU 5 -21.036 -1.577 -9.181 35 HB3 LEU 5 HB3 LEU 5 -19.482 -0.791 -9.382 36 HG LEU 5 HG LEU 5 -20.725 -2.752 -11.312 37 HD11 LEU 5 HD11 LEU 5 -20.968 -0.845 -12.790 38 HD12 LEU 5 HD12 LEU 5 -20.294 0.219 -11.555 39 HD13 LEU 5 HD13 LEU 5 -21.845 -0.575 -11.283 40 HD21 LEU 5 HD21 LEU 5 -18.178 -1.153 -11.540 41 HD22 LEU 5 HD22 LEU 5 -18.872 -2.189 -12.789 42 HD23 LEU 5 HD23 LEU 5 -18.282 -2.895 -11.284 43 H GLN 6 H GLN 6 -17.279 -3.190 -7.489 44 HA GLN 6 HA GLN 6 -18.609 -2.654 -4.925 45 HB2 GLN 6 HB2 GLN 6 -16.970 -4.061 -3.920 46 HB3 GLN 6 HB3 GLN 6 -17.485 -4.892 -5.383 47 HG2 GLN 6 HG2 GLN 6 -15.464 -3.718 -6.477 48 HG3 GLN 6 HG3 GLN 6 -14.910 -3.476 -4.824 49 HE21 GLN 6 HE21 GLN 6 -13.667 -4.991 -6.901 50 HE22 GLN 6 HE22 GLN 6 -13.578 -6.633 -6.351 51 H GLY 7 H GLY 7 -17.157 -1.634 -3.241 52 HA2 GLY 7 HA2 GLY 7 -15.750 0.655 -4.195 53 HA3 GLY 7 HA3 GLY 7 -15.715 0.030 -2.547 54 H GLU 8 H GLU 8 -14.144 0.082 -5.622 55 HA GLU 8 HA GLU 8 -12.575 -2.218 -5.398 56 HB2 GLU 8 HB2 GLU 8 -12.973 -0.782 -7.465 57 HB3 GLU 8 HB3 GLU 8 -11.699 0.266 -6.854 58 HG2 GLU 8 HG2 GLU 8 -10.697 -1.195 -8.417 59 HG3 GLU 8 HG3 GLU 8 -10.199 -1.740 -6.819 60 H TRP 9 H TRP 9 -11.961 1.099 -4.324 61 HA TRP 9 HA TRP 9 -9.323 0.752 -3.426 62 HB2 TRP 9 HB2 TRP 9 -10.186 2.965 -3.498 63 HB3 TRP 9 HB3 TRP 9 -11.570 2.545 -2.500 64 HD1 TRP 9 HD1 TRP 9 -11.256 4.094 -0.491 65 HE1 TRP 9 HE1 TRP 9 -9.433 4.435 1.293 66 HE3 TRP 9 HE3 TRP 9 -7.571 1.163 -2.517 67 HZ2 TRP 9 HZ2 TRP 9 -6.801 3.575 1.776 68 HZ3 TRP 9 HZ3 TRP 9 -5.429 0.969 -1.311 69 HH2 TRP 9 HH2 TRP 9 -5.060 2.160 0.785 70 H MET 10 H MET 10 -12.377 0.405 -1.616 71 HA MET 10 HA MET 10 -11.284 -0.479 0.794 72 HB2 MET 10 HB2 MET 10 -13.672 0.166 0.393 73 HB3 MET 10 HB3 MET 10 -13.908 -1.380 -0.399 74 HG2 MET 10 HG2 MET 10 -14.726 -1.715 1.745 75 HG3 MET 10 HG3 MET 10 -13.114 -2.424 1.793 76 HE1 MET 10 HE1 MET 10 -11.165 -1.589 3.258 77 HE2 MET 10 HE2 MET 10 -11.083 0.009 4.000 78 HE3 MET 10 HE3 MET 10 -11.056 -0.150 2.244 79 H LYS 11 H LYS 11 -12.106 -2.227 -2.137 80 HA LYS 11 HA LYS 11 -11.594 -4.805 -1.053 81 HB2 LYS 11 HB2 LYS 11 -13.075 -4.431 -2.990 82 HB3 LYS 11 HB3 LYS 11 -11.697 -3.908 -3.941 83 HG2 LYS 11 HG2 LYS 11 -11.709 -6.624 -2.700 84 HG3 LYS 11 HG3 LYS 11 -12.593 -6.325 -4.196 85 HD2 LYS 11 HD2 LYS 11 -9.661 -5.757 -3.764 86 HD3 LYS 11 HD3 LYS 11 -10.309 -7.171 -4.599 87 HE2 LYS 11 HE2 LYS 11 -11.294 -5.761 -6.295 88 HE3 LYS 11 HE3 LYS 11 -10.795 -4.315 -5.421 89 HZ1 LYS 11 HZ1 LYS 11 -8.835 -6.309 -6.404 90 HZ2 LYS 11 HZ2 LYS 11 -8.553 -4.707 -5.916 91 HZ3 LYS 11 HZ3 LYS 11 -9.374 -5.019 -7.362 92 H ASN 12 H ASN 12 -9.713 -2.596 -3.135 93 HA ASN 12 HA ASN 12 -7.438 -4.175 -3.457 94 HB2 ASN 12 HB2 ASN 12 -7.810 -1.187 -3.379 95 HB3 ASN 12 HB3 ASN 12 -6.223 -1.903 -3.608 96 HD21 ASN 12 HD21 ASN 12 -7.609 -0.219 -5.441 97 HD22 ASN 12 HD22 ASN 12 -7.875 -1.139 -6.885 98 H TYR 13 H TYR 13 -8.392 -2.078 -0.810 99 HA TYR 13 HA TYR 13 -6.025 -2.158 0.680 100 HB2 TYR 13 HB2 TYR 13 -7.941 -0.672 1.164 101 HB3 TYR 13 HB3 TYR 13 -8.883 -2.065 1.681 102 HD1 TYR 13 HD1 TYR 13 -5.466 -0.718 2.421 103 HD2 TYR 13 HD2 TYR 13 -9.149 -2.191 3.952 104 HE1 TYR 13 HE1 TYR 13 -4.628 -0.413 4.715 105 HE2 TYR 13 HE2 TYR 13 -8.326 -1.889 6.245 106 HH TYR 13 HH TYR 13 -6.214 -1.743 7.433 107 H GLU 14 H GLU 14 -8.890 -4.263 0.844 108 HA GLU 14 HA GLU 14 -7.831 -6.120 2.682 109 HB2 GLU 14 HB2 GLU 14 -9.943 -6.462 0.543 110 HB3 GLU 14 HB3 GLU 14 -9.604 -7.644 1.798 111 HG2 GLU 14 HG2 GLU 14 -10.354 -4.824 2.464 112 HG3 GLU 14 HG3 GLU 14 -11.572 -6.054 2.131 113 H GLU 15 H GLU 15 -7.743 -5.933 -0.829 114 HA GLU 15 HA GLU 15 -6.666 -8.463 -1.391 115 HB2 GLU 15 HB2 GLU 15 -7.702 -6.806 -3.017 116 HB3 GLU 15 HB3 GLU 15 -6.180 -5.931 -2.974 117 HG2 GLU 15 HG2 GLU 15 -5.016 -7.819 -3.926 118 HG3 GLU 15 HG3 GLU 15 -6.479 -8.799 -3.843 119 H LEU 16 H LEU 16 -5.149 -5.392 -0.557 120 HA LEU 16 HA LEU 16 -2.491 -6.364 -0.967 121 HB2 LEU 16 HB2 LEU 16 -3.124 -3.972 -1.168 122 HB3 LEU 16 HB3 LEU 16 -3.392 -3.914 0.562 123 HG LEU 16 HG LEU 16 -0.716 -4.764 -0.486 124 HD11 LEU 16 HD11 LEU 16 0.019 -2.445 -0.459 125 HD12 LEU 16 HD12 LEU 16 -1.638 -1.918 -0.161 126 HD13 LEU 16 HD13 LEU 16 -1.222 -2.712 -1.681 127 HD21 LEU 16 HD21 LEU 16 0.061 -3.754 1.587 128 HD22 LEU 16 HD22 LEU 16 -1.178 -4.970 1.901 129 HD23 LEU 16 HD23 LEU 16 -1.587 -3.255 1.970 130 H LYS 17 H LYS 17 -4.548 -5.856 1.889 131 HA LYS 17 HA LYS 17 -2.711 -6.515 3.882 132 HB2 LYS 17 HB2 LYS 17 -5.671 -7.106 3.747 133 HB3 LYS 17 HB3 LYS 17 -4.697 -7.236 5.205 134 HG2 LYS 17 HG2 LYS 17 -4.368 -4.922 5.319 135 HG3 LYS 17 HG3 LYS 17 -4.911 -4.680 3.655 136 HD2 LYS 17 HD2 LYS 17 -6.631 -3.990 5.203 137 HD3 LYS 17 HD3 LYS 17 -7.160 -5.403 4.303 138 HE2 LYS 17 HE2 LYS 17 -6.620 -6.835 6.191 139 HE3 LYS 17 HE3 LYS 17 -6.023 -5.443 7.096 140 HZ1 LYS 17 HZ1 LYS 17 -8.221 -4.507 7.085 141 HZ2 LYS 17 HZ2 LYS 17 -8.291 -6.075 7.717 142 HZ3 LYS 17 HZ3 LYS 17 -8.813 -5.774 6.126 143 H SER 18 H SER 18 -5.096 -8.623 2.350 144 HA SER 18 HA SER 18 -4.206 -11.024 3.435 145 HB2 SER 18 HB2 SER 18 -5.389 -12.090 1.489 146 HB3 SER 18 HB3 SER 18 -6.356 -10.921 2.388 147 HG SER 18 HG SER 18 -6.062 -9.432 0.756 148 H PHE 19 H PHE 19 -2.986 -9.218 0.690 149 HA PHE 19 HA PHE 19 -1.353 -11.305 -0.347 150 HB2 PHE 19 HB2 PHE 19 -2.053 -9.212 -1.592 151 HB3 PHE 19 HB3 PHE 19 -0.866 -8.336 -0.630 152 HD1 PHE 19 HD1 PHE 19 1.547 -8.815 -0.907 153 HD2 PHE 19 HD2 PHE 19 -1.405 -10.597 -3.406 154 HE1 PHE 19 HE1 PHE 19 3.288 -9.413 -2.537 155 HE2 PHE 19 HE2 PHE 19 0.335 -11.199 -5.037 156 HZ PHE 19 HZ PHE 19 2.683 -10.607 -4.604 157 H VAL 20 H VAL 20 -0.646 -8.480 1.731 158 HA VAL 20 HA VAL 20 2.042 -9.108 2.203 159 HB VAL 20 HB VAL 20 0.094 -7.571 3.926 160 HG11 VAL 20 HG11 VAL 20 3.084 -7.826 4.253 161 HG12 VAL 20 HG12 VAL 20 1.866 -8.471 5.353 162 HG13 VAL 20 HG13 VAL 20 2.036 -6.728 5.149 163 HG21 VAL 20 HG21 VAL 20 1.338 -5.644 3.076 164 HG22 VAL 20 HG22 VAL 20 0.625 -6.580 1.763 165 HG23 VAL 20 HG23 VAL 20 2.348 -6.723 2.114 166 H ARG 21 H ARG 21 -0.864 -10.275 3.889 167 HA ARG 21 HA ARG 21 0.674 -11.617 5.904 168 HB2 ARG 21 HB2 ARG 21 -1.341 -12.406 6.766 169 HB3 ARG 21 HB3 ARG 21 -1.817 -10.892 6.004 170 HG2 ARG 21 HG2 ARG 21 -2.728 -12.049 4.121 171 HG3 ARG 21 HG3 ARG 21 -2.070 -13.586 4.685 172 HD2 ARG 21 HD2 ARG 21 -3.500 -13.244 6.765 173 HD3 ARG 21 HD3 ARG 21 -4.311 -11.966 5.857 174 HE ARG 21 HE ARG 21 -4.337 -14.180 4.214 175 HH11 ARG 21 HH11 ARG 21 -5.581 -13.369 7.387 176 HH12 ARG 21 HH12 ARG 21 -6.881 -14.513 7.307 177 HH21 ARG 21 HH21 ARG 21 -6.038 -15.690 4.116 178 HH22 ARG 21 HH22 ARG 21 -7.149 -15.827 5.449 179 H LYS 22 H LYS 22 -0.061 -12.287 2.655 180 HA LYS 22 HA LYS 22 0.038 -15.185 2.994 181 HB2 LYS 22 HB2 LYS 22 -1.649 -13.901 1.535 182 HB3 LYS 22 HB3 LYS 22 -0.321 -13.698 0.404 183 HG2 LYS 22 HG2 LYS 22 -0.138 -16.088 0.129 184 HG3 LYS 22 HG3 LYS 22 -1.379 -16.350 1.359 185 HD2 LYS 22 HD2 LYS 22 -2.933 -14.981 -0.074 186 HD3 LYS 22 HD3 LYS 22 -1.701 -15.043 -1.334 187 HE2 LYS 22 HE2 LYS 22 -3.025 -17.434 -0.064 188 HE3 LYS 22 HE3 LYS 22 -3.453 -16.748 -1.630 189 HZ1 LYS 22 HZ1 LYS 22 -0.876 -18.021 -0.882 190 HZ2 LYS 22 HZ2 LYS 22 -1.146 -17.218 -2.353 191 HZ3 LYS 22 HZ3 LYS 22 -2.036 -18.611 -1.972 192 H TYR 23 H TYR 23 1.768 -12.598 1.251 193 HA TYR 23 HA TYR 23 3.936 -14.543 0.756 194 HB2 TYR 23 HB2 TYR 23 3.236 -12.135 -0.937 195 HB3 TYR 23 HB3 TYR 23 4.474 -13.338 -1.285 196 HD1 TYR 23 HD1 TYR 23 3.726 -15.737 -1.712 197 HD2 TYR 23 HD2 TYR 23 1.032 -12.448 -1.636 198 HE1 TYR 23 HE1 TYR 23 2.052 -17.087 -2.909 199 HE2 TYR 23 HE2 TYR 23 -0.647 -13.783 -2.830 200 HH TYR 23 HH TYR 23 -0.793 -15.717 -4.262 201 H ARG 24 H ARG 24 3.053 -11.566 2.141 202 HA ARG 24 HA ARG 24 4.132 -9.988 3.323 203 HB2 ARG 24 HB2 ARG 24 6.206 -12.153 3.350 204 HB3 ARG 24 HB3 ARG 24 6.553 -10.574 4.051 205 HG2 ARG 24 HG2 ARG 24 4.168 -12.236 4.827 206 HG3 ARG 24 HG3 ARG 24 5.724 -12.308 5.662 207 HD2 ARG 24 HD2 ARG 24 4.290 -9.707 5.236 208 HD3 ARG 24 HD3 ARG 24 3.906 -10.741 6.607 209 HE ARG 24 HE ARG 24 6.721 -10.209 6.331 210 HH11 ARG 24 HH11 ARG 24 3.700 -8.992 7.634 211 HH12 ARG 24 HH12 ARG 24 4.467 -8.012 8.836 212 HH21 ARG 24 HH21 ARG 24 7.734 -8.927 7.918 213 HH22 ARG 24 HH22 ARG 24 6.771 -7.953 8.992 214 H ARG 25 H ARG 25 4.165 -8.345 1.972 215 HA ARG 25 HA ARG 25 5.050 -6.633 0.774 216 HB2 ARG 25 HB2 ARG 25 7.351 -7.904 1.869 217 HB3 ARG 25 HB3 ARG 25 7.709 -7.494 0.203 218 HG2 ARG 25 HG2 ARG 25 6.588 -5.501 2.148 219 HG3 ARG 25 HG3 ARG 25 8.320 -5.780 1.955 220 HD2 ARG 25 HD2 ARG 25 8.084 -5.261 -0.452 221 HD3 ARG 25 HD3 ARG 25 6.387 -4.880 -0.176 222 HE ARG 25 HE ARG 25 7.710 -3.302 1.605 223 HH11 ARG 25 HH11 ARG 25 7.951 -3.757 -1.859 224 HH12 ARG 25 HH12 ARG 25 8.436 -2.124 -2.167 225 HH21 ARG 25 HH21 ARG 25 8.337 -1.158 1.213 226 HH22 ARG 25 HH22 ARG 25 8.648 -0.634 -0.414 227 H PHE 26 H PHE 26 5.840 -6.123 -1.399 228 HA PHE 26 HA PHE 26 6.068 -8.392 -3.196 229 HB2 PHE 26 HB2 PHE 26 4.539 -7.128 -4.849 230 HB3 PHE 26 HB3 PHE 26 3.794 -8.047 -3.551 231 HD1 PHE 26 HD2 PHE 26 2.727 -6.884 -1.664 232 HD2 PHE 26 HD1 PHE 26 4.334 -4.754 -4.979 233 HE1 PHE 26 HE2 PHE 26 1.439 -4.897 -1.007 234 HE2 PHE 26 HE1 PHE 26 3.049 -2.763 -4.324 235 HZ PHE 26 HZ PHE 26 1.600 -2.831 -2.339 236 HA PRO 27 HA PRO 27 9.135 -5.253 -4.381 237 HB2 PRO 27 HB2 PRO 27 11.128 -7.302 -4.344 238 HB3 PRO 27 HB3 PRO 27 10.945 -5.956 -3.220 239 HG2 PRO 27 HG2 PRO 27 10.591 -8.620 -2.566 240 HG3 PRO 27 HG3 PRO 27 9.928 -7.255 -1.654 241 HD2 PRO 27 HD2 PRO 27 8.591 -9.025 -3.660 242 HD3 PRO 27 HD3 PRO 27 7.944 -8.338 -2.154 243 H LYS 28 H LYS 28 8.275 -5.129 -6.449 244 HA LYS 28 HA LYS 28 8.303 -5.347 -8.715 245 HB2 LYS 28 HB2 LYS 28 10.497 -7.376 -8.240 246 HB3 LYS 28 HB3 LYS 28 10.063 -6.689 -9.798 247 HG2 LYS 28 HG2 LYS 28 10.856 -4.553 -9.185 248 HG3 LYS 28 HG3 LYS 28 10.980 -5.006 -7.485 249 HD2 LYS 28 HD2 LYS 28 12.586 -6.367 -9.634 250 HD3 LYS 28 HD3 LYS 28 13.143 -4.902 -8.827 251 HE2 LYS 28 HE2 LYS 28 14.137 -6.757 -7.705 252 HE3 LYS 28 HE3 LYS 28 12.893 -6.105 -6.645 253 HZ1 LYS 28 HZ1 LYS 28 12.890 -8.537 -6.720 254 HZ2 LYS 28 HZ2 LYS 28 12.568 -8.495 -8.386 255 HZ3 LYS 28 HZ3 LYS 28 11.427 -7.895 -7.285 256 H SER 29 H SER 29 6.850 -7.229 -6.779 257 HA SER 29 HA SER 29 6.579 -9.719 -8.096 258 HB2 SER 29 HB2 SER 29 4.633 -8.384 -6.206 259 HB3 SER 29 HB3 SER 29 4.710 -10.104 -6.596 260 HG SER 29 HG SER 29 5.906 -10.049 -4.817 261 H THR 30 H THR 30 4.760 -6.705 -8.236 262 HA THR 30 HA THR 30 3.228 -5.879 -9.660 263 HB THR 30 HB THR 30 4.061 -7.719 -11.840 264 HG1 THR 30 HG1 THR 30 6.039 -7.417 -10.763 265 HG21 THR 30 HG21 THR 30 4.211 -5.563 -13.033 266 HG22 THR 30 HG22 THR 30 3.817 -4.734 -11.525 267 HG23 THR 30 HG23 THR 30 2.632 -5.798 -12.280 268 H GLU 31 H GLU 31 2.381 -8.163 -8.072 269 HA GLU 31 HA GLU 31 0.612 -9.661 -9.837 270 HB2 GLU 31 HB2 GLU 31 1.501 -9.949 -6.999 271 HB3 GLU 31 HB3 GLU 31 0.020 -10.737 -7.525 272 HG2 GLU 31 HG2 GLU 31 2.706 -11.114 -8.824 273 HG3 GLU 31 HG3 GLU 31 2.012 -12.195 -7.615 274 H GLY 32 H GLY 32 -1.586 -9.624 -9.745 275 HA2 GLY 32 HA2 GLY 32 -3.706 -8.872 -9.299 276 HA3 GLY 32 HA3 GLY 32 -3.125 -8.459 -7.692 277 H ASN 33 H ASN 33 -4.580 -6.628 -7.863 278 HA ASN 33 HA ASN 33 -4.047 -4.535 -9.739 279 HB2 ASN 33 HB2 ASN 33 -5.489 -4.485 -7.075 280 HB3 ASN 33 HB3 ASN 33 -5.440 -3.137 -8.207 281 HD21 ASN 33 HD21 ASN 33 -6.693 -6.302 -7.558 282 HD22 ASN 33 HD22 ASN 33 -7.891 -6.299 -8.821 283 H LEU 34 H LEU 34 -2.610 -5.627 -6.875 284 HA LEU 34 HA LEU 34 -1.502 -3.261 -5.845 285 HB2 LEU 34 HB2 LEU 34 -0.419 -6.067 -5.673 286 HB3 LEU 34 HB3 LEU 34 0.008 -4.727 -4.630 287 HG LEU 34 HG LEU 34 -2.666 -6.104 -4.799 288 HD11 LEU 34 HD11 LEU 34 -2.214 -6.683 -2.467 289 HD12 LEU 34 HD12 LEU 34 -0.633 -5.912 -2.586 290 HD13 LEU 34 HD13 LEU 34 -0.993 -7.341 -3.555 291 HD21 LEU 34 HD21 LEU 34 -1.858 -3.718 -3.143 292 HD22 LEU 34 HD22 LEU 34 -3.388 -4.589 -3.025 293 HD23 LEU 34 HD23 LEU 34 -2.986 -3.707 -4.500 294 H GLY 35 H GLY 35 -0.378 -5.537 -8.289 295 HA2 GLY 35 HA2 GLY 35 2.169 -4.610 -8.796 296 HA3 GLY 35 HA3 GLY 35 1.068 -5.174 -10.045 297 H GLY 36 H GLY 36 -0.890 -3.228 -9.918 298 HA2 GLY 36 HA2 GLY 36 0.443 -1.033 -11.254 299 HA3 GLY 36 HA3 GLY 36 -1.293 -1.241 -11.056 300 H TRP 37 H TRP 37 -1.113 -1.632 -8.191 301 HA TRP 37 HA TRP 37 -1.501 0.963 -7.266 302 HB2 TRP 37 HB2 TRP 37 -2.032 -1.410 -6.230 303 HB3 TRP 37 HB3 TRP 37 -0.512 -1.132 -5.383 304 HD1 TRP 37 HD1 TRP 37 -3.950 0.541 -5.872 305 HE1 TRP 37 HE1 TRP 37 -4.500 1.906 -3.775 306 HE3 TRP 37 HE3 TRP 37 0.428 -0.121 -3.304 307 HZ2 TRP 37 HZ2 TRP 37 -3.239 2.599 -1.329 308 HZ3 TRP 37 HZ3 TRP 37 0.670 0.918 -1.100 309 HH2 TRP 37 HH2 TRP 37 -1.129 2.255 -0.132 310 H CYS 38 H CYS 38 1.348 -1.141 -6.863 311 HA CYS 38 HA CYS 38 2.886 0.756 -5.455 312 HB2 CYS 38 HB2 CYS 38 4.794 -0.707 -5.894 313 HB3 CYS 38 HB3 CYS 38 3.389 -1.644 -5.403 314 HG CYS 38 HG CYS 38 2.796 -2.182 -8.231 315 H HIS 39 H HIS 39 2.371 0.220 -8.863 316 HA HIS 39 HA HIS 39 4.589 1.653 -9.851 317 HB2 HIS 39 HB2 HIS 39 1.880 1.075 -11.044 318 HB3 HIS 39 HB3 HIS 39 3.129 1.954 -11.915 319 HD1 HIS 39 HD1 HIS 39 2.014 -0.771 -12.899 320 HD2 HIS 39 HD2 HIS 39 5.477 -0.287 -10.645 321 HE1 HIS 39 HE1 HIS 39 3.418 -2.807 -13.361 322 HE2 HIS 39 HE2 HIS 39 5.590 -2.398 -12.140 323 H THR 40 H THR 40 1.254 2.686 -9.182 324 HA THR 40 HA THR 40 1.812 5.414 -9.863 325 HB THR 40 HB THR 40 -0.560 4.321 -8.338 326 HG1 THR 40 HG1 THR 40 -1.336 3.654 -10.212 327 HG21 THR 40 HG21 THR 40 -1.726 6.277 -9.271 328 HG22 THR 40 HG22 THR 40 -0.216 6.818 -10.006 329 HG23 THR 40 HG23 THR 40 -0.369 6.755 -8.249 330 H GLN 41 H GLN 41 2.142 3.480 -7.032 331 HA GLN 41 HA GLN 41 2.043 5.664 -5.172 332 HB2 GLN 41 HB2 GLN 41 2.073 2.845 -4.998 333 HB3 GLN 41 HB3 GLN 41 3.480 3.424 -4.115 334 HG2 GLN 41 HG2 GLN 41 1.583 3.218 -2.635 335 HG3 GLN 41 HG3 GLN 41 2.055 4.906 -2.802 336 HE21 GLN 41 HE21 GLN 41 0.263 3.134 -5.232 337 HE22 GLN 41 HE22 GLN 41 -1.223 4.008 -5.043 338 H ARG 42 H ARG 42 4.506 4.111 -7.093 339 HA ARG 42 HA ARG 42 6.842 5.073 -5.926 340 HB2 ARG 42 HB2 ARG 42 6.088 4.753 -8.834 341 HB3 ARG 42 HB3 ARG 42 7.701 5.223 -8.322 342 HG2 ARG 42 HG2 ARG 42 6.360 2.689 -7.424 343 HG3 ARG 42 HG3 ARG 42 7.389 2.795 -8.854 344 HD2 ARG 42 HD2 ARG 42 9.220 3.643 -7.404 345 HD3 ARG 42 HD3 ARG 42 8.181 3.380 -6.003 346 HE ARG 42 HE ARG 42 8.189 0.978 -6.671 347 HH11 ARG 42 HH11 ARG 42 10.786 3.092 -7.658 348 HH12 ARG 42 HH12 ARG 42 11.952 1.815 -7.819 349 HH21 ARG 42 HH21 ARG 42 9.723 -0.725 -6.881 350 HH22 ARG 42 HH22 ARG 42 11.341 -0.361 -7.388 351 H LYS 43 H LYS 43 4.697 6.609 -8.243 352 HA LYS 43 HA LYS 43 5.803 9.097 -8.549 353 HB2 LYS 43 HB2 LYS 43 3.890 8.312 -9.801 354 HB3 LYS 43 HB3 LYS 43 2.916 8.240 -8.345 355 HG2 LYS 43 HG2 LYS 43 3.358 10.787 -8.221 356 HG3 LYS 43 HG3 LYS 43 3.772 10.612 -9.932 357 HD2 LYS 43 HD2 LYS 43 1.595 9.529 -10.322 358 HD3 LYS 43 HD3 LYS 43 1.184 9.776 -8.625 359 HE2 LYS 43 HE2 LYS 43 0.146 11.555 -9.646 360 HE3 LYS 43 HE3 LYS 43 1.671 12.266 -9.129 361 HZ1 LYS 43 HZ1 LYS 43 1.038 11.286 -11.861 362 HZ2 LYS 43 HZ2 LYS 43 2.539 11.910 -11.372 363 HZ3 LYS 43 HZ3 LYS 43 1.168 12.906 -11.386 364 H MET 44 H MET 44 3.200 8.332 -6.236 365 HA MET 44 HA MET 44 3.177 10.750 -4.869 366 HB2 MET 44 HB2 MET 44 2.676 8.139 -3.447 367 HB3 MET 44 HB3 MET 44 1.897 9.692 -3.191 368 HG2 MET 44 HG2 MET 44 1.525 7.828 -5.511 369 HG3 MET 44 HG3 MET 44 0.367 8.202 -4.237 370 HE1 MET 44 HE1 MET 44 -0.002 8.265 -7.396 371 HE2 MET 44 HE2 MET 44 -1.004 9.701 -7.635 372 HE3 MET 44 HE3 MET 44 -1.356 8.587 -6.313 373 H ARG 45 H ARG 45 5.076 7.827 -4.139 374 HA ARG 45 HA ARG 45 5.843 8.745 -1.588 375 HB2 ARG 45 HB2 ARG 45 7.308 6.856 -1.456 376 HB3 ARG 45 HB3 ARG 45 5.812 6.372 -2.209 377 HG2 ARG 45 HG2 ARG 45 7.403 5.235 -3.422 378 HG3 ARG 45 HG3 ARG 45 7.079 6.643 -4.428 379 HD2 ARG 45 HD2 ARG 45 9.541 5.860 -3.911 380 HD3 ARG 45 HD3 ARG 45 9.129 7.570 -4.035 381 HE ARG 45 HE ARG 45 8.938 6.491 -1.367 382 HH11 ARG 45 HH11 ARG 45 11.071 7.913 -3.732 383 HH12 ARG 45 HH12 ARG 45 12.093 8.675 -2.555 384 HH21 ARG 45 HH21 ARG 45 10.254 7.499 0.205 385 HH22 ARG 45 HH22 ARG 45 11.653 8.395 -0.304 386 H LYS 46 H LYS 46 7.478 9.033 -4.714 387 HA LYS 46 HA LYS 46 9.817 10.182 -3.492 388 HB2 LYS 46 HB2 LYS 46 10.592 10.525 -5.769 389 HB3 LYS 46 HB3 LYS 46 9.999 8.889 -5.566 390 HG2 LYS 46 HG2 LYS 46 7.954 9.444 -6.709 391 HG3 LYS 46 HG3 LYS 46 8.438 11.138 -6.815 392 HD2 LYS 46 HD2 LYS 46 10.351 10.501 -8.201 393 HD3 LYS 46 HD3 LYS 46 9.860 8.810 -8.095 394 HE2 LYS 46 HE2 LYS 46 7.808 9.277 -9.256 395 HE3 LYS 46 HE3 LYS 46 8.149 11.007 -9.242 396 HZ1 LYS 46 HZ1 LYS 46 8.653 9.976 -11.382 397 HZ2 LYS 46 HZ2 LYS 46 9.784 8.957 -10.632 398 HZ3 LYS 46 HZ3 LYS 46 10.041 10.632 -10.661 399 H GLN 47 H GLN 47 6.789 11.271 -4.579 400 HA GLN 47 HA GLN 47 7.614 14.044 -4.821 401 HB2 GLN 47 HB2 GLN 47 5.031 12.563 -5.212 402 HB3 GLN 47 HB3 GLN 47 5.060 14.317 -5.159 403 HG2 GLN 47 HG2 GLN 47 6.742 14.265 -7.006 404 HG3 GLN 47 HG3 GLN 47 6.489 12.525 -7.107 405 HE21 GLN 47 HE21 GLN 47 5.743 12.660 -9.209 406 HE22 GLN 47 HE22 GLN 47 4.192 13.318 -9.607 407 H GLY 48 H GLY 48 6.588 11.914 -2.415 408 HA2 GLY 48 HA2 GLY 48 6.286 12.241 -0.160 409 HA3 GLY 48 HA3 GLY 48 6.634 13.947 -0.407 410 H LYS 49 H LYS 49 4.110 12.328 -2.196 411 HA LYS 49 HA LYS 49 2.169 14.069 -0.848 412 HB2 LYS 49 HB2 LYS 49 1.830 12.524 -3.418 413 HB3 LYS 49 HB3 LYS 49 0.731 13.732 -2.768 414 HG2 LYS 49 HG2 LYS 49 2.657 15.369 -2.964 415 HG3 LYS 49 HG3 LYS 49 3.465 14.133 -3.931 416 HD2 LYS 49 HD2 LYS 49 0.846 15.504 -4.515 417 HD3 LYS 49 HD3 LYS 49 2.350 15.630 -5.427 418 HE2 LYS 49 HE2 LYS 49 2.169 13.213 -5.959 419 HE3 LYS 49 HE3 LYS 49 0.605 13.188 -5.144 420 HZ1 LYS 49 HZ1 LYS 49 -0.183 14.868 -6.721 421 HZ2 LYS 49 HZ2 LYS 49 0.292 13.444 -7.504 422 HZ3 LYS 49 HZ3 LYS 49 1.302 14.810 -7.534 423 H LEU 50 H LEU 50 3.178 10.865 -0.995 424 HA LEU 50 HA LEU 50 0.797 9.435 -0.603 425 HB2 LEU 50 HB2 LEU 50 3.612 8.960 -0.462 426 HB3 LEU 50 HB3 LEU 50 2.890 8.323 1.000 427 HG LEU 50 HG LEU 50 1.896 7.579 -1.751 428 HD11 LEU 50 HD11 LEU 50 4.241 6.957 -1.596 429 HD12 LEU 50 HD12 LEU 50 3.215 5.525 -1.510 430 HD13 LEU 50 HD13 LEU 50 3.947 6.174 -0.043 431 HD21 LEU 50 HD21 LEU 50 0.961 5.653 -0.574 432 HD22 LEU 50 HD22 LEU 50 0.362 7.162 0.114 433 HD23 LEU 50 HD23 LEU 50 1.623 6.253 0.947 434 HA PRO 51 HA PRO 51 -0.347 10.886 3.447 435 HB2 PRO 51 HB2 PRO 51 -2.147 8.942 4.081 436 HB3 PRO 51 HB3 PRO 51 -2.498 10.272 2.973 437 HG2 PRO 51 HG2 PRO 51 -1.778 7.443 2.376 438 HG3 PRO 51 HG3 PRO 51 -2.935 8.503 1.554 439 HD2 PRO 51 HD2 PRO 51 -0.439 7.962 0.600 440 HD3 PRO 51 HD3 PRO 51 -1.316 9.464 0.256 441 H ASN 52 H ASN 52 0.706 10.717 5.248 442 HA ASN 52 HA ASN 52 2.422 8.648 6.007 443 HB2 ASN 52 HB2 ASN 52 2.316 11.107 6.761 444 HB3 ASN 52 HB3 ASN 52 1.083 10.583 7.898 445 HD21 ASN 52 HD21 ASN 52 3.743 11.731 8.296 446 HD22 ASN 52 HD22 ASN 52 4.586 10.609 9.312 447 H ASP 53 H ASP 53 -0.929 9.340 6.782 448 HA ASP 53 HA ASP 53 -1.382 7.549 8.854 449 HB2 ASP 53 HB2 ASP 53 -3.289 8.311 6.637 450 HB3 ASP 53 HB3 ASP 53 -3.744 7.593 8.176 451 H ARG 54 H ARG 54 -1.651 7.008 5.351 452 HA ARG 54 HA ARG 54 -2.606 4.346 5.670 453 HB2 ARG 54 HB2 ARG 54 -2.931 4.327 3.424 454 HB3 ARG 54 HB3 ARG 54 -2.768 6.061 3.624 455 HG2 ARG 54 HG2 ARG 54 -1.399 5.733 1.836 456 HG3 ARG 54 HG3 ARG 54 -0.228 5.534 3.143 457 HD2 ARG 54 HD2 ARG 54 -0.071 3.765 1.389 458 HD3 ARG 54 HD3 ARG 54 -0.399 3.137 3.004 459 HE ARG 54 HE ARG 54 -2.387 3.391 0.835 460 HH11 ARG 54 HH11 ARG 54 -1.392 2.017 3.907 461 HH12 ARG 54 HH12 ARG 54 -2.548 0.727 3.851 462 HH21 ARG 54 HH21 ARG 54 -3.900 1.668 0.764 463 HH22 ARG 54 HH22 ARG 54 -3.968 0.525 2.064 464 H ARG 55 H ARG 55 0.549 5.805 5.459 465 HA ARG 55 HA ARG 55 2.070 3.546 4.816 466 HB2 ARG 55 HB2 ARG 55 3.075 5.716 4.769 467 HB3 ARG 55 HB3 ARG 55 2.636 6.025 6.442 468 HG2 ARG 55 HG2 ARG 55 4.176 4.228 7.132 469 HG3 ARG 55 HG3 ARG 55 4.671 4.055 5.446 470 HD2 ARG 55 HD2 ARG 55 4.849 6.625 6.997 471 HD3 ARG 55 HD3 ARG 55 6.155 5.467 6.850 472 HE ARG 55 HE ARG 55 5.004 7.010 4.629 473 HH11 ARG 55 HH11 ARG 55 7.678 5.198 6.024 474 HH12 ARG 55 HH12 ARG 55 8.760 5.562 4.705 475 HH21 ARG 55 HH21 ARG 55 6.435 7.501 2.933 476 HH22 ARG 55 HH22 ARG 55 8.061 6.865 2.956 477 H LEU 56 H LEU 56 0.801 4.804 7.856 478 HA LEU 56 HA LEU 56 2.029 2.860 9.517 479 HB2 LEU 56 HB2 LEU 56 -0.135 4.885 9.837 480 HB3 LEU 56 HB3 LEU 56 -0.006 3.619 11.038 481 HG LEU 56 HG LEU 56 2.247 4.317 11.604 482 HD11 LEU 56 HD11 LEU 56 1.916 6.439 9.487 483 HD12 LEU 56 HD12 LEU 56 2.981 5.037 9.384 484 HD13 LEU 56 HD13 LEU 56 3.274 6.282 10.599 485 HD21 LEU 56 HD21 LEU 56 0.393 5.418 12.735 486 HD22 LEU 56 HD22 LEU 56 0.344 6.653 11.476 487 HD23 LEU 56 HD23 LEU 56 1.752 6.523 12.530 488 H LEU 57 H LEU 57 -1.000 3.019 7.759 489 HA LEU 57 HA LEU 57 -2.252 0.756 8.883 490 HB2 LEU 57 HB2 LEU 57 -2.473 1.749 6.037 491 HB3 LEU 57 HB3 LEU 57 -3.608 0.699 6.861 492 HG LEU 57 HG LEU 57 -3.067 3.599 7.514 493 HD11 LEU 57 HD11 LEU 57 -5.489 2.242 6.339 494 HD12 LEU 57 HD12 LEU 57 -4.348 3.261 5.463 495 HD13 LEU 57 HD13 LEU 57 -5.348 3.955 6.739 496 HD21 LEU 57 HD21 LEU 57 -3.560 2.349 9.542 497 HD22 LEU 57 HD22 LEU 57 -4.990 1.648 8.781 498 HD23 LEU 57 HD23 LEU 57 -4.922 3.380 9.102 499 H LEU 58 H LEU 58 0.036 1.155 6.227 500 HA LEU 58 HA LEU 58 0.094 -1.604 5.505 501 HB2 LEU 58 HB2 LEU 58 2.048 0.644 4.984 502 HB3 LEU 58 HB3 LEU 58 2.208 -0.965 4.307 503 HG LEU 58 HG LEU 58 -0.071 0.947 3.784 504 HD11 LEU 58 HD11 LEU 58 0.822 1.052 1.526 505 HD12 LEU 58 HD12 LEU 58 2.156 -0.006 1.995 506 HD13 LEU 58 HD13 LEU 58 2.016 1.604 2.702 507 HD21 LEU 58 HD21 LEU 58 0.482 -1.797 2.667 508 HD22 LEU 58 HD22 LEU 58 -0.795 -0.704 2.131 509 HD23 LEU 58 HD23 LEU 58 -0.826 -1.363 3.766 510 H ASP 59 H ASP 59 1.850 0.412 7.757 511 HA ASP 59 HA ASP 59 3.889 -1.409 8.441 512 HB2 ASP 59 HB2 ASP 59 3.939 0.983 9.035 513 HB3 ASP 59 HB3 ASP 59 2.601 0.733 10.150 514 H LYS 60 H LYS 60 0.567 -1.068 9.488 515 HA LYS 60 HA LYS 60 0.645 -2.662 11.790 516 HB2 LYS 60 HB2 LYS 60 -1.358 -1.426 10.136 517 HB3 LYS 60 HB3 LYS 60 -1.865 -3.050 10.575 518 HG2 LYS 60 HG2 LYS 60 -2.696 -1.439 12.171 519 HG3 LYS 60 HG3 LYS 60 -1.524 -2.512 12.938 520 HD2 LYS 60 HD2 LYS 60 0.207 -0.786 12.659 521 HD3 LYS 60 HD3 LYS 60 -0.998 0.285 11.939 522 HE2 LYS 60 HE2 LYS 60 -2.290 0.226 14.009 523 HE3 LYS 60 HE3 LYS 60 -1.089 -0.845 14.734 524 HZ1 LYS 60 HZ1 LYS 60 -0.703 1.402 15.437 525 HZ2 LYS 60 HZ2 LYS 60 -0.658 1.952 13.833 526 HZ3 LYS 60 HZ3 LYS 60 0.565 0.930 14.413 527 H ILE 61 H ILE 61 0.143 -3.527 8.396 528 HA ILE 61 HA ILE 61 -0.215 -6.317 9.105 529 HB ILE 61 HB ILE 61 -0.353 -6.648 6.598 530 HG12 ILE 61 HG12 ILE 61 -0.428 -3.620 6.651 531 HG13 ILE 61 HG13 ILE 61 0.828 -4.606 5.908 532 HG21 ILE 61 HG21 ILE 61 -2.314 -6.554 8.025 533 HG22 ILE 61 HG22 ILE 61 -2.636 -5.739 6.494 534 HG23 ILE 61 HG23 ILE 61 -2.310 -4.791 7.944 535 HD11 ILE 61 HD11 ILE 61 -2.058 -4.473 5.069 536 HD12 ILE 61 HD12 ILE 61 -0.819 -5.485 4.325 537 HD13 ILE 61 HD13 ILE 61 -0.691 -3.727 4.243 538 H GLY 62 H GLY 62 2.368 -4.252 8.391 539 HA2 GLY 62 HA2 GLY 62 4.577 -5.029 8.890 540 HA3 GLY 62 HA3 GLY 62 4.121 -6.611 8.287 541 H PHE 63 H PHE 63 3.259 -3.799 6.458 542 HA PHE 63 HA PHE 63 4.943 -4.588 4.271 543 HB2 PHE 63 HB2 PHE 63 2.674 -3.539 4.008 544 HB3 PHE 63 HB3 PHE 63 3.354 -2.033 4.609 545 HD1 PHE 63 HD1 PHE 63 3.354 -4.431 1.833 546 HD2 PHE 63 HD2 PHE 63 4.689 -0.633 3.211 547 HE1 PHE 63 HE1 PHE 63 3.991 -3.826 -0.464 548 HE2 PHE 63 HE2 PHE 63 5.332 -0.022 0.918 549 HZ PHE 63 HZ PHE 63 4.981 -1.620 -0.924 550 H VAL 64 H VAL 64 7.049 -4.340 4.498 551 HA VAL 64 HA VAL 64 8.157 -2.268 6.134 552 HB VAL 64 HB VAL 64 9.023 -4.639 5.936 553 HG11 VAL 64 HG11 VAL 64 10.203 -3.571 3.378 554 HG12 VAL 64 HG12 VAL 64 9.022 -4.872 3.535 555 HG13 VAL 64 HG13 VAL 64 10.657 -5.088 4.158 556 HG21 VAL 64 HG21 VAL 64 10.995 -2.393 5.560 557 HG22 VAL 64 HG22 VAL 64 11.352 -3.978 6.249 558 HG23 VAL 64 HG23 VAL 64 10.250 -2.879 7.082 559 H TRP 65 H TRP 65 9.712 -0.688 5.432 560 HA TRP 65 HA TRP 65 9.215 0.197 2.658 561 HB2 TRP 65 HB2 TRP 65 9.717 1.874 5.123 562 HB3 TRP 65 HB3 TRP 65 9.473 2.499 3.497 563 HD1 TRP 65 HD1 TRP 65 7.581 1.025 6.454 564 HE1 TRP 65 HE1 TRP 65 5.058 1.372 6.089 565 HE3 TRP 65 HE3 TRP 65 7.689 2.743 1.642 566 HZ2 TRP 65 HZ2 TRP 65 3.345 2.268 4.043 567 HZ3 TRP 65 HZ3 TRP 65 5.559 3.324 0.557 568 HH2 TRP 65 HH2 TRP 65 3.433 3.092 1.731 569 H SER 66 H SER 66 11.436 -1.499 3.638 570 HA SER 66 HA SER 66 13.801 -0.026 3.961 571 HB2 SER 66 HB2 SER 66 13.510 -2.788 2.761 572 HB3 SER 66 HB3 SER 66 14.961 -2.106 3.501 573 HG SER 66 HG SER 66 13.522 -1.842 5.431 574 H LEU 67 H LEU 67 11.943 -0.622 1.135 575 HA LEU 67 HA LEU 67 14.178 -0.198 -0.683 576 HB2 LEU 67 HB2 LEU 67 11.259 -0.750 -1.212 577 HB3 LEU 67 HB3 LEU 67 12.471 -0.564 -2.462 578 HG LEU 67 HG LEU 67 13.662 -2.554 -1.328 579 HD11 LEU 67 HD11 LEU 67 12.351 -2.567 0.731 580 HD12 LEU 67 HD12 LEU 67 12.205 -4.095 -0.136 581 HD13 LEU 67 HD13 LEU 67 10.891 -2.918 -0.197 582 HD21 LEU 67 HD21 LEU 67 12.261 -4.150 -2.571 583 HD22 LEU 67 HD22 LEU 67 12.627 -2.699 -3.503 584 HD23 LEU 67 HD23 LEU 67 11.037 -2.896 -2.766 585 H GLU 68 H GLU 68 12.544 1.821 1.136 586 HA GLU 68 HA GLU 68 11.529 3.724 -0.740 587 HB2 GLU 68 HB2 GLU 68 10.499 3.721 1.386 588 HB3 GLU 68 HB3 GLU 68 12.043 3.785 2.225 589 HG2 GLU 68 HG2 GLU 68 12.348 6.040 1.734 590 HG3 GLU 68 HG3 GLU 68 11.131 6.022 0.462 591 H HIS 69 H HIS 69 12.571 5.267 -1.792 592 HA HIS 69 HA HIS 69 15.401 5.587 -1.601 593 HB2 HIS 69 HB2 HIS 69 13.703 5.948 -3.608 594 HB3 HIS 69 HB3 HIS 69 13.662 7.592 -2.984 595 HD1 HIS 69 HD1 HIS 69 15.392 9.108 -3.932 596 HD2 HIS 69 HD2 HIS 69 16.488 5.105 -4.217 597 HE1 HIS 69 HE1 HIS 69 17.550 9.087 -5.226 598 HE2 HIS 69 HE2 HIS 69 18.070 6.642 -5.573 599 H HIS 70 H HIS 70 16.563 7.419 -0.836 600 HA HIS 70 HA HIS 70 15.531 8.256 1.669 601 HB2 HIS 70 HB2 HIS 70 18.046 9.019 0.199 602 HB3 HIS 70 HB3 HIS 70 17.670 9.575 1.829 603 HD1 HIS 70 HD1 HIS 70 19.681 7.177 0.319 604 HD2 HIS 70 HD2 HIS 70 16.919 7.010 3.420 605 HE1 HIS 70 HE1 HIS 70 20.258 5.115 1.632 606 HE2 HIS 70 HE2 HIS 70 18.719 5.171 3.629 607 H HIS 71 H HIS 71 15.267 9.705 -1.405 608 HA HIS 71 HA HIS 71 14.173 11.574 -2.099 609 HB2 HIS 71 HB2 HIS 71 12.513 10.815 -0.385 610 HB3 HIS 71 HB3 HIS 71 13.307 11.850 0.793 611 HD1 HIS 71 HD1 HIS 71 11.869 13.811 1.191 612 HD2 HIS 71 HD2 HIS 71 11.895 12.720 -2.827 613 HE1 HIS 71 HE1 HIS 71 10.410 15.490 0.017 614 HE2 HIS 71 HE2 HIS 71 10.388 14.784 -2.400 615 H HIS 72 H HIS 72 16.933 11.645 -0.918 616 HA HIS 72 HA HIS 72 17.061 14.497 -0.219 617 HB2 HIS 72 HB2 HIS 72 18.953 12.206 0.276 618 HB3 HIS 72 HB3 HIS 72 19.499 13.879 0.369 619 HD1 HIS 72 HD1 HIS 72 18.754 11.432 2.648 620 HD2 HIS 72 HD2 HIS 72 17.217 15.260 2.096 621 HE1 HIS 72 HE1 HIS 72 17.756 12.090 4.860 622 HE2 HIS 72 HE2 HIS 72 17.014 14.477 4.549 623 H HIS 73 H HIS 73 18.900 15.724 -1.141 624 HA HIS 73 HA HIS 73 18.902 15.220 -4.012 625 HB2 HIS 73 HB2 HIS 73 19.834 17.606 -2.399 626 HB3 HIS 73 HB3 HIS 73 19.867 17.516 -4.156 627 HD1 HIS 73 HD1 HIS 73 17.734 18.024 -5.391 628 HD2 HIS 73 HD2 HIS 73 17.215 17.766 -1.271 629 HE1 HIS 73 HE1 HIS 73 15.398 18.849 -4.946 630 HE2 HIS 73 HE2 HIS 73 15.145 18.790 -2.438 631 H HIS 74 H HIS 74 20.540 14.339 -5.031 632 HA HIS 74 HA HIS 74 23.037 13.791 -3.718 633 HB2 HIS 74 HB2 HIS 74 22.165 12.143 -5.262 634 HB3 HIS 74 HB3 HIS 74 22.081 13.337 -6.552 635 HD1 HIS 74 HD1 HIS 74 24.093 13.601 -8.002 636 HD2 HIS 74 HD2 HIS 74 24.895 11.414 -4.556 637 HE1 HIS 74 HE1 HIS 74 26.425 12.700 -8.299 638 HE2 HIS 74 HE2 HIS 74 26.819 11.240 -6.280 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -18.563 15.201 -10.889 2 H2 MET 1 H2 MET 1 -19.954 16.013 -11.399 3 H3 MET 1 H3 MET 1 -19.723 14.389 -11.816 4 HA MET 1 HA MET 1 -20.062 15.404 -9.055 5 HB2 MET 1 HB2 MET 1 -21.998 13.912 -10.842 6 HB3 MET 1 HB3 MET 1 -22.261 14.268 -9.143 7 HG2 MET 1 HG2 MET 1 -23.508 15.862 -10.302 8 HG3 MET 1 HG3 MET 1 -22.059 16.716 -9.776 9 HE1 MET 1 HE1 MET 1 -23.911 15.012 -12.778 10 HE2 MET 1 HE2 MET 1 -22.372 14.147 -12.768 11 HE3 MET 1 HE3 MET 1 -22.762 15.237 -14.097 12 H ASN 2 H ASN 2 -19.316 14.025 -7.570 13 HA ASN 2 HA ASN 2 -18.954 11.217 -8.348 14 HB2 ASN 2 HB2 ASN 2 -17.630 11.018 -6.203 15 HB3 ASN 2 HB3 ASN 2 -16.923 12.068 -7.423 16 HD21 ASN 2 HD21 ASN 2 -16.837 14.279 -7.062 17 HD22 ASN 2 HD22 ASN 2 -17.088 14.968 -5.494 18 H GLN 3 H GLN 3 -21.023 10.552 -8.262 19 HA GLN 3 HA GLN 3 -22.619 11.095 -5.870 20 HB2 GLN 3 HB2 GLN 3 -23.604 11.548 -8.072 21 HB3 GLN 3 HB3 GLN 3 -23.351 9.875 -8.540 22 HG2 GLN 3 HG2 GLN 3 -24.877 9.203 -6.691 23 HG3 GLN 3 HG3 GLN 3 -25.222 10.914 -6.432 24 HE21 GLN 3 HE21 GLN 3 -25.618 8.200 -8.551 25 HE22 GLN 3 HE22 GLN 3 -26.835 8.898 -9.567 26 H ASN 4 H ASN 4 -21.694 8.347 -7.923 27 HA ASN 4 HA ASN 4 -22.580 6.497 -5.845 28 HB2 ASN 4 HB2 ASN 4 -21.615 6.024 -8.672 29 HB3 ASN 4 HB3 ASN 4 -22.053 4.737 -7.552 30 HD21 ASN 4 HD21 ASN 4 -24.226 4.541 -6.890 31 HD22 ASN 4 HD22 ASN 4 -25.514 5.235 -7.818 32 H LEU 5 H LEU 5 -21.232 5.902 -4.345 33 HA LEU 5 HA LEU 5 -18.354 6.124 -4.844 34 HB2 LEU 5 HB2 LEU 5 -19.846 5.698 -2.255 35 HB3 LEU 5 HB3 LEU 5 -18.118 5.956 -2.411 36 HG LEU 5 HG LEU 5 -20.276 7.958 -3.090 37 HD11 LEU 5 HD11 LEU 5 -19.361 9.216 -1.200 38 HD12 LEU 5 HD12 LEU 5 -18.264 7.879 -0.847 39 HD13 LEU 5 HD13 LEU 5 -20.009 7.655 -0.700 40 HD21 LEU 5 HD21 LEU 5 -18.347 8.164 -4.577 41 HD22 LEU 5 HD22 LEU 5 -17.274 8.242 -3.179 42 HD23 LEU 5 HD23 LEU 5 -18.450 9.527 -3.462 43 H GLN 6 H GLN 6 -16.938 4.429 -4.506 44 HA GLN 6 HA GLN 6 -18.073 1.806 -3.905 45 HB2 GLN 6 HB2 GLN 6 -18.051 2.108 -6.397 46 HB3 GLN 6 HB3 GLN 6 -16.306 2.302 -6.313 47 HG2 GLN 6 HG2 GLN 6 -17.271 -0.124 -5.010 48 HG3 GLN 6 HG3 GLN 6 -17.645 -0.047 -6.730 49 HE21 GLN 6 HE21 GLN 6 -15.309 1.521 -7.393 50 HE22 GLN 6 HE22 GLN 6 -13.954 0.442 -7.297 51 H GLY 7 H GLY 7 -16.829 0.750 -2.502 52 HA2 GLY 7 HA2 GLY 7 -14.449 2.074 -1.546 53 HA3 GLY 7 HA3 GLY 7 -15.203 0.642 -0.858 54 H GLU 8 H GLU 8 -13.492 1.599 -3.833 55 HA GLU 8 HA GLU 8 -12.470 -1.059 -4.191 56 HB2 GLU 8 HB2 GLU 8 -12.988 0.516 -6.078 57 HB3 GLU 8 HB3 GLU 8 -11.577 1.456 -5.602 58 HG2 GLU 8 HG2 GLU 8 -10.094 -0.206 -6.243 59 HG3 GLU 8 HG3 GLU 8 -11.329 -1.463 -6.181 60 H TRP 9 H TRP 9 -11.392 1.888 -2.678 61 HA TRP 9 HA TRP 9 -8.660 1.188 -2.461 62 HB2 TRP 9 HB2 TRP 9 -10.098 3.405 -1.756 63 HB3 TRP 9 HB3 TRP 9 -9.812 2.672 -0.179 64 HD1 TRP 9 HD1 TRP 9 -8.295 5.076 -2.411 65 HE1 TRP 9 HE1 TRP 9 -5.782 5.386 -1.944 66 HE3 TRP 9 HE3 TRP 9 -7.503 0.950 0.506 67 HZ2 TRP 9 HZ2 TRP 9 -3.740 4.044 -0.525 68 HZ3 TRP 9 HZ3 TRP 9 -5.243 0.529 1.370 69 HH2 TRP 9 HH2 TRP 9 -3.402 2.042 0.867 70 H MET 10 H MET 10 -11.464 0.652 -0.346 71 HA MET 10 HA MET 10 -10.187 -0.796 1.673 72 HB2 MET 10 HB2 MET 10 -12.524 -0.010 1.815 73 HB3 MET 10 HB3 MET 10 -12.993 -1.194 0.611 74 HG2 MET 10 HG2 MET 10 -12.390 -3.001 2.106 75 HG3 MET 10 HG3 MET 10 -11.818 -1.843 3.307 76 HE1 MET 10 HE1 MET 10 -15.155 -0.050 4.320 77 HE2 MET 10 HE2 MET 10 -14.030 0.441 3.055 78 HE3 MET 10 HE3 MET 10 -13.416 -0.149 4.600 79 H LYS 11 H LYS 11 -11.554 -1.816 -1.401 80 HA LYS 11 HA LYS 11 -11.193 -4.564 -1.197 81 HB2 LYS 11 HB2 LYS 11 -12.433 -3.417 -3.020 82 HB3 LYS 11 HB3 LYS 11 -10.907 -2.830 -3.664 83 HG2 LYS 11 HG2 LYS 11 -10.270 -5.327 -3.806 84 HG3 LYS 11 HG3 LYS 11 -12.006 -5.613 -3.651 85 HD2 LYS 11 HD2 LYS 11 -10.550 -4.106 -5.814 86 HD3 LYS 11 HD3 LYS 11 -11.548 -5.552 -5.976 87 HE2 LYS 11 HE2 LYS 11 -13.515 -4.227 -5.293 88 HE3 LYS 11 HE3 LYS 11 -12.500 -2.791 -5.226 89 HZ1 LYS 11 HZ1 LYS 11 -11.974 -3.251 -7.629 90 HZ2 LYS 11 HZ2 LYS 11 -13.557 -2.751 -7.305 91 HZ3 LYS 11 HZ3 LYS 11 -13.236 -4.381 -7.614 92 H ASN 12 H ASN 12 -9.062 -2.148 -2.702 93 HA ASN 12 HA ASN 12 -6.899 -3.824 -3.249 94 HB2 ASN 12 HB2 ASN 12 -6.996 -0.849 -2.716 95 HB3 ASN 12 HB3 ASN 12 -5.558 -1.689 -3.279 96 HD21 ASN 12 HD21 ASN 12 -7.126 0.421 -4.568 97 HD22 ASN 12 HD22 ASN 12 -7.622 -0.231 -6.089 98 H TYR 13 H TYR 13 -7.665 -1.936 -0.367 99 HA TYR 13 HA TYR 13 -5.286 -2.324 1.050 100 HB2 TYR 13 HB2 TYR 13 -6.980 -0.719 1.750 101 HB3 TYR 13 HB3 TYR 13 -8.113 -2.022 2.088 102 HD1 TYR 13 HD1 TYR 13 -4.588 -1.154 3.005 103 HD2 TYR 13 HD2 TYR 13 -8.410 -2.483 4.319 104 HE1 TYR 13 HE1 TYR 13 -3.753 -1.250 5.316 105 HE2 TYR 13 HE2 TYR 13 -7.586 -2.588 6.634 106 HH TYR 13 HH TYR 13 -4.509 -1.281 7.552 107 H GLU 14 H GLU 14 -8.284 -4.256 1.055 108 HA GLU 14 HA GLU 14 -7.382 -6.246 2.848 109 HB2 GLU 14 HB2 GLU 14 -9.515 -6.219 0.720 110 HB3 GLU 14 HB3 GLU 14 -9.215 -7.631 1.724 111 HG2 GLU 14 HG2 GLU 14 -9.868 -4.912 2.822 112 HG3 GLU 14 HG3 GLU 14 -11.071 -6.159 2.492 113 H GLU 15 H GLU 15 -7.273 -6.011 -0.682 114 HA GLU 15 HA GLU 15 -6.192 -8.553 -1.181 115 HB2 GLU 15 HB2 GLU 15 -6.025 -5.960 -2.710 116 HB3 GLU 15 HB3 GLU 15 -5.333 -7.460 -3.312 117 HG2 GLU 15 HG2 GLU 15 -8.237 -7.049 -2.626 118 HG3 GLU 15 HG3 GLU 15 -7.553 -6.982 -4.250 119 H LEU 16 H LEU 16 -4.724 -5.560 -0.149 120 HA LEU 16 HA LEU 16 -2.028 -6.506 -0.667 121 HB2 LEU 16 HB2 LEU 16 -3.096 -4.025 -0.627 122 HB3 LEU 16 HB3 LEU 16 -2.485 -4.112 1.014 123 HG LEU 16 HG LEU 16 -0.813 -4.567 -1.455 124 HD11 LEU 16 HD11 LEU 16 -1.026 -2.153 0.323 125 HD12 LEU 16 HD12 LEU 16 -1.607 -2.275 -1.337 126 HD13 LEU 16 HD13 LEU 16 0.122 -2.368 -0.998 127 HD21 LEU 16 HD21 LEU 16 0.038 -5.708 0.533 128 HD22 LEU 16 HD22 LEU 16 -0.021 -4.188 1.428 129 HD23 LEU 16 HD23 LEU 16 1.080 -4.364 0.060 130 H LYS 17 H LYS 17 -4.228 -5.966 1.981 131 HA LYS 17 HA LYS 17 -2.662 -6.684 4.153 132 HB2 LYS 17 HB2 LYS 17 -4.943 -5.816 4.313 133 HB3 LYS 17 HB3 LYS 17 -5.574 -7.263 3.550 134 HG2 LYS 17 HG2 LYS 17 -4.049 -7.549 6.075 135 HG3 LYS 17 HG3 LYS 17 -5.684 -6.894 6.136 136 HD2 LYS 17 HD2 LYS 17 -6.492 -8.879 4.911 137 HD3 LYS 17 HD3 LYS 17 -4.861 -9.542 4.954 138 HE2 LYS 17 HE2 LYS 17 -6.590 -8.899 7.339 139 HE3 LYS 17 HE3 LYS 17 -6.244 -10.509 6.711 140 HZ1 LYS 17 HZ1 LYS 17 -3.878 -10.101 7.195 141 HZ2 LYS 17 HZ2 LYS 17 -4.848 -10.070 8.584 142 HZ3 LYS 17 HZ3 LYS 17 -4.296 -8.619 7.912 143 H SER 18 H SER 18 -4.276 -8.651 1.741 144 HA SER 18 HA SER 18 -3.386 -11.129 2.906 145 HB2 SER 18 HB2 SER 18 -4.656 -10.546 0.222 146 HB3 SER 18 HB3 SER 18 -4.420 -12.150 0.921 147 HG SER 18 HG SER 18 -6.199 -10.108 1.674 148 H PHE 19 H PHE 19 -2.226 -8.848 0.550 149 HA PHE 19 HA PHE 19 -0.463 -10.668 -0.787 150 HB2 PHE 19 HB2 PHE 19 -1.447 -8.486 -1.725 151 HB3 PHE 19 HB3 PHE 19 -0.180 -7.670 -0.816 152 HD1 PHE 19 HD2 PHE 19 2.164 -7.943 -1.432 153 HD2 PHE 19 HD1 PHE 19 -0.947 -9.778 -3.680 154 HE1 PHE 19 HE2 PHE 19 3.742 -8.356 -3.274 155 HE2 PHE 19 HE1 PHE 19 0.621 -10.193 -5.529 156 HZ PHE 19 HZ PHE 19 2.973 -9.480 -5.326 157 H VAL 20 H VAL 20 -0.120 -8.276 1.805 158 HA VAL 20 HA VAL 20 2.639 -8.468 2.195 159 HB VAL 20 HB VAL 20 0.433 -8.071 4.223 160 HG11 VAL 20 HG11 VAL 20 3.401 -7.672 4.604 161 HG12 VAL 20 HG12 VAL 20 2.438 -8.963 5.323 162 HG13 VAL 20 HG13 VAL 20 2.138 -7.285 5.774 163 HG21 VAL 20 HG21 VAL 20 1.122 -5.730 4.134 164 HG22 VAL 20 HG22 VAL 20 0.616 -6.315 2.550 165 HG23 VAL 20 HG23 VAL 20 2.333 -6.130 2.914 166 H ARG 21 H ARG 21 0.024 -10.574 3.295 167 HA ARG 21 HA ARG 21 1.787 -12.352 4.704 168 HB2 ARG 21 HB2 ARG 21 -0.738 -11.988 5.070 169 HB3 ARG 21 HB3 ARG 21 -0.970 -13.040 3.685 170 HG2 ARG 21 HG2 ARG 21 0.686 -13.946 6.003 171 HG3 ARG 21 HG3 ARG 21 -1.073 -14.025 6.075 172 HD2 ARG 21 HD2 ARG 21 -1.135 -15.454 4.142 173 HD3 ARG 21 HD3 ARG 21 0.599 -15.264 3.895 174 HE ARG 21 HE ARG 21 0.428 -16.293 6.403 175 HH11 ARG 21 HH11 ARG 21 -0.923 -17.264 3.325 176 HH12 ARG 21 HH12 ARG 21 -0.819 -18.964 3.663 177 HH21 ARG 21 HH21 ARG 21 0.572 -18.520 6.862 178 HH22 ARG 21 HH22 ARG 21 0.009 -19.682 5.694 179 H LYS 22 H LYS 22 0.791 -11.929 1.450 180 HA LYS 22 HA LYS 22 1.178 -14.588 0.517 181 HB2 LYS 22 HB2 LYS 22 -0.290 -12.997 -0.623 182 HB3 LYS 22 HB3 LYS 22 1.082 -11.962 -0.976 183 HG2 LYS 22 HG2 LYS 22 0.472 -13.178 -2.947 184 HG3 LYS 22 HG3 LYS 22 2.039 -13.752 -2.376 185 HD2 LYS 22 HD2 LYS 22 0.987 -15.699 -1.377 186 HD3 LYS 22 HD3 LYS 22 -0.607 -15.104 -1.845 187 HE2 LYS 22 HE2 LYS 22 1.609 -15.783 -3.775 188 HE3 LYS 22 HE3 LYS 22 0.284 -16.866 -3.352 189 HZ1 LYS 22 HZ1 LYS 22 -1.285 -15.332 -4.274 190 HZ2 LYS 22 HZ2 LYS 22 -0.087 -15.631 -5.434 191 HZ3 LYS 22 HZ3 LYS 22 -0.078 -14.177 -4.572 192 H TYR 23 H TYR 23 3.119 -11.612 -0.077 193 HA TYR 23 HA TYR 23 5.466 -13.381 -0.372 194 HB2 TYR 23 HB2 TYR 23 4.669 -11.030 -2.078 195 HB3 TYR 23 HB3 TYR 23 6.316 -11.646 -2.042 196 HD1 TYR 23 HD1 TYR 23 6.523 -14.240 -2.491 197 HD2 TYR 23 HD2 TYR 23 3.221 -11.838 -3.676 198 HE1 TYR 23 HE1 TYR 23 5.951 -15.893 -4.219 199 HE2 TYR 23 HE2 TYR 23 2.630 -13.489 -5.402 200 HH TYR 23 HH TYR 23 4.039 -16.603 -5.534 201 H ARG 24 H ARG 24 4.222 -11.215 1.627 202 HA ARG 24 HA ARG 24 4.942 -9.629 3.070 203 HB2 ARG 24 HB2 ARG 24 7.459 -11.129 2.514 204 HB3 ARG 24 HB3 ARG 24 7.574 -9.598 3.371 205 HG2 ARG 24 HG2 ARG 24 5.988 -12.015 4.214 206 HG3 ARG 24 HG3 ARG 24 7.482 -11.417 4.943 207 HD2 ARG 24 HD2 ARG 24 6.153 -9.221 5.276 208 HD3 ARG 24 HD3 ARG 24 4.733 -10.230 5.021 209 HE ARG 24 HE ARG 24 6.434 -10.151 7.343 210 HH11 ARG 24 HH11 ARG 24 4.125 -12.068 5.533 211 HH12 ARG 24 HH12 ARG 24 3.674 -13.055 6.892 212 HH21 ARG 24 HH21 ARG 24 5.836 -11.419 9.139 213 HH22 ARG 24 HH22 ARG 24 4.669 -12.699 8.943 214 H ARG 25 H ARG 25 4.386 -7.780 2.081 215 HA ARG 25 HA ARG 25 4.444 -5.900 0.839 216 HB2 ARG 25 HB2 ARG 25 6.483 -5.649 2.315 217 HB3 ARG 25 HB3 ARG 25 7.441 -6.245 0.971 218 HG2 ARG 25 HG2 ARG 25 6.324 -4.301 -0.334 219 HG3 ARG 25 HG3 ARG 25 6.016 -3.653 1.282 220 HD2 ARG 25 HD2 ARG 25 8.364 -3.818 1.811 221 HD3 ARG 25 HD3 ARG 25 8.683 -4.524 0.229 222 HE ARG 25 HE ARG 25 7.403 -2.009 -0.039 223 HH11 ARG 25 HH11 ARG 25 10.510 -3.474 0.647 224 HH12 ARG 25 HH12 ARG 25 11.409 -2.070 0.168 225 HH21 ARG 25 HH21 ARG 25 8.571 -0.191 -0.690 226 HH22 ARG 25 HH22 ARG 25 10.308 -0.185 -0.582 227 H PHE 26 H PHE 26 5.884 -4.994 -1.246 228 HA PHE 26 HA PHE 26 6.571 -7.229 -2.977 229 HB2 PHE 26 HB2 PHE 26 5.445 -5.775 -4.866 230 HB3 PHE 26 HB3 PHE 26 4.487 -6.899 -3.912 231 HD1 PHE 26 HD2 PHE 26 5.611 -3.328 -3.725 232 HD2 PHE 26 HD1 PHE 26 2.475 -6.147 -3.149 233 HE1 PHE 26 HE2 PHE 26 4.095 -1.506 -3.068 234 HE2 PHE 26 HE1 PHE 26 0.954 -4.332 -2.494 235 HZ PHE 26 HZ PHE 26 1.763 -2.007 -2.452 236 HA PRO 27 HA PRO 27 9.744 -4.267 -4.118 237 HB2 PRO 27 HB2 PRO 27 10.987 -6.188 -5.781 238 HB3 PRO 27 HB3 PRO 27 11.404 -5.812 -4.109 239 HG2 PRO 27 HG2 PRO 27 10.335 -8.225 -5.034 240 HG3 PRO 27 HG3 PRO 27 10.417 -7.701 -3.344 241 HD2 PRO 27 HD2 PRO 27 8.124 -7.613 -5.252 242 HD3 PRO 27 HD3 PRO 27 8.129 -7.889 -3.494 243 H LYS 28 H LYS 28 7.804 -6.218 -6.213 244 HA LYS 28 HA LYS 28 7.251 -4.206 -8.076 245 HB2 LYS 28 HB2 LYS 28 9.641 -4.754 -8.716 246 HB3 LYS 28 HB3 LYS 28 9.089 -6.368 -9.137 247 HG2 LYS 28 HG2 LYS 28 7.662 -5.477 -10.859 248 HG3 LYS 28 HG3 LYS 28 8.081 -3.826 -10.392 249 HD2 LYS 28 HD2 LYS 28 10.441 -4.309 -10.935 250 HD3 LYS 28 HD3 LYS 28 9.964 -5.917 -11.480 251 HE2 LYS 28 HE2 LYS 28 8.562 -4.940 -13.203 252 HE3 LYS 28 HE3 LYS 28 8.963 -3.319 -12.631 253 HZ1 LYS 28 HZ1 LYS 28 11.253 -3.691 -13.214 254 HZ2 LYS 28 HZ2 LYS 28 10.271 -3.971 -14.568 255 HZ3 LYS 28 HZ3 LYS 28 10.914 -5.281 -13.703 256 H SER 29 H SER 29 5.216 -5.045 -7.435 257 HA SER 29 HA SER 29 4.630 -7.838 -7.727 258 HB2 SER 29 HB2 SER 29 2.262 -6.957 -7.142 259 HB3 SER 29 HB3 SER 29 3.531 -6.835 -5.920 260 HG SER 29 HG SER 29 2.077 -4.886 -6.723 261 H THR 30 H THR 30 3.409 -8.838 -9.241 262 HA THR 30 HA THR 30 2.415 -7.208 -11.485 263 HB THR 30 HB THR 30 2.745 -9.353 -12.837 264 HG1 THR 30 HG1 THR 30 4.583 -10.619 -11.813 265 HG21 THR 30 HG21 THR 30 5.202 -7.963 -11.748 266 HG22 THR 30 HG22 THR 30 4.207 -7.400 -13.089 267 HG23 THR 30 HG23 THR 30 5.122 -8.899 -13.240 268 H GLU 31 H GLU 31 1.352 -8.661 -8.868 269 HA GLU 31 HA GLU 31 -0.594 -10.471 -10.054 270 HB2 GLU 31 HB2 GLU 31 0.862 -11.012 -8.014 271 HB3 GLU 31 HB3 GLU 31 -0.203 -9.940 -7.121 272 HG2 GLU 31 HG2 GLU 31 -2.102 -11.329 -7.615 273 HG3 GLU 31 HG3 GLU 31 -1.119 -12.358 -8.656 274 H GLY 32 H GLY 32 -2.347 -9.509 -10.782 275 HA2 GLY 32 HA2 GLY 32 -4.341 -8.403 -10.803 276 HA3 GLY 32 HA3 GLY 32 -4.351 -8.665 -9.070 277 H ASN 33 H ASN 33 -5.101 -6.826 -8.296 278 HA ASN 33 HA ASN 33 -4.728 -4.287 -9.472 279 HB2 ASN 33 HB2 ASN 33 -5.714 -5.163 -6.758 280 HB3 ASN 33 HB3 ASN 33 -5.606 -3.465 -7.202 281 HD21 ASN 33 HD21 ASN 33 -7.803 -3.168 -7.016 282 HD22 ASN 33 HD22 ASN 33 -8.931 -3.789 -8.180 283 H LEU 34 H LEU 34 -3.011 -6.011 -6.959 284 HA LEU 34 HA LEU 34 -1.656 -3.803 -5.849 285 HB2 LEU 34 HB2 LEU 34 -0.889 -6.712 -5.908 286 HB3 LEU 34 HB3 LEU 34 -0.044 -5.491 -4.989 287 HG LEU 34 HG LEU 34 -1.410 -6.531 -3.412 288 HD11 LEU 34 HD11 LEU 34 -2.962 -4.142 -4.386 289 HD12 LEU 34 HD12 LEU 34 -1.593 -4.119 -3.274 290 HD13 LEU 34 HD13 LEU 34 -3.109 -4.885 -2.792 291 HD21 LEU 34 HD21 LEU 34 -3.683 -6.409 -5.388 292 HD22 LEU 34 HD22 LEU 34 -3.771 -7.048 -3.747 293 HD23 LEU 34 HD23 LEU 34 -2.763 -7.847 -4.953 294 H GLY 35 H GLY 35 -1.025 -5.817 -8.622 295 HA2 GLY 35 HA2 GLY 35 1.620 -5.150 -9.174 296 HA3 GLY 35 HA3 GLY 35 0.397 -5.478 -10.396 297 H GLY 36 H GLY 36 -1.333 -3.370 -10.000 298 HA2 GLY 36 HA2 GLY 36 0.198 -1.191 -11.159 299 HA3 GLY 36 HA3 GLY 36 -1.547 -1.258 -10.991 300 H TRP 37 H TRP 37 -1.277 -1.986 -8.128 301 HA TRP 37 HA TRP 37 -1.628 0.545 -6.999 302 HB2 TRP 37 HB2 TRP 37 -2.304 -1.782 -6.097 303 HB3 TRP 37 HB3 TRP 37 -0.691 -1.804 -5.380 304 HD1 TRP 37 HD1 TRP 37 -4.012 0.077 -5.205 305 HE1 TRP 37 HE1 TRP 37 -4.099 1.387 -3.010 306 HE3 TRP 37 HE3 TRP 37 0.759 -0.762 -3.545 307 HZ2 TRP 37 HZ2 TRP 37 -2.392 1.985 -0.833 308 HZ3 TRP 37 HZ3 TRP 37 1.450 0.218 -1.395 309 HH2 TRP 37 HH2 TRP 37 -0.097 1.566 -0.069 310 H CYS 38 H CYS 38 1.192 -1.634 -6.784 311 HA CYS 38 HA CYS 38 2.794 0.062 -5.234 312 HB2 CYS 38 HB2 CYS 38 4.702 -1.279 -6.041 313 HB3 CYS 38 HB3 CYS 38 3.349 -2.287 -5.545 314 HG CYS 38 HG CYS 38 3.395 -3.688 -7.674 315 H HIS 39 H HIS 39 2.417 -0.209 -8.719 316 HA HIS 39 HA HIS 39 4.447 1.525 -9.537 317 HB2 HIS 39 HB2 HIS 39 1.763 0.933 -10.805 318 HB3 HIS 39 HB3 HIS 39 3.043 1.829 -11.605 319 HD1 HIS 39 HD1 HIS 39 1.962 -0.747 -12.829 320 HD2 HIS 39 HD2 HIS 39 5.258 -0.597 -10.291 321 HE1 HIS 39 HE1 HIS 39 3.301 -2.818 -13.327 322 HE2 HIS 39 HE2 HIS 39 5.249 -2.751 -11.732 323 H THR 40 H THR 40 1.081 2.167 -8.692 324 HA THR 40 HA THR 40 1.227 4.943 -9.387 325 HB THR 40 HB THR 40 -0.893 3.600 -7.698 326 HG1 THR 40 HG1 THR 40 -0.586 2.439 -9.678 327 HG21 THR 40 HG21 THR 40 -2.354 5.319 -8.673 328 HG22 THR 40 HG22 THR 40 -0.979 5.985 -9.555 329 HG23 THR 40 HG23 THR 40 -1.006 6.041 -7.794 330 H GLN 41 H GLN 41 1.382 3.083 -6.381 331 HA GLN 41 HA GLN 41 1.238 5.444 -4.755 332 HB2 GLN 41 HB2 GLN 41 1.080 2.605 -4.335 333 HB3 GLN 41 HB3 GLN 41 2.198 3.326 -3.184 334 HG2 GLN 41 HG2 GLN 41 -0.014 3.262 -2.248 335 HG3 GLN 41 HG3 GLN 41 0.473 4.930 -2.523 336 HE21 GLN 41 HE21 GLN 41 -0.605 2.767 -5.051 337 HE22 GLN 41 HE22 GLN 41 -2.099 3.581 -5.379 338 H ARG 42 H ARG 42 3.792 3.606 -6.212 339 HA ARG 42 HA ARG 42 5.897 4.477 -4.527 340 HB2 ARG 42 HB2 ARG 42 6.137 2.615 -6.161 341 HB3 ARG 42 HB3 ARG 42 6.044 3.779 -7.474 342 HG2 ARG 42 HG2 ARG 42 8.136 4.129 -5.377 343 HG3 ARG 42 HG3 ARG 42 8.357 2.896 -6.618 344 HD2 ARG 42 HD2 ARG 42 8.387 4.474 -8.343 345 HD3 ARG 42 HD3 ARG 42 7.644 5.718 -7.342 346 HE ARG 42 HE ARG 42 9.832 5.637 -6.063 347 HH11 ARG 42 HH11 ARG 42 9.593 4.934 -9.480 348 HH12 ARG 42 HH12 ARG 42 11.214 5.445 -9.826 349 HH21 ARG 42 HH21 ARG 42 11.937 6.378 -6.514 350 HH22 ARG 42 HH22 ARG 42 12.552 6.285 -8.140 351 H LYS 43 H LYS 43 4.225 5.917 -7.235 352 HA LYS 43 HA LYS 43 5.957 8.029 -7.823 353 HB2 LYS 43 HB2 LYS 43 2.938 8.168 -7.841 354 HB3 LYS 43 HB3 LYS 43 4.051 9.135 -8.801 355 HG2 LYS 43 HG2 LYS 43 4.762 7.049 -9.949 356 HG3 LYS 43 HG3 LYS 43 3.498 6.191 -9.063 357 HD2 LYS 43 HD2 LYS 43 3.184 8.372 -11.110 358 HD3 LYS 43 HD3 LYS 43 2.593 6.715 -11.166 359 HE2 LYS 43 HE2 LYS 43 1.032 7.165 -9.374 360 HE3 LYS 43 HE3 LYS 43 1.653 8.806 -9.219 361 HZ1 LYS 43 HZ1 LYS 43 -0.356 8.864 -10.484 362 HZ2 LYS 43 HZ2 LYS 43 0.206 7.664 -11.547 363 HZ3 LYS 43 HZ3 LYS 43 0.933 9.200 -11.537 364 H MET 44 H MET 44 3.170 7.921 -5.646 365 HA MET 44 HA MET 44 3.371 10.500 -4.589 366 HB2 MET 44 HB2 MET 44 2.477 8.184 -2.889 367 HB3 MET 44 HB3 MET 44 1.846 9.823 -2.938 368 HG2 MET 44 HG2 MET 44 1.457 7.661 -4.987 369 HG3 MET 44 HG3 MET 44 0.246 8.337 -3.902 370 HE1 MET 44 HE1 MET 44 0.087 7.969 -7.096 371 HE2 MET 44 HE2 MET 44 -0.741 9.453 -7.568 372 HE3 MET 44 HE3 MET 44 -1.275 8.559 -6.142 373 H ARG 45 H ARG 45 5.030 7.549 -3.764 374 HA ARG 45 HA ARG 45 6.151 8.426 -1.294 375 HB2 ARG 45 HB2 ARG 45 5.844 6.043 -2.022 376 HB3 ARG 45 HB3 ARG 45 7.143 6.263 -3.172 377 HG2 ARG 45 HG2 ARG 45 7.613 6.745 -0.260 378 HG3 ARG 45 HG3 ARG 45 7.599 5.107 -0.907 379 HD2 ARG 45 HD2 ARG 45 9.296 6.014 -2.629 380 HD3 ARG 45 HD3 ARG 45 9.486 7.356 -1.500 381 HE ARG 45 HE ARG 45 9.845 4.584 -0.579 382 HH11 ARG 45 HH11 ARG 45 11.162 7.770 -1.158 383 HH12 ARG 45 HH12 ARG 45 12.632 7.464 -0.295 384 HH21 ARG 45 HH21 ARG 45 11.764 4.180 0.587 385 HH22 ARG 45 HH22 ARG 45 12.969 5.423 0.728 386 H LYS 46 H LYS 46 7.271 8.399 -4.640 387 HA LYS 46 HA LYS 46 9.847 9.513 -4.095 388 HB2 LYS 46 HB2 LYS 46 9.815 8.406 -6.120 389 HB3 LYS 46 HB3 LYS 46 8.198 8.959 -6.522 390 HG2 LYS 46 HG2 LYS 46 9.788 9.930 -8.033 391 HG3 LYS 46 HG3 LYS 46 9.094 11.189 -7.016 392 HD2 LYS 46 HD2 LYS 46 11.174 10.905 -5.550 393 HD3 LYS 46 HD3 LYS 46 11.851 9.991 -6.906 394 HE2 LYS 46 HE2 LYS 46 11.365 11.937 -8.374 395 HE3 LYS 46 HE3 LYS 46 10.856 12.841 -6.952 396 HZ1 LYS 46 HZ1 LYS 46 13.127 13.357 -7.557 397 HZ2 LYS 46 HZ2 LYS 46 13.577 11.731 -7.411 398 HZ3 LYS 46 HZ3 LYS 46 13.082 12.604 -6.042 399 H GLN 47 H GLN 47 6.819 10.850 -5.337 400 HA GLN 47 HA GLN 47 7.654 13.519 -5.559 401 HB2 GLN 47 HB2 GLN 47 4.972 12.193 -5.287 402 HB3 GLN 47 HB3 GLN 47 5.115 13.941 -5.388 403 HG2 GLN 47 HG2 GLN 47 5.993 13.851 -7.563 404 HG3 GLN 47 HG3 GLN 47 6.329 12.125 -7.441 405 HE21 GLN 47 HE21 GLN 47 3.844 14.546 -7.841 406 HE22 GLN 47 HE22 GLN 47 2.625 13.466 -8.443 407 H GLY 48 H GLY 48 6.777 11.651 -2.803 408 HA2 GLY 48 HA2 GLY 48 6.937 12.201 -0.562 409 HA3 GLY 48 HA3 GLY 48 7.424 13.824 -1.037 410 H LYS 49 H LYS 49 4.523 12.301 -2.205 411 HA LYS 49 HA LYS 49 2.948 14.262 -0.672 412 HB2 LYS 49 HB2 LYS 49 1.262 14.032 -2.518 413 HB3 LYS 49 HB3 LYS 49 2.770 14.800 -2.982 414 HG2 LYS 49 HG2 LYS 49 3.510 12.857 -4.122 415 HG3 LYS 49 HG3 LYS 49 2.197 11.890 -3.449 416 HD2 LYS 49 HD2 LYS 49 1.756 14.266 -5.245 417 HD3 LYS 49 HD3 LYS 49 1.888 12.610 -5.838 418 HE2 LYS 49 HE2 LYS 49 -0.022 11.953 -4.490 419 HE3 LYS 49 HE3 LYS 49 -0.130 13.579 -3.820 420 HZ1 LYS 49 HZ1 LYS 49 -1.691 12.995 -5.707 421 HZ2 LYS 49 HZ2 LYS 49 -0.335 13.068 -6.727 422 HZ3 LYS 49 HZ3 LYS 49 -0.819 14.442 -5.860 423 H LEU 50 H LEU 50 3.748 11.143 -0.715 424 HA LEU 50 HA LEU 50 1.355 9.720 -0.403 425 HB2 LEU 50 HB2 LEU 50 4.176 9.365 0.161 426 HB3 LEU 50 HB3 LEU 50 3.210 8.699 1.457 427 HG LEU 50 HG LEU 50 3.165 7.910 -1.452 428 HD11 LEU 50 HD11 LEU 50 3.925 6.423 1.058 429 HD12 LEU 50 HD12 LEU 50 5.027 7.015 -0.187 430 HD13 LEU 50 HD13 LEU 50 3.873 5.738 -0.567 431 HD21 LEU 50 HD21 LEU 50 1.507 6.237 -0.844 432 HD22 LEU 50 HD22 LEU 50 0.888 7.865 -0.574 433 HD23 LEU 50 HD23 LEU 50 1.431 6.891 0.793 434 HA PRO 51 HA PRO 51 0.107 11.443 3.544 435 HB2 PRO 51 HB2 PRO 51 -2.103 9.977 3.944 436 HB3 PRO 51 HB3 PRO 51 -2.035 11.240 2.708 437 HG2 PRO 51 HG2 PRO 51 -1.828 8.282 2.409 438 HG3 PRO 51 HG3 PRO 51 -2.631 9.459 1.359 439 HD2 PRO 51 HD2 PRO 51 -0.128 8.367 0.898 440 HD3 PRO 51 HD3 PRO 51 -0.725 9.881 0.203 441 H ASN 52 H ASN 52 0.181 10.927 5.666 442 HA ASN 52 HA ASN 52 1.758 8.664 6.404 443 HB2 ASN 52 HB2 ASN 52 0.352 10.780 8.040 444 HB3 ASN 52 HB3 ASN 52 1.337 9.508 8.752 445 HD21 ASN 52 HD21 ASN 52 3.551 9.565 8.520 446 HD22 ASN 52 HD22 ASN 52 4.390 10.967 7.948 447 H ASP 53 H ASP 53 -1.624 9.439 6.371 448 HA ASP 53 HA ASP 53 -2.608 7.406 8.029 449 HB2 ASP 53 HB2 ASP 53 -3.803 8.730 5.593 450 HB3 ASP 53 HB3 ASP 53 -4.681 7.561 6.572 451 H ARG 54 H ARG 54 -2.102 7.407 4.506 452 HA ARG 54 HA ARG 54 -2.792 4.711 4.100 453 HB2 ARG 54 HB2 ARG 54 -2.564 6.552 2.358 454 HB3 ARG 54 HB3 ARG 54 -0.830 6.285 2.433 455 HG2 ARG 54 HG2 ARG 54 -2.288 3.813 2.024 456 HG3 ARG 54 HG3 ARG 54 -2.636 5.007 0.774 457 HD2 ARG 54 HD2 ARG 54 -0.790 3.768 -0.016 458 HD3 ARG 54 HD3 ARG 54 -0.129 5.301 0.547 459 HE ARG 54 HE ARG 54 -0.010 3.420 2.633 460 HH11 ARG 54 HH11 ARG 54 1.442 4.075 -0.480 461 HH12 ARG 54 HH12 ARG 54 2.938 3.290 -0.096 462 HH21 ARG 54 HH21 ARG 54 1.951 2.378 3.147 463 HH22 ARG 54 HH22 ARG 54 3.228 2.321 1.981 464 H ARG 55 H ARG 55 0.266 6.299 4.801 465 HA ARG 55 HA ARG 55 1.934 4.061 4.537 466 HB2 ARG 55 HB2 ARG 55 2.785 6.345 4.675 467 HB3 ARG 55 HB3 ARG 55 2.204 6.485 6.325 468 HG2 ARG 55 HG2 ARG 55 4.141 4.320 5.676 469 HG3 ARG 55 HG3 ARG 55 4.723 5.981 5.798 470 HD2 ARG 55 HD2 ARG 55 3.854 6.164 8.038 471 HD3 ARG 55 HD3 ARG 55 3.129 4.563 7.922 472 HE ARG 55 HE ARG 55 5.846 4.251 7.463 473 HH11 ARG 55 HH11 ARG 55 3.797 5.387 10.052 474 HH12 ARG 55 HH12 ARG 55 4.846 4.826 11.321 475 HH21 ARG 55 HH21 ARG 55 7.264 3.537 9.137 476 HH22 ARG 55 HH22 ARG 55 6.823 3.794 10.799 477 H LEU 56 H LEU 56 0.162 5.324 7.344 478 HA LEU 56 HA LEU 56 1.179 3.412 9.173 479 HB2 LEU 56 HB2 LEU 56 0.130 5.650 9.716 480 HB3 LEU 56 HB3 LEU 56 -1.424 4.899 9.415 481 HG LEU 56 HG LEU 56 -0.968 3.280 11.233 482 HD11 LEU 56 HD11 LEU 56 1.461 3.304 11.163 483 HD12 LEU 56 HD12 LEU 56 0.879 3.718 12.776 484 HD13 LEU 56 HD13 LEU 56 1.473 4.984 11.703 485 HD21 LEU 56 HD21 LEU 56 -0.750 6.175 12.036 486 HD22 LEU 56 HD22 LEU 56 -1.291 4.849 13.065 487 HD23 LEU 56 HD23 LEU 56 -2.244 5.318 11.657 488 H LEU 57 H LEU 57 -1.826 3.552 7.271 489 HA LEU 57 HA LEU 57 -3.057 1.279 8.327 490 HB2 LEU 57 HB2 LEU 57 -3.298 2.848 5.847 491 HB3 LEU 57 HB3 LEU 57 -3.870 1.196 5.739 492 HG LEU 57 HG LEU 57 -5.405 1.605 7.624 493 HD11 LEU 57 HD11 LEU 57 -4.423 4.449 7.451 494 HD12 LEU 57 HD12 LEU 57 -4.160 3.333 8.790 495 HD13 LEU 57 HD13 LEU 57 -5.790 3.887 8.414 496 HD21 LEU 57 HD21 LEU 57 -5.656 3.583 5.360 497 HD22 LEU 57 HD22 LEU 57 -6.963 3.061 6.426 498 HD23 LEU 57 HD23 LEU 57 -6.192 1.903 5.344 499 H LEU 58 H LEU 58 -0.679 1.589 5.746 500 HA LEU 58 HA LEU 58 -0.656 -1.181 5.073 501 HB2 LEU 58 HB2 LEU 58 1.009 1.197 4.438 502 HB3 LEU 58 HB3 LEU 58 1.754 -0.376 4.227 503 HG LEU 58 HG LEU 58 0.796 0.481 2.136 504 HD11 LEU 58 HD11 LEU 58 -0.617 -1.932 3.250 505 HD12 LEU 58 HD12 LEU 58 0.965 -1.907 2.470 506 HD13 LEU 58 HD13 LEU 58 -0.482 -1.517 1.541 507 HD21 LEU 58 HD21 LEU 58 -1.626 0.627 1.847 508 HD22 LEU 58 HD22 LEU 58 -1.057 1.780 3.054 509 HD23 LEU 58 HD23 LEU 58 -1.857 0.292 3.564 510 H ASP 59 H ASP 59 1.327 0.860 7.163 511 HA ASP 59 HA ASP 59 3.225 -1.065 7.903 512 HB2 ASP 59 HB2 ASP 59 3.309 1.441 8.300 513 HB3 ASP 59 HB3 ASP 59 2.221 1.185 9.659 514 H LYS 60 H LYS 60 -0.028 -0.486 8.941 515 HA LYS 60 HA LYS 60 0.072 -2.030 11.331 516 HB2 LYS 60 HB2 LYS 60 -1.857 -0.427 9.903 517 HB3 LYS 60 HB3 LYS 60 -2.585 -1.923 10.471 518 HG2 LYS 60 HG2 LYS 60 -2.824 -0.076 12.071 519 HG3 LYS 60 HG3 LYS 60 -1.928 -1.443 12.735 520 HD2 LYS 60 HD2 LYS 60 0.178 -0.271 12.299 521 HD3 LYS 60 HD3 LYS 60 -0.721 1.096 11.635 522 HE2 LYS 60 HE2 LYS 60 -0.095 1.578 13.913 523 HE3 LYS 60 HE3 LYS 60 -1.842 1.378 13.809 524 HZ1 LYS 60 HZ1 LYS 60 -1.014 0.254 15.745 525 HZ2 LYS 60 HZ2 LYS 60 0.111 -0.622 14.826 526 HZ3 LYS 60 HZ3 LYS 60 -1.552 -0.914 14.635 527 H ILE 61 H ILE 61 -0.618 -2.809 7.956 528 HA ILE 61 HA ILE 61 -1.628 -5.429 8.720 529 HB ILE 61 HB ILE 61 -1.759 -5.896 6.265 530 HG12 ILE 61 HG12 ILE 61 -1.120 -2.955 5.985 531 HG13 ILE 61 HG13 ILE 61 -0.011 -4.259 5.574 532 HG21 ILE 61 HG21 ILE 61 -3.703 -4.466 5.896 533 HG22 ILE 61 HG22 ILE 61 -3.219 -3.466 7.266 534 HG23 ILE 61 HG23 ILE 61 -3.681 -5.149 7.523 535 HD11 ILE 61 HD11 ILE 61 -1.615 -5.055 3.888 536 HD12 ILE 61 HD12 ILE 61 -1.080 -3.402 3.587 537 HD13 ILE 61 HD13 ILE 61 -2.673 -3.701 4.282 538 H GLY 62 H GLY 62 1.343 -4.136 8.574 539 HA2 GLY 62 HA2 GLY 62 3.227 -5.488 9.132 540 HA3 GLY 62 HA3 GLY 62 2.492 -6.815 8.248 541 H PHE 63 H PHE 63 2.384 -3.806 6.653 542 HA PHE 63 HA PHE 63 3.977 -4.729 4.499 543 HB2 PHE 63 HB2 PHE 63 2.093 -3.026 4.403 544 HB3 PHE 63 HB3 PHE 63 3.218 -1.864 5.090 545 HD1 PHE 63 HD1 PHE 63 2.490 -3.958 2.163 546 HD2 PHE 63 HD2 PHE 63 4.846 -0.787 3.738 547 HE1 PHE 63 HE1 PHE 63 3.233 -3.390 -0.108 548 HE2 PHE 63 HE2 PHE 63 5.602 -0.214 1.466 549 HZ PHE 63 HZ PHE 63 4.793 -1.515 -0.461 550 H VAL 64 H VAL 64 6.044 -5.103 4.771 551 HA VAL 64 HA VAL 64 7.646 -3.683 6.642 552 HB VAL 64 HB VAL 64 7.915 -6.101 6.045 553 HG11 VAL 64 HG11 VAL 64 7.692 -5.942 3.636 554 HG12 VAL 64 HG12 VAL 64 9.226 -6.695 4.075 555 HG13 VAL 64 HG13 VAL 64 9.192 -5.015 3.543 556 HG21 VAL 64 HG21 VAL 64 9.647 -4.952 7.276 557 HG22 VAL 64 HG22 VAL 64 10.360 -4.356 5.776 558 HG23 VAL 64 HG23 VAL 64 10.374 -6.084 6.137 559 H TRP 65 H TRP 65 9.368 -2.272 6.222 560 HA TRP 65 HA TRP 65 9.200 -0.954 3.591 561 HB2 TRP 65 HB2 TRP 65 10.292 0.168 6.182 562 HB3 TRP 65 HB3 TRP 65 10.027 1.051 4.683 563 HD1 TRP 65 HD1 TRP 65 8.264 -0.120 7.797 564 HE1 TRP 65 HE1 TRP 65 5.839 0.740 7.803 565 HE3 TRP 65 HE3 TRP 65 8.043 1.652 3.007 566 HZ2 TRP 65 HZ2 TRP 65 4.072 2.015 6.003 567 HZ3 TRP 65 HZ3 TRP 65 5.946 2.680 2.231 568 HH2 TRP 65 HH2 TRP 65 4.005 2.855 3.699 569 H SER 66 H SER 66 10.859 -3.324 4.631 570 HA SER 66 HA SER 66 12.951 -4.185 4.465 571 HB2 SER 66 HB2 SER 66 13.304 -1.882 2.526 572 HB3 SER 66 HB3 SER 66 14.442 -3.216 2.711 573 HG SER 66 HG SER 66 12.862 -4.637 1.982 574 H LEU 67 H LEU 67 15.391 -2.540 3.975 575 HA LEU 67 HA LEU 67 15.701 -1.492 6.661 576 HB2 LEU 67 HB2 LEU 67 17.644 -1.898 4.393 577 HB3 LEU 67 HB3 LEU 67 18.079 -1.031 5.852 578 HG LEU 67 HG LEU 67 17.447 -3.118 7.143 579 HD11 LEU 67 HD11 LEU 67 17.546 -4.358 4.398 580 HD12 LEU 67 HD12 LEU 67 16.105 -4.184 5.402 581 HD13 LEU 67 HD13 LEU 67 17.429 -5.222 5.932 582 HD21 LEU 67 HD21 LEU 67 19.730 -3.254 5.180 583 HD22 LEU 67 HD22 LEU 67 19.572 -4.239 6.636 584 HD23 LEU 67 HD23 LEU 67 19.754 -2.489 6.769 585 H GLU 68 H GLU 68 17.262 0.616 6.538 586 HA GLU 68 HA GLU 68 17.221 2.856 6.376 587 HB2 GLU 68 HB2 GLU 68 16.377 2.082 3.620 588 HB3 GLU 68 HB3 GLU 68 16.274 3.771 4.099 589 HG2 GLU 68 HG2 GLU 68 18.739 2.048 4.122 590 HG3 GLU 68 HG3 GLU 68 18.373 3.366 3.005 591 H HIS 69 H HIS 69 15.584 2.525 8.080 592 HA HIS 69 HA HIS 69 12.932 3.522 7.339 593 HB2 HIS 69 HB2 HIS 69 14.101 2.660 9.999 594 HB3 HIS 69 HB3 HIS 69 12.469 3.289 9.803 595 HD1 HIS 69 HD1 HIS 69 10.687 1.650 9.160 596 HD2 HIS 69 HD2 HIS 69 14.525 0.127 8.659 597 HE1 HIS 69 HE1 HIS 69 10.387 -0.778 8.577 598 HE2 HIS 69 HE2 HIS 69 12.712 -1.626 8.105 599 H HIS 70 H HIS 70 15.658 4.903 7.316 600 HA HIS 70 HA HIS 70 15.513 6.999 9.255 601 HB2 HIS 70 HB2 HIS 70 17.155 6.712 6.727 602 HB3 HIS 70 HB3 HIS 70 17.335 8.034 7.872 603 HD1 HIS 70 HD1 HIS 70 19.347 7.690 9.240 604 HD2 HIS 70 HD2 HIS 70 17.443 4.089 8.387 605 HE1 HIS 70 HE1 HIS 70 20.721 5.909 10.368 606 HE2 HIS 70 HE2 HIS 70 19.443 3.768 10.000 607 H HIS 71 H HIS 71 15.134 9.237 8.803 608 HA HIS 71 HA HIS 71 12.873 9.753 7.218 609 HB2 HIS 71 HB2 HIS 71 14.848 11.453 8.666 610 HB3 HIS 71 HB3 HIS 71 13.785 12.227 7.495 611 HD1 HIS 71 HD1 HIS 71 11.519 12.853 8.286 612 HD2 HIS 71 HD2 HIS 71 13.354 10.070 10.785 613 HE1 HIS 71 HE1 HIS 71 9.999 12.614 10.278 614 HE2 HIS 71 HE2 HIS 71 11.207 11.059 11.849 615 H HIS 72 H HIS 72 12.807 9.586 5.099 616 HA HIS 72 HA HIS 72 14.789 11.091 3.536 617 HB2 HIS 72 HB2 HIS 72 13.656 8.356 2.906 618 HB3 HIS 72 HB3 HIS 72 14.420 9.371 1.692 619 HD1 HIS 72 HD1 HIS 72 16.989 9.575 1.750 620 HD2 HIS 72 HD2 HIS 72 15.419 7.148 4.745 621 HE1 HIS 72 HE1 HIS 72 18.951 8.330 2.721 622 HE2 HIS 72 HE2 HIS 72 17.940 6.695 4.350 623 H HIS 73 H HIS 73 13.860 12.615 2.357 624 HA HIS 73 HA HIS 73 12.419 13.690 0.957 625 HB2 HIS 73 HB2 HIS 73 10.876 11.112 1.121 626 HB3 HIS 73 HB3 HIS 73 10.219 12.526 0.307 627 HD1 HIS 73 HD1 HIS 73 10.510 12.312 -2.115 628 HD2 HIS 73 HD2 HIS 73 13.732 10.715 -0.031 629 HE1 HIS 73 HE1 HIS 73 12.102 11.479 -3.869 630 HE2 HIS 73 HE2 HIS 73 14.142 10.746 -2.587 631 H HIS 74 H HIS 74 12.071 13.173 4.083 632 HA HIS 74 HA HIS 74 10.039 15.192 4.369 633 HB2 HIS 74 HB2 HIS 74 8.752 13.021 4.155 634 HB3 HIS 74 HB3 HIS 74 9.527 12.493 5.644 635 HD1 HIS 74 HD1 HIS 74 8.941 13.982 7.813 636 HD2 HIS 74 HD2 HIS 74 6.506 14.531 4.495 637 HE1 HIS 74 HE1 HIS 74 6.871 15.116 8.677 638 HE2 HIS 74 HE2 HIS 74 5.471 15.565 6.627 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -10.850 -4.493 -11.805 2 H2 MET 1 H2 MET 1 -11.299 -4.521 -13.438 3 H3 MET 1 H3 MET 1 -10.122 -5.601 -12.865 4 HA MET 1 HA MET 1 -12.135 -6.799 -13.143 5 HB2 MET 1 HB2 MET 1 -10.693 -7.209 -11.109 6 HB3 MET 1 HB3 MET 1 -11.804 -6.197 -10.198 7 HG2 MET 1 HG2 MET 1 -12.301 -8.531 -9.842 8 HG3 MET 1 HG3 MET 1 -13.625 -7.750 -10.709 9 HE1 MET 1 HE1 MET 1 -13.565 -11.430 -12.124 10 HE2 MET 1 HE2 MET 1 -14.507 -10.222 -11.250 11 HE3 MET 1 HE3 MET 1 -13.101 -10.964 -10.489 12 H ASN 2 H ASN 2 -12.738 -4.364 -10.590 13 HA ASN 2 HA ASN 2 -15.397 -3.940 -11.792 14 HB2 ASN 2 HB2 ASN 2 -16.232 -3.333 -9.541 15 HB3 ASN 2 HB3 ASN 2 -15.680 -5.002 -9.613 16 HD21 ASN 2 HD21 ASN 2 -14.047 -5.659 -8.334 17 HD22 ASN 2 HD22 ASN 2 -13.254 -4.640 -7.180 18 H GLN 3 H GLN 3 -16.190 -1.783 -11.766 19 HA GLN 3 HA GLN 3 -14.116 0.264 -11.352 20 HB2 GLN 3 HB2 GLN 3 -16.025 0.100 -13.692 21 HB3 GLN 3 HB3 GLN 3 -14.875 1.395 -13.398 22 HG2 GLN 3 HG2 GLN 3 -14.095 -1.470 -13.859 23 HG3 GLN 3 HG3 GLN 3 -14.182 -0.253 -15.128 24 HE21 GLN 3 HE21 GLN 3 -12.035 -0.354 -15.632 25 HE22 GLN 3 HE22 GLN 3 -10.779 0.226 -14.577 26 H ASN 4 H ASN 4 -14.856 2.310 -10.760 27 HA ASN 4 HA ASN 4 -16.248 3.970 -10.057 28 HB2 ASN 4 HB2 ASN 4 -18.475 2.325 -11.289 29 HB3 ASN 4 HB3 ASN 4 -18.574 4.022 -10.817 30 HD21 ASN 4 HD21 ASN 4 -15.832 4.515 -11.698 31 HD22 ASN 4 HD22 ASN 4 -15.884 4.583 -13.413 32 H LEU 5 H LEU 5 -15.740 1.396 -8.668 33 HA LEU 5 HA LEU 5 -17.964 1.285 -6.780 34 HB2 LEU 5 HB2 LEU 5 -16.947 -0.819 -7.586 35 HB3 LEU 5 HB3 LEU 5 -15.415 -0.336 -6.887 36 HG LEU 5 HG LEU 5 -16.407 -0.422 -4.638 37 HD11 LEU 5 HD11 LEU 5 -18.637 -1.416 -4.336 38 HD12 LEU 5 HD12 LEU 5 -18.876 -1.375 -6.082 39 HD13 LEU 5 HD13 LEU 5 -18.700 0.130 -5.181 40 HD21 LEU 5 HD21 LEU 5 -16.816 -2.929 -6.265 41 HD22 LEU 5 HD22 LEU 5 -16.668 -2.853 -4.509 42 HD23 LEU 5 HD23 LEU 5 -15.302 -2.397 -5.529 43 H GLN 6 H GLN 6 -17.915 2.202 -4.827 44 HA GLN 6 HA GLN 6 -15.782 4.039 -4.236 45 HB2 GLN 6 HB2 GLN 6 -18.221 3.335 -2.595 46 HB3 GLN 6 HB3 GLN 6 -17.177 4.731 -2.366 47 HG2 GLN 6 HG2 GLN 6 -17.850 5.636 -4.495 48 HG3 GLN 6 HG3 GLN 6 -18.813 4.201 -4.834 49 HE21 GLN 6 HE21 GLN 6 -20.709 5.318 -5.049 50 HE22 GLN 6 HE22 GLN 6 -21.531 6.053 -3.704 51 H GLY 7 H GLY 7 -14.719 4.105 -2.105 52 HA2 GLY 7 HA2 GLY 7 -13.490 3.118 -0.423 53 HA3 GLY 7 HA3 GLY 7 -14.558 1.718 -0.534 54 H GLU 8 H GLU 8 -12.687 3.151 -3.148 55 HA GLU 8 HA GLU 8 -11.778 0.659 -4.075 56 HB2 GLU 8 HB2 GLU 8 -12.000 2.625 -5.518 57 HB3 GLU 8 HB3 GLU 8 -10.681 3.413 -4.662 58 HG2 GLU 8 HG2 GLU 8 -9.081 2.045 -5.587 59 HG3 GLU 8 HG3 GLU 8 -10.234 0.756 -5.929 60 H TRP 9 H TRP 9 -10.394 2.967 -1.847 61 HA TRP 9 HA TRP 9 -7.819 1.890 -1.603 62 HB2 TRP 9 HB2 TRP 9 -8.289 3.959 -0.505 63 HB3 TRP 9 HB3 TRP 9 -9.620 3.258 0.404 64 HD1 TRP 9 HD1 TRP 9 -8.936 3.293 2.849 65 HE1 TRP 9 HE1 TRP 9 -6.861 2.607 4.205 66 HE3 TRP 9 HE3 TRP 9 -5.820 2.016 -1.004 67 HZ2 TRP 9 HZ2 TRP 9 -4.253 1.645 3.712 68 HZ3 TRP 9 HZ3 TRP 9 -3.557 1.217 -0.475 69 HH2 TRP 9 HH2 TRP 9 -2.788 1.038 1.832 70 H MET 10 H MET 10 -10.811 1.082 0.126 71 HA MET 10 HA MET 10 -9.755 -0.995 1.704 72 HB2 MET 10 HB2 MET 10 -11.936 0.040 2.146 73 HB3 MET 10 HB3 MET 10 -12.571 -0.633 0.653 74 HG2 MET 10 HG2 MET 10 -12.205 -2.893 1.545 75 HG3 MET 10 HG3 MET 10 -11.638 -2.186 3.057 76 HE1 MET 10 HE1 MET 10 -13.586 0.314 3.332 77 HE2 MET 10 HE2 MET 10 -13.229 -0.744 4.699 78 HE3 MET 10 HE3 MET 10 -14.901 -0.350 4.300 79 H LYS 11 H LYS 11 -11.088 -0.914 -1.529 80 HA LYS 11 HA LYS 11 -11.405 -3.626 -2.018 81 HB2 LYS 11 HB2 LYS 11 -12.284 -1.965 -3.528 82 HB3 LYS 11 HB3 LYS 11 -10.670 -1.382 -3.900 83 HG2 LYS 11 HG2 LYS 11 -10.138 -3.407 -5.065 84 HG3 LYS 11 HG3 LYS 11 -11.652 -4.153 -4.551 85 HD2 LYS 11 HD2 LYS 11 -11.790 -3.377 -6.864 86 HD3 LYS 11 HD3 LYS 11 -12.913 -2.494 -5.827 87 HE2 LYS 11 HE2 LYS 11 -11.216 -0.669 -5.674 88 HE3 LYS 11 HE3 LYS 11 -10.246 -1.539 -6.861 89 HZ1 LYS 11 HZ1 LYS 11 -12.012 -1.316 -8.465 90 HZ2 LYS 11 HZ2 LYS 11 -11.622 0.223 -7.861 91 HZ3 LYS 11 HZ3 LYS 11 -13.017 -0.577 -7.325 92 H ASN 12 H ASN 12 -8.557 -1.595 -2.757 93 HA ASN 12 HA ASN 12 -7.008 -3.905 -3.464 94 HB2 ASN 12 HB2 ASN 12 -5.180 -2.408 -3.827 95 HB3 ASN 12 HB3 ASN 12 -6.623 -1.666 -4.492 96 HD21 ASN 12 HD21 ASN 12 -7.328 0.253 -3.675 97 HD22 ASN 12 HD22 ASN 12 -6.476 1.141 -2.463 98 H TYR 13 H TYR 13 -7.598 -2.066 -0.586 99 HA TYR 13 HA TYR 13 -5.327 -2.682 0.909 100 HB2 TYR 13 HB2 TYR 13 -6.922 -1.020 1.676 101 HB3 TYR 13 HB3 TYR 13 -8.168 -2.250 1.856 102 HD1 TYR 13 HD1 TYR 13 -4.737 -1.432 3.092 103 HD2 TYR 13 HD2 TYR 13 -8.524 -3.165 3.952 104 HE1 TYR 13 HE1 TYR 13 -4.041 -1.779 5.424 105 HE2 TYR 13 HE2 TYR 13 -7.842 -3.515 6.289 106 HH TYR 13 HH TYR 13 -5.738 -3.764 7.586 107 H GLU 14 H GLU 14 -8.384 -4.503 0.622 108 HA GLU 14 HA GLU 14 -7.623 -6.499 2.473 109 HB2 GLU 14 HB2 GLU 14 -9.426 -7.866 1.447 110 HB3 GLU 14 HB3 GLU 14 -9.942 -6.252 1.913 111 HG2 GLU 14 HG2 GLU 14 -9.976 -5.514 -0.332 112 HG3 GLU 14 HG3 GLU 14 -9.124 -6.954 -0.889 113 H GLU 15 H GLU 15 -7.106 -6.157 -0.977 114 HA GLU 15 HA GLU 15 -6.100 -8.785 -1.419 115 HB2 GLU 15 HB2 GLU 15 -7.001 -7.281 -3.203 116 HB3 GLU 15 HB3 GLU 15 -5.579 -6.267 -3.015 117 HG2 GLU 15 HG2 GLU 15 -4.153 -8.105 -3.713 118 HG3 GLU 15 HG3 GLU 15 -5.561 -9.156 -3.861 119 H LEU 16 H LEU 16 -4.756 -5.750 -0.402 120 HA LEU 16 HA LEU 16 -2.002 -6.543 -0.751 121 HB2 LEU 16 HB2 LEU 16 -2.667 -4.212 -1.046 122 HB3 LEU 16 HB3 LEU 16 -3.282 -4.160 0.593 123 HG LEU 16 HG LEU 16 -1.035 -4.376 1.485 124 HD11 LEU 16 HD11 LEU 16 0.911 -4.319 -0.008 125 HD12 LEU 16 HD12 LEU 16 -0.163 -4.460 -1.399 126 HD13 LEU 16 HD13 LEU 16 -0.050 -5.779 -0.236 127 HD21 LEU 16 HD21 LEU 16 -1.267 -2.271 -0.657 128 HD22 LEU 16 HD22 LEU 16 -0.158 -2.231 0.715 129 HD23 LEU 16 HD23 LEU 16 -1.898 -2.161 0.988 130 H LYS 17 H LYS 17 -4.299 -6.068 1.834 131 HA LYS 17 HA LYS 17 -2.773 -6.668 4.065 132 HB2 LYS 17 HB2 LYS 17 -5.058 -5.851 4.171 133 HB3 LYS 17 HB3 LYS 17 -5.656 -7.319 3.421 134 HG2 LYS 17 HG2 LYS 17 -4.910 -8.595 5.364 135 HG3 LYS 17 HG3 LYS 17 -4.377 -7.097 6.127 136 HD2 LYS 17 HD2 LYS 17 -6.636 -6.253 6.157 137 HD3 LYS 17 HD3 LYS 17 -7.206 -7.645 5.235 138 HE2 LYS 17 HE2 LYS 17 -5.987 -7.758 7.990 139 HE3 LYS 17 HE3 LYS 17 -7.714 -7.813 7.641 140 HZ1 LYS 17 HZ1 LYS 17 -7.328 -9.846 6.358 141 HZ2 LYS 17 HZ2 LYS 17 -6.857 -10.023 7.975 142 HZ3 LYS 17 HZ3 LYS 17 -5.683 -9.805 6.773 143 H SER 18 H SER 18 -4.491 -8.816 1.847 144 HA SER 18 HA SER 18 -3.713 -11.220 3.151 145 HB2 SER 18 HB2 SER 18 -4.613 -10.846 0.285 146 HB3 SER 18 HB3 SER 18 -4.649 -12.343 1.216 147 HG SER 18 HG SER 18 -6.218 -10.004 1.567 148 H PHE 19 H PHE 19 -2.357 -9.218 0.615 149 HA PHE 19 HA PHE 19 -0.539 -11.186 -0.374 150 HB2 PHE 19 HB2 PHE 19 -1.410 -9.124 -1.606 151 HB3 PHE 19 HB3 PHE 19 -0.231 -8.202 -0.679 152 HD1 PHE 19 HD2 PHE 19 -0.631 -10.907 -3.152 153 HD2 PHE 19 HD1 PHE 19 2.053 -8.178 -1.288 154 HE1 PHE 19 HE2 PHE 19 1.086 -11.458 -4.823 155 HE2 PHE 19 HE1 PHE 19 3.775 -8.729 -2.957 156 HZ PHE 19 HZ PHE 19 3.292 -10.369 -4.726 157 H VAL 20 H VAL 20 -0.226 -8.450 1.865 158 HA VAL 20 HA VAL 20 2.522 -8.841 2.405 159 HB VAL 20 HB VAL 20 0.356 -7.546 4.065 160 HG11 VAL 20 HG11 VAL 20 3.335 -7.567 4.562 161 HG12 VAL 20 HG12 VAL 20 2.117 -8.367 5.555 162 HG13 VAL 20 HG13 VAL 20 2.148 -6.606 5.445 163 HG21 VAL 20 HG21 VAL 20 1.465 -5.481 3.373 164 HG22 VAL 20 HG22 VAL 20 0.922 -6.417 1.981 165 HG23 VAL 20 HG23 VAL 20 2.625 -6.421 2.436 166 H ARG 21 H ARG 21 -0.415 -10.155 3.865 167 HA ARG 21 HA ARG 21 0.827 -11.593 5.939 168 HB2 ARG 21 HB2 ARG 21 -1.612 -11.073 5.715 169 HB3 ARG 21 HB3 ARG 21 -1.711 -12.266 4.433 170 HG2 ARG 21 HG2 ARG 21 -0.613 -13.175 7.021 171 HG3 ARG 21 HG3 ARG 21 -2.334 -12.785 6.965 172 HD2 ARG 21 HD2 ARG 21 -2.701 -14.785 6.084 173 HD3 ARG 21 HD3 ARG 21 -1.815 -14.278 4.654 174 HE ARG 21 HE ARG 21 0.184 -15.218 5.651 175 HH11 ARG 21 HH11 ARG 21 -2.849 -16.157 7.147 176 HH12 ARG 21 HH12 ARG 21 -2.208 -17.633 7.800 177 HH21 ARG 21 HH21 ARG 21 1.023 -17.137 6.516 178 HH22 ARG 21 HH22 ARG 21 -0.006 -18.194 7.440 179 H LYS 22 H LYS 22 0.607 -12.093 2.548 180 HA LYS 22 HA LYS 22 1.102 -14.905 2.533 181 HB2 LYS 22 HB2 LYS 22 0.914 -12.727 0.498 182 HB3 LYS 22 HB3 LYS 22 1.646 -14.250 0.047 183 HG2 LYS 22 HG2 LYS 22 -0.348 -15.437 0.376 184 HG3 LYS 22 HG3 LYS 22 -1.073 -14.112 1.294 185 HD2 LYS 22 HD2 LYS 22 -1.092 -12.731 -0.727 186 HD3 LYS 22 HD3 LYS 22 -0.371 -14.054 -1.642 187 HE2 LYS 22 HE2 LYS 22 -2.974 -14.334 -0.170 188 HE3 LYS 22 HE3 LYS 22 -2.887 -13.762 -1.835 189 HZ1 LYS 22 HZ1 LYS 22 -1.793 -16.360 -0.907 190 HZ2 LYS 22 HZ2 LYS 22 -1.908 -15.816 -2.507 191 HZ3 LYS 22 HZ3 LYS 22 -3.316 -16.169 -1.625 192 H TYR 23 H TYR 23 3.069 -12.188 1.232 193 HA TYR 23 HA TYR 23 5.440 -13.886 1.736 194 HB2 TYR 23 HB2 TYR 23 5.087 -11.971 -0.578 195 HB3 TYR 23 HB3 TYR 23 6.414 -13.098 -0.329 196 HD1 TYR 23 HD1 TYR 23 5.717 -15.636 -0.203 197 HD2 TYR 23 HD2 TYR 23 3.344 -12.573 -1.966 198 HE1 TYR 23 HE1 TYR 23 4.514 -17.331 -1.516 199 HE2 TYR 23 HE2 TYR 23 2.131 -14.261 -3.283 200 HH TYR 23 HH TYR 23 2.492 -16.535 -4.139 201 H ARG 24 H ARG 24 3.947 -10.940 2.311 202 HA ARG 24 HA ARG 24 4.535 -8.967 3.212 203 HB2 ARG 24 HB2 ARG 24 7.000 -10.526 3.860 204 HB3 ARG 24 HB3 ARG 24 7.028 -8.776 4.042 205 HG2 ARG 24 HG2 ARG 24 6.440 -9.601 6.151 206 HG3 ARG 24 HG3 ARG 24 4.924 -9.041 5.441 207 HD2 ARG 24 HD2 ARG 24 4.215 -11.048 6.156 208 HD3 ARG 24 HD3 ARG 24 4.854 -11.553 4.597 209 HE ARG 24 HE ARG 24 6.733 -11.681 6.806 210 HH11 ARG 24 HH11 ARG 24 4.404 -13.388 4.826 211 HH12 ARG 24 HH12 ARG 24 4.995 -14.965 5.251 212 HH21 ARG 24 HH21 ARG 24 7.492 -13.765 7.399 213 HH22 ARG 24 HH22 ARG 24 6.732 -15.179 6.729 214 H ARG 25 H ARG 25 4.490 -7.445 1.838 215 HA ARG 25 HA ARG 25 5.150 -5.819 0.394 216 HB2 ARG 25 HB2 ARG 25 7.277 -5.991 1.701 217 HB3 ARG 25 HB3 ARG 25 7.863 -7.135 0.511 218 HG2 ARG 25 HG2 ARG 25 7.874 -5.454 -1.188 219 HG3 ARG 25 HG3 ARG 25 7.092 -4.298 -0.100 220 HD2 ARG 25 HD2 ARG 25 8.965 -4.160 1.283 221 HD3 ARG 25 HD3 ARG 25 9.672 -5.624 0.609 222 HE ARG 25 HE ARG 25 9.434 -3.139 -0.962 223 HH11 ARG 25 HH11 ARG 25 11.277 -5.839 0.263 224 HH12 ARG 25 HH12 ARG 25 12.713 -5.447 -0.649 225 HH21 ARG 25 HH21 ARG 25 11.329 -2.613 -2.172 226 HH22 ARG 25 HH22 ARG 25 12.740 -3.620 -2.024 227 H PHE 26 H PHE 26 6.400 -5.721 -1.943 228 HA PHE 26 HA PHE 26 5.318 -8.011 -3.433 229 HB2 PHE 26 HB2 PHE 26 6.175 -5.432 -4.707 230 HB3 PHE 26 HB3 PHE 26 4.994 -6.605 -5.272 231 HD1 PHE 26 HD2 PHE 26 2.741 -6.650 -4.313 232 HD2 PHE 26 HD1 PHE 26 5.596 -3.700 -3.203 233 HE1 PHE 26 HE2 PHE 26 0.941 -5.263 -3.372 234 HE2 PHE 26 HE1 PHE 26 3.805 -2.310 -2.261 235 HZ PHE 26 HZ PHE 26 1.480 -3.090 -2.349 236 HA PRO 27 HA PRO 27 9.852 -8.643 -4.133 237 HB2 PRO 27 HB2 PRO 27 9.056 -11.463 -4.231 238 HB3 PRO 27 HB3 PRO 27 10.282 -10.689 -3.225 239 HG2 PRO 27 HG2 PRO 27 7.980 -11.640 -2.197 240 HG3 PRO 27 HG3 PRO 27 8.785 -10.202 -1.541 241 HD2 PRO 27 HD2 PRO 27 6.425 -10.380 -3.379 242 HD3 PRO 27 HD3 PRO 27 6.689 -9.307 -1.985 243 H LYS 28 H LYS 28 6.924 -9.950 -5.497 244 HA LYS 28 HA LYS 28 8.126 -10.459 -8.087 245 HB2 LYS 28 HB2 LYS 28 5.657 -11.027 -8.642 246 HB3 LYS 28 HB3 LYS 28 6.550 -12.101 -7.573 247 HG2 LYS 28 HG2 LYS 28 5.461 -11.261 -5.657 248 HG3 LYS 28 HG3 LYS 28 4.796 -9.891 -6.543 249 HD2 LYS 28 HD2 LYS 28 3.050 -11.487 -6.156 250 HD3 LYS 28 HD3 LYS 28 3.433 -11.473 -7.873 251 HE2 LYS 28 HE2 LYS 28 4.697 -13.475 -6.036 252 HE3 LYS 28 HE3 LYS 28 3.074 -13.736 -6.672 253 HZ1 LYS 28 HZ1 LYS 28 4.105 -13.354 -8.934 254 HZ2 LYS 28 HZ2 LYS 28 4.501 -14.808 -8.153 255 HZ3 LYS 28 HZ3 LYS 28 5.617 -13.534 -8.175 256 H SER 29 H SER 29 5.361 -8.539 -6.912 257 HA SER 29 HA SER 29 4.392 -6.616 -7.610 258 HB2 SER 29 HB2 SER 29 6.944 -6.180 -9.185 259 HB3 SER 29 HB3 SER 29 5.696 -4.969 -8.893 260 HG SER 29 HG SER 29 7.344 -6.245 -6.964 261 H THR 30 H THR 30 3.773 -5.416 -9.771 262 HA THR 30 HA THR 30 2.661 -5.458 -11.721 263 HB THR 30 HB THR 30 4.222 -7.765 -12.759 264 HG1 THR 30 HG1 THR 30 5.375 -5.215 -12.129 265 HG21 THR 30 HG21 THR 30 3.581 -4.984 -13.729 266 HG22 THR 30 HG22 THR 30 2.779 -6.476 -14.225 267 HG23 THR 30 HG23 THR 30 4.465 -6.193 -14.660 268 H GLU 31 H GLU 31 1.445 -6.998 -9.660 269 HA GLU 31 HA GLU 31 -0.105 -8.815 -11.334 270 HB2 GLU 31 HB2 GLU 31 1.259 -9.591 -8.769 271 HB3 GLU 31 HB3 GLU 31 -0.176 -10.432 -9.336 272 HG2 GLU 31 HG2 GLU 31 1.007 -10.965 -11.435 273 HG3 GLU 31 HG3 GLU 31 2.454 -10.197 -10.785 274 H GLY 32 H GLY 32 -2.249 -8.879 -10.868 275 HA2 GLY 32 HA2 GLY 32 -4.255 -8.471 -9.842 276 HA3 GLY 32 HA3 GLY 32 -3.373 -8.280 -8.337 277 H ASN 33 H ASN 33 -5.012 -6.634 -7.925 278 HA ASN 33 HA ASN 33 -5.007 -4.193 -9.412 279 HB2 ASN 33 HB2 ASN 33 -5.920 -4.783 -6.583 280 HB3 ASN 33 HB3 ASN 33 -6.175 -3.252 -7.409 281 HD21 ASN 33 HD21 ASN 33 -7.180 -6.527 -7.062 282 HD22 ASN 33 HD22 ASN 33 -8.568 -6.427 -8.097 283 H LEU 34 H LEU 34 -3.086 -5.611 -6.968 284 HA LEU 34 HA LEU 34 -1.850 -3.317 -5.893 285 HB2 LEU 34 HB2 LEU 34 -0.830 -6.144 -6.142 286 HB3 LEU 34 HB3 LEU 34 -0.105 -4.895 -5.151 287 HG LEU 34 HG LEU 34 -2.867 -6.057 -4.789 288 HD11 LEU 34 HD11 LEU 34 -1.102 -7.591 -4.136 289 HD12 LEU 34 HD12 LEU 34 -1.952 -6.974 -2.717 290 HD13 LEU 34 HD13 LEU 34 -0.361 -6.336 -3.141 291 HD21 LEU 34 HD21 LEU 34 -2.789 -3.691 -4.181 292 HD22 LEU 34 HD22 LEU 34 -1.397 -3.999 -3.143 293 HD23 LEU 34 HD23 LEU 34 -2.961 -4.714 -2.755 294 H GLY 35 H GLY 35 -1.199 -5.257 -8.746 295 HA2 GLY 35 HA2 GLY 35 1.254 -4.265 -9.544 296 HA3 GLY 35 HA3 GLY 35 -0.044 -4.690 -10.651 297 H GLY 36 H GLY 36 -1.931 -2.756 -9.927 298 HA2 GLY 36 HA2 GLY 36 -0.810 -0.410 -11.197 299 HA3 GLY 36 HA3 GLY 36 -2.484 -0.633 -10.708 300 H TRP 37 H TRP 37 -1.809 -1.400 -8.026 301 HA TRP 37 HA TRP 37 -1.989 0.990 -6.634 302 HB2 TRP 37 HB2 TRP 37 -2.459 -1.363 -5.830 303 HB3 TRP 37 HB3 TRP 37 -0.725 -1.541 -5.585 304 HD1 TRP 37 HD1 TRP 37 -3.621 0.701 -4.395 305 HE1 TRP 37 HE1 TRP 37 -3.106 1.459 -2.011 306 HE3 TRP 37 HE3 TRP 37 1.022 -1.356 -3.873 307 HZ2 TRP 37 HZ2 TRP 37 -1.016 1.227 -0.130 308 HZ3 TRP 37 HZ3 TRP 37 2.217 -1.031 -1.746 309 HH2 TRP 37 HH2 TRP 37 1.216 0.234 0.083 310 H CYS 38 H CYS 38 0.888 -1.081 -7.017 311 HA CYS 38 HA CYS 38 2.609 0.670 -5.623 312 HB2 CYS 38 HB2 CYS 38 4.424 -0.766 -6.660 313 HB3 CYS 38 HB3 CYS 38 3.218 -1.615 -5.701 314 HG CYS 38 HG CYS 38 1.874 -2.732 -7.794 315 H HIS 39 H HIS 39 1.686 0.443 -8.986 316 HA HIS 39 HA HIS 39 3.856 1.915 -10.060 317 HB2 HIS 39 HB2 HIS 39 1.211 1.017 -11.051 318 HB3 HIS 39 HB3 HIS 39 1.949 2.375 -11.891 319 HD1 HIS 39 HD1 HIS 39 2.109 -1.286 -11.551 320 HD2 HIS 39 HD2 HIS 39 4.467 1.755 -13.129 321 HE1 HIS 39 HE1 HIS 39 3.771 -2.425 -13.055 322 HE2 HIS 39 HE2 HIS 39 5.059 -0.551 -14.145 323 H THR 40 H THR 40 0.719 2.882 -8.780 324 HA THR 40 HA THR 40 0.905 5.604 -9.626 325 HB THR 40 HB THR 40 -0.726 4.507 -7.322 326 HG1 THR 40 HG1 THR 40 -1.174 4.451 -10.135 327 HG21 THR 40 HG21 THR 40 -2.255 6.344 -7.869 328 HG22 THR 40 HG22 THR 40 -1.160 6.879 -9.142 329 HG23 THR 40 HG23 THR 40 -0.652 6.948 -7.455 330 H GLN 41 H GLN 41 1.614 3.914 -6.592 331 HA GLN 41 HA GLN 41 2.356 6.363 -5.283 332 HB2 GLN 41 HB2 GLN 41 2.303 3.491 -4.442 333 HB3 GLN 41 HB3 GLN 41 3.031 4.737 -3.426 334 HG2 GLN 41 HG2 GLN 41 1.042 5.745 -2.984 335 HG3 GLN 41 HG3 GLN 41 0.325 5.248 -4.516 336 HE21 GLN 41 HE21 GLN 41 -0.568 3.239 -4.705 337 HE22 GLN 41 HE22 GLN 41 -0.992 2.291 -3.333 338 H ARG 42 H ARG 42 3.904 4.165 -7.294 339 HA ARG 42 HA ARG 42 6.580 4.282 -6.549 340 HB2 ARG 42 HB2 ARG 42 5.537 3.018 -8.480 341 HB3 ARG 42 HB3 ARG 42 5.497 4.533 -9.364 342 HG2 ARG 42 HG2 ARG 42 7.380 3.305 -10.107 343 HG3 ARG 42 HG3 ARG 42 7.979 4.644 -9.127 344 HD2 ARG 42 HD2 ARG 42 8.643 3.275 -7.411 345 HD3 ARG 42 HD3 ARG 42 7.463 2.025 -7.810 346 HE ARG 42 HE ARG 42 8.909 1.535 -9.786 347 HH11 ARG 42 HH11 ARG 42 10.259 3.077 -6.947 348 HH12 ARG 42 HH12 ARG 42 11.861 2.484 -7.221 349 HH21 ARG 42 HH21 ARG 42 11.018 0.722 -10.148 350 HH22 ARG 42 HH22 ARG 42 12.291 1.137 -9.046 351 H LYS 43 H LYS 43 4.458 6.648 -7.899 352 HA LYS 43 HA LYS 43 6.537 8.603 -8.405 353 HB2 LYS 43 HB2 LYS 43 4.787 8.656 -9.987 354 HB3 LYS 43 HB3 LYS 43 3.543 8.537 -8.746 355 HG2 LYS 43 HG2 LYS 43 4.231 10.813 -7.964 356 HG3 LYS 43 HG3 LYS 43 5.271 10.917 -9.387 357 HD2 LYS 43 HD2 LYS 43 3.412 10.808 -10.860 358 HD3 LYS 43 HD3 LYS 43 2.320 10.347 -9.549 359 HE2 LYS 43 HE2 LYS 43 2.559 12.507 -8.524 360 HE3 LYS 43 HE3 LYS 43 3.784 12.968 -9.698 361 HZ1 LYS 43 HZ1 LYS 43 1.689 13.947 -10.290 362 HZ2 LYS 43 HZ2 LYS 43 0.909 12.449 -10.242 363 HZ3 LYS 43 HZ3 LYS 43 2.060 12.765 -11.442 364 H MET 44 H MET 44 3.622 8.426 -6.371 365 HA MET 44 HA MET 44 3.875 10.878 -5.112 366 HB2 MET 44 HB2 MET 44 2.682 8.492 -3.726 367 HB3 MET 44 HB3 MET 44 2.167 10.171 -3.660 368 HG2 MET 44 HG2 MET 44 1.857 8.261 -5.955 369 HG3 MET 44 HG3 MET 44 0.582 8.905 -4.923 370 HE1 MET 44 HE1 MET 44 -0.595 9.375 -7.352 371 HE2 MET 44 HE2 MET 44 0.879 8.867 -8.177 372 HE3 MET 44 HE3 MET 44 0.135 10.417 -8.574 373 H ARG 45 H ARG 45 5.351 7.813 -4.333 374 HA ARG 45 HA ARG 45 5.924 8.252 -1.638 375 HB2 ARG 45 HB2 ARG 45 6.140 6.094 -2.949 376 HB3 ARG 45 HB3 ARG 45 7.665 6.696 -3.556 377 HG2 ARG 45 HG2 ARG 45 7.092 6.344 -0.626 378 HG3 ARG 45 HG3 ARG 45 7.789 5.079 -1.633 379 HD2 ARG 45 HD2 ARG 45 8.991 7.814 -1.220 380 HD3 ARG 45 HD3 ARG 45 9.468 6.363 -0.342 381 HE ARG 45 HE ARG 45 9.673 5.867 -3.095 382 HH11 ARG 45 HH11 ARG 45 11.180 7.813 -0.609 383 HH12 ARG 45 HH12 ARG 45 12.756 7.783 -1.356 384 HH21 ARG 45 HH21 ARG 45 11.754 5.823 -4.094 385 HH22 ARG 45 HH22 ARG 45 13.087 6.626 -3.319 386 H LYS 46 H LYS 46 7.930 8.977 -4.492 387 HA LYS 46 HA LYS 46 10.036 10.003 -2.822 388 HB2 LYS 46 HB2 LYS 46 11.281 10.268 -4.843 389 HB3 LYS 46 HB3 LYS 46 10.463 8.721 -4.916 390 HG2 LYS 46 HG2 LYS 46 8.755 9.713 -6.375 391 HG3 LYS 46 HG3 LYS 46 9.627 11.248 -6.323 392 HD2 LYS 46 HD2 LYS 46 11.630 10.033 -7.227 393 HD3 LYS 46 HD3 LYS 46 10.588 8.630 -7.471 394 HE2 LYS 46 HE2 LYS 46 9.133 10.011 -8.911 395 HE3 LYS 46 HE3 LYS 46 10.256 11.356 -8.715 396 HZ1 LYS 46 HZ1 LYS 46 10.795 10.309 -10.744 397 HZ2 LYS 46 HZ2 LYS 46 10.747 8.764 -10.060 398 HZ3 LYS 46 HZ3 LYS 46 11.998 9.828 -9.649 399 H GLN 47 H GLN 47 7.240 11.240 -4.277 400 HA GLN 47 HA GLN 47 8.294 13.967 -4.324 401 HB2 GLN 47 HB2 GLN 47 5.985 12.596 -5.611 402 HB3 GLN 47 HB3 GLN 47 5.848 14.318 -5.293 403 HG2 GLN 47 HG2 GLN 47 7.861 14.734 -6.583 404 HG3 GLN 47 HG3 GLN 47 8.060 13.006 -6.853 405 HE21 GLN 47 HE21 GLN 47 8.018 13.322 -9.076 406 HE22 GLN 47 HE22 GLN 47 6.547 13.658 -9.934 407 H GLY 48 H GLY 48 7.046 12.036 -2.079 408 HA2 GLY 48 HA2 GLY 48 6.082 12.422 -0.028 409 HA3 GLY 48 HA3 GLY 48 6.375 14.131 -0.316 410 H LYS 49 H LYS 49 4.461 12.216 -2.486 411 HA LYS 49 HA LYS 49 2.126 13.873 -1.833 412 HB2 LYS 49 HB2 LYS 49 2.616 12.109 -4.241 413 HB3 LYS 49 HB3 LYS 49 1.265 13.208 -4.021 414 HG2 LYS 49 HG2 LYS 49 4.087 14.210 -4.025 415 HG3 LYS 49 HG3 LYS 49 3.211 13.927 -5.527 416 HD2 LYS 49 HD2 LYS 49 2.941 16.219 -5.000 417 HD3 LYS 49 HD3 LYS 49 1.406 15.432 -4.642 418 HE2 LYS 49 HE2 LYS 49 1.966 15.396 -2.268 419 HE3 LYS 49 HE3 LYS 49 3.528 16.141 -2.615 420 HZ1 LYS 49 HZ1 LYS 49 0.899 17.392 -3.211 421 HZ2 LYS 49 HZ2 LYS 49 2.426 18.109 -3.381 422 HZ3 LYS 49 HZ3 LYS 49 1.838 17.731 -1.836 423 H LEU 50 H LEU 50 3.412 10.914 -1.200 424 HA LEU 50 HA LEU 50 1.241 9.138 -1.365 425 HB2 LEU 50 HB2 LEU 50 3.909 9.249 -0.291 426 HB3 LEU 50 HB3 LEU 50 2.847 8.463 0.860 427 HG LEU 50 HG LEU 50 3.326 7.615 -1.997 428 HD11 LEU 50 HD11 LEU 50 4.440 5.696 -0.988 429 HD12 LEU 50 HD12 LEU 50 4.163 6.370 0.619 430 HD13 LEU 50 HD13 LEU 50 5.223 7.205 -0.519 431 HD21 LEU 50 HD21 LEU 50 2.037 5.634 -1.426 432 HD22 LEU 50 HD22 LEU 50 1.058 7.095 -1.281 433 HD23 LEU 50 HD23 LEU 50 1.690 6.310 0.167 434 HA PRO 51 HA PRO 51 -1.251 10.659 2.039 435 HB2 PRO 51 HB2 PRO 51 -2.935 8.568 2.309 436 HB3 PRO 51 HB3 PRO 51 -3.027 9.687 0.946 437 HG2 PRO 51 HG2 PRO 51 -1.790 6.970 1.085 438 HG3 PRO 51 HG3 PRO 51 -2.786 7.682 -0.198 439 HD2 PRO 51 HD2 PRO 51 -0.069 7.537 -0.315 440 HD3 PRO 51 HD3 PRO 51 -1.011 8.807 -1.114 441 H ASN 52 H ASN 52 -1.690 10.294 4.210 442 HA ASN 52 HA ASN 52 0.476 9.078 5.606 443 HB2 ASN 52 HB2 ASN 52 -2.042 10.417 6.595 444 HB3 ASN 52 HB3 ASN 52 -0.755 9.851 7.654 445 HD21 ASN 52 HD21 ASN 52 1.233 10.918 7.643 446 HD22 ASN 52 HD22 ASN 52 1.418 12.495 6.956 447 H ASP 53 H ASP 53 -3.041 8.436 5.619 448 HA ASP 53 HA ASP 53 -3.030 6.381 7.505 449 HB2 ASP 53 HB2 ASP 53 -4.859 6.674 5.119 450 HB3 ASP 53 HB3 ASP 53 -5.158 5.623 6.493 451 H ARG 54 H ARG 54 -2.352 6.318 4.095 452 HA ARG 54 HA ARG 54 -2.531 3.594 3.571 453 HB2 ARG 54 HB2 ARG 54 -2.147 5.583 1.973 454 HB3 ARG 54 HB3 ARG 54 -0.443 5.405 2.355 455 HG2 ARG 54 HG2 ARG 54 -2.130 3.189 1.216 456 HG3 ARG 54 HG3 ARG 54 -1.201 4.317 0.231 457 HD2 ARG 54 HD2 ARG 54 -0.103 2.425 2.305 458 HD3 ARG 54 HD3 ARG 54 0.018 2.241 0.557 459 HE ARG 54 HE ARG 54 1.125 4.713 1.355 460 HH11 ARG 54 HH11 ARG 54 1.759 1.280 1.373 461 HH12 ARG 54 HH12 ARG 54 3.481 1.457 1.417 462 HH21 ARG 54 HH21 ARG 54 3.405 4.970 1.416 463 HH22 ARG 54 HH22 ARG 54 4.420 3.566 1.438 464 H ARG 55 H ARG 55 0.186 5.501 4.870 465 HA ARG 55 HA ARG 55 2.016 3.329 4.883 466 HB2 ARG 55 HB2 ARG 55 2.811 5.651 5.066 467 HB3 ARG 55 HB3 ARG 55 2.025 5.796 6.638 468 HG2 ARG 55 HG2 ARG 55 3.449 3.729 7.267 469 HG3 ARG 55 HG3 ARG 55 4.413 4.177 5.862 470 HD2 ARG 55 HD2 ARG 55 4.726 6.417 6.852 471 HD3 ARG 55 HD3 ARG 55 3.848 5.881 8.282 472 HE ARG 55 HE ARG 55 5.630 4.129 8.487 473 HH11 ARG 55 HH11 ARG 55 6.274 7.258 7.028 474 HH12 ARG 55 HH12 ARG 55 7.995 7.123 7.224 475 HH21 ARG 55 HH21 ARG 55 7.892 3.958 8.725 476 HH22 ARG 55 HH22 ARG 55 8.914 5.256 8.166 477 H LEU 56 H LEU 56 -0.160 4.683 7.324 478 HA LEU 56 HA LEU 56 0.903 3.167 9.448 479 HB2 LEU 56 HB2 LEU 56 -1.597 4.769 9.061 480 HB3 LEU 56 HB3 LEU 56 -1.418 3.769 10.486 481 HG LEU 56 HG LEU 56 -0.769 5.998 11.056 482 HD11 LEU 56 HD11 LEU 56 1.557 5.652 11.765 483 HD12 LEU 56 HD12 LEU 56 1.655 4.243 10.711 484 HD13 LEU 56 HD13 LEU 56 0.544 4.242 12.079 485 HD21 LEU 56 HD21 LEU 56 1.046 7.177 9.923 486 HD22 LEU 56 HD22 LEU 56 -0.288 6.842 8.819 487 HD23 LEU 56 HD23 LEU 56 1.175 5.861 8.756 488 H LEU 57 H LEU 57 -1.836 2.679 7.274 489 HA LEU 57 HA LEU 57 -2.805 0.330 8.521 490 HB2 LEU 57 HB2 LEU 57 -3.250 1.723 5.949 491 HB3 LEU 57 HB3 LEU 57 -3.647 0.018 5.980 492 HG LEU 57 HG LEU 57 -5.147 0.433 7.917 493 HD11 LEU 57 HD11 LEU 57 -5.793 2.740 8.436 494 HD12 LEU 57 HD12 LEU 57 -4.510 3.329 7.379 495 HD13 LEU 57 HD13 LEU 57 -4.106 2.415 8.833 496 HD21 LEU 57 HD21 LEU 57 -6.034 0.366 5.650 497 HD22 LEU 57 HD22 LEU 57 -5.727 2.093 5.469 498 HD23 LEU 57 HD23 LEU 57 -6.916 1.528 6.643 499 H LEU 58 H LEU 58 -0.425 0.885 5.975 500 HA LEU 58 HA LEU 58 0.025 -1.850 5.376 501 HB2 LEU 58 HB2 LEU 58 1.393 0.718 4.825 502 HB3 LEU 58 HB3 LEU 58 2.398 -0.717 4.767 503 HG LEU 58 HG LEU 58 1.502 -0.025 2.553 504 HD11 LEU 58 HD11 LEU 58 0.576 -2.706 3.568 505 HD12 LEU 58 HD12 LEU 58 2.176 -2.322 2.933 506 HD13 LEU 58 HD13 LEU 58 0.767 -2.260 1.872 507 HD21 LEU 58 HD21 LEU 58 -0.842 -0.434 2.037 508 HD22 LEU 58 HD22 LEU 58 -0.676 0.805 3.282 509 HD23 LEU 58 HD23 LEU 58 -1.155 -0.835 3.725 510 H ASP 59 H ASP 59 1.357 0.376 7.731 511 HA ASP 59 HA ASP 59 3.432 -1.263 8.705 512 HB2 ASP 59 HB2 ASP 59 3.287 1.136 9.201 513 HB3 ASP 59 HB3 ASP 59 1.821 0.865 10.136 514 H LYS 60 H LYS 60 0.006 -1.056 9.457 515 HA LYS 60 HA LYS 60 0.127 -2.654 11.801 516 HB2 LYS 60 HB2 LYS 60 -1.926 -1.321 10.197 517 HB3 LYS 60 HB3 LYS 60 -2.472 -2.805 10.960 518 HG2 LYS 60 HG2 LYS 60 -2.934 -0.867 12.353 519 HG3 LYS 60 HG3 LYS 60 -1.794 -1.958 13.141 520 HD2 LYS 60 HD2 LYS 60 0.062 -0.504 12.398 521 HD3 LYS 60 HD3 LYS 60 -1.118 0.600 11.686 522 HE2 LYS 60 HE2 LYS 60 -1.017 -0.153 14.607 523 HE3 LYS 60 HE3 LYS 60 -0.305 1.308 13.925 524 HZ1 LYS 60 HZ1 LYS 60 -2.570 1.563 14.935 525 HZ2 LYS 60 HZ2 LYS 60 -3.184 0.651 13.641 526 HZ3 LYS 60 HZ3 LYS 60 -2.416 2.135 13.346 527 H ILE 61 H ILE 61 -0.367 -3.384 8.395 528 HA ILE 61 HA ILE 61 -1.117 -6.112 9.003 529 HB ILE 61 HB ILE 61 -1.055 -6.483 6.548 530 HG12 ILE 61 HG12 ILE 61 -0.461 -3.515 6.434 531 HG13 ILE 61 HG13 ILE 61 0.638 -4.802 5.949 532 HG21 ILE 61 HG21 ILE 61 -3.045 -5.140 6.064 533 HG22 ILE 61 HG22 ILE 61 -2.716 -4.149 7.484 534 HG23 ILE 61 HG23 ILE 61 -3.112 -5.857 7.674 535 HD11 ILE 61 HD11 ILE 61 -2.001 -4.137 4.664 536 HD12 ILE 61 HD12 ILE 61 -0.932 -5.456 4.183 537 HD13 ILE 61 HD13 ILE 61 -0.399 -3.782 4.018 538 H GLY 62 H GLY 62 1.767 -4.369 8.646 539 HA2 GLY 62 HA2 GLY 62 3.781 -5.358 9.447 540 HA3 GLY 62 HA3 GLY 62 3.214 -6.913 8.864 541 H PHE 63 H PHE 63 3.184 -3.943 6.980 542 HA PHE 63 HA PHE 63 4.697 -5.171 4.878 543 HB2 PHE 63 HB2 PHE 63 2.916 -3.516 4.432 544 HB3 PHE 63 HB3 PHE 63 3.863 -2.284 5.254 545 HD1 PHE 63 HD1 PHE 63 3.732 -4.474 2.290 546 HD2 PHE 63 HD2 PHE 63 5.586 -1.120 4.139 547 HE1 PHE 63 HE1 PHE 63 4.806 -3.897 0.157 548 HE2 PHE 63 HE2 PHE 63 6.668 -0.537 2.006 549 HZ PHE 63 HZ PHE 63 6.278 -1.928 0.009 550 H VAL 64 H VAL 64 6.810 -5.175 4.591 551 HA VAL 64 HA VAL 64 8.475 -3.843 6.541 552 HB VAL 64 HB VAL 64 8.847 -6.215 6.035 553 HG11 VAL 64 HG11 VAL 64 9.640 -5.272 3.284 554 HG12 VAL 64 HG12 VAL 64 8.216 -6.232 3.685 555 HG13 VAL 64 HG13 VAL 64 9.829 -6.913 3.905 556 HG21 VAL 64 HG21 VAL 64 10.699 -4.870 6.859 557 HG22 VAL 64 HG22 VAL 64 11.138 -4.443 5.206 558 HG23 VAL 64 HG23 VAL 64 11.272 -6.115 5.750 559 H TRP 65 H TRP 65 9.811 -2.180 6.150 560 HA TRP 65 HA TRP 65 9.576 -0.899 3.516 561 HB2 TRP 65 HB2 TRP 65 10.409 0.254 6.184 562 HB3 TRP 65 HB3 TRP 65 10.200 1.164 4.693 563 HD1 TRP 65 HD1 TRP 65 8.242 -0.392 7.549 564 HE1 TRP 65 HE1 TRP 65 5.781 0.335 7.385 565 HE3 TRP 65 HE3 TRP 65 8.368 1.856 2.958 566 HZ2 TRP 65 HZ2 TRP 65 4.113 1.681 5.552 567 HZ3 TRP 65 HZ3 TRP 65 6.298 2.839 2.074 568 HH2 TRP 65 HH2 TRP 65 4.214 2.756 3.343 569 H SER 66 H SER 66 11.401 -3.037 3.834 570 HA SER 66 HA SER 66 14.040 -1.877 4.106 571 HB2 SER 66 HB2 SER 66 14.788 -4.219 3.567 572 HB3 SER 66 HB3 SER 66 13.741 -4.099 4.983 573 HG SER 66 HG SER 66 12.789 -4.703 2.378 574 H LEU 67 H LEU 67 14.789 -0.686 2.457 575 HA LEU 67 HA LEU 67 14.038 -1.379 -0.277 576 HB2 LEU 67 HB2 LEU 67 15.409 1.006 0.935 577 HB3 LEU 67 HB3 LEU 67 15.417 0.734 -0.795 578 HG LEU 67 HG LEU 67 12.882 0.738 -0.683 579 HD11 LEU 67 HD11 LEU 67 13.419 1.888 2.051 580 HD12 LEU 67 HD12 LEU 67 12.630 0.348 1.709 581 HD13 LEU 67 HD13 LEU 67 11.860 1.859 1.228 582 HD21 LEU 67 HD21 LEU 67 14.372 3.241 0.088 583 HD22 LEU 67 HD22 LEU 67 12.768 3.184 -0.642 584 HD23 LEU 67 HD23 LEU 67 14.168 2.609 -1.545 585 H GLU 68 H GLU 68 15.215 -3.094 -0.940 586 HA GLU 68 HA GLU 68 18.117 -3.021 -0.583 587 HB2 GLU 68 HB2 GLU 68 18.154 -5.311 -1.253 588 HB3 GLU 68 HB3 GLU 68 16.808 -5.135 -0.141 589 HG2 GLU 68 HG2 GLU 68 16.519 -5.137 -3.134 590 HG3 GLU 68 HG3 GLU 68 16.363 -6.571 -2.124 591 H HIS 69 H HIS 69 15.620 -2.720 -2.978 592 HA HIS 69 HA HIS 69 17.424 -2.681 -5.220 593 HB2 HIS 69 HB2 HIS 69 14.487 -2.043 -4.926 594 HB3 HIS 69 HB3 HIS 69 15.353 -1.825 -6.442 595 HD1 HIS 69 HD1 HIS 69 14.178 -4.503 -4.079 596 HD2 HIS 69 HD2 HIS 69 15.819 -4.147 -7.884 597 HE1 HIS 69 HE1 HIS 69 13.946 -6.774 -5.133 598 HE2 HIS 69 HE2 HIS 69 14.748 -6.477 -7.504 599 H HIS 70 H HIS 70 18.846 -1.068 -5.265 600 HA HIS 70 HA HIS 70 17.856 1.671 -4.807 601 HB2 HIS 70 HB2 HIS 70 20.689 0.609 -4.684 602 HB3 HIS 70 HB3 HIS 70 20.224 2.290 -4.437 603 HD1 HIS 70 HD1 HIS 70 18.562 2.673 -2.298 604 HD2 HIS 70 HD2 HIS 70 20.717 -0.883 -2.412 605 HE1 HIS 70 HE1 HIS 70 18.509 1.770 0.047 606 HE2 HIS 70 HE2 HIS 70 19.772 -0.410 -0.050 607 H HIS 71 H HIS 71 19.848 3.080 -6.119 608 HA HIS 71 HA HIS 71 19.681 2.085 -8.876 609 HB2 HIS 71 HB2 HIS 71 18.942 4.842 -7.907 610 HB3 HIS 71 HB3 HIS 71 19.316 4.496 -9.591 611 HD1 HIS 71 HD1 HIS 71 17.755 2.297 -10.486 612 HD2 HIS 71 HD2 HIS 71 16.301 4.751 -7.460 613 HE1 HIS 71 HE1 HIS 71 15.268 1.943 -10.459 614 HE2 HIS 71 HE2 HIS 71 14.400 3.647 -8.825 615 H HIS 72 H HIS 72 21.680 1.774 -9.528 616 HA HIS 72 HA HIS 72 23.717 3.786 -8.913 617 HB2 HIS 72 HB2 HIS 72 23.801 1.013 -10.041 618 HB3 HIS 72 HB3 HIS 72 25.085 2.138 -10.472 619 HD1 HIS 72 HD1 HIS 72 24.284 -0.334 -8.018 620 HD2 HIS 72 HD2 HIS 72 26.279 3.319 -7.998 621 HE1 HIS 72 HE1 HIS 72 25.664 -0.321 -5.912 622 HE2 HIS 72 HE2 HIS 72 26.957 1.845 -5.981 623 H HIS 73 H HIS 73 24.287 5.310 -10.351 624 HA HIS 73 HA HIS 73 22.473 5.785 -12.491 625 HB2 HIS 73 HB2 HIS 73 23.593 7.583 -11.124 626 HB3 HIS 73 HB3 HIS 73 25.088 7.217 -11.983 627 HD1 HIS 73 HD1 HIS 73 24.918 7.536 -14.699 628 HD2 HIS 73 HD2 HIS 73 21.995 9.382 -12.380 629 HE1 HIS 73 HE1 HIS 73 23.858 9.255 -16.186 630 HE2 HIS 73 HE2 HIS 73 22.219 10.475 -14.717 631 H HIS 74 H HIS 74 22.558 5.041 -14.471 632 HA HIS 74 HA HIS 74 25.026 3.895 -15.501 633 HB2 HIS 74 HB2 HIS 74 22.246 4.048 -16.695 634 HB3 HIS 74 HB3 HIS 74 23.612 3.224 -17.437 635 HD1 HIS 74 HD1 HIS 74 21.349 3.002 -14.418 636 HD2 HIS 74 HD2 HIS 74 24.060 0.661 -16.529 637 HE1 HIS 74 HE1 HIS 74 21.128 0.685 -13.467 638 HE2 HIS 74 HE2 HIS 74 22.636 -0.749 -14.891 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -13.625 -10.190 -5.938 2 H2 MET 1 H2 MET 1 -14.494 -11.549 -6.463 3 H3 MET 1 H3 MET 1 -14.831 -10.858 -4.954 4 HA MET 1 HA MET 1 -16.526 -10.246 -6.535 5 HB2 MET 1 HB2 MET 1 -15.242 -8.564 -4.835 6 HB3 MET 1 HB3 MET 1 -14.986 -7.717 -6.355 7 HG2 MET 1 HG2 MET 1 -17.627 -8.490 -5.136 8 HG3 MET 1 HG3 MET 1 -16.950 -6.868 -5.261 9 HE1 MET 1 HE1 MET 1 -19.227 -5.999 -6.337 10 HE2 MET 1 HE2 MET 1 -19.901 -7.623 -6.201 11 HE3 MET 1 HE3 MET 1 -19.996 -6.756 -7.733 12 H ASN 2 H ASN 2 -16.918 -10.298 -8.644 13 HA ASN 2 HA ASN 2 -14.710 -10.184 -10.499 14 HB2 ASN 2 HB2 ASN 2 -17.636 -10.833 -10.770 15 HB3 ASN 2 HB3 ASN 2 -16.601 -10.664 -12.183 16 HD21 ASN 2 HD21 ASN 2 -16.974 -12.815 -12.725 17 HD22 ASN 2 HD22 ASN 2 -16.198 -14.116 -11.876 18 H GLN 3 H GLN 3 -17.229 -8.050 -9.483 19 HA GLN 3 HA GLN 3 -17.036 -6.441 -11.911 20 HB2 GLN 3 HB2 GLN 3 -19.273 -6.938 -11.004 21 HB3 GLN 3 HB3 GLN 3 -18.841 -6.136 -9.500 22 HG2 GLN 3 HG2 GLN 3 -18.491 -4.041 -10.814 23 HG3 GLN 3 HG3 GLN 3 -19.149 -4.887 -12.214 24 HE21 GLN 3 HE21 GLN 3 -20.110 -2.536 -10.776 25 HE22 GLN 3 HE22 GLN 3 -21.734 -2.905 -10.288 26 H ASN 4 H ASN 4 -16.252 -4.371 -11.978 27 HA ASN 4 HA ASN 4 -14.802 -3.398 -9.635 28 HB2 ASN 4 HB2 ASN 4 -14.925 -2.331 -12.470 29 HB3 ASN 4 HB3 ASN 4 -13.926 -1.665 -11.184 30 HD21 ASN 4 HD21 ASN 4 -12.054 -2.714 -10.577 31 HD22 ASN 4 HD22 ASN 4 -11.393 -4.040 -11.486 32 H LEU 5 H LEU 5 -15.189 -1.216 -8.839 33 HA LEU 5 HA LEU 5 -17.672 0.078 -9.586 34 HB2 LEU 5 HB2 LEU 5 -18.325 -1.794 -8.050 35 HB3 LEU 5 HB3 LEU 5 -17.325 -1.066 -6.809 36 HG LEU 5 HG LEU 5 -18.780 0.973 -6.938 37 HD11 LEU 5 HD11 LEU 5 -20.518 -0.833 -8.612 38 HD12 LEU 5 HD12 LEU 5 -19.688 0.619 -9.173 39 HD13 LEU 5 HD13 LEU 5 -20.977 0.746 -7.975 40 HD21 LEU 5 HD21 LEU 5 -19.052 -0.694 -5.182 41 HD22 LEU 5 HD22 LEU 5 -20.133 -1.621 -6.220 42 HD23 LEU 5 HD23 LEU 5 -20.605 -0.018 -5.662 43 H GLN 6 H GLN 6 -17.867 2.196 -8.676 44 HA GLN 6 HA GLN 6 -15.501 3.537 -7.967 45 HB2 GLN 6 HB2 GLN 6 -18.380 4.308 -7.438 46 HB3 GLN 6 HB3 GLN 6 -17.007 5.380 -7.216 47 HG2 GLN 6 HG2 GLN 6 -16.492 5.141 -9.624 48 HG3 GLN 6 HG3 GLN 6 -17.960 4.179 -9.799 49 HE21 GLN 6 HE21 GLN 6 -19.966 5.170 -9.584 50 HE22 GLN 6 HE22 GLN 6 -20.152 6.891 -9.700 51 H GLY 7 H GLY 7 -14.367 3.374 -6.171 52 HA2 GLY 7 HA2 GLY 7 -14.290 3.492 -3.721 53 HA3 GLY 7 HA3 GLY 7 -15.763 2.522 -3.705 54 H GLU 8 H GLU 8 -12.787 2.235 -5.563 55 HA GLU 8 HA GLU 8 -12.809 -0.625 -5.122 56 HB2 GLU 8 HB2 GLU 8 -12.452 0.402 -7.372 57 HB3 GLU 8 HB3 GLU 8 -10.918 1.032 -6.792 58 HG2 GLU 8 HG2 GLU 8 -9.984 -1.111 -6.608 59 HG3 GLU 8 HG3 GLU 8 -11.559 -1.893 -6.735 60 H TRP 9 H TRP 9 -11.352 2.099 -3.738 61 HA TRP 9 HA TRP 9 -8.867 1.157 -2.901 62 HB2 TRP 9 HB2 TRP 9 -9.392 3.431 -2.464 63 HB3 TRP 9 HB3 TRP 9 -10.864 3.011 -1.602 64 HD1 TRP 9 HD1 TRP 9 -10.572 3.619 0.841 65 HE1 TRP 9 HE1 TRP 9 -8.720 3.378 2.612 66 HE3 TRP 9 HE3 TRP 9 -6.915 1.592 -2.093 67 HZ2 TRP 9 HZ2 TRP 9 -6.047 2.444 2.740 68 HZ3 TRP 9 HZ3 TRP 9 -4.746 1.052 -1.075 69 HH2 TRP 9 HH2 TRP 9 -4.321 1.469 1.290 70 H MET 10 H MET 10 -12.028 0.837 -1.312 71 HA MET 10 HA MET 10 -11.253 -0.687 0.877 72 HB2 MET 10 HB2 MET 10 -13.509 0.282 0.536 73 HB3 MET 10 HB3 MET 10 -13.828 -0.935 -0.688 74 HG2 MET 10 HG2 MET 10 -14.897 -1.717 1.230 75 HG3 MET 10 HG3 MET 10 -13.413 -2.658 1.130 76 HE1 MET 10 HE1 MET 10 -11.529 -2.640 2.885 77 HE2 MET 10 HE2 MET 10 -11.275 -1.351 4.060 78 HE3 MET 10 HE3 MET 10 -11.109 -1.019 2.334 79 H LYS 11 H LYS 11 -12.023 -1.710 -2.415 80 HA LYS 11 HA LYS 11 -12.012 -4.487 -1.881 81 HB2 LYS 11 HB2 LYS 11 -13.043 -3.380 -3.893 82 HB3 LYS 11 HB3 LYS 11 -11.417 -3.132 -4.518 83 HG2 LYS 11 HG2 LYS 11 -11.122 -5.645 -4.314 84 HG3 LYS 11 HG3 LYS 11 -12.868 -5.718 -4.072 85 HD2 LYS 11 HD2 LYS 11 -12.443 -6.099 -6.383 86 HD3 LYS 11 HD3 LYS 11 -13.129 -4.483 -6.232 87 HE2 LYS 11 HE2 LYS 11 -10.942 -3.492 -6.424 88 HE3 LYS 11 HE3 LYS 11 -10.182 -5.079 -6.434 89 HZ1 LYS 11 HZ1 LYS 11 -11.464 -5.529 -8.515 90 HZ2 LYS 11 HZ2 LYS 11 -10.287 -4.317 -8.664 91 HZ3 LYS 11 HZ3 LYS 11 -11.921 -3.896 -8.525 92 H ASN 12 H ASN 12 -9.614 -2.352 -3.404 93 HA ASN 12 HA ASN 12 -7.597 -4.271 -3.693 94 HB2 ASN 12 HB2 ASN 12 -7.423 -1.267 -3.428 95 HB3 ASN 12 HB3 ASN 12 -6.057 -2.292 -3.846 96 HD21 ASN 12 HD21 ASN 12 -7.149 -0.189 -5.420 97 HD22 ASN 12 HD22 ASN 12 -7.695 -0.889 -6.903 98 H TYR 13 H TYR 13 -8.496 -2.239 -0.987 99 HA TYR 13 HA TYR 13 -6.177 -2.597 0.561 100 HB2 TYR 13 HB2 TYR 13 -7.960 -0.905 1.002 101 HB3 TYR 13 HB3 TYR 13 -9.005 -2.206 1.560 102 HD1 TYR 13 HD1 TYR 13 -5.473 -1.140 2.194 103 HD2 TYR 13 HD2 TYR 13 -9.214 -2.296 3.852 104 HE1 TYR 13 HE1 TYR 13 -4.543 -0.887 4.457 105 HE2 TYR 13 HE2 TYR 13 -8.295 -2.043 6.120 106 HH TYR 13 HH TYR 13 -6.109 -2.072 7.237 107 H GLU 14 H GLU 14 -9.167 -4.480 0.303 108 HA GLU 14 HA GLU 14 -8.588 -6.347 2.328 109 HB2 GLU 14 HB2 GLU 14 -10.255 -6.643 -0.177 110 HB3 GLU 14 HB3 GLU 14 -10.217 -7.818 1.131 111 HG2 GLU 14 HG2 GLU 14 -11.105 -4.951 1.377 112 HG3 GLU 14 HG3 GLU 14 -12.169 -6.350 1.251 113 H GLU 15 H GLU 15 -7.896 -6.371 -1.154 114 HA GLU 15 HA GLU 15 -6.533 -8.823 -1.269 115 HB2 GLU 15 HB2 GLU 15 -6.597 -6.353 -2.910 116 HB3 GLU 15 HB3 GLU 15 -5.183 -7.375 -3.107 117 HG2 GLU 15 HG2 GLU 15 -6.791 -7.937 -4.773 118 HG3 GLU 15 HG3 GLU 15 -6.666 -9.269 -3.627 119 H LEU 16 H LEU 16 -5.354 -5.542 -0.714 120 HA LEU 16 HA LEU 16 -2.628 -6.042 -0.567 121 HB2 LEU 16 HB2 LEU 16 -3.670 -3.819 -0.712 122 HB3 LEU 16 HB3 LEU 16 -4.240 -3.984 0.937 123 HG LEU 16 HG LEU 16 -1.796 -4.194 1.610 124 HD11 LEU 16 HD11 LEU 16 -0.168 -3.221 0.079 125 HD12 LEU 16 HD12 LEU 16 -1.409 -3.087 -1.168 126 HD13 LEU 16 HD13 LEU 16 -0.891 -4.676 -0.604 127 HD21 LEU 16 HD21 LEU 16 -3.144 -2.217 2.029 128 HD22 LEU 16 HD22 LEU 16 -2.777 -1.611 0.415 129 HD23 LEU 16 HD23 LEU 16 -1.489 -1.778 1.609 130 H LYS 17 H LYS 17 -4.968 -5.849 2.110 131 HA LYS 17 HA LYS 17 -3.312 -6.309 4.268 132 HB2 LYS 17 HB2 LYS 17 -6.106 -7.373 3.824 133 HB3 LYS 17 HB3 LYS 17 -5.292 -7.304 5.378 134 HG2 LYS 17 HG2 LYS 17 -5.451 -4.995 5.500 135 HG3 LYS 17 HG3 LYS 17 -5.693 -4.825 3.758 136 HD2 LYS 17 HD2 LYS 17 -7.787 -4.429 4.812 137 HD3 LYS 17 HD3 LYS 17 -7.883 -6.004 4.035 138 HE2 LYS 17 HE2 LYS 17 -7.382 -7.058 6.221 139 HE3 LYS 17 HE3 LYS 17 -7.427 -5.462 6.968 140 HZ1 LYS 17 HZ1 LYS 17 -9.537 -6.516 7.262 141 HZ2 LYS 17 HZ2 LYS 17 -9.668 -6.854 5.609 142 HZ3 LYS 17 HZ3 LYS 17 -9.736 -5.250 6.151 143 H SER 18 H SER 18 -5.082 -8.714 2.389 144 HA SER 18 HA SER 18 -4.101 -10.964 3.750 145 HB2 SER 18 HB2 SER 18 -6.131 -10.890 2.265 146 HB3 SER 18 HB3 SER 18 -5.042 -10.879 0.879 147 HG SER 18 HG SER 18 -5.620 -12.932 2.684 148 H PHE 19 H PHE 19 -2.979 -9.365 0.777 149 HA PHE 19 HA PHE 19 -1.130 -11.438 0.147 150 HB2 PHE 19 HB2 PHE 19 -2.220 -9.655 -1.408 151 HB3 PHE 19 HB3 PHE 19 -0.856 -8.652 -0.924 152 HD1 PHE 19 HD2 PHE 19 -1.831 -11.782 -2.607 153 HD2 PHE 19 HD1 PHE 19 1.330 -9.047 -1.793 154 HE1 PHE 19 HE2 PHE 19 -0.443 -12.885 -4.312 155 HE2 PHE 19 HE1 PHE 19 2.723 -10.148 -3.500 156 HZ PHE 19 HZ PHE 19 1.835 -12.067 -4.761 157 H VAL 20 H VAL 20 -0.733 -8.208 1.632 158 HA VAL 20 HA VAL 20 2.076 -8.440 1.930 159 HB VAL 20 HB VAL 20 0.114 -6.744 3.482 160 HG11 VAL 20 HG11 VAL 20 3.127 -6.593 3.382 161 HG12 VAL 20 HG12 VAL 20 2.160 -7.095 4.769 162 HG13 VAL 20 HG13 VAL 20 2.061 -5.436 4.181 163 HG21 VAL 20 HG21 VAL 20 0.935 -4.940 2.041 164 HG22 VAL 20 HG22 VAL 20 0.203 -6.237 1.097 165 HG23 VAL 20 HG23 VAL 20 1.959 -6.091 1.187 166 H ARG 21 H ARG 21 -0.636 -9.307 4.036 167 HA ARG 21 HA ARG 21 0.846 -10.048 6.298 168 HB2 ARG 21 HB2 ARG 21 -1.628 -9.827 6.226 169 HB3 ARG 21 HB3 ARG 21 -1.718 -11.289 5.262 170 HG2 ARG 21 HG2 ARG 21 -0.442 -11.347 7.967 171 HG3 ARG 21 HG3 ARG 21 -2.197 -11.391 7.802 172 HD2 ARG 21 HD2 ARG 21 -1.945 -13.349 6.293 173 HD3 ARG 21 HD3 ARG 21 -0.216 -13.338 6.626 174 HE ARG 21 HE ARG 21 -2.262 -13.762 8.715 175 HH11 ARG 21 HH11 ARG 21 0.856 -14.447 7.275 176 HH12 ARG 21 HH12 ARG 21 1.215 -15.757 8.361 177 HH21 ARG 21 HH21 ARG 21 -1.789 -15.493 10.147 178 HH22 ARG 21 HH22 ARG 21 -0.279 -16.337 9.995 179 H LYS 22 H LYS 22 0.344 -11.622 3.246 180 HA LYS 22 HA LYS 22 1.321 -14.184 4.079 181 HB2 LYS 22 HB2 LYS 22 0.266 -12.953 1.625 182 HB3 LYS 22 HB3 LYS 22 1.483 -14.184 1.355 183 HG2 LYS 22 HG2 LYS 22 -0.777 -15.097 1.262 184 HG3 LYS 22 HG3 LYS 22 0.154 -15.805 2.580 185 HD2 LYS 22 HD2 LYS 22 -1.011 -14.561 4.205 186 HD3 LYS 22 HD3 LYS 22 -1.686 -13.466 2.996 187 HE2 LYS 22 HE2 LYS 22 -3.361 -15.052 3.808 188 HE3 LYS 22 HE3 LYS 22 -3.040 -15.272 2.091 189 HZ1 LYS 22 HZ1 LYS 22 -3.181 -17.386 3.233 190 HZ2 LYS 22 HZ2 LYS 22 -1.930 -16.939 4.288 191 HZ3 LYS 22 HZ3 LYS 22 -1.614 -17.151 2.634 192 H TYR 23 H TYR 23 2.591 -11.802 1.702 193 HA TYR 23 HA TYR 23 5.222 -13.084 2.079 194 HB2 TYR 23 HB2 TYR 23 4.111 -11.789 -0.418 195 HB3 TYR 23 HB3 TYR 23 5.693 -12.550 -0.268 196 HD1 TYR 23 HD1 TYR 23 5.796 -15.025 0.238 197 HD2 TYR 23 HD2 TYR 23 2.196 -13.068 -0.895 198 HE1 TYR 23 HE1 TYR 23 4.800 -17.198 -0.334 199 HE2 TYR 23 HE2 TYR 23 1.191 -15.235 -1.468 200 HH TYR 23 HH TYR 23 1.801 -17.465 -2.015 201 H ARG 24 H ARG 24 3.685 -10.304 2.823 202 HA ARG 24 HA ARG 24 4.371 -8.273 3.572 203 HB2 ARG 24 HB2 ARG 24 7.160 -9.406 3.300 204 HB3 ARG 24 HB3 ARG 24 6.719 -7.959 4.195 205 HG2 ARG 24 HG2 ARG 24 5.958 -10.796 4.821 206 HG3 ARG 24 HG3 ARG 24 7.012 -9.730 5.752 207 HD2 ARG 24 HD2 ARG 24 5.049 -8.213 6.067 208 HD3 ARG 24 HD3 ARG 24 4.050 -9.449 5.313 209 HE ARG 24 HE ARG 24 4.451 -10.885 7.160 210 HH11 ARG 24 HH11 ARG 24 5.773 -7.675 7.578 211 HH12 ARG 24 HH12 ARG 24 5.814 -7.774 9.308 212 HH21 ARG 24 HH21 ARG 24 4.486 -11.019 9.450 213 HH22 ARG 24 HH22 ARG 24 5.049 -9.657 10.378 214 H ARG 25 H ARG 25 4.528 -9.115 0.572 215 HA ARG 25 HA ARG 25 5.050 -6.619 -0.583 216 HB2 ARG 25 HB2 ARG 25 7.172 -7.052 -1.743 217 HB3 ARG 25 HB3 ARG 25 7.409 -7.092 -0.001 218 HG2 ARG 25 HG2 ARG 25 7.424 -9.512 -0.025 219 HG3 ARG 25 HG3 ARG 25 7.079 -9.520 -1.753 220 HD2 ARG 25 HD2 ARG 25 9.210 -8.430 -2.200 221 HD3 ARG 25 HD3 ARG 25 9.549 -8.358 -0.470 222 HE ARG 25 HE ARG 25 9.237 -10.956 -0.740 223 HH11 ARG 25 HH11 ARG 25 10.994 -8.726 -2.797 224 HH12 ARG 25 HH12 ARG 25 12.098 -9.932 -3.375 225 HH21 ARG 25 HH21 ARG 25 10.668 -12.547 -1.516 226 HH22 ARG 25 HH22 ARG 25 11.915 -12.109 -2.654 227 H PHE 26 H PHE 26 5.427 -6.946 -3.072 228 HA PHE 26 HA PHE 26 3.860 -9.275 -3.962 229 HB2 PHE 26 HB2 PHE 26 4.531 -6.877 -5.656 230 HB3 PHE 26 HB3 PHE 26 3.210 -8.023 -5.853 231 HD1 PHE 26 HD2 PHE 26 1.304 -7.974 -4.215 232 HD2 PHE 26 HD1 PHE 26 4.283 -4.940 -4.378 233 HE1 PHE 26 HE2 PHE 26 -0.170 -6.463 -2.956 234 HE2 PHE 26 HE1 PHE 26 2.813 -3.426 -3.117 235 HZ PHE 26 HZ PHE 26 0.588 -4.189 -2.410 236 HA PRO 27 HA PRO 27 8.231 -10.313 -4.905 237 HB2 PRO 27 HB2 PRO 27 7.810 -13.013 -5.067 238 HB3 PRO 27 HB3 PRO 27 8.119 -12.152 -3.556 239 HG2 PRO 27 HG2 PRO 27 5.520 -13.061 -4.724 240 HG3 PRO 27 HG3 PRO 27 6.076 -13.117 -3.040 241 HD2 PRO 27 HD2 PRO 27 4.369 -11.226 -3.923 242 HD3 PRO 27 HD3 PRO 27 5.580 -10.893 -2.667 243 H LYS 28 H LYS 28 5.497 -11.944 -6.498 244 HA LYS 28 HA LYS 28 7.026 -12.457 -8.881 245 HB2 LYS 28 HB2 LYS 28 4.038 -12.688 -8.493 246 HB3 LYS 28 HB3 LYS 28 4.997 -13.438 -9.758 247 HG2 LYS 28 HG2 LYS 28 6.109 -14.835 -8.090 248 HG3 LYS 28 HG3 LYS 28 5.141 -14.075 -6.821 249 HD2 LYS 28 HD2 LYS 28 4.091 -15.685 -9.149 250 HD3 LYS 28 HD3 LYS 28 4.165 -16.209 -7.464 251 HE2 LYS 28 HE2 LYS 28 2.586 -14.505 -6.818 252 HE3 LYS 28 HE3 LYS 28 2.601 -13.823 -8.444 253 HZ1 LYS 28 HZ1 LYS 28 0.647 -15.170 -8.114 254 HZ2 LYS 28 HZ2 LYS 28 1.592 -16.513 -7.684 255 HZ3 LYS 28 HZ3 LYS 28 1.653 -15.901 -9.268 256 H SER 29 H SER 29 4.739 -10.088 -7.772 257 HA SER 29 HA SER 29 3.812 -8.233 -8.663 258 HB2 SER 29 HB2 SER 29 6.231 -7.769 -9.309 259 HB3 SER 29 HB3 SER 29 5.847 -8.427 -10.898 260 HG SER 29 HG SER 29 4.867 -6.090 -9.648 261 H THR 30 H THR 30 3.516 -7.594 -11.454 262 HA THR 30 HA THR 30 1.986 -7.836 -13.077 263 HB THR 30 HB THR 30 1.637 -10.051 -14.133 264 HG1 THR 30 HG1 THR 30 2.954 -10.911 -11.828 265 HG21 THR 30 HG21 THR 30 4.508 -9.322 -13.582 266 HG22 THR 30 HG22 THR 30 3.477 -8.628 -14.832 267 HG23 THR 30 HG23 THR 30 3.943 -10.327 -14.917 268 H GLU 31 H GLU 31 1.288 -8.738 -10.028 269 HA GLU 31 HA GLU 31 -1.348 -9.713 -10.293 270 HB2 GLU 31 HB2 GLU 31 0.132 -8.180 -8.185 271 HB3 GLU 31 HB3 GLU 31 -1.618 -8.262 -8.086 272 HG2 GLU 31 HG2 GLU 31 -0.666 -9.966 -6.709 273 HG3 GLU 31 HG3 GLU 31 -1.483 -10.715 -8.074 274 H GLY 32 H GLY 32 -3.187 -8.700 -10.914 275 HA2 GLY 32 HA2 GLY 32 -3.051 -6.493 -12.569 276 HA3 GLY 32 HA3 GLY 32 -4.530 -7.092 -11.847 277 H ASN 33 H ASN 33 -4.904 -6.365 -9.544 278 HA ASN 33 HA ASN 33 -4.926 -3.525 -9.625 279 HB2 ASN 33 HB2 ASN 33 -6.150 -3.648 -7.512 280 HB3 ASN 33 HB3 ASN 33 -6.801 -4.775 -8.691 281 HD21 ASN 33 HD21 ASN 33 -7.088 -4.767 -5.836 282 HD22 ASN 33 HD22 ASN 33 -6.469 -6.282 -5.273 283 H LEU 34 H LEU 34 -3.195 -5.850 -7.576 284 HA LEU 34 HA LEU 34 -2.106 -3.809 -5.895 285 HB2 LEU 34 HB2 LEU 34 -1.360 -6.705 -6.181 286 HB3 LEU 34 HB3 LEU 34 -0.790 -5.636 -4.923 287 HG LEU 34 HG LEU 34 -3.672 -6.428 -5.357 288 HD11 LEU 34 HD11 LEU 34 -2.379 -8.299 -4.556 289 HD12 LEU 34 HD12 LEU 34 -3.390 -7.675 -3.251 290 HD13 LEU 34 HD13 LEU 34 -1.666 -7.303 -3.286 291 HD21 LEU 34 HD21 LEU 34 -4.083 -5.321 -3.224 292 HD22 LEU 34 HD22 LEU 34 -3.439 -4.187 -4.408 293 HD23 LEU 34 HD23 LEU 34 -2.393 -4.827 -3.142 294 H GLY 35 H GLY 35 -0.915 -5.588 -8.681 295 HA2 GLY 35 HA2 GLY 35 1.824 -5.006 -8.418 296 HA3 GLY 35 HA3 GLY 35 0.997 -5.367 -9.928 297 H GLY 36 H GLY 36 -0.802 -3.241 -9.965 298 HA2 GLY 36 HA2 GLY 36 0.953 -1.098 -10.791 299 HA3 GLY 36 HA3 GLY 36 -0.798 -1.126 -10.941 300 H TRP 37 H TRP 37 -1.116 -1.843 -8.095 301 HA TRP 37 HA TRP 37 -1.534 0.683 -6.994 302 HB2 TRP 37 HB2 TRP 37 -2.472 -1.590 -6.238 303 HB3 TRP 37 HB3 TRP 37 -0.983 -1.750 -5.310 304 HD1 TRP 37 HD1 TRP 37 -4.078 0.498 -5.581 305 HE1 TRP 37 HE1 TRP 37 -4.395 1.714 -3.352 306 HE3 TRP 37 HE3 TRP 37 0.162 -1.058 -3.188 307 HZ2 TRP 37 HZ2 TRP 37 -3.047 1.963 -0.879 308 HZ3 TRP 37 HZ3 TRP 37 0.568 -0.292 -0.890 309 HH2 TRP 37 HH2 TRP 37 -1.003 1.190 0.240 310 H CYS 38 H CYS 38 1.053 -1.649 -6.194 311 HA CYS 38 HA CYS 38 2.433 0.085 -4.456 312 HB2 CYS 38 HB2 CYS 38 4.363 -1.502 -4.831 313 HB3 CYS 38 HB3 CYS 38 2.863 -2.251 -4.295 314 HG CYS 38 HG CYS 38 2.214 -3.445 -6.632 315 H HIS 39 H HIS 39 2.809 -0.567 -7.906 316 HA HIS 39 HA HIS 39 5.185 0.907 -8.264 317 HB2 HIS 39 HB2 HIS 39 3.058 -0.087 -10.135 318 HB3 HIS 39 HB3 HIS 39 4.375 0.916 -10.728 319 HD1 HIS 39 HD1 HIS 39 3.840 -2.177 -11.416 320 HD2 HIS 39 HD2 HIS 39 6.676 -0.663 -8.773 321 HE1 HIS 39 HE1 HIS 39 5.615 -3.945 -11.238 322 HE2 HIS 39 HE2 HIS 39 7.390 -2.951 -9.747 323 H THR 40 H THR 40 1.839 1.862 -8.177 324 HA THR 40 HA THR 40 2.370 4.493 -9.249 325 HB THR 40 HB THR 40 -0.133 3.465 -7.891 326 HG1 THR 40 HG1 THR 40 0.107 2.213 -9.684 327 HG21 THR 40 HG21 THR 40 -1.256 5.272 -9.122 328 HG22 THR 40 HG22 THR 40 0.303 5.814 -9.743 329 HG23 THR 40 HG23 THR 40 -0.035 5.906 -8.017 330 H GLN 41 H GLN 41 1.803 3.017 -6.091 331 HA GLN 41 HA GLN 41 1.647 5.436 -4.630 332 HB2 GLN 41 HB2 GLN 41 1.773 2.573 -4.029 333 HB3 GLN 41 HB3 GLN 41 2.517 3.591 -2.801 334 HG2 GLN 41 HG2 GLN 41 0.065 3.026 -2.511 335 HG3 GLN 41 HG3 GLN 41 0.524 4.718 -2.356 336 HE21 GLN 41 HE21 GLN 41 -1.107 2.356 -4.323 337 HE22 GLN 41 HE22 GLN 41 -1.951 3.487 -5.322 338 H ARG 42 H ARG 42 4.348 3.438 -5.624 339 HA ARG 42 HA ARG 42 6.363 4.404 -3.988 340 HB2 ARG 42 HB2 ARG 42 6.681 2.584 -5.610 341 HB3 ARG 42 HB3 ARG 42 6.539 3.730 -6.933 342 HG2 ARG 42 HG2 ARG 42 8.864 3.148 -6.506 343 HG3 ARG 42 HG3 ARG 42 8.566 4.860 -6.196 344 HD2 ARG 42 HD2 ARG 42 8.439 4.434 -3.816 345 HD3 ARG 42 HD3 ARG 42 8.634 2.707 -4.092 346 HE ARG 42 HE ARG 42 10.773 4.449 -5.044 347 HH11 ARG 42 HH11 ARG 42 9.613 2.204 -2.625 348 HH12 ARG 42 HH12 ARG 42 11.180 1.940 -1.921 349 HH21 ARG 42 HH21 ARG 42 12.853 4.101 -4.137 350 HH22 ARG 42 HH22 ARG 42 13.015 3.011 -2.790 351 H LYS 43 H LYS 43 4.916 5.840 -6.839 352 HA LYS 43 HA LYS 43 6.755 7.985 -7.077 353 HB2 LYS 43 HB2 LYS 43 5.578 7.270 -9.013 354 HB3 LYS 43 HB3 LYS 43 4.023 7.427 -8.215 355 HG2 LYS 43 HG2 LYS 43 5.508 9.928 -8.332 356 HG3 LYS 43 HG3 LYS 43 5.143 9.245 -9.919 357 HD2 LYS 43 HD2 LYS 43 3.137 9.715 -7.715 358 HD3 LYS 43 HD3 LYS 43 3.371 10.750 -9.119 359 HE2 LYS 43 HE2 LYS 43 2.596 7.841 -9.242 360 HE3 LYS 43 HE3 LYS 43 1.460 9.184 -9.349 361 HZ1 LYS 43 HZ1 LYS 43 2.416 9.887 -11.375 362 HZ2 LYS 43 HZ2 LYS 43 2.175 8.215 -11.517 363 HZ3 LYS 43 HZ3 LYS 43 3.728 8.827 -11.227 364 H MET 44 H MET 44 3.600 7.595 -5.506 365 HA MET 44 HA MET 44 3.223 10.271 -4.707 366 HB2 MET 44 HB2 MET 44 2.439 7.871 -3.048 367 HB3 MET 44 HB3 MET 44 1.655 9.441 -3.108 368 HG2 MET 44 HG2 MET 44 1.693 7.371 -5.281 369 HG3 MET 44 HG3 MET 44 0.335 7.788 -4.240 370 HE1 MET 44 HE1 MET 44 -0.849 7.862 -6.763 371 HE2 MET 44 HE2 MET 44 0.752 7.678 -7.483 372 HE3 MET 44 HE3 MET 44 -0.309 8.993 -8.007 373 H ARG 45 H ARG 45 5.006 7.609 -3.269 374 HA ARG 45 HA ARG 45 5.490 8.926 -0.792 375 HB2 ARG 45 HB2 ARG 45 5.526 6.425 -1.213 376 HB3 ARG 45 HB3 ARG 45 7.108 6.646 -1.925 377 HG2 ARG 45 HG2 ARG 45 6.435 7.457 0.892 378 HG3 ARG 45 HG3 ARG 45 7.078 5.874 0.464 379 HD2 ARG 45 HD2 ARG 45 9.152 6.673 0.439 380 HD3 ARG 45 HD3 ARG 45 8.698 7.932 -0.709 381 HE ARG 45 HE ARG 45 7.779 8.794 1.741 382 HH11 ARG 45 HH11 ARG 45 10.888 8.051 0.296 383 HH12 ARG 45 HH12 ARG 45 11.763 9.106 1.364 384 HH21 ARG 45 HH21 ARG 45 8.941 10.185 3.119 385 HH22 ARG 45 HH22 ARG 45 10.670 10.297 2.959 386 H LYS 46 H LYS 46 7.556 8.406 -3.683 387 HA LYS 46 HA LYS 46 9.779 9.783 -2.646 388 HB2 LYS 46 HB2 LYS 46 10.563 9.909 -4.948 389 HB3 LYS 46 HB3 LYS 46 9.923 8.315 -4.608 390 HG2 LYS 46 HG2 LYS 46 7.979 8.715 -5.864 391 HG3 LYS 46 HG3 LYS 46 8.295 10.447 -5.946 392 HD2 LYS 46 HD2 LYS 46 10.241 10.037 -7.353 393 HD3 LYS 46 HD3 LYS 46 9.975 8.296 -7.233 394 HE2 LYS 46 HE2 LYS 46 7.919 8.446 -8.425 395 HE3 LYS 46 HE3 LYS 46 7.929 10.206 -8.342 396 HZ1 LYS 46 HZ1 LYS 46 8.606 9.244 -10.525 397 HZ2 LYS 46 HZ2 LYS 46 9.999 8.632 -9.771 398 HZ3 LYS 46 HZ3 LYS 46 9.738 10.302 -9.841 399 H GLN 47 H GLN 47 6.808 10.864 -4.018 400 HA GLN 47 HA GLN 47 7.730 13.582 -4.397 401 HB2 GLN 47 HB2 GLN 47 5.224 12.072 -4.949 402 HB3 GLN 47 HB3 GLN 47 5.106 13.814 -4.782 403 HG2 GLN 47 HG2 GLN 47 6.790 14.081 -6.544 404 HG3 GLN 47 HG3 GLN 47 6.871 12.328 -6.713 405 HE21 GLN 47 HE21 GLN 47 6.251 12.454 -8.864 406 HE22 GLN 47 HE22 GLN 47 4.613 12.787 -9.331 407 H GLY 48 H GLY 48 6.921 11.797 -1.779 408 HA2 GLY 48 HA2 GLY 48 6.419 12.316 0.390 409 HA3 GLY 48 HA3 GLY 48 6.923 13.949 -0.009 410 H LYS 49 H LYS 49 4.220 12.346 -1.559 411 HA LYS 49 HA LYS 49 2.449 14.202 -0.121 412 HB2 LYS 49 HB2 LYS 49 1.034 14.207 -2.190 413 HB3 LYS 49 HB3 LYS 49 2.587 15.010 -2.335 414 HG2 LYS 49 HG2 LYS 49 2.439 13.852 -4.314 415 HG3 LYS 49 HG3 LYS 49 3.390 12.755 -3.317 416 HD2 LYS 49 HD2 LYS 49 1.631 11.589 -4.597 417 HD3 LYS 49 HD3 LYS 49 1.421 11.418 -2.852 418 HE2 LYS 49 HE2 LYS 49 -0.403 12.841 -2.803 419 HE3 LYS 49 HE3 LYS 49 0.038 13.617 -4.321 420 HZ1 LYS 49 HZ1 LYS 49 -1.894 12.157 -4.557 421 HZ2 LYS 49 HZ2 LYS 49 -0.964 10.828 -4.064 422 HZ3 LYS 49 HZ3 LYS 49 -0.592 11.631 -5.506 423 H LEU 50 H LEU 50 3.190 11.041 -0.493 424 HA LEU 50 HA LEU 50 0.699 9.747 -0.400 425 HB2 LEU 50 HB2 LEU 50 3.399 9.046 -0.127 426 HB3 LEU 50 HB3 LEU 50 2.662 8.570 1.388 427 HG LEU 50 HG LEU 50 1.301 7.717 -1.126 428 HD11 LEU 50 HD11 LEU 50 3.779 6.400 -0.022 429 HD12 LEU 50 HD12 LEU 50 3.660 7.230 -1.575 430 HD13 LEU 50 HD13 LEU 50 2.738 5.752 -1.291 431 HD21 LEU 50 HD21 LEU 50 0.823 5.757 0.215 432 HD22 LEU 50 HD22 LEU 50 0.368 7.221 1.093 433 HD23 LEU 50 HD23 LEU 50 1.858 6.366 1.504 434 HA PRO 51 HA PRO 51 -0.760 11.167 3.560 435 HB2 PRO 51 HB2 PRO 51 -2.706 9.331 3.987 436 HB3 PRO 51 HB3 PRO 51 -2.875 10.663 2.836 437 HG2 PRO 51 HG2 PRO 51 -2.199 7.796 2.335 438 HG3 PRO 51 HG3 PRO 51 -3.251 8.879 1.407 439 HD2 PRO 51 HD2 PRO 51 -0.696 8.278 0.678 440 HD3 PRO 51 HD3 PRO 51 -1.493 9.808 0.269 441 H ASN 52 H ASN 52 -0.670 10.647 5.717 442 HA ASN 52 HA ASN 52 1.387 8.816 6.424 443 HB2 ASN 52 HB2 ASN 52 1.117 10.924 7.623 444 HB3 ASN 52 HB3 ASN 52 -0.507 10.466 8.119 445 HD21 ASN 52 HD21 ASN 52 -0.790 9.023 9.785 446 HD22 ASN 52 HD22 ASN 52 0.507 8.534 10.811 447 H ASP 53 H ASP 53 -2.053 8.732 6.377 448 HA ASP 53 HA ASP 53 -2.457 6.680 8.310 449 HB2 ASP 53 HB2 ASP 53 -4.297 7.435 6.028 450 HB3 ASP 53 HB3 ASP 53 -4.744 6.624 7.525 451 H ARG 54 H ARG 54 -2.571 6.754 4.791 452 HA ARG 54 HA ARG 54 -2.967 4.062 4.272 453 HB2 ARG 54 HB2 ARG 54 -3.197 5.629 2.510 454 HB3 ARG 54 HB3 ARG 54 -1.575 6.258 2.748 455 HG2 ARG 54 HG2 ARG 54 -0.858 4.912 1.156 456 HG3 ARG 54 HG3 ARG 54 -1.290 3.527 2.161 457 HD2 ARG 54 HD2 ARG 54 -2.283 3.515 -0.123 458 HD3 ARG 54 HD3 ARG 54 -3.456 3.397 1.185 459 HE ARG 54 HE ARG 54 -3.730 5.907 0.810 460 HH11 ARG 54 HH11 ARG 54 -2.927 3.650 -1.749 461 HH12 ARG 54 HH12 ARG 54 -3.672 4.591 -3.002 462 HH21 ARG 54 HH21 ARG 54 -4.709 7.162 -0.836 463 HH22 ARG 54 HH22 ARG 54 -4.681 6.595 -2.485 464 H ARG 55 H ARG 55 0.130 5.833 4.395 465 HA ARG 55 HA ARG 55 1.690 3.532 3.929 466 HB2 ARG 55 HB2 ARG 55 3.613 4.905 4.607 467 HB3 ARG 55 HB3 ARG 55 2.575 5.725 3.458 468 HG2 ARG 55 HG2 ARG 55 2.952 7.436 4.861 469 HG3 ARG 55 HG3 ARG 55 1.555 6.738 5.677 470 HD2 ARG 55 HD2 ARG 55 2.849 5.786 7.356 471 HD3 ARG 55 HD3 ARG 55 4.320 5.840 6.385 472 HE ARG 55 HE ARG 55 3.233 8.427 7.051 473 HH11 ARG 55 HH11 ARG 55 5.345 5.842 8.111 474 HH12 ARG 55 HH12 ARG 55 6.355 6.890 9.064 475 HH21 ARG 55 HH21 ARG 55 4.564 9.799 8.279 476 HH22 ARG 55 HH22 ARG 55 5.904 9.131 9.163 477 H LEU 56 H LEU 56 0.279 4.831 6.816 478 HA LEU 56 HA LEU 56 1.886 3.332 8.650 479 HB2 LEU 56 HB2 LEU 56 0.708 5.319 9.393 480 HB3 LEU 56 HB3 LEU 56 -0.831 4.618 8.936 481 HG LEU 56 HG LEU 56 -0.496 2.869 10.685 482 HD11 LEU 56 HD11 LEU 56 1.826 4.605 11.502 483 HD12 LEU 56 HD12 LEU 56 1.946 2.989 10.810 484 HD13 LEU 56 HD13 LEU 56 1.199 3.217 12.391 485 HD21 LEU 56 HD21 LEU 56 -1.004 4.339 12.576 486 HD22 LEU 56 HD22 LEU 56 -1.872 4.833 11.123 487 HD23 LEU 56 HD23 LEU 56 -0.446 5.728 11.644 488 H LEU 57 H LEU 57 -1.204 2.866 7.018 489 HA LEU 57 HA LEU 57 -1.987 0.458 8.211 490 HB2 LEU 57 HB2 LEU 57 -2.414 1.330 5.348 491 HB3 LEU 57 HB3 LEU 57 -3.319 0.084 6.182 492 HG LEU 57 HG LEU 57 -3.333 3.028 6.843 493 HD11 LEU 57 HD11 LEU 57 -5.652 2.941 6.076 494 HD12 LEU 57 HD12 LEU 57 -5.439 1.249 5.628 495 HD13 LEU 57 HD13 LEU 57 -4.526 2.505 4.792 496 HD21 LEU 57 HD21 LEU 57 -3.581 1.637 8.845 497 HD22 LEU 57 HD22 LEU 57 -4.913 0.773 8.074 498 HD23 LEU 57 HD23 LEU 57 -5.074 2.488 8.449 499 H LEU 58 H LEU 58 0.051 1.093 5.396 500 HA LEU 58 HA LEU 58 0.565 -1.577 4.686 501 HB2 LEU 58 HB2 LEU 58 1.958 1.020 4.190 502 HB3 LEU 58 HB3 LEU 58 2.780 -0.473 3.786 503 HG LEU 58 HG LEU 58 1.706 0.453 1.822 504 HD11 LEU 58 HD11 LEU 58 0.273 -2.005 2.807 505 HD12 LEU 58 HD12 LEU 58 1.850 -1.968 2.018 506 HD13 LEU 58 HD13 LEU 58 0.406 -1.482 1.128 507 HD21 LEU 58 HD21 LEU 58 -0.075 1.718 2.895 508 HD22 LEU 58 HD22 LEU 58 -0.875 0.216 3.364 509 HD23 LEU 58 HD23 LEU 58 -0.725 0.642 1.658 510 H ASP 59 H ASP 59 2.267 0.614 6.885 511 HA ASP 59 HA ASP 59 4.387 -1.182 7.448 512 HB2 ASP 59 HB2 ASP 59 4.555 1.251 7.839 513 HB3 ASP 59 HB3 ASP 59 3.368 1.115 9.135 514 H LYS 60 H LYS 60 1.222 -0.654 8.859 515 HA LYS 60 HA LYS 60 1.555 -2.178 11.201 516 HB2 LYS 60 HB2 LYS 60 -0.585 -0.846 9.828 517 HB3 LYS 60 HB3 LYS 60 -1.131 -2.431 10.357 518 HG2 LYS 60 HG2 LYS 60 -1.597 -0.719 12.023 519 HG3 LYS 60 HG3 LYS 60 -0.462 -1.925 12.635 520 HD2 LYS 60 HD2 LYS 60 1.401 -0.407 12.155 521 HD3 LYS 60 HD3 LYS 60 0.258 0.800 11.561 522 HE2 LYS 60 HE2 LYS 60 0.927 1.294 13.848 523 HE3 LYS 60 HE3 LYS 60 -0.788 0.901 13.762 524 HZ1 LYS 60 HZ1 LYS 60 0.311 -0.163 15.648 525 HZ2 LYS 60 HZ2 LYS 60 1.357 -0.985 14.593 526 HZ3 LYS 60 HZ3 LYS 60 -0.306 -1.313 14.566 527 H ILE 61 H ILE 61 0.467 -3.087 7.945 528 HA ILE 61 HA ILE 61 0.158 -5.848 8.747 529 HB ILE 61 HB ILE 61 -0.235 -6.258 6.295 530 HG12 ILE 61 HG12 ILE 61 -0.052 -3.240 6.193 531 HG13 ILE 61 HG13 ILE 61 1.019 -4.378 5.383 532 HG21 ILE 61 HG21 ILE 61 -2.061 -5.937 7.872 533 HG22 ILE 61 HG22 ILE 61 -2.455 -5.224 6.308 534 HG23 ILE 61 HG23 ILE 61 -1.963 -4.190 7.649 535 HD11 ILE 61 HD11 ILE 61 -1.913 -4.009 4.816 536 HD12 ILE 61 HD12 ILE 61 -0.834 -5.140 3.996 537 HD13 ILE 61 HD13 ILE 61 -0.579 -3.401 3.839 538 H GLY 62 H GLY 62 2.749 -3.908 7.968 539 HA2 GLY 62 HA2 GLY 62 4.972 -4.587 8.156 540 HA3 GLY 62 HA3 GLY 62 4.455 -6.254 7.955 541 H PHE 63 H PHE 63 3.814 -3.498 5.824 542 HA PHE 63 HA PHE 63 4.807 -4.995 3.561 543 HB2 PHE 63 HB2 PHE 63 2.815 -3.586 3.328 544 HB3 PHE 63 HB3 PHE 63 3.752 -2.168 3.775 545 HD1 PHE 63 HD1 PHE 63 3.705 -4.900 1.241 546 HD2 PHE 63 HD2 PHE 63 4.629 -0.839 2.117 547 HE1 PHE 63 HE1 PHE 63 4.249 -4.518 -1.126 548 HE2 PHE 63 HE2 PHE 63 5.176 -0.450 -0.250 549 HZ PHE 63 HZ PHE 63 4.986 -2.290 -1.876 550 H VAL 64 H VAL 64 6.670 -4.785 2.549 551 HA VAL 64 HA VAL 64 8.686 -3.030 3.690 552 HB VAL 64 HB VAL 64 8.800 -5.242 1.642 553 HG11 VAL 64 HG11 VAL 64 11.081 -3.538 2.652 554 HG12 VAL 64 HG12 VAL 64 10.434 -3.533 1.012 555 HG13 VAL 64 HG13 VAL 64 11.240 -4.972 1.637 556 HG21 VAL 64 HG21 VAL 64 10.123 -6.385 3.332 557 HG22 VAL 64 HG22 VAL 64 8.549 -5.917 3.978 558 HG23 VAL 64 HG23 VAL 64 9.987 -4.985 4.394 559 H TRP 65 H TRP 65 9.140 -1.113 2.854 560 HA TRP 65 HA TRP 65 7.914 -0.307 0.362 561 HB2 TRP 65 HB2 TRP 65 9.621 1.204 2.349 562 HB3 TRP 65 HB3 TRP 65 8.935 1.919 0.894 563 HD1 TRP 65 HD1 TRP 65 7.986 0.779 4.401 564 HE1 TRP 65 HE1 TRP 65 5.593 1.569 4.915 565 HE3 TRP 65 HE3 TRP 65 6.658 2.436 -0.254 566 HZ2 TRP 65 HZ2 TRP 65 3.429 2.746 3.532 567 HZ3 TRP 65 HZ3 TRP 65 4.406 3.374 -0.572 568 HH2 TRP 65 HH2 TRP 65 2.826 3.522 1.282 569 H SER 66 H SER 66 10.981 -1.350 1.520 570 HA SER 66 HA SER 66 12.984 -1.751 0.546 571 HB2 SER 66 HB2 SER 66 11.469 -1.372 -2.048 572 HB3 SER 66 HB3 SER 66 13.084 -2.070 -1.898 573 HG SER 66 HG SER 66 10.600 -3.128 -1.175 574 H LEU 67 H LEU 67 14.631 -0.414 0.687 575 HA LEU 67 HA LEU 67 14.365 2.304 -0.378 576 HB2 LEU 67 HB2 LEU 67 14.982 2.043 2.007 577 HB3 LEU 67 HB3 LEU 67 16.423 1.170 1.524 578 HG LEU 67 HG LEU 67 17.250 3.190 0.372 579 HD11 LEU 67 HD11 LEU 67 16.149 5.332 0.731 580 HD12 LEU 67 HD12 LEU 67 14.834 4.529 1.587 581 HD13 LEU 67 HD13 LEU 67 15.086 4.220 -0.132 582 HD21 LEU 67 HD21 LEU 67 17.917 2.723 2.669 583 HD22 LEU 67 HD22 LEU 67 16.509 3.599 3.268 584 HD23 LEU 67 HD23 LEU 67 17.778 4.459 2.393 585 H GLU 68 H GLU 68 15.554 2.980 -2.057 586 HA GLU 68 HA GLU 68 16.968 1.046 -3.607 587 HB2 GLU 68 HB2 GLU 68 16.595 4.024 -3.988 588 HB3 GLU 68 HB3 GLU 68 17.300 2.940 -5.183 589 HG2 GLU 68 HG2 GLU 68 15.242 1.748 -5.414 590 HG3 GLU 68 HG3 GLU 68 14.527 2.622 -4.063 591 H HIS 69 H HIS 69 19.098 0.752 -3.850 592 HA HIS 69 HA HIS 69 20.792 1.869 -1.807 593 HB2 HIS 69 HB2 HIS 69 21.294 -0.189 -3.959 594 HB3 HIS 69 HB3 HIS 69 22.505 0.307 -2.782 595 HD1 HIS 69 HD1 HIS 69 21.644 -2.609 -2.835 596 HD2 HIS 69 HD2 HIS 69 19.829 0.288 -0.462 597 HE1 HIS 69 HE1 HIS 69 20.558 -3.859 -0.937 598 HE2 HIS 69 HE2 HIS 69 19.636 -2.067 0.579 599 H HIS 70 H HIS 70 23.223 2.132 -2.691 600 HA HIS 70 HA HIS 70 23.127 4.630 -4.115 601 HB2 HIS 70 HB2 HIS 70 24.656 3.889 -2.129 602 HB3 HIS 70 HB3 HIS 70 25.657 3.179 -3.386 603 HD1 HIS 70 HD1 HIS 70 24.763 6.382 -1.794 604 HD2 HIS 70 HD2 HIS 70 26.899 5.090 -5.116 605 HE1 HIS 70 HE1 HIS 70 26.117 8.365 -2.540 606 HE2 HIS 70 HE2 HIS 70 27.263 7.615 -4.654 607 H HIS 71 H HIS 71 24.167 5.112 -6.095 608 HA HIS 71 HA HIS 71 24.355 2.816 -7.891 609 HB2 HIS 71 HB2 HIS 71 24.241 5.791 -8.423 610 HB3 HIS 71 HB3 HIS 71 24.456 4.582 -9.686 611 HD1 HIS 71 HD1 HIS 71 21.877 6.437 -7.995 612 HD2 HIS 71 HD2 HIS 71 22.184 2.634 -9.660 613 HE1 HIS 71 HE1 HIS 71 19.515 5.648 -8.335 614 HE2 HIS 71 HE2 HIS 71 19.728 3.271 -9.147 615 H HIS 72 H HIS 72 26.159 2.644 -9.398 616 HA HIS 72 HA HIS 72 28.573 2.899 -7.804 617 HB2 HIS 72 HB2 HIS 72 28.005 1.387 -10.354 618 HB3 HIS 72 HB3 HIS 72 29.566 1.390 -9.538 619 HD1 HIS 72 HD1 HIS 72 29.900 -0.536 -8.031 620 HD2 HIS 72 HD2 HIS 72 25.873 0.439 -8.431 621 HE1 HIS 72 HE1 HIS 72 28.643 -2.236 -6.657 622 HE2 HIS 72 HE2 HIS 72 26.204 -1.754 -7.101 623 H HIS 73 H HIS 73 28.487 5.290 -8.205 624 HA HIS 73 HA HIS 73 30.748 5.918 -9.736 625 HB2 HIS 73 HB2 HIS 73 29.929 7.264 -11.510 626 HB3 HIS 73 HB3 HIS 73 29.001 5.775 -11.597 627 HD1 HIS 73 HD1 HIS 73 28.605 9.353 -11.611 628 HD2 HIS 73 HD2 HIS 73 26.327 6.123 -10.311 629 HE1 HIS 73 HE1 HIS 73 26.259 10.222 -11.393 630 HE2 HIS 73 HE2 HIS 73 24.916 8.285 -10.492 631 H HIS 74 H HIS 74 31.517 7.997 -9.273 632 HA HIS 74 HA HIS 74 29.861 9.553 -7.397 633 HB2 HIS 74 HB2 HIS 74 32.817 8.981 -7.370 634 HB3 HIS 74 HB3 HIS 74 32.158 10.396 -6.558 635 HD1 HIS 74 HD1 HIS 74 32.108 6.625 -6.408 636 HD2 HIS 74 HD2 HIS 74 30.909 9.912 -4.155 637 HE1 HIS 74 HE1 HIS 74 31.448 5.709 -4.160 638 HE2 HIS 74 HE2 HIS 74 30.909 7.737 -2.760 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -24.566 -9.748 -0.429 2 H2 MET 1 H2 MET 1 -23.990 -8.708 0.782 3 H3 MET 1 H3 MET 1 -23.120 -10.107 0.384 4 HA MET 1 HA MET 1 -22.168 -8.016 -0.500 5 HB2 MET 1 HB2 MET 1 -21.687 -8.920 -2.714 6 HB3 MET 1 HB3 MET 1 -21.640 -10.194 -1.505 7 HG2 MET 1 HG2 MET 1 -23.839 -10.956 -2.186 8 HG3 MET 1 HG3 MET 1 -23.947 -9.645 -3.359 9 HE1 MET 1 HE1 MET 1 -23.548 -12.840 -5.605 10 HE2 MET 1 HE2 MET 1 -24.546 -11.433 -5.241 11 HE3 MET 1 HE3 MET 1 -24.405 -12.741 -4.066 12 H ASN 2 H ASN 2 -22.307 -6.337 -2.045 13 HA ASN 2 HA ASN 2 -24.903 -5.910 -3.325 14 HB2 ASN 2 HB2 ASN 2 -23.563 -3.902 -1.491 15 HB3 ASN 2 HB3 ASN 2 -24.932 -3.541 -2.534 16 HD21 ASN 2 HD21 ASN 2 -23.864 -5.123 0.361 17 HD22 ASN 2 HD22 ASN 2 -25.438 -5.438 1.014 18 H GLN 3 H GLN 3 -24.790 -4.591 -5.171 19 HA GLN 3 HA GLN 3 -22.055 -4.044 -6.101 20 HB2 GLN 3 HB2 GLN 3 -23.686 -5.380 -7.534 21 HB3 GLN 3 HB3 GLN 3 -24.592 -3.886 -7.738 22 HG2 GLN 3 HG2 GLN 3 -22.630 -2.834 -8.749 23 HG3 GLN 3 HG3 GLN 3 -21.724 -4.332 -8.546 24 HE21 GLN 3 HE21 GLN 3 -21.358 -4.552 -10.741 25 HE22 GLN 3 HE22 GLN 3 -22.607 -4.991 -11.848 26 H ASN 4 H ASN 4 -22.675 -2.415 -4.173 27 HA ASN 4 HA ASN 4 -24.134 -0.084 -4.962 28 HB2 ASN 4 HB2 ASN 4 -23.356 0.837 -2.798 29 HB3 ASN 4 HB3 ASN 4 -24.062 -0.767 -2.619 30 HD21 ASN 4 HD21 ASN 4 -21.318 1.180 -2.130 31 HD22 ASN 4 HD22 ASN 4 -20.270 -0.053 -1.510 32 H LEU 5 H LEU 5 -20.871 -1.144 -5.190 33 HA LEU 5 HA LEU 5 -19.002 -0.279 -6.140 34 HB2 LEU 5 HB2 LEU 5 -20.911 1.786 -7.242 35 HB3 LEU 5 HB3 LEU 5 -19.254 1.564 -7.769 36 HG LEU 5 HG LEU 5 -21.460 -0.481 -8.047 37 HD11 LEU 5 HD11 LEU 5 -20.161 1.319 -10.086 38 HD12 LEU 5 HD12 LEU 5 -21.827 1.405 -9.516 39 HD13 LEU 5 HD13 LEU 5 -21.287 0.010 -10.447 40 HD21 LEU 5 HD21 LEU 5 -19.857 -1.693 -9.431 41 HD22 LEU 5 HD22 LEU 5 -19.260 -1.501 -7.784 42 HD23 LEU 5 HD23 LEU 5 -18.626 -0.483 -9.076 43 H GLN 6 H GLN 6 -17.847 2.062 -6.445 44 HA GLN 6 HA GLN 6 -16.803 3.769 -5.381 45 HB2 GLN 6 HB2 GLN 6 -19.044 4.795 -5.363 46 HB3 GLN 6 HB3 GLN 6 -19.382 4.018 -3.825 47 HG2 GLN 6 HG2 GLN 6 -18.797 6.345 -3.508 48 HG3 GLN 6 HG3 GLN 6 -17.587 5.291 -2.777 49 HE21 GLN 6 HE21 GLN 6 -18.282 7.501 -5.354 50 HE22 GLN 6 HE22 GLN 6 -16.648 7.759 -5.859 51 H GLY 7 H GLY 7 -15.217 2.525 -4.450 52 HA2 GLY 7 HA2 GLY 7 -14.404 2.703 -1.994 53 HA3 GLY 7 HA3 GLY 7 -15.705 1.552 -1.728 54 H GLU 8 H GLU 8 -13.104 1.906 -4.149 55 HA GLU 8 HA GLU 8 -12.669 -0.961 -4.053 56 HB2 GLU 8 HB2 GLU 8 -12.647 0.171 -6.238 57 HB3 GLU 8 HB3 GLU 8 -11.290 1.162 -5.714 58 HG2 GLU 8 HG2 GLU 8 -9.851 -0.733 -5.599 59 HG3 GLU 8 HG3 GLU 8 -11.197 -1.840 -5.851 60 H TRP 9 H TRP 9 -11.403 1.897 -2.652 61 HA TRP 9 HA TRP 9 -8.799 1.251 -1.972 62 HB2 TRP 9 HB2 TRP 9 -10.442 3.255 -1.284 63 HB3 TRP 9 HB3 TRP 9 -10.598 2.297 0.178 64 HD1 TRP 9 HD1 TRP 9 -9.048 5.247 -0.528 65 HE1 TRP 9 HE1 TRP 9 -6.751 5.586 0.572 66 HE3 TRP 9 HE3 TRP 9 -7.892 0.365 0.548 67 HZ2 TRP 9 HZ2 TRP 9 -4.728 4.022 1.731 68 HZ3 TRP 9 HZ3 TRP 9 -5.741 -0.115 1.643 69 HH2 TRP 9 HH2 TRP 9 -4.197 1.677 2.224 70 H MET 10 H MET 10 -11.752 0.445 -0.162 71 HA MET 10 HA MET 10 -10.567 -1.150 1.794 72 HB2 MET 10 HB2 MET 10 -13.364 -1.280 0.664 73 HB3 MET 10 HB3 MET 10 -12.841 -2.122 2.114 74 HG2 MET 10 HG2 MET 10 -12.756 0.865 1.766 75 HG3 MET 10 HG3 MET 10 -14.079 -0.008 2.532 76 HE1 MET 10 HE1 MET 10 -10.604 1.596 2.940 77 HE2 MET 10 HE2 MET 10 -10.074 -0.074 2.730 78 HE3 MET 10 HE3 MET 10 -9.879 0.726 4.291 79 H LYS 11 H LYS 11 -11.658 -1.964 -1.442 80 HA LYS 11 HA LYS 11 -11.459 -4.781 -1.180 81 HB2 LYS 11 HB2 LYS 11 -12.667 -3.586 -3.028 82 HB3 LYS 11 HB3 LYS 11 -11.103 -3.138 -3.698 83 HG2 LYS 11 HG2 LYS 11 -10.737 -5.773 -3.541 84 HG3 LYS 11 HG3 LYS 11 -12.495 -5.746 -3.701 85 HD2 LYS 11 HD2 LYS 11 -11.514 -5.918 -5.894 86 HD3 LYS 11 HD3 LYS 11 -12.234 -4.317 -5.715 87 HE2 LYS 11 HE2 LYS 11 -10.064 -3.354 -5.251 88 HE3 LYS 11 HE3 LYS 11 -9.313 -4.947 -5.305 89 HZ1 LYS 11 HZ1 LYS 11 -8.912 -3.859 -7.359 90 HZ2 LYS 11 HZ2 LYS 11 -10.544 -3.464 -7.564 91 HZ3 LYS 11 HZ3 LYS 11 -10.042 -5.081 -7.660 92 H ASN 12 H ASN 12 -9.255 -2.353 -2.569 93 HA ASN 12 HA ASN 12 -7.158 -4.127 -3.164 94 HB2 ASN 12 HB2 ASN 12 -7.190 -1.149 -2.662 95 HB3 ASN 12 HB3 ASN 12 -5.742 -2.020 -3.143 96 HD21 ASN 12 HD21 ASN 12 -7.151 0.095 -4.521 97 HD22 ASN 12 HD22 ASN 12 -7.580 -0.541 -6.071 98 H TYR 13 H TYR 13 -7.963 -2.309 -0.265 99 HA TYR 13 HA TYR 13 -5.597 -2.692 1.166 100 HB2 TYR 13 HB2 TYR 13 -7.387 -1.185 1.929 101 HB3 TYR 13 HB3 TYR 13 -8.424 -2.573 2.245 102 HD1 TYR 13 HD2 TYR 13 -5.111 -1.143 3.203 103 HD2 TYR 13 HD1 TYR 13 -8.435 -3.530 4.378 104 HE1 TYR 13 HE2 TYR 13 -4.182 -1.309 5.472 105 HE2 TYR 13 HE1 TYR 13 -7.510 -3.703 6.652 106 HH TYR 13 HH TYR 13 -4.903 -1.748 7.722 107 H GLU 14 H GLU 14 -8.545 -4.698 1.085 108 HA GLU 14 HA GLU 14 -7.593 -6.679 2.851 109 HB2 GLU 14 HB2 GLU 14 -9.761 -6.672 0.763 110 HB3 GLU 14 HB3 GLU 14 -9.384 -8.116 1.696 111 HG2 GLU 14 HG2 GLU 14 -10.221 -5.459 2.842 112 HG3 GLU 14 HG3 GLU 14 -11.258 -6.873 2.646 113 H GLU 15 H GLU 15 -7.330 -6.308 -0.638 114 HA GLU 15 HA GLU 15 -6.269 -8.926 -1.065 115 HB2 GLU 15 HB2 GLU 15 -6.120 -6.482 -2.848 116 HB3 GLU 15 HB3 GLU 15 -5.723 -8.127 -3.333 117 HG2 GLU 15 HG2 GLU 15 -8.101 -8.732 -2.681 118 HG3 GLU 15 HG3 GLU 15 -8.406 -6.999 -2.607 119 H LEU 16 H LEU 16 -4.869 -5.761 -0.410 120 HA LEU 16 HA LEU 16 -2.161 -6.571 -0.917 121 HB2 LEU 16 HB2 LEU 16 -2.891 -4.179 -0.947 122 HB3 LEU 16 HB3 LEU 16 -3.182 -4.283 0.777 123 HG LEU 16 HG LEU 16 -0.819 -4.654 1.207 124 HD11 LEU 16 HD11 LEU 16 -0.272 -5.897 -0.822 125 HD12 LEU 16 HD12 LEU 16 0.827 -4.539 -0.590 126 HD13 LEU 16 HD13 LEU 16 -0.469 -4.428 -1.780 127 HD21 LEU 16 HD21 LEU 16 0.041 -2.474 0.480 128 HD22 LEU 16 HD22 LEU 16 -1.598 -2.363 1.121 129 HD23 LEU 16 HD23 LEU 16 -1.329 -2.314 -0.620 130 H LYS 17 H LYS 17 -4.223 -6.165 1.856 131 HA LYS 17 HA LYS 17 -2.637 -6.932 3.964 132 HB2 LYS 17 HB2 LYS 17 -4.837 -6.109 4.273 133 HB3 LYS 17 HB3 LYS 17 -5.537 -7.389 3.307 134 HG2 LYS 17 HG2 LYS 17 -4.869 -9.002 5.044 135 HG3 LYS 17 HG3 LYS 17 -4.320 -7.647 6.036 136 HD2 LYS 17 HD2 LYS 17 -6.525 -6.732 6.138 137 HD3 LYS 17 HD3 LYS 17 -7.114 -7.877 4.934 138 HE2 LYS 17 HE2 LYS 17 -6.587 -9.712 6.533 139 HE3 LYS 17 HE3 LYS 17 -6.220 -8.482 7.744 140 HZ1 LYS 17 HZ1 LYS 17 -8.469 -7.669 7.580 141 HZ2 LYS 17 HZ2 LYS 17 -8.495 -9.332 7.921 142 HZ3 LYS 17 HZ3 LYS 17 -8.827 -8.782 6.354 143 H SER 18 H SER 18 -4.582 -9.003 1.832 144 HA SER 18 HA SER 18 -3.835 -11.457 2.975 145 HB2 SER 18 HB2 SER 18 -5.782 -11.164 1.471 146 HB3 SER 18 HB3 SER 18 -4.684 -10.896 0.120 147 HG SER 18 HG SER 18 -4.330 -13.234 1.615 148 H PHE 19 H PHE 19 -2.337 -9.466 0.475 149 HA PHE 19 HA PHE 19 -0.562 -11.541 -0.382 150 HB2 PHE 19 HB2 PHE 19 -1.155 -8.786 -1.138 151 HB3 PHE 19 HB3 PHE 19 0.551 -9.186 -1.262 152 HD1 PHE 19 HD1 PHE 19 -2.826 -10.090 -2.399 153 HD2 PHE 19 HD2 PHE 19 1.356 -10.633 -2.969 154 HE1 PHE 19 HE1 PHE 19 -3.269 -11.232 -4.536 155 HE2 PHE 19 HE2 PHE 19 0.921 -11.776 -5.101 156 HZ PHE 19 HZ PHE 19 -1.396 -12.079 -5.889 157 H VAL 20 H VAL 20 -0.275 -8.700 1.712 158 HA VAL 20 HA VAL 20 2.449 -9.031 2.345 159 HB VAL 20 HB VAL 20 0.199 -7.787 3.931 160 HG11 VAL 20 HG11 VAL 20 1.934 -6.746 5.322 161 HG12 VAL 20 HG12 VAL 20 3.160 -7.711 4.502 162 HG13 VAL 20 HG13 VAL 20 1.928 -8.501 5.484 163 HG21 VAL 20 HG21 VAL 20 2.432 -6.586 2.298 164 HG22 VAL 20 HG22 VAL 20 1.239 -5.677 3.227 165 HG23 VAL 20 HG23 VAL 20 0.728 -6.651 1.848 166 H ARG 21 H ARG 21 -0.475 -10.507 3.641 167 HA ARG 21 HA ARG 21 0.822 -11.905 5.758 168 HB2 ARG 21 HB2 ARG 21 -1.618 -11.481 5.680 169 HB3 ARG 21 HB3 ARG 21 -1.748 -12.565 4.304 170 HG2 ARG 21 HG2 ARG 21 -2.443 -13.626 6.398 171 HG3 ARG 21 HG3 ARG 21 -1.057 -14.439 5.668 172 HD2 ARG 21 HD2 ARG 21 0.444 -13.404 7.219 173 HD3 ARG 21 HD3 ARG 21 -0.841 -12.376 7.849 174 HE ARG 21 HE ARG 21 -1.888 -14.575 8.581 175 HH11 ARG 21 HH11 ARG 21 1.571 -14.109 8.301 176 HH12 ARG 21 HH12 ARG 21 1.960 -15.233 9.561 177 HH21 ARG 21 HH21 ARG 21 -1.386 -16.058 10.249 178 HH22 ARG 21 HH22 ARG 21 0.281 -16.340 10.677 179 H LYS 22 H LYS 22 0.066 -12.621 2.408 180 HA LYS 22 HA LYS 22 0.701 -15.346 2.390 181 HB2 LYS 22 HB2 LYS 22 0.385 -13.200 0.346 182 HB3 LYS 22 HB3 LYS 22 1.076 -14.731 -0.138 183 HG2 LYS 22 HG2 LYS 22 -0.887 -15.909 0.405 184 HG3 LYS 22 HG3 LYS 22 -1.549 -14.530 1.285 185 HD2 LYS 22 HD2 LYS 22 -1.838 -13.288 -0.737 186 HD3 LYS 22 HD3 LYS 22 -0.951 -14.498 -1.666 187 HE2 LYS 22 HE2 LYS 22 -3.498 -15.113 -0.195 188 HE3 LYS 22 HE3 LYS 22 -3.472 -14.555 -1.868 189 HZ1 LYS 22 HZ1 LYS 22 -3.574 -16.961 -1.745 190 HZ2 LYS 22 HZ2 LYS 22 -2.138 -17.007 -0.844 191 HZ3 LYS 22 HZ3 LYS 22 -2.117 -16.463 -2.451 192 H TYR 23 H TYR 23 2.647 -12.594 1.157 193 HA TYR 23 HA TYR 23 4.982 -14.391 1.299 194 HB2 TYR 23 HB2 TYR 23 4.209 -12.456 -0.880 195 HB3 TYR 23 HB3 TYR 23 5.830 -13.123 -0.730 196 HD1 TYR 23 HD2 TYR 23 6.240 -15.502 -1.158 197 HD2 TYR 23 HD1 TYR 23 2.370 -13.815 -1.668 198 HE1 TYR 23 HE2 TYR 23 5.555 -17.483 -2.446 199 HE2 TYR 23 HE1 TYR 23 1.674 -15.791 -2.957 200 HH TYR 23 HH TYR 23 2.727 -17.583 -4.307 201 H ARG 24 H ARG 24 3.668 -11.581 2.459 202 HA ARG 24 HA ARG 24 4.445 -9.726 3.498 203 HB2 ARG 24 HB2 ARG 24 6.697 -11.619 3.757 204 HB3 ARG 24 HB3 ARG 24 7.124 -9.923 3.934 205 HG2 ARG 24 HG2 ARG 24 4.880 -11.197 5.475 206 HG3 ARG 24 HG3 ARG 24 6.549 -11.162 6.056 207 HD2 ARG 24 HD2 ARG 24 4.867 -8.763 5.337 208 HD3 ARG 24 HD3 ARG 24 5.247 -9.307 6.974 209 HE ARG 24 HE ARG 24 7.505 -8.714 5.225 210 HH11 ARG 24 HH11 ARG 24 5.447 -7.621 7.853 211 HH12 ARG 24 HH12 ARG 24 6.570 -6.411 8.383 212 HH21 ARG 24 HH21 ARG 24 8.984 -7.170 5.937 213 HH22 ARG 24 HH22 ARG 24 8.617 -6.166 7.312 214 H ARG 25 H ARG 25 4.241 -8.109 2.098 215 HA ARG 25 HA ARG 25 4.625 -6.622 0.438 216 HB2 ARG 25 HB2 ARG 25 6.820 -6.404 1.571 217 HB3 ARG 25 HB3 ARG 25 7.449 -7.695 0.565 218 HG2 ARG 25 HG2 ARG 25 7.208 -6.330 -1.406 219 HG3 ARG 25 HG3 ARG 25 6.471 -5.036 -0.447 220 HD2 ARG 25 HD2 ARG 25 8.457 -4.696 0.780 221 HD3 ARG 25 HD3 ARG 25 9.176 -6.173 0.149 222 HE ARG 25 HE ARG 25 8.594 -4.405 -1.982 223 HH11 ARG 25 HH11 ARG 25 10.821 -4.797 0.695 224 HH12 ARG 25 HH12 ARG 25 12.111 -3.931 -0.076 225 HH21 ARG 25 HH21 ARG 25 10.303 -3.272 -3.006 226 HH22 ARG 25 HH22 ARG 25 11.820 -3.084 -2.189 227 H PHE 26 H PHE 26 5.442 -6.570 -1.961 228 HA PHE 26 HA PHE 26 4.274 -8.822 -3.269 229 HB2 PHE 26 HB2 PHE 26 5.891 -6.582 -4.508 230 HB3 PHE 26 HB3 PHE 26 4.759 -7.646 -5.335 231 HD1 PHE 26 HD2 PHE 26 2.328 -7.633 -4.123 232 HD2 PHE 26 HD1 PHE 26 5.170 -4.470 -4.117 233 HE1 PHE 26 HE2 PHE 26 0.526 -6.018 -3.701 234 HE2 PHE 26 HE1 PHE 26 3.369 -2.848 -3.694 235 HZ PHE 26 HZ PHE 26 1.043 -3.622 -3.490 236 HA PRO 27 HA PRO 27 7.961 -11.282 -4.084 237 HB2 PRO 27 HB2 PRO 27 6.793 -11.771 -6.759 238 HB3 PRO 27 HB3 PRO 27 7.250 -12.929 -5.505 239 HG2 PRO 27 HG2 PRO 27 4.678 -12.405 -6.045 240 HG3 PRO 27 HG3 PRO 27 5.233 -12.732 -4.393 241 HD2 PRO 27 HD2 PRO 27 4.556 -10.118 -5.688 242 HD3 PRO 27 HD3 PRO 27 4.224 -10.682 -4.036 243 H LYS 28 H LYS 28 9.436 -9.614 -4.223 244 HA LYS 28 HA LYS 28 10.791 -8.015 -5.059 245 HB2 LYS 28 HB2 LYS 28 10.854 -9.928 -6.961 246 HB3 LYS 28 HB3 LYS 28 10.172 -8.611 -7.905 247 HG2 LYS 28 HG2 LYS 28 12.733 -8.428 -6.333 248 HG3 LYS 28 HG3 LYS 28 12.639 -8.793 -8.055 249 HD2 LYS 28 HD2 LYS 28 11.720 -6.647 -8.535 250 HD3 LYS 28 HD3 LYS 28 11.493 -6.296 -6.822 251 HE2 LYS 28 HE2 LYS 28 13.436 -5.125 -7.760 252 HE3 LYS 28 HE3 LYS 28 13.890 -6.245 -6.479 253 HZ1 LYS 28 HZ1 LYS 28 14.139 -6.745 -9.402 254 HZ2 LYS 28 HZ2 LYS 28 14.565 -7.837 -8.175 255 HZ3 LYS 28 HZ3 LYS 28 15.412 -6.382 -8.339 256 H SER 29 H SER 29 8.338 -8.093 -7.644 257 HA SER 29 HA SER 29 6.787 -5.960 -6.696 258 HB2 SER 29 HB2 SER 29 7.547 -4.245 -8.453 259 HB3 SER 29 HB3 SER 29 8.584 -4.455 -7.041 260 HG SER 29 HG SER 29 9.293 -6.198 -8.961 261 H THR 30 H THR 30 6.934 -8.567 -8.345 262 HA THR 30 HA THR 30 5.820 -7.695 -10.890 263 HB THR 30 HB THR 30 5.950 -10.191 -11.404 264 HG1 THR 30 HG1 THR 30 6.168 -11.178 -9.465 265 HG21 THR 30 HG21 THR 30 8.469 -8.668 -10.724 266 HG22 THR 30 HG22 THR 30 7.596 -8.622 -12.257 267 HG23 THR 30 HG23 THR 30 8.398 -10.107 -11.741 268 H GLU 31 H GLU 31 3.984 -7.043 -9.118 269 HA GLU 31 HA GLU 31 2.034 -9.242 -8.989 270 HB2 GLU 31 HB2 GLU 31 2.709 -7.382 -7.100 271 HB3 GLU 31 HB3 GLU 31 1.318 -6.611 -7.842 272 HG2 GLU 31 HG2 GLU 31 1.396 -9.336 -6.562 273 HG3 GLU 31 HG3 GLU 31 0.634 -7.887 -5.915 274 H GLY 32 H GLY 32 -0.140 -8.883 -9.764 275 HA2 GLY 32 HA2 GLY 32 -0.162 -7.264 -12.190 276 HA3 GLY 32 HA3 GLY 32 -1.377 -8.433 -11.704 277 H ASN 33 H ASN 33 -2.773 -7.801 -9.869 278 HA ASN 33 HA ASN 33 -4.033 -5.340 -10.423 279 HB2 ASN 33 HB2 ASN 33 -4.351 -7.237 -8.089 280 HB3 ASN 33 HB3 ASN 33 -5.376 -5.832 -8.344 281 HD21 ASN 33 HD21 ASN 33 -7.221 -7.087 -8.539 282 HD22 ASN 33 HD22 ASN 33 -7.537 -8.060 -9.939 283 H LEU 34 H LEU 34 -2.236 -6.419 -7.554 284 HA LEU 34 HA LEU 34 -2.296 -3.824 -6.339 285 HB2 LEU 34 HB2 LEU 34 -0.694 -6.306 -5.744 286 HB3 LEU 34 HB3 LEU 34 -0.669 -4.863 -4.753 287 HG LEU 34 HG LEU 34 -3.112 -6.561 -5.281 288 HD11 LEU 34 HD11 LEU 34 -1.507 -7.762 -3.932 289 HD12 LEU 34 HD12 LEU 34 -2.861 -7.238 -2.933 290 HD13 LEU 34 HD13 LEU 34 -1.326 -6.374 -2.862 291 HD21 LEU 34 HD21 LEU 34 -4.113 -5.240 -3.464 292 HD22 LEU 34 HD22 LEU 34 -3.699 -4.246 -4.861 293 HD23 LEU 34 HD23 LEU 34 -2.672 -4.222 -3.425 294 H GLY 35 H GLY 35 -0.216 -5.524 -8.490 295 HA2 GLY 35 HA2 GLY 35 2.159 -4.062 -8.242 296 HA3 GLY 35 HA3 GLY 35 1.602 -4.849 -9.713 297 H GLY 36 H GLY 36 -0.791 -3.379 -10.066 298 HA2 GLY 36 HA2 GLY 36 0.259 -0.975 -11.231 299 HA3 GLY 36 HA3 GLY 36 -1.429 -1.475 -11.214 300 H TRP 37 H TRP 37 -1.519 -1.786 -8.339 301 HA TRP 37 HA TRP 37 -2.373 0.804 -7.628 302 HB2 TRP 37 HB2 TRP 37 -2.997 -1.566 -6.670 303 HB3 TRP 37 HB3 TRP 37 -1.672 -1.247 -5.558 304 HD1 TRP 37 HD1 TRP 37 -4.726 0.816 -6.791 305 HE1 TRP 37 HE1 TRP 37 -5.809 1.935 -4.747 306 HE3 TRP 37 HE3 TRP 37 -1.586 -0.920 -3.143 307 HZ2 TRP 37 HZ2 TRP 37 -5.395 2.064 -1.961 308 HZ3 TRP 37 HZ3 TRP 37 -2.007 -0.256 -0.817 309 HH2 TRP 37 HH2 TRP 37 -3.872 1.207 -0.240 310 H CYS 38 H CYS 38 0.510 -1.065 -6.698 311 HA CYS 38 HA CYS 38 1.576 1.006 -5.062 312 HB2 CYS 38 HB2 CYS 38 3.659 -0.369 -5.105 313 HB3 CYS 38 HB3 CYS 38 2.223 -1.256 -4.607 314 HG CYS 38 HG CYS 38 2.014 -2.849 -6.722 315 H HIS 39 H HIS 39 1.879 0.184 -8.453 316 HA HIS 39 HA HIS 39 4.121 1.636 -9.190 317 HB2 HIS 39 HB2 HIS 39 1.705 0.671 -10.536 318 HB3 HIS 39 HB3 HIS 39 2.376 2.122 -11.273 319 HD1 HIS 39 HD1 HIS 39 2.980 -1.515 -10.842 320 HD2 HIS 39 HD2 HIS 39 4.951 1.791 -12.407 321 HE1 HIS 39 HE1 HIS 39 4.857 -2.442 -12.238 322 HE2 HIS 39 HE2 HIS 39 6.096 -0.422 -13.100 323 H THR 40 H THR 40 0.840 2.755 -8.597 324 HA THR 40 HA THR 40 1.314 5.462 -9.367 325 HB THR 40 HB THR 40 -0.862 4.244 -7.649 326 HG1 THR 40 HG1 THR 40 -1.815 3.768 -9.486 327 HG21 THR 40 HG21 THR 40 -2.147 6.279 -8.175 328 HG22 THR 40 HG22 THR 40 -0.724 6.964 -8.962 329 HG23 THR 40 HG23 THR 40 -0.703 6.635 -7.228 330 H GLN 41 H GLN 41 1.479 3.685 -6.327 331 HA GLN 41 HA GLN 41 1.615 6.133 -4.806 332 HB2 GLN 41 HB2 GLN 41 1.450 3.249 -4.067 333 HB3 GLN 41 HB3 GLN 41 1.812 4.490 -2.865 334 HG2 GLN 41 HG2 GLN 41 -0.235 5.524 -3.118 335 HG3 GLN 41 HG3 GLN 41 -0.511 4.806 -4.703 336 HE21 GLN 41 HE21 GLN 41 -1.163 2.695 -4.847 337 HE22 GLN 41 HE22 GLN 41 -1.907 1.897 -3.517 338 H ARG 42 H ARG 42 3.880 3.823 -6.066 339 HA ARG 42 HA ARG 42 5.997 4.483 -4.311 340 HB2 ARG 42 HB2 ARG 42 7.512 3.572 -6.027 341 HB3 ARG 42 HB3 ARG 42 6.177 2.492 -5.668 342 HG2 ARG 42 HG2 ARG 42 6.384 2.345 -7.964 343 HG3 ARG 42 HG3 ARG 42 5.078 3.512 -7.764 344 HD2 ARG 42 HD2 ARG 42 6.810 4.104 -9.490 345 HD3 ARG 42 HD3 ARG 42 6.507 5.333 -8.263 346 HE ARG 42 HE ARG 42 8.613 3.889 -7.277 347 HH11 ARG 42 HH11 ARG 42 8.009 5.518 -10.319 348 HH12 ARG 42 HH12 ARG 42 9.661 6.022 -10.527 349 HH21 ARG 42 HH21 ARG 42 10.788 4.579 -7.521 350 HH22 ARG 42 HH22 ARG 42 11.245 5.495 -8.929 351 H LYS 43 H LYS 43 4.622 6.035 -7.091 352 HA LYS 43 HA LYS 43 6.606 8.032 -7.466 353 HB2 LYS 43 HB2 LYS 43 3.624 8.258 -7.914 354 HB3 LYS 43 HB3 LYS 43 4.865 9.282 -8.612 355 HG2 LYS 43 HG2 LYS 43 5.492 7.719 -10.149 356 HG3 LYS 43 HG3 LYS 43 4.972 6.364 -9.140 357 HD2 LYS 43 HD2 LYS 43 3.529 6.756 -11.129 358 HD3 LYS 43 HD3 LYS 43 2.667 6.828 -9.595 359 HE2 LYS 43 HE2 LYS 43 1.906 8.625 -10.983 360 HE3 LYS 43 HE3 LYS 43 2.860 9.301 -9.669 361 HZ1 LYS 43 HZ1 LYS 43 4.073 8.730 -12.303 362 HZ2 LYS 43 HZ2 LYS 43 4.622 9.777 -11.088 363 HZ3 LYS 43 HZ3 LYS 43 3.259 10.185 -12.007 364 H MET 44 H MET 44 3.557 7.931 -5.686 365 HA MET 44 HA MET 44 3.568 10.469 -4.572 366 HB2 MET 44 HB2 MET 44 2.542 7.981 -3.199 367 HB3 MET 44 HB3 MET 44 2.001 9.628 -2.941 368 HG2 MET 44 HG2 MET 44 1.671 8.144 -5.530 369 HG3 MET 44 HG3 MET 44 0.453 8.196 -4.261 370 HE1 MET 44 HE1 MET 44 1.829 9.824 -7.413 371 HE2 MET 44 HE2 MET 44 2.806 10.725 -6.253 372 HE3 MET 44 HE3 MET 44 1.562 11.554 -7.187 373 H ARG 45 H ARG 45 5.153 7.515 -3.460 374 HA ARG 45 HA ARG 45 6.022 8.678 -0.985 375 HB2 ARG 45 HB2 ARG 45 5.624 6.246 -1.248 376 HB3 ARG 45 HB3 ARG 45 6.984 6.155 -2.356 377 HG2 ARG 45 HG2 ARG 45 7.520 7.324 0.303 378 HG3 ARG 45 HG3 ARG 45 7.167 5.599 0.249 379 HD2 ARG 45 HD2 ARG 45 9.224 6.894 -1.518 380 HD3 ARG 45 HD3 ARG 45 9.608 6.259 0.081 381 HE ARG 45 HE ARG 45 8.269 4.330 -1.538 382 HH11 ARG 45 HH11 ARG 45 11.385 5.834 -1.033 383 HH12 ARG 45 HH12 ARG 45 12.294 4.437 -1.526 384 HH21 ARG 45 HH21 ARG 45 9.469 2.485 -2.203 385 HH22 ARG 45 HH22 ARG 45 11.201 2.536 -2.163 386 H LYS 46 H LYS 46 7.502 8.041 -4.134 387 HA LYS 46 HA LYS 46 10.123 8.848 -3.440 388 HB2 LYS 46 HB2 LYS 46 9.271 7.540 -5.514 389 HB3 LYS 46 HB3 LYS 46 8.938 9.122 -6.199 390 HG2 LYS 46 HG2 LYS 46 11.658 8.363 -5.177 391 HG3 LYS 46 HG3 LYS 46 11.136 8.004 -6.823 392 HD2 LYS 46 HD2 LYS 46 11.251 10.752 -5.571 393 HD3 LYS 46 HD3 LYS 46 12.441 10.084 -6.691 394 HE2 LYS 46 HE2 LYS 46 10.677 9.879 -8.402 395 HE3 LYS 46 HE3 LYS 46 9.527 10.608 -7.280 396 HZ1 LYS 46 HZ1 LYS 46 10.967 12.594 -7.228 397 HZ2 LYS 46 HZ2 LYS 46 10.342 12.276 -8.773 398 HZ3 LYS 46 HZ3 LYS 46 11.955 11.892 -8.414 399 H GLN 47 H GLN 47 7.326 10.548 -4.756 400 HA GLN 47 HA GLN 47 8.596 13.065 -5.068 401 HB2 GLN 47 HB2 GLN 47 6.396 12.145 -6.087 402 HB3 GLN 47 HB3 GLN 47 5.654 12.675 -4.585 403 HG2 GLN 47 HG2 GLN 47 5.342 14.365 -6.224 404 HG3 GLN 47 HG3 GLN 47 6.501 14.954 -5.033 405 HE21 GLN 47 HE21 GLN 47 6.058 13.815 -8.291 406 HE22 GLN 47 HE22 GLN 47 7.581 14.359 -8.904 407 H GLY 48 H GLY 48 7.067 11.405 -2.425 408 HA2 GLY 48 HA2 GLY 48 7.325 11.893 -0.158 409 HA3 GLY 48 HA3 GLY 48 7.969 13.468 -0.595 410 H LYS 49 H LYS 49 4.920 12.089 -1.708 411 HA LYS 49 HA LYS 49 3.524 14.210 -0.209 412 HB2 LYS 49 HB2 LYS 49 1.947 14.380 -2.107 413 HB3 LYS 49 HB3 LYS 49 3.580 14.884 -2.509 414 HG2 LYS 49 HG2 LYS 49 3.971 12.973 -3.802 415 HG3 LYS 49 HG3 LYS 49 2.593 12.117 -3.106 416 HD2 LYS 49 HD2 LYS 49 2.349 14.603 -4.793 417 HD3 LYS 49 HD3 LYS 49 2.229 12.963 -5.434 418 HE2 LYS 49 HE2 LYS 49 0.330 12.516 -3.979 419 HE3 LYS 49 HE3 LYS 49 0.468 14.127 -3.277 420 HZ1 LYS 49 HZ1 LYS 49 -1.255 13.774 -5.083 421 HZ2 LYS 49 HZ2 LYS 49 0.041 13.731 -6.177 422 HZ3 LYS 49 HZ3 LYS 49 -0.239 15.120 -5.242 423 H LEU 50 H LEU 50 3.907 11.011 -0.394 424 HA LEU 50 HA LEU 50 1.288 9.975 -0.387 425 HB2 LEU 50 HB2 LEU 50 3.961 9.056 0.304 426 HB3 LEU 50 HB3 LEU 50 2.760 8.405 1.392 427 HG LEU 50 HG LEU 50 2.882 8.059 -1.603 428 HD11 LEU 50 HD11 LEU 50 3.151 5.689 -1.023 429 HD12 LEU 50 HD12 LEU 50 3.168 6.122 0.687 430 HD13 LEU 50 HD13 LEU 50 4.455 6.685 -0.379 431 HD21 LEU 50 HD21 LEU 50 0.930 6.619 -1.377 432 HD22 LEU 50 HD22 LEU 50 0.555 8.274 -0.895 433 HD23 LEU 50 HD23 LEU 50 0.811 7.034 0.332 434 HA PRO 51 HA PRO 51 -0.125 11.435 3.595 435 HB2 PRO 51 HB2 PRO 51 -2.311 9.873 3.836 436 HB3 PRO 51 HB3 PRO 51 -2.248 11.236 2.711 437 HG2 PRO 51 HG2 PRO 51 -1.865 8.316 2.177 438 HG3 PRO 51 HG3 PRO 51 -2.787 9.513 1.247 439 HD2 PRO 51 HD2 PRO 51 -0.286 8.705 0.557 440 HD3 PRO 51 HD3 PRO 51 -0.907 10.329 0.206 441 H ASN 52 H ASN 52 0.341 10.880 5.617 442 HA ASN 52 HA ASN 52 1.795 8.489 6.101 443 HB2 ASN 52 HB2 ASN 52 2.055 9.278 8.381 444 HB3 ASN 52 HB3 ASN 52 2.337 10.594 7.253 445 HD21 ASN 52 HD21 ASN 52 1.573 10.560 10.092 446 HD22 ASN 52 HD22 ASN 52 0.134 11.516 10.183 447 H ASP 53 H ASP 53 -1.521 9.395 6.553 448 HA ASP 53 HA ASP 53 -2.239 7.389 8.413 449 HB2 ASP 53 HB2 ASP 53 -3.831 8.857 6.319 450 HB3 ASP 53 HB3 ASP 53 -4.562 7.633 7.353 451 H ARG 54 H ARG 54 -2.509 7.412 4.861 452 HA ARG 54 HA ARG 54 -3.203 4.703 4.592 453 HB2 ARG 54 HB2 ARG 54 -3.619 5.929 2.679 454 HB3 ARG 54 HB3 ARG 54 -2.099 6.803 2.778 455 HG2 ARG 54 HG2 ARG 54 -0.929 5.176 1.684 456 HG3 ARG 54 HG3 ARG 54 -2.007 3.888 2.223 457 HD2 ARG 54 HD2 ARG 54 -2.075 4.573 -0.257 458 HD3 ARG 54 HD3 ARG 54 -3.594 4.367 0.608 459 HE ARG 54 HE ARG 54 -3.518 6.886 0.879 460 HH11 ARG 54 HH11 ARG 54 -2.050 5.236 -1.833 461 HH12 ARG 54 HH12 ARG 54 -2.263 6.573 -2.921 462 HH21 ARG 54 HH21 ARG 54 -3.815 8.647 -0.555 463 HH22 ARG 54 HH22 ARG 54 -3.255 8.509 -2.200 464 H ARG 55 H ARG 55 -0.078 6.343 4.509 465 HA ARG 55 HA ARG 55 1.633 4.199 4.186 466 HB2 ARG 55 HB2 ARG 55 2.501 6.421 4.208 467 HB3 ARG 55 HB3 ARG 55 1.886 6.723 5.825 468 HG2 ARG 55 HG2 ARG 55 3.837 4.523 5.559 469 HG3 ARG 55 HG3 ARG 55 4.446 6.157 5.290 470 HD2 ARG 55 HD2 ARG 55 3.567 6.844 7.462 471 HD3 ARG 55 HD3 ARG 55 2.934 5.226 7.734 472 HE ARG 55 HE ARG 55 5.808 5.897 7.546 473 HH11 ARG 55 HH11 ARG 55 3.197 3.912 8.768 474 HH12 ARG 55 HH12 ARG 55 4.224 2.928 9.765 475 HH21 ARG 55 HH21 ARG 55 7.170 4.640 8.917 476 HH22 ARG 55 HH22 ARG 55 6.475 3.368 9.874 477 H LEU 56 H LEU 56 0.018 5.290 7.144 478 HA LEU 56 HA LEU 56 1.272 3.413 8.871 479 HB2 LEU 56 HB2 LEU 56 0.052 5.577 9.486 480 HB3 LEU 56 HB3 LEU 56 -1.436 4.681 9.278 481 HG LEU 56 HG LEU 56 -0.637 4.955 11.651 482 HD11 LEU 56 HD11 LEU 56 -1.154 2.652 12.316 483 HD12 LEU 56 HD12 LEU 56 -0.991 2.139 10.635 484 HD13 LEU 56 HD13 LEU 56 -2.274 3.259 11.095 485 HD21 LEU 56 HD21 LEU 56 1.455 2.978 10.762 486 HD22 LEU 56 HD22 LEU 56 1.138 3.462 12.428 487 HD23 LEU 56 HD23 LEU 56 1.741 4.643 11.265 488 H LEU 57 H LEU 57 -1.812 3.449 7.115 489 HA LEU 57 HA LEU 57 -2.934 1.110 8.110 490 HB2 LEU 57 HB2 LEU 57 -3.128 2.155 5.284 491 HB3 LEU 57 HB3 LEU 57 -4.230 1.016 6.035 492 HG LEU 57 HG LEU 57 -3.839 3.895 6.867 493 HD11 LEU 57 HD11 LEU 57 -6.117 2.555 5.420 494 HD12 LEU 57 HD12 LEU 57 -4.968 3.697 4.725 495 HD13 LEU 57 HD13 LEU 57 -6.088 4.227 5.978 496 HD21 LEU 57 HD21 LEU 57 -4.420 2.494 8.766 497 HD22 LEU 57 HD22 LEU 57 -5.774 1.805 7.868 498 HD23 LEU 57 HD23 LEU 57 -5.785 3.514 8.309 499 H LEU 58 H LEU 58 -0.772 1.518 5.330 500 HA LEU 58 HA LEU 58 -0.756 -1.249 4.649 501 HB2 LEU 58 HB2 LEU 58 1.285 0.840 3.894 502 HB3 LEU 58 HB3 LEU 58 0.968 -0.674 3.068 503 HG LEU 58 HG LEU 58 -0.856 1.728 3.198 504 HD11 LEU 58 HD11 LEU 58 -0.515 1.773 0.771 505 HD12 LEU 58 HD12 LEU 58 0.611 0.424 0.911 506 HD13 LEU 58 HD13 LEU 58 1.001 1.976 1.652 507 HD21 LEU 58 HD21 LEU 58 -2.359 0.469 1.739 508 HD22 LEU 58 HD22 LEU 58 -2.168 -0.327 3.302 509 HD23 LEU 58 HD23 LEU 58 -1.318 -0.947 1.884 510 H ASP 59 H ASP 59 1.330 0.829 6.573 511 HA ASP 59 HA ASP 59 3.396 -1.085 6.962 512 HB2 ASP 59 HB2 ASP 59 3.782 1.310 7.239 513 HB3 ASP 59 HB3 ASP 59 2.636 1.362 8.572 514 H LYS 60 H LYS 60 0.301 -0.581 8.415 515 HA LYS 60 HA LYS 60 0.804 -1.782 10.918 516 HB2 LYS 60 HB2 LYS 60 -1.016 -0.188 10.409 517 HB3 LYS 60 HB3 LYS 60 -1.770 -1.398 9.387 518 HG2 LYS 60 HG2 LYS 60 -1.361 -2.600 11.887 519 HG3 LYS 60 HG3 LYS 60 -2.029 -0.990 12.185 520 HD2 LYS 60 HD2 LYS 60 -3.911 -2.307 11.893 521 HD3 LYS 60 HD3 LYS 60 -3.688 -1.576 10.312 522 HE2 LYS 60 HE2 LYS 60 -4.101 -3.821 9.844 523 HE3 LYS 60 HE3 LYS 60 -2.353 -3.669 9.736 524 HZ1 LYS 60 HZ1 LYS 60 -2.144 -4.583 11.948 525 HZ2 LYS 60 HZ2 LYS 60 -3.025 -5.651 10.967 526 HZ3 LYS 60 HZ3 LYS 60 -3.829 -4.684 12.108 527 H ILE 61 H ILE 61 -0.546 -2.955 7.839 528 HA ILE 61 HA ILE 61 -0.920 -5.620 8.813 529 HB ILE 61 HB ILE 61 -1.129 -6.228 6.365 530 HG12 ILE 61 HG12 ILE 61 -1.002 -3.225 6.021 531 HG13 ILE 61 HG13 ILE 61 0.218 -4.364 5.462 532 HG21 ILE 61 HG21 ILE 61 -2.936 -4.054 7.404 533 HG22 ILE 61 HG22 ILE 61 -3.048 -5.768 7.799 534 HG23 ILE 61 HG23 ILE 61 -3.332 -5.228 6.146 535 HD11 ILE 61 HD11 ILE 61 -1.445 -5.376 3.966 536 HD12 ILE 61 HD12 ILE 61 -1.183 -3.664 3.632 537 HD13 ILE 61 HD13 ILE 61 -2.628 -4.183 4.502 538 H GLY 62 H GLY 62 1.641 -3.914 7.104 539 HA2 GLY 62 HA2 GLY 62 3.844 -4.779 8.035 540 HA3 GLY 62 HA3 GLY 62 3.310 -6.326 7.400 541 H PHE 63 H PHE 63 2.794 -3.265 5.741 542 HA PHE 63 HA PHE 63 4.423 -4.253 3.553 543 HB2 PHE 63 HB2 PHE 63 2.157 -3.070 3.272 544 HB3 PHE 63 HB3 PHE 63 3.020 -1.583 3.654 545 HD1 PHE 63 HD1 PHE 63 2.910 -4.433 1.308 546 HD2 PHE 63 HD2 PHE 63 4.246 -0.449 1.994 547 HE1 PHE 63 HE1 PHE 63 3.578 -4.257 -1.048 548 HE2 PHE 63 HE2 PHE 63 4.919 -0.267 -0.364 549 HZ PHE 63 HZ PHE 63 4.586 -2.169 -1.890 550 H VAL 64 H VAL 64 6.492 -4.080 3.888 551 HA VAL 64 HA VAL 64 7.621 -2.035 5.516 552 HB VAL 64 HB VAL 64 8.481 -4.348 5.465 553 HG11 VAL 64 HG11 VAL 64 8.257 -4.825 3.102 554 HG12 VAL 64 HG12 VAL 64 9.918 -5.093 3.633 555 HG13 VAL 64 HG13 VAL 64 9.505 -3.639 2.724 556 HG21 VAL 64 HG21 VAL 64 10.495 -2.248 4.668 557 HG22 VAL 64 HG22 VAL 64 10.859 -3.767 5.489 558 HG23 VAL 64 HG23 VAL 64 9.882 -2.542 6.297 559 H TRP 65 H TRP 65 8.446 -0.163 4.931 560 HA TRP 65 HA TRP 65 8.294 0.631 2.145 561 HB2 TRP 65 HB2 TRP 65 8.981 2.271 4.596 562 HB3 TRP 65 HB3 TRP 65 8.628 2.900 2.989 563 HD1 TRP 65 HD1 TRP 65 6.943 1.638 6.139 564 HE1 TRP 65 HE1 TRP 65 4.399 1.962 5.928 565 HE3 TRP 65 HE3 TRP 65 6.693 2.930 1.197 566 HZ2 TRP 65 HZ2 TRP 65 2.538 2.679 3.940 567 HZ3 TRP 65 HZ3 TRP 65 4.491 3.414 0.218 568 HH2 TRP 65 HH2 TRP 65 2.456 3.287 1.562 569 H SER 66 H SER 66 10.687 0.007 4.600 570 HA SER 66 HA SER 66 12.951 -0.089 4.604 571 HB2 SER 66 HB2 SER 66 12.558 -0.327 1.615 572 HB3 SER 66 HB3 SER 66 14.051 -0.698 2.479 573 HG SER 66 HG SER 66 12.890 -2.312 3.628 574 H LEU 67 H LEU 67 11.617 2.506 4.386 575 HA LEU 67 HA LEU 67 13.284 4.182 2.752 576 HB2 LEU 67 HB2 LEU 67 10.808 4.547 3.511 577 HB3 LEU 67 HB3 LEU 67 11.528 5.182 4.975 578 HG LEU 67 HG LEU 67 10.880 6.938 3.349 579 HD11 LEU 67 HD11 LEU 67 12.626 7.421 4.958 580 HD12 LEU 67 HD12 LEU 67 12.979 8.204 3.416 581 HD13 LEU 67 HD13 LEU 67 13.839 6.734 3.879 582 HD21 LEU 67 HD21 LEU 67 12.170 7.242 1.313 583 HD22 LEU 67 HD22 LEU 67 11.339 5.686 1.299 584 HD23 LEU 67 HD23 LEU 67 13.067 5.761 1.643 585 H GLU 68 H GLU 68 15.354 3.714 3.474 586 HA GLU 68 HA GLU 68 15.993 4.243 6.281 587 HB2 GLU 68 HB2 GLU 68 17.738 3.076 4.102 588 HB3 GLU 68 HB3 GLU 68 18.107 3.130 5.819 589 HG2 GLU 68 HG2 GLU 68 15.808 1.613 4.613 590 HG3 GLU 68 HG3 GLU 68 17.369 0.913 5.027 591 H HIS 69 H HIS 69 15.786 6.549 6.085 592 HA HIS 69 HA HIS 69 17.785 7.862 4.398 593 HB2 HIS 69 HB2 HIS 69 15.552 8.766 4.199 594 HB3 HIS 69 HB3 HIS 69 15.429 8.961 5.942 595 HD1 HIS 69 HD1 HIS 69 15.564 11.340 6.528 596 HD2 HIS 69 HD2 HIS 69 18.045 10.413 3.325 597 HE1 HIS 69 HE1 HIS 69 16.721 13.491 5.923 598 HE2 HIS 69 HE2 HIS 69 18.380 12.845 4.138 599 H HIS 70 H HIS 70 19.609 8.596 5.191 600 HA HIS 70 HA HIS 70 20.208 8.276 7.991 601 HB2 HIS 70 HB2 HIS 70 21.788 7.781 6.069 602 HB3 HIS 70 HB3 HIS 70 21.942 9.518 5.847 603 HD1 HIS 70 HD1 HIS 70 22.754 6.794 8.332 604 HD2 HIS 70 HD2 HIS 70 23.738 10.758 7.534 605 HE1 HIS 70 HE1 HIS 70 24.701 7.329 9.838 606 HE2 HIS 70 HE2 HIS 70 25.165 9.777 9.461 607 H HIS 71 H HIS 71 20.532 9.859 9.513 608 HA HIS 71 HA HIS 71 19.279 12.400 9.013 609 HB2 HIS 71 HB2 HIS 71 20.652 11.235 11.433 610 HB3 HIS 71 HB3 HIS 71 20.046 12.886 11.399 611 HD1 HIS 71 HD1 HIS 71 19.084 9.676 12.507 612 HD2 HIS 71 HD2 HIS 71 17.090 12.779 10.581 613 HE1 HIS 71 HE1 HIS 71 16.641 9.304 12.970 614 HE2 HIS 71 HE2 HIS 71 15.465 11.268 11.921 615 H HIS 72 H HIS 72 20.243 14.465 9.338 616 HA HIS 72 HA HIS 72 23.115 14.653 9.600 617 HB2 HIS 72 HB2 HIS 72 23.571 15.839 7.575 618 HB3 HIS 72 HB3 HIS 72 22.717 14.375 7.112 619 HD1 HIS 72 HD1 HIS 72 22.801 17.852 6.366 620 HD2 HIS 72 HD2 HIS 72 19.756 15.037 6.810 621 HE1 HIS 72 HE1 HIS 72 20.791 18.824 5.206 622 HE2 HIS 72 HE2 HIS 72 18.919 17.203 5.657 623 H HIS 73 H HIS 73 23.779 16.690 10.323 624 HA HIS 73 HA HIS 73 21.575 18.582 10.872 625 HB2 HIS 73 HB2 HIS 73 22.671 17.515 12.889 626 HB3 HIS 73 HB3 HIS 73 24.154 18.347 12.436 627 HD1 HIS 73 HD1 HIS 73 24.479 20.482 13.627 628 HD2 HIS 73 HD2 HIS 73 20.448 19.552 13.191 629 HE1 HIS 73 HE1 HIS 73 23.225 22.341 14.769 630 HE2 HIS 73 HE2 HIS 73 20.793 21.851 14.325 631 H HIS 74 H HIS 74 24.411 18.007 9.199 632 HA HIS 74 HA HIS 74 25.009 20.843 8.810 633 HB2 HIS 74 HB2 HIS 74 26.890 19.271 9.210 634 HB3 HIS 74 HB3 HIS 74 26.436 18.385 7.758 635 HD1 HIS 74 HD1 HIS 74 27.353 19.206 5.585 636 HD2 HIS 74 HD2 HIS 74 27.882 21.936 8.678 637 HE1 HIS 74 HE1 HIS 74 28.839 21.007 4.656 638 HE2 HIS 74 HE2 HIS 74 29.342 22.507 6.617 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -8.221 -5.034 -15.054 2 H2 MET 1 H2 MET 1 -7.927 -3.896 -13.827 3 H3 MET 1 H3 MET 1 -6.820 -4.075 -15.101 4 HA MET 1 HA MET 1 -8.233 -2.087 -15.296 5 HB2 MET 1 HB2 MET 1 -7.195 -3.135 -17.270 6 HB3 MET 1 HB3 MET 1 -8.589 -4.191 -17.441 7 HG2 MET 1 HG2 MET 1 -10.010 -2.227 -17.833 8 HG3 MET 1 HG3 MET 1 -8.588 -1.193 -17.711 9 HE1 MET 1 HE1 MET 1 -6.603 -1.178 -19.459 10 HE2 MET 1 HE2 MET 1 -6.503 -2.271 -20.838 11 HE3 MET 1 HE3 MET 1 -6.354 -2.906 -19.200 12 H ASN 2 H ASN 2 -10.023 -1.644 -14.097 13 HA ASN 2 HA ASN 2 -12.509 -2.961 -14.951 14 HB2 ASN 2 HB2 ASN 2 -11.664 -2.509 -12.081 15 HB3 ASN 2 HB3 ASN 2 -13.296 -2.942 -12.573 16 HD21 ASN 2 HD21 ASN 2 -13.700 -5.018 -13.369 17 HD22 ASN 2 HD22 ASN 2 -12.596 -6.325 -13.087 18 H GLN 3 H GLN 3 -13.679 -1.378 -15.823 19 HA GLN 3 HA GLN 3 -13.656 1.279 -14.618 20 HB2 GLN 3 HB2 GLN 3 -14.944 0.171 -17.115 21 HB3 GLN 3 HB3 GLN 3 -15.246 1.803 -16.532 22 HG2 GLN 3 HG2 GLN 3 -12.859 2.305 -16.718 23 HG3 GLN 3 HG3 GLN 3 -12.570 0.674 -17.321 24 HE21 GLN 3 HE21 GLN 3 -15.001 0.600 -18.900 25 HE22 GLN 3 HE22 GLN 3 -14.731 1.621 -20.267 26 H ASN 4 H ASN 4 -15.049 -1.515 -13.914 27 HA ASN 4 HA ASN 4 -17.743 -0.841 -13.398 28 HB2 ASN 4 HB2 ASN 4 -16.806 -3.166 -13.485 29 HB3 ASN 4 HB3 ASN 4 -15.982 -2.847 -11.964 30 HD21 ASN 4 HD21 ASN 4 -19.021 -3.397 -13.514 31 HD22 ASN 4 HD22 ASN 4 -19.927 -3.696 -12.077 32 H LEU 5 H LEU 5 -18.486 0.557 -11.938 33 HA LEU 5 HA LEU 5 -16.730 1.833 -10.098 34 HB2 LEU 5 HB2 LEU 5 -19.565 2.122 -10.886 35 HB3 LEU 5 HB3 LEU 5 -19.139 2.701 -9.288 36 HG LEU 5 HG LEU 5 -17.486 4.218 -10.233 37 HD11 LEU 5 HD11 LEU 5 -18.361 3.167 -12.921 38 HD12 LEU 5 HD12 LEU 5 -16.799 2.876 -12.158 39 HD13 LEU 5 HD13 LEU 5 -17.252 4.510 -12.637 40 HD21 LEU 5 HD21 LEU 5 -18.995 5.733 -11.398 41 HD22 LEU 5 HD22 LEU 5 -19.788 4.993 -10.008 42 HD23 LEU 5 HD23 LEU 5 -20.145 4.417 -11.637 43 H GLN 6 H GLN 6 -15.964 0.599 -8.574 44 HA GLN 6 HA GLN 6 -17.737 -0.121 -6.401 45 HB2 GLN 6 HB2 GLN 6 -17.471 -2.171 -7.901 46 HB3 GLN 6 HB3 GLN 6 -15.764 -2.146 -7.495 47 HG2 GLN 6 HG2 GLN 6 -17.850 -2.285 -5.351 48 HG3 GLN 6 HG3 GLN 6 -17.344 -3.730 -6.219 49 HE21 GLN 6 HE21 GLN 6 -14.591 -2.847 -6.495 50 HE22 GLN 6 HE22 GLN 6 -13.869 -2.986 -4.931 51 H GLY 7 H GLY 7 -16.628 -0.026 -4.411 52 HA2 GLY 7 HA2 GLY 7 -14.698 1.921 -4.184 53 HA3 GLY 7 HA3 GLY 7 -15.017 0.716 -2.951 54 H GLU 8 H GLU 8 -12.798 1.903 -5.211 55 HA GLU 8 HA GLU 8 -11.277 -0.414 -5.734 56 HB2 GLU 8 HB2 GLU 8 -10.986 1.535 -7.124 57 HB3 GLU 8 HB3 GLU 8 -10.480 2.501 -5.743 58 HG2 GLU 8 HG2 GLU 8 -8.498 1.073 -5.489 59 HG3 GLU 8 HG3 GLU 8 -8.995 0.155 -6.906 60 H TRP 9 H TRP 9 -10.817 2.193 -3.355 61 HA TRP 9 HA TRP 9 -8.487 1.150 -2.219 62 HB2 TRP 9 HB2 TRP 9 -9.243 3.445 -1.824 63 HB3 TRP 9 HB3 TRP 9 -10.627 2.848 -0.918 64 HD1 TRP 9 HD1 TRP 9 -10.147 3.616 1.492 65 HE1 TRP 9 HE1 TRP 9 -8.207 3.320 3.155 66 HE3 TRP 9 HE3 TRP 9 -6.739 1.404 -1.619 67 HZ2 TRP 9 HZ2 TRP 9 -5.580 2.281 3.148 68 HZ3 TRP 9 HZ3 TRP 9 -4.539 0.787 -0.711 69 HH2 TRP 9 HH2 TRP 9 -3.974 1.218 1.624 70 H MET 10 H MET 10 -11.885 0.690 -1.286 71 HA MET 10 HA MET 10 -11.423 -0.965 0.933 72 HB2 MET 10 HB2 MET 10 -13.761 -0.909 -0.976 73 HB3 MET 10 HB3 MET 10 -13.741 -1.812 0.531 74 HG2 MET 10 HG2 MET 10 -13.412 1.173 0.330 75 HG3 MET 10 HG3 MET 10 -14.937 0.354 0.646 76 HE1 MET 10 HE1 MET 10 -11.418 0.836 3.577 77 HE2 MET 10 HE2 MET 10 -11.691 1.785 2.115 78 HE3 MET 10 HE3 MET 10 -11.180 0.102 1.992 79 H LYS 11 H LYS 11 -11.755 -1.726 -2.490 80 HA LYS 11 HA LYS 11 -11.644 -4.548 -2.201 81 HB2 LYS 11 HB2 LYS 11 -12.560 -3.487 -4.194 82 HB3 LYS 11 HB3 LYS 11 -11.004 -2.755 -4.552 83 HG2 LYS 11 HG2 LYS 11 -10.067 -5.041 -4.831 84 HG3 LYS 11 HG3 LYS 11 -11.701 -5.680 -4.639 85 HD2 LYS 11 HD2 LYS 11 -11.155 -5.482 -7.002 86 HD3 LYS 11 HD3 LYS 11 -12.431 -4.340 -6.574 87 HE2 LYS 11 HE2 LYS 11 -10.753 -2.550 -6.408 88 HE3 LYS 11 HE3 LYS 11 -9.498 -3.697 -6.869 89 HZ1 LYS 11 HZ1 LYS 11 -10.157 -2.425 -8.769 90 HZ2 LYS 11 HZ2 LYS 11 -11.790 -2.814 -8.533 91 HZ3 LYS 11 HZ3 LYS 11 -10.687 -4.024 -8.983 92 H ASN 12 H ASN 12 -9.221 -2.154 -3.205 93 HA ASN 12 HA ASN 12 -7.124 -3.987 -3.580 94 HB2 ASN 12 HB2 ASN 12 -7.161 -1.003 -3.165 95 HB3 ASN 12 HB3 ASN 12 -5.681 -1.899 -3.474 96 HD21 ASN 12 HD21 ASN 12 -5.382 -0.714 -5.373 97 HD22 ASN 12 HD22 ASN 12 -6.296 -1.041 -6.805 98 H TYR 13 H TYR 13 -8.170 -2.172 -0.758 99 HA TYR 13 HA TYR 13 -5.857 -2.422 0.793 100 HB2 TYR 13 HB2 TYR 13 -7.797 -0.976 1.371 101 HB3 TYR 13 HB3 TYR 13 -8.711 -2.419 1.793 102 HD1 TYR 13 HD1 TYR 13 -5.287 -1.111 2.575 103 HD2 TYR 13 HD2 TYR 13 -8.936 -2.706 4.067 104 HE1 TYR 13 HE1 TYR 13 -4.394 -0.994 4.863 105 HE2 TYR 13 HE2 TYR 13 -8.056 -2.592 6.361 106 HH TYR 13 HH TYR 13 -5.235 -0.868 7.167 107 H GLU 14 H GLU 14 -8.737 -4.526 0.705 108 HA GLU 14 HA GLU 14 -7.805 -6.457 2.506 109 HB2 GLU 14 HB2 GLU 14 -9.711 -6.721 0.180 110 HB3 GLU 14 HB3 GLU 14 -9.441 -7.986 1.371 111 HG2 GLU 14 HG2 GLU 14 -10.568 -5.245 1.865 112 HG3 GLU 14 HG3 GLU 14 -11.439 -6.777 1.916 113 H GLU 15 H GLU 15 -7.383 -6.138 -0.967 114 HA GLU 15 HA GLU 15 -6.130 -8.637 -1.394 115 HB2 GLU 15 HB2 GLU 15 -5.842 -6.069 -2.965 116 HB3 GLU 15 HB3 GLU 15 -5.382 -7.671 -3.523 117 HG2 GLU 15 HG2 GLU 15 -8.179 -6.783 -2.857 118 HG3 GLU 15 HG3 GLU 15 -7.502 -6.935 -4.476 119 H LEU 16 H LEU 16 -4.858 -5.375 -0.802 120 HA LEU 16 HA LEU 16 -2.123 -6.025 -0.936 121 HB2 LEU 16 HB2 LEU 16 -2.941 -3.725 -1.017 122 HB3 LEU 16 HB3 LEU 16 -3.514 -3.853 0.635 123 HG LEU 16 HG LEU 16 -1.140 -4.204 1.356 124 HD11 LEU 16 HD11 LEU 16 -0.568 -3.433 -1.501 125 HD12 LEU 16 HD12 LEU 16 -0.206 -4.981 -0.738 126 HD13 LEU 16 HD13 LEU 16 0.630 -3.522 -0.208 127 HD21 LEU 16 HD21 LEU 16 -0.526 -1.857 1.178 128 HD22 LEU 16 HD22 LEU 16 -2.243 -2.033 1.545 129 HD23 LEU 16 HD23 LEU 16 -1.728 -1.627 -0.093 130 H LYS 17 H LYS 17 -4.365 -5.865 1.817 131 HA LYS 17 HA LYS 17 -2.684 -6.501 3.911 132 HB2 LYS 17 HB2 LYS 17 -5.494 -7.490 3.388 133 HB3 LYS 17 HB3 LYS 17 -4.660 -7.658 4.925 134 HG2 LYS 17 HG2 LYS 17 -4.732 -5.366 5.345 135 HG3 LYS 17 HG3 LYS 17 -5.090 -4.979 3.659 136 HD2 LYS 17 HD2 LYS 17 -7.085 -4.731 4.988 137 HD3 LYS 17 HD3 LYS 17 -7.274 -6.093 3.896 138 HE2 LYS 17 HE2 LYS 17 -6.689 -7.618 5.744 139 HE3 LYS 17 HE3 LYS 17 -6.585 -6.234 6.831 140 HZ1 LYS 17 HZ1 LYS 17 -9.029 -7.033 5.333 141 HZ2 LYS 17 HZ2 LYS 17 -8.907 -5.781 6.470 142 HZ3 LYS 17 HZ3 LYS 17 -8.729 -7.391 6.963 143 H SER 18 H SER 18 -4.554 -8.754 1.937 144 HA SER 18 HA SER 18 -3.542 -11.131 2.936 145 HB2 SER 18 HB2 SER 18 -4.455 -10.604 0.100 146 HB3 SER 18 HB3 SER 18 -4.404 -12.169 0.911 147 HG SER 18 HG SER 18 -6.209 -10.076 1.187 148 H PHE 19 H PHE 19 -2.286 -9.175 0.229 149 HA PHE 19 HA PHE 19 -0.256 -10.945 -0.548 150 HB2 PHE 19 HB2 PHE 19 -0.952 -8.130 -1.004 151 HB3 PHE 19 HB3 PHE 19 0.760 -8.488 -1.138 152 HD1 PHE 19 HD2 PHE 19 1.560 -10.112 -2.819 153 HD2 PHE 19 HD1 PHE 19 -2.509 -8.878 -2.640 154 HE1 PHE 19 HE2 PHE 19 1.205 -10.965 -5.100 155 HE2 PHE 19 HE1 PHE 19 -2.868 -9.728 -4.921 156 HZ PHE 19 HZ PHE 19 -1.011 -10.772 -6.155 157 H VAL 20 H VAL 20 -0.201 -8.189 1.696 158 HA VAL 20 HA VAL 20 2.564 -8.520 2.269 159 HB VAL 20 HB VAL 20 0.422 -6.831 3.517 160 HG11 VAL 20 HG11 VAL 20 3.319 -6.983 4.363 161 HG12 VAL 20 HG12 VAL 20 1.953 -7.566 5.317 162 HG13 VAL 20 HG13 VAL 20 2.112 -5.845 4.967 163 HG21 VAL 20 HG21 VAL 20 2.979 -6.244 2.033 164 HG22 VAL 20 HG22 VAL 20 1.836 -5.035 2.628 165 HG23 VAL 20 HG23 VAL 20 1.350 -6.161 1.358 166 H ARG 21 H ARG 21 -0.387 -9.488 4.068 167 HA ARG 21 HA ARG 21 1.099 -10.433 6.281 168 HB2 ARG 21 HB2 ARG 21 -0.931 -11.715 6.907 169 HB3 ARG 21 HB3 ARG 21 -1.216 -10.010 6.627 170 HG2 ARG 21 HG2 ARG 21 -3.026 -10.926 5.608 171 HG3 ARG 21 HG3 ARG 21 -1.914 -10.823 4.246 172 HD2 ARG 21 HD2 ARG 21 -1.417 -13.135 4.371 173 HD3 ARG 21 HD3 ARG 21 -2.213 -13.290 5.940 174 HE ARG 21 HE ARG 21 -4.187 -12.397 4.290 175 HH11 ARG 21 HH11 ARG 21 -2.023 -15.150 4.272 176 HH12 ARG 21 HH12 ARG 21 -3.111 -16.154 3.366 177 HH21 ARG 21 HH21 ARG 21 -5.624 -13.711 3.118 178 HH22 ARG 21 HH22 ARG 21 -5.163 -15.337 2.703 179 H LYS 22 H LYS 22 0.687 -11.697 3.158 180 HA LYS 22 HA LYS 22 1.597 -14.338 3.876 181 HB2 LYS 22 HB2 LYS 22 0.857 -12.936 1.348 182 HB3 LYS 22 HB3 LYS 22 1.865 -14.361 1.260 183 HG2 LYS 22 HG2 LYS 22 0.088 -15.572 2.568 184 HG3 LYS 22 HG3 LYS 22 -0.926 -14.145 2.336 185 HD2 LYS 22 HD2 LYS 22 -0.763 -14.390 -0.077 186 HD3 LYS 22 HD3 LYS 22 0.319 -15.770 0.117 187 HE2 LYS 22 HE2 LYS 22 -1.516 -16.940 1.337 188 HE3 LYS 22 HE3 LYS 22 -2.579 -15.594 0.926 189 HZ1 LYS 22 HZ1 LYS 22 -2.858 -17.382 -0.646 190 HZ2 LYS 22 HZ2 LYS 22 -1.198 -17.391 -0.997 191 HZ3 LYS 22 HZ3 LYS 22 -2.149 -16.055 -1.431 192 H TYR 23 H TYR 23 2.922 -11.911 1.583 193 HA TYR 23 HA TYR 23 5.598 -12.953 2.281 194 HB2 TYR 23 HB2 TYR 23 4.722 -11.851 -0.394 195 HB3 TYR 23 HB3 TYR 23 6.271 -12.594 -0.019 196 HD1 TYR 23 HD2 TYR 23 6.320 -15.061 0.553 197 HD2 TYR 23 HD1 TYR 23 2.880 -13.151 -1.065 198 HE1 TYR 23 HE2 TYR 23 5.431 -17.250 -0.126 199 HE2 TYR 23 HE1 TYR 23 1.980 -15.336 -1.744 200 HH TYR 23 HH TYR 23 3.302 -18.298 -0.643 201 H ARG 24 H ARG 24 3.701 -10.233 2.470 202 HA ARG 24 HA ARG 24 4.059 -8.027 2.884 203 HB2 ARG 24 HB2 ARG 24 6.875 -9.006 3.310 204 HB3 ARG 24 HB3 ARG 24 6.470 -7.304 3.420 205 HG2 ARG 24 HG2 ARG 24 6.505 -8.174 5.620 206 HG3 ARG 24 HG3 ARG 24 4.813 -7.907 5.198 207 HD2 ARG 24 HD2 ARG 24 4.427 -10.197 4.865 208 HD3 ARG 24 HD3 ARG 24 6.145 -10.560 4.845 209 HE ARG 24 HE ARG 24 5.695 -9.531 7.340 210 HH11 ARG 24 HH11 ARG 24 4.302 -12.152 5.487 211 HH12 ARG 24 HH12 ARG 24 3.980 -13.145 6.877 212 HH21 ARG 24 HH21 ARG 24 5.284 -10.821 9.172 213 HH22 ARG 24 HH22 ARG 24 4.547 -12.381 8.978 214 H ARG 25 H ARG 25 4.572 -9.356 0.137 215 HA ARG 25 HA ARG 25 5.302 -6.957 -1.237 216 HB2 ARG 25 HB2 ARG 25 7.286 -7.882 -2.380 217 HB3 ARG 25 HB3 ARG 25 7.539 -7.723 -0.646 218 HG2 ARG 25 HG2 ARG 25 7.012 -10.148 -0.414 219 HG3 ARG 25 HG3 ARG 25 6.961 -10.255 -2.174 220 HD2 ARG 25 HD2 ARG 25 9.271 -9.581 -2.326 221 HD3 ARG 25 HD3 ARG 25 9.337 -9.294 -0.588 222 HE ARG 25 HE ARG 25 8.812 -11.996 -1.651 223 HH11 ARG 25 HH11 ARG 25 10.685 -9.788 0.314 224 HH12 ARG 25 HH12 ARG 25 11.696 -11.034 0.985 225 HH21 ARG 25 HH21 ARG 25 10.112 -13.643 -0.745 226 HH22 ARG 25 HH22 ARG 25 11.354 -13.229 0.396 227 H PHE 26 H PHE 26 5.531 -7.474 -3.676 228 HA PHE 26 HA PHE 26 3.516 -9.478 -4.406 229 HB2 PHE 26 HB2 PHE 26 4.608 -7.367 -6.249 230 HB3 PHE 26 HB3 PHE 26 3.078 -8.229 -6.356 231 HD1 PHE 26 HD1 PHE 26 1.368 -7.781 -4.466 232 HD2 PHE 26 HD2 PHE 26 4.692 -5.271 -5.325 233 HE1 PHE 26 HE1 PHE 26 0.261 -5.919 -3.295 234 HE2 PHE 26 HE2 PHE 26 3.596 -3.407 -4.159 235 HZ PHE 26 HZ PHE 26 1.380 -3.732 -3.140 236 HA PRO 27 HA PRO 27 7.432 -11.496 -5.771 237 HB2 PRO 27 HB2 PRO 27 5.944 -13.978 -5.390 238 HB3 PRO 27 HB3 PRO 27 7.423 -13.434 -4.596 239 HG2 PRO 27 HG2 PRO 27 5.055 -13.626 -3.297 240 HG3 PRO 27 HG3 PRO 27 6.287 -12.423 -2.874 241 HD2 PRO 27 HD2 PRO 27 3.787 -12.094 -4.491 242 HD3 PRO 27 HD3 PRO 27 4.484 -11.017 -3.263 243 H LYS 28 H LYS 28 4.105 -12.108 -6.660 244 HA LYS 28 HA LYS 28 4.959 -12.621 -9.424 245 HB2 LYS 28 HB2 LYS 28 2.768 -14.031 -7.886 246 HB3 LYS 28 HB3 LYS 28 2.956 -14.134 -9.630 247 HG2 LYS 28 HG2 LYS 28 5.093 -14.958 -7.680 248 HG3 LYS 28 HG3 LYS 28 3.883 -16.062 -8.339 249 HD2 LYS 28 HD2 LYS 28 4.663 -15.567 -10.602 250 HD3 LYS 28 HD3 LYS 28 5.866 -14.454 -9.949 251 HE2 LYS 28 HE2 LYS 28 6.822 -16.652 -10.514 252 HE3 LYS 28 HE3 LYS 28 6.976 -16.272 -8.802 253 HZ1 LYS 28 HZ1 LYS 28 4.805 -17.966 -9.916 254 HZ2 LYS 28 HZ2 LYS 28 5.196 -17.739 -8.279 255 HZ3 LYS 28 HZ3 LYS 28 6.258 -18.589 -9.294 256 H SER 29 H SER 29 4.317 -10.898 -10.567 257 HA SER 29 HA SER 29 2.041 -9.347 -9.700 258 HB2 SER 29 HB2 SER 29 4.149 -8.314 -10.626 259 HB3 SER 29 HB3 SER 29 3.685 -8.941 -12.208 260 HG SER 29 HG SER 29 2.172 -7.456 -12.370 261 H THR 30 H THR 30 0.618 -11.247 -9.974 262 HA THR 30 HA THR 30 -0.425 -11.394 -12.725 263 HB THR 30 HB THR 30 -1.746 -13.364 -11.806 264 HG1 THR 30 HG1 THR 30 -1.637 -13.319 -9.649 265 HG21 THR 30 HG21 THR 30 0.165 -14.914 -11.913 266 HG22 THR 30 HG22 THR 30 1.271 -13.549 -11.774 267 HG23 THR 30 HG23 THR 30 0.233 -13.703 -13.192 268 H GLU 31 H GLU 31 -0.732 -9.579 -10.152 269 HA GLU 31 HA GLU 31 -3.669 -9.517 -10.083 270 HB2 GLU 31 HB2 GLU 31 -1.916 -9.726 -7.999 271 HB3 GLU 31 HB3 GLU 31 -2.141 -7.984 -8.071 272 HG2 GLU 31 HG2 GLU 31 -4.295 -10.060 -7.749 273 HG3 GLU 31 HG3 GLU 31 -3.690 -8.963 -6.506 274 H GLY 32 H GLY 32 -4.615 -7.868 -11.119 275 HA2 GLY 32 HA2 GLY 32 -3.004 -5.895 -12.432 276 HA3 GLY 32 HA3 GLY 32 -4.755 -6.025 -12.503 277 H ASN 33 H ASN 33 -5.125 -5.865 -9.630 278 HA ASN 33 HA ASN 33 -5.363 -3.030 -9.496 279 HB2 ASN 33 HB2 ASN 33 -5.858 -5.178 -7.426 280 HB3 ASN 33 HB3 ASN 33 -6.248 -3.476 -7.197 281 HD21 ASN 33 HD21 ASN 33 -7.872 -5.995 -7.393 282 HD22 ASN 33 HD22 ASN 33 -9.079 -5.641 -8.582 283 H LEU 34 H LEU 34 -3.521 -5.369 -7.519 284 HA LEU 34 HA LEU 34 -2.068 -3.375 -6.116 285 HB2 LEU 34 HB2 LEU 34 -1.538 -6.290 -6.598 286 HB3 LEU 34 HB3 LEU 34 -0.415 -5.290 -5.706 287 HG LEU 34 HG LEU 34 -1.728 -6.460 -4.115 288 HD11 LEU 34 HD11 LEU 34 -2.847 -4.661 -2.907 289 HD12 LEU 34 HD12 LEU 34 -2.767 -3.646 -4.348 290 HD13 LEU 34 HD13 LEU 34 -1.282 -4.154 -3.543 291 HD21 LEU 34 HD21 LEU 34 -3.581 -7.091 -5.568 292 HD22 LEU 34 HD22 LEU 34 -4.181 -5.433 -5.528 293 HD23 LEU 34 HD23 LEU 34 -4.154 -6.395 -4.050 294 H GLY 35 H GLY 35 -1.540 -5.023 -9.157 295 HA2 GLY 35 HA2 GLY 35 1.131 -4.281 -9.617 296 HA3 GLY 35 HA3 GLY 35 -0.060 -4.614 -10.867 297 H GLY 36 H GLY 36 -1.899 -2.567 -10.266 298 HA2 GLY 36 HA2 GLY 36 -0.507 -0.279 -11.344 299 HA3 GLY 36 HA3 GLY 36 -2.226 -0.379 -10.990 300 H TRP 37 H TRP 37 -1.773 -1.295 -8.255 301 HA TRP 37 HA TRP 37 -1.857 1.146 -6.906 302 HB2 TRP 37 HB2 TRP 37 -2.570 -1.276 -6.181 303 HB3 TRP 37 HB3 TRP 37 -0.951 -1.324 -5.489 304 HD1 TRP 37 HD1 TRP 37 -4.196 0.720 -5.266 305 HE1 TRP 37 HE1 TRP 37 -4.307 1.828 -2.961 306 HE3 TRP 37 HE3 TRP 37 0.386 -0.668 -3.481 307 HZ2 TRP 37 HZ2 TRP 37 -2.671 2.068 -0.663 308 HZ3 TRP 37 HZ3 TRP 37 1.036 0.038 -1.222 309 HH2 TRP 37 HH2 TRP 37 -0.462 1.381 0.158 310 H CYS 38 H CYS 38 0.793 -1.255 -7.017 311 HA CYS 38 HA CYS 38 2.586 0.265 -5.472 312 HB2 CYS 38 HB2 CYS 38 4.342 -1.222 -6.495 313 HB3 CYS 38 HB3 CYS 38 2.998 -2.069 -5.735 314 HG CYS 38 HG CYS 38 1.839 -2.985 -7.980 315 H HIS 39 H HIS 39 2.079 0.113 -8.973 316 HA HIS 39 HA HIS 39 4.236 1.756 -9.721 317 HB2 HIS 39 HB2 HIS 39 1.666 0.954 -11.012 318 HB3 HIS 39 HB3 HIS 39 2.572 2.288 -11.713 319 HD1 HIS 39 HD1 HIS 39 2.434 -1.368 -11.548 320 HD2 HIS 39 HD2 HIS 39 5.230 1.530 -12.589 321 HE1 HIS 39 HE1 HIS 39 4.222 -2.580 -12.844 322 HE2 HIS 39 HE2 HIS 39 5.997 -0.843 -13.266 323 H THR 40 H THR 40 0.861 2.524 -8.979 324 HA THR 40 HA THR 40 1.067 5.305 -9.426 325 HB THR 40 HB THR 40 -0.872 3.876 -7.590 326 HG1 THR 40 HG1 THR 40 -1.204 2.931 -9.524 327 HG21 THR 40 HG21 THR 40 -2.357 5.760 -8.081 328 HG22 THR 40 HG22 THR 40 -1.105 6.495 -9.084 329 HG23 THR 40 HG23 THR 40 -0.856 6.325 -7.346 330 H GLN 41 H GLN 41 1.569 3.281 -6.590 331 HA GLN 41 HA GLN 41 1.744 5.460 -4.764 332 HB2 GLN 41 HB2 GLN 41 1.605 2.658 -4.591 333 HB3 GLN 41 HB3 GLN 41 3.116 3.120 -3.813 334 HG2 GLN 41 HG2 GLN 41 1.294 3.029 -2.212 335 HG3 GLN 41 HG3 GLN 41 1.924 4.666 -2.364 336 HE21 GLN 41 HE21 GLN 41 -0.208 3.123 -4.685 337 HE22 GLN 41 HE22 GLN 41 -1.578 4.142 -4.385 338 H ARG 42 H ARG 42 4.003 3.937 -6.901 339 HA ARG 42 HA ARG 42 6.411 4.722 -5.707 340 HB2 ARG 42 HB2 ARG 42 5.572 4.227 -8.535 341 HB3 ARG 42 HB3 ARG 42 7.149 4.937 -8.221 342 HG2 ARG 42 HG2 ARG 42 6.142 2.275 -7.228 343 HG3 ARG 42 HG3 ARG 42 7.364 2.551 -8.472 344 HD2 ARG 42 HD2 ARG 42 8.606 3.864 -6.619 345 HD3 ARG 42 HD3 ARG 42 7.541 2.994 -5.516 346 HE ARG 42 HE ARG 42 8.988 1.352 -7.421 347 HH11 ARG 42 HH11 ARG 42 8.848 2.645 -4.161 348 HH12 ARG 42 HH12 ARG 42 10.061 1.554 -3.548 349 HH21 ARG 42 HH21 ARG 42 10.547 -0.076 -6.617 350 HH22 ARG 42 HH22 ARG 42 11.012 -0.007 -4.946 351 H LYS 43 H LYS 43 4.239 6.490 -7.887 352 HA LYS 43 HA LYS 43 5.802 8.841 -8.016 353 HB2 LYS 43 HB2 LYS 43 2.800 8.569 -8.278 354 HB3 LYS 43 HB3 LYS 43 3.737 9.983 -8.729 355 HG2 LYS 43 HG2 LYS 43 3.789 9.125 -10.769 356 HG3 LYS 43 HG3 LYS 43 4.939 7.942 -10.141 357 HD2 LYS 43 HD2 LYS 43 3.094 6.865 -11.330 358 HD3 LYS 43 HD3 LYS 43 3.114 6.419 -9.626 359 HE2 LYS 43 HE2 LYS 43 0.842 6.879 -10.412 360 HE3 LYS 43 HE3 LYS 43 1.339 8.014 -9.162 361 HZ1 LYS 43 HZ1 LYS 43 1.420 8.594 -12.077 362 HZ2 LYS 43 HZ2 LYS 43 1.717 9.688 -10.813 363 HZ3 LYS 43 HZ3 LYS 43 0.161 9.059 -11.040 364 H MET 44 H MET 44 3.262 7.763 -5.838 365 HA MET 44 HA MET 44 2.808 10.148 -4.462 366 HB2 MET 44 HB2 MET 44 2.713 7.372 -3.275 367 HB3 MET 44 HB3 MET 44 1.870 8.794 -2.690 368 HG2 MET 44 HG2 MET 44 1.349 7.435 -5.325 369 HG3 MET 44 HG3 MET 44 0.409 7.204 -3.857 370 HE1 MET 44 HE1 MET 44 0.723 9.098 -7.113 371 HE2 MET 44 HE2 MET 44 1.769 10.158 -6.168 372 HE3 MET 44 HE3 MET 44 0.212 10.747 -6.751 373 H ARG 45 H ARG 45 5.172 7.591 -3.942 374 HA ARG 45 HA ARG 45 6.205 8.642 -1.516 375 HB2 ARG 45 HB2 ARG 45 6.441 6.280 -2.076 376 HB3 ARG 45 HB3 ARG 45 7.403 6.682 -3.485 377 HG2 ARG 45 HG2 ARG 45 8.309 7.463 -0.736 378 HG3 ARG 45 HG3 ARG 45 8.589 5.837 -1.360 379 HD2 ARG 45 HD2 ARG 45 9.872 6.699 -3.194 380 HD3 ARG 45 HD3 ARG 45 9.450 8.357 -2.773 381 HE ARG 45 HE ARG 45 11.347 6.621 -1.366 382 HH11 ARG 45 HH11 ARG 45 9.793 9.743 -1.698 383 HH12 ARG 45 HH12 ARG 45 11.013 10.596 -0.800 384 HH21 ARG 45 HH21 ARG 45 12.951 7.736 -0.166 385 HH22 ARG 45 HH22 ARG 45 12.812 9.451 0.080 386 H LYS 46 H LYS 46 7.348 8.821 -4.903 387 HA LYS 46 HA LYS 46 9.698 10.240 -4.110 388 HB2 LYS 46 HB2 LYS 46 10.267 10.296 -6.428 389 HB3 LYS 46 HB3 LYS 46 9.613 8.713 -6.071 390 HG2 LYS 46 HG2 LYS 46 7.503 9.336 -7.102 391 HG3 LYS 46 HG3 LYS 46 8.126 10.959 -7.417 392 HD2 LYS 46 HD2 LYS 46 9.939 9.934 -8.776 393 HD3 LYS 46 HD3 LYS 46 9.167 8.364 -8.549 394 HE2 LYS 46 HE2 LYS 46 7.145 9.213 -9.651 395 HE3 LYS 46 HE3 LYS 46 7.937 10.769 -9.892 396 HZ1 LYS 46 HZ1 LYS 46 9.639 9.607 -11.220 397 HZ2 LYS 46 HZ2 LYS 46 8.088 9.475 -11.891 398 HZ3 LYS 46 HZ3 LYS 46 8.762 8.163 -11.054 399 H GLN 47 H GLN 47 6.495 11.142 -5.014 400 HA GLN 47 HA GLN 47 7.206 13.885 -5.617 401 HB2 GLN 47 HB2 GLN 47 5.201 12.444 -6.528 402 HB3 GLN 47 HB3 GLN 47 4.408 12.981 -5.057 403 HG2 GLN 47 HG2 GLN 47 4.804 15.311 -5.703 404 HG3 GLN 47 HG3 GLN 47 5.547 14.754 -7.200 405 HE21 GLN 47 HE21 GLN 47 4.240 13.806 -8.793 406 HE22 GLN 47 HE22 GLN 47 2.521 14.027 -8.805 407 H GLY 48 H GLY 48 6.814 12.052 -2.862 408 HA2 GLY 48 HA2 GLY 48 6.868 12.630 -0.639 409 HA3 GLY 48 HA3 GLY 48 7.026 14.306 -1.140 410 H LYS 49 H LYS 49 4.389 12.099 -1.951 411 HA LYS 49 HA LYS 49 2.627 13.723 -0.244 412 HB2 LYS 49 HB2 LYS 49 0.925 13.717 -1.981 413 HB3 LYS 49 HB3 LYS 49 2.387 14.532 -2.508 414 HG2 LYS 49 HG2 LYS 49 2.944 12.846 -3.995 415 HG3 LYS 49 HG3 LYS 49 1.922 11.660 -3.177 416 HD2 LYS 49 HD2 LYS 49 0.863 14.079 -4.628 417 HD3 LYS 49 HD3 LYS 49 1.006 12.475 -5.353 418 HE2 LYS 49 HE2 LYS 49 -0.544 11.547 -3.809 419 HE3 LYS 49 HE3 LYS 49 -0.526 13.004 -2.818 420 HZ1 LYS 49 HZ1 LYS 49 -2.508 12.726 -4.291 421 HZ2 LYS 49 HZ2 LYS 49 -1.489 12.982 -5.624 422 HZ3 LYS 49 HZ3 LYS 49 -1.688 14.202 -4.459 423 H LEU 50 H LEU 50 3.799 10.821 -0.480 424 HA LEU 50 HA LEU 50 1.567 9.083 -0.560 425 HB2 LEU 50 HB2 LEU 50 4.363 8.919 0.015 426 HB3 LEU 50 HB3 LEU 50 3.506 8.143 1.329 427 HG LEU 50 HG LEU 50 3.294 7.408 -1.595 428 HD11 LEU 50 HD11 LEU 50 4.459 5.372 -0.919 429 HD12 LEU 50 HD12 LEU 50 4.602 5.996 0.724 430 HD13 LEU 50 HD13 LEU 50 5.439 6.804 -0.601 431 HD21 LEU 50 HD21 LEU 50 1.208 6.982 -0.391 432 HD22 LEU 50 HD22 LEU 50 2.102 6.079 0.833 433 HD23 LEU 50 HD23 LEU 50 2.028 5.481 -0.823 434 HA PRO 51 HA PRO 51 -0.448 10.416 3.155 435 HB2 PRO 51 HB2 PRO 51 -1.767 7.788 3.187 436 HB3 PRO 51 HB3 PRO 51 -2.471 9.399 3.012 437 HG2 PRO 51 HG2 PRO 51 -2.337 7.685 0.951 438 HG3 PRO 51 HG3 PRO 51 -2.152 9.435 0.726 439 HD2 PRO 51 HD2 PRO 51 -0.053 7.302 0.826 440 HD3 PRO 51 HD3 PRO 51 -0.178 8.716 -0.233 441 H ASN 52 H ASN 52 -0.080 10.337 5.215 442 HA ASN 52 HA ASN 52 1.777 8.515 6.374 443 HB2 ASN 52 HB2 ASN 52 -0.075 10.528 7.670 444 HB3 ASN 52 HB3 ASN 52 1.179 9.637 8.524 445 HD21 ASN 52 HD21 ASN 52 0.856 12.482 8.195 446 HD22 ASN 52 HD22 ASN 52 2.301 13.060 7.430 447 H ASP 53 H ASP 53 -1.685 8.747 6.238 448 HA ASP 53 HA ASP 53 -2.249 6.756 8.197 449 HB2 ASP 53 HB2 ASP 53 -3.948 8.336 7.602 450 HB3 ASP 53 HB3 ASP 53 -3.865 7.883 5.906 451 H ARG 54 H ARG 54 -2.082 6.739 4.667 452 HA ARG 54 HA ARG 54 -2.684 4.031 4.304 453 HB2 ARG 54 HB2 ARG 54 -2.661 5.854 2.554 454 HB3 ARG 54 HB3 ARG 54 -0.910 5.688 2.511 455 HG2 ARG 54 HG2 ARG 54 -1.124 3.385 1.786 456 HG3 ARG 54 HG3 ARG 54 -2.882 3.492 1.906 457 HD2 ARG 54 HD2 ARG 54 -1.829 5.634 0.292 458 HD3 ARG 54 HD3 ARG 54 -1.290 4.069 -0.318 459 HE ARG 54 HE ARG 54 -3.517 3.493 -0.757 460 HH11 ARG 54 HH11 ARG 54 -3.298 6.691 0.640 461 HH12 ARG 54 HH12 ARG 54 -4.879 7.177 0.112 462 HH21 ARG 54 HH21 ARG 54 -5.593 4.131 -1.470 463 HH22 ARG 54 HH22 ARG 54 -6.191 5.717 -1.074 464 H ARG 55 H ARG 55 0.459 5.665 4.706 465 HA ARG 55 HA ARG 55 2.011 3.318 4.355 466 HB2 ARG 55 HB2 ARG 55 3.846 4.559 5.437 467 HB3 ARG 55 HB3 ARG 55 3.053 5.525 4.201 468 HG2 ARG 55 HG2 ARG 55 1.815 6.716 5.921 469 HG3 ARG 55 HG3 ARG 55 2.597 5.747 7.164 470 HD2 ARG 55 HD2 ARG 55 3.747 7.804 7.095 471 HD3 ARG 55 HD3 ARG 55 4.792 6.632 6.307 472 HE ARG 55 HE ARG 55 3.126 8.052 4.462 473 HH11 ARG 55 HH11 ARG 55 6.084 8.188 6.296 474 HH12 ARG 55 HH12 ARG 55 6.867 9.318 5.237 475 HH21 ARG 55 HH21 ARG 55 4.110 9.589 3.063 476 HH22 ARG 55 HH22 ARG 55 5.717 10.141 3.395 477 H LEU 56 H LEU 56 0.327 4.729 7.089 478 HA LEU 56 HA LEU 56 1.575 3.133 9.088 479 HB2 LEU 56 HB2 LEU 56 0.284 5.291 9.432 480 HB3 LEU 56 HB3 LEU 56 -1.180 4.349 9.221 481 HG LEU 56 HG LEU 56 -0.557 2.971 11.177 482 HD11 LEU 56 HD11 LEU 56 1.709 4.939 11.460 483 HD12 LEU 56 HD12 LEU 56 1.859 3.227 11.063 484 HD13 LEU 56 HD13 LEU 56 1.251 3.714 12.645 485 HD21 LEU 56 HD21 LEU 56 -2.028 4.910 11.430 486 HD22 LEU 56 HD22 LEU 56 -0.623 5.937 11.714 487 HD23 LEU 56 HD23 LEU 56 -1.027 4.662 12.863 488 H LEU 57 H LEU 57 -1.319 2.809 7.108 489 HA LEU 57 HA LEU 57 -2.393 0.498 8.267 490 HB2 LEU 57 HB2 LEU 57 -2.441 1.275 5.347 491 HB3 LEU 57 HB3 LEU 57 -3.523 0.141 6.131 492 HG LEU 57 HG LEU 57 -3.375 3.106 6.668 493 HD11 LEU 57 HD11 LEU 57 -5.583 3.173 5.648 494 HD12 LEU 57 HD12 LEU 57 -5.493 1.443 5.319 495 HD13 LEU 57 HD13 LEU 57 -4.381 2.552 4.518 496 HD21 LEU 57 HD21 LEU 57 -5.255 1.039 7.800 497 HD22 LEU 57 HD22 LEU 57 -5.312 2.778 8.089 498 HD23 LEU 57 HD23 LEU 57 -3.949 1.829 8.680 499 H LEU 58 H LEU 58 0.105 0.920 5.819 500 HA LEU 58 HA LEU 58 0.469 -1.794 5.174 501 HB2 LEU 58 HB2 LEU 58 2.088 0.684 4.903 502 HB3 LEU 58 HB3 LEU 58 2.931 -0.844 4.761 503 HG LEU 58 HG LEU 58 1.457 -1.494 2.905 504 HD11 LEU 58 HD11 LEU 58 0.285 1.263 3.221 505 HD12 LEU 58 HD12 LEU 58 -0.539 -0.262 3.547 506 HD13 LEU 58 HD13 LEU 58 -0.052 0.142 1.901 507 HD21 LEU 58 HD21 LEU 58 2.318 0.100 1.252 508 HD22 LEU 58 HD22 LEU 58 3.559 -0.366 2.418 509 HD23 LEU 58 HD23 LEU 58 2.763 1.201 2.554 510 H ASP 59 H ASP 59 2.109 0.267 7.571 511 HA ASP 59 HA ASP 59 3.825 -1.735 8.547 512 HB2 ASP 59 HB2 ASP 59 4.223 0.614 9.045 513 HB3 ASP 59 HB3 ASP 59 2.727 0.697 9.968 514 H LYS 60 H LYS 60 0.526 -0.860 9.380 515 HA LYS 60 HA LYS 60 0.325 -2.458 11.699 516 HB2 LYS 60 HB2 LYS 60 -1.463 -0.869 10.018 517 HB3 LYS 60 HB3 LYS 60 -2.241 -2.270 10.735 518 HG2 LYS 60 HG2 LYS 60 -2.535 -0.366 12.173 519 HG3 LYS 60 HG3 LYS 60 -1.466 -1.530 12.955 520 HD2 LYS 60 HD2 LYS 60 0.472 -0.182 12.121 521 HD3 LYS 60 HD3 LYS 60 -0.687 1.027 11.564 522 HE2 LYS 60 HE2 LYS 60 0.156 1.697 13.712 523 HE3 LYS 60 HE3 LYS 60 -1.534 1.222 13.883 524 HZ1 LYS 60 HZ1 LYS 60 -0.168 0.337 15.673 525 HZ2 LYS 60 HZ2 LYS 60 0.811 -0.478 14.551 526 HZ3 LYS 60 HZ3 LYS 60 -0.815 -0.923 14.736 527 H ILE 61 H ILE 61 -0.410 -3.115 8.277 528 HA ILE 61 HA ILE 61 -1.418 -5.735 8.882 529 HB ILE 61 HB ILE 61 -1.356 -6.157 6.449 530 HG12 ILE 61 HG12 ILE 61 -0.301 -3.325 6.269 531 HG13 ILE 61 HG13 ILE 61 0.617 -4.780 5.901 532 HG21 ILE 61 HG21 ILE 61 -3.095 -4.551 5.864 533 HG22 ILE 61 HG22 ILE 61 -2.640 -3.549 7.240 534 HG23 ILE 61 HG23 ILE 61 -3.309 -5.158 7.509 535 HD11 ILE 61 HD11 ILE 61 -0.167 -3.687 3.879 536 HD12 ILE 61 HD12 ILE 61 -1.832 -3.828 4.438 537 HD13 ILE 61 HD13 ILE 61 -0.905 -5.280 4.063 538 H GLY 62 H GLY 62 1.684 -4.398 8.570 539 HA2 GLY 62 HA2 GLY 62 3.430 -5.751 9.578 540 HA3 GLY 62 HA3 GLY 62 2.764 -7.136 8.732 541 H PHE 63 H PHE 63 2.984 -4.177 6.978 542 HA PHE 63 HA PHE 63 4.716 -5.338 5.051 543 HB2 PHE 63 HB2 PHE 63 3.050 -3.655 4.436 544 HB3 PHE 63 HB3 PHE 63 3.867 -2.458 5.431 545 HD1 PHE 63 HD1 PHE 63 4.304 -4.614 2.443 546 HD2 PHE 63 HD2 PHE 63 5.575 -1.136 4.542 547 HE1 PHE 63 HE1 PHE 63 5.664 -3.950 0.508 548 HE2 PHE 63 HE2 PHE 63 6.939 -0.462 2.604 549 HZ PHE 63 HZ PHE 63 6.985 -1.871 0.587 550 H VAL 64 H VAL 64 6.817 -5.315 4.856 551 HA VAL 64 HA VAL 64 8.390 -4.032 6.936 552 HB VAL 64 HB VAL 64 8.745 -6.425 6.499 553 HG11 VAL 64 HG11 VAL 64 9.665 -5.554 3.766 554 HG12 VAL 64 HG12 VAL 64 8.219 -6.494 4.133 555 HG13 VAL 64 HG13 VAL 64 9.815 -7.181 4.435 556 HG21 VAL 64 HG21 VAL 64 11.084 -4.685 5.753 557 HG22 VAL 64 HG22 VAL 64 11.191 -6.373 6.254 558 HG23 VAL 64 HG23 VAL 64 10.594 -5.155 7.380 559 H TRP 65 H TRP 65 9.932 -2.473 6.509 560 HA TRP 65 HA TRP 65 9.630 -1.118 3.959 561 HB2 TRP 65 HB2 TRP 65 11.110 -0.366 6.487 562 HB3 TRP 65 HB3 TRP 65 11.088 0.630 5.035 563 HD1 TRP 65 HD1 TRP 65 9.059 -0.196 8.095 564 HE1 TRP 65 HE1 TRP 65 6.893 1.196 8.097 565 HE3 TRP 65 HE3 TRP 65 9.279 1.663 3.336 566 HZ2 TRP 65 HZ2 TRP 65 5.463 2.865 6.320 567 HZ3 TRP 65 HZ3 TRP 65 7.471 3.147 2.569 568 HH2 TRP 65 HH2 TRP 65 5.608 3.735 4.027 569 H SER 66 H SER 66 11.164 -3.708 4.521 570 HA SER 66 HA SER 66 12.848 -4.831 3.530 571 HB2 SER 66 HB2 SER 66 12.125 -3.538 1.516 572 HB3 SER 66 HB3 SER 66 13.307 -2.299 1.927 573 HG SER 66 HG SER 66 14.228 -3.670 0.437 574 H LEU 67 H LEU 67 15.363 -4.394 2.877 575 HA LEU 67 HA LEU 67 16.561 -3.513 5.367 576 HB2 LEU 67 HB2 LEU 67 17.725 -4.819 2.906 577 HB3 LEU 67 HB3 LEU 67 18.689 -4.328 4.282 578 HG LEU 67 HG LEU 67 17.214 -5.883 5.677 579 HD11 LEU 67 HD11 LEU 67 16.150 -7.723 4.465 580 HD12 LEU 67 HD12 LEU 67 16.507 -6.915 2.938 581 HD13 LEU 67 HD13 LEU 67 15.399 -6.172 4.090 582 HD21 LEU 67 HD21 LEU 67 18.989 -7.066 3.549 583 HD22 LEU 67 HD22 LEU 67 18.542 -7.831 5.073 584 HD23 LEU 67 HD23 LEU 67 19.528 -6.371 5.079 585 H GLU 68 H GLU 68 17.814 -1.734 5.626 586 HA GLU 68 HA GLU 68 18.281 -0.066 3.246 587 HB2 GLU 68 HB2 GLU 68 17.855 1.939 4.587 588 HB3 GLU 68 HB3 GLU 68 16.441 0.897 4.561 589 HG2 GLU 68 HG2 GLU 68 16.900 0.125 6.787 590 HG3 GLU 68 HG3 GLU 68 18.435 0.993 6.814 591 H HIS 69 H HIS 69 20.172 1.227 3.294 592 HA HIS 69 HA HIS 69 22.203 0.330 5.187 593 HB2 HIS 69 HB2 HIS 69 22.249 1.734 2.562 594 HB3 HIS 69 HB3 HIS 69 23.558 2.076 3.689 595 HD1 HIS 69 HD1 HIS 69 22.414 -0.402 1.241 596 HD2 HIS 69 HD2 HIS 69 25.076 -0.269 4.432 597 HE1 HIS 69 HE1 HIS 69 23.876 -2.426 0.986 598 HE2 HIS 69 HE2 HIS 69 25.627 -2.175 2.776 599 H HIS 70 H HIS 70 21.718 1.238 7.070 600 HA HIS 70 HA HIS 70 21.112 4.110 7.164 601 HB2 HIS 70 HB2 HIS 70 19.622 2.295 8.241 602 HB3 HIS 70 HB3 HIS 70 20.886 2.168 9.457 603 HD1 HIS 70 HD1 HIS 70 18.011 4.200 8.406 604 HD2 HIS 70 HD2 HIS 70 21.177 4.519 11.089 605 HE1 HIS 70 HE1 HIS 70 17.394 6.077 9.970 606 HE2 HIS 70 HE2 HIS 70 19.208 6.083 11.720 607 H HIS 71 H HIS 71 22.630 5.482 7.849 608 HA HIS 71 HA HIS 71 25.226 4.529 8.498 609 HB2 HIS 71 HB2 HIS 71 24.031 7.301 8.648 610 HB3 HIS 71 HB3 HIS 71 25.734 6.950 8.939 611 HD1 HIS 71 HD1 HIS 71 24.268 8.597 6.482 612 HD2 HIS 71 HD2 HIS 71 26.149 4.890 6.385 613 HE1 HIS 71 HE1 HIS 71 24.911 8.218 4.080 614 HE2 HIS 71 HE2 HIS 71 25.835 5.873 4.021 615 H HIS 72 H HIS 72 25.999 3.900 10.338 616 HA HIS 72 HA HIS 72 24.298 3.589 12.553 617 HB2 HIS 72 HB2 HIS 72 26.176 2.537 13.660 618 HB3 HIS 72 HB3 HIS 72 26.111 2.007 11.985 619 HD1 HIS 72 HD1 HIS 72 27.950 3.088 10.359 620 HD2 HIS 72 HD2 HIS 72 28.546 3.677 14.433 621 HE1 HIS 72 HE1 HIS 72 30.353 3.790 10.604 622 HE2 HIS 72 HE2 HIS 72 30.742 3.882 13.091 623 H HIS 73 H HIS 73 23.945 4.752 14.303 624 HA HIS 73 HA HIS 73 25.522 7.184 14.715 625 HB2 HIS 73 HB2 HIS 73 22.958 6.227 16.006 626 HB3 HIS 73 HB3 HIS 73 23.784 7.720 16.435 627 HD1 HIS 73 HD1 HIS 73 24.240 9.237 14.022 628 HD2 HIS 73 HD2 HIS 73 20.921 6.747 14.329 629 HE1 HIS 73 HE1 HIS 73 22.589 10.090 12.326 630 HE2 HIS 73 HE2 HIS 73 20.508 8.718 12.703 631 H HIS 74 H HIS 74 25.271 3.994 15.764 632 HA HIS 74 HA HIS 74 26.891 4.583 18.154 633 HB2 HIS 74 HB2 HIS 74 25.519 1.981 17.430 634 HB3 HIS 74 HB3 HIS 74 26.361 2.331 18.932 635 HD1 HIS 74 HD1 HIS 74 25.123 3.846 20.661 636 HD2 HIS 74 HD2 HIS 74 22.922 2.918 17.257 637 HE1 HIS 74 HE1 HIS 74 22.745 4.460 21.201 638 HE2 HIS 74 HE2 HIS 74 21.410 3.681 19.206 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -11.304 -5.275 -16.115 2 H2 MET 1 H2 MET 1 -11.732 -3.731 -16.670 3 H3 MET 1 H3 MET 1 -12.890 -4.706 -15.910 4 HA MET 1 HA MET 1 -11.605 -4.632 -13.856 5 HB2 MET 1 HB2 MET 1 -9.409 -4.209 -14.836 6 HB3 MET 1 HB3 MET 1 -9.948 -2.641 -15.421 7 HG2 MET 1 HG2 MET 1 -8.575 -2.407 -13.437 8 HG3 MET 1 HG3 MET 1 -10.223 -1.863 -13.136 9 HE1 MET 1 HE1 MET 1 -8.501 -5.869 -11.607 10 HE2 MET 1 HE2 MET 1 -7.580 -4.694 -12.547 11 HE3 MET 1 HE3 MET 1 -8.898 -5.590 -13.303 12 H ASN 2 H ASN 2 -12.855 -3.578 -12.488 13 HA ASN 2 HA ASN 2 -14.408 -1.317 -13.478 14 HB2 ASN 2 HB2 ASN 2 -15.801 -1.689 -11.455 15 HB3 ASN 2 HB3 ASN 2 -15.690 -3.114 -12.480 16 HD21 ASN 2 HD21 ASN 2 -16.330 -2.851 -9.632 17 HD22 ASN 2 HD22 ASN 2 -15.188 -3.850 -8.795 18 H GLN 3 H GLN 3 -14.879 0.443 -11.886 19 HA GLN 3 HA GLN 3 -12.753 0.953 -9.970 20 HB2 GLN 3 HB2 GLN 3 -12.419 3.257 -10.844 21 HB3 GLN 3 HB3 GLN 3 -11.866 2.004 -11.944 22 HG2 GLN 3 HG2 GLN 3 -13.918 2.271 -13.263 23 HG3 GLN 3 HG3 GLN 3 -14.443 3.547 -12.167 24 HE21 GLN 3 HE21 GLN 3 -13.436 5.544 -12.235 25 HE22 GLN 3 HE22 GLN 3 -12.402 6.014 -13.539 26 H ASN 4 H ASN 4 -13.266 2.909 -8.635 27 HA ASN 4 HA ASN 4 -16.185 3.220 -8.357 28 HB2 ASN 4 HB2 ASN 4 -14.131 2.881 -6.159 29 HB3 ASN 4 HB3 ASN 4 -15.811 3.329 -5.885 30 HD21 ASN 4 HD21 ASN 4 -17.423 1.799 -6.213 31 HD22 ASN 4 HD22 ASN 4 -17.076 0.103 -6.283 32 H LEU 5 H LEU 5 -16.775 5.168 -7.074 33 HA LEU 5 HA LEU 5 -15.383 7.493 -7.970 34 HB2 LEU 5 HB2 LEU 5 -17.396 7.280 -5.723 35 HB3 LEU 5 HB3 LEU 5 -16.962 8.733 -6.605 36 HG LEU 5 HG LEU 5 -18.416 6.348 -7.754 37 HD11 LEU 5 HD11 LEU 5 -19.807 7.609 -6.226 38 HD12 LEU 5 HD12 LEU 5 -20.319 7.887 -7.890 39 HD13 LEU 5 HD13 LEU 5 -19.378 9.111 -7.041 40 HD21 LEU 5 HD21 LEU 5 -17.703 9.001 -9.002 41 HD22 LEU 5 HD22 LEU 5 -18.716 7.755 -9.731 42 HD23 LEU 5 HD23 LEU 5 -17.011 7.433 -9.420 43 H GLN 6 H GLN 6 -15.731 5.826 -4.905 44 HA GLN 6 HA GLN 6 -13.060 6.321 -4.091 45 HB2 GLN 6 HB2 GLN 6 -13.553 7.622 -2.062 46 HB3 GLN 6 HB3 GLN 6 -13.972 8.527 -3.510 47 HG2 GLN 6 HG2 GLN 6 -16.315 7.991 -3.198 48 HG3 GLN 6 HG3 GLN 6 -15.922 7.016 -1.782 49 HE21 GLN 6 HE21 GLN 6 -15.301 8.032 0.118 50 HE22 GLN 6 HE22 GLN 6 -15.614 9.719 0.393 51 H GLY 7 H GLY 7 -12.618 5.201 -2.042 52 HA2 GLY 7 HA2 GLY 7 -13.319 3.751 -0.272 53 HA3 GLY 7 HA3 GLY 7 -14.793 3.416 -1.170 54 H GLU 8 H GLU 8 -12.172 3.452 -3.219 55 HA GLU 8 HA GLU 8 -12.214 0.612 -3.597 56 HB2 GLU 8 HB2 GLU 8 -10.520 0.981 -5.293 57 HB3 GLU 8 HB3 GLU 8 -11.789 2.184 -5.466 58 HG2 GLU 8 HG2 GLU 8 -9.306 2.788 -3.914 59 HG3 GLU 8 HG3 GLU 8 -9.332 2.913 -5.670 60 H TRP 9 H TRP 9 -10.520 2.824 -1.646 61 HA TRP 9 HA TRP 9 -8.090 1.666 -1.096 62 HB2 TRP 9 HB2 TRP 9 -9.563 3.691 -0.009 63 HB3 TRP 9 HB3 TRP 9 -9.636 2.503 1.283 64 HD1 TRP 9 HD1 TRP 9 -7.935 5.429 0.857 65 HE1 TRP 9 HE1 TRP 9 -5.515 5.429 1.718 66 HE3 TRP 9 HE3 TRP 9 -7.120 0.368 1.044 67 HZ2 TRP 9 HZ2 TRP 9 -3.521 3.540 2.379 68 HZ3 TRP 9 HZ3 TRP 9 -4.918 -0.443 1.796 69 HH2 TRP 9 HH2 TRP 9 -3.165 1.111 2.449 70 H MET 10 H MET 10 -11.220 0.929 0.421 71 HA MET 10 HA MET 10 -10.310 -1.077 2.149 72 HB2 MET 10 HB2 MET 10 -13.054 -0.768 0.911 73 HB3 MET 10 HB3 MET 10 -12.674 -1.725 2.332 74 HG2 MET 10 HG2 MET 10 -13.622 0.287 3.107 75 HG3 MET 10 HG3 MET 10 -11.893 0.391 3.429 76 HE1 MET 10 HE1 MET 10 -13.551 2.996 3.620 77 HE2 MET 10 HE2 MET 10 -12.565 4.113 2.676 78 HE3 MET 10 HE3 MET 10 -11.792 2.939 3.745 79 H LYS 11 H LYS 11 -11.447 -1.197 -1.168 80 HA LYS 11 HA LYS 11 -11.528 -4.035 -1.375 81 HB2 LYS 11 HB2 LYS 11 -12.707 -2.313 -2.859 82 HB3 LYS 11 HB3 LYS 11 -11.158 -2.089 -3.657 83 HG2 LYS 11 HG2 LYS 11 -12.389 -4.807 -3.435 84 HG3 LYS 11 HG3 LYS 11 -12.887 -3.686 -4.699 85 HD2 LYS 11 HD2 LYS 11 -10.066 -4.641 -4.214 86 HD3 LYS 11 HD3 LYS 11 -11.149 -5.240 -5.473 87 HE2 LYS 11 HE2 LYS 11 -11.257 -2.959 -6.411 88 HE3 LYS 11 HE3 LYS 11 -10.104 -2.425 -5.191 89 HZ1 LYS 11 HZ1 LYS 11 -8.485 -3.988 -6.089 90 HZ2 LYS 11 HZ2 LYS 11 -9.001 -2.889 -7.279 91 HZ3 LYS 11 HZ3 LYS 11 -9.594 -4.476 -7.280 92 H ASN 12 H ASN 12 -9.179 -1.572 -2.407 93 HA ASN 12 HA ASN 12 -7.215 -3.336 -3.398 94 HB2 ASN 12 HB2 ASN 12 -7.032 -0.524 -2.295 95 HB3 ASN 12 HB3 ASN 12 -5.664 -1.365 -3.008 96 HD21 ASN 12 HD21 ASN 12 -5.532 0.291 -4.565 97 HD22 ASN 12 HD22 ASN 12 -6.624 0.349 -5.913 98 H TYR 13 H TYR 13 -7.893 -2.082 -0.198 99 HA TYR 13 HA TYR 13 -5.486 -2.760 1.071 100 HB2 TYR 13 HB2 TYR 13 -7.439 -1.311 1.943 101 HB3 TYR 13 HB3 TYR 13 -8.177 -2.824 2.438 102 HD1 TYR 13 HD2 TYR 13 -5.544 -4.183 3.323 103 HD2 TYR 13 HD1 TYR 13 -7.197 -0.342 4.083 104 HE1 TYR 13 HE2 TYR 13 -4.299 -4.073 5.435 105 HE2 TYR 13 HE1 TYR 13 -5.952 -0.221 6.198 106 HH TYR 13 HH TYR 13 -3.405 -2.195 6.945 107 H GLU 14 H GLU 14 -8.591 -4.554 0.959 108 HA GLU 14 HA GLU 14 -7.619 -6.716 2.471 109 HB2 GLU 14 HB2 GLU 14 -9.597 -7.933 1.750 110 HB3 GLU 14 HB3 GLU 14 -10.005 -6.290 2.211 111 HG2 GLU 14 HG2 GLU 14 -10.222 -5.638 -0.086 112 HG3 GLU 14 HG3 GLU 14 -9.627 -7.206 -0.628 113 H GLU 15 H GLU 15 -7.448 -6.027 -0.957 114 HA GLU 15 HA GLU 15 -6.628 -8.591 -1.829 115 HB2 GLU 15 HB2 GLU 15 -5.917 -5.872 -2.949 116 HB3 GLU 15 HB3 GLU 15 -5.640 -7.402 -3.764 117 HG2 GLU 15 HG2 GLU 15 -8.095 -7.788 -3.725 118 HG3 GLU 15 HG3 GLU 15 -8.288 -6.156 -3.081 119 H LEU 16 H LEU 16 -4.927 -5.853 -0.441 120 HA LEU 16 HA LEU 16 -2.326 -7.017 -1.028 121 HB2 LEU 16 HB2 LEU 16 -2.875 -4.541 -1.251 122 HB3 LEU 16 HB3 LEU 16 -2.939 -4.487 0.497 123 HG LEU 16 HG LEU 16 -0.768 -3.755 -0.721 124 HD11 LEU 16 HD11 LEU 16 0.586 -4.498 1.149 125 HD12 LEU 16 HD12 LEU 16 -0.653 -5.671 1.590 126 HD13 LEU 16 HD13 LEU 16 -0.998 -3.943 1.693 127 HD21 LEU 16 HD21 LEU 16 -0.530 -5.710 -2.138 128 HD22 LEU 16 HD22 LEU 16 -0.428 -6.746 -0.716 129 HD23 LEU 16 HD23 LEU 16 0.844 -5.569 -1.042 130 H LYS 17 H LYS 17 -4.465 -6.374 1.643 131 HA LYS 17 HA LYS 17 -2.784 -6.956 3.786 132 HB2 LYS 17 HB2 LYS 17 -4.981 -5.940 4.038 133 HB3 LYS 17 HB3 LYS 17 -5.753 -7.411 3.466 134 HG2 LYS 17 HG2 LYS 17 -5.055 -8.602 5.407 135 HG3 LYS 17 HG3 LYS 17 -4.086 -7.230 5.950 136 HD2 LYS 17 HD2 LYS 17 -6.104 -5.882 6.191 137 HD3 LYS 17 HD3 LYS 17 -7.084 -7.233 5.613 138 HE2 LYS 17 HE2 LYS 17 -6.478 -8.557 7.530 139 HE3 LYS 17 HE3 LYS 17 -5.352 -7.316 8.079 140 HZ1 LYS 17 HZ1 LYS 17 -7.104 -5.869 8.602 141 HZ2 LYS 17 HZ2 LYS 17 -7.593 -7.384 9.201 142 HZ3 LYS 17 HZ3 LYS 17 -8.245 -6.791 7.753 143 H SER 18 H SER 18 -4.921 -9.090 1.933 144 HA SER 18 HA SER 18 -4.149 -11.468 3.282 145 HB2 SER 18 HB2 SER 18 -6.281 -11.142 1.989 146 HB3 SER 18 HB3 SER 18 -5.333 -11.187 0.506 147 HG SER 18 HG SER 18 -6.225 -13.218 0.976 148 H PHE 19 H PHE 19 -2.830 -9.636 0.645 149 HA PHE 19 HA PHE 19 -1.197 -11.728 -0.421 150 HB2 PHE 19 HB2 PHE 19 -1.987 -9.673 -1.671 151 HB3 PHE 19 HB3 PHE 19 -0.803 -8.751 -0.752 152 HD1 PHE 19 HD1 PHE 19 1.583 -9.034 -1.165 153 HD2 PHE 19 HD2 PHE 19 -1.332 -11.160 -3.422 154 HE1 PHE 19 HE1 PHE 19 3.291 -9.586 -2.843 155 HE2 PHE 19 HE2 PHE 19 0.376 -11.722 -5.101 156 HZ PHE 19 HZ PHE 19 2.690 -10.937 -4.812 157 H VAL 20 H VAL 20 -0.545 -8.850 1.570 158 HA VAL 20 HA VAL 20 2.206 -9.313 1.871 159 HB VAL 20 HB VAL 20 1.071 -7.135 2.299 160 HG11 VAL 20 HG11 VAL 20 0.096 -6.704 4.485 161 HG12 VAL 20 HG12 VAL 20 0.301 -8.400 4.920 162 HG13 VAL 20 HG13 VAL 20 -0.804 -7.952 3.620 163 HG21 VAL 20 HG21 VAL 20 2.843 -8.184 4.498 164 HG22 VAL 20 HG22 VAL 20 2.518 -6.481 4.184 165 HG23 VAL 20 HG23 VAL 20 3.365 -7.454 2.981 166 H ARG 21 H ARG 21 -0.537 -10.501 3.763 167 HA ARG 21 HA ARG 21 1.145 -11.484 5.871 168 HB2 ARG 21 HB2 ARG 21 -0.878 -12.606 6.719 169 HB3 ARG 21 HB3 ARG 21 -1.145 -10.902 6.399 170 HG2 ARG 21 HG2 ARG 21 -3.058 -11.791 5.542 171 HG3 ARG 21 HG3 ARG 21 -2.042 -11.811 4.102 172 HD2 ARG 21 HD2 ARG 21 -1.468 -14.167 4.595 173 HD3 ARG 21 HD3 ARG 21 -2.595 -14.127 5.952 174 HE ARG 21 HE ARG 21 -4.113 -13.319 3.865 175 HH11 ARG 21 HH11 ARG 21 -2.110 -16.135 4.448 176 HH12 ARG 21 HH12 ARG 21 -2.981 -17.133 3.314 177 HH21 ARG 21 HH21 ARG 21 -5.231 -14.605 2.374 178 HH22 ARG 21 HH22 ARG 21 -4.761 -16.263 2.128 179 H LYS 22 H LYS 22 0.260 -12.640 2.779 180 HA LYS 22 HA LYS 22 0.895 -15.402 3.492 181 HB2 LYS 22 HB2 LYS 22 -1.072 -14.925 2.051 182 HB3 LYS 22 HB3 LYS 22 0.013 -14.280 0.829 183 HG2 LYS 22 HG2 LYS 22 1.090 -16.481 0.641 184 HG3 LYS 22 HG3 LYS 22 -0.044 -17.119 1.834 185 HD2 LYS 22 HD2 LYS 22 -1.909 -16.533 0.334 186 HD3 LYS 22 HD3 LYS 22 -0.746 -15.962 -0.864 187 HE2 LYS 22 HE2 LYS 22 -0.945 -18.778 0.200 188 HE3 LYS 22 HE3 LYS 22 -1.540 -18.233 -1.365 189 HZ1 LYS 22 HZ1 LYS 22 1.292 -18.337 -0.466 190 HZ2 LYS 22 HZ2 LYS 22 0.786 -17.625 -1.916 191 HZ3 LYS 22 HZ3 LYS 22 0.565 -19.280 -1.670 192 H TYR 23 H TYR 23 1.941 -12.964 1.091 193 HA TYR 23 HA TYR 23 4.258 -14.633 0.479 194 HB2 TYR 23 HB2 TYR 23 3.275 -12.092 -0.832 195 HB3 TYR 23 HB3 TYR 23 4.593 -13.104 -1.414 196 HD1 TYR 23 HD1 TYR 23 4.135 -15.290 -2.417 197 HD2 TYR 23 HD2 TYR 23 0.970 -12.758 -1.125 198 HE1 TYR 23 HE1 TYR 23 2.529 -16.649 -3.691 199 HE2 TYR 23 HE2 TYR 23 -0.639 -14.112 -2.393 200 HH TYR 23 HH TYR 23 -0.607 -15.660 -4.359 201 H ARG 24 H ARG 24 3.464 -11.909 2.330 202 HA ARG 24 HA ARG 24 4.615 -10.345 3.472 203 HB2 ARG 24 HB2 ARG 24 6.969 -12.178 2.987 204 HB3 ARG 24 HB3 ARG 24 6.974 -10.800 4.083 205 HG2 ARG 24 HG2 ARG 24 5.274 -13.276 4.305 206 HG3 ARG 24 HG3 ARG 24 6.631 -12.822 5.338 207 HD2 ARG 24 HD2 ARG 24 4.127 -11.180 5.030 208 HD3 ARG 24 HD3 ARG 24 4.364 -12.364 6.305 209 HE ARG 24 HE ARG 24 6.539 -10.744 6.518 210 HH11 ARG 24 HH11 ARG 24 3.091 -10.142 6.409 211 HH12 ARG 24 HH12 ARG 24 3.153 -8.784 7.484 212 HH21 ARG 24 HH21 ARG 24 6.645 -8.971 7.944 213 HH22 ARG 24 HH22 ARG 24 5.194 -8.124 8.385 214 H ARG 25 H ARG 25 4.243 -8.761 2.056 215 HA ARG 25 HA ARG 25 4.639 -7.076 0.604 216 HB2 ARG 25 HB2 ARG 25 7.458 -8.035 0.953 217 HB3 ARG 25 HB3 ARG 25 7.079 -6.825 -0.261 218 HG2 ARG 25 HG2 ARG 25 7.784 -5.638 1.625 219 HG3 ARG 25 HG3 ARG 25 6.027 -5.485 1.611 220 HD2 ARG 25 HD2 ARG 25 6.786 -5.938 3.841 221 HD3 ARG 25 HD3 ARG 25 5.885 -7.322 3.241 222 HE ARG 25 HE ARG 25 8.448 -7.951 2.633 223 HH11 ARG 25 HH11 ARG 25 6.886 -6.966 5.635 224 HH12 ARG 25 HH12 ARG 25 8.007 -7.845 6.636 225 HH21 ARG 25 HH21 ARG 25 9.876 -9.098 3.939 226 HH22 ARG 25 HH22 ARG 25 9.708 -9.066 5.669 227 H PHE 26 H PHE 26 5.563 -6.653 -1.677 228 HA PHE 26 HA PHE 26 4.624 -8.735 -3.407 229 HB2 PHE 26 HB2 PHE 26 6.151 -6.217 -4.115 230 HB3 PHE 26 HB3 PHE 26 5.256 -7.235 -5.235 231 HD1 PHE 26 HD1 PHE 26 2.793 -7.308 -5.138 232 HD2 PHE 26 HD2 PHE 26 5.074 -4.610 -2.771 233 HE1 PHE 26 HE1 PHE 26 0.780 -5.949 -4.749 234 HE2 PHE 26 HE2 PHE 26 3.069 -3.248 -2.376 235 HZ PHE 26 HZ PHE 26 0.923 -3.924 -3.365 236 HA PRO 27 HA PRO 27 8.594 -10.710 -4.163 237 HB2 PRO 27 HB2 PRO 27 7.922 -11.997 -6.456 238 HB3 PRO 27 HB3 PRO 27 7.421 -12.569 -4.863 239 HG2 PRO 27 HG2 PRO 27 5.868 -11.025 -6.898 240 HG3 PRO 27 HG3 PRO 27 5.341 -12.368 -5.866 241 HD2 PRO 27 HD2 PRO 27 4.777 -9.757 -5.326 242 HD3 PRO 27 HD3 PRO 27 4.956 -10.993 -4.065 243 H LYS 28 H LYS 28 6.764 -8.845 -6.470 244 HA LYS 28 HA LYS 28 8.915 -7.208 -7.235 245 HB2 LYS 28 HB2 LYS 28 9.494 -9.337 -8.497 246 HB3 LYS 28 HB3 LYS 28 8.019 -9.095 -9.421 247 HG2 LYS 28 HG2 LYS 28 9.755 -8.232 -10.745 248 HG3 LYS 28 HG3 LYS 28 8.944 -6.826 -10.051 249 HD2 LYS 28 HD2 LYS 28 11.382 -6.599 -9.960 250 HD3 LYS 28 HD3 LYS 28 10.675 -6.657 -8.343 251 HE2 LYS 28 HE2 LYS 28 12.712 -8.033 -8.526 252 HE3 LYS 28 HE3 LYS 28 11.287 -8.986 -8.119 253 HZ1 LYS 28 HZ1 LYS 28 12.599 -10.102 -9.790 254 HZ2 LYS 28 HZ2 LYS 28 12.518 -8.752 -10.812 255 HZ3 LYS 28 HZ3 LYS 28 11.113 -9.636 -10.458 256 H SER 29 H SER 29 6.572 -8.443 -9.505 257 HA SER 29 HA SER 29 4.328 -6.934 -8.979 258 HB2 SER 29 HB2 SER 29 4.557 -5.144 -10.745 259 HB3 SER 29 HB3 SER 29 5.586 -4.906 -9.334 260 HG SER 29 HG SER 29 6.567 -6.281 -11.590 261 H THR 30 H THR 30 3.110 -8.530 -9.817 262 HA THR 30 HA THR 30 3.123 -8.985 -12.664 263 HB THR 30 HB THR 30 4.981 -10.437 -11.989 264 HG1 THR 30 HG1 THR 30 2.568 -11.641 -12.859 265 HG21 THR 30 HG21 THR 30 4.315 -10.883 -9.681 266 HG22 THR 30 HG22 THR 30 4.584 -12.388 -10.560 267 HG23 THR 30 HG23 THR 30 2.941 -11.830 -10.252 268 H GLU 31 H GLU 31 1.551 -8.671 -9.856 269 HA GLU 31 HA GLU 31 -0.565 -10.601 -10.441 270 HB2 GLU 31 HB2 GLU 31 -1.521 -9.757 -8.227 271 HB3 GLU 31 HB3 GLU 31 -0.037 -10.690 -8.152 272 HG2 GLU 31 HG2 GLU 31 -0.106 -7.685 -8.099 273 HG3 GLU 31 HG3 GLU 31 -0.146 -8.690 -6.650 274 H GLY 32 H GLY 32 -2.750 -9.192 -9.332 275 HA2 GLY 32 HA2 GLY 32 -3.507 -7.823 -11.741 276 HA3 GLY 32 HA3 GLY 32 -4.523 -8.108 -10.340 277 H ASN 33 H ASN 33 -5.177 -6.361 -9.318 278 HA ASN 33 HA ASN 33 -4.462 -3.785 -10.145 279 HB2 ASN 33 HB2 ASN 33 -6.631 -4.207 -9.192 280 HB3 ASN 33 HB3 ASN 33 -5.918 -4.724 -7.670 281 HD21 ASN 33 HD21 ASN 33 -5.362 -3.223 -6.170 282 HD22 ASN 33 HD22 ASN 33 -5.652 -1.528 -6.352 283 H LEU 34 H LEU 34 -3.270 -5.744 -7.498 284 HA LEU 34 HA LEU 34 -2.028 -3.736 -5.987 285 HB2 LEU 34 HB2 LEU 34 -1.200 -6.612 -6.323 286 HB3 LEU 34 HB3 LEU 34 -0.664 -5.538 -5.048 287 HG LEU 34 HG LEU 34 -3.504 -6.473 -5.475 288 HD11 LEU 34 HD11 LEU 34 -3.166 -7.720 -3.412 289 HD12 LEU 34 HD12 LEU 34 -1.489 -7.175 -3.347 290 HD13 LEU 34 HD13 LEU 34 -2.024 -8.232 -4.655 291 HD21 LEU 34 HD21 LEU 34 -3.445 -4.231 -4.549 292 HD22 LEU 34 HD22 LEU 34 -2.291 -4.747 -3.320 293 HD23 LEU 34 HD23 LEU 34 -3.936 -5.386 -3.310 294 H GLY 35 H GLY 35 -0.892 -5.571 -8.770 295 HA2 GLY 35 HA2 GLY 35 1.822 -4.880 -8.683 296 HA3 GLY 35 HA3 GLY 35 0.932 -5.298 -10.140 297 H GLY 36 H GLY 36 -0.939 -3.180 -10.061 298 HA2 GLY 36 HA2 GLY 36 0.706 -1.024 -11.072 299 HA3 GLY 36 HA3 GLY 36 -1.051 -1.086 -11.074 300 H TRP 37 H TRP 37 -1.402 -1.611 -8.319 301 HA TRP 37 HA TRP 37 -1.618 0.950 -7.276 302 HB2 TRP 37 HB2 TRP 37 -2.743 -1.253 -6.535 303 HB3 TRP 37 HB3 TRP 37 -1.315 -1.486 -5.534 304 HD1 TRP 37 HD1 TRP 37 -3.630 1.576 -6.123 305 HE1 TRP 37 HE1 TRP 37 -4.282 2.528 -3.827 306 HE3 TRP 37 HE3 TRP 37 -1.155 -1.748 -3.123 307 HZ2 TRP 37 HZ2 TRP 37 -3.823 1.936 -1.105 308 HZ3 TRP 37 HZ3 TRP 37 -1.315 -1.490 -0.690 309 HH2 TRP 37 HH2 TRP 37 -2.621 0.318 0.299 310 H CYS 38 H CYS 38 0.907 -1.482 -6.752 311 HA CYS 38 HA CYS 38 2.403 0.013 -4.878 312 HB2 CYS 38 HB2 CYS 38 2.661 -2.428 -5.238 313 HB3 CYS 38 HB3 CYS 38 3.380 -2.103 -6.810 314 HG CYS 38 HG CYS 38 5.562 -2.704 -5.379 315 H HIS 39 H HIS 39 2.443 -0.143 -8.392 316 HA HIS 39 HA HIS 39 4.855 1.333 -8.723 317 HB2 HIS 39 HB2 HIS 39 2.684 0.385 -10.538 318 HB3 HIS 39 HB3 HIS 39 3.777 1.632 -11.127 319 HD1 HIS 39 HD1 HIS 39 3.500 -1.979 -10.649 320 HD2 HIS 39 HD2 HIS 39 6.570 0.789 -11.093 321 HE1 HIS 39 HE1 HIS 39 5.538 -3.319 -11.261 322 HE2 HIS 39 HE2 HIS 39 7.422 -1.644 -11.253 323 H THR 40 H THR 40 1.447 2.212 -8.659 324 HA THR 40 HA THR 40 1.804 4.891 -9.522 325 HB THR 40 HB THR 40 -0.422 3.869 -7.752 326 HG1 THR 40 HG1 THR 40 0.260 3.164 -10.312 327 HG21 THR 40 HG21 THR 40 -1.758 5.556 -8.939 328 HG22 THR 40 HG22 THR 40 -0.323 6.055 -9.834 329 HG23 THR 40 HG23 THR 40 -0.398 6.286 -8.088 330 H GLN 41 H GLN 41 1.586 3.391 -6.316 331 HA GLN 41 HA GLN 41 1.770 5.894 -4.938 332 HB2 GLN 41 HB2 GLN 41 1.589 3.033 -4.176 333 HB3 GLN 41 HB3 GLN 41 2.254 4.143 -2.986 334 HG2 GLN 41 HG2 GLN 41 -0.251 3.672 -2.907 335 HG3 GLN 41 HG3 GLN 41 0.273 5.350 -2.815 336 HE21 GLN 41 HE21 GLN 41 -1.275 2.933 -4.790 337 HE22 GLN 41 HE22 GLN 41 -1.952 4.030 -5.938 338 H ARG 42 H ARG 42 4.044 3.703 -6.248 339 HA ARG 42 HA ARG 42 6.328 4.257 -4.723 340 HB2 ARG 42 HB2 ARG 42 6.308 2.508 -6.398 341 HB3 ARG 42 HB3 ARG 42 5.987 3.669 -7.673 342 HG2 ARG 42 HG2 ARG 42 8.280 2.948 -7.762 343 HG3 ARG 42 HG3 ARG 42 8.206 4.653 -7.320 344 HD2 ARG 42 HD2 ARG 42 8.752 4.209 -5.081 345 HD3 ARG 42 HD3 ARG 42 8.405 2.489 -5.248 346 HE ARG 42 HE ARG 42 10.451 2.227 -6.439 347 HH11 ARG 42 HH11 ARG 42 9.974 5.443 -5.168 348 HH12 ARG 42 HH12 ARG 42 11.660 5.857 -5.206 349 HH21 ARG 42 HH21 ARG 42 12.671 2.751 -6.493 350 HH22 ARG 42 HH22 ARG 42 13.206 4.312 -5.943 351 H LYS 43 H LYS 43 4.697 6.034 -7.246 352 HA LYS 43 HA LYS 43 6.685 8.016 -7.666 353 HB2 LYS 43 HB2 LYS 43 5.018 7.356 -9.326 354 HB3 LYS 43 HB3 LYS 43 3.729 7.894 -8.263 355 HG2 LYS 43 HG2 LYS 43 5.013 10.180 -8.428 356 HG3 LYS 43 HG3 LYS 43 5.592 9.468 -9.938 357 HD2 LYS 43 HD2 LYS 43 2.738 9.911 -9.092 358 HD3 LYS 43 HD3 LYS 43 3.603 10.693 -10.402 359 HE2 LYS 43 HE2 LYS 43 3.047 7.745 -10.286 360 HE3 LYS 43 HE3 LYS 43 2.018 8.904 -11.123 361 HZ1 LYS 43 HZ1 LYS 43 3.494 7.885 -12.679 362 HZ2 LYS 43 HZ2 LYS 43 4.856 8.267 -11.742 363 HZ3 LYS 43 HZ3 LYS 43 3.967 9.504 -12.491 364 H MET 44 H MET 44 3.599 7.915 -5.903 365 HA MET 44 HA MET 44 3.585 10.599 -5.056 366 HB2 MET 44 HB2 MET 44 2.325 8.358 -3.485 367 HB3 MET 44 HB3 MET 44 1.762 10.013 -3.661 368 HG2 MET 44 HG2 MET 44 1.703 7.831 -5.725 369 HG3 MET 44 HG3 MET 44 0.333 8.592 -4.920 370 HE1 MET 44 HE1 MET 44 1.014 8.160 -8.121 371 HE2 MET 44 HE2 MET 44 0.281 9.630 -8.770 372 HE3 MET 44 HE3 MET 44 -0.554 8.703 -7.521 373 H ARG 45 H ARG 45 5.103 7.751 -3.778 374 HA ARG 45 HA ARG 45 5.577 8.601 -1.144 375 HB2 ARG 45 HB2 ARG 45 5.928 6.282 -1.855 376 HB3 ARG 45 HB3 ARG 45 7.271 6.788 -2.872 377 HG2 ARG 45 HG2 ARG 45 8.082 7.783 -0.507 378 HG3 ARG 45 HG3 ARG 45 7.138 6.402 0.048 379 HD2 ARG 45 HD2 ARG 45 9.314 6.250 -2.023 380 HD3 ARG 45 HD3 ARG 45 9.551 5.918 -0.310 381 HE ARG 45 HE ARG 45 7.475 4.285 -1.155 382 HH11 ARG 45 HH11 ARG 45 10.847 4.765 -1.936 383 HH12 ARG 45 HH12 ARG 45 11.142 3.088 -2.309 384 HH21 ARG 45 HH21 ARG 45 7.844 2.059 -1.643 385 HH22 ARG 45 HH22 ARG 45 9.436 1.543 -2.123 386 H LYS 46 H LYS 46 7.618 8.908 -4.041 387 HA LYS 46 HA LYS 46 9.693 10.237 -2.586 388 HB2 LYS 46 HB2 LYS 46 10.736 10.486 -4.820 389 HB3 LYS 46 HB3 LYS 46 10.322 8.831 -4.418 390 HG2 LYS 46 HG2 LYS 46 8.376 8.940 -5.844 391 HG3 LYS 46 HG3 LYS 46 8.702 10.642 -6.195 392 HD2 LYS 46 HD2 LYS 46 10.552 8.349 -6.847 393 HD3 LYS 46 HD3 LYS 46 9.462 9.128 -7.993 394 HE2 LYS 46 HE2 LYS 46 10.620 11.227 -7.733 395 HE3 LYS 46 HE3 LYS 46 11.641 10.546 -6.470 396 HZ1 LYS 46 HZ1 LYS 46 11.589 9.570 -9.270 397 HZ2 LYS 46 HZ2 LYS 46 12.669 9.109 -8.048 398 HZ3 LYS 46 HZ3 LYS 46 12.716 10.686 -8.669 399 H GLN 47 H GLN 47 6.844 11.196 -4.213 400 HA GLN 47 HA GLN 47 7.686 13.942 -4.530 401 HB2 GLN 47 HB2 GLN 47 5.114 12.466 -5.015 402 HB3 GLN 47 HB3 GLN 47 5.162 14.222 -5.047 403 HG2 GLN 47 HG2 GLN 47 6.895 14.120 -6.796 404 HG3 GLN 47 HG3 GLN 47 6.766 12.362 -6.786 405 HE21 GLN 47 HE21 GLN 47 6.189 12.347 -8.947 406 HE22 GLN 47 HE22 GLN 47 4.606 12.811 -9.479 407 H GLY 48 H GLY 48 6.544 12.006 -2.016 408 HA2 GLY 48 HA2 GLY 48 6.042 12.522 0.172 409 HA3 GLY 48 HA3 GLY 48 6.448 14.193 -0.194 410 H LYS 49 H LYS 49 4.049 12.500 -2.044 411 HA LYS 49 HA LYS 49 2.011 14.253 -0.842 412 HB2 LYS 49 HB2 LYS 49 0.782 13.997 -2.991 413 HB3 LYS 49 HB3 LYS 49 2.331 14.810 -3.153 414 HG2 LYS 49 HG2 LYS 49 3.333 12.894 -4.119 415 HG3 LYS 49 HG3 LYS 49 1.944 11.886 -3.709 416 HD2 LYS 49 HD2 LYS 49 1.805 14.249 -5.575 417 HD3 LYS 49 HD3 LYS 49 2.068 12.589 -6.113 418 HE2 LYS 49 HE2 LYS 49 -0.055 11.909 -5.166 419 HE3 LYS 49 HE3 LYS 49 -0.310 13.526 -4.511 420 HZ1 LYS 49 HZ1 LYS 49 -0.503 14.411 -6.690 421 HZ2 LYS 49 HZ2 LYS 49 -1.524 13.058 -6.613 422 HZ3 LYS 49 HZ3 LYS 49 -0.027 12.952 -7.408 423 H LEU 50 H LEU 50 3.069 11.177 -0.853 424 HA LEU 50 HA LEU 50 0.736 9.625 -1.019 425 HB2 LEU 50 HB2 LEU 50 3.462 9.338 -0.005 426 HB3 LEU 50 HB3 LEU 50 2.302 8.443 0.949 427 HG LEU 50 HG LEU 50 2.890 8.119 -1.990 428 HD11 LEU 50 HD11 LEU 50 4.514 7.094 -0.505 429 HD12 LEU 50 HD12 LEU 50 3.543 5.855 -1.300 430 HD13 LEU 50 HD13 LEU 50 3.224 6.286 0.381 431 HD21 LEU 50 HD21 LEU 50 0.481 7.881 -1.571 432 HD22 LEU 50 HD22 LEU 50 0.830 6.678 -0.329 433 HD23 LEU 50 HD23 LEU 50 1.239 6.351 -2.012 434 HA PRO 51 HA PRO 51 -1.361 10.823 2.773 435 HB2 PRO 51 HB2 PRO 51 -2.544 8.125 2.631 436 HB3 PRO 51 HB3 PRO 51 -3.343 9.700 2.642 437 HG2 PRO 51 HG2 PRO 51 -3.225 8.193 0.424 438 HG3 PRO 51 HG3 PRO 51 -3.144 9.964 0.357 439 HD2 PRO 51 HD2 PRO 51 -0.941 7.954 0.127 440 HD3 PRO 51 HD3 PRO 51 -1.182 9.474 -0.754 441 H ASN 52 H ASN 52 -0.509 10.690 4.711 442 HA ASN 52 HA ASN 52 1.457 8.860 5.472 443 HB2 ASN 52 HB2 ASN 52 1.435 10.941 6.589 444 HB3 ASN 52 HB3 ASN 52 -0.259 10.777 7.037 445 HD21 ASN 52 HD21 ASN 52 -0.790 9.825 8.894 446 HD22 ASN 52 HD22 ASN 52 0.348 9.144 10.002 447 H ASP 53 H ASP 53 -2.024 8.844 5.916 448 HA ASP 53 HA ASP 53 -2.150 6.603 7.646 449 HB2 ASP 53 HB2 ASP 53 -4.162 7.664 5.649 450 HB3 ASP 53 HB3 ASP 53 -4.503 6.377 6.803 451 H ARG 54 H ARG 54 -2.377 6.882 4.126 452 HA ARG 54 HA ARG 54 -2.559 4.181 3.458 453 HB2 ARG 54 HB2 ARG 54 -2.899 5.580 1.656 454 HB3 ARG 54 HB3 ARG 54 -1.581 6.651 2.094 455 HG2 ARG 54 HG2 ARG 54 -1.060 5.559 0.033 456 HG3 ARG 54 HG3 ARG 54 0.019 4.950 1.283 457 HD2 ARG 54 HD2 ARG 54 -1.350 2.931 1.482 458 HD3 ARG 54 HD3 ARG 54 -2.448 3.551 0.251 459 HE ARG 54 HE ARG 54 -0.958 2.928 -1.362 460 HH11 ARG 54 HH11 ARG 54 0.664 2.893 1.743 461 HH12 ARG 54 HH12 ARG 54 2.091 2.117 1.132 462 HH21 ARG 54 HH21 ARG 54 0.921 1.888 -2.169 463 HH22 ARG 54 HH22 ARG 54 2.237 1.546 -1.097 464 H ARG 55 H ARG 55 0.227 6.111 4.349 465 HA ARG 55 HA ARG 55 2.149 4.084 3.760 466 HB2 ARG 55 HB2 ARG 55 2.982 6.272 3.768 467 HB3 ARG 55 HB3 ARG 55 2.190 6.672 5.281 468 HG2 ARG 55 HG2 ARG 55 4.282 4.576 5.362 469 HG3 ARG 55 HG3 ARG 55 4.800 6.244 5.097 470 HD2 ARG 55 HD2 ARG 55 3.410 6.871 7.092 471 HD3 ARG 55 HD3 ARG 55 3.205 5.153 7.403 472 HE ARG 55 HE ARG 55 5.721 5.102 7.546 473 HH11 ARG 55 HH11 ARG 55 3.896 8.010 8.276 474 HH12 ARG 55 HH12 ARG 55 5.080 8.625 9.390 475 HH21 ARG 55 HH21 ARG 55 7.258 5.890 9.033 476 HH22 ARG 55 HH22 ARG 55 6.975 7.406 9.839 477 H LEU 56 H LEU 56 0.321 5.010 6.636 478 HA LEU 56 HA LEU 56 1.754 3.241 8.382 479 HB2 LEU 56 HB2 LEU 56 0.741 5.240 9.279 480 HB3 LEU 56 HB3 LEU 56 -0.842 4.743 8.711 481 HG LEU 56 HG LEU 56 -0.771 2.826 10.296 482 HD11 LEU 56 HD11 LEU 56 1.753 4.159 11.278 483 HD12 LEU 56 HD12 LEU 56 1.646 2.583 10.487 484 HD13 LEU 56 HD13 LEU 56 0.912 2.827 12.073 485 HD21 LEU 56 HD21 LEU 56 -1.109 4.166 12.324 486 HD22 LEU 56 HD22 LEU 56 -1.906 4.874 10.918 487 HD23 LEU 56 HD23 LEU 56 -0.393 5.558 11.510 488 H LEU 57 H LEU 57 -1.323 3.118 6.638 489 HA LEU 57 HA LEU 57 -2.379 0.816 7.819 490 HB2 LEU 57 HB2 LEU 57 -2.734 1.808 4.987 491 HB3 LEU 57 HB3 LEU 57 -3.739 0.601 5.762 492 HG LEU 57 HG LEU 57 -3.519 3.518 6.484 493 HD11 LEU 57 HD11 LEU 57 -5.814 1.868 5.444 494 HD12 LEU 57 HD12 LEU 57 -4.890 3.063 4.535 495 HD13 LEU 57 HD13 LEU 57 -5.886 3.573 5.896 496 HD21 LEU 57 HD21 LEU 57 -3.693 2.189 8.514 497 HD22 LEU 57 HD22 LEU 57 -5.101 1.352 7.857 498 HD23 LEU 57 HD23 LEU 57 -5.183 3.080 8.207 499 H LEU 58 H LEU 58 -0.059 1.199 5.231 500 HA LEU 58 HA LEU 58 0.038 -1.553 4.504 501 HB2 LEU 58 HB2 LEU 58 1.649 0.877 3.922 502 HB3 LEU 58 HB3 LEU 58 2.403 -0.681 3.646 503 HG LEU 58 HG LEU 58 1.289 0.401 1.640 504 HD11 LEU 58 HD11 LEU 58 0.340 -2.334 2.464 505 HD12 LEU 58 HD12 LEU 58 1.887 -1.960 1.703 506 HD13 LEU 58 HD13 LEU 58 0.383 -1.699 0.819 507 HD21 LEU 58 HD21 LEU 58 -1.207 -0.427 3.120 508 HD22 LEU 58 HD22 LEU 58 -1.135 0.092 1.436 509 HD23 LEU 58 HD23 LEU 58 -0.728 1.222 2.726 510 H ASP 59 H ASP 59 1.971 0.517 6.614 511 HA ASP 59 HA ASP 59 3.854 -1.408 7.421 512 HB2 ASP 59 HB2 ASP 59 4.198 0.960 7.865 513 HB3 ASP 59 HB3 ASP 59 2.777 1.000 8.904 514 H LYS 60 H LYS 60 0.620 -0.665 8.499 515 HA LYS 60 HA LYS 60 0.427 -1.962 10.916 516 HB2 LYS 60 HB2 LYS 60 -1.464 -1.449 8.648 517 HB3 LYS 60 HB3 LYS 60 -1.991 -2.382 10.029 518 HG2 LYS 60 HG2 LYS 60 -0.845 0.377 10.248 519 HG3 LYS 60 HG3 LYS 60 -2.568 0.048 10.081 520 HD2 LYS 60 HD2 LYS 60 -2.486 -1.298 12.136 521 HD3 LYS 60 HD3 LYS 60 -0.775 -0.897 12.312 522 HE2 LYS 60 HE2 LYS 60 -1.320 1.458 12.497 523 HE3 LYS 60 HE3 LYS 60 -3.027 1.109 12.232 524 HZ1 LYS 60 HZ1 LYS 60 -2.569 1.421 14.568 525 HZ2 LYS 60 HZ2 LYS 60 -1.395 0.201 14.541 526 HZ3 LYS 60 HZ3 LYS 60 -3.023 -0.186 14.284 527 H ILE 61 H ILE 61 0.037 -3.273 7.650 528 HA ILE 61 HA ILE 61 -0.538 -5.919 8.706 529 HB ILE 61 HB ILE 61 -0.812 -6.478 6.239 530 HG12 ILE 61 HG12 ILE 61 -0.590 -3.465 6.053 531 HG13 ILE 61 HG13 ILE 61 0.488 -4.638 5.307 532 HG21 ILE 61 HG21 ILE 61 -2.677 -6.075 7.766 533 HG22 ILE 61 HG22 ILE 61 -3.027 -5.451 6.154 534 HG23 ILE 61 HG23 ILE 61 -2.565 -4.342 7.447 535 HD11 ILE 61 HD11 ILE 61 -2.415 -4.221 4.639 536 HD12 ILE 61 HD12 ILE 61 -1.349 -5.412 3.892 537 HD13 ILE 61 HD13 ILE 61 -1.032 -3.690 3.681 538 H GLY 62 H GLY 62 2.233 -4.276 8.118 539 HA2 GLY 62 HA2 GLY 62 4.298 -5.378 8.585 540 HA3 GLY 62 HA3 GLY 62 3.652 -6.831 7.845 541 H PHE 63 H PHE 63 3.208 -3.829 6.179 542 HA PHE 63 HA PHE 63 5.151 -4.662 4.178 543 HB2 PHE 63 HB2 PHE 63 2.838 -3.746 3.597 544 HB3 PHE 63 HB3 PHE 63 3.428 -2.178 4.132 545 HD1 PHE 63 HD2 PHE 63 5.150 -0.994 2.850 546 HD2 PHE 63 HD1 PHE 63 3.541 -4.707 1.535 547 HE1 PHE 63 HE2 PHE 63 6.054 -0.585 0.597 548 HE2 PHE 63 HE1 PHE 63 4.439 -4.307 -0.714 549 HZ PHE 63 HZ PHE 63 5.696 -2.244 -1.189 550 H VAL 64 H VAL 64 7.151 -4.253 4.761 551 HA VAL 64 HA VAL 64 7.744 -2.126 6.579 552 HB VAL 64 HB VAL 64 8.743 -4.364 6.799 553 HG11 VAL 64 HG11 VAL 64 10.608 -5.016 5.326 554 HG12 VAL 64 HG12 VAL 64 10.226 -3.648 4.282 555 HG13 VAL 64 HG13 VAL 64 9.058 -4.953 4.485 556 HG21 VAL 64 HG21 VAL 64 10.740 -2.156 6.348 557 HG22 VAL 64 HG22 VAL 64 11.037 -3.634 7.261 558 HG23 VAL 64 HG23 VAL 64 9.845 -2.468 7.835 559 H TRP 65 H TRP 65 8.490 -0.187 6.110 560 HA TRP 65 HA TRP 65 9.221 0.472 3.368 561 HB2 TRP 65 HB2 TRP 65 9.076 2.306 5.771 562 HB3 TRP 65 HB3 TRP 65 9.169 2.787 4.083 563 HD1 TRP 65 HD1 TRP 65 6.711 1.493 6.703 564 HE1 TRP 65 HE1 TRP 65 4.315 1.851 5.829 565 HE3 TRP 65 HE3 TRP 65 7.801 2.928 1.919 566 HZ2 TRP 65 HZ2 TRP 65 3.061 2.650 3.433 567 HZ3 TRP 65 HZ3 TRP 65 5.947 3.466 0.397 568 HH2 TRP 65 HH2 TRP 65 3.624 3.325 1.135 569 H SER 66 H SER 66 10.639 -0.335 6.325 570 HA SER 66 HA SER 66 12.754 -0.648 7.017 571 HB2 SER 66 HB2 SER 66 13.535 0.218 4.224 572 HB3 SER 66 HB3 SER 66 14.630 -0.489 5.416 573 HG SER 66 HG SER 66 13.051 -2.293 5.450 574 H LEU 67 H LEU 67 13.296 2.114 4.855 575 HA LEU 67 HA LEU 67 14.169 4.177 5.189 576 HB2 LEU 67 HB2 LEU 67 12.893 4.001 7.919 577 HB3 LEU 67 HB3 LEU 67 13.466 5.461 7.145 578 HG LEU 67 HG LEU 67 11.664 4.584 5.303 579 HD11 LEU 67 HD11 LEU 67 9.662 3.894 6.503 580 HD12 LEU 67 HD12 LEU 67 10.568 3.862 8.015 581 HD13 LEU 67 HD13 LEU 67 10.966 2.727 6.725 582 HD21 LEU 67 HD21 LEU 67 10.167 6.290 6.242 583 HD22 LEU 67 HD22 LEU 67 11.839 6.847 6.167 584 HD23 LEU 67 HD23 LEU 67 11.150 6.332 7.706 585 H GLU 68 H GLU 68 15.536 5.550 6.782 586 HA GLU 68 HA GLU 68 17.542 3.895 8.071 587 HB2 GLU 68 HB2 GLU 68 17.238 6.839 7.567 588 HB3 GLU 68 HB3 GLU 68 18.345 6.290 8.814 589 HG2 GLU 68 HG2 GLU 68 19.499 6.689 6.718 590 HG3 GLU 68 HG3 GLU 68 19.585 4.991 7.179 591 H HIS 69 H HIS 69 17.610 3.457 10.202 592 HA HIS 69 HA HIS 69 15.234 3.651 11.672 593 HB2 HIS 69 HB2 HIS 69 18.019 2.806 12.370 594 HB3 HIS 69 HB3 HIS 69 16.787 2.917 13.623 595 HD1 HIS 69 HD1 HIS 69 17.637 1.008 10.487 596 HD2 HIS 69 HD2 HIS 69 14.919 0.884 13.637 597 HE1 HIS 69 HE1 HIS 69 16.450 -1.204 10.282 598 HE2 HIS 69 HE2 HIS 69 14.765 -1.231 12.157 599 H HIS 70 H HIS 70 14.539 5.696 11.933 600 HA HIS 70 HA HIS 70 15.760 7.107 14.175 601 HB2 HIS 70 HB2 HIS 70 14.933 8.462 11.590 602 HB3 HIS 70 HB3 HIS 70 15.336 9.306 13.078 603 HD1 HIS 70 HD1 HIS 70 16.770 8.241 9.977 604 HD2 HIS 70 HD2 HIS 70 18.165 8.753 13.864 605 HE1 HIS 70 HE1 HIS 70 19.275 8.381 9.784 606 HE2 HIS 70 HE2 HIS 70 20.067 8.945 12.111 607 H HIS 71 H HIS 71 14.208 8.313 15.383 608 HA HIS 71 HA HIS 71 11.428 7.605 14.728 609 HB2 HIS 71 HB2 HIS 71 12.799 8.351 17.300 610 HB3 HIS 71 HB3 HIS 71 11.054 8.507 17.139 611 HD1 HIS 71 HD1 HIS 71 11.335 6.652 19.188 612 HD2 HIS 71 HD2 HIS 71 12.099 5.392 15.294 613 HE1 HIS 71 HE1 HIS 71 11.151 4.138 19.232 614 HE2 HIS 71 HE2 HIS 71 11.756 3.392 16.902 615 H HIS 72 H HIS 72 10.424 9.091 13.586 616 HA HIS 72 HA HIS 72 11.336 11.732 13.255 617 HB2 HIS 72 HB2 HIS 72 9.942 10.496 11.596 618 HB3 HIS 72 HB3 HIS 72 8.565 10.652 12.683 619 HD1 HIS 72 HD1 HIS 72 7.049 12.434 11.910 620 HD2 HIS 72 HD2 HIS 72 11.034 13.369 11.152 621 HE1 HIS 72 HE1 HIS 72 7.019 14.698 10.811 622 HE2 HIS 72 HE2 HIS 72 9.433 15.229 10.314 623 H HIS 73 H HIS 73 11.423 13.113 14.856 624 HA HIS 73 HA HIS 73 9.034 13.503 16.526 625 HB2 HIS 73 HB2 HIS 73 10.681 12.224 17.820 626 HB3 HIS 73 HB3 HIS 73 11.914 13.429 17.469 627 HD1 HIS 73 HD1 HIS 73 11.973 15.507 18.919 628 HD2 HIS 73 HD2 HIS 73 8.702 13.058 19.692 629 HE1 HIS 73 HE1 HIS 73 10.935 16.406 21.026 630 HE2 HIS 73 HE2 HIS 73 9.098 14.775 21.587 631 H HIS 74 H HIS 74 8.494 15.593 16.876 632 HA HIS 74 HA HIS 74 10.100 17.649 15.565 633 HB2 HIS 74 HB2 HIS 74 7.616 17.555 15.245 634 HB3 HIS 74 HB3 HIS 74 7.420 17.915 16.958 635 HD1 HIS 74 HD1 HIS 74 8.319 20.332 17.730 636 HD2 HIS 74 HD2 HIS 74 7.958 19.726 13.630 637 HE1 HIS 74 HE1 HIS 74 8.368 22.628 16.698 638 HE2 HIS 74 HE2 HIS 74 8.210 22.237 14.207 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -24.126 -1.689 -11.984 2 H2 MET 1 H2 MET 1 -22.679 -1.934 -12.831 3 H3 MET 1 H3 MET 1 -23.785 -0.763 -13.363 4 HA MET 1 HA MET 1 -23.425 0.570 -11.440 5 HB2 MET 1 HB2 MET 1 -21.605 -1.692 -10.608 6 HB3 MET 1 HB3 MET 1 -21.578 -0.102 -9.858 7 HG2 MET 1 HG2 MET 1 -23.935 -0.394 -9.212 8 HG3 MET 1 HG3 MET 1 -23.906 -2.010 -9.912 9 HE1 MET 1 HE1 MET 1 -21.422 -3.908 -7.584 10 HE2 MET 1 HE2 MET 1 -21.070 -3.119 -9.123 11 HE3 MET 1 HE3 MET 1 -22.561 -4.041 -8.924 12 H ASN 2 H ASN 2 -22.713 1.984 -12.908 13 HA ASN 2 HA ASN 2 -19.899 1.755 -13.765 14 HB2 ASN 2 HB2 ASN 2 -22.350 2.689 -15.207 15 HB3 ASN 2 HB3 ASN 2 -20.797 3.410 -15.615 16 HD21 ASN 2 HD21 ASN 2 -22.699 1.581 -17.031 17 HD22 ASN 2 HD22 ASN 2 -21.695 0.285 -17.596 18 H GLN 3 H GLN 3 -20.641 2.848 -11.306 19 HA GLN 3 HA GLN 3 -20.943 5.675 -11.424 20 HB2 GLN 3 HB2 GLN 3 -20.487 5.586 -8.993 21 HB3 GLN 3 HB3 GLN 3 -21.727 4.446 -9.497 22 HG2 GLN 3 HG2 GLN 3 -20.230 2.614 -9.325 23 HG3 GLN 3 HG3 GLN 3 -18.848 3.687 -9.096 24 HE21 GLN 3 HE21 GLN 3 -18.586 4.735 -7.125 25 HE22 GLN 3 HE22 GLN 3 -19.385 4.195 -5.686 26 H ASN 4 H ASN 4 -19.316 7.096 -10.188 27 HA ASN 4 HA ASN 4 -16.783 6.868 -11.548 28 HB2 ASN 4 HB2 ASN 4 -18.292 8.969 -11.068 29 HB3 ASN 4 HB3 ASN 4 -17.434 8.983 -9.533 30 HD21 ASN 4 HD21 ASN 4 -17.401 10.947 -11.606 31 HD22 ASN 4 HD22 ASN 4 -15.765 11.087 -12.125 32 H LEU 5 H LEU 5 -14.749 6.924 -10.512 33 HA LEU 5 HA LEU 5 -13.142 6.630 -8.955 34 HB2 LEU 5 HB2 LEU 5 -15.367 7.049 -6.962 35 HB3 LEU 5 HB3 LEU 5 -13.661 6.970 -6.563 36 HG LEU 5 HG LEU 5 -14.978 9.072 -8.280 37 HD11 LEU 5 HD11 LEU 5 -14.434 10.575 -6.442 38 HD12 LEU 5 HD12 LEU 5 -13.791 9.219 -5.516 39 HD13 LEU 5 HD13 LEU 5 -15.509 9.281 -5.911 40 HD21 LEU 5 HD21 LEU 5 -12.784 10.176 -8.218 41 HD22 LEU 5 HD22 LEU 5 -12.719 8.620 -9.044 42 HD23 LEU 5 HD23 LEU 5 -12.112 8.767 -7.394 43 H GLN 6 H GLN 6 -15.962 5.079 -7.451 44 HA GLN 6 HA GLN 6 -16.338 3.014 -6.619 45 HB2 GLN 6 HB2 GLN 6 -13.974 2.230 -8.323 46 HB3 GLN 6 HB3 GLN 6 -14.925 1.092 -7.384 47 HG2 GLN 6 HG2 GLN 6 -16.919 1.697 -8.667 48 HG3 GLN 6 HG3 GLN 6 -15.959 2.828 -9.616 49 HE21 GLN 6 HE21 GLN 6 -16.599 -0.524 -8.937 50 HE22 GLN 6 HE22 GLN 6 -15.813 -1.166 -10.335 51 H GLY 7 H GLY 7 -15.690 1.681 -4.883 52 HA2 GLY 7 HA2 GLY 7 -13.722 3.017 -3.198 53 HA3 GLY 7 HA3 GLY 7 -14.870 1.786 -2.690 54 H GLU 8 H GLU 8 -12.045 2.165 -4.814 55 HA GLU 8 HA GLU 8 -11.467 -0.631 -4.707 56 HB2 GLU 8 HB2 GLU 8 -9.688 -0.211 -6.172 57 HB3 GLU 8 HB3 GLU 8 -10.912 0.966 -6.627 58 HG2 GLU 8 HG2 GLU 8 -9.717 2.676 -5.339 59 HG3 GLU 8 HG3 GLU 8 -8.491 1.486 -4.916 60 H TRP 9 H TRP 9 -10.727 2.038 -2.677 61 HA TRP 9 HA TRP 9 -8.243 1.167 -1.653 62 HB2 TRP 9 HB2 TRP 9 -9.046 3.421 -1.226 63 HB3 TRP 9 HB3 TRP 9 -10.429 2.799 -0.339 64 HD1 TRP 9 HD1 TRP 9 -9.931 3.848 1.975 65 HE1 TRP 9 HE1 TRP 9 -8.063 3.564 3.728 66 HE3 TRP 9 HE3 TRP 9 -6.591 1.136 -0.809 67 HZ2 TRP 9 HZ2 TRP 9 -5.533 2.354 3.906 68 HZ3 TRP 9 HZ3 TRP 9 -4.472 0.452 0.241 69 HH2 TRP 9 HH2 TRP 9 -3.957 1.052 2.550 70 H MET 10 H MET 10 -11.560 0.618 -0.484 71 HA MET 10 HA MET 10 -10.838 -1.108 1.628 72 HB2 MET 10 HB2 MET 10 -13.053 -0.038 1.414 73 HB3 MET 10 HB3 MET 10 -13.408 -1.060 0.037 74 HG2 MET 10 HG2 MET 10 -14.516 -2.054 1.832 75 HG3 MET 10 HG3 MET 10 -13.069 -3.032 1.599 76 HE1 MET 10 HE1 MET 10 -11.192 -3.351 3.402 77 HE2 MET 10 HE2 MET 10 -10.871 -2.170 4.672 78 HE3 MET 10 HE3 MET 10 -10.710 -1.709 2.978 79 H LYS 11 H LYS 11 -11.419 -1.621 -1.775 80 HA LYS 11 HA LYS 11 -11.540 -4.461 -1.627 81 HB2 LYS 11 HB2 LYS 11 -12.572 -3.088 -3.440 82 HB3 LYS 11 HB3 LYS 11 -10.963 -2.702 -4.024 83 HG2 LYS 11 HG2 LYS 11 -11.732 -5.562 -3.762 84 HG3 LYS 11 HG3 LYS 11 -12.397 -4.625 -5.098 85 HD2 LYS 11 HD2 LYS 11 -9.458 -4.921 -4.470 86 HD3 LYS 11 HD3 LYS 11 -10.329 -5.823 -5.712 87 HE2 LYS 11 HE2 LYS 11 -10.878 -3.709 -6.840 88 HE3 LYS 11 HE3 LYS 11 -9.978 -2.828 -5.608 89 HZ1 LYS 11 HZ1 LYS 11 -7.982 -4.075 -6.288 90 HZ2 LYS 11 HZ2 LYS 11 -8.608 -3.111 -7.532 91 HZ3 LYS 11 HZ3 LYS 11 -8.869 -4.789 -7.547 92 H ASN 12 H ASN 12 -9.016 -2.145 -2.608 93 HA ASN 12 HA ASN 12 -7.064 -4.110 -3.197 94 HB2 ASN 12 HB2 ASN 12 -6.893 -1.156 -2.630 95 HB3 ASN 12 HB3 ASN 12 -5.460 -2.130 -2.934 96 HD21 ASN 12 HD21 ASN 12 -6.618 0.085 -4.465 97 HD22 ASN 12 HD22 ASN 12 -6.878 -0.536 -6.057 98 H TYR 13 H TYR 13 -7.825 -2.290 -0.264 99 HA TYR 13 HA TYR 13 -5.476 -2.951 1.128 100 HB2 TYR 13 HB2 TYR 13 -7.098 -1.150 1.786 101 HB3 TYR 13 HB3 TYR 13 -8.175 -2.413 2.376 102 HD1 TYR 13 HD1 TYR 13 -4.535 -1.611 2.685 103 HD2 TYR 13 HD2 TYR 13 -8.142 -2.670 4.674 104 HE1 TYR 13 HE1 TYR 13 -3.343 -1.602 4.832 105 HE2 TYR 13 HE2 TYR 13 -6.958 -2.666 6.832 106 HH TYR 13 HH TYR 13 -3.728 -1.442 7.147 107 H GLU 14 H GLU 14 -8.638 -4.554 0.992 108 HA GLU 14 HA GLU 14 -8.052 -6.598 2.845 109 HB2 GLU 14 HB2 GLU 14 -9.997 -6.418 0.547 110 HB3 GLU 14 HB3 GLU 14 -9.888 -7.844 1.573 111 HG2 GLU 14 HG2 GLU 14 -10.436 -5.067 2.586 112 HG3 GLU 14 HG3 GLU 14 -11.682 -6.261 2.215 113 H GLU 15 H GLU 15 -7.666 -6.388 -0.655 114 HA GLU 15 HA GLU 15 -6.777 -9.042 -1.052 115 HB2 GLU 15 HB2 GLU 15 -7.660 -7.559 -2.843 116 HB3 GLU 15 HB3 GLU 15 -6.203 -6.585 -2.722 117 HG2 GLU 15 HG2 GLU 15 -5.961 -8.015 -4.597 118 HG3 GLU 15 HG3 GLU 15 -4.887 -8.613 -3.333 119 H LEU 16 H LEU 16 -5.142 -6.042 -0.235 120 HA LEU 16 HA LEU 16 -2.513 -7.123 -0.753 121 HB2 LEU 16 HB2 LEU 16 -3.101 -4.730 -1.139 122 HB3 LEU 16 HB3 LEU 16 -3.298 -4.537 0.590 123 HG LEU 16 HG LEU 16 -0.941 -4.979 0.957 124 HD11 LEU 16 HD11 LEU 16 -0.535 -6.586 -0.810 125 HD12 LEU 16 HD12 LEU 16 0.591 -5.239 -0.957 126 HD13 LEU 16 HD13 LEU 16 -0.800 -5.345 -2.033 127 HD21 LEU 16 HD21 LEU 16 -0.003 -3.021 -0.190 128 HD22 LEU 16 HD22 LEU 16 -1.592 -2.687 0.499 129 HD23 LEU 16 HD23 LEU 16 -1.422 -2.966 -1.236 130 H LYS 17 H LYS 17 -4.598 -6.448 1.978 131 HA LYS 17 HA LYS 17 -2.874 -6.920 4.096 132 HB2 LYS 17 HB2 LYS 17 -5.048 -6.083 4.500 133 HB3 LYS 17 HB3 LYS 17 -5.805 -7.400 3.624 134 HG2 LYS 17 HG2 LYS 17 -4.992 -8.934 5.406 135 HG3 LYS 17 HG3 LYS 17 -4.503 -7.502 6.319 136 HD2 LYS 17 HD2 LYS 17 -7.291 -7.973 5.286 137 HD3 LYS 17 HD3 LYS 17 -6.759 -8.407 6.901 138 HE2 LYS 17 HE2 LYS 17 -6.279 -6.098 7.414 139 HE3 LYS 17 HE3 LYS 17 -6.657 -5.624 5.758 140 HZ1 LYS 17 HZ1 LYS 17 -8.938 -6.309 6.100 141 HZ2 LYS 17 HZ2 LYS 17 -8.495 -5.169 7.275 142 HZ3 LYS 17 HZ3 LYS 17 -8.585 -6.812 7.684 143 H SER 18 H SER 18 -4.972 -9.175 2.336 144 HA SER 18 HA SER 18 -4.042 -11.493 3.662 145 HB2 SER 18 HB2 SER 18 -5.385 -11.285 0.957 146 HB3 SER 18 HB3 SER 18 -5.314 -12.713 1.993 147 HG SER 18 HG SER 18 -6.889 -10.433 2.198 148 H PHE 19 H PHE 19 -2.973 -9.733 0.838 149 HA PHE 19 HA PHE 19 -1.358 -11.822 -0.233 150 HB2 PHE 19 HB2 PHE 19 -2.194 -9.798 -1.506 151 HB3 PHE 19 HB3 PHE 19 -0.965 -8.858 -0.666 152 HD1 PHE 19 HD1 PHE 19 -1.593 -11.416 -3.193 153 HD2 PHE 19 HD2 PHE 19 1.392 -9.139 -1.186 154 HE1 PHE 19 HE1 PHE 19 0.052 -12.074 -4.898 155 HE2 PHE 19 HE2 PHE 19 3.041 -9.795 -2.890 156 HZ PHE 19 HZ PHE 19 2.373 -11.265 -4.748 157 H VAL 20 H VAL 20 -0.608 -8.922 1.710 158 HA VAL 20 HA VAL 20 2.153 -9.554 1.926 159 HB VAL 20 HB VAL 20 0.452 -7.676 3.571 160 HG11 VAL 20 HG11 VAL 20 2.549 -6.744 4.413 161 HG12 VAL 20 HG12 VAL 20 3.449 -8.003 3.565 162 HG13 VAL 20 HG13 VAL 20 2.366 -8.434 4.890 163 HG21 VAL 20 HG21 VAL 20 1.609 -5.948 2.290 164 HG22 VAL 20 HG22 VAL 20 0.719 -7.047 1.234 165 HG23 VAL 20 HG23 VAL 20 2.470 -7.198 1.391 166 H ARG 21 H ARG 21 -0.648 -10.260 3.978 167 HA ARG 21 HA ARG 21 0.842 -11.278 6.147 168 HB2 ARG 21 HB2 ARG 21 -1.490 -10.705 6.435 169 HB3 ARG 21 HB3 ARG 21 -1.975 -11.892 5.235 170 HG2 ARG 21 HG2 ARG 21 -0.463 -12.906 7.562 171 HG3 ARG 21 HG3 ARG 21 -2.106 -12.332 7.863 172 HD2 ARG 21 HD2 ARG 21 -3.026 -13.886 6.333 173 HD3 ARG 21 HD3 ARG 21 -1.444 -14.267 5.655 174 HE ARG 21 HE ARG 21 -0.925 -15.399 7.755 175 HH11 ARG 21 HH11 ARG 21 -4.300 -14.669 7.154 176 HH12 ARG 21 HH12 ARG 21 -4.887 -15.983 8.129 177 HH21 ARG 21 HH21 ARG 21 -1.685 -17.103 9.041 178 HH22 ARG 21 HH22 ARG 21 -3.398 -17.358 9.219 179 H LYS 22 H LYS 22 -0.079 -12.672 3.085 180 HA LYS 22 HA LYS 22 0.612 -15.354 4.002 181 HB2 LYS 22 HB2 LYS 22 -1.453 -14.987 2.687 182 HB3 LYS 22 HB3 LYS 22 -0.472 -14.460 1.328 183 HG2 LYS 22 HG2 LYS 22 0.521 -16.647 1.142 184 HG3 LYS 22 HG3 LYS 22 -0.339 -17.193 2.585 185 HD2 LYS 22 HD2 LYS 22 -2.473 -16.794 1.435 186 HD3 LYS 22 HD3 LYS 22 -1.590 -16.299 -0.009 187 HE2 LYS 22 HE2 LYS 22 -0.585 -18.523 -0.159 188 HE3 LYS 22 HE3 LYS 22 -1.454 -19.012 1.295 189 HZ1 LYS 22 HZ1 LYS 22 -2.708 -18.173 -1.263 190 HZ2 LYS 22 HZ2 LYS 22 -3.539 -18.655 0.134 191 HZ3 LYS 22 HZ3 LYS 22 -2.574 -19.769 -0.702 192 H TYR 23 H TYR 23 1.531 -13.162 1.316 193 HA TYR 23 HA TYR 23 3.829 -14.906 0.771 194 HB2 TYR 23 HB2 TYR 23 2.708 -12.596 -0.829 195 HB3 TYR 23 HB3 TYR 23 4.048 -13.624 -1.324 196 HD1 TYR 23 HD2 TYR 23 3.638 -15.995 -1.900 197 HD2 TYR 23 HD1 TYR 23 0.446 -13.312 -1.072 198 HE1 TYR 23 HE2 TYR 23 2.062 -17.555 -2.965 199 HE2 TYR 23 HE1 TYR 23 -1.140 -14.857 -2.139 200 HH TYR 23 HH TYR 23 -0.308 -18.080 -2.959 201 H ARG 24 H ARG 24 3.129 -12.175 2.503 202 HA ARG 24 HA ARG 24 4.238 -10.391 3.310 203 HB2 ARG 24 HB2 ARG 24 6.478 -12.368 3.023 204 HB3 ARG 24 HB3 ARG 24 6.776 -10.744 3.630 205 HG2 ARG 24 HG2 ARG 24 4.939 -12.809 4.824 206 HG3 ARG 24 HG3 ARG 24 6.474 -12.238 5.486 207 HD2 ARG 24 HD2 ARG 24 5.574 -10.050 5.860 208 HD3 ARG 24 HD3 ARG 24 4.110 -10.449 4.971 209 HE ARG 24 HE ARG 24 4.440 -12.197 7.181 210 HH11 ARG 24 HH11 ARG 24 3.527 -8.925 6.362 211 HH12 ARG 24 HH12 ARG 24 2.433 -8.747 7.693 212 HH21 ARG 24 HH21 ARG 24 2.999 -11.969 8.959 213 HH22 ARG 24 HH22 ARG 24 2.125 -10.479 9.171 214 H ARG 25 H ARG 25 3.598 -9.210 1.460 215 HA ARG 25 HA ARG 25 4.028 -7.478 0.052 216 HB2 ARG 25 HB2 ARG 25 6.969 -8.070 0.419 217 HB3 ARG 25 HB3 ARG 25 6.244 -6.560 -0.114 218 HG2 ARG 25 HG2 ARG 25 5.676 -5.922 1.990 219 HG3 ARG 25 HG3 ARG 25 5.432 -7.579 2.546 220 HD2 ARG 25 HD2 ARG 25 7.979 -7.817 2.325 221 HD3 ARG 25 HD3 ARG 25 8.005 -6.055 2.237 222 HE ARG 25 HE ARG 25 6.515 -6.589 4.460 223 HH11 ARG 25 HH11 ARG 25 9.760 -7.451 3.412 224 HH12 ARG 25 HH12 ARG 25 10.354 -7.657 5.034 225 HH21 ARG 25 HH21 ARG 25 7.296 -6.885 6.580 226 HH22 ARG 25 HH22 ARG 25 8.971 -7.291 6.836 227 H PHE 26 H PHE 26 5.065 -7.020 -2.146 228 HA PHE 26 HA PHE 26 5.627 -9.541 -3.532 229 HB2 PHE 26 HB2 PHE 26 4.952 -8.067 -5.627 230 HB3 PHE 26 HB3 PHE 26 3.757 -8.938 -4.681 231 HD1 PHE 26 HD2 PHE 26 5.285 -5.557 -5.112 232 HD2 PHE 26 HD1 PHE 26 1.965 -7.828 -3.715 233 HE1 PHE 26 HE2 PHE 26 3.997 -3.476 -4.781 234 HE2 PHE 26 HE1 PHE 26 0.679 -5.757 -3.394 235 HZ PHE 26 HZ PHE 26 1.689 -3.583 -3.932 236 HA PRO 27 HA PRO 27 9.522 -7.184 -3.672 237 HB2 PRO 27 HB2 PRO 27 11.129 -9.364 -3.540 238 HB3 PRO 27 HB3 PRO 27 10.425 -8.606 -2.108 239 HG2 PRO 27 HG2 PRO 27 9.554 -11.055 -3.582 240 HG3 PRO 27 HG3 PRO 27 9.612 -10.756 -1.835 241 HD2 PRO 27 HD2 PRO 27 7.322 -10.613 -3.318 242 HD3 PRO 27 HD3 PRO 27 7.584 -9.680 -1.831 243 H LYS 28 H LYS 28 9.365 -6.494 -5.768 244 HA LYS 28 HA LYS 28 9.828 -6.389 -7.987 245 HB2 LYS 28 HB2 LYS 28 11.668 -8.727 -7.415 246 HB3 LYS 28 HB3 LYS 28 11.775 -7.618 -8.778 247 HG2 LYS 28 HG2 LYS 28 12.341 -5.793 -7.325 248 HG3 LYS 28 HG3 LYS 28 12.059 -6.785 -5.894 249 HD2 LYS 28 HD2 LYS 28 13.904 -8.285 -6.675 250 HD3 LYS 28 HD3 LYS 28 14.244 -7.110 -7.951 251 HE2 LYS 28 HE2 LYS 28 14.637 -5.390 -6.260 252 HE3 LYS 28 HE3 LYS 28 14.284 -6.552 -4.986 253 HZ1 LYS 28 HZ1 LYS 28 16.570 -6.610 -6.876 254 HZ2 LYS 28 HZ2 LYS 28 16.189 -7.877 -5.816 255 HZ3 LYS 28 HZ3 LYS 28 16.628 -6.358 -5.204 256 H SER 29 H SER 29 7.532 -7.776 -7.304 257 HA SER 29 HA SER 29 7.481 -10.216 -8.886 258 HB2 SER 29 HB2 SER 29 5.353 -8.965 -7.141 259 HB3 SER 29 HB3 SER 29 5.266 -10.561 -7.889 260 HG SER 29 HG SER 29 7.567 -10.298 -6.513 261 H THR 30 H THR 30 5.339 -10.519 -10.144 262 HA THR 30 HA THR 30 4.748 -8.098 -11.706 263 HB THR 30 HB THR 30 4.269 -9.697 -13.614 264 HG1 THR 30 HG1 THR 30 4.179 -11.657 -12.516 265 HG21 THR 30 HG21 THR 30 6.629 -9.925 -14.256 266 HG22 THR 30 HG22 THR 30 7.112 -9.572 -12.597 267 HG23 THR 30 HG23 THR 30 6.304 -8.338 -13.561 268 H GLU 31 H GLU 31 3.122 -7.879 -10.025 269 HA GLU 31 HA GLU 31 0.937 -9.809 -10.085 270 HB2 GLU 31 HB2 GLU 31 0.116 -8.646 -8.081 271 HB3 GLU 31 HB3 GLU 31 1.773 -9.187 -7.885 272 HG2 GLU 31 HG2 GLU 31 0.900 -6.378 -8.513 273 HG3 GLU 31 HG3 GLU 31 1.403 -6.973 -6.932 274 H GLY 32 H GLY 32 -1.302 -8.569 -9.652 275 HA2 GLY 32 HA2 GLY 32 -1.712 -7.171 -12.173 276 HA3 GLY 32 HA3 GLY 32 -2.957 -7.864 -11.149 277 H ASN 33 H ASN 33 -4.195 -6.506 -10.078 278 HA ASN 33 HA ASN 33 -4.090 -3.755 -10.448 279 HB2 ASN 33 HB2 ASN 33 -5.452 -5.195 -8.159 280 HB3 ASN 33 HB3 ASN 33 -5.837 -3.586 -8.758 281 HD21 ASN 33 HD21 ASN 33 -6.983 -3.356 -10.673 282 HD22 ASN 33 HD22 ASN 33 -7.774 -4.696 -11.435 283 H LEU 34 H LEU 34 -2.950 -5.681 -7.716 284 HA LEU 34 HA LEU 34 -2.267 -3.575 -5.996 285 HB2 LEU 34 HB2 LEU 34 -1.094 -6.325 -6.297 286 HB3 LEU 34 HB3 LEU 34 -0.655 -5.219 -5.018 287 HG LEU 34 HG LEU 34 -3.433 -6.320 -5.476 288 HD11 LEU 34 HD11 LEU 34 -1.871 -8.048 -4.743 289 HD12 LEU 34 HD12 LEU 34 -3.022 -7.643 -3.469 290 HD13 LEU 34 HD13 LEU 34 -1.370 -7.028 -3.394 291 HD21 LEU 34 HD21 LEU 34 -3.910 -5.361 -3.267 292 HD22 LEU 34 HD22 LEU 34 -3.462 -4.119 -4.438 293 HD23 LEU 34 HD23 LEU 34 -2.293 -4.655 -3.232 294 H GLY 35 H GLY 35 -0.583 -5.022 -8.693 295 HA2 GLY 35 HA2 GLY 35 1.990 -4.012 -8.196 296 HA3 GLY 35 HA3 GLY 35 1.353 -4.454 -9.776 297 H GLY 36 H GLY 36 -0.675 -2.727 -10.126 298 HA2 GLY 36 HA2 GLY 36 0.744 -0.359 -10.879 299 HA3 GLY 36 HA3 GLY 36 -0.984 -0.620 -11.050 300 H TRP 37 H TRP 37 -1.397 -1.244 -8.278 301 HA TRP 37 HA TRP 37 -1.890 1.218 -7.081 302 HB2 TRP 37 HB2 TRP 37 -2.675 -1.182 -6.446 303 HB3 TRP 37 HB3 TRP 37 -1.203 -1.235 -5.485 304 HD1 TRP 37 HD1 TRP 37 -4.406 0.882 -5.808 305 HE1 TRP 37 HE1 TRP 37 -4.930 1.908 -3.516 306 HE3 TRP 37 HE3 TRP 37 -0.295 -0.745 -3.257 307 HZ2 TRP 37 HZ2 TRP 37 -3.753 1.997 -0.942 308 HZ3 TRP 37 HZ3 TRP 37 -0.070 -0.150 -0.883 309 HH2 TRP 37 HH2 TRP 37 -1.763 1.194 0.252 310 H CYS 38 H CYS 38 0.755 -1.075 -6.417 311 HA CYS 38 HA CYS 38 2.133 0.706 -4.682 312 HB2 CYS 38 HB2 CYS 38 2.356 -1.708 -4.460 313 HB3 CYS 38 HB3 CYS 38 3.070 -1.810 -6.065 314 HG CYS 38 HG CYS 38 4.458 -0.735 -3.169 315 H HIS 39 H HIS 39 2.621 -0.265 -8.067 316 HA HIS 39 HA HIS 39 5.081 0.980 -8.492 317 HB2 HIS 39 HB2 HIS 39 2.823 0.370 -10.392 318 HB3 HIS 39 HB3 HIS 39 4.367 1.006 -10.933 319 HD1 HIS 39 HD1 HIS 39 3.886 -1.516 -12.191 320 HD2 HIS 39 HD2 HIS 39 5.334 -1.396 -8.293 321 HE1 HIS 39 HE1 HIS 39 4.860 -3.793 -11.754 322 HE2 HIS 39 HE2 HIS 39 5.511 -3.767 -9.324 323 H THR 40 H THR 40 1.874 2.339 -8.421 324 HA THR 40 HA THR 40 2.733 4.882 -9.491 325 HB THR 40 HB THR 40 0.128 4.097 -8.170 326 HG1 THR 40 HG1 THR 40 0.091 3.021 -10.044 327 HG21 THR 40 HG21 THR 40 -0.773 6.131 -9.198 328 HG22 THR 40 HG22 THR 40 0.833 6.539 -9.800 329 HG23 THR 40 HG23 THR 40 0.523 6.507 -8.065 330 H GLN 41 H GLN 41 1.715 3.610 -6.330 331 HA GLN 41 HA GLN 41 1.871 6.185 -5.111 332 HB2 GLN 41 HB2 GLN 41 1.314 3.450 -4.029 333 HB3 GLN 41 HB3 GLN 41 1.319 4.914 -3.034 334 HG2 GLN 41 HG2 GLN 41 -0.440 5.871 -4.226 335 HG3 GLN 41 HG3 GLN 41 -0.275 4.721 -5.550 336 HE21 GLN 41 HE21 GLN 41 -2.172 3.895 -5.582 337 HE22 GLN 41 HE22 GLN 41 -2.881 2.993 -4.305 338 H ARG 42 H ARG 42 4.028 3.474 -5.375 339 HA ARG 42 HA ARG 42 5.836 4.052 -3.327 340 HB2 ARG 42 HB2 ARG 42 6.032 2.106 -4.897 341 HB3 ARG 42 HB3 ARG 42 6.590 3.222 -6.140 342 HG2 ARG 42 HG2 ARG 42 8.319 3.853 -4.205 343 HG3 ARG 42 HG3 ARG 42 7.992 2.175 -3.759 344 HD2 ARG 42 HD2 ARG 42 8.559 1.480 -6.053 345 HD3 ARG 42 HD3 ARG 42 8.935 3.159 -6.453 346 HE ARG 42 HE ARG 42 10.514 2.674 -4.307 347 HH11 ARG 42 HH11 ARG 42 10.073 1.063 -7.387 348 HH12 ARG 42 HH12 ARG 42 11.666 0.383 -7.392 349 HH21 ARG 42 HH21 ARG 42 12.607 1.786 -4.318 350 HH22 ARG 42 HH22 ARG 42 13.094 0.756 -5.640 351 H LYS 43 H LYS 43 5.503 5.464 -6.547 352 HA LYS 43 HA LYS 43 7.689 7.263 -6.206 353 HB2 LYS 43 HB2 LYS 43 7.122 6.470 -8.406 354 HB3 LYS 43 HB3 LYS 43 5.476 7.055 -8.246 355 HG2 LYS 43 HG2 LYS 43 7.501 9.132 -7.937 356 HG3 LYS 43 HG3 LYS 43 7.496 8.349 -9.520 357 HD2 LYS 43 HD2 LYS 43 5.081 9.539 -8.158 358 HD3 LYS 43 HD3 LYS 43 6.012 10.307 -9.438 359 HE2 LYS 43 HE2 LYS 43 4.555 7.679 -9.679 360 HE3 LYS 43 HE3 LYS 43 3.964 9.227 -10.279 361 HZ1 LYS 43 HZ1 LYS 43 4.987 7.907 -12.031 362 HZ2 LYS 43 HZ2 LYS 43 6.456 7.872 -11.185 363 HZ3 LYS 43 HZ3 LYS 43 5.847 9.341 -11.771 364 H MET 44 H MET 44 4.210 7.356 -5.741 365 HA MET 44 HA MET 44 3.875 10.103 -5.345 366 HB2 MET 44 HB2 MET 44 2.416 7.803 -4.039 367 HB3 MET 44 HB3 MET 44 1.907 9.484 -3.950 368 HG2 MET 44 HG2 MET 44 2.104 7.780 -6.413 369 HG3 MET 44 HG3 MET 44 0.635 8.368 -5.631 370 HE1 MET 44 HE1 MET 44 1.970 10.118 -9.215 371 HE2 MET 44 HE2 MET 44 0.920 8.807 -8.676 372 HE3 MET 44 HE3 MET 44 2.670 8.664 -8.495 373 H ARG 45 H ARG 45 4.725 7.560 -2.998 374 HA ARG 45 HA ARG 45 4.712 9.310 -0.786 375 HB2 ARG 45 HB2 ARG 45 5.723 7.558 0.486 376 HB3 ARG 45 HB3 ARG 45 4.536 6.850 -0.582 377 HG2 ARG 45 HG2 ARG 45 6.255 5.339 -0.704 378 HG3 ARG 45 HG3 ARG 45 6.579 6.358 -2.105 379 HD2 ARG 45 HD2 ARG 45 8.398 7.379 -1.106 380 HD3 ARG 45 HD3 ARG 45 7.837 7.017 0.524 381 HE ARG 45 HE ARG 45 8.761 4.893 0.369 382 HH11 ARG 45 HH11 ARG 45 9.093 6.592 -2.672 383 HH12 ARG 45 HH12 ARG 45 10.325 5.539 -3.284 384 HH21 ARG 45 HH21 ARG 45 10.368 3.475 -0.442 385 HH22 ARG 45 HH22 ARG 45 11.054 3.762 -2.016 386 H LYS 46 H LYS 46 7.193 8.464 -3.093 387 HA LYS 46 HA LYS 46 9.296 9.844 -1.723 388 HB2 LYS 46 HB2 LYS 46 9.658 8.037 -3.423 389 HB3 LYS 46 HB3 LYS 46 9.089 9.141 -4.662 390 HG2 LYS 46 HG2 LYS 46 11.403 9.911 -2.936 391 HG3 LYS 46 HG3 LYS 46 11.635 8.797 -4.281 392 HD2 LYS 46 HD2 LYS 46 10.388 11.535 -4.535 393 HD3 LYS 46 HD3 LYS 46 12.089 11.184 -4.845 394 HE2 LYS 46 HE2 LYS 46 9.795 9.846 -6.273 395 HE3 LYS 46 HE3 LYS 46 10.657 11.256 -6.888 396 HZ1 LYS 46 HZ1 LYS 46 11.461 9.115 -7.798 397 HZ2 LYS 46 HZ2 LYS 46 11.962 8.664 -6.243 398 HZ3 LYS 46 HZ3 LYS 46 12.671 10.003 -7.004 399 H GLN 47 H GLN 47 6.907 10.635 -4.147 400 HA GLN 47 HA GLN 47 7.939 13.201 -4.818 401 HB2 GLN 47 HB2 GLN 47 6.332 11.597 -6.107 402 HB3 GLN 47 HB3 GLN 47 5.073 12.372 -5.158 403 HG2 GLN 47 HG2 GLN 47 5.186 13.463 -7.245 404 HG3 GLN 47 HG3 GLN 47 5.853 14.556 -6.034 405 HE21 GLN 47 HE21 GLN 47 7.530 11.782 -7.334 406 HE22 GLN 47 HE22 GLN 47 8.744 12.665 -8.191 407 H GLY 48 H GLY 48 6.222 11.990 -2.157 408 HA2 GLY 48 HA2 GLY 48 5.555 13.113 -0.234 409 HA3 GLY 48 HA3 GLY 48 5.865 14.639 -1.055 410 H LYS 49 H LYS 49 3.911 12.265 -2.624 411 HA LYS 49 HA LYS 49 1.627 14.093 -2.458 412 HB2 LYS 49 HB2 LYS 49 2.619 12.140 -4.418 413 HB3 LYS 49 HB3 LYS 49 0.881 12.099 -4.184 414 HG2 LYS 49 HG2 LYS 49 1.344 13.533 -6.011 415 HG3 LYS 49 HG3 LYS 49 0.811 14.534 -4.668 416 HD2 LYS 49 HD2 LYS 49 3.723 14.088 -5.285 417 HD3 LYS 49 HD3 LYS 49 2.786 15.374 -6.046 418 HE2 LYS 49 HE2 LYS 49 2.223 16.211 -3.766 419 HE3 LYS 49 HE3 LYS 49 3.305 14.997 -3.101 420 HZ1 LYS 49 HZ1 LYS 49 4.370 17.172 -3.300 421 HZ2 LYS 49 HZ2 LYS 49 4.132 17.151 -4.979 422 HZ3 LYS 49 HZ3 LYS 49 5.148 16.007 -4.250 423 H LEU 50 H LEU 50 2.767 11.247 -1.146 424 HA LEU 50 HA LEU 50 0.130 10.144 -0.545 425 HB2 LEU 50 HB2 LEU 50 2.853 9.139 -0.673 426 HB3 LEU 50 HB3 LEU 50 2.062 8.668 0.815 427 HG LEU 50 HG LEU 50 1.031 8.098 -1.969 428 HD11 LEU 50 HD11 LEU 50 3.028 6.807 -1.448 429 HD12 LEU 50 HD12 LEU 50 1.601 5.772 -1.452 430 HD13 LEU 50 HD13 LEU 50 2.312 6.288 0.077 431 HD21 LEU 50 HD21 LEU 50 -0.594 6.672 -0.839 432 HD22 LEU 50 HD22 LEU 50 -0.764 8.353 -0.337 433 HD23 LEU 50 HD23 LEU 50 0.031 7.192 0.726 434 HA PRO 51 HA PRO 51 0.426 11.789 3.642 435 HB2 PRO 51 HB2 PRO 51 -1.836 10.753 4.618 436 HB3 PRO 51 HB3 PRO 51 -1.873 12.070 3.438 437 HG2 PRO 51 HG2 PRO 51 -2.317 9.142 3.025 438 HG3 PRO 51 HG3 PRO 51 -3.184 10.521 2.323 439 HD2 PRO 51 HD2 PRO 51 -1.191 9.110 1.031 440 HD3 PRO 51 HD3 PRO 51 -1.654 10.779 0.653 441 H ASN 52 H ASN 52 0.654 10.921 5.783 442 HA ASN 52 HA ASN 52 2.088 8.462 5.853 443 HB2 ASN 52 HB2 ASN 52 2.648 10.376 7.293 444 HB3 ASN 52 HB3 ASN 52 1.086 10.237 8.090 445 HD21 ASN 52 HD21 ASN 52 1.755 9.791 10.088 446 HD22 ASN 52 HD22 ASN 52 2.626 8.372 10.515 447 H ASP 53 H ASP 53 -1.179 9.419 6.334 448 HA ASP 53 HA ASP 53 -2.132 7.522 8.121 449 HB2 ASP 53 HB2 ASP 53 -3.610 8.661 5.737 450 HB3 ASP 53 HB3 ASP 53 -4.339 7.954 7.175 451 H ARG 54 H ARG 54 -2.088 7.325 4.561 452 HA ARG 54 HA ARG 54 -3.010 4.645 4.462 453 HB2 ARG 54 HB2 ARG 54 -3.049 6.335 2.573 454 HB3 ARG 54 HB3 ARG 54 -1.328 6.030 2.373 455 HG2 ARG 54 HG2 ARG 54 -1.835 3.645 1.989 456 HG3 ARG 54 HG3 ARG 54 -3.555 4.032 2.073 457 HD2 ARG 54 HD2 ARG 54 -1.637 5.301 0.129 458 HD3 ARG 54 HD3 ARG 54 -2.609 3.883 -0.237 459 HE ARG 54 HE ARG 54 -4.042 6.256 0.675 460 HH11 ARG 54 HH11 ARG 54 -3.014 4.268 -2.025 461 HH12 ARG 54 HH12 ARG 54 -4.178 4.950 -3.127 462 HH21 ARG 54 HH21 ARG 54 -5.551 7.169 -0.805 463 HH22 ARG 54 HH22 ARG 54 -5.603 6.576 -2.437 464 H ARG 55 H ARG 55 0.195 6.075 4.115 465 HA ARG 55 HA ARG 55 1.767 3.844 3.816 466 HB2 ARG 55 HB2 ARG 55 2.594 6.136 3.668 467 HB3 ARG 55 HB3 ARG 55 2.343 6.366 5.388 468 HG2 ARG 55 HG2 ARG 55 4.222 4.255 4.396 469 HG3 ARG 55 HG3 ARG 55 4.725 5.943 4.502 470 HD2 ARG 55 HD2 ARG 55 4.005 5.919 6.893 471 HD3 ARG 55 HD3 ARG 55 3.743 4.184 6.740 472 HE ARG 55 HE ARG 55 6.386 5.456 6.344 473 HH11 ARG 55 HH11 ARG 55 4.375 2.895 7.596 474 HH12 ARG 55 HH12 ARG 55 5.688 2.045 8.354 475 HH21 ARG 55 HH21 ARG 55 8.128 4.358 7.346 476 HH22 ARG 55 HH22 ARG 55 7.818 2.884 8.211 477 H LEU 56 H LEU 56 0.358 5.114 6.791 478 HA LEU 56 HA LEU 56 1.767 3.438 8.588 479 HB2 LEU 56 HB2 LEU 56 0.509 5.574 9.102 480 HB3 LEU 56 HB3 LEU 56 -0.969 4.636 9.004 481 HG LEU 56 HG LEU 56 -0.215 3.241 10.875 482 HD11 LEU 56 HD11 LEU 56 2.152 5.107 10.962 483 HD12 LEU 56 HD12 LEU 56 2.190 3.404 10.497 484 HD13 LEU 56 HD13 LEU 56 1.769 3.860 12.150 485 HD21 LEU 56 HD21 LEU 56 -1.559 5.225 11.312 486 HD22 LEU 56 HD22 LEU 56 -0.097 6.201 11.433 487 HD23 LEU 56 HD23 LEU 56 -0.416 4.937 12.622 488 H LEU 57 H LEU 57 -1.407 3.143 7.014 489 HA LEU 57 HA LEU 57 -2.183 0.745 8.263 490 HB2 LEU 57 HB2 LEU 57 -2.998 2.197 5.804 491 HB3 LEU 57 HB3 LEU 57 -3.462 0.514 5.929 492 HG LEU 57 HG LEU 57 -4.619 0.997 8.053 493 HD11 LEU 57 HD11 LEU 57 -5.017 3.314 8.724 494 HD12 LEU 57 HD12 LEU 57 -3.926 3.869 7.454 495 HD13 LEU 57 HD13 LEU 57 -3.303 2.906 8.793 496 HD21 LEU 57 HD21 LEU 57 -5.866 1.021 5.975 497 HD22 LEU 57 HD22 LEU 57 -5.451 2.718 5.723 498 HD23 LEU 57 HD23 LEU 57 -6.485 2.254 7.077 499 H LEU 58 H LEU 58 -0.209 1.388 5.437 500 HA LEU 58 HA LEU 58 0.060 -1.288 4.557 501 HB2 LEU 58 HB2 LEU 58 1.595 1.239 4.156 502 HB3 LEU 58 HB3 LEU 58 2.365 -0.272 3.721 503 HG LEU 58 HG LEU 58 1.352 0.748 1.774 504 HD11 LEU 58 HD11 LEU 58 -0.161 -1.686 2.693 505 HD12 LEU 58 HD12 LEU 58 1.412 -1.672 1.892 506 HD13 LEU 58 HD13 LEU 58 -0.022 -1.119 1.029 507 HD21 LEU 58 HD21 LEU 58 -0.394 2.046 2.851 508 HD22 LEU 58 HD22 LEU 58 -1.247 0.567 3.289 509 HD23 LEU 58 HD23 LEU 58 -1.074 1.014 1.592 510 H ASP 59 H ASP 59 1.804 0.655 6.905 511 HA ASP 59 HA ASP 59 3.924 -1.153 7.378 512 HB2 ASP 59 HB2 ASP 59 3.812 1.289 8.064 513 HB3 ASP 59 HB3 ASP 59 2.769 0.784 9.389 514 H LYS 60 H LYS 60 0.712 -0.790 8.751 515 HA LYS 60 HA LYS 60 1.023 -2.523 10.933 516 HB2 LYS 60 HB2 LYS 60 -1.177 -1.177 9.552 517 HB3 LYS 60 HB3 LYS 60 -1.636 -2.697 10.301 518 HG2 LYS 60 HG2 LYS 60 -2.029 -0.887 11.831 519 HG3 LYS 60 HG3 LYS 60 -0.714 -1.893 12.439 520 HD2 LYS 60 HD2 LYS 60 0.899 -0.269 11.480 521 HD3 LYS 60 HD3 LYS 60 -0.460 0.764 11.034 522 HE2 LYS 60 HE2 LYS 60 0.324 -0.084 13.820 523 HE3 LYS 60 HE3 LYS 60 0.511 1.523 13.117 524 HZ1 LYS 60 HZ1 LYS 60 -1.428 1.419 14.544 525 HZ2 LYS 60 HZ2 LYS 60 -2.073 0.139 13.637 526 HZ3 LYS 60 HZ3 LYS 60 -1.906 1.675 12.936 527 H ILE 61 H ILE 61 -0.066 -3.148 7.603 528 HA ILE 61 HA ILE 61 -0.623 -5.903 8.183 529 HB ILE 61 HB ILE 61 -0.838 -6.196 5.726 530 HG12 ILE 61 HG12 ILE 61 -0.315 -3.217 5.613 531 HG13 ILE 61 HG13 ILE 61 0.815 -4.455 5.072 532 HG21 ILE 61 HG21 ILE 61 -2.751 -5.605 7.080 533 HG22 ILE 61 HG22 ILE 61 -2.848 -4.815 5.506 534 HG23 ILE 61 HG23 ILE 61 -2.360 -3.892 6.928 535 HD11 ILE 61 HD11 ILE 61 -1.930 -3.978 3.930 536 HD12 ILE 61 HD12 ILE 61 -0.763 -5.178 3.371 537 HD13 ILE 61 HD13 ILE 61 -0.405 -3.459 3.214 538 H GLY 62 H GLY 62 2.201 -4.123 7.481 539 HA2 GLY 62 HA2 GLY 62 4.307 -5.190 7.997 540 HA3 GLY 62 HA3 GLY 62 3.670 -6.673 7.300 541 H PHE 63 H PHE 63 3.344 -3.518 5.791 542 HA PHE 63 HA PHE 63 4.909 -4.496 3.531 543 HB2 PHE 63 HB2 PHE 63 2.635 -3.416 3.236 544 HB3 PHE 63 HB3 PHE 63 3.373 -1.900 3.733 545 HD1 PHE 63 HD2 PHE 63 3.528 -4.573 1.174 546 HD2 PHE 63 HD1 PHE 63 4.527 -0.561 2.193 547 HE1 PHE 63 HE2 PHE 63 4.221 -4.165 -1.148 548 HE2 PHE 63 HE1 PHE 63 5.221 -0.143 -0.130 549 HZ PHE 63 HZ PHE 63 5.071 -1.943 -1.803 550 H VAL 64 H VAL 64 6.843 -3.738 2.965 551 HA VAL 64 HA VAL 64 8.037 -1.687 4.669 552 HB VAL 64 HB VAL 64 9.125 -3.912 4.665 553 HG11 VAL 64 HG11 VAL 64 10.345 -4.690 2.709 554 HG12 VAL 64 HG12 VAL 64 9.718 -3.337 1.768 555 HG13 VAL 64 HG13 VAL 64 8.618 -4.575 2.375 556 HG21 VAL 64 HG21 VAL 64 11.408 -3.127 4.296 557 HG22 VAL 64 HG22 VAL 64 10.436 -1.928 5.151 558 HG23 VAL 64 HG23 VAL 64 10.781 -1.723 3.433 559 H TRP 65 H TRP 65 8.988 0.120 3.765 560 HA TRP 65 HA TRP 65 8.258 0.603 0.962 561 HB2 TRP 65 HB2 TRP 65 8.982 2.536 3.174 562 HB3 TRP 65 HB3 TRP 65 8.544 2.999 1.532 563 HD1 TRP 65 HD1 TRP 65 7.009 1.682 4.783 564 HE1 TRP 65 HE1 TRP 65 4.452 1.914 4.641 565 HE3 TRP 65 HE3 TRP 65 6.578 3.075 -0.123 566 HZ2 TRP 65 HZ2 TRP 65 2.516 2.604 2.724 567 HZ3 TRP 65 HZ3 TRP 65 4.330 3.502 -1.028 568 HH2 TRP 65 HH2 TRP 65 2.341 3.271 0.368 569 H SER 66 H SER 66 10.843 -0.446 2.601 570 HA SER 66 HA SER 66 12.995 -0.836 2.011 571 HB2 SER 66 HB2 SER 66 12.190 -0.984 -0.312 572 HB3 SER 66 HB3 SER 66 12.358 0.762 -0.485 573 HG SER 66 HG SER 66 14.170 -0.279 -1.338 574 H LEU 67 H LEU 67 15.052 0.152 2.123 575 HA LEU 67 HA LEU 67 15.039 2.787 3.309 576 HB2 LEU 67 HB2 LEU 67 16.582 0.600 3.702 577 HB3 LEU 67 HB3 LEU 67 17.598 1.475 2.573 578 HG LEU 67 HG LEU 67 18.188 1.873 4.949 579 HD11 LEU 67 HD11 LEU 67 18.331 4.304 4.820 580 HD12 LEU 67 HD12 LEU 67 17.171 4.306 3.493 581 HD13 LEU 67 HD13 LEU 67 18.751 3.551 3.282 582 HD21 LEU 67 HD21 LEU 67 16.714 3.297 6.308 583 HD22 LEU 67 HD22 LEU 67 15.998 1.727 5.949 584 HD23 LEU 67 HD23 LEU 67 15.467 3.159 5.068 585 H GLU 68 H GLU 68 15.708 1.292 0.287 586 HA GLU 68 HA GLU 68 15.851 2.097 -1.816 587 HB2 GLU 68 HB2 GLU 68 15.305 4.765 -0.514 588 HB3 GLU 68 HB3 GLU 68 15.351 4.494 -2.252 589 HG2 GLU 68 HG2 GLU 68 13.495 3.018 -0.413 590 HG3 GLU 68 HG3 GLU 68 13.070 4.539 -1.199 591 H HIS 69 H HIS 69 17.425 4.707 0.082 592 HA HIS 69 HA HIS 69 19.734 4.355 -1.715 593 HB2 HIS 69 HB2 HIS 69 18.615 6.998 -0.764 594 HB3 HIS 69 HB3 HIS 69 20.017 6.779 -1.810 595 HD1 HIS 69 HD1 HIS 69 16.475 7.395 -1.931 596 HD2 HIS 69 HD2 HIS 69 19.234 5.437 -4.354 597 HE1 HIS 69 HE1 HIS 69 15.363 7.155 -4.175 598 HE2 HIS 69 HE2 HIS 69 17.113 6.123 -5.665 599 H HIS 70 H HIS 70 20.609 3.091 -0.025 600 HA HIS 70 HA HIS 70 22.657 4.357 1.321 601 HB2 HIS 70 HB2 HIS 70 20.743 5.154 2.822 602 HB3 HIS 70 HB3 HIS 70 20.566 3.475 3.324 603 HD1 HIS 70 HD1 HIS 70 21.742 6.302 4.771 604 HD2 HIS 70 HD2 HIS 70 23.633 2.679 3.967 605 HE1 HIS 70 HE1 HIS 70 23.692 6.183 6.359 606 HE2 HIS 70 HE2 HIS 70 24.880 4.033 5.791 607 H HIS 71 H HIS 71 23.685 2.620 0.329 608 HA HIS 71 HA HIS 71 22.939 -0.057 0.596 609 HB2 HIS 71 HB2 HIS 71 25.185 -0.641 -0.159 610 HB3 HIS 71 HB3 HIS 71 24.535 0.686 -1.106 611 HD1 HIS 71 HD1 HIS 71 27.443 -0.320 0.844 612 HD2 HIS 71 HD2 HIS 71 25.719 3.258 -0.396 613 HE1 HIS 71 HE1 HIS 71 29.236 1.422 1.089 614 HE2 HIS 71 HE2 HIS 71 28.235 3.522 0.124 615 H HIS 72 H HIS 72 22.958 -1.406 2.202 616 HA HIS 72 HA HIS 72 24.143 -0.680 4.734 617 HB2 HIS 72 HB2 HIS 72 22.645 -3.169 3.870 618 HB3 HIS 72 HB3 HIS 72 23.134 -2.815 5.522 619 HD1 HIS 72 HD1 HIS 72 20.901 -1.313 2.813 620 HD2 HIS 72 HD2 HIS 72 21.270 -1.460 6.954 621 HE1 HIS 72 HE1 HIS 72 18.865 -0.157 3.719 622 HE2 HIS 72 HE2 HIS 72 18.994 -0.482 6.210 623 H HIS 73 H HIS 73 25.879 -1.731 5.733 624 HA HIS 73 HA HIS 73 27.361 -3.582 3.988 625 HB2 HIS 73 HB2 HIS 73 29.463 -2.657 4.771 626 HB3 HIS 73 HB3 HIS 73 28.473 -1.378 4.088 627 HD1 HIS 73 HD1 HIS 73 28.029 0.617 5.537 628 HD2 HIS 73 HD2 HIS 73 29.603 -2.592 7.670 629 HE1 HIS 73 HE1 HIS 73 28.547 1.511 7.833 630 HE2 HIS 73 HE2 HIS 73 29.350 -0.484 9.149 631 H HIS 74 H HIS 74 28.540 -5.239 4.969 632 HA HIS 74 HA HIS 74 27.532 -5.948 7.636 633 HB2 HIS 74 HB2 HIS 74 28.822 -7.696 5.526 634 HB3 HIS 74 HB3 HIS 74 28.258 -8.254 7.097 635 HD1 HIS 74 HD1 HIS 74 27.183 -7.698 3.670 636 HD2 HIS 74 HD2 HIS 74 25.349 -8.054 7.386 637 HE1 HIS 74 HE1 HIS 74 24.758 -8.155 3.187 638 HE2 HIS 74 HE2 HIS 74 23.728 -8.590 5.440 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -5.660 7.376 -12.939 2 H2 MET 1 H2 MET 1 -4.661 7.868 -14.214 3 H3 MET 1 H3 MET 1 -5.174 8.997 -13.057 4 HA MET 1 HA MET 1 -3.422 6.666 -12.548 5 HB2 MET 1 HB2 MET 1 -2.791 9.610 -12.774 6 HB3 MET 1 HB3 MET 1 -1.694 8.437 -12.064 7 HG2 MET 1 HG2 MET 1 -1.686 7.206 -14.208 8 HG3 MET 1 HG3 MET 1 -2.685 8.480 -14.903 9 HE1 MET 1 HE1 MET 1 0.132 7.501 -16.106 10 HE2 MET 1 HE2 MET 1 0.852 9.051 -16.539 11 HE3 MET 1 HE3 MET 1 -0.859 8.759 -16.852 12 H ASN 2 H ASN 2 -3.868 9.882 -11.073 13 HA ASN 2 HA ASN 2 -3.843 8.597 -8.459 14 HB2 ASN 2 HB2 ASN 2 -3.677 11.483 -9.322 15 HB3 ASN 2 HB3 ASN 2 -3.802 11.001 -7.634 16 HD21 ASN 2 HD21 ASN 2 -2.071 9.998 -6.641 17 HD22 ASN 2 HD22 ASN 2 -0.487 9.985 -7.331 18 H GLN 3 H GLN 3 -6.100 10.089 -10.615 19 HA GLN 3 HA GLN 3 -8.076 10.279 -8.456 20 HB2 GLN 3 HB2 GLN 3 -7.740 12.310 -9.817 21 HB3 GLN 3 HB3 GLN 3 -8.195 11.411 -11.259 22 HG2 GLN 3 HG2 GLN 3 -10.428 11.093 -10.413 23 HG3 GLN 3 HG3 GLN 3 -9.991 11.853 -8.884 24 HE21 GLN 3 HE21 GLN 3 -9.703 14.072 -8.797 25 HE22 GLN 3 HE22 GLN 3 -10.296 15.126 -10.042 26 H ASN 4 H ASN 4 -9.092 8.440 -8.177 27 HA ASN 4 HA ASN 4 -10.287 7.125 -10.538 28 HB2 ASN 4 HB2 ASN 4 -9.437 5.901 -7.900 29 HB3 ASN 4 HB3 ASN 4 -10.337 5.047 -9.148 30 HD21 ASN 4 HD21 ASN 4 -7.669 4.616 -7.952 31 HD22 ASN 4 HD22 ASN 4 -6.581 4.552 -9.289 32 H LEU 5 H LEU 5 -10.659 7.577 -7.046 33 HA LEU 5 HA LEU 5 -12.432 8.079 -5.720 34 HB2 LEU 5 HB2 LEU 5 -13.711 9.001 -8.292 35 HB3 LEU 5 HB3 LEU 5 -14.290 9.366 -6.678 36 HG LEU 5 HG LEU 5 -11.643 10.269 -7.821 37 HD11 LEU 5 HD11 LEU 5 -13.537 11.360 -8.897 38 HD12 LEU 5 HD12 LEU 5 -12.660 12.486 -7.860 39 HD13 LEU 5 HD13 LEU 5 -14.191 11.797 -7.317 40 HD21 LEU 5 HD21 LEU 5 -11.523 11.676 -5.822 41 HD22 LEU 5 HD22 LEU 5 -11.562 9.964 -5.403 42 HD23 LEU 5 HD23 LEU 5 -13.014 10.948 -5.221 43 H GLN 6 H GLN 6 -12.206 5.491 -7.163 44 HA GLN 6 HA GLN 6 -15.020 4.648 -7.180 45 HB2 GLN 6 HB2 GLN 6 -12.555 3.295 -8.295 46 HB3 GLN 6 HB3 GLN 6 -14.171 2.604 -8.329 47 HG2 GLN 6 HG2 GLN 6 -13.291 5.137 -9.699 48 HG3 GLN 6 HG3 GLN 6 -13.585 3.580 -10.470 49 HE21 GLN 6 HE21 GLN 6 -15.022 6.398 -9.063 50 HE22 GLN 6 HE22 GLN 6 -16.643 6.068 -9.560 51 H GLY 7 H GLY 7 -15.497 2.519 -6.217 52 HA2 GLY 7 HA2 GLY 7 -14.376 2.373 -3.568 53 HA3 GLY 7 HA3 GLY 7 -15.678 1.384 -4.210 54 H GLU 8 H GLU 8 -12.261 1.860 -5.047 55 HA GLU 8 HA GLU 8 -11.946 -1.033 -5.307 56 HB2 GLU 8 HB2 GLU 8 -11.120 0.400 -7.129 57 HB3 GLU 8 HB3 GLU 8 -10.074 1.243 -5.998 58 HG2 GLU 8 HG2 GLU 8 -8.802 -0.326 -7.315 59 HG3 GLU 8 HG3 GLU 8 -8.817 -0.822 -5.623 60 H TRP 9 H TRP 9 -10.971 1.666 -3.331 61 HA TRP 9 HA TRP 9 -8.656 0.568 -2.170 62 HB2 TRP 9 HB2 TRP 9 -9.050 2.926 -2.042 63 HB3 TRP 9 HB3 TRP 9 -10.573 2.689 -1.202 64 HD1 TRP 9 HD1 TRP 9 -10.269 3.593 1.151 65 HE1 TRP 9 HE1 TRP 9 -8.513 3.363 3.022 66 HE3 TRP 9 HE3 TRP 9 -6.772 0.829 -1.365 67 HZ2 TRP 9 HZ2 TRP 9 -5.986 2.164 3.374 68 HZ3 TRP 9 HZ3 TRP 9 -4.715 0.180 -0.180 69 HH2 TRP 9 HH2 TRP 9 -4.333 0.834 2.139 70 H MET 10 H MET 10 -12.024 0.560 -1.071 71 HA MET 10 HA MET 10 -11.670 -0.610 1.423 72 HB2 MET 10 HB2 MET 10 -13.952 -0.951 -0.518 73 HB3 MET 10 HB3 MET 10 -13.999 -1.479 1.156 74 HG2 MET 10 HG2 MET 10 -13.539 1.367 0.306 75 HG3 MET 10 HG3 MET 10 -15.123 0.697 0.685 76 HE1 MET 10 HE1 MET 10 -11.490 0.471 2.363 77 HE2 MET 10 HE2 MET 10 -11.745 1.592 3.700 78 HE3 MET 10 HE3 MET 10 -11.812 2.175 2.038 79 H LYS 11 H LYS 11 -11.901 -2.145 -1.731 80 HA LYS 11 HA LYS 11 -11.635 -4.820 -0.709 81 HB2 LYS 11 HB2 LYS 11 -12.790 -4.431 -2.812 82 HB3 LYS 11 HB3 LYS 11 -11.364 -3.655 -3.487 83 HG2 LYS 11 HG2 LYS 11 -10.383 -6.095 -2.773 84 HG3 LYS 11 HG3 LYS 11 -12.034 -6.485 -3.267 85 HD2 LYS 11 HD2 LYS 11 -9.933 -5.043 -4.879 86 HD3 LYS 11 HD3 LYS 11 -10.607 -6.643 -5.191 87 HE2 LYS 11 HE2 LYS 11 -12.778 -5.668 -5.642 88 HE3 LYS 11 HE3 LYS 11 -12.171 -4.065 -5.241 89 HZ1 LYS 11 HZ1 LYS 11 -10.678 -4.168 -7.111 90 HZ2 LYS 11 HZ2 LYS 11 -12.268 -4.456 -7.640 91 HZ3 LYS 11 HZ3 LYS 11 -11.185 -5.746 -7.476 92 H ASN 12 H ASN 12 -9.587 -2.498 -2.384 93 HA ASN 12 HA ASN 12 -7.322 -3.999 -2.848 94 HB2 ASN 12 HB2 ASN 12 -7.873 -1.662 -3.656 95 HB3 ASN 12 HB3 ASN 12 -7.323 -1.076 -2.090 96 HD21 ASN 12 HD21 ASN 12 -6.418 -2.375 -5.139 97 HD22 ASN 12 HD22 ASN 12 -4.716 -2.149 -4.964 98 H TYR 13 H TYR 13 -8.073 -1.994 -0.025 99 HA TYR 13 HA TYR 13 -5.720 -2.316 1.405 100 HB2 TYR 13 HB2 TYR 13 -7.376 -0.722 2.100 101 HB3 TYR 13 HB3 TYR 13 -8.574 -1.987 2.341 102 HD1 TYR 13 HD2 TYR 13 -5.091 -1.254 3.533 103 HD2 TYR 13 HD1 TYR 13 -9.046 -2.469 4.539 104 HE1 TYR 13 HE2 TYR 13 -4.434 -1.423 5.897 105 HE2 TYR 13 HE1 TYR 13 -8.398 -2.641 6.904 106 HH TYR 13 HH TYR 13 -6.473 -2.894 8.272 107 H GLU 14 H GLU 14 -8.676 -4.279 1.588 108 HA GLU 14 HA GLU 14 -7.666 -6.125 3.472 109 HB2 GLU 14 HB2 GLU 14 -9.984 -6.144 1.568 110 HB3 GLU 14 HB3 GLU 14 -9.609 -7.552 2.551 111 HG2 GLU 14 HG2 GLU 14 -10.166 -4.797 3.619 112 HG3 GLU 14 HG3 GLU 14 -11.332 -6.119 3.550 113 H GLU 15 H GLU 15 -7.670 -6.050 -0.035 114 HA GLU 15 HA GLU 15 -6.881 -8.766 -0.367 115 HB2 GLU 15 HB2 GLU 15 -7.903 -6.877 -2.024 116 HB3 GLU 15 HB3 GLU 15 -6.212 -6.847 -2.507 117 HG2 GLU 15 HG2 GLU 15 -7.476 -8.380 -3.889 118 HG3 GLU 15 HG3 GLU 15 -6.282 -9.249 -2.925 119 H LEU 16 H LEU 16 -5.168 -5.707 -0.083 120 HA LEU 16 HA LEU 16 -2.610 -6.849 -0.783 121 HB2 LEU 16 HB2 LEU 16 -3.432 -4.358 -0.958 122 HB3 LEU 16 HB3 LEU 16 -2.945 -4.273 0.721 123 HG LEU 16 HG LEU 16 -1.067 -5.098 -1.493 124 HD11 LEU 16 HD11 LEU 16 -0.170 -2.825 -1.366 125 HD12 LEU 16 HD12 LEU 16 -1.467 -2.382 -0.257 126 HD13 LEU 16 HD13 LEU 16 -1.845 -2.840 -1.918 127 HD21 LEU 16 HD21 LEU 16 -0.373 -5.814 0.728 128 HD22 LEU 16 HD22 LEU 16 -0.575 -4.170 1.335 129 HD23 LEU 16 HD23 LEU 16 0.672 -4.519 0.138 130 H LYS 17 H LYS 17 -4.426 -6.002 2.062 131 HA LYS 17 HA LYS 17 -2.624 -6.543 4.091 132 HB2 LYS 17 HB2 LYS 17 -4.847 -5.591 4.418 133 HB3 LYS 17 HB3 LYS 17 -5.590 -7.104 3.936 134 HG2 LYS 17 HG2 LYS 17 -4.637 -8.199 5.877 135 HG3 LYS 17 HG3 LYS 17 -3.881 -6.683 6.367 136 HD2 LYS 17 HD2 LYS 17 -6.072 -5.649 6.602 137 HD3 LYS 17 HD3 LYS 17 -6.847 -7.132 6.046 138 HE2 LYS 17 HE2 LYS 17 -6.004 -8.327 7.989 139 HE3 LYS 17 HE3 LYS 17 -5.167 -6.874 8.536 140 HZ1 LYS 17 HZ1 LYS 17 -8.113 -7.179 8.254 141 HZ2 LYS 17 HZ2 LYS 17 -7.310 -5.777 8.769 142 HZ3 LYS 17 HZ3 LYS 17 -7.247 -7.181 9.711 143 H SER 18 H SER 18 -4.697 -8.731 2.263 144 HA SER 18 HA SER 18 -3.862 -11.074 3.661 145 HB2 SER 18 HB2 SER 18 -5.230 -10.825 0.971 146 HB3 SER 18 HB3 SER 18 -5.140 -12.281 1.966 147 HG SER 18 HG SER 18 -6.580 -9.894 2.416 148 H PHE 19 H PHE 19 -2.741 -9.330 0.846 149 HA PHE 19 HA PHE 19 -1.123 -11.459 -0.165 150 HB2 PHE 19 HB2 PHE 19 -1.729 -8.683 -0.874 151 HB3 PHE 19 HB3 PHE 19 -0.077 -9.161 -1.225 152 HD1 PHE 19 HD2 PHE 19 -3.592 -10.288 -1.714 153 HD2 PHE 19 HD1 PHE 19 0.399 -10.281 -3.193 154 HE1 PHE 19 HE2 PHE 19 -4.357 -11.397 -3.772 155 HE2 PHE 19 HE1 PHE 19 -0.360 -11.391 -5.254 156 HZ PHE 19 HZ PHE 19 -2.741 -11.949 -5.547 157 H VAL 20 H VAL 20 -0.466 -8.504 1.707 158 HA VAL 20 HA VAL 20 2.327 -8.883 1.841 159 HB VAL 20 HB VAL 20 1.129 -6.731 2.313 160 HG11 VAL 20 HG11 VAL 20 0.591 -8.033 4.974 161 HG12 VAL 20 HG12 VAL 20 -0.611 -7.548 3.776 162 HG13 VAL 20 HG13 VAL 20 0.352 -6.325 4.606 163 HG21 VAL 20 HG21 VAL 20 3.117 -7.699 4.360 164 HG22 VAL 20 HG22 VAL 20 2.694 -6.010 4.080 165 HG23 VAL 20 HG23 VAL 20 3.475 -6.946 2.806 166 H ARG 21 H ARG 21 -0.305 -10.070 3.874 167 HA ARG 21 HA ARG 21 1.482 -11.103 5.882 168 HB2 ARG 21 HB2 ARG 21 -0.445 -11.981 6.958 169 HB3 ARG 21 HB3 ARG 21 -0.941 -10.435 6.280 170 HG2 ARG 21 HG2 ARG 21 -2.037 -11.545 4.445 171 HG3 ARG 21 HG3 ARG 21 -1.444 -13.112 4.996 172 HD2 ARG 21 HD2 ARG 21 -2.710 -12.741 7.125 173 HD3 ARG 21 HD3 ARG 21 -3.419 -11.306 6.382 174 HE ARG 21 HE ARG 21 -3.834 -13.432 4.634 175 HH11 ARG 21 HH11 ARG 21 -4.844 -12.468 7.856 176 HH12 ARG 21 HH12 ARG 21 -6.338 -13.358 7.785 177 HH21 ARG 21 HH21 ARG 21 -5.766 -14.589 4.543 178 HH22 ARG 21 HH22 ARG 21 -6.861 -14.575 5.901 179 H LYS 22 H LYS 22 0.466 -12.084 2.819 180 HA LYS 22 HA LYS 22 0.523 -14.915 3.260 181 HB2 LYS 22 HB2 LYS 22 -0.889 -13.917 1.523 182 HB3 LYS 22 HB3 LYS 22 0.539 -13.315 0.696 183 HG2 LYS 22 HG2 LYS 22 -0.375 -15.310 -0.372 184 HG3 LYS 22 HG3 LYS 22 1.260 -15.577 0.230 185 HD2 LYS 22 HD2 LYS 22 0.403 -16.762 2.148 186 HD3 LYS 22 HD3 LYS 22 -1.257 -16.391 1.677 187 HE2 LYS 22 HE2 LYS 22 -1.034 -17.716 -0.324 188 HE3 LYS 22 HE3 LYS 22 0.675 -17.993 0.006 189 HZ1 LYS 22 HZ1 LYS 22 -0.779 -19.876 0.602 190 HZ2 LYS 22 HZ2 LYS 22 -1.532 -18.902 1.770 191 HZ3 LYS 22 HZ3 LYS 22 0.115 -19.280 1.916 192 H TYR 23 H TYR 23 2.553 -12.869 1.133 193 HA TYR 23 HA TYR 23 4.756 -14.750 1.687 194 HB2 TYR 23 HB2 TYR 23 4.140 -13.244 -0.861 195 HB3 TYR 23 HB3 TYR 23 5.623 -14.151 -0.587 196 HD1 TYR 23 HD1 TYR 23 5.088 -16.647 0.356 197 HD2 TYR 23 HD2 TYR 23 2.543 -14.317 -2.133 198 HE1 TYR 23 HE1 TYR 23 3.988 -18.699 -0.430 199 HE2 TYR 23 HE2 TYR 23 1.432 -16.364 -2.919 200 HH TYR 23 HH TYR 23 1.844 -18.736 -3.103 201 H ARG 24 H ARG 24 3.862 -11.980 2.775 202 HA ARG 24 HA ARG 24 4.822 -10.101 3.593 203 HB2 ARG 24 HB2 ARG 24 7.376 -11.616 3.049 204 HB3 ARG 24 HB3 ARG 24 7.305 -10.084 3.907 205 HG2 ARG 24 HG2 ARG 24 5.976 -12.641 4.772 206 HG3 ARG 24 HG3 ARG 24 7.471 -11.980 5.433 207 HD2 ARG 24 HD2 ARG 24 6.130 -9.903 6.007 208 HD3 ARG 24 HD3 ARG 24 4.692 -10.844 5.616 209 HE ARG 24 HE ARG 24 5.629 -12.456 7.388 210 HH11 ARG 24 HH11 ARG 24 6.001 -8.970 7.473 211 HH12 ARG 24 HH12 ARG 24 6.100 -8.893 9.205 212 HH21 ARG 24 HH21 ARG 24 5.769 -12.350 9.684 213 HH22 ARG 24 HH22 ARG 24 5.981 -10.802 10.446 214 H ARG 25 H ARG 25 4.061 -8.783 1.981 215 HA ARG 25 HA ARG 25 4.174 -7.185 0.375 216 HB2 ARG 25 HB2 ARG 25 6.491 -6.851 1.437 217 HB3 ARG 25 HB3 ARG 25 7.118 -7.788 0.096 218 HG2 ARG 25 HG2 ARG 25 5.427 -5.488 -0.621 219 HG3 ARG 25 HG3 ARG 25 6.981 -5.115 0.125 220 HD2 ARG 25 HD2 ARG 25 7.844 -6.894 -1.615 221 HD3 ARG 25 HD3 ARG 25 6.377 -6.426 -2.472 222 HE ARG 25 HE ARG 25 8.050 -4.227 -1.590 223 HH11 ARG 25 HH11 ARG 25 7.188 -6.359 -4.242 224 HH12 ARG 25 HH12 ARG 25 8.006 -5.403 -5.440 225 HH21 ARG 25 HH21 ARG 25 9.106 -2.975 -3.147 226 HH22 ARG 25 HH22 ARG 25 9.101 -3.472 -4.813 227 H PHE 26 H PHE 26 4.626 -7.002 -2.049 228 HA PHE 26 HA PHE 26 4.574 -9.698 -3.203 229 HB2 PHE 26 HB2 PHE 26 3.218 -8.623 -5.088 230 HB3 PHE 26 HB3 PHE 26 2.413 -8.881 -3.551 231 HD1 PHE 26 HD1 PHE 26 2.083 -6.900 -2.011 232 HD2 PHE 26 HD2 PHE 26 3.340 -6.486 -6.059 233 HE1 PHE 26 HE1 PHE 26 1.345 -4.549 -1.998 234 HE2 PHE 26 HE2 PHE 26 2.609 -4.132 -6.047 235 HZ PHE 26 HZ PHE 26 1.605 -3.167 -4.017 236 HA PRO 27 HA PRO 27 8.171 -7.822 -5.251 237 HB2 PRO 27 HB2 PRO 27 9.927 -9.767 -4.740 238 HB3 PRO 27 HB3 PRO 27 9.466 -8.599 -3.496 239 HG2 PRO 27 HG2 PRO 27 8.643 -11.437 -3.829 240 HG3 PRO 27 HG3 PRO 27 8.890 -10.505 -2.345 241 HD2 PRO 27 HD2 PRO 27 6.427 -11.056 -3.604 242 HD3 PRO 27 HD3 PRO 27 6.707 -9.910 -2.279 243 H LYS 28 H LYS 28 6.237 -10.494 -5.801 244 HA LYS 28 HA LYS 28 7.372 -10.871 -8.478 245 HB2 LYS 28 HB2 LYS 28 8.122 -12.727 -6.958 246 HB3 LYS 28 HB3 LYS 28 6.430 -13.152 -6.729 247 HG2 LYS 28 HG2 LYS 28 6.298 -13.427 -9.239 248 HG3 LYS 28 HG3 LYS 28 8.060 -13.315 -9.246 249 HD2 LYS 28 HD2 LYS 28 6.388 -15.361 -7.789 250 HD3 LYS 28 HD3 LYS 28 7.381 -15.639 -9.219 251 HE2 LYS 28 HE2 LYS 28 9.391 -15.154 -7.966 252 HE3 LYS 28 HE3 LYS 28 8.438 -14.731 -6.544 253 HZ1 LYS 28 HZ1 LYS 28 9.235 -16.927 -6.247 254 HZ2 LYS 28 HZ2 LYS 28 8.725 -17.408 -7.791 255 HZ3 LYS 28 HZ3 LYS 28 7.578 -17.058 -6.591 256 H SER 29 H SER 29 4.691 -11.600 -6.287 257 HA SER 29 HA SER 29 2.729 -11.886 -8.302 258 HB2 SER 29 HB2 SER 29 2.257 -11.033 -5.443 259 HB3 SER 29 HB3 SER 29 1.166 -11.931 -6.500 260 HG SER 29 HG SER 29 2.328 -13.731 -6.221 261 H THR 30 H THR 30 1.302 -10.395 -9.147 262 HA THR 30 HA THR 30 1.811 -7.584 -8.411 263 HB THR 30 HB THR 30 1.243 -7.016 -10.801 264 HG1 THR 30 HG1 THR 30 1.264 -9.833 -10.947 265 HG21 THR 30 HG21 THR 30 3.477 -7.564 -11.659 266 HG22 THR 30 HG22 THR 30 3.693 -8.723 -10.347 267 HG23 THR 30 HG23 THR 30 3.550 -7.004 -9.986 268 H GLU 31 H GLU 31 -0.527 -9.938 -9.591 269 HA GLU 31 HA GLU 31 -2.770 -10.144 -9.294 270 HB2 GLU 31 HB2 GLU 31 -2.138 -9.436 -6.957 271 HB3 GLU 31 HB3 GLU 31 -2.540 -7.791 -7.408 272 HG2 GLU 31 HG2 GLU 31 -4.588 -9.925 -7.731 273 HG3 GLU 31 HG3 GLU 31 -4.225 -9.300 -6.132 274 H GLY 32 H GLY 32 -1.331 -7.740 -10.770 275 HA2 GLY 32 HA2 GLY 32 -2.024 -6.381 -12.516 276 HA3 GLY 32 HA3 GLY 32 -3.679 -6.884 -12.193 277 H ASN 33 H ASN 33 -4.584 -5.982 -10.063 278 HA ASN 33 HA ASN 33 -4.515 -3.148 -10.333 279 HB2 ASN 33 HB2 ASN 33 -5.931 -4.972 -8.396 280 HB3 ASN 33 HB3 ASN 33 -6.061 -3.217 -8.311 281 HD21 ASN 33 HD21 ASN 33 -8.128 -5.170 -8.809 282 HD22 ASN 33 HD22 ASN 33 -8.811 -4.780 -10.352 283 H LEU 34 H LEU 34 -3.502 -5.348 -7.706 284 HA LEU 34 HA LEU 34 -2.526 -3.379 -5.971 285 HB2 LEU 34 HB2 LEU 34 -1.596 -6.213 -6.384 286 HB3 LEU 34 HB3 LEU 34 -1.043 -5.193 -5.075 287 HG LEU 34 HG LEU 34 -3.893 -6.091 -5.518 288 HD11 LEU 34 HD11 LEU 34 -3.552 -7.429 -3.516 289 HD12 LEU 34 HD12 LEU 34 -1.876 -6.889 -3.427 290 HD13 LEU 34 HD13 LEU 34 -2.409 -7.888 -4.778 291 HD21 LEU 34 HD21 LEU 34 -2.667 -4.491 -3.273 292 HD22 LEU 34 HD22 LEU 34 -4.327 -5.084 -3.336 293 HD23 LEU 34 HD23 LEU 34 -3.779 -3.876 -4.497 294 H GLY 35 H GLY 35 -0.879 -5.117 -8.576 295 HA2 GLY 35 HA2 GLY 35 1.675 -4.050 -8.268 296 HA3 GLY 35 HA3 GLY 35 0.987 -4.577 -9.798 297 H GLY 36 H GLY 36 -1.089 -2.772 -10.066 298 HA2 GLY 36 HA2 GLY 36 0.276 -0.461 -11.028 299 HA3 GLY 36 HA3 GLY 36 -1.467 -0.691 -10.983 300 H TRP 37 H TRP 37 -1.793 -1.114 -8.249 301 HA TRP 37 HA TRP 37 -2.004 1.425 -7.142 302 HB2 TRP 37 HB2 TRP 37 -2.920 -0.942 -6.382 303 HB3 TRP 37 HB3 TRP 37 -1.486 -0.925 -5.364 304 HD1 TRP 37 HD1 TRP 37 -4.646 1.185 -6.014 305 HE1 TRP 37 HE1 TRP 37 -5.221 2.447 -3.860 306 HE3 TRP 37 HE3 TRP 37 -0.636 -0.197 -3.155 307 HZ2 TRP 37 HZ2 TRP 37 -4.134 2.809 -1.277 308 HZ3 TRP 37 HZ3 TRP 37 -0.479 0.649 -0.855 309 HH2 TRP 37 HH2 TRP 37 -2.192 2.121 0.068 310 H CYS 38 H CYS 38 0.471 -1.059 -6.639 311 HA CYS 38 HA CYS 38 2.150 0.466 -4.980 312 HB2 CYS 38 HB2 CYS 38 2.299 -1.983 -5.180 313 HB3 CYS 38 HB3 CYS 38 2.863 -1.813 -6.838 314 HG CYS 38 HG CYS 38 4.541 -0.896 -4.000 315 H HIS 39 H HIS 39 2.273 -0.125 -8.503 316 HA HIS 39 HA HIS 39 4.687 1.117 -9.036 317 HB2 HIS 39 HB2 HIS 39 2.247 0.617 -10.685 318 HB3 HIS 39 HB3 HIS 39 3.534 1.622 -11.344 319 HD1 HIS 39 HD1 HIS 39 2.524 -1.499 -11.998 320 HD2 HIS 39 HD2 HIS 39 6.108 -0.132 -10.379 321 HE1 HIS 39 HE1 HIS 39 4.219 -3.292 -12.475 322 HE2 HIS 39 HE2 HIS 39 6.414 -2.352 -11.671 323 H THR 40 H THR 40 1.469 2.610 -8.967 324 HA THR 40 HA THR 40 2.420 5.176 -9.733 325 HB THR 40 HB THR 40 -0.123 4.456 -8.257 326 HG1 THR 40 HG1 THR 40 -0.073 4.991 -11.010 327 HG21 THR 40 HG21 THR 40 -0.995 6.541 -9.261 328 HG22 THR 40 HG22 THR 40 0.617 6.894 -9.882 329 HG23 THR 40 HG23 THR 40 0.334 6.839 -8.143 330 H GLN 41 H GLN 41 1.728 3.664 -6.598 331 HA GLN 41 HA GLN 41 2.191 6.172 -5.254 332 HB2 GLN 41 HB2 GLN 41 1.134 3.522 -4.405 333 HB3 GLN 41 HB3 GLN 41 1.625 4.723 -3.203 334 HG2 GLN 41 HG2 GLN 41 0.067 6.293 -3.954 335 HG3 GLN 41 HG3 GLN 41 -0.189 5.438 -5.471 336 HE21 GLN 41 HE21 GLN 41 -1.431 3.609 -5.499 337 HE22 GLN 41 HE22 GLN 41 -2.552 3.254 -4.241 338 H ARG 42 H ARG 42 4.136 3.481 -6.058 339 HA ARG 42 HA ARG 42 5.999 3.799 -3.906 340 HB2 ARG 42 HB2 ARG 42 7.560 2.473 -5.317 341 HB3 ARG 42 HB3 ARG 42 6.003 1.697 -5.082 342 HG2 ARG 42 HG2 ARG 42 6.380 1.313 -7.303 343 HG3 ARG 42 HG3 ARG 42 5.423 2.791 -7.371 344 HD2 ARG 42 HD2 ARG 42 7.607 4.055 -7.450 345 HD3 ARG 42 HD3 ARG 42 8.402 2.496 -7.683 346 HE ARG 42 HE ARG 42 6.359 3.566 -9.531 347 HH11 ARG 42 HH11 ARG 42 9.321 1.802 -8.918 348 HH12 ARG 42 HH12 ARG 42 9.696 1.589 -10.602 349 HH21 ARG 42 HH21 ARG 42 6.812 3.261 -11.742 350 HH22 ARG 42 HH22 ARG 42 8.259 2.416 -12.216 351 H LYS 43 H LYS 43 5.157 5.738 -6.423 352 HA LYS 43 HA LYS 43 7.727 7.101 -6.576 353 HB2 LYS 43 HB2 LYS 43 6.319 6.842 -8.609 354 HB3 LYS 43 HB3 LYS 43 5.048 7.762 -7.831 355 HG2 LYS 43 HG2 LYS 43 7.725 9.016 -8.149 356 HG3 LYS 43 HG3 LYS 43 6.663 8.877 -9.550 357 HD2 LYS 43 HD2 LYS 43 5.033 9.827 -7.494 358 HD3 LYS 43 HD3 LYS 43 6.548 10.720 -7.331 359 HE2 LYS 43 HE2 LYS 43 4.943 10.449 -9.873 360 HE3 LYS 43 HE3 LYS 43 4.935 11.854 -8.808 361 HZ1 LYS 43 HZ1 LYS 43 7.137 12.358 -9.340 362 HZ2 LYS 43 HZ2 LYS 43 6.431 11.948 -10.826 363 HZ3 LYS 43 HZ3 LYS 43 7.432 10.838 -10.025 364 H MET 44 H MET 44 4.417 7.624 -5.445 365 HA MET 44 HA MET 44 4.777 10.275 -4.526 366 HB2 MET 44 HB2 MET 44 2.746 8.340 -3.419 367 HB3 MET 44 HB3 MET 44 2.605 10.083 -3.602 368 HG2 MET 44 HG2 MET 44 2.661 8.066 -5.835 369 HG3 MET 44 HG3 MET 44 1.237 8.906 -5.225 370 HE1 MET 44 HE1 MET 44 2.723 8.655 -8.212 371 HE2 MET 44 HE2 MET 44 2.307 10.230 -8.896 372 HE3 MET 44 HE3 MET 44 1.085 9.288 -8.040 373 H ARG 45 H ARG 45 5.354 7.164 -3.100 374 HA ARG 45 HA ARG 45 5.255 7.685 -0.393 375 HB2 ARG 45 HB2 ARG 45 6.900 5.854 -0.138 376 HB3 ARG 45 HB3 ARG 45 5.630 5.445 -1.279 377 HG2 ARG 45 HG2 ARG 45 7.043 5.698 -3.127 378 HG3 ARG 45 HG3 ARG 45 8.253 6.570 -2.193 379 HD2 ARG 45 HD2 ARG 45 8.797 4.520 -0.979 380 HD3 ARG 45 HD3 ARG 45 7.565 3.646 -1.896 381 HE ARG 45 HE ARG 45 8.948 4.392 -3.919 382 HH11 ARG 45 HH11 ARG 45 10.334 3.571 -0.808 383 HH12 ARG 45 HH12 ARG 45 11.887 3.176 -1.466 384 HH21 ARG 45 HH21 ARG 45 10.996 3.869 -4.781 385 HH22 ARG 45 HH22 ARG 45 12.268 3.348 -3.714 386 H LYS 46 H LYS 46 7.997 8.166 -2.577 387 HA LYS 46 HA LYS 46 9.673 9.164 -0.452 388 HB2 LYS 46 HB2 LYS 46 10.561 7.741 -2.280 389 HB3 LYS 46 HB3 LYS 46 10.162 9.002 -3.437 390 HG2 LYS 46 HG2 LYS 46 11.973 9.611 -1.143 391 HG3 LYS 46 HG3 LYS 46 12.589 8.758 -2.557 392 HD2 LYS 46 HD2 LYS 46 12.027 10.569 -3.994 393 HD3 LYS 46 HD3 LYS 46 11.106 11.374 -2.722 394 HE2 LYS 46 HE2 LYS 46 13.252 12.449 -3.017 395 HE3 LYS 46 HE3 LYS 46 13.165 11.674 -1.438 396 HZ1 LYS 46 HZ1 LYS 46 15.297 11.240 -2.439 397 HZ2 LYS 46 HZ2 LYS 46 14.570 10.628 -3.841 398 HZ3 LYS 46 HZ3 LYS 46 14.422 9.789 -2.375 399 H GLN 47 H GLN 47 8.086 10.395 -3.334 400 HA GLN 47 HA GLN 47 8.963 13.040 -3.240 401 HB2 GLN 47 HB2 GLN 47 6.318 12.015 -4.272 402 HB3 GLN 47 HB3 GLN 47 7.086 13.526 -4.722 403 HG2 GLN 47 HG2 GLN 47 8.175 10.774 -5.274 404 HG3 GLN 47 HG3 GLN 47 7.331 11.792 -6.433 405 HE21 GLN 47 HE21 GLN 47 9.093 11.720 -7.814 406 HE22 GLN 47 HE22 GLN 47 10.523 12.637 -7.524 407 H GLY 48 H GLY 48 6.749 11.407 -1.206 408 HA2 GLY 48 HA2 GLY 48 5.765 12.186 0.743 409 HA3 GLY 48 HA3 GLY 48 6.316 13.808 0.337 410 H LYS 49 H LYS 49 4.410 11.664 -1.695 411 HA LYS 49 HA LYS 49 2.303 13.725 -1.728 412 HB2 LYS 49 HB2 LYS 49 2.925 11.627 -3.815 413 HB3 LYS 49 HB3 LYS 49 1.713 12.891 -3.948 414 HG2 LYS 49 HG2 LYS 49 4.613 13.547 -3.583 415 HG3 LYS 49 HG3 LYS 49 3.944 13.191 -5.172 416 HD2 LYS 49 HD2 LYS 49 3.928 15.557 -4.920 417 HD3 LYS 49 HD3 LYS 49 2.259 15.014 -4.762 418 HE2 LYS 49 HE2 LYS 49 2.398 15.197 -2.349 419 HE3 LYS 49 HE3 LYS 49 4.104 15.632 -2.457 420 HZ1 LYS 49 HZ1 LYS 49 3.518 17.652 -3.583 421 HZ2 LYS 49 HZ2 LYS 49 2.640 17.555 -2.136 422 HZ3 LYS 49 HZ3 LYS 49 1.876 17.222 -3.615 423 H LEU 50 H LEU 50 3.061 10.664 -0.657 424 HA LEU 50 HA LEU 50 0.519 9.406 -0.998 425 HB2 LEU 50 HB2 LEU 50 3.067 8.785 0.392 426 HB3 LEU 50 HB3 LEU 50 1.627 7.963 0.954 427 HG LEU 50 HG LEU 50 2.831 7.845 -1.805 428 HD11 LEU 50 HD11 LEU 50 2.417 5.759 0.331 429 HD12 LEU 50 HD12 LEU 50 3.957 6.477 -0.140 430 HD13 LEU 50 HD13 LEU 50 3.071 5.463 -1.279 431 HD21 LEU 50 HD21 LEU 50 1.034 6.295 -2.353 432 HD22 LEU 50 HD22 LEU 50 0.401 7.895 -1.967 433 HD23 LEU 50 HD23 LEU 50 0.290 6.591 -0.784 434 HA PRO 51 HA PRO 51 -1.511 11.080 2.614 435 HB2 PRO 51 HB2 PRO 51 -3.201 8.695 2.563 436 HB3 PRO 51 HB3 PRO 51 -3.647 10.381 2.294 437 HG2 PRO 51 HG2 PRO 51 -3.625 8.541 0.313 438 HG3 PRO 51 HG3 PRO 51 -3.278 10.256 0.033 439 HD2 PRO 51 HD2 PRO 51 -1.383 7.954 0.262 440 HD3 PRO 51 HD3 PRO 51 -1.334 9.358 -0.816 441 H ASN 52 H ASN 52 -1.225 10.797 4.716 442 HA ASN 52 HA ASN 52 0.602 8.863 5.628 443 HB2 ASN 52 HB2 ASN 52 -1.070 10.915 7.019 444 HB3 ASN 52 HB3 ASN 52 -0.198 9.706 7.959 445 HD21 ASN 52 HD21 ASN 52 0.307 12.421 8.143 446 HD22 ASN 52 HD22 ASN 52 1.898 12.728 7.530 447 H ASP 53 H ASP 53 -2.821 8.795 5.383 448 HA ASP 53 HA ASP 53 -3.371 6.880 7.386 449 HB2 ASP 53 HB2 ASP 53 -4.835 7.265 4.761 450 HB3 ASP 53 HB3 ASP 53 -5.459 6.454 6.191 451 H ARG 54 H ARG 54 -2.834 6.554 3.904 452 HA ARG 54 HA ARG 54 -2.932 3.748 3.823 453 HB2 ARG 54 HB2 ARG 54 -1.515 5.658 1.959 454 HB3 ARG 54 HB3 ARG 54 -1.823 3.960 1.625 455 HG2 ARG 54 HG2 ARG 54 -4.235 4.397 1.733 456 HG3 ARG 54 HG3 ARG 54 -3.896 6.107 2.010 457 HD2 ARG 54 HD2 ARG 54 -2.685 6.177 -0.143 458 HD3 ARG 54 HD3 ARG 54 -3.141 4.497 -0.423 459 HE ARG 54 HE ARG 54 -5.533 5.633 -0.032 460 HH11 ARG 54 HH11 ARG 54 -2.839 6.532 -2.089 461 HH12 ARG 54 HH12 ARG 54 -3.830 7.418 -3.205 462 HH21 ARG 54 HH21 ARG 54 -6.829 6.762 -1.512 463 HH22 ARG 54 HH22 ARG 54 -6.104 7.555 -2.878 464 H ARG 55 H ARG 55 -0.175 5.987 4.052 465 HA ARG 55 HA ARG 55 1.778 3.954 3.845 466 HB2 ARG 55 HB2 ARG 55 3.392 5.630 4.643 467 HB3 ARG 55 HB3 ARG 55 2.363 6.261 3.371 468 HG2 ARG 55 HG2 ARG 55 2.312 8.035 4.753 469 HG3 ARG 55 HG3 ARG 55 0.976 7.126 5.463 470 HD2 ARG 55 HD2 ARG 55 2.455 6.211 7.151 471 HD3 ARG 55 HD3 ARG 55 3.838 7.004 6.405 472 HE ARG 55 HE ARG 55 2.286 9.093 6.966 473 HH11 ARG 55 HH11 ARG 55 3.202 6.316 8.915 474 HH12 ARG 55 HH12 ARG 55 3.155 7.202 10.411 475 HH21 ARG 55 HH21 ARG 55 2.246 10.250 8.954 476 HH22 ARG 55 HH22 ARG 55 2.622 9.420 10.434 477 H LEU 56 H LEU 56 -0.140 5.075 6.481 478 HA LEU 56 HA LEU 56 1.513 3.836 8.496 479 HB2 LEU 56 HB2 LEU 56 0.218 5.801 9.085 480 HB3 LEU 56 HB3 LEU 56 -1.267 5.006 8.607 481 HG LEU 56 HG LEU 56 -1.002 3.405 10.460 482 HD11 LEU 56 HD11 LEU 56 1.371 5.111 11.210 483 HD12 LEU 56 HD12 LEU 56 1.435 3.446 10.632 484 HD13 LEU 56 HD13 LEU 56 0.680 3.811 12.183 485 HD21 LEU 56 HD21 LEU 56 -0.889 6.308 11.265 486 HD22 LEU 56 HD22 LEU 56 -1.487 4.988 12.269 487 HD23 LEU 56 HD23 LEU 56 -2.331 5.416 10.780 488 H LEU 57 H LEU 57 -1.421 3.099 6.687 489 HA LEU 57 HA LEU 57 -2.099 0.734 8.087 490 HB2 LEU 57 HB2 LEU 57 -2.688 1.409 5.203 491 HB3 LEU 57 HB3 LEU 57 -3.505 0.198 6.169 492 HG LEU 57 HG LEU 57 -3.646 3.189 6.486 493 HD11 LEU 57 HD11 LEU 57 -5.716 1.097 5.844 494 HD12 LEU 57 HD12 LEU 57 -5.052 2.297 4.733 495 HD13 LEU 57 HD13 LEU 57 -6.042 2.812 6.102 496 HD21 LEU 57 HD21 LEU 57 -3.511 2.152 8.689 497 HD22 LEU 57 HD22 LEU 57 -4.836 1.067 8.262 498 HD23 LEU 57 HD23 LEU 57 -5.119 2.805 8.378 499 H LEU 58 H LEU 58 -0.177 1.335 5.176 500 HA LEU 58 HA LEU 58 0.373 -1.367 4.572 501 HB2 LEU 58 HB2 LEU 58 1.970 1.121 3.955 502 HB3 LEU 58 HB3 LEU 58 2.259 -0.454 3.239 503 HG LEU 58 HG LEU 58 -0.245 1.200 2.905 504 HD11 LEU 58 HD11 LEU 58 1.637 2.140 1.703 505 HD12 LEU 58 HD12 LEU 58 0.496 1.408 0.574 506 HD13 LEU 58 HD13 LEU 58 1.992 0.570 0.986 507 HD21 LEU 58 HD21 LEU 58 -0.891 -0.493 1.256 508 HD22 LEU 58 HD22 LEU 58 -0.744 -1.179 2.875 509 HD23 LEU 58 HD23 LEU 58 0.529 -1.447 1.684 510 H ASP 59 H ASP 59 2.139 1.034 6.474 511 HA ASP 59 HA ASP 59 4.313 -0.676 7.114 512 HB2 ASP 59 HB2 ASP 59 4.393 1.811 7.236 513 HB3 ASP 59 HB3 ASP 59 3.328 1.747 8.635 514 H LYS 60 H LYS 60 1.118 -0.366 8.295 515 HA LYS 60 HA LYS 60 1.563 -1.632 10.827 516 HB2 LYS 60 HB2 LYS 60 -0.248 -0.094 10.693 517 HB3 LYS 60 HB3 LYS 60 -0.895 -0.863 9.255 518 HG2 LYS 60 HG2 LYS 60 -0.762 -2.451 11.763 519 HG3 LYS 60 HG3 LYS 60 -1.996 -1.198 11.617 520 HD2 LYS 60 HD2 LYS 60 -1.550 -3.426 9.632 521 HD3 LYS 60 HD3 LYS 60 -2.773 -3.435 10.897 522 HE2 LYS 60 HE2 LYS 60 -2.590 -1.332 8.748 523 HE3 LYS 60 HE3 LYS 60 -3.607 -2.764 8.631 524 HZ1 LYS 60 HZ1 LYS 60 -4.947 -0.984 9.395 525 HZ2 LYS 60 HZ2 LYS 60 -3.837 -0.553 10.601 526 HZ3 LYS 60 HZ3 LYS 60 -4.700 -2.008 10.724 527 H ILE 61 H ILE 61 0.441 -2.638 7.616 528 HA ILE 61 HA ILE 61 -0.113 -5.323 8.520 529 HB ILE 61 HB ILE 61 -0.471 -5.839 6.100 530 HG12 ILE 61 HG12 ILE 61 0.029 -2.871 5.773 531 HG13 ILE 61 HG13 ILE 61 1.029 -4.169 5.129 532 HG21 ILE 61 HG21 ILE 61 -2.017 -3.492 7.187 533 HG22 ILE 61 HG22 ILE 61 -2.304 -5.187 7.575 534 HG23 ILE 61 HG23 ILE 61 -2.564 -4.605 5.932 535 HD11 ILE 61 HD11 ILE 61 -0.389 -3.178 3.415 536 HD12 ILE 61 HD12 ILE 61 -1.823 -3.604 4.350 537 HD13 ILE 61 HD13 ILE 61 -0.795 -4.873 3.682 538 H GLY 62 H GLY 62 2.671 -3.661 7.637 539 HA2 GLY 62 HA2 GLY 62 4.797 -4.671 8.028 540 HA3 GLY 62 HA3 GLY 62 4.110 -6.220 7.568 541 H PHE 63 H PHE 63 3.617 -3.304 5.704 542 HA PHE 63 HA PHE 63 4.859 -4.561 3.410 543 HB2 PHE 63 HB2 PHE 63 2.726 -3.337 3.162 544 HB3 PHE 63 HB3 PHE 63 3.510 -1.862 3.706 545 HD1 PHE 63 HD1 PHE 63 3.442 -4.369 0.992 546 HD2 PHE 63 HD2 PHE 63 4.676 -0.484 2.208 547 HE1 PHE 63 HE1 PHE 63 4.018 -3.828 -1.337 548 HE2 PHE 63 HE2 PHE 63 5.261 0.064 -0.118 549 HZ PHE 63 HZ PHE 63 4.930 -1.608 -1.895 550 H VAL 64 H VAL 64 6.887 -4.364 2.942 551 HA VAL 64 HA VAL 64 8.571 -2.454 4.237 552 HB VAL 64 HB VAL 64 9.326 -4.744 3.737 553 HG11 VAL 64 HG11 VAL 64 8.248 -5.100 1.598 554 HG12 VAL 64 HG12 VAL 64 9.986 -5.369 1.458 555 HG13 VAL 64 HG13 VAL 64 9.272 -3.875 0.851 556 HG21 VAL 64 HG21 VAL 64 10.922 -2.555 2.413 557 HG22 VAL 64 HG22 VAL 64 11.556 -4.142 2.846 558 HG23 VAL 64 HG23 VAL 64 10.993 -3.042 4.105 559 H TRP 65 H TRP 65 9.334 -0.569 3.453 560 HA TRP 65 HA TRP 65 7.962 0.438 1.096 561 HB2 TRP 65 HB2 TRP 65 9.498 1.762 3.324 562 HB3 TRP 65 HB3 TRP 65 8.961 2.648 1.902 563 HD1 TRP 65 HD1 TRP 65 7.728 1.249 5.186 564 HE1 TRP 65 HE1 TRP 65 5.267 1.929 5.512 565 HE3 TRP 65 HE3 TRP 65 6.774 3.083 0.521 566 HZ2 TRP 65 HZ2 TRP 65 3.195 3.104 3.986 567 HZ3 TRP 65 HZ3 TRP 65 4.535 3.966 0.028 568 HH2 TRP 65 HH2 TRP 65 2.783 3.971 1.725 569 H SER 66 H SER 66 11.075 -0.700 1.924 570 HA SER 66 HA SER 66 13.118 -0.648 0.929 571 HB2 SER 66 HB2 SER 66 11.525 0.269 -1.481 572 HB3 SER 66 HB3 SER 66 13.219 -0.221 -1.523 573 HG SER 66 HG SER 66 12.608 -2.290 -0.893 574 H LEU 67 H LEU 67 11.933 1.581 2.316 575 HA LEU 67 HA LEU 67 13.771 3.693 1.474 576 HB2 LEU 67 HB2 LEU 67 11.482 4.222 0.618 577 HB3 LEU 67 HB3 LEU 67 10.883 4.146 2.262 578 HG LEU 67 HG LEU 67 12.337 6.065 2.853 579 HD11 LEU 67 HD11 LEU 67 14.071 5.757 1.181 580 HD12 LEU 67 HD12 LEU 67 13.358 7.366 1.045 581 HD13 LEU 67 HD13 LEU 67 12.912 6.104 -0.104 582 HD21 LEU 67 HD21 LEU 67 10.476 6.535 0.530 583 HD22 LEU 67 HD22 LEU 67 11.028 7.756 1.676 584 HD23 LEU 67 HD23 LEU 67 10.009 6.426 2.226 585 H GLU 68 H GLU 68 14.212 5.185 3.315 586 HA GLU 68 HA GLU 68 14.833 3.731 5.620 587 HB2 GLU 68 HB2 GLU 68 14.712 6.714 5.170 588 HB3 GLU 68 HB3 GLU 68 15.361 5.970 6.624 589 HG2 GLU 68 HG2 GLU 68 17.048 4.822 5.272 590 HG3 GLU 68 HG3 GLU 68 16.404 5.599 3.826 591 H HIS 69 H HIS 69 13.189 2.784 6.684 592 HA HIS 69 HA HIS 69 10.836 4.236 7.490 593 HB2 HIS 69 HB2 HIS 69 10.767 1.795 7.105 594 HB3 HIS 69 HB3 HIS 69 11.904 1.555 8.424 595 HD1 HIS 69 HD1 HIS 69 10.917 1.170 10.669 596 HD2 HIS 69 HD2 HIS 69 8.205 2.894 8.029 597 HE1 HIS 69 HE1 HIS 69 8.711 1.202 11.884 598 HE2 HIS 69 HE2 HIS 69 7.045 1.986 10.156 599 H HIS 70 H HIS 70 11.870 6.031 8.473 600 HA HIS 70 HA HIS 70 12.902 5.457 11.169 601 HB2 HIS 70 HB2 HIS 70 14.725 5.994 9.495 602 HB3 HIS 70 HB3 HIS 70 14.015 7.595 9.343 603 HD1 HIS 70 HD1 HIS 70 16.902 7.231 10.305 604 HD2 HIS 70 HD2 HIS 70 13.638 7.534 12.862 605 HE1 HIS 70 HE1 HIS 70 17.824 8.084 12.486 606 HE2 HIS 70 HE2 HIS 70 15.876 7.988 14.081 607 H HIS 71 H HIS 71 12.047 8.226 9.098 608 HA HIS 71 HA HIS 71 10.812 10.097 9.442 609 HB2 HIS 71 HB2 HIS 71 9.085 8.380 10.265 610 HB3 HIS 71 HB3 HIS 71 9.601 8.804 11.892 611 HD1 HIS 71 HD1 HIS 71 8.514 10.817 12.932 612 HD2 HIS 71 HD2 HIS 71 7.908 10.605 8.819 613 HE1 HIS 71 HE1 HIS 71 6.873 12.638 12.391 614 HE2 HIS 71 HE2 HIS 71 6.700 12.637 9.880 615 H HIS 72 H HIS 72 10.929 12.052 10.704 616 HA HIS 72 HA HIS 72 13.277 12.111 12.344 617 HB2 HIS 72 HB2 HIS 72 11.343 14.205 11.416 618 HB3 HIS 72 HB3 HIS 72 12.502 14.577 12.690 619 HD1 HIS 72 HD1 HIS 72 14.618 15.541 11.852 620 HD2 HIS 72 HD2 HIS 72 12.831 13.060 9.026 621 HE1 HIS 72 HE1 HIS 72 16.110 15.624 9.832 622 HE2 HIS 72 HE2 HIS 72 14.925 14.256 8.079 623 H HIS 73 H HIS 73 12.617 10.634 13.964 624 HA HIS 73 HA HIS 73 10.806 11.724 15.995 625 HB2 HIS 73 HB2 HIS 73 10.768 9.263 15.234 626 HB3 HIS 73 HB3 HIS 73 12.280 9.088 16.115 627 HD1 HIS 73 HD1 HIS 73 12.138 8.780 18.622 628 HD2 HIS 73 HD2 HIS 73 8.499 9.837 16.892 629 HE1 HIS 73 HE1 HIS 73 10.408 8.506 20.437 630 HE2 HIS 73 HE2 HIS 73 8.195 8.994 19.318 631 H HIS 74 H HIS 74 14.036 11.549 15.110 632 HA HIS 74 HA HIS 74 14.903 12.943 17.466 633 HB2 HIS 74 HB2 HIS 74 15.243 10.676 18.256 634 HB3 HIS 74 HB3 HIS 74 16.050 10.230 16.756 635 HD1 HIS 74 HD1 HIS 74 16.633 12.981 19.347 636 HD2 HIS 74 HD2 HIS 74 18.698 10.077 17.203 637 HE1 HIS 74 HE1 HIS 74 19.037 13.208 20.038 638 HE2 HIS 74 HE2 HIS 74 20.217 11.293 18.908 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -8.457 6.770 -16.367 2 H2 MET 1 H2 MET 1 -9.478 6.481 -17.692 3 H3 MET 1 H3 MET 1 -8.589 5.211 -17.014 4 HA MET 1 HA MET 1 -10.947 5.177 -16.386 5 HB2 MET 1 HB2 MET 1 -8.976 5.673 -14.143 6 HB3 MET 1 HB3 MET 1 -10.541 4.903 -13.956 7 HG2 MET 1 HG2 MET 1 -8.904 3.197 -13.975 8 HG3 MET 1 HG3 MET 1 -9.768 3.112 -15.507 9 HE1 MET 1 HE1 MET 1 -7.003 1.650 -14.948 10 HE2 MET 1 HE2 MET 1 -6.111 1.993 -16.433 11 HE3 MET 1 HE3 MET 1 -7.819 1.562 -16.509 12 H ASN 2 H ASN 2 -12.493 6.094 -14.769 13 HA ASN 2 HA ASN 2 -12.243 9.032 -14.660 14 HB2 ASN 2 HB2 ASN 2 -14.752 7.334 -14.568 15 HB3 ASN 2 HB3 ASN 2 -14.708 9.088 -14.444 16 HD21 ASN 2 HD21 ASN 2 -16.094 7.483 -16.371 17 HD22 ASN 2 HD22 ASN 2 -15.465 7.913 -17.928 18 H GLN 3 H GLN 3 -11.379 9.519 -12.741 19 HA GLN 3 HA GLN 3 -11.854 7.969 -10.388 20 HB2 GLN 3 HB2 GLN 3 -10.436 10.579 -10.885 21 HB3 GLN 3 HB3 GLN 3 -10.654 9.937 -9.262 22 HG2 GLN 3 HG2 GLN 3 -9.459 7.899 -9.924 23 HG3 GLN 3 HG3 GLN 3 -9.205 8.586 -11.529 24 HE21 GLN 3 HE21 GLN 3 -6.967 8.477 -11.300 25 HE22 GLN 3 HE22 GLN 3 -6.093 9.574 -10.274 26 H ASN 4 H ASN 4 -13.621 8.021 -9.249 27 HA ASN 4 HA ASN 4 -15.034 10.583 -8.880 28 HB2 ASN 4 HB2 ASN 4 -17.169 9.298 -8.831 29 HB3 ASN 4 HB3 ASN 4 -16.374 9.224 -10.399 30 HD21 ASN 4 HD21 ASN 4 -15.421 7.276 -11.060 31 HD22 ASN 4 HD22 ASN 4 -15.819 5.769 -10.316 32 H LEU 5 H LEU 5 -16.942 9.444 -7.028 33 HA LEU 5 HA LEU 5 -15.163 9.059 -4.754 34 HB2 LEU 5 HB2 LEU 5 -17.335 10.554 -4.884 35 HB3 LEU 5 HB3 LEU 5 -18.148 9.045 -4.522 36 HG LEU 5 HG LEU 5 -16.000 10.291 -2.803 37 HD11 LEU 5 HD11 LEU 5 -17.992 11.668 -2.827 38 HD12 LEU 5 HD12 LEU 5 -17.825 10.848 -1.276 39 HD13 LEU 5 HD13 LEU 5 -18.990 10.262 -2.460 40 HD21 LEU 5 HD21 LEU 5 -16.683 8.678 -1.119 41 HD22 LEU 5 HD22 LEU 5 -16.152 7.847 -2.581 42 HD23 LEU 5 HD23 LEU 5 -17.873 7.995 -2.225 43 H GLN 6 H GLN 6 -14.443 6.973 -5.591 44 HA GLN 6 HA GLN 6 -16.371 4.852 -4.938 45 HB2 GLN 6 HB2 GLN 6 -15.302 3.369 -6.479 46 HB3 GLN 6 HB3 GLN 6 -15.638 4.864 -7.330 47 HG2 GLN 6 HG2 GLN 6 -12.946 4.109 -6.207 48 HG3 GLN 6 HG3 GLN 6 -13.444 3.849 -7.875 49 HE21 GLN 6 HE21 GLN 6 -12.420 6.135 -5.513 50 HE22 GLN 6 HE22 GLN 6 -12.219 7.479 -6.585 51 H GLY 7 H GLY 7 -15.901 3.476 -3.379 52 HA2 GLY 7 HA2 GLY 7 -13.565 4.041 -1.755 53 HA3 GLY 7 HA3 GLY 7 -14.893 2.968 -1.344 54 H GLU 8 H GLU 8 -12.568 3.046 -4.054 55 HA GLU 8 HA GLU 8 -12.324 0.203 -4.017 56 HB2 GLU 8 HB2 GLU 8 -10.816 0.426 -5.828 57 HB3 GLU 8 HB3 GLU 8 -12.025 1.683 -6.047 58 HG2 GLU 8 HG2 GLU 8 -10.447 3.302 -5.038 59 HG3 GLU 8 HG3 GLU 8 -9.237 2.026 -4.984 60 H TRP 9 H TRP 9 -10.869 2.711 -2.255 61 HA TRP 9 HA TRP 9 -8.388 1.639 -1.566 62 HB2 TRP 9 HB2 TRP 9 -8.893 3.849 -0.851 63 HB3 TRP 9 HB3 TRP 9 -10.366 3.341 -0.047 64 HD1 TRP 9 HD1 TRP 9 -9.988 3.866 2.423 65 HE1 TRP 9 HE1 TRP 9 -8.170 3.351 4.173 66 HE3 TRP 9 HE3 TRP 9 -6.509 1.664 -0.630 67 HZ2 TRP 9 HZ2 TRP 9 -5.623 2.165 4.246 68 HZ3 TRP 9 HZ3 TRP 9 -4.413 0.852 0.371 69 HH2 TRP 9 HH2 TRP 9 -3.980 1.104 2.763 70 H MET 10 H MET 10 -11.580 1.112 -0.129 71 HA MET 10 HA MET 10 -10.713 -0.771 1.794 72 HB2 MET 10 HB2 MET 10 -13.403 -0.217 0.565 73 HB3 MET 10 HB3 MET 10 -13.170 -1.445 1.794 74 HG2 MET 10 HG2 MET 10 -12.476 1.458 2.162 75 HG3 MET 10 HG3 MET 10 -14.012 0.739 2.634 76 HE1 MET 10 HE1 MET 10 -10.140 -0.293 3.022 77 HE2 MET 10 HE2 MET 10 -9.946 0.150 4.718 78 HE3 MET 10 HE3 MET 10 -10.338 1.386 3.521 79 H LYS 11 H LYS 11 -11.348 -0.988 -1.573 80 HA LYS 11 HA LYS 11 -11.685 -3.846 -1.634 81 HB2 LYS 11 HB2 LYS 11 -12.677 -2.218 -3.307 82 HB3 LYS 11 HB3 LYS 11 -11.056 -1.997 -3.944 83 HG2 LYS 11 HG2 LYS 11 -12.297 -4.717 -3.784 84 HG3 LYS 11 HG3 LYS 11 -12.648 -3.631 -5.122 85 HD2 LYS 11 HD2 LYS 11 -9.887 -4.545 -4.316 86 HD3 LYS 11 HD3 LYS 11 -10.843 -5.246 -5.622 87 HE2 LYS 11 HE2 LYS 11 -10.919 -2.952 -6.648 88 HE3 LYS 11 HE3 LYS 11 -9.739 -2.450 -5.438 89 HZ1 LYS 11 HZ1 LYS 11 -8.239 -4.192 -6.285 90 HZ2 LYS 11 HZ2 LYS 11 -8.631 -3.044 -7.475 91 HZ3 LYS 11 HZ3 LYS 11 -9.372 -4.569 -7.489 92 H ASN 12 H ASN 12 -9.097 -1.554 -2.593 93 HA ASN 12 HA ASN 12 -7.356 -3.729 -3.288 94 HB2 ASN 12 HB2 ASN 12 -5.682 -1.950 -3.721 95 HB3 ASN 12 HB3 ASN 12 -7.184 -1.741 -4.600 96 HD21 ASN 12 HD21 ASN 12 -7.051 0.409 -4.919 97 HD22 ASN 12 HD22 ASN 12 -7.101 1.575 -3.638 98 H TYR 13 H TYR 13 -7.838 -1.809 -0.414 99 HA TYR 13 HA TYR 13 -5.368 -2.311 0.827 100 HB2 TYR 13 HB2 TYR 13 -6.905 -0.681 1.769 101 HB3 TYR 13 HB3 TYR 13 -8.090 -1.941 2.103 102 HD1 TYR 13 HD2 TYR 13 -4.448 -1.385 2.797 103 HD2 TYR 13 HD1 TYR 13 -8.253 -2.517 4.337 104 HE1 TYR 13 HE2 TYR 13 -3.437 -1.737 5.011 105 HE2 TYR 13 HE1 TYR 13 -7.253 -2.874 6.556 106 HH TYR 13 HH TYR 13 -4.067 -1.833 7.331 107 H GLU 14 H GLU 14 -8.436 -4.123 1.132 108 HA GLU 14 HA GLU 14 -7.258 -6.239 2.625 109 HB2 GLU 14 HB2 GLU 14 -9.338 -7.494 2.011 110 HB3 GLU 14 HB3 GLU 14 -9.629 -5.933 2.767 111 HG2 GLU 14 HG2 GLU 14 -10.189 -4.942 0.676 112 HG3 GLU 14 HG3 GLU 14 -9.683 -6.384 -0.202 113 H GLU 15 H GLU 15 -7.464 -5.470 -0.715 114 HA GLU 15 HA GLU 15 -6.911 -8.029 -1.803 115 HB2 GLU 15 HB2 GLU 15 -7.840 -5.914 -2.952 116 HB3 GLU 15 HB3 GLU 15 -6.167 -5.394 -3.060 117 HG2 GLU 15 HG2 GLU 15 -5.626 -6.987 -4.620 118 HG3 GLU 15 HG3 GLU 15 -6.922 -8.074 -4.117 119 H LEU 16 H LEU 16 -4.951 -5.428 -0.506 120 HA LEU 16 HA LEU 16 -2.465 -6.699 -1.331 121 HB2 LEU 16 HB2 LEU 16 -2.704 -4.199 -1.291 122 HB3 LEU 16 HB3 LEU 16 -2.895 -4.293 0.447 123 HG LEU 16 HG LEU 16 -0.625 -5.308 0.605 124 HD11 LEU 16 HD11 LEU 16 -0.414 -6.226 -1.610 125 HD12 LEU 16 HD12 LEU 16 0.879 -5.057 -1.337 126 HD13 LEU 16 HD13 LEU 16 -0.513 -4.617 -2.327 127 HD21 LEU 16 HD21 LEU 16 -0.994 -2.929 1.006 128 HD22 LEU 16 HD22 LEU 16 -0.737 -2.601 -0.709 129 HD23 LEU 16 HD23 LEU 16 0.584 -3.230 0.276 130 H LYS 17 H LYS 17 -4.394 -6.081 1.510 131 HA LYS 17 HA LYS 17 -2.712 -6.830 3.556 132 HB2 LYS 17 HB2 LYS 17 -5.006 -5.827 3.718 133 HB3 LYS 17 HB3 LYS 17 -5.669 -7.421 3.408 134 HG2 LYS 17 HG2 LYS 17 -4.579 -8.257 5.424 135 HG3 LYS 17 HG3 LYS 17 -3.954 -6.640 5.742 136 HD2 LYS 17 HD2 LYS 17 -6.333 -5.832 5.747 137 HD3 LYS 17 HD3 LYS 17 -6.832 -7.523 5.693 138 HE2 LYS 17 HE2 LYS 17 -5.157 -6.229 7.840 139 HE3 LYS 17 HE3 LYS 17 -6.858 -6.663 7.977 140 HZ1 LYS 17 HZ1 LYS 17 -6.270 -8.983 7.722 141 HZ2 LYS 17 HZ2 LYS 17 -5.407 -8.302 9.013 142 HZ3 LYS 17 HZ3 LYS 17 -4.629 -8.582 7.535 143 H SER 18 H SER 18 -4.996 -8.884 1.793 144 HA SER 18 HA SER 18 -4.403 -11.286 3.107 145 HB2 SER 18 HB2 SER 18 -5.380 -12.324 0.971 146 HB3 SER 18 HB3 SER 18 -6.413 -11.204 1.859 147 HG SER 18 HG SER 18 -6.258 -9.771 0.290 148 H PHE 19 H PHE 19 -2.847 -9.692 0.397 149 HA PHE 19 HA PHE 19 -1.313 -11.984 -0.391 150 HB2 PHE 19 HB2 PHE 19 -1.983 -9.931 -1.818 151 HB3 PHE 19 HB3 PHE 19 -0.602 -9.140 -1.066 152 HD1 PHE 19 HD1 PHE 19 1.683 -10.003 -1.468 153 HD2 PHE 19 HD2 PHE 19 -1.711 -11.555 -3.511 154 HE1 PHE 19 HE1 PHE 19 3.163 -11.015 -3.150 155 HE2 PHE 19 HE2 PHE 19 -0.236 -12.575 -5.197 156 HZ PHE 19 HZ PHE 19 2.207 -12.305 -5.017 157 H VAL 20 H VAL 20 -0.571 -8.960 1.330 158 HA VAL 20 HA VAL 20 2.128 -9.561 1.879 159 HB VAL 20 HB VAL 20 0.195 -7.712 3.282 160 HG11 VAL 20 HG11 VAL 20 2.148 -6.713 4.384 161 HG12 VAL 20 HG12 VAL 20 3.176 -7.972 3.701 162 HG13 VAL 20 HG13 VAL 20 1.927 -8.391 4.874 163 HG21 VAL 20 HG21 VAL 20 1.499 -5.974 2.137 164 HG22 VAL 20 HG22 VAL 20 0.753 -7.097 0.997 165 HG23 VAL 20 HG23 VAL 20 2.472 -7.229 1.372 166 H ARG 21 H ARG 21 -0.849 -10.268 3.586 167 HA ARG 21 HA ARG 21 0.099 -11.165 6.026 168 HB2 ARG 21 HB2 ARG 21 -2.292 -10.921 5.363 169 HB3 ARG 21 HB3 ARG 21 -2.143 -12.388 4.408 170 HG2 ARG 21 HG2 ARG 21 -1.536 -13.589 6.528 171 HG3 ARG 21 HG3 ARG 21 -1.970 -12.112 7.398 172 HD2 ARG 21 HD2 ARG 21 -4.194 -12.247 6.179 173 HD3 ARG 21 HD3 ARG 21 -3.729 -13.883 5.721 174 HE ARG 21 HE ARG 21 -3.743 -13.158 8.566 175 HH11 ARG 21 HH11 ARG 21 -5.072 -15.018 5.900 176 HH12 ARG 21 HH12 ARG 21 -6.084 -15.995 6.923 177 HH21 ARG 21 HH21 ARG 21 -5.083 -14.432 9.905 178 HH22 ARG 21 HH22 ARG 21 -6.062 -15.686 9.205 179 H LYS 22 H LYS 22 0.294 -12.652 2.904 180 HA LYS 22 HA LYS 22 0.904 -15.269 4.023 181 HB2 LYS 22 HB2 LYS 22 -0.656 -15.034 2.092 182 HB3 LYS 22 HB3 LYS 22 0.696 -14.464 1.122 183 HG2 LYS 22 HG2 LYS 22 1.848 -16.620 1.563 184 HG3 LYS 22 HG3 LYS 22 0.388 -17.181 2.379 185 HD2 LYS 22 HD2 LYS 22 -0.887 -16.834 0.305 186 HD3 LYS 22 HD3 LYS 22 0.595 -16.316 -0.504 187 HE2 LYS 22 HE2 LYS 22 1.584 -18.541 0.065 188 HE3 LYS 22 HE3 LYS 22 -0.002 -19.034 0.652 189 HZ1 LYS 22 HZ1 LYS 22 0.785 -18.349 -2.115 190 HZ2 LYS 22 HZ2 LYS 22 -0.837 -18.425 -1.634 191 HZ3 LYS 22 HZ3 LYS 22 0.138 -19.807 -1.536 192 H TYR 23 H TYR 23 2.456 -12.963 1.739 193 HA TYR 23 HA TYR 23 4.895 -14.603 1.968 194 HB2 TYR 23 HB2 TYR 23 4.180 -12.515 -0.103 195 HB3 TYR 23 HB3 TYR 23 5.637 -13.494 -0.097 196 HD1 TYR 23 HD1 TYR 23 5.232 -16.093 -0.138 197 HD2 TYR 23 HD2 TYR 23 2.384 -13.187 -1.375 198 HE1 TYR 23 HE1 TYR 23 4.111 -17.788 -1.521 199 HE2 TYR 23 HE2 TYR 23 1.247 -14.876 -2.752 200 HH TYR 23 HH TYR 23 1.849 -17.031 -3.889 201 H ARG 24 H ARG 24 3.552 -11.529 2.672 202 HA ARG 24 HA ARG 24 4.331 -9.491 3.200 203 HB2 ARG 24 HB2 ARG 24 6.398 -11.253 4.393 204 HB3 ARG 24 HB3 ARG 24 6.814 -9.552 4.206 205 HG2 ARG 24 HG2 ARG 24 5.894 -9.661 6.333 206 HG3 ARG 24 HG3 ARG 24 4.561 -9.084 5.330 207 HD2 ARG 24 HD2 ARG 24 3.442 -10.697 6.422 208 HD3 ARG 24 HD3 ARG 24 4.123 -11.697 5.140 209 HE ARG 24 HE ARG 24 6.015 -11.761 7.108 210 HH11 ARG 24 HH11 ARG 24 2.619 -12.590 6.922 211 HH12 ARG 24 HH12 ARG 24 2.690 -13.695 8.252 212 HH21 ARG 24 HH21 ARG 24 6.123 -13.217 8.830 213 HH22 ARG 24 HH22 ARG 24 4.691 -14.065 9.344 214 H ARG 25 H ARG 25 4.493 -8.353 1.489 215 HA ARG 25 HA ARG 25 5.446 -7.088 -0.160 216 HB2 ARG 25 HB2 ARG 25 7.879 -8.496 0.806 217 HB3 ARG 25 HB3 ARG 25 7.933 -7.797 -0.800 218 HG2 ARG 25 HG2 ARG 25 7.052 -6.166 1.542 219 HG3 ARG 25 HG3 ARG 25 8.764 -6.409 1.193 220 HD2 ARG 25 HD2 ARG 25 8.345 -5.563 -1.112 221 HD3 ARG 25 HD3 ARG 25 6.692 -5.189 -0.626 222 HE ARG 25 HE ARG 25 7.850 -3.762 1.157 223 HH11 ARG 25 HH11 ARG 25 9.152 -4.322 -2.054 224 HH12 ARG 25 HH12 ARG 25 9.997 -2.812 -2.106 225 HH21 ARG 25 HH21 ARG 25 8.962 -1.795 1.093 226 HH22 ARG 25 HH22 ARG 25 9.895 -1.365 -0.303 227 H PHE 26 H PHE 26 5.817 -7.242 -2.356 228 HA PHE 26 HA PHE 26 5.791 -9.917 -3.532 229 HB2 PHE 26 HB2 PHE 26 4.160 -9.108 -5.255 230 HB3 PHE 26 HB3 PHE 26 3.484 -9.247 -3.636 231 HD1 PHE 26 HD1 PHE 26 3.467 -7.040 -2.232 232 HD2 PHE 26 HD2 PHE 26 3.797 -7.193 -6.469 233 HE1 PHE 26 HE1 PHE 26 2.653 -4.723 -2.374 234 HE2 PHE 26 HE2 PHE 26 2.987 -4.874 -6.620 235 HZ PHE 26 HZ PHE 26 2.412 -3.638 -4.569 236 HA PRO 27 HA PRO 27 9.196 -7.425 -5.273 237 HB2 PRO 27 HB2 PRO 27 10.326 -10.085 -5.805 238 HB3 PRO 27 HB3 PRO 27 11.011 -8.736 -4.894 239 HG2 PRO 27 HG2 PRO 27 10.145 -10.965 -3.669 240 HG3 PRO 27 HG3 PRO 27 9.982 -9.361 -2.929 241 HD2 PRO 27 HD2 PRO 27 7.918 -11.011 -4.346 242 HD3 PRO 27 HD3 PRO 27 7.769 -10.050 -2.857 243 H LYS 28 H LYS 28 7.316 -7.166 -6.869 244 HA LYS 28 HA LYS 28 6.650 -7.043 -9.035 245 HB2 LYS 28 HB2 LYS 28 9.346 -8.307 -9.592 246 HB3 LYS 28 HB3 LYS 28 8.323 -7.506 -10.779 247 HG2 LYS 28 HG2 LYS 28 8.683 -5.396 -9.849 248 HG3 LYS 28 HG3 LYS 28 9.279 -6.066 -8.329 249 HD2 LYS 28 HD2 LYS 28 11.232 -6.979 -9.611 250 HD3 LYS 28 HD3 LYS 28 10.656 -6.071 -11.008 251 HE2 LYS 28 HE2 LYS 28 11.240 -4.788 -8.354 252 HE3 LYS 28 HE3 LYS 28 12.460 -4.971 -9.611 253 HZ1 LYS 28 HZ1 LYS 28 11.264 -2.785 -9.544 254 HZ2 LYS 28 HZ2 LYS 28 9.874 -3.597 -10.085 255 HZ3 LYS 28 HZ3 LYS 28 11.267 -3.566 -11.049 256 H SER 29 H SER 29 5.820 -9.198 -7.475 257 HA SER 29 HA SER 29 6.094 -11.734 -8.543 258 HB2 SER 29 HB2 SER 29 3.630 -10.646 -7.188 259 HB3 SER 29 HB3 SER 29 4.153 -12.329 -7.255 260 HG SER 29 HG SER 29 5.638 -11.960 -5.773 261 H THR 30 H THR 30 3.020 -9.971 -8.823 262 HA THR 30 HA THR 30 2.770 -11.025 -11.560 263 HB THR 30 HB THR 30 0.281 -10.604 -11.186 264 HG1 THR 30 HG1 THR 30 -0.069 -10.822 -8.726 265 HG21 THR 30 HG21 THR 30 1.661 -12.672 -9.469 266 HG22 THR 30 HG22 THR 30 1.238 -12.851 -11.171 267 HG23 THR 30 HG23 THR 30 -0.034 -12.709 -9.959 268 H GLU 31 H GLU 31 2.418 -8.230 -9.494 269 HA GLU 31 HA GLU 31 2.254 -6.012 -9.854 270 HB2 GLU 31 HB2 GLU 31 3.635 -6.848 -12.391 271 HB3 GLU 31 HB3 GLU 31 3.310 -5.164 -12.001 272 HG2 GLU 31 HG2 GLU 31 4.595 -5.460 -9.902 273 HG3 GLU 31 HG3 GLU 31 5.010 -7.091 -10.436 274 H GLY 32 H GLY 32 -0.030 -7.653 -10.584 275 HA2 GLY 32 HA2 GLY 32 -1.242 -6.310 -12.836 276 HA3 GLY 32 HA3 GLY 32 -2.035 -7.426 -11.731 277 H ASN 33 H ASN 33 -3.327 -6.647 -10.218 278 HA ASN 33 HA ASN 33 -4.084 -3.939 -10.111 279 HB2 ASN 33 HB2 ASN 33 -4.530 -6.278 -8.268 280 HB3 ASN 33 HB3 ASN 33 -5.154 -4.678 -7.888 281 HD21 ASN 33 HD21 ASN 33 -7.214 -5.638 -7.922 282 HD22 ASN 33 HD22 ASN 33 -8.033 -5.907 -9.433 283 H LEU 34 H LEU 34 -2.264 -5.898 -7.784 284 HA LEU 34 HA LEU 34 -1.781 -3.679 -6.052 285 HB2 LEU 34 HB2 LEU 34 -0.589 -6.442 -6.118 286 HB3 LEU 34 HB3 LEU 34 -0.358 -5.278 -4.831 287 HG LEU 34 HG LEU 34 -2.997 -6.493 -5.642 288 HD11 LEU 34 HD11 LEU 34 -1.564 -8.116 -4.557 289 HD12 LEU 34 HD12 LEU 34 -2.878 -7.638 -3.482 290 HD13 LEU 34 HD13 LEU 34 -1.259 -6.990 -3.235 291 HD21 LEU 34 HD21 LEU 34 -3.283 -4.239 -4.794 292 HD22 LEU 34 HD22 LEU 34 -2.302 -4.625 -3.380 293 HD23 LEU 34 HD23 LEU 34 -3.862 -5.414 -3.613 294 H GLY 35 H GLY 35 0.004 -5.305 -8.578 295 HA2 GLY 35 HA2 GLY 35 2.543 -4.197 -8.093 296 HA3 GLY 35 HA3 GLY 35 1.949 -4.726 -9.664 297 H GLY 36 H GLY 36 -0.205 -3.031 -9.991 298 HA2 GLY 36 HA2 GLY 36 1.101 -0.627 -10.842 299 HA3 GLY 36 HA3 GLY 36 -0.623 -0.960 -10.935 300 H TRP 37 H TRP 37 -0.857 -1.578 -8.118 301 HA TRP 37 HA TRP 37 -1.368 0.966 -7.033 302 HB2 TRP 37 HB2 TRP 37 -2.293 -1.397 -6.388 303 HB3 TRP 37 HB3 TRP 37 -0.900 -1.451 -5.313 304 HD1 TRP 37 HD1 TRP 37 -3.778 1.036 -6.049 305 HE1 TRP 37 HE1 TRP 37 -4.544 2.036 -3.815 306 HE3 TRP 37 HE3 TRP 37 -0.472 -1.300 -2.936 307 HZ2 TRP 37 HZ2 TRP 37 -3.844 1.871 -1.088 308 HZ3 TRP 37 HZ3 TRP 37 -0.584 -0.818 -0.526 309 HH2 TRP 37 HH2 TRP 37 -2.235 0.734 0.375 310 H CYS 38 H CYS 38 1.249 -1.376 -6.471 311 HA CYS 38 HA CYS 38 2.737 0.159 -4.662 312 HB2 CYS 38 HB2 CYS 38 3.156 -2.234 -5.115 313 HB3 CYS 38 HB3 CYS 38 3.757 -1.820 -6.716 314 HG CYS 38 HG CYS 38 5.209 -0.841 -3.775 315 H HIS 39 H HIS 39 2.882 -0.012 -8.212 316 HA HIS 39 HA HIS 39 4.999 1.787 -8.555 317 HB2 HIS 39 HB2 HIS 39 2.737 0.980 -10.368 318 HB3 HIS 39 HB3 HIS 39 3.961 2.137 -10.874 319 HD1 HIS 39 HD1 HIS 39 6.559 1.010 -10.265 320 HD2 HIS 39 HD2 HIS 39 3.376 -1.471 -11.277 321 HE1 HIS 39 HE1 HIS 39 7.586 -1.167 -10.971 322 HE2 HIS 39 HE2 HIS 39 5.650 -2.700 -11.454 323 H THR 40 H THR 40 1.558 2.397 -8.032 324 HA THR 40 HA THR 40 1.704 5.118 -8.858 325 HB THR 40 HB THR 40 -0.433 3.636 -8.594 326 HG1 THR 40 HG1 THR 40 -1.649 5.635 -8.192 327 HG21 THR 40 HG21 THR 40 -0.268 4.862 -5.841 328 HG22 THR 40 HG22 THR 40 -0.247 3.139 -6.220 329 HG23 THR 40 HG23 THR 40 -1.696 4.094 -6.534 330 H GLN 41 H GLN 41 2.043 3.469 -5.739 331 HA GLN 41 HA GLN 41 2.288 5.894 -4.241 332 HB2 GLN 41 HB2 GLN 41 2.684 2.994 -3.658 333 HB3 GLN 41 HB3 GLN 41 3.388 4.179 -2.560 334 HG2 GLN 41 HG2 GLN 41 1.425 4.614 -1.638 335 HG3 GLN 41 HG3 GLN 41 0.664 4.849 -3.209 336 HE21 GLN 41 HE21 GLN 41 -0.375 3.160 -4.193 337 HE22 GLN 41 HE22 GLN 41 -0.778 1.701 -3.367 338 H ARG 42 H ARG 42 4.466 3.794 -5.941 339 HA ARG 42 HA ARG 42 6.935 4.746 -5.113 340 HB2 ARG 42 HB2 ARG 42 6.601 2.907 -6.726 341 HB3 ARG 42 HB3 ARG 42 6.034 4.064 -7.920 342 HG2 ARG 42 HG2 ARG 42 8.302 3.448 -8.406 343 HG3 ARG 42 HG3 ARG 42 8.255 5.135 -7.887 344 HD2 ARG 42 HD2 ARG 42 9.207 4.656 -5.827 345 HD3 ARG 42 HD3 ARG 42 8.782 2.948 -5.914 346 HE ARG 42 HE ARG 42 10.550 3.516 -8.004 347 HH11 ARG 42 HH11 ARG 42 10.546 3.456 -4.511 348 HH12 ARG 42 HH12 ARG 42 12.214 2.975 -4.382 349 HH21 ARG 42 HH21 ARG 42 12.737 2.824 -7.845 350 HH22 ARG 42 HH22 ARG 42 13.427 2.541 -6.266 351 H LYS 43 H LYS 43 4.679 6.040 -7.492 352 HA LYS 43 HA LYS 43 6.197 8.363 -8.134 353 HB2 LYS 43 HB2 LYS 43 3.221 7.909 -8.394 354 HB3 LYS 43 HB3 LYS 43 4.163 9.134 -9.228 355 HG2 LYS 43 HG2 LYS 43 5.135 7.594 -10.658 356 HG3 LYS 43 HG3 LYS 43 4.771 6.231 -9.592 357 HD2 LYS 43 HD2 LYS 43 3.311 6.317 -11.582 358 HD3 LYS 43 HD3 LYS 43 2.421 6.421 -10.068 359 HE2 LYS 43 HE2 LYS 43 1.472 8.033 -11.518 360 HE3 LYS 43 HE3 LYS 43 2.446 8.920 -10.353 361 HZ1 LYS 43 HZ1 LYS 43 2.790 9.770 -12.574 362 HZ2 LYS 43 HZ2 LYS 43 3.256 8.235 -13.128 363 HZ3 LYS 43 HZ3 LYS 43 4.219 9.057 -12.003 364 H MET 44 H MET 44 3.245 7.855 -6.211 365 HA MET 44 HA MET 44 2.802 10.497 -5.493 366 HB2 MET 44 HB2 MET 44 2.152 8.086 -3.788 367 HB3 MET 44 HB3 MET 44 1.380 9.658 -3.710 368 HG2 MET 44 HG2 MET 44 1.232 7.737 -6.023 369 HG3 MET 44 HG3 MET 44 -0.017 7.989 -4.811 370 HE1 MET 44 HE1 MET 44 1.279 8.904 -8.235 371 HE2 MET 44 HE2 MET 44 2.209 10.123 -7.362 372 HE3 MET 44 HE3 MET 44 0.910 10.618 -8.447 373 H ARG 45 H ARG 45 4.924 8.127 -3.940 374 HA ARG 45 HA ARG 45 5.458 9.783 -1.668 375 HB2 ARG 45 HB2 ARG 45 5.798 7.416 -1.432 376 HB3 ARG 45 HB3 ARG 45 6.908 7.386 -2.794 377 HG2 ARG 45 HG2 ARG 45 8.052 7.223 -0.623 378 HG3 ARG 45 HG3 ARG 45 8.548 8.636 -1.556 379 HD2 ARG 45 HD2 ARG 45 6.891 9.972 -0.218 380 HD3 ARG 45 HD3 ARG 45 6.682 8.550 0.807 381 HE ARG 45 HE ARG 45 9.311 8.835 0.937 382 HH11 ARG 45 HH11 ARG 45 6.793 11.279 1.152 383 HH12 ARG 45 HH12 ARG 45 7.749 12.347 2.133 384 HH21 ARG 45 HH21 ARG 45 10.556 10.239 2.233 385 HH22 ARG 45 HH22 ARG 45 9.885 11.747 2.765 386 H LYS 46 H LYS 46 7.201 9.046 -4.663 387 HA LYS 46 HA LYS 46 9.420 10.715 -4.145 388 HB2 LYS 46 HB2 LYS 46 9.397 8.863 -5.792 389 HB3 LYS 46 HB3 LYS 46 8.294 9.784 -6.797 390 HG2 LYS 46 HG2 LYS 46 10.848 11.090 -6.091 391 HG3 LYS 46 HG3 LYS 46 10.928 9.714 -7.191 392 HD2 LYS 46 HD2 LYS 46 9.216 12.173 -7.559 393 HD3 LYS 46 HD3 LYS 46 10.724 11.831 -8.406 394 HE2 LYS 46 HE2 LYS 46 8.277 10.078 -8.525 395 HE3 LYS 46 HE3 LYS 46 8.663 11.319 -9.715 396 HZ1 LYS 46 HZ1 LYS 46 10.636 10.154 -10.323 397 HZ2 LYS 46 HZ2 LYS 46 9.348 9.050 -10.364 398 HZ3 LYS 46 HZ3 LYS 46 10.446 9.029 -9.068 399 H GLN 47 H GLN 47 6.261 11.278 -5.507 400 HA GLN 47 HA GLN 47 6.804 13.968 -6.371 401 HB2 GLN 47 HB2 GLN 47 4.273 12.360 -6.025 402 HB3 GLN 47 HB3 GLN 47 4.259 14.033 -6.553 403 HG2 GLN 47 HG2 GLN 47 5.573 13.467 -8.503 404 HG3 GLN 47 HG3 GLN 47 5.706 11.799 -7.953 405 HE21 GLN 47 HE21 GLN 47 2.776 13.674 -7.641 406 HE22 GLN 47 HE22 GLN 47 1.865 12.789 -8.814 407 H GLY 48 H GLY 48 5.940 12.419 -3.437 408 HA2 GLY 48 HA2 GLY 48 5.971 13.286 -1.305 409 HA3 GLY 48 HA3 GLY 48 6.266 14.874 -1.995 410 H LYS 49 H LYS 49 3.554 12.584 -2.367 411 HA LYS 49 HA LYS 49 1.855 14.472 -0.932 412 HB2 LYS 49 HB2 LYS 49 0.111 14.279 -2.730 413 HB3 LYS 49 HB3 LYS 49 1.512 15.258 -3.108 414 HG2 LYS 49 HG2 LYS 49 1.109 14.069 -5.059 415 HG3 LYS 49 HG3 LYS 49 2.418 13.179 -4.282 416 HD2 LYS 49 HD2 LYS 49 0.799 11.618 -5.122 417 HD3 LYS 49 HD3 LYS 49 0.738 11.609 -3.360 418 HE2 LYS 49 HE2 LYS 49 -1.501 11.568 -4.222 419 HE3 LYS 49 HE3 LYS 49 -1.210 13.131 -3.468 420 HZ1 LYS 49 HZ1 LYS 49 -2.392 13.160 -5.670 421 HZ2 LYS 49 HZ2 LYS 49 -0.929 12.694 -6.389 422 HZ3 LYS 49 HZ3 LYS 49 -1.034 14.171 -5.559 423 H LEU 50 H LEU 50 2.917 11.543 -0.975 424 HA LEU 50 HA LEU 50 0.569 9.932 -0.808 425 HB2 LEU 50 HB2 LEU 50 3.440 9.603 -0.309 426 HB3 LEU 50 HB3 LEU 50 2.444 8.673 0.790 427 HG LEU 50 HG LEU 50 2.524 8.483 -2.214 428 HD11 LEU 50 HD11 LEU 50 4.356 7.377 -1.088 429 HD12 LEU 50 HD12 LEU 50 3.238 6.179 -1.740 430 HD13 LEU 50 HD13 LEU 50 3.230 6.548 -0.014 431 HD21 LEU 50 HD21 LEU 50 0.219 8.238 -1.477 432 HD22 LEU 50 HD22 LEU 50 0.718 7.049 -0.273 433 HD23 LEU 50 HD23 LEU 50 0.878 6.686 -1.991 434 HA PRO 51 HA PRO 51 -0.700 11.157 3.288 435 HB2 PRO 51 HB2 PRO 51 -2.588 9.301 3.726 436 HB3 PRO 51 HB3 PRO 51 -2.810 10.599 2.546 437 HG2 PRO 51 HG2 PRO 51 -2.036 7.747 2.101 438 HG3 PRO 51 HG3 PRO 51 -3.164 8.757 1.179 439 HD2 PRO 51 HD2 PRO 51 -0.581 8.264 0.409 440 HD3 PRO 51 HD3 PRO 51 -1.489 9.716 -0.046 441 H ASN 52 H ASN 52 -0.280 10.692 5.338 442 HA ASN 52 HA ASN 52 1.649 8.761 6.006 443 HB2 ASN 52 HB2 ASN 52 1.325 10.933 7.161 444 HB3 ASN 52 HB3 ASN 52 -0.178 10.322 7.842 445 HD21 ASN 52 HD21 ASN 52 3.269 10.116 7.866 446 HD22 ASN 52 HD22 ASN 52 3.412 9.260 9.356 447 H ASP 53 H ASP 53 -1.849 8.890 6.598 448 HA ASP 53 HA ASP 53 -2.102 6.772 8.367 449 HB2 ASP 53 HB2 ASP 53 -4.052 7.602 6.212 450 HB3 ASP 53 HB3 ASP 53 -4.442 6.610 7.611 451 H ARG 54 H ARG 54 -2.436 6.680 4.838 452 HA ARG 54 HA ARG 54 -2.948 3.961 4.535 453 HB2 ARG 54 HB2 ARG 54 -3.063 5.799 2.781 454 HB3 ARG 54 HB3 ARG 54 -1.322 5.620 2.613 455 HG2 ARG 54 HG2 ARG 54 -2.128 3.051 2.332 456 HG3 ARG 54 HG3 ARG 54 -3.497 3.921 1.631 457 HD2 ARG 54 HD2 ARG 54 -2.132 3.691 -0.204 458 HD3 ARG 54 HD3 ARG 54 -1.627 5.268 0.394 459 HE ARG 54 HE ARG 54 -0.111 2.784 0.461 460 HH11 ARG 54 HH11 ARG 54 -0.301 6.139 1.476 461 HH12 ARG 54 HH12 ARG 54 1.403 6.275 1.758 462 HH21 ARG 54 HH21 ARG 54 2.118 2.975 0.829 463 HH22 ARG 54 HH22 ARG 54 2.786 4.478 1.395 464 H ARG 55 H ARG 55 0.104 5.709 4.490 465 HA ARG 55 HA ARG 55 1.885 3.647 3.992 466 HB2 ARG 55 HB2 ARG 55 2.286 6.168 4.173 467 HB3 ARG 55 HB3 ARG 55 2.386 5.931 5.907 468 HG2 ARG 55 HG2 ARG 55 4.184 4.529 3.945 469 HG3 ARG 55 HG3 ARG 55 4.568 6.084 4.679 470 HD2 ARG 55 HD2 ARG 55 3.950 4.603 6.869 471 HD3 ARG 55 HD3 ARG 55 4.645 3.377 5.810 472 HE ARG 55 HE ARG 55 6.324 5.629 5.823 473 HH11 ARG 55 HH11 ARG 55 5.348 2.941 7.853 474 HH12 ARG 55 HH12 ARG 55 6.757 3.047 8.864 475 HH21 ARG 55 HH21 ARG 55 8.176 5.762 7.172 476 HH22 ARG 55 HH22 ARG 55 8.338 4.647 8.501 477 H LEU 56 H LEU 56 0.653 4.838 7.116 478 HA LEU 56 HA LEU 56 2.134 3.002 8.688 479 HB2 LEU 56 HB2 LEU 56 1.130 5.197 9.441 480 HB3 LEU 56 HB3 LEU 56 -0.422 4.383 9.487 481 HG LEU 56 HG LEU 56 0.448 2.825 11.185 482 HD11 LEU 56 HD11 LEU 56 2.805 2.876 10.538 483 HD12 LEU 56 HD12 LEU 56 2.598 3.256 12.248 484 HD13 LEU 56 HD13 LEU 56 2.922 4.547 11.091 485 HD21 LEU 56 HD21 LEU 56 -0.707 4.874 11.867 486 HD22 LEU 56 HD22 LEU 56 0.835 5.731 11.893 487 HD23 LEU 56 HD23 LEU 56 0.539 4.413 13.027 488 H LEU 57 H LEU 57 -1.065 2.882 7.241 489 HA LEU 57 HA LEU 57 -2.072 0.696 8.696 490 HB2 LEU 57 HB2 LEU 57 -2.708 1.538 5.866 491 HB3 LEU 57 HB3 LEU 57 -3.650 0.407 6.819 492 HG LEU 57 HG LEU 57 -3.276 3.352 7.376 493 HD11 LEU 57 HD11 LEU 57 -5.671 3.485 6.946 494 HD12 LEU 57 HD12 LEU 57 -5.709 1.760 6.583 495 HD13 LEU 57 HD13 LEU 57 -4.806 2.860 5.541 496 HD21 LEU 57 HD21 LEU 57 -3.353 2.153 9.472 497 HD22 LEU 57 HD22 LEU 57 -4.777 1.258 8.943 498 HD23 LEU 57 HD23 LEU 57 -4.881 2.998 9.212 499 H LEU 58 H LEU 58 0.043 0.879 5.915 500 HA LEU 58 HA LEU 58 -0.087 -1.895 5.264 501 HB2 LEU 58 HB2 LEU 58 2.073 0.117 4.628 502 HB3 LEU 58 HB3 LEU 58 1.880 -1.456 3.875 503 HG LEU 58 HG LEU 58 0.015 0.907 3.634 504 HD11 LEU 58 HD11 LEU 58 2.029 1.077 2.292 505 HD12 LEU 58 HD12 LEU 58 0.621 0.797 1.271 506 HD13 LEU 58 HD13 LEU 58 1.733 -0.526 1.618 507 HD21 LEU 58 HD21 LEU 58 -0.268 -1.861 2.465 508 HD22 LEU 58 HD22 LEU 58 -1.317 -0.480 2.142 509 HD23 LEU 58 HD23 LEU 58 -1.258 -1.182 3.757 510 H ASP 59 H ASP 59 2.010 0.073 7.291 511 HA ASP 59 HA ASP 59 3.869 -1.887 8.028 512 HB2 ASP 59 HB2 ASP 59 2.807 0.546 9.457 513 HB3 ASP 59 HB3 ASP 59 4.000 -0.507 10.206 514 H LYS 60 H LYS 60 0.611 -1.245 9.136 515 HA LYS 60 HA LYS 60 0.702 -2.870 11.445 516 HB2 LYS 60 HB2 LYS 60 -1.361 -1.430 9.904 517 HB3 LYS 60 HB3 LYS 60 -1.928 -2.800 10.839 518 HG2 LYS 60 HG2 LYS 60 -2.141 -0.748 12.110 519 HG3 LYS 60 HG3 LYS 60 -0.964 -1.821 12.866 520 HD2 LYS 60 HD2 LYS 60 0.855 -0.531 11.836 521 HD3 LYS 60 HD3 LYS 60 -0.334 0.548 11.105 522 HE2 LYS 60 HE2 LYS 60 0.589 1.554 13.109 523 HE3 LYS 60 HE3 LYS 60 -1.119 1.183 13.342 524 HZ1 LYS 60 HZ1 LYS 60 1.140 -0.496 14.302 525 HZ2 LYS 60 HZ2 LYS 60 -0.509 -0.785 14.576 526 HZ3 LYS 60 HZ3 LYS 60 0.238 0.569 15.267 527 H ILE 61 H ILE 61 -0.024 -3.555 8.060 528 HA ILE 61 HA ILE 61 -0.961 -6.223 8.734 529 HB ILE 61 HB ILE 61 -1.151 -6.590 6.292 530 HG12 ILE 61 HG12 ILE 61 -0.354 -3.685 6.054 531 HG13 ILE 61 HG13 ILE 61 0.678 -5.039 5.615 532 HG21 ILE 61 HG21 ILE 61 -2.483 -4.067 7.258 533 HG22 ILE 61 HG22 ILE 61 -3.017 -5.707 7.619 534 HG23 ILE 61 HG23 ILE 61 -3.050 -5.119 5.956 535 HD11 ILE 61 HD11 ILE 61 -0.387 -4.022 3.675 536 HD12 ILE 61 HD12 ILE 61 -1.974 -4.369 4.365 537 HD13 ILE 61 HD13 ILE 61 -0.908 -5.694 3.895 538 H GLY 62 H GLY 62 1.999 -4.753 8.363 539 HA2 GLY 62 HA2 GLY 62 3.991 -5.966 8.850 540 HA3 GLY 62 HA3 GLY 62 3.261 -7.394 8.133 541 H PHE 63 H PHE 63 2.987 -4.386 6.449 542 HA PHE 63 HA PHE 63 4.602 -5.445 4.293 543 HB2 PHE 63 HB2 PHE 63 2.467 -4.238 3.839 544 HB3 PHE 63 HB3 PHE 63 3.183 -2.777 4.503 545 HD1 PHE 63 HD1 PHE 63 3.432 -5.230 1.757 546 HD2 PHE 63 HD2 PHE 63 4.555 -1.388 3.197 547 HE1 PHE 63 HE1 PHE 63 4.298 -4.654 -0.471 548 HE2 PHE 63 HE2 PHE 63 5.429 -0.807 0.973 549 HZ PHE 63 HZ PHE 63 5.301 -2.441 -0.865 550 H VAL 64 H VAL 64 6.691 -5.332 4.486 551 HA VAL 64 HA VAL 64 7.981 -3.304 6.033 552 HB VAL 64 HB VAL 64 8.746 -5.662 5.936 553 HG11 VAL 64 HG11 VAL 64 10.086 -6.416 4.021 554 HG12 VAL 64 HG12 VAL 64 9.635 -4.954 3.146 555 HG13 VAL 64 HG13 VAL 64 8.399 -6.132 3.587 556 HG21 VAL 64 HG21 VAL 64 10.789 -3.637 5.041 557 HG22 VAL 64 HG22 VAL 64 11.134 -5.167 5.849 558 HG23 VAL 64 HG23 VAL 64 10.248 -3.901 6.700 559 H TRP 65 H TRP 65 9.250 -1.620 5.306 560 HA TRP 65 HA TRP 65 8.838 -0.872 2.505 561 HB2 TRP 65 HB2 TRP 65 9.770 0.759 4.878 562 HB3 TRP 65 HB3 TRP 65 9.556 1.387 3.246 563 HD1 TRP 65 HD1 TRP 65 7.650 0.593 6.395 564 HE1 TRP 65 HE1 TRP 65 5.166 1.208 6.085 565 HE3 TRP 65 HE3 TRP 65 7.673 1.453 1.357 566 HZ2 TRP 65 HZ2 TRP 65 3.453 1.956 3.957 567 HZ3 TRP 65 HZ3 TRP 65 5.572 2.112 0.260 568 HH2 TRP 65 HH2 TRP 65 3.509 2.358 1.538 569 H SER 66 H SER 66 11.332 -1.447 4.898 570 HA SER 66 HA SER 66 13.537 -1.940 4.742 571 HB2 SER 66 HB2 SER 66 12.669 -3.514 2.946 572 HB3 SER 66 HB3 SER 66 13.122 -2.289 1.762 573 HG SER 66 HG SER 66 14.805 -3.733 3.537 574 H LEU 67 H LEU 67 15.449 -1.349 2.782 575 HA LEU 67 HA LEU 67 15.327 1.597 2.770 576 HB2 LEU 67 HB2 LEU 67 17.741 -0.158 3.246 577 HB3 LEU 67 HB3 LEU 67 17.784 1.585 3.085 578 HG LEU 67 HG LEU 67 16.172 1.592 5.117 579 HD11 LEU 67 HD11 LEU 67 17.420 -1.132 5.460 580 HD12 LEU 67 HD12 LEU 67 15.719 -0.822 5.108 581 HD13 LEU 67 HD13 LEU 67 16.415 -0.279 6.634 582 HD21 LEU 67 HD21 LEU 67 19.062 0.794 5.413 583 HD22 LEU 67 HD22 LEU 67 18.072 1.572 6.648 584 HD23 LEU 67 HD23 LEU 67 18.454 2.431 5.156 585 H GLU 68 H GLU 68 16.276 2.670 1.028 586 HA GLU 68 HA GLU 68 17.390 1.162 -1.177 587 HB2 GLU 68 HB2 GLU 68 14.957 0.954 -1.530 588 HB3 GLU 68 HB3 GLU 68 14.801 2.702 -1.480 589 HG2 GLU 68 HG2 GLU 68 16.388 2.749 -3.460 590 HG3 GLU 68 HG3 GLU 68 16.114 1.011 -3.577 591 H HIS 69 H HIS 69 18.321 2.532 -2.804 592 HA HIS 69 HA HIS 69 19.257 4.372 -3.727 593 HB2 HIS 69 HB2 HIS 69 17.152 5.769 -2.085 594 HB3 HIS 69 HB3 HIS 69 18.295 6.653 -3.089 595 HD1 HIS 69 HD1 HIS 69 15.039 6.200 -3.404 596 HD2 HIS 69 HD2 HIS 69 18.141 4.688 -5.730 597 HE1 HIS 69 HE1 HIS 69 14.017 5.671 -5.646 598 HE2 HIS 69 HE2 HIS 69 15.896 4.671 -7.007 599 H HIS 70 H HIS 70 20.065 3.234 -1.041 600 HA HIS 70 HA HIS 70 21.811 5.483 -0.269 601 HB2 HIS 70 HB2 HIS 70 20.869 3.189 1.473 602 HB3 HIS 70 HB3 HIS 70 21.981 4.457 1.966 603 HD1 HIS 70 HD1 HIS 70 19.314 3.885 3.429 604 HD2 HIS 70 HD2 HIS 70 19.846 6.811 0.523 605 HE1 HIS 70 HE1 HIS 70 17.497 5.579 3.834 606 HE2 HIS 70 HE2 HIS 70 17.727 7.248 1.953 607 H HIS 71 H HIS 71 23.971 4.888 0.357 608 HA HIS 71 HA HIS 71 25.049 2.312 0.034 609 HB2 HIS 71 HB2 HIS 71 24.411 2.942 -2.395 610 HB3 HIS 71 HB3 HIS 71 25.746 4.086 -2.306 611 HD1 HIS 71 HD1 HIS 71 27.936 3.193 -3.031 612 HD2 HIS 71 HD2 HIS 71 25.352 0.170 -1.814 613 HE1 HIS 71 HE1 HIS 71 29.148 1.033 -3.495 614 HE2 HIS 71 HE2 HIS 71 27.477 -0.775 -2.946 615 H HIS 72 H HIS 72 25.780 5.703 -0.709 616 HA HIS 72 HA HIS 72 27.253 6.113 1.644 617 HB2 HIS 72 HB2 HIS 72 28.937 4.729 0.346 618 HB3 HIS 72 HB3 HIS 72 29.016 6.055 -0.812 619 HD1 HIS 72 HD1 HIS 72 29.445 5.574 2.938 620 HD2 HIS 72 HD2 HIS 72 30.941 7.876 -0.190 621 HE1 HIS 72 HE1 HIS 72 31.270 6.988 3.943 622 HE2 HIS 72 HE2 HIS 72 32.221 8.308 2.023 623 H HIS 73 H HIS 73 26.793 7.081 -1.731 624 HA HIS 73 HA HIS 73 26.947 9.884 -1.021 625 HB2 HIS 73 HB2 HIS 73 26.439 10.343 -3.371 626 HB3 HIS 73 HB3 HIS 73 27.744 9.175 -3.245 627 HD1 HIS 73 HD1 HIS 73 27.488 7.084 -4.575 628 HD2 HIS 73 HD2 HIS 73 23.874 9.096 -4.103 629 HE1 HIS 73 HE1 HIS 73 25.828 5.863 -6.023 630 HE2 HIS 73 HE2 HIS 73 23.702 7.204 -5.860 631 H HIS 74 H HIS 74 25.079 11.322 -1.701 632 HA HIS 74 HA HIS 74 22.677 10.254 -0.461 633 HB2 HIS 74 HB2 HIS 74 21.915 12.525 -0.282 634 HB3 HIS 74 HB3 HIS 74 23.603 12.488 0.206 635 HD1 HIS 74 HD1 HIS 74 21.279 14.105 -2.099 636 HD2 HIS 74 HD2 HIS 74 25.396 13.590 -1.809 637 HE1 HIS 74 HE1 HIS 74 22.290 15.800 -3.658 638 HE2 HIS 74 HE2 HIS 74 24.767 15.338 -3.610 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -4.819 7.632 -8.934 2 H2 MET 1 H2 MET 1 -4.947 6.510 -7.672 3 H3 MET 1 H3 MET 1 -4.462 8.108 -7.347 4 HA MET 1 HA MET 1 -6.735 7.786 -6.692 5 HB2 MET 1 HB2 MET 1 -7.743 9.633 -7.922 6 HB3 MET 1 HB3 MET 1 -6.059 9.992 -7.579 7 HG2 MET 1 HG2 MET 1 -7.113 8.997 -10.222 8 HG3 MET 1 HG3 MET 1 -6.751 10.678 -9.839 9 HE1 MET 1 HE1 MET 1 -5.221 10.765 -12.030 10 HE2 MET 1 HE2 MET 1 -5.544 9.064 -12.364 11 HE3 MET 1 HE3 MET 1 -3.884 9.655 -12.334 12 H ASN 2 H ASN 2 -8.686 6.863 -7.019 13 HA ASN 2 HA ASN 2 -9.223 5.676 -9.655 14 HB2 ASN 2 HB2 ASN 2 -9.328 4.371 -6.956 15 HB3 ASN 2 HB3 ASN 2 -10.440 3.847 -8.217 16 HD21 ASN 2 HD21 ASN 2 -8.267 2.371 -6.936 17 HD22 ASN 2 HD22 ASN 2 -7.220 1.890 -8.223 18 H GLN 3 H GLN 3 -10.944 6.666 -10.456 19 HA GLN 3 HA GLN 3 -13.073 7.451 -8.584 20 HB2 GLN 3 HB2 GLN 3 -12.191 8.810 -11.132 21 HB3 GLN 3 HB3 GLN 3 -13.630 9.253 -10.219 22 HG2 GLN 3 HG2 GLN 3 -12.128 9.640 -8.244 23 HG3 GLN 3 HG3 GLN 3 -10.763 9.436 -9.338 24 HE21 GLN 3 HE21 GLN 3 -13.448 11.445 -8.439 25 HE22 GLN 3 HE22 GLN 3 -12.936 12.858 -9.306 26 H ASN 4 H ASN 4 -12.463 5.064 -10.512 27 HA ASN 4 HA ASN 4 -15.098 4.993 -11.797 28 HB2 ASN 4 HB2 ASN 4 -12.807 3.012 -11.947 29 HB3 ASN 4 HB3 ASN 4 -14.315 2.903 -12.854 30 HD21 ASN 4 HD21 ASN 4 -11.266 4.495 -12.543 31 HD22 ASN 4 HD22 ASN 4 -11.324 5.357 -14.049 32 H LEU 5 H LEU 5 -13.344 3.946 -9.097 33 HA LEU 5 HA LEU 5 -15.708 2.549 -8.070 34 HB2 LEU 5 HB2 LEU 5 -12.833 1.677 -7.726 35 HB3 LEU 5 HB3 LEU 5 -14.185 1.009 -6.835 36 HG LEU 5 HG LEU 5 -13.871 0.848 -9.831 37 HD11 LEU 5 HD11 LEU 5 -12.141 -0.431 -8.691 38 HD12 LEU 5 HD12 LEU 5 -13.324 -1.503 -9.442 39 HD13 LEU 5 HD13 LEU 5 -13.367 -1.224 -7.701 40 HD21 LEU 5 HD21 LEU 5 -16.192 0.783 -9.086 41 HD22 LEU 5 HD22 LEU 5 -15.796 -0.499 -7.942 42 HD23 LEU 5 HD23 LEU 5 -15.676 -0.796 -9.676 43 H GLN 6 H GLN 6 -16.370 3.454 -6.205 44 HA GLN 6 HA GLN 6 -14.886 5.664 -5.147 45 HB2 GLN 6 HB2 GLN 6 -17.450 5.393 -5.317 46 HB3 GLN 6 HB3 GLN 6 -17.312 4.431 -3.853 47 HG2 GLN 6 HG2 GLN 6 -16.028 7.092 -3.832 48 HG3 GLN 6 HG3 GLN 6 -17.787 7.054 -3.851 49 HE21 GLN 6 HE21 GLN 6 -17.890 7.952 -1.798 50 HE22 GLN 6 HE22 GLN 6 -17.497 7.054 -0.369 51 H GLY 7 H GLY 7 -15.849 2.481 -3.905 52 HA2 GLY 7 HA2 GLY 7 -14.112 2.900 -1.573 53 HA3 GLY 7 HA3 GLY 7 -15.338 1.650 -1.735 54 H GLU 8 H GLU 8 -12.826 2.519 -4.044 55 HA GLU 8 HA GLU 8 -12.101 -0.182 -4.471 56 HB2 GLU 8 HB2 GLU 8 -11.839 1.874 -6.026 57 HB3 GLU 8 HB3 GLU 8 -10.340 2.159 -5.159 58 HG2 GLU 8 HG2 GLU 8 -10.965 -0.439 -6.524 59 HG3 GLU 8 HG3 GLU 8 -10.160 0.897 -7.326 60 H TRP 9 H TRP 9 -10.747 2.422 -2.528 61 HA TRP 9 HA TRP 9 -8.318 1.346 -1.798 62 HB2 TRP 9 HB2 TRP 9 -8.733 3.562 -1.133 63 HB3 TRP 9 HB3 TRP 9 -10.245 3.138 -0.342 64 HD1 TRP 9 HD1 TRP 9 -9.970 3.543 2.157 65 HE1 TRP 9 HE1 TRP 9 -8.173 3.056 3.938 66 HE3 TRP 9 HE3 TRP 9 -6.353 1.548 -0.865 67 HZ2 TRP 9 HZ2 TRP 9 -5.576 1.966 4.038 68 HZ3 TRP 9 HZ3 TRP 9 -4.245 0.803 0.160 69 HH2 TRP 9 HH2 TRP 9 -3.867 1.011 2.563 70 H MET 10 H MET 10 -11.368 1.019 0.032 71 HA MET 10 HA MET 10 -10.397 -0.762 1.945 72 HB2 MET 10 HB2 MET 10 -12.558 0.425 2.105 73 HB3 MET 10 HB3 MET 10 -13.205 -0.607 0.840 74 HG2 MET 10 HG2 MET 10 -12.996 -2.546 2.233 75 HG3 MET 10 HG3 MET 10 -12.174 -1.610 3.480 76 HE1 MET 10 HE1 MET 10 -13.884 1.103 3.364 77 HE2 MET 10 HE2 MET 10 -13.320 0.328 4.845 78 HE3 MET 10 HE3 MET 10 -15.015 0.788 4.681 79 H LYS 11 H LYS 11 -11.593 -1.324 -1.304 80 HA LYS 11 HA LYS 11 -11.894 -4.124 -1.017 81 HB2 LYS 11 HB2 LYS 11 -13.078 -2.851 -2.742 82 HB3 LYS 11 HB3 LYS 11 -11.551 -2.456 -3.516 83 HG2 LYS 11 HG2 LYS 11 -12.165 -5.328 -3.133 84 HG3 LYS 11 HG3 LYS 11 -13.111 -4.448 -4.333 85 HD2 LYS 11 HD2 LYS 11 -10.096 -4.524 -4.235 86 HD3 LYS 11 HD3 LYS 11 -11.097 -5.536 -5.279 87 HE2 LYS 11 HE2 LYS 11 -11.986 -3.565 -6.375 88 HE3 LYS 11 HE3 LYS 11 -11.082 -2.522 -5.283 89 HZ1 LYS 11 HZ1 LYS 11 -9.190 -2.822 -6.412 90 HZ2 LYS 11 HZ2 LYS 11 -10.215 -3.273 -7.694 91 HZ3 LYS 11 HZ3 LYS 11 -9.491 -4.460 -6.730 92 H ASN 12 H ASN 12 -9.334 -2.179 -2.674 93 HA ASN 12 HA ASN 12 -7.729 -4.456 -3.163 94 HB2 ASN 12 HB2 ASN 12 -5.985 -2.975 -3.835 95 HB3 ASN 12 HB3 ASN 12 -7.499 -2.289 -4.392 96 HD21 ASN 12 HD21 ASN 12 -8.021 -0.294 -3.800 97 HD22 ASN 12 HD22 ASN 12 -7.102 0.685 -2.716 98 H TYR 13 H TYR 13 -7.952 -2.274 -0.417 99 HA TYR 13 HA TYR 13 -5.515 -2.994 0.792 100 HB2 TYR 13 HB2 TYR 13 -6.805 -1.022 1.497 101 HB3 TYR 13 HB3 TYR 13 -8.065 -2.073 2.137 102 HD1 TYR 13 HD2 TYR 13 -4.334 -1.961 2.414 103 HD2 TYR 13 HD1 TYR 13 -8.068 -2.121 4.440 104 HE1 TYR 13 HE2 TYR 13 -3.154 -2.049 4.570 105 HE2 TYR 13 HE1 TYR 13 -6.900 -2.212 6.599 106 HH TYR 13 HH TYR 13 -3.483 -1.683 6.875 107 H GLU 14 H GLU 14 -8.791 -4.312 1.191 108 HA GLU 14 HA GLU 14 -8.179 -6.229 3.132 109 HB2 GLU 14 HB2 GLU 14 -10.325 -5.927 1.092 110 HB3 GLU 14 HB3 GLU 14 -10.161 -7.483 1.896 111 HG2 GLU 14 HG2 GLU 14 -10.512 -4.843 3.302 112 HG3 GLU 14 HG3 GLU 14 -11.804 -5.998 2.970 113 H GLU 15 H GLU 15 -7.821 -6.324 -0.365 114 HA GLU 15 HA GLU 15 -7.061 -9.088 -0.443 115 HB2 GLU 15 HB2 GLU 15 -6.549 -6.910 -2.482 116 HB3 GLU 15 HB3 GLU 15 -6.431 -8.643 -2.759 117 HG2 GLU 15 HG2 GLU 15 -8.947 -7.139 -2.068 118 HG3 GLU 15 HG3 GLU 15 -8.491 -7.717 -3.670 119 H LEU 16 H LEU 16 -5.414 -5.993 -0.336 120 HA LEU 16 HA LEU 16 -2.786 -6.903 -0.737 121 HB2 LEU 16 HB2 LEU 16 -3.528 -4.557 -0.949 122 HB3 LEU 16 HB3 LEU 16 -3.736 -4.484 0.791 123 HG LEU 16 HG LEU 16 -1.317 -4.872 1.085 124 HD11 LEU 16 HD11 LEU 16 -1.232 -4.669 -1.922 125 HD12 LEU 16 HD12 LEU 16 -0.911 -6.121 -0.972 126 HD13 LEU 16 HD13 LEU 16 0.164 -4.729 -0.847 127 HD21 LEU 16 HD21 LEU 16 -0.590 -2.679 0.318 128 HD22 LEU 16 HD22 LEU 16 -2.211 -2.600 1.010 129 HD23 LEU 16 HD23 LEU 16 -1.995 -2.572 -0.740 130 H LYS 17 H LYS 17 -4.673 -6.411 2.231 131 HA LYS 17 HA LYS 17 -2.753 -6.825 4.178 132 HB2 LYS 17 HB2 LYS 17 -5.575 -7.917 4.136 133 HB3 LYS 17 HB3 LYS 17 -4.562 -7.788 5.564 134 HG2 LYS 17 HG2 LYS 17 -4.645 -5.433 5.521 135 HG3 LYS 17 HG3 LYS 17 -5.357 -5.421 3.904 136 HD2 LYS 17 HD2 LYS 17 -7.043 -4.982 5.607 137 HD3 LYS 17 HD3 LYS 17 -7.367 -6.500 4.779 138 HE2 LYS 17 HE2 LYS 17 -6.313 -7.710 6.652 139 HE3 LYS 17 HE3 LYS 17 -6.078 -6.175 7.487 140 HZ1 LYS 17 HZ1 LYS 17 -8.072 -7.444 8.200 141 HZ2 LYS 17 HZ2 LYS 17 -8.735 -7.202 6.658 142 HZ3 LYS 17 HZ3 LYS 17 -8.416 -5.874 7.659 143 H SER 18 H SER 18 -4.836 -9.291 2.733 144 HA SER 18 HA SER 18 -3.534 -11.492 3.876 145 HB2 SER 18 HB2 SER 18 -5.170 -11.383 1.333 146 HB3 SER 18 HB3 SER 18 -4.814 -12.831 2.279 147 HG SER 18 HG SER 18 -6.865 -11.997 2.816 148 H PHE 19 H PHE 19 -2.976 -9.785 0.809 149 HA PHE 19 HA PHE 19 -1.218 -11.707 -0.286 150 HB2 PHE 19 HB2 PHE 19 -2.402 -9.655 -1.382 151 HB3 PHE 19 HB3 PHE 19 -0.969 -8.773 -0.865 152 HD1 PHE 19 HD2 PHE 19 -2.194 -11.525 -2.980 153 HD2 PHE 19 HD1 PHE 19 1.097 -9.006 -2.014 154 HE1 PHE 19 HE2 PHE 19 -1.019 -12.292 -5.002 155 HE2 PHE 19 HE1 PHE 19 2.275 -9.766 -4.036 156 HZ PHE 19 HZ PHE 19 1.217 -11.413 -5.533 157 H VAL 20 H VAL 20 -0.624 -8.741 1.584 158 HA VAL 20 HA VAL 20 2.203 -9.004 1.616 159 HB VAL 20 HB VAL 20 0.297 -7.395 3.313 160 HG11 VAL 20 HG11 VAL 20 3.314 -7.422 3.469 161 HG12 VAL 20 HG12 VAL 20 2.197 -7.932 4.736 162 HG13 VAL 20 HG13 VAL 20 2.264 -6.240 4.247 163 HG21 VAL 20 HG21 VAL 20 1.322 -5.520 2.126 164 HG22 VAL 20 HG22 VAL 20 0.609 -6.680 1.005 165 HG23 VAL 20 HG23 VAL 20 2.358 -6.642 1.246 166 H ARG 21 H ARG 21 -0.345 -10.180 3.744 167 HA ARG 21 HA ARG 21 1.426 -11.054 5.794 168 HB2 ARG 21 HB2 ARG 21 -0.970 -10.681 6.204 169 HB3 ARG 21 HB3 ARG 21 -1.370 -12.001 5.118 170 HG2 ARG 21 HG2 ARG 21 0.387 -12.563 7.457 171 HG3 ARG 21 HG3 ARG 21 -1.342 -12.335 7.722 172 HD2 ARG 21 HD2 ARG 21 -1.872 -14.132 6.231 173 HD3 ARG 21 HD3 ARG 21 -0.193 -14.267 5.718 174 HE ARG 21 HE ARG 21 -0.020 -14.735 8.362 175 HH11 ARG 21 HH11 ARG 21 -2.193 -16.011 5.931 176 HH12 ARG 21 HH12 ARG 21 -2.267 -17.597 6.655 177 HH21 ARG 21 HH21 ARG 21 -0.105 -16.833 9.296 178 HH22 ARG 21 HH22 ARG 21 -1.067 -18.067 8.530 179 H LYS 22 H LYS 22 0.112 -12.554 2.892 180 HA LYS 22 HA LYS 22 0.997 -15.188 3.559 181 HB2 LYS 22 HB2 LYS 22 -0.890 -14.286 1.907 182 HB3 LYS 22 HB3 LYS 22 0.415 -14.422 0.739 183 HG2 LYS 22 HG2 LYS 22 -0.323 -16.712 2.519 184 HG3 LYS 22 HG3 LYS 22 -1.190 -16.393 1.018 185 HD2 LYS 22 HD2 LYS 22 0.928 -16.558 -0.217 186 HD3 LYS 22 HD3 LYS 22 1.767 -16.917 1.294 187 HE2 LYS 22 HE2 LYS 22 0.483 -18.939 1.582 188 HE3 LYS 22 HE3 LYS 22 -0.500 -18.557 0.171 189 HZ1 LYS 22 HZ1 LYS 22 2.425 -19.089 0.099 190 HZ2 LYS 22 HZ2 LYS 22 1.408 -18.827 -1.238 191 HZ3 LYS 22 HZ3 LYS 22 1.218 -20.219 -0.292 192 H TYR 23 H TYR 23 2.149 -12.757 1.195 193 HA TYR 23 HA TYR 23 4.466 -14.470 0.659 194 HB2 TYR 23 HB2 TYR 23 3.356 -12.042 -0.747 195 HB3 TYR 23 HB3 TYR 23 4.899 -12.770 -1.176 196 HD1 TYR 23 HD1 TYR 23 4.955 -15.084 -2.079 197 HD2 TYR 23 HD2 TYR 23 1.300 -12.996 -1.461 198 HE1 TYR 23 HE1 TYR 23 3.811 -16.663 -3.572 199 HE2 TYR 23 HE2 TYR 23 0.143 -14.575 -2.950 200 HH TYR 23 HH TYR 23 0.614 -16.123 -4.718 201 H ARG 24 H ARG 24 3.642 -11.702 2.442 202 HA ARG 24 HA ARG 24 4.744 -10.006 3.431 203 HB2 ARG 24 HB2 ARG 24 6.982 -11.990 3.206 204 HB3 ARG 24 HB3 ARG 24 7.291 -10.364 3.801 205 HG2 ARG 24 HG2 ARG 24 5.523 -12.473 4.999 206 HG3 ARG 24 HG3 ARG 24 6.942 -11.699 5.710 207 HD2 ARG 24 HD2 ARG 24 5.630 -9.515 5.535 208 HD3 ARG 24 HD3 ARG 24 4.225 -10.518 5.201 209 HE ARG 24 HE ARG 24 5.607 -11.285 7.599 210 HH11 ARG 24 HH11 ARG 24 3.206 -9.140 6.234 211 HH12 ARG 24 HH12 ARG 24 2.399 -8.859 7.741 212 HH21 ARG 24 HH21 ARG 24 4.544 -10.937 9.589 213 HH22 ARG 24 HH22 ARG 24 3.141 -9.902 9.654 214 H ARG 25 H ARG 25 4.397 -8.477 2.015 215 HA ARG 25 HA ARG 25 4.645 -6.927 0.419 216 HB2 ARG 25 HB2 ARG 25 6.681 -5.900 0.238 217 HB3 ARG 25 HB3 ARG 25 6.940 -6.832 1.702 218 HG2 ARG 25 HG2 ARG 25 7.885 -8.617 0.051 219 HG3 ARG 25 HG3 ARG 25 8.060 -7.231 -1.028 220 HD2 ARG 25 HD2 ARG 25 9.328 -6.075 0.742 221 HD3 ARG 25 HD3 ARG 25 9.222 -7.527 1.735 222 HE ARG 25 HE ARG 25 10.928 -7.104 -0.561 223 HH11 ARG 25 HH11 ARG 25 9.493 -9.420 1.640 224 HH12 ARG 25 HH12 ARG 25 10.587 -10.698 1.213 225 HH21 ARG 25 HH21 ARG 25 12.369 -8.777 -1.136 226 HH22 ARG 25 HH22 ARG 25 12.219 -10.339 -0.379 227 H PHE 26 H PHE 26 5.488 -6.529 -1.887 228 HA PHE 26 HA PHE 26 5.805 -9.019 -3.354 229 HB2 PHE 26 HB2 PHE 26 4.014 -8.325 -4.977 230 HB3 PHE 26 HB3 PHE 26 3.432 -8.807 -3.393 231 HD1 PHE 26 HD1 PHE 26 3.185 -6.735 -1.699 232 HD2 PHE 26 HD2 PHE 26 3.060 -6.503 -5.945 233 HE1 PHE 26 HE1 PHE 26 1.905 -4.645 -1.544 234 HE2 PHE 26 HE2 PHE 26 1.789 -4.404 -5.794 235 HZ PHE 26 HZ PHE 26 1.212 -3.475 -3.591 236 HA PRO 27 HA PRO 27 8.662 -5.788 -4.804 237 HB2 PRO 27 HB2 PRO 27 10.409 -8.048 -5.428 238 HB3 PRO 27 HB3 PRO 27 10.674 -6.702 -4.319 239 HG2 PRO 27 HG2 PRO 27 10.260 -9.226 -3.450 240 HG3 PRO 27 HG3 PRO 27 9.724 -7.804 -2.538 241 HD2 PRO 27 HD2 PRO 27 8.132 -9.626 -4.309 242 HD3 PRO 27 HD3 PRO 27 7.703 -8.932 -2.729 243 H LYS 28 H LYS 28 7.947 -8.867 -6.432 244 HA LYS 28 HA LYS 28 8.463 -7.529 -9.010 245 HB2 LYS 28 HB2 LYS 28 8.710 -10.464 -8.329 246 HB3 LYS 28 HB3 LYS 28 9.000 -9.758 -9.912 247 HG2 LYS 28 HG2 LYS 28 10.878 -8.510 -9.055 248 HG3 LYS 28 HG3 LYS 28 10.555 -9.094 -7.422 249 HD2 LYS 28 HD2 LYS 28 10.936 -11.403 -8.217 250 HD3 LYS 28 HD3 LYS 28 11.357 -10.758 -9.806 251 HE2 LYS 28 HE2 LYS 28 13.211 -9.519 -8.821 252 HE3 LYS 28 HE3 LYS 28 12.774 -10.119 -7.221 253 HZ1 LYS 28 HZ1 LYS 28 14.592 -11.387 -8.178 254 HZ2 LYS 28 HZ2 LYS 28 13.632 -11.796 -9.517 255 HZ3 LYS 28 HZ3 LYS 28 13.220 -12.362 -7.972 256 H SER 29 H SER 29 5.975 -8.279 -7.153 257 HA SER 29 HA SER 29 4.369 -9.727 -9.083 258 HB2 SER 29 HB2 SER 29 3.536 -8.603 -6.398 259 HB3 SER 29 HB3 SER 29 2.699 -9.834 -7.346 260 HG SER 29 HG SER 29 3.970 -11.293 -6.534 261 H THR 30 H THR 30 3.407 -8.680 -10.679 262 HA THR 30 HA THR 30 2.452 -5.932 -10.184 263 HB THR 30 HB THR 30 4.355 -5.998 -11.756 264 HG1 THR 30 HG1 THR 30 1.845 -5.318 -12.927 265 HG21 THR 30 HG21 THR 30 4.090 -6.994 -13.980 266 HG22 THR 30 HG22 THR 30 2.530 -7.659 -13.494 267 HG23 THR 30 HG23 THR 30 4.009 -8.217 -12.712 268 H GLU 31 H GLU 31 1.158 -8.585 -9.868 269 HA GLU 31 HA GLU 31 -0.720 -8.935 -11.977 270 HB2 GLU 31 HB2 GLU 31 -0.635 -9.986 -9.153 271 HB3 GLU 31 HB3 GLU 31 -1.876 -10.432 -10.312 272 HG2 GLU 31 HG2 GLU 31 -0.109 -11.313 -11.796 273 HG3 GLU 31 HG3 GLU 31 1.072 -10.960 -10.534 274 H GLY 32 H GLY 32 -2.736 -8.213 -12.216 275 HA2 GLY 32 HA2 GLY 32 -4.673 -7.052 -11.895 276 HA3 GLY 32 HA3 GLY 32 -4.495 -7.454 -10.196 277 H ASN 33 H ASN 33 -5.380 -5.477 -9.585 278 HA ASN 33 HA ASN 33 -4.320 -2.981 -10.449 279 HB2 ASN 33 HB2 ASN 33 -5.779 -1.966 -8.893 280 HB3 ASN 33 HB3 ASN 33 -6.629 -3.404 -9.443 281 HD21 ASN 33 HD21 ASN 33 -5.169 -1.783 -6.794 282 HD22 ASN 33 HD22 ASN 33 -5.618 -2.912 -5.568 283 H LEU 34 H LEU 34 -3.445 -5.231 -7.956 284 HA LEU 34 HA LEU 34 -2.078 -3.519 -6.199 285 HB2 LEU 34 HB2 LEU 34 -1.510 -6.405 -6.842 286 HB3 LEU 34 HB3 LEU 34 -0.860 -5.534 -5.477 287 HG LEU 34 HG LEU 34 -3.811 -6.021 -5.893 288 HD11 LEU 34 HD11 LEU 34 -2.687 -8.148 -5.596 289 HD12 LEU 34 HD12 LEU 34 -3.581 -7.724 -4.134 290 HD13 LEU 34 HD13 LEU 34 -1.829 -7.522 -4.187 291 HD21 LEU 34 HD21 LEU 34 -2.250 -5.126 -3.474 292 HD22 LEU 34 HD22 LEU 34 -3.990 -5.405 -3.546 293 HD23 LEU 34 HD23 LEU 34 -3.267 -4.095 -4.481 294 H GLY 35 H GLY 35 -1.044 -5.206 -9.114 295 HA2 GLY 35 HA2 GLY 35 1.703 -4.744 -8.942 296 HA3 GLY 35 HA3 GLY 35 0.808 -4.956 -10.440 297 H GLY 36 H GLY 36 -0.845 -2.725 -10.337 298 HA2 GLY 36 HA2 GLY 36 1.069 -0.659 -11.051 299 HA3 GLY 36 HA3 GLY 36 -0.675 -0.566 -11.241 300 H TRP 37 H TRP 37 -1.046 -1.452 -8.448 301 HA TRP 37 HA TRP 37 -1.427 0.999 -7.186 302 HB2 TRP 37 HB2 TRP 37 -2.341 -1.383 -6.659 303 HB3 TRP 37 HB3 TRP 37 -0.911 -1.523 -5.639 304 HD1 TRP 37 HD1 TRP 37 -4.049 0.656 -6.040 305 HE1 TRP 37 HE1 TRP 37 -4.638 1.649 -3.759 306 HE3 TRP 37 HE3 TRP 37 -0.045 -1.040 -3.357 307 HZ2 TRP 37 HZ2 TRP 37 -3.569 1.705 -1.146 308 HZ3 TRP 37 HZ3 TRP 37 0.096 -0.476 -0.968 309 HH2 TRP 37 HH2 TRP 37 -1.632 0.872 0.114 310 H CYS 38 H CYS 38 1.093 -1.447 -6.535 311 HA CYS 38 HA CYS 38 2.477 0.141 -4.654 312 HB2 CYS 38 HB2 CYS 38 4.298 -1.505 -4.904 313 HB3 CYS 38 HB3 CYS 38 2.729 -2.276 -4.708 314 HG CYS 38 HG CYS 38 3.066 -3.834 -6.702 315 H HIS 39 H HIS 39 2.808 -0.211 -8.122 316 HA HIS 39 HA HIS 39 5.323 1.119 -8.295 317 HB2 HIS 39 HB2 HIS 39 3.295 0.167 -10.284 318 HB3 HIS 39 HB3 HIS 39 4.621 1.197 -10.809 319 HD1 HIS 39 HD1 HIS 39 3.773 -2.266 -10.241 320 HD2 HIS 39 HD2 HIS 39 7.253 0.000 -10.088 321 HE1 HIS 39 HE1 HIS 39 5.663 -3.917 -10.355 322 HE2 HIS 39 HE2 HIS 39 7.745 -2.541 -10.043 323 H THR 40 H THR 40 1.971 2.135 -8.788 324 HA THR 40 HA THR 40 2.528 4.720 -9.768 325 HB THR 40 HB THR 40 0.130 3.709 -8.223 326 HG1 THR 40 HG1 THR 40 0.216 2.587 -10.102 327 HG21 THR 40 HG21 THR 40 -1.084 5.592 -9.227 328 HG22 THR 40 HG22 THR 40 0.424 6.187 -9.923 329 HG23 THR 40 HG23 THR 40 0.218 6.143 -8.171 330 H GLN 41 H GLN 41 2.217 3.443 -6.498 331 HA GLN 41 HA GLN 41 2.288 6.037 -5.292 332 HB2 GLN 41 HB2 GLN 41 2.163 3.240 -4.313 333 HB3 GLN 41 HB3 GLN 41 2.753 4.471 -3.200 334 HG2 GLN 41 HG2 GLN 41 0.751 5.530 -3.078 335 HG3 GLN 41 HG3 GLN 41 0.286 5.073 -4.715 336 HE21 GLN 41 HE21 GLN 41 -0.684 3.128 -5.072 337 HE22 GLN 41 HE22 GLN 41 -1.351 2.170 -3.805 338 H ARG 42 H ARG 42 4.693 4.037 -6.578 339 HA ARG 42 HA ARG 42 6.890 4.781 -4.977 340 HB2 ARG 42 HB2 ARG 42 6.492 3.587 -7.590 341 HB3 ARG 42 HB3 ARG 42 7.826 4.729 -7.620 342 HG2 ARG 42 HG2 ARG 42 8.654 2.529 -7.144 343 HG3 ARG 42 HG3 ARG 42 8.849 3.551 -5.718 344 HD2 ARG 42 HD2 ARG 42 6.823 2.578 -4.751 345 HD3 ARG 42 HD3 ARG 42 6.631 1.558 -6.176 346 HE ARG 42 HE ARG 42 9.168 1.036 -5.199 347 HH11 ARG 42 HH11 ARG 42 5.866 0.755 -4.069 348 HH12 ARG 42 HH12 ARG 42 6.202 -0.569 -3.004 349 HH21 ARG 42 HH21 ARG 42 9.623 -0.726 -3.803 350 HH22 ARG 42 HH22 ARG 42 8.346 -1.414 -2.855 351 H LYS 43 H LYS 43 5.226 6.367 -7.634 352 HA LYS 43 HA LYS 43 7.018 8.580 -7.808 353 HB2 LYS 43 HB2 LYS 43 4.209 8.140 -8.834 354 HB3 LYS 43 HB3 LYS 43 5.096 9.636 -9.107 355 HG2 LYS 43 HG2 LYS 43 5.465 8.441 -11.052 356 HG3 LYS 43 HG3 LYS 43 6.916 8.098 -10.105 357 HD2 LYS 43 HD2 LYS 43 6.314 5.996 -10.854 358 HD3 LYS 43 HD3 LYS 43 5.562 6.045 -9.266 359 HE2 LYS 43 HE2 LYS 43 3.982 5.138 -10.820 360 HE3 LYS 43 HE3 LYS 43 3.445 6.750 -10.349 361 HZ1 LYS 43 HZ1 LYS 43 4.313 7.625 -12.419 362 HZ2 LYS 43 HZ2 LYS 43 3.215 6.373 -12.732 363 HZ3 LYS 43 HZ3 LYS 43 4.882 6.089 -12.864 364 H MET 44 H MET 44 4.032 7.916 -6.092 365 HA MET 44 HA MET 44 3.650 10.579 -5.144 366 HB2 MET 44 HB2 MET 44 2.541 7.952 -4.141 367 HB3 MET 44 HB3 MET 44 2.022 9.532 -3.578 368 HG2 MET 44 HG2 MET 44 1.827 8.630 -6.437 369 HG3 MET 44 HG3 MET 44 0.527 8.460 -5.261 370 HE1 MET 44 HE1 MET 44 1.993 12.393 -7.177 371 HE2 MET 44 HE2 MET 44 2.306 10.771 -7.798 372 HE3 MET 44 HE3 MET 44 3.107 11.322 -6.326 373 H ARG 45 H ARG 45 5.233 7.706 -3.885 374 HA ARG 45 HA ARG 45 5.985 8.699 -1.351 375 HB2 ARG 45 HB2 ARG 45 6.246 6.357 -1.815 376 HB3 ARG 45 HB3 ARG 45 7.253 6.681 -3.217 377 HG2 ARG 45 HG2 ARG 45 8.905 7.718 -1.555 378 HG3 ARG 45 HG3 ARG 45 7.955 6.900 -0.312 379 HD2 ARG 45 HD2 ARG 45 8.353 4.760 -1.370 380 HD3 ARG 45 HD3 ARG 45 9.212 5.543 -2.693 381 HE ARG 45 HE ARG 45 10.184 5.158 0.043 382 HH11 ARG 45 HH11 ARG 45 10.761 6.387 -3.186 383 HH12 ARG 45 HH12 ARG 45 12.479 6.444 -2.992 384 HH21 ARG 45 HH21 ARG 45 12.436 5.217 0.296 385 HH22 ARG 45 HH22 ARG 45 13.447 5.765 -1.016 386 H LYS 46 H LYS 46 7.505 8.773 -4.504 387 HA LYS 46 HA LYS 46 9.933 10.006 -3.830 388 HB2 LYS 46 HB2 LYS 46 9.732 8.905 -5.928 389 HB3 LYS 46 HB3 LYS 46 8.309 9.840 -6.362 390 HG2 LYS 46 HG2 LYS 46 10.022 11.846 -6.148 391 HG3 LYS 46 HG3 LYS 46 11.174 10.558 -6.518 392 HD2 LYS 46 HD2 LYS 46 9.923 9.980 -8.515 393 HD3 LYS 46 HD3 LYS 46 8.713 11.208 -8.132 394 HE2 LYS 46 HE2 LYS 46 10.107 12.187 -9.738 395 HE3 LYS 46 HE3 LYS 46 10.607 12.887 -8.202 396 HZ1 LYS 46 HZ1 LYS 46 12.564 12.309 -9.369 397 HZ2 LYS 46 HZ2 LYS 46 11.982 10.762 -9.748 398 HZ3 LYS 46 HZ3 LYS 46 12.389 11.144 -8.147 399 H GLN 47 H GLN 47 6.937 11.383 -5.161 400 HA GLN 47 HA GLN 47 7.726 14.074 -5.074 401 HB2 GLN 47 HB2 GLN 47 5.671 12.866 -6.175 402 HB3 GLN 47 HB3 GLN 47 4.876 13.252 -4.655 403 HG2 GLN 47 HG2 GLN 47 5.236 15.601 -5.003 404 HG3 GLN 47 HG3 GLN 47 6.197 15.273 -6.445 405 HE21 GLN 47 HE21 GLN 47 5.156 14.480 -8.312 406 HE22 GLN 47 HE22 GLN 47 3.459 14.716 -8.553 407 H GLY 48 H GLY 48 6.393 11.940 -2.654 408 HA2 GLY 48 HA2 GLY 48 6.681 12.162 -0.350 409 HA3 GLY 48 HA3 GLY 48 7.175 13.829 -0.597 410 H LYS 49 H LYS 49 4.209 12.447 -1.881 411 HA LYS 49 HA LYS 49 2.720 14.153 0.010 412 HB2 LYS 49 HB2 LYS 49 1.088 14.595 -1.737 413 HB3 LYS 49 HB3 LYS 49 2.688 15.124 -2.231 414 HG2 LYS 49 HG2 LYS 49 2.853 13.564 -3.878 415 HG3 LYS 49 HG3 LYS 49 1.825 12.404 -3.033 416 HD2 LYS 49 HD2 LYS 49 0.817 14.957 -4.286 417 HD3 LYS 49 HD3 LYS 49 0.788 13.383 -5.084 418 HE2 LYS 49 HE2 LYS 49 -0.606 12.496 -3.273 419 HE3 LYS 49 HE3 LYS 49 -0.583 14.071 -2.484 420 HZ1 LYS 49 HZ1 LYS 49 -1.783 15.021 -4.285 421 HZ2 LYS 49 HZ2 LYS 49 -2.614 13.626 -3.805 422 HZ3 LYS 49 HZ3 LYS 49 -1.667 13.602 -5.209 423 H LEU 50 H LEU 50 3.399 11.121 -0.553 424 HA LEU 50 HA LEU 50 0.980 9.756 -0.906 425 HB2 LEU 50 HB2 LEU 50 3.705 9.147 -0.078 426 HB3 LEU 50 HB3 LEU 50 2.540 8.150 0.760 427 HG LEU 50 HG LEU 50 2.988 8.343 -2.209 428 HD11 LEU 50 HD11 LEU 50 4.592 6.979 -0.977 429 HD12 LEU 50 HD12 LEU 50 3.558 5.984 -2.002 430 HD13 LEU 50 HD13 LEU 50 3.268 6.058 -0.263 431 HD21 LEU 50 HD21 LEU 50 0.882 6.771 -0.736 432 HD22 LEU 50 HD22 LEU 50 1.226 6.682 -2.464 433 HD23 LEU 50 HD23 LEU 50 0.594 8.173 -1.766 434 HA PRO 51 HA PRO 51 -1.271 10.568 2.822 435 HB2 PRO 51 HB2 PRO 51 -2.356 7.835 2.455 436 HB3 PRO 51 HB3 PRO 51 -3.205 9.379 2.580 437 HG2 PRO 51 HG2 PRO 51 -2.974 8.127 0.239 438 HG3 PRO 51 HG3 PRO 51 -2.875 9.893 0.350 439 HD2 PRO 51 HD2 PRO 51 -0.683 7.893 0.009 440 HD3 PRO 51 HD3 PRO 51 -0.871 9.505 -0.706 441 H ASN 52 H ASN 52 -0.763 10.389 4.860 442 HA ASN 52 HA ASN 52 1.112 8.459 5.793 443 HB2 ASN 52 HB2 ASN 52 1.164 10.671 6.720 444 HB3 ASN 52 HB3 ASN 52 -0.518 10.557 7.221 445 HD21 ASN 52 HD21 ASN 52 -1.044 9.491 9.067 446 HD22 ASN 52 HD22 ASN 52 0.125 8.920 10.195 447 H ASP 53 H ASP 53 -2.393 8.881 6.183 448 HA ASP 53 HA ASP 53 -2.811 6.936 8.157 449 HB2 ASP 53 HB2 ASP 53 -4.624 7.687 5.852 450 HB3 ASP 53 HB3 ASP 53 -5.120 6.757 7.262 451 H ARG 54 H ARG 54 -3.114 6.620 4.649 452 HA ARG 54 HA ARG 54 -3.386 3.852 4.492 453 HB2 ARG 54 HB2 ARG 54 -3.870 5.212 2.589 454 HB3 ARG 54 HB3 ARG 54 -2.235 5.859 2.564 455 HG2 ARG 54 HG2 ARG 54 -1.829 3.150 2.332 456 HG3 ARG 54 HG3 ARG 54 -3.295 3.426 1.381 457 HD2 ARG 54 HD2 ARG 54 -1.143 3.661 0.113 458 HD3 ARG 54 HD3 ARG 54 -2.210 5.067 0.050 459 HE ARG 54 HE ARG 54 -0.775 6.062 1.790 460 HH11 ARG 54 HH11 ARG 54 0.509 3.569 -0.291 461 HH12 ARG 54 HH12 ARG 54 2.163 3.964 0.052 462 HH21 ARG 54 HH21 ARG 54 1.385 6.604 2.239 463 HH22 ARG 54 HH22 ARG 54 2.667 5.707 1.488 464 H ARG 55 H ARG 55 -0.504 5.882 4.569 465 HA ARG 55 HA ARG 55 1.472 3.986 4.063 466 HB2 ARG 55 HB2 ARG 55 1.998 6.341 4.212 467 HB3 ARG 55 HB3 ARG 55 1.494 6.388 5.895 468 HG2 ARG 55 HG2 ARG 55 3.363 4.639 6.255 469 HG3 ARG 55 HG3 ARG 55 3.962 5.213 4.697 470 HD2 ARG 55 HD2 ARG 55 3.811 7.539 5.659 471 HD3 ARG 55 HD3 ARG 55 3.554 6.783 7.221 472 HE ARG 55 HE ARG 55 5.761 5.662 6.821 473 HH11 ARG 55 HH11 ARG 55 4.978 8.735 5.319 474 HH12 ARG 55 HH12 ARG 55 6.627 9.276 5.275 475 HH21 ARG 55 HH21 ARG 55 7.937 6.359 6.742 476 HH22 ARG 55 HH22 ARG 55 8.319 7.910 6.044 477 H LEU 56 H LEU 56 0.033 4.989 7.143 478 HA LEU 56 HA LEU 56 1.626 3.260 8.701 479 HB2 LEU 56 HB2 LEU 56 0.413 5.335 9.485 480 HB3 LEU 56 HB3 LEU 56 -1.063 4.388 9.471 481 HG LEU 56 HG LEU 56 -0.098 2.864 11.149 482 HD11 LEU 56 HD11 LEU 56 2.261 3.140 10.561 483 HD12 LEU 56 HD12 LEU 56 1.979 3.428 12.277 484 HD13 LEU 56 HD13 LEU 56 2.222 4.789 11.182 485 HD21 LEU 56 HD21 LEU 56 -1.443 4.786 11.846 486 HD22 LEU 56 HD22 LEU 56 0.017 5.772 11.943 487 HD23 LEU 56 HD23 LEU 56 -0.196 4.401 13.033 488 H LEU 57 H LEU 57 -1.553 2.962 7.208 489 HA LEU 57 HA LEU 57 -2.380 0.585 8.461 490 HB2 LEU 57 HB2 LEU 57 -3.027 1.537 5.669 491 HB3 LEU 57 HB3 LEU 57 -3.897 0.300 6.550 492 HG LEU 57 HG LEU 57 -3.785 3.244 7.185 493 HD11 LEU 57 HD11 LEU 57 -5.280 2.644 5.370 494 HD12 LEU 57 HD12 LEU 57 -6.190 3.141 6.796 495 HD13 LEU 57 HD13 LEU 57 -6.053 1.430 6.389 496 HD21 LEU 57 HD21 LEU 57 -3.723 1.967 9.263 497 HD22 LEU 57 HD22 LEU 57 -5.130 1.040 8.742 498 HD23 LEU 57 HD23 LEU 57 -5.276 2.772 9.048 499 H LEU 58 H LEU 58 -0.281 1.173 5.711 500 HA LEU 58 HA LEU 58 -0.144 -1.545 4.865 501 HB2 LEU 58 HB2 LEU 58 1.811 0.704 4.389 502 HB3 LEU 58 HB3 LEU 58 1.793 -0.832 3.544 503 HG LEU 58 HG LEU 58 -0.291 1.340 3.398 504 HD11 LEU 58 HD11 LEU 58 0.328 1.421 1.046 505 HD12 LEU 58 HD12 LEU 58 1.533 0.160 1.310 506 HD13 LEU 58 HD13 LEU 58 1.726 1.735 2.077 507 HD21 LEU 58 HD21 LEU 58 -1.475 -0.084 1.826 508 HD22 LEU 58 HD22 LEU 58 -1.367 -0.855 3.409 509 HD23 LEU 58 HD23 LEU 58 -0.308 -1.378 2.097 510 H ASP 59 H ASP 59 1.834 0.492 6.955 511 HA ASP 59 HA ASP 59 3.827 -1.429 7.505 512 HB2 ASP 59 HB2 ASP 59 4.184 0.930 7.983 513 HB3 ASP 59 HB3 ASP 59 2.867 0.921 9.150 514 H LYS 60 H LYS 60 0.665 -0.795 8.870 515 HA LYS 60 HA LYS 60 0.752 -2.363 11.156 516 HB2 LYS 60 HB2 LYS 60 -1.388 -1.464 9.276 517 HB3 LYS 60 HB3 LYS 60 -1.780 -2.627 10.524 518 HG2 LYS 60 HG2 LYS 60 -0.527 0.053 11.039 519 HG3 LYS 60 HG3 LYS 60 -2.255 -0.290 11.159 520 HD2 LYS 60 HD2 LYS 60 -1.809 -1.947 12.896 521 HD3 LYS 60 HD3 LYS 60 -0.077 -1.627 12.765 522 HE2 LYS 60 HE2 LYS 60 -0.381 0.626 13.532 523 HE3 LYS 60 HE3 LYS 60 -2.133 0.449 13.495 524 HZ1 LYS 60 HZ1 LYS 60 -1.938 -1.251 15.229 525 HZ2 LYS 60 HZ2 LYS 60 -1.319 0.245 15.741 526 HZ3 LYS 60 HZ3 LYS 60 -0.259 -1.002 15.292 527 H ILE 61 H ILE 61 -0.146 -3.284 7.822 528 HA ILE 61 HA ILE 61 -0.615 -6.012 8.588 529 HB ILE 61 HB ILE 61 -0.841 -6.450 6.147 530 HG12 ILE 61 HG12 ILE 61 -0.447 -3.458 5.894 531 HG13 ILE 61 HG13 ILE 61 0.709 -4.675 5.364 532 HG21 ILE 61 HG21 ILE 61 -2.465 -4.169 7.261 533 HG22 ILE 61 HG22 ILE 61 -2.764 -5.889 7.515 534 HG23 ILE 61 HG23 ILE 61 -2.932 -5.192 5.903 535 HD11 ILE 61 HD11 ILE 61 -2.075 -4.307 4.290 536 HD12 ILE 61 HD12 ILE 61 -0.912 -5.518 3.753 537 HD13 ILE 61 HD13 ILE 61 -0.581 -3.803 3.502 538 H GLY 62 H GLY 62 2.166 -4.235 7.926 539 HA2 GLY 62 HA2 GLY 62 4.248 -5.308 8.517 540 HA3 GLY 62 HA3 GLY 62 3.653 -6.774 7.756 541 H PHE 63 H PHE 63 2.988 -3.964 5.955 542 HA PHE 63 HA PHE 63 4.795 -4.756 3.882 543 HB2 PHE 63 HB2 PHE 63 2.608 -3.677 3.411 544 HB3 PHE 63 HB3 PHE 63 3.196 -2.196 4.156 545 HD1 PHE 63 HD2 PHE 63 3.702 -4.512 1.320 546 HD2 PHE 63 HD1 PHE 63 4.491 -0.656 2.935 547 HE1 PHE 63 HE2 PHE 63 4.598 -3.790 -0.854 548 HE2 PHE 63 HE1 PHE 63 5.392 0.076 0.766 549 HZ PHE 63 HZ PHE 63 5.448 -1.491 -1.132 550 H VAL 64 H VAL 64 6.833 -4.202 3.628 551 HA VAL 64 HA VAL 64 8.037 -2.434 5.561 552 HB VAL 64 HB VAL 64 9.048 -4.619 5.070 553 HG11 VAL 64 HG11 VAL 64 8.530 -4.838 2.721 554 HG12 VAL 64 HG12 VAL 64 10.270 -4.977 2.968 555 HG13 VAL 64 HG13 VAL 64 9.588 -3.479 2.334 556 HG21 VAL 64 HG21 VAL 64 10.764 -2.252 4.344 557 HG22 VAL 64 HG22 VAL 64 11.373 -3.840 4.805 558 HG23 VAL 64 HG23 VAL 64 10.457 -2.878 5.965 559 H TRP 65 H TRP 65 8.862 -0.469 5.182 560 HA TRP 65 HA TRP 65 8.284 0.721 2.584 561 HB2 TRP 65 HB2 TRP 65 8.945 1.884 5.282 562 HB3 TRP 65 HB3 TRP 65 8.894 2.873 3.823 563 HD1 TRP 65 HD1 TRP 65 6.689 1.486 6.483 564 HE1 TRP 65 HE1 TRP 65 4.219 1.951 5.914 565 HE3 TRP 65 HE3 TRP 65 7.249 2.977 1.635 566 HZ2 TRP 65 HZ2 TRP 65 2.711 2.830 3.689 567 HZ3 TRP 65 HZ3 TRP 65 5.251 3.609 0.350 568 HH2 TRP 65 HH2 TRP 65 3.026 3.536 1.361 569 H SER 66 H SER 66 10.612 -1.071 3.301 570 HA SER 66 HA SER 66 12.639 -1.428 2.364 571 HB2 SER 66 HB2 SER 66 12.384 1.307 1.095 572 HB3 SER 66 HB3 SER 66 13.456 -0.002 0.595 573 HG SER 66 HG SER 66 10.705 -0.496 0.729 574 H LEU 67 H LEU 67 14.421 -1.453 3.532 575 HA LEU 67 HA LEU 67 15.106 0.662 5.328 576 HB2 LEU 67 HB2 LEU 67 16.464 -1.898 4.523 577 HB3 LEU 67 HB3 LEU 67 17.278 -0.723 5.537 578 HG LEU 67 HG LEU 67 15.351 -0.923 7.151 579 HD11 LEU 67 HD11 LEU 67 14.670 -3.324 5.465 580 HD12 LEU 67 HD12 LEU 67 13.699 -1.860 5.621 581 HD13 LEU 67 HD13 LEU 67 13.950 -2.905 7.019 582 HD21 LEU 67 HD21 LEU 67 16.942 -3.422 6.597 583 HD22 LEU 67 HD22 LEU 67 16.164 -3.000 8.123 584 HD23 LEU 67 HD23 LEU 67 17.500 -2.022 7.514 585 H GLU 68 H GLU 68 17.848 0.951 5.100 586 HA GLU 68 HA GLU 68 19.216 2.540 4.229 587 HB2 GLU 68 HB2 GLU 68 19.612 0.901 2.465 588 HB3 GLU 68 HB3 GLU 68 18.169 1.428 1.613 589 HG2 GLU 68 HG2 GLU 68 20.261 2.258 0.613 590 HG3 GLU 68 HG3 GLU 68 19.169 3.548 1.110 591 H HIS 69 H HIS 69 17.842 4.071 5.241 592 HA HIS 69 HA HIS 69 15.964 5.456 3.439 593 HB2 HIS 69 HB2 HIS 69 15.159 4.051 5.520 594 HB3 HIS 69 HB3 HIS 69 15.659 5.476 6.420 595 HD1 HIS 69 HD1 HIS 69 12.833 4.057 4.739 596 HD2 HIS 69 HD2 HIS 69 14.248 7.910 5.393 597 HE1 HIS 69 HE1 HIS 69 10.862 5.570 4.362 598 HE2 HIS 69 HE2 HIS 69 11.688 7.867 4.986 599 H HIS 70 H HIS 70 16.646 7.452 2.954 600 HA HIS 70 HA HIS 70 18.326 8.866 4.905 601 HB2 HIS 70 HB2 HIS 70 19.059 10.283 2.987 602 HB3 HIS 70 HB3 HIS 70 19.487 8.588 2.817 603 HD1 HIS 70 HD1 HIS 70 18.662 7.378 0.783 604 HD2 HIS 70 HD2 HIS 70 16.961 11.152 1.217 605 HE1 HIS 70 HE1 HIS 70 17.420 7.815 -1.361 606 HE2 HIS 70 HE2 HIS 70 16.594 10.185 -1.161 607 H HIS 71 H HIS 71 18.040 11.197 5.091 608 HA HIS 71 HA HIS 71 15.186 11.890 4.972 609 HB2 HIS 71 HB2 HIS 71 17.418 12.651 6.805 610 HB3 HIS 71 HB3 HIS 71 16.080 13.772 6.588 611 HD1 HIS 71 HD1 HIS 71 16.834 10.305 7.895 612 HD2 HIS 71 HD2 HIS 71 13.737 13.085 7.859 613 HE1 HIS 71 HE1 HIS 71 15.124 9.444 9.529 614 HE2 HIS 71 HE2 HIS 71 13.186 11.048 9.354 615 H HIS 72 H HIS 72 14.477 13.766 4.084 616 HA HIS 72 HA HIS 72 16.137 15.900 3.232 617 HB2 HIS 72 HB2 HIS 72 16.339 13.794 1.511 618 HB3 HIS 72 HB3 HIS 72 14.966 14.651 0.817 619 HD1 HIS 72 HD1 HIS 72 15.467 16.754 -0.519 620 HD2 HIS 72 HD2 HIS 72 18.761 15.320 1.584 621 HE1 HIS 72 HE1 HIS 72 17.440 18.068 -1.359 622 HE2 HIS 72 HE2 HIS 72 19.382 17.314 0.055 623 H HIS 73 H HIS 73 14.854 17.693 2.808 624 HA HIS 73 HA HIS 73 12.075 17.377 2.159 625 HB2 HIS 73 HB2 HIS 73 11.326 18.655 4.261 626 HB3 HIS 73 HB3 HIS 73 11.656 16.937 4.410 627 HD1 HIS 73 HD1 HIS 73 12.832 16.422 6.510 628 HD2 HIS 73 HD2 HIS 73 13.908 20.160 5.033 629 HE1 HIS 73 HE1 HIS 73 14.491 17.353 8.154 630 HE2 HIS 73 HE2 HIS 73 14.952 19.694 7.350 631 H HIS 74 H HIS 74 13.038 18.641 0.435 632 HA HIS 74 HA HIS 74 12.254 21.355 0.746 633 HB2 HIS 74 HB2 HIS 74 14.609 21.412 1.662 634 HB3 HIS 74 HB3 HIS 74 15.174 20.926 0.066 635 HD1 HIS 74 HD1 HIS 74 16.115 22.917 -1.072 636 HD2 HIS 74 HD2 HIS 74 12.719 23.852 1.139 637 HE1 HIS 74 HE1 HIS 74 15.681 25.355 -1.495 638 HE2 HIS 74 HE2 HIS 74 13.510 25.845 -0.306 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -14.264 14.800 0.061 2 H2 MET 1 H2 MET 1 -14.929 15.442 -1.359 3 H3 MET 1 H3 MET 1 -13.250 15.458 -1.132 4 HA MET 1 HA MET 1 -13.213 13.034 -1.160 5 HB2 MET 1 HB2 MET 1 -16.146 13.391 -1.815 6 HB3 MET 1 HB3 MET 1 -15.264 11.887 -2.025 7 HG2 MET 1 HG2 MET 1 -14.832 11.806 0.375 8 HG3 MET 1 HG3 MET 1 -15.718 13.317 0.583 9 HE1 MET 1 HE1 MET 1 -16.396 10.689 2.249 10 HE2 MET 1 HE2 MET 1 -18.159 10.710 2.175 11 HE3 MET 1 HE3 MET 1 -17.266 12.213 2.414 12 H ASN 2 H ASN 2 -11.937 12.880 -2.893 13 HA ASN 2 HA ASN 2 -12.412 14.216 -5.358 14 HB2 ASN 2 HB2 ASN 2 -10.551 11.983 -4.563 15 HB3 ASN 2 HB3 ASN 2 -10.661 12.537 -6.229 16 HD21 ASN 2 HD21 ASN 2 -8.578 13.270 -6.304 17 HD22 ASN 2 HD22 ASN 2 -8.038 14.669 -5.430 18 H GLN 3 H GLN 3 -12.956 10.925 -4.223 19 HA GLN 3 HA GLN 3 -14.857 10.523 -6.424 20 HB2 GLN 3 HB2 GLN 3 -12.768 8.501 -5.580 21 HB3 GLN 3 HB3 GLN 3 -14.038 8.224 -6.763 22 HG2 GLN 3 HG2 GLN 3 -13.068 9.958 -8.197 23 HG3 GLN 3 HG3 GLN 3 -11.786 10.205 -7.015 24 HE21 GLN 3 HE21 GLN 3 -13.078 8.121 -9.455 25 HE22 GLN 3 HE22 GLN 3 -11.697 7.080 -9.591 26 H ASN 4 H ASN 4 -16.637 9.254 -5.873 27 HA ASN 4 HA ASN 4 -16.726 8.392 -3.050 28 HB2 ASN 4 HB2 ASN 4 -19.012 9.009 -2.907 29 HB3 ASN 4 HB3 ASN 4 -18.210 10.361 -3.697 30 HD21 ASN 4 HD21 ASN 4 -18.519 10.659 -5.957 31 HD22 ASN 4 HD22 ASN 4 -19.909 9.988 -6.752 32 H LEU 5 H LEU 5 -17.085 7.502 -6.331 33 HA LEU 5 HA LEU 5 -18.143 4.874 -5.526 34 HB2 LEU 5 HB2 LEU 5 -18.273 6.266 -8.204 35 HB3 LEU 5 HB3 LEU 5 -18.784 4.612 -7.924 36 HG LEU 5 HG LEU 5 -20.012 7.058 -6.647 37 HD11 LEU 5 HD11 LEU 5 -21.927 6.576 -8.070 38 HD12 LEU 5 HD12 LEU 5 -21.047 5.243 -8.817 39 HD13 LEU 5 HD13 LEU 5 -20.486 6.901 -9.034 40 HD21 LEU 5 HD21 LEU 5 -20.790 4.145 -6.516 41 HD22 LEU 5 HD22 LEU 5 -21.740 5.485 -5.876 42 HD23 LEU 5 HD23 LEU 5 -20.157 5.120 -5.190 43 H GLN 6 H GLN 6 -17.225 3.027 -6.502 44 HA GLN 6 HA GLN 6 -15.529 1.671 -7.112 45 HB2 GLN 6 HB2 GLN 6 -14.607 4.075 -8.693 46 HB3 GLN 6 HB3 GLN 6 -13.926 2.461 -8.837 47 HG2 GLN 6 HG2 GLN 6 -16.165 1.640 -9.521 48 HG3 GLN 6 HG3 GLN 6 -16.732 3.311 -9.509 49 HE21 GLN 6 HE21 GLN 6 -15.999 4.737 -11.076 50 HE22 GLN 6 HE22 GLN 6 -15.247 4.186 -12.534 51 H GLY 7 H GLY 7 -15.298 2.673 -4.640 52 HA2 GLY 7 HA2 GLY 7 -12.726 3.790 -4.106 53 HA3 GLY 7 HA3 GLY 7 -13.779 2.999 -2.938 54 H GLU 8 H GLU 8 -11.600 2.318 -5.627 55 HA GLU 8 HA GLU 8 -11.351 -0.430 -5.315 56 HB2 GLU 8 HB2 GLU 8 -10.527 1.149 -7.193 57 HB3 GLU 8 HB3 GLU 8 -9.070 1.304 -6.223 58 HG2 GLU 8 HG2 GLU 8 -8.594 -0.367 -7.784 59 HG3 GLU 8 HG3 GLU 8 -8.939 -1.229 -6.284 60 H TRP 9 H TRP 9 -9.908 2.153 -3.514 61 HA TRP 9 HA TRP 9 -7.659 0.912 -2.440 62 HB2 TRP 9 HB2 TRP 9 -8.080 3.294 -2.208 63 HB3 TRP 9 HB3 TRP 9 -9.498 2.982 -1.227 64 HD1 TRP 9 HD1 TRP 9 -8.679 4.224 0.911 65 HE1 TRP 9 HE1 TRP 9 -6.836 3.781 2.649 66 HE3 TRP 9 HE3 TRP 9 -6.081 0.571 -1.572 67 HZ2 TRP 9 HZ2 TRP 9 -4.604 2.088 2.936 68 HZ3 TRP 9 HZ3 TRP 9 -4.112 -0.416 -0.478 69 HH2 TRP 9 HH2 TRP 9 -3.390 0.329 1.729 70 H MET 10 H MET 10 -11.026 0.850 -1.346 71 HA MET 10 HA MET 10 -10.617 -0.484 1.092 72 HB2 MET 10 HB2 MET 10 -12.758 0.568 0.398 73 HB3 MET 10 HB3 MET 10 -13.003 -0.742 -0.742 74 HG2 MET 10 HG2 MET 10 -14.319 -1.275 1.114 75 HG3 MET 10 HG3 MET 10 -12.900 -2.311 1.235 76 HE1 MET 10 HE1 MET 10 -10.612 -0.809 2.542 77 HE2 MET 10 HE2 MET 10 -11.239 -2.307 3.229 78 HE3 MET 10 HE3 MET 10 -10.968 -0.906 4.266 79 H LYS 11 H LYS 11 -11.103 -1.685 -2.163 80 HA LYS 11 HA LYS 11 -11.196 -4.442 -1.497 81 HB2 LYS 11 HB2 LYS 11 -12.142 -3.681 -3.565 82 HB3 LYS 11 HB3 LYS 11 -10.622 -2.948 -4.053 83 HG2 LYS 11 HG2 LYS 11 -9.641 -5.261 -4.090 84 HG3 LYS 11 HG3 LYS 11 -11.288 -5.871 -3.884 85 HD2 LYS 11 HD2 LYS 11 -10.233 -4.178 -6.146 86 HD3 LYS 11 HD3 LYS 11 -10.780 -5.857 -6.227 87 HE2 LYS 11 HE2 LYS 11 -13.025 -5.179 -5.663 88 HE3 LYS 11 HE3 LYS 11 -12.507 -3.514 -5.459 89 HZ1 LYS 11 HZ1 LYS 11 -13.607 -4.183 -7.651 90 HZ2 LYS 11 HZ2 LYS 11 -12.111 -4.887 -8.038 91 HZ3 LYS 11 HZ3 LYS 11 -12.209 -3.226 -7.705 92 H ASN 12 H ASN 12 -8.720 -2.480 -3.097 93 HA ASN 12 HA ASN 12 -6.672 -4.342 -3.191 94 HB2 ASN 12 HB2 ASN 12 -6.553 -1.332 -2.958 95 HB3 ASN 12 HB3 ASN 12 -5.133 -2.330 -3.229 96 HD21 ASN 12 HD21 ASN 12 -6.254 -0.280 -4.920 97 HD22 ASN 12 HD22 ASN 12 -6.629 -1.037 -6.427 98 H TYR 13 H TYR 13 -7.702 -2.318 -0.539 99 HA TYR 13 HA TYR 13 -5.501 -2.567 1.158 100 HB2 TYR 13 HB2 TYR 13 -7.421 -1.044 1.527 101 HB3 TYR 13 HB3 TYR 13 -8.428 -2.431 1.922 102 HD1 TYR 13 HD1 TYR 13 -5.200 -0.862 2.972 103 HD2 TYR 13 HD2 TYR 13 -8.706 -2.959 4.154 104 HE1 TYR 13 HE1 TYR 13 -4.521 -0.658 5.325 105 HE2 TYR 13 HE2 TYR 13 -8.037 -2.762 6.511 106 HH TYR 13 HH TYR 13 -5.624 -0.665 7.565 107 H GLU 14 H GLU 14 -8.464 -4.564 1.063 108 HA GLU 14 HA GLU 14 -7.574 -6.409 3.011 109 HB2 GLU 14 HB2 GLU 14 -9.667 -6.668 0.849 110 HB3 GLU 14 HB3 GLU 14 -9.389 -7.886 2.084 111 HG2 GLU 14 HG2 GLU 14 -10.264 -5.041 2.552 112 HG3 GLU 14 HG3 GLU 14 -11.266 -6.486 2.686 113 H GLU 15 H GLU 15 -7.298 -6.334 -0.490 114 HA GLU 15 HA GLU 15 -6.300 -8.952 -0.841 115 HB2 GLU 15 HB2 GLU 15 -7.185 -7.456 -2.649 116 HB3 GLU 15 HB3 GLU 15 -5.708 -6.513 -2.532 117 HG2 GLU 15 HG2 GLU 15 -5.408 -7.948 -4.363 118 HG3 GLU 15 HG3 GLU 15 -4.460 -8.648 -3.052 119 H LEU 16 H LEU 16 -4.712 -5.820 -0.377 120 HA LEU 16 HA LEU 16 -2.057 -6.751 -0.620 121 HB2 LEU 16 HB2 LEU 16 -2.741 -4.380 -0.820 122 HB3 LEU 16 HB3 LEU 16 -3.076 -4.347 0.899 123 HG LEU 16 HG LEU 16 -0.682 -4.829 1.340 124 HD11 LEU 16 HD11 LEU 16 -0.128 -5.950 -0.741 125 HD12 LEU 16 HD12 LEU 16 0.934 -4.568 -0.478 126 HD13 LEU 16 HD13 LEU 16 -0.391 -4.454 -1.636 127 HD21 LEU 16 HD21 LEU 16 -1.509 -2.546 1.402 128 HD22 LEU 16 HD22 LEU 16 -1.238 -2.384 -0.334 129 HD23 LEU 16 HD23 LEU 16 0.131 -2.595 0.758 130 H LYS 17 H LYS 17 -4.187 -6.327 2.179 131 HA LYS 17 HA LYS 17 -2.428 -6.849 4.253 132 HB2 LYS 17 HB2 LYS 17 -5.293 -7.746 3.938 133 HB3 LYS 17 HB3 LYS 17 -4.394 -7.840 5.443 134 HG2 LYS 17 HG2 LYS 17 -4.317 -5.515 5.666 135 HG3 LYS 17 HG3 LYS 17 -4.794 -5.258 3.985 136 HD2 LYS 17 HD2 LYS 17 -6.651 -4.827 5.489 137 HD3 LYS 17 HD3 LYS 17 -6.987 -6.203 4.449 138 HE2 LYS 17 HE2 LYS 17 -6.377 -7.723 6.271 139 HE3 LYS 17 HE3 LYS 17 -6.057 -6.338 7.315 140 HZ1 LYS 17 HZ1 LYS 17 -8.281 -7.368 7.630 141 HZ2 LYS 17 HZ2 LYS 17 -8.693 -6.873 6.060 142 HZ3 LYS 17 HZ3 LYS 17 -8.334 -5.719 7.245 143 H SER 18 H SER 18 -4.501 -9.200 2.613 144 HA SER 18 HA SER 18 -3.352 -11.479 3.774 145 HB2 SER 18 HB2 SER 18 -4.788 -11.259 1.118 146 HB3 SER 18 HB3 SER 18 -4.559 -12.734 2.062 147 HG SER 18 HG SER 18 -6.463 -10.847 2.305 148 H PHE 19 H PHE 19 -2.531 -9.702 0.847 149 HA PHE 19 HA PHE 19 -0.815 -11.619 -0.290 150 HB2 PHE 19 HB2 PHE 19 -1.794 -9.471 -1.322 151 HB3 PHE 19 HB3 PHE 19 -0.434 -8.644 -0.571 152 HD1 PHE 19 HD1 PHE 19 -1.191 -11.528 -2.796 153 HD2 PHE 19 HD2 PHE 19 1.535 -8.430 -1.764 154 HE1 PHE 19 HE1 PHE 19 0.202 -12.107 -4.742 155 HE2 PHE 19 HE2 PHE 19 2.930 -9.005 -3.703 156 HZ PHE 19 HZ PHE 19 2.266 -10.847 -5.197 157 H VAL 20 H VAL 20 -0.115 -8.830 1.822 158 HA VAL 20 HA VAL 20 2.666 -9.446 2.055 159 HB VAL 20 HB VAL 20 0.930 -7.730 3.850 160 HG11 VAL 20 HG11 VAL 20 3.016 -8.449 4.929 161 HG12 VAL 20 HG12 VAL 20 3.006 -6.715 4.600 162 HG13 VAL 20 HG13 VAL 20 3.934 -7.805 3.567 163 HG21 VAL 20 HG21 VAL 20 2.697 -6.976 1.524 164 HG22 VAL 20 HG22 VAL 20 1.855 -5.847 2.588 165 HG23 VAL 20 HG23 VAL 20 0.933 -6.936 1.551 166 H ARG 21 H ARG 21 -0.199 -10.133 3.966 167 HA ARG 21 HA ARG 21 0.933 -11.211 6.256 168 HB2 ARG 21 HB2 ARG 21 -1.395 -10.757 6.190 169 HB3 ARG 21 HB3 ARG 21 -1.636 -11.791 4.791 170 HG2 ARG 21 HG2 ARG 21 -1.224 -13.760 6.161 171 HG3 ARG 21 HG3 ARG 21 -0.937 -12.730 7.568 172 HD2 ARG 21 HD2 ARG 21 -3.184 -11.939 7.538 173 HD3 ARG 21 HD3 ARG 21 -3.497 -12.698 5.980 174 HE ARG 21 HE ARG 21 -2.914 -14.832 7.454 175 HH11 ARG 21 HH11 ARG 21 -4.971 -12.083 8.168 176 HH12 ARG 21 HH12 ARG 21 -6.058 -13.000 9.172 177 HH21 ARG 21 HH21 ARG 21 -4.348 -16.037 8.766 178 HH22 ARG 21 HH22 ARG 21 -5.698 -15.240 9.525 179 H LYS 22 H LYS 22 0.139 -12.845 3.201 180 HA LYS 22 HA LYS 22 1.199 -15.336 4.288 181 HB2 LYS 22 HB2 LYS 22 -0.967 -15.370 3.122 182 HB3 LYS 22 HB3 LYS 22 -0.181 -14.800 1.657 183 HG2 LYS 22 HG2 LYS 22 1.188 -16.838 1.618 184 HG3 LYS 22 HG3 LYS 22 0.330 -17.421 3.045 185 HD2 LYS 22 HD2 LYS 22 -1.774 -17.368 1.802 186 HD3 LYS 22 HD3 LYS 22 -0.916 -16.774 0.378 187 HE2 LYS 22 HE2 LYS 22 0.441 -18.831 0.367 188 HE3 LYS 22 HE3 LYS 22 -0.487 -19.431 1.741 189 HZ1 LYS 22 HZ1 LYS 22 -1.338 -20.368 -0.281 190 HZ2 LYS 22 HZ2 LYS 22 -1.536 -18.834 -0.973 191 HZ3 LYS 22 HZ3 LYS 22 -2.493 -19.294 0.346 192 H TYR 23 H TYR 23 1.787 -13.160 1.509 193 HA TYR 23 HA TYR 23 4.028 -14.892 0.736 194 HB2 TYR 23 HB2 TYR 23 2.648 -12.706 -0.833 195 HB3 TYR 23 HB3 TYR 23 3.933 -13.747 -1.439 196 HD1 TYR 23 HD2 TYR 23 3.489 -16.221 -1.643 197 HD2 TYR 23 HD1 TYR 23 0.395 -13.401 -0.875 198 HE1 TYR 23 HE2 TYR 23 1.814 -17.870 -2.357 199 HE2 TYR 23 HE1 TYR 23 -1.287 -15.049 -1.582 200 HH TYR 23 HH TYR 23 -1.473 -17.036 -2.911 201 H ARG 24 H ARG 24 3.401 -11.941 2.236 202 HA ARG 24 HA ARG 24 4.652 -10.196 2.914 203 HB2 ARG 24 HB2 ARG 24 6.731 -12.265 2.434 204 HB3 ARG 24 HB3 ARG 24 7.274 -10.601 2.617 205 HG2 ARG 24 HG2 ARG 24 5.542 -12.072 4.592 206 HG3 ARG 24 HG3 ARG 24 7.289 -11.844 4.737 207 HD2 ARG 24 HD2 ARG 24 7.026 -9.463 4.841 208 HD3 ARG 24 HD3 ARG 24 5.306 -9.590 4.487 209 HE ARG 24 HE ARG 24 5.210 -10.843 6.703 210 HH11 ARG 24 HH11 ARG 24 7.585 -8.373 5.994 211 HH12 ARG 24 HH12 ARG 24 7.657 -7.778 7.626 212 HH21 ARG 24 HH21 ARG 24 5.297 -10.082 8.866 213 HH22 ARG 24 HH22 ARG 24 6.361 -8.760 9.264 214 H ARG 25 H ARG 25 3.976 -8.743 1.518 215 HA ARG 25 HA ARG 25 3.916 -7.245 -0.149 216 HB2 ARG 25 HB2 ARG 25 5.814 -5.961 -0.484 217 HB3 ARG 25 HB3 ARG 25 6.094 -6.686 1.087 218 HG2 ARG 25 HG2 ARG 25 7.222 -8.129 -1.227 219 HG3 ARG 25 HG3 ARG 25 7.933 -6.559 -0.861 220 HD2 ARG 25 HD2 ARG 25 8.254 -7.331 1.487 221 HD3 ARG 25 HD3 ARG 25 7.693 -8.928 0.990 222 HE ARG 25 HE ARG 25 10.262 -7.713 0.423 223 HH11 ARG 25 HH11 ARG 25 7.966 -10.219 -0.443 224 HH12 ARG 25 HH12 ARG 25 9.168 -11.247 -1.160 225 HH21 ARG 25 HH21 ARG 25 11.843 -9.064 -0.509 226 HH22 ARG 25 HH22 ARG 25 11.371 -10.572 -1.231 227 H PHE 26 H PHE 26 5.274 -6.682 -2.402 228 HA PHE 26 HA PHE 26 4.322 -8.712 -4.157 229 HB2 PHE 26 HB2 PHE 26 6.054 -6.327 -4.828 230 HB3 PHE 26 HB3 PHE 26 5.062 -7.257 -5.946 231 HD1 PHE 26 HD1 PHE 26 2.565 -7.188 -5.685 232 HD2 PHE 26 HD2 PHE 26 5.168 -4.514 -3.641 233 HE1 PHE 26 HE1 PHE 26 0.683 -5.653 -5.303 234 HE2 PHE 26 HE2 PHE 26 3.287 -2.974 -3.249 235 HZ PHE 26 HZ PHE 26 1.039 -3.544 -4.083 236 HA PRO 27 HA PRO 27 8.037 -11.164 -4.632 237 HB2 PRO 27 HB2 PRO 27 7.593 -11.923 -7.255 238 HB3 PRO 27 HB3 PRO 27 6.911 -12.737 -5.845 239 HG2 PRO 27 HG2 PRO 27 5.655 -10.743 -7.678 240 HG3 PRO 27 HG3 PRO 27 4.939 -12.171 -6.909 241 HD2 PRO 27 HD2 PRO 27 4.489 -9.679 -6.000 242 HD3 PRO 27 HD3 PRO 27 4.590 -11.074 -4.906 243 H LYS 28 H LYS 28 7.065 -9.171 -7.407 244 HA LYS 28 HA LYS 28 9.436 -7.576 -7.214 245 HB2 LYS 28 HB2 LYS 28 10.102 -9.671 -8.559 246 HB3 LYS 28 HB3 LYS 28 9.044 -9.048 -9.820 247 HG2 LYS 28 HG2 LYS 28 10.382 -6.960 -9.847 248 HG3 LYS 28 HG3 LYS 28 11.482 -7.696 -8.682 249 HD2 LYS 28 HD2 LYS 28 10.876 -8.782 -11.432 250 HD3 LYS 28 HD3 LYS 28 12.311 -7.850 -10.998 251 HE2 LYS 28 HE2 LYS 28 12.881 -9.607 -9.337 252 HE3 LYS 28 HE3 LYS 28 11.506 -10.550 -9.918 253 HZ1 LYS 28 HZ1 LYS 28 13.505 -11.307 -10.978 254 HZ2 LYS 28 HZ2 LYS 28 13.888 -9.741 -11.498 255 HZ3 LYS 28 HZ3 LYS 28 12.536 -10.541 -12.138 256 H SER 29 H SER 29 6.715 -7.124 -6.926 257 HA SER 29 HA SER 29 5.144 -5.570 -7.407 258 HB2 SER 29 HB2 SER 29 7.128 -4.583 -9.474 259 HB3 SER 29 HB3 SER 29 5.711 -3.705 -8.902 260 HG SER 29 HG SER 29 8.049 -3.510 -7.893 261 H THR 30 H THR 30 3.987 -4.546 -9.515 262 HA THR 30 HA THR 30 2.494 -4.926 -11.135 263 HB THR 30 HB THR 30 4.371 -6.850 -12.443 264 HG1 THR 30 HG1 THR 30 5.829 -5.247 -12.832 265 HG21 THR 30 HG21 THR 30 2.778 -4.465 -13.359 266 HG22 THR 30 HG22 THR 30 2.321 -6.155 -13.573 267 HG23 THR 30 HG23 THR 30 3.739 -5.511 -14.404 268 H GLU 31 H GLU 31 1.859 -6.429 -8.978 269 HA GLU 31 HA GLU 31 0.947 -8.963 -10.157 270 HB2 GLU 31 HB2 GLU 31 1.508 -8.220 -7.288 271 HB3 GLU 31 HB3 GLU 31 0.553 -9.631 -7.718 272 HG2 GLU 31 HG2 GLU 31 3.412 -9.113 -8.499 273 HG3 GLU 31 HG3 GLU 31 2.845 -10.245 -7.271 274 H GLY 32 H GLY 32 -1.019 -8.723 -10.919 275 HA2 GLY 32 HA2 GLY 32 -3.280 -8.346 -10.999 276 HA3 GLY 32 HA3 GLY 32 -3.236 -8.434 -9.247 277 H ASN 33 H ASN 33 -4.710 -6.876 -8.863 278 HA ASN 33 HA ASN 33 -4.747 -4.319 -10.116 279 HB2 ASN 33 HB2 ASN 33 -6.586 -5.650 -8.762 280 HB3 ASN 33 HB3 ASN 33 -5.893 -4.802 -7.386 281 HD21 ASN 33 HD21 ASN 33 -8.534 -4.572 -8.391 282 HD22 ASN 33 HD22 ASN 33 -8.771 -2.925 -8.866 283 H LEU 34 H LEU 34 -3.310 -5.667 -7.250 284 HA LEU 34 HA LEU 34 -2.501 -3.356 -5.901 285 HB2 LEU 34 HB2 LEU 34 -1.173 -6.061 -6.058 286 HB3 LEU 34 HB3 LEU 34 -0.786 -4.822 -4.885 287 HG LEU 34 HG LEU 34 -3.481 -6.163 -5.120 288 HD11 LEU 34 HD11 LEU 34 -2.848 -7.378 -3.104 289 HD12 LEU 34 HD12 LEU 34 -1.247 -6.641 -3.151 290 HD13 LEU 34 HD13 LEU 34 -1.747 -7.745 -4.432 291 HD21 LEU 34 HD21 LEU 34 -3.876 -5.159 -2.917 292 HD22 LEU 34 HD22 LEU 34 -3.606 -3.935 -4.159 293 HD23 LEU 34 HD23 LEU 34 -2.316 -4.336 -3.023 294 H GLY 35 H GLY 35 -1.094 -5.092 -8.603 295 HA2 GLY 35 HA2 GLY 35 1.436 -3.874 -8.655 296 HA3 GLY 35 HA3 GLY 35 0.606 -4.547 -10.050 297 H GLY 36 H GLY 36 -1.647 -2.851 -10.021 298 HA2 GLY 36 HA2 GLY 36 -0.531 -0.534 -11.314 299 HA3 GLY 36 HA3 GLY 36 -2.240 -0.898 -11.114 300 H TRP 37 H TRP 37 -2.141 -1.255 -8.303 301 HA TRP 37 HA TRP 37 -2.521 1.318 -7.277 302 HB2 TRP 37 HB2 TRP 37 -3.298 -0.894 -6.296 303 HB3 TRP 37 HB3 TRP 37 -1.667 -1.084 -5.660 304 HD1 TRP 37 HD1 TRP 37 -4.672 1.286 -5.402 305 HE1 TRP 37 HE1 TRP 37 -4.576 2.481 -3.140 306 HE3 TRP 37 HE3 TRP 37 -0.210 -0.536 -3.735 307 HZ2 TRP 37 HZ2 TRP 37 -2.835 2.611 -0.908 308 HZ3 TRP 37 HZ3 TRP 37 0.604 0.165 -1.524 309 HH2 TRP 37 HH2 TRP 37 -0.684 1.710 -0.139 310 H CYS 38 H CYS 38 0.204 -0.908 -6.804 311 HA CYS 38 HA CYS 38 1.783 0.837 -5.283 312 HB2 CYS 38 HB2 CYS 38 2.147 -1.579 -5.303 313 HB3 CYS 38 HB3 CYS 38 2.610 -1.515 -7.000 314 HG CYS 38 HG CYS 38 4.408 -0.771 -4.259 315 H HIS 39 H HIS 39 1.714 0.210 -8.774 316 HA HIS 39 HA HIS 39 4.043 1.482 -9.546 317 HB2 HIS 39 HB2 HIS 39 1.520 0.756 -10.864 318 HB3 HIS 39 HB3 HIS 39 2.378 2.087 -11.631 319 HD1 HIS 39 HD1 HIS 39 2.172 -1.467 -11.746 320 HD2 HIS 39 HD2 HIS 39 5.258 1.301 -12.062 321 HE1 HIS 39 HE1 HIS 39 4.060 -2.682 -12.872 322 HE2 HIS 39 HE2 HIS 39 5.849 -0.935 -13.222 323 H THR 40 H THR 40 0.875 2.925 -8.966 324 HA THR 40 HA THR 40 1.650 5.522 -9.850 325 HB THR 40 HB THR 40 -0.622 4.954 -7.961 326 HG1 THR 40 HG1 THR 40 -1.657 3.909 -9.491 327 HG21 THR 40 HG21 THR 40 -1.706 6.767 -9.219 328 HG22 THR 40 HG22 THR 40 -0.269 6.920 -10.229 329 HG23 THR 40 HG23 THR 40 -0.179 7.297 -8.508 330 H GLN 41 H GLN 41 1.246 4.030 -6.636 331 HA GLN 41 HA GLN 41 1.764 6.579 -5.400 332 HB2 GLN 41 HB2 GLN 41 0.790 3.950 -4.399 333 HB3 GLN 41 HB3 GLN 41 1.311 5.205 -3.276 334 HG2 GLN 41 HG2 GLN 41 -0.364 6.659 -3.905 335 HG3 GLN 41 HG3 GLN 41 -0.613 5.863 -5.456 336 HE21 GLN 41 HE21 GLN 41 -1.800 3.990 -5.548 337 HE22 GLN 41 HE22 GLN 41 -2.861 3.521 -4.276 338 H ARG 42 H ARG 42 3.682 3.839 -6.179 339 HA ARG 42 HA ARG 42 5.632 4.121 -4.149 340 HB2 ARG 42 HB2 ARG 42 7.185 3.007 -5.715 341 HB3 ARG 42 HB3 ARG 42 5.645 2.171 -5.608 342 HG2 ARG 42 HG2 ARG 42 6.044 2.114 -7.863 343 HG3 ARG 42 HG3 ARG 42 5.053 3.565 -7.729 344 HD2 ARG 42 HD2 ARG 42 7.193 4.883 -7.615 345 HD3 ARG 42 HD3 ARG 42 8.046 3.395 -8.022 346 HE ARG 42 HE ARG 42 6.002 3.864 -9.910 347 HH11 ARG 42 HH11 ARG 42 9.113 5.133 -8.912 348 HH12 ARG 42 HH12 ARG 42 9.539 5.695 -10.508 349 HH21 ARG 42 HH21 ARG 42 6.529 4.628 -11.987 350 HH22 ARG 42 HH22 ARG 42 8.044 5.452 -12.244 351 H LYS 43 H LYS 43 4.836 5.976 -6.919 352 HA LYS 43 HA LYS 43 7.228 7.535 -7.032 353 HB2 LYS 43 HB2 LYS 43 5.829 7.157 -8.981 354 HB3 LYS 43 HB3 LYS 43 4.449 7.864 -8.160 355 HG2 LYS 43 HG2 LYS 43 5.909 9.984 -8.040 356 HG3 LYS 43 HG3 LYS 43 6.843 9.197 -9.320 357 HD2 LYS 43 HD2 LYS 43 3.894 9.810 -9.350 358 HD3 LYS 43 HD3 LYS 43 5.148 10.599 -10.291 359 HE2 LYS 43 HE2 LYS 43 4.637 7.656 -10.496 360 HE3 LYS 43 HE3 LYS 43 3.734 8.822 -11.453 361 HZ1 LYS 43 HZ1 LYS 43 5.683 7.889 -12.619 362 HZ2 LYS 43 HZ2 LYS 43 6.700 8.585 -11.451 363 HZ3 LYS 43 HZ3 LYS 43 5.767 9.575 -12.462 364 H MET 44 H MET 44 3.910 7.996 -5.874 365 HA MET 44 HA MET 44 4.198 10.563 -4.799 366 HB2 MET 44 HB2 MET 44 2.427 8.441 -3.589 367 HB3 MET 44 HB3 MET 44 2.159 10.179 -3.647 368 HG2 MET 44 HG2 MET 44 2.016 8.225 -5.924 369 HG3 MET 44 HG3 MET 44 0.691 9.139 -5.204 370 HE1 MET 44 HE1 MET 44 1.345 10.465 -8.922 371 HE2 MET 44 HE2 MET 44 0.186 9.631 -7.886 372 HE3 MET 44 HE3 MET 44 1.705 8.845 -8.319 373 H ARG 45 H ARG 45 4.982 7.411 -3.536 374 HA ARG 45 HA ARG 45 5.569 8.035 -0.874 375 HB2 ARG 45 HB2 ARG 45 5.528 5.761 -1.456 376 HB3 ARG 45 HB3 ARG 45 6.613 5.990 -2.813 377 HG2 ARG 45 HG2 ARG 45 7.753 4.794 -1.078 378 HG3 ARG 45 HG3 ARG 45 8.459 6.403 -1.223 379 HD2 ARG 45 HD2 ARG 45 7.269 7.148 0.738 380 HD3 ARG 45 HD3 ARG 45 6.405 5.611 0.837 381 HE ARG 45 HE ARG 45 8.937 4.779 0.979 382 HH11 ARG 45 HH11 ARG 45 7.331 7.393 2.677 383 HH12 ARG 45 HH12 ARG 45 8.350 7.273 4.077 384 HH21 ARG 45 HH21 ARG 45 10.271 4.625 2.789 385 HH22 ARG 45 HH22 ARG 45 10.037 5.691 4.147 386 H LYS 46 H LYS 46 7.602 8.213 -3.765 387 HA LYS 46 HA LYS 46 9.925 9.084 -2.357 388 HB2 LYS 46 HB2 LYS 46 9.588 8.022 -4.782 389 HB3 LYS 46 HB3 LYS 46 9.551 9.715 -5.251 390 HG2 LYS 46 HG2 LYS 46 11.787 8.417 -3.707 391 HG3 LYS 46 HG3 LYS 46 11.785 8.681 -5.449 392 HD2 LYS 46 HD2 LYS 46 11.453 10.907 -3.450 393 HD3 LYS 46 HD3 LYS 46 13.019 10.393 -4.062 394 HE2 LYS 46 HE2 LYS 46 10.718 11.445 -5.696 395 HE3 LYS 46 HE3 LYS 46 12.203 12.311 -5.310 396 HZ1 LYS 46 HZ1 LYS 46 12.624 11.520 -7.412 397 HZ2 LYS 46 HZ2 LYS 46 11.789 10.066 -7.166 398 HZ3 LYS 46 HZ3 LYS 46 13.319 10.292 -6.464 399 H GLN 47 H GLN 47 7.423 10.677 -4.260 400 HA GLN 47 HA GLN 47 8.412 13.306 -4.047 401 HB2 GLN 47 HB2 GLN 47 5.595 12.316 -4.490 402 HB3 GLN 47 HB3 GLN 47 6.098 13.989 -4.672 403 HG2 GLN 47 HG2 GLN 47 7.702 13.255 -6.415 404 HG3 GLN 47 HG3 GLN 47 7.025 11.631 -6.289 405 HE21 GLN 47 HE21 GLN 47 4.913 11.263 -7.008 406 HE22 GLN 47 HE22 GLN 47 4.119 12.355 -8.086 407 H GLY 48 H GLY 48 6.955 11.316 -1.714 408 HA2 GLY 48 HA2 GLY 48 6.541 11.704 0.514 409 HA3 GLY 48 HA3 GLY 48 7.173 13.329 0.290 410 H LYS 49 H LYS 49 4.540 12.111 -1.635 411 HA LYS 49 HA LYS 49 2.805 14.098 -0.330 412 HB2 LYS 49 HB2 LYS 49 1.581 14.193 -2.486 413 HB3 LYS 49 HB3 LYS 49 3.256 14.716 -2.609 414 HG2 LYS 49 HG2 LYS 49 3.891 12.666 -3.651 415 HG3 LYS 49 HG3 LYS 49 2.303 11.959 -3.340 416 HD2 LYS 49 HD2 LYS 49 2.865 14.330 -5.124 417 HD3 LYS 49 HD3 LYS 49 2.518 12.685 -5.667 418 HE2 LYS 49 HE2 LYS 49 0.323 12.792 -4.615 419 HE3 LYS 49 HE3 LYS 49 0.670 14.421 -4.041 420 HZ1 LYS 49 HZ1 LYS 49 -0.624 14.656 -5.975 421 HZ2 LYS 49 HZ2 LYS 49 0.278 13.514 -6.832 422 HZ3 LYS 49 HZ3 LYS 49 0.961 15.019 -6.460 423 H LEU 50 H LEU 50 3.301 10.855 -0.653 424 HA LEU 50 HA LEU 50 0.741 9.736 -0.795 425 HB2 LEU 50 HB2 LEU 50 3.396 8.943 0.094 426 HB3 LEU 50 HB3 LEU 50 2.147 8.222 1.081 427 HG LEU 50 HG LEU 50 2.469 7.927 -1.907 428 HD11 LEU 50 HD11 LEU 50 4.093 6.669 -0.602 429 HD12 LEU 50 HD12 LEU 50 2.921 5.584 -1.350 430 HD13 LEU 50 HD13 LEU 50 2.795 5.970 0.367 431 HD21 LEU 50 HD21 LEU 50 0.620 6.351 -1.786 432 HD22 LEU 50 HD22 LEU 50 0.103 7.959 -1.275 433 HD23 LEU 50 HD23 LEU 50 0.411 6.705 -0.071 434 HA PRO 51 HA PRO 51 -1.075 11.154 3.044 435 HB2 PRO 51 HB2 PRO 51 -2.819 8.798 2.897 436 HB3 PRO 51 HB3 PRO 51 -3.243 10.511 2.824 437 HG2 PRO 51 HG2 PRO 51 -3.384 8.914 0.664 438 HG3 PRO 51 HG3 PRO 51 -2.939 10.627 0.545 439 HD2 PRO 51 HD2 PRO 51 -1.181 8.205 0.479 440 HD3 PRO 51 HD3 PRO 51 -1.096 9.689 -0.484 441 H ASN 52 H ASN 52 -0.443 10.851 5.032 442 HA ASN 52 HA ASN 52 1.059 8.680 5.937 443 HB2 ASN 52 HB2 ASN 52 1.262 10.792 7.043 444 HB3 ASN 52 HB3 ASN 52 -0.456 10.824 7.430 445 HD21 ASN 52 HD21 ASN 52 -1.212 9.668 9.163 446 HD22 ASN 52 HD22 ASN 52 -0.172 8.916 10.310 447 H ASP 53 H ASP 53 -2.402 9.318 6.095 448 HA ASP 53 HA ASP 53 -3.278 7.352 7.838 449 HB2 ASP 53 HB2 ASP 53 -4.524 8.139 5.188 450 HB3 ASP 53 HB3 ASP 53 -5.326 7.189 6.428 451 H ARG 54 H ARG 54 -2.762 7.072 4.368 452 HA ARG 54 HA ARG 54 -3.228 4.298 4.196 453 HB2 ARG 54 HB2 ARG 54 -3.389 5.990 2.348 454 HB3 ARG 54 HB3 ARG 54 -1.631 6.022 2.308 455 HG2 ARG 54 HG2 ARG 54 -1.513 3.787 1.577 456 HG3 ARG 54 HG3 ARG 54 -3.224 3.510 1.925 457 HD2 ARG 54 HD2 ARG 54 -2.276 5.557 -0.054 458 HD3 ARG 54 HD3 ARG 54 -2.602 3.883 -0.493 459 HE ARG 54 HE ARG 54 -4.902 4.421 0.573 460 HH11 ARG 54 HH11 ARG 54 -2.982 6.570 -1.407 461 HH12 ARG 54 HH12 ARG 54 -4.342 7.519 -1.926 462 HH21 ARG 54 HH21 ARG 54 -6.699 5.632 -0.129 463 HH22 ARG 54 HH22 ARG 54 -6.473 6.964 -1.221 464 H ARG 55 H ARG 55 -0.258 6.209 4.137 465 HA ARG 55 HA ARG 55 1.642 4.233 4.014 466 HB2 ARG 55 HB2 ARG 55 2.170 6.623 3.966 467 HB3 ARG 55 HB3 ARG 55 1.722 6.776 5.656 468 HG2 ARG 55 HG2 ARG 55 3.885 4.868 4.918 469 HG3 ARG 55 HG3 ARG 55 4.232 6.598 4.920 470 HD2 ARG 55 HD2 ARG 55 3.595 6.784 7.227 471 HD3 ARG 55 HD3 ARG 55 3.020 5.118 7.249 472 HE ARG 55 HE ARG 55 5.730 5.112 6.526 473 HH11 ARG 55 HH11 ARG 55 3.731 5.893 9.288 474 HH12 ARG 55 HH12 ARG 55 4.933 5.434 10.454 475 HH21 ARG 55 HH21 ARG 55 7.317 4.501 8.055 476 HH22 ARG 55 HH22 ARG 55 6.966 4.624 9.756 477 H LEU 56 H LEU 56 -0.137 5.322 6.888 478 HA LEU 56 HA LEU 56 1.331 3.694 8.708 479 HB2 LEU 56 HB2 LEU 56 -0.037 5.746 9.266 480 HB3 LEU 56 HB3 LEU 56 -1.466 4.745 9.089 481 HG LEU 56 HG LEU 56 -0.664 3.293 10.915 482 HD11 LEU 56 HD11 LEU 56 1.216 3.998 12.294 483 HD12 LEU 56 HD12 LEU 56 1.538 5.334 11.187 484 HD13 LEU 56 HD13 LEU 56 1.735 3.668 10.639 485 HD21 LEU 56 HD21 LEU 56 -2.180 5.130 11.414 486 HD22 LEU 56 HD22 LEU 56 -0.809 6.223 11.611 487 HD23 LEU 56 HD23 LEU 56 -1.038 4.884 12.736 488 H LEU 57 H LEU 57 -1.608 3.223 6.831 489 HA LEU 57 HA LEU 57 -2.520 0.873 8.073 490 HB2 LEU 57 HB2 LEU 57 -2.810 1.666 5.173 491 HB3 LEU 57 HB3 LEU 57 -3.785 0.480 6.019 492 HG LEU 57 HG LEU 57 -3.727 3.451 6.550 493 HD11 LEU 57 HD11 LEU 57 -6.028 3.397 5.750 494 HD12 LEU 57 HD12 LEU 57 -5.874 1.675 5.406 495 HD13 LEU 57 HD13 LEU 57 -4.907 2.843 4.508 496 HD21 LEU 57 HD21 LEU 57 -4.052 2.198 8.616 497 HD22 LEU 57 HD22 LEU 57 -5.370 1.296 7.866 498 HD23 LEU 57 HD23 LEU 57 -5.530 3.033 8.132 499 H LEU 58 H LEU 58 -0.315 1.384 5.361 500 HA LEU 58 HA LEU 58 0.078 -1.359 4.777 501 HB2 LEU 58 HB2 LEU 58 1.524 1.160 4.084 502 HB3 LEU 58 HB3 LEU 58 2.305 -0.379 3.781 503 HG LEU 58 HG LEU 58 0.394 -1.045 2.352 504 HD11 LEU 58 HD11 LEU 58 -1.347 0.332 3.349 505 HD12 LEU 58 HD12 LEU 58 -1.203 0.652 1.619 506 HD13 LEU 58 HD13 LEU 58 -0.528 1.789 2.788 507 HD21 LEU 58 HD21 LEU 58 0.952 0.416 0.483 508 HD22 LEU 58 HD22 LEU 58 2.397 -0.053 1.378 509 HD23 LEU 58 HD23 LEU 58 1.709 1.556 1.594 510 H ASP 59 H ASP 59 1.769 0.907 6.885 511 HA ASP 59 HA ASP 59 3.891 -0.887 7.517 512 HB2 ASP 59 HB2 ASP 59 3.914 1.641 7.799 513 HB3 ASP 59 HB3 ASP 59 2.934 1.396 9.242 514 H LYS 60 H LYS 60 0.683 -0.349 8.753 515 HA LYS 60 HA LYS 60 0.933 -1.688 11.205 516 HB2 LYS 60 HB2 LYS 60 -0.891 -0.098 10.448 517 HB3 LYS 60 HB3 LYS 60 -1.542 -1.418 9.492 518 HG2 LYS 60 HG2 LYS 60 -1.119 -1.663 12.444 519 HG3 LYS 60 HG3 LYS 60 -2.587 -0.963 11.762 520 HD2 LYS 60 HD2 LYS 60 -1.545 -3.695 11.049 521 HD3 LYS 60 HD3 LYS 60 -2.721 -3.390 12.313 522 HE2 LYS 60 HE2 LYS 60 -4.160 -2.280 10.586 523 HE3 LYS 60 HE3 LYS 60 -3.022 -2.862 9.370 524 HZ1 LYS 60 HZ1 LYS 60 -4.915 -4.348 9.593 525 HZ2 LYS 60 HZ2 LYS 60 -4.586 -4.570 11.241 526 HZ3 LYS 60 HZ3 LYS 60 -3.489 -5.134 10.073 527 H ILE 61 H ILE 61 -0.110 -2.756 7.966 528 HA ILE 61 HA ILE 61 -0.632 -5.430 8.831 529 HB ILE 61 HB ILE 61 -0.816 -5.992 6.437 530 HG12 ILE 61 HG12 ILE 61 -0.169 -3.080 5.954 531 HG13 ILE 61 HG13 ILE 61 0.929 -4.413 5.624 532 HG21 ILE 61 HG21 ILE 61 -2.738 -5.135 7.651 533 HG22 ILE 61 HG22 ILE 61 -2.767 -4.601 5.970 534 HG23 ILE 61 HG23 ILE 61 -2.275 -3.482 7.242 535 HD11 ILE 61 HD11 ILE 61 -0.632 -5.304 3.980 536 HD12 ILE 61 HD12 ILE 61 -0.172 -3.645 3.601 537 HD13 ILE 61 HD13 ILE 61 -1.748 -3.980 4.318 538 H GLY 62 H GLY 62 2.191 -3.731 7.767 539 HA2 GLY 62 HA2 GLY 62 4.312 -4.663 8.496 540 HA3 GLY 62 HA3 GLY 62 3.687 -6.255 8.096 541 H PHE 63 H PHE 63 3.293 -3.459 6.024 542 HA PHE 63 HA PHE 63 4.572 -4.809 3.847 543 HB2 PHE 63 HB2 PHE 63 2.662 -3.317 3.474 544 HB3 PHE 63 HB3 PHE 63 3.586 -1.958 4.096 545 HD1 PHE 63 HD2 PHE 63 3.668 -4.538 1.412 546 HD2 PHE 63 HD1 PHE 63 4.745 -0.604 2.629 547 HE1 PHE 63 HE2 PHE 63 4.486 -4.061 -0.861 548 HE2 PHE 63 HE1 PHE 63 5.558 -0.120 0.360 549 HZ PHE 63 HZ PHE 63 5.431 -1.850 -1.389 550 H VAL 64 H VAL 64 6.600 -4.691 3.194 551 HA VAL 64 HA VAL 64 8.535 -3.332 4.795 552 HB VAL 64 HB VAL 64 8.906 -5.573 3.762 553 HG11 VAL 64 HG11 VAL 64 9.150 -4.020 1.195 554 HG12 VAL 64 HG12 VAL 64 7.892 -5.188 1.596 555 HG13 VAL 64 HG13 VAL 64 9.563 -5.718 1.415 556 HG21 VAL 64 HG21 VAL 64 11.235 -5.167 3.090 557 HG22 VAL 64 HG22 VAL 64 10.792 -4.305 4.561 558 HG23 VAL 64 HG23 VAL 64 10.896 -3.436 3.031 559 H TRP 65 H TRP 65 9.591 -1.462 4.367 560 HA TRP 65 HA TRP 65 8.509 0.146 2.201 561 HB2 TRP 65 HB2 TRP 65 10.277 0.861 4.543 562 HB3 TRP 65 HB3 TRP 65 9.735 2.015 3.323 563 HD1 TRP 65 HD1 TRP 65 8.733 0.593 6.582 564 HE1 TRP 65 HE1 TRP 65 6.297 1.217 7.146 565 HE3 TRP 65 HE3 TRP 65 7.280 2.328 2.003 566 HZ2 TRP 65 HZ2 TRP 65 4.054 2.309 5.802 567 HZ3 TRP 65 HZ3 TRP 65 4.977 3.140 1.720 568 HH2 TRP 65 HH2 TRP 65 3.395 3.132 3.579 569 H SER 66 H SER 66 11.223 -1.770 2.784 570 HA SER 66 HA SER 66 12.806 -0.338 0.795 571 HB2 SER 66 HB2 SER 66 14.439 -2.316 1.406 572 HB3 SER 66 HB3 SER 66 14.274 -0.914 2.463 573 HG SER 66 HG SER 66 14.024 -3.308 3.250 574 H LEU 67 H LEU 67 11.358 -0.810 -0.897 575 HA LEU 67 HA LEU 67 11.233 -3.572 -1.839 576 HB2 LEU 67 HB2 LEU 67 9.283 -1.849 -1.855 577 HB3 LEU 67 HB3 LEU 67 10.094 -1.159 -3.244 578 HG LEU 67 HG LEU 67 9.253 -4.051 -3.159 579 HD11 LEU 67 HD11 LEU 67 7.249 -3.395 -4.385 580 HD12 LEU 67 HD12 LEU 67 7.677 -1.696 -4.188 581 HD13 LEU 67 HD13 LEU 67 7.277 -2.674 -2.776 582 HD21 LEU 67 HD21 LEU 67 9.807 -2.169 -5.451 583 HD22 LEU 67 HD22 LEU 67 9.352 -3.868 -5.582 584 HD23 LEU 67 HD23 LEU 67 10.900 -3.420 -4.866 585 H GLU 68 H GLU 68 12.744 -4.313 -3.206 586 HA GLU 68 HA GLU 68 14.604 -4.399 -4.521 587 HB2 GLU 68 HB2 GLU 68 13.549 -1.744 -5.521 588 HB3 GLU 68 HB3 GLU 68 14.891 -2.612 -6.248 589 HG2 GLU 68 HG2 GLU 68 13.441 -4.429 -6.859 590 HG3 GLU 68 HG3 GLU 68 12.089 -3.674 -6.015 591 H HIS 69 H HIS 69 16.296 -2.292 -5.378 592 HA HIS 69 HA HIS 69 17.943 -0.877 -4.768 593 HB2 HIS 69 HB2 HIS 69 16.224 -0.378 -2.332 594 HB3 HIS 69 HB3 HIS 69 17.664 0.545 -2.743 595 HD1 HIS 69 HD1 HIS 69 17.401 2.417 -4.418 596 HD2 HIS 69 HD2 HIS 69 14.044 -0.018 -4.158 597 HE1 HIS 69 HE1 HIS 69 15.620 3.568 -5.770 598 HE2 HIS 69 HE2 HIS 69 13.705 1.930 -5.814 599 H HIS 70 H HIS 70 19.921 -1.100 -3.909 600 HA HIS 70 HA HIS 70 20.294 -2.559 -1.441 601 HB2 HIS 70 HB2 HIS 70 21.913 -4.178 -2.478 602 HB3 HIS 70 HB3 HIS 70 20.232 -4.449 -2.912 603 HD1 HIS 70 HD1 HIS 70 19.584 -4.190 -5.382 604 HD2 HIS 70 HD2 HIS 70 23.590 -3.370 -4.601 605 HE1 HIS 70 HE1 HIS 70 20.707 -4.083 -7.628 606 HE2 HIS 70 HE2 HIS 70 23.157 -3.808 -7.116 607 H HIS 71 H HIS 71 21.672 -1.418 -0.329 608 HA HIS 71 HA HIS 71 23.781 0.073 -1.752 609 HB2 HIS 71 HB2 HIS 71 22.100 1.316 -0.287 610 HB3 HIS 71 HB3 HIS 71 22.851 0.521 1.090 611 HD1 HIS 71 HD1 HIS 71 24.977 1.545 1.999 612 HD2 HIS 71 HD2 HIS 71 23.809 3.164 -1.657 613 HE1 HIS 71 HE1 HIS 71 26.472 3.538 1.622 614 HE2 HIS 71 HE2 HIS 71 25.788 4.472 -0.620 615 H HIS 72 H HIS 72 25.915 -0.244 -1.199 616 HA HIS 72 HA HIS 72 26.517 -2.804 -0.095 617 HB2 HIS 72 HB2 HIS 72 28.216 -0.534 -1.096 618 HB3 HIS 72 HB3 HIS 72 28.938 -1.940 -0.327 619 HD1 HIS 72 HD1 HIS 72 28.197 -0.704 -3.554 620 HD2 HIS 72 HD2 HIS 72 27.907 -4.432 -1.732 621 HE1 HIS 72 HE1 HIS 72 28.132 -2.378 -5.430 622 HE2 HIS 72 HE2 HIS 72 27.833 -4.614 -4.312 623 H HIS 73 H HIS 73 26.401 -3.214 1.974 624 HA HIS 73 HA HIS 73 27.603 -1.293 3.853 625 HB2 HIS 73 HB2 HIS 73 25.201 -1.855 4.281 626 HB3 HIS 73 HB3 HIS 73 25.667 -3.539 4.483 627 HD1 HIS 73 HD1 HIS 73 24.452 -2.976 6.901 628 HD2 HIS 73 HD2 HIS 73 28.227 -1.363 6.222 629 HE1 HIS 73 HE1 HIS 73 25.362 -2.385 9.170 630 HE2 HIS 73 HE2 HIS 73 27.708 -1.572 8.747 631 H HIS 74 H HIS 74 29.692 -1.999 3.377 632 HA HIS 74 HA HIS 74 30.451 -4.552 4.553 633 HB2 HIS 74 HB2 HIS 74 30.061 -5.067 2.180 634 HB3 HIS 74 HB3 HIS 74 31.143 -3.763 1.706 635 HD1 HIS 74 HD1 HIS 74 31.109 -7.280 2.919 636 HD2 HIS 74 HD2 HIS 74 33.893 -4.315 2.047 637 HE1 HIS 74 HE1 HIS 74 33.338 -8.443 2.826 638 HE2 HIS 74 HE2 HIS 74 34.982 -6.662 2.125 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -15.741 -5.096 -19.552 2 H2 MET 1 H2 MET 1 -14.133 -5.618 -19.419 3 H3 MET 1 H3 MET 1 -14.480 -3.964 -19.553 4 HA MET 1 HA MET 1 -15.310 -5.694 -17.300 5 HB2 MET 1 HB2 MET 1 -12.881 -5.381 -17.306 6 HB3 MET 1 HB3 MET 1 -13.092 -3.642 -17.470 7 HG2 MET 1 HG2 MET 1 -14.201 -3.581 -15.281 8 HG3 MET 1 HG3 MET 1 -13.936 -5.316 -15.114 9 HE1 MET 1 HE1 MET 1 -13.017 -3.008 -13.019 10 HE2 MET 1 HE2 MET 1 -11.452 -3.664 -12.540 11 HE3 MET 1 HE3 MET 1 -12.835 -4.741 -12.736 12 H ASN 2 H ASN 2 -17.214 -4.927 -16.660 13 HA ASN 2 HA ASN 2 -17.998 -2.203 -17.030 14 HB2 ASN 2 HB2 ASN 2 -19.238 -4.496 -15.512 15 HB3 ASN 2 HB3 ASN 2 -19.933 -2.882 -15.500 16 HD21 ASN 2 HD21 ASN 2 -21.798 -3.451 -16.509 17 HD22 ASN 2 HD22 ASN 2 -21.873 -3.925 -18.171 18 H GLN 3 H GLN 3 -17.912 -0.525 -15.656 19 HA GLN 3 HA GLN 3 -16.199 -0.758 -13.362 20 HB2 GLN 3 HB2 GLN 3 -17.829 1.602 -14.322 21 HB3 GLN 3 HB3 GLN 3 -16.541 1.653 -13.125 22 HG2 GLN 3 HG2 GLN 3 -14.954 0.880 -14.846 23 HG3 GLN 3 HG3 GLN 3 -16.254 0.940 -16.033 24 HE21 GLN 3 HE21 GLN 3 -17.054 2.939 -16.694 25 HE22 GLN 3 HE22 GLN 3 -16.189 4.415 -16.414 26 H ASN 4 H ASN 4 -16.950 -1.718 -11.627 27 HA ASN 4 HA ASN 4 -19.758 -1.562 -10.916 28 HB2 ASN 4 HB2 ASN 4 -18.803 -3.751 -10.838 29 HB3 ASN 4 HB3 ASN 4 -17.438 -3.194 -9.879 30 HD21 ASN 4 HD21 ASN 4 -17.642 -3.004 -7.695 31 HD22 ASN 4 HD22 ASN 4 -19.038 -3.542 -6.821 32 H LEU 5 H LEU 5 -20.264 0.287 -9.931 33 HA LEU 5 HA LEU 5 -20.500 1.797 -8.267 34 HB2 LEU 5 HB2 LEU 5 -19.204 -0.473 -6.812 35 HB3 LEU 5 HB3 LEU 5 -19.466 1.049 -5.984 36 HG LEU 5 HG LEU 5 -21.900 0.853 -6.499 37 HD11 LEU 5 HD11 LEU 5 -22.773 -1.318 -7.202 38 HD12 LEU 5 HD12 LEU 5 -21.125 -1.900 -7.440 39 HD13 LEU 5 HD13 LEU 5 -21.753 -0.597 -8.447 40 HD21 LEU 5 HD21 LEU 5 -20.672 -1.436 -4.974 41 HD22 LEU 5 HD22 LEU 5 -22.337 -0.872 -4.824 42 HD23 LEU 5 HD23 LEU 5 -21.003 0.175 -4.340 43 H GLN 6 H GLN 6 -18.681 2.274 -6.075 44 HA GLN 6 HA GLN 6 -16.267 3.272 -7.357 45 HB2 GLN 6 HB2 GLN 6 -16.662 5.542 -6.385 46 HB3 GLN 6 HB3 GLN 6 -17.783 5.118 -7.673 47 HG2 GLN 6 HG2 GLN 6 -19.464 4.525 -5.987 48 HG3 GLN 6 HG3 GLN 6 -18.344 5.012 -4.717 49 HE21 GLN 6 HE21 GLN 6 -20.421 6.071 -7.274 50 HE22 GLN 6 HE22 GLN 6 -20.433 7.751 -6.848 51 H GLY 7 H GLY 7 -14.788 4.249 -5.671 52 HA2 GLY 7 HA2 GLY 7 -13.953 4.289 -3.464 53 HA3 GLY 7 HA3 GLY 7 -15.265 3.225 -2.970 54 H GLU 8 H GLU 8 -12.972 2.871 -5.632 55 HA GLU 8 HA GLU 8 -12.590 0.124 -5.173 56 HB2 GLU 8 HB2 GLU 8 -12.241 1.166 -7.366 57 HB3 GLU 8 HB3 GLU 8 -10.859 2.051 -6.735 58 HG2 GLU 8 HG2 GLU 8 -9.774 -0.151 -6.254 59 HG3 GLU 8 HG3 GLU 8 -11.111 -0.924 -7.103 60 H TRP 9 H TRP 9 -11.116 2.880 -3.738 61 HA TRP 9 HA TRP 9 -8.603 1.897 -3.049 62 HB2 TRP 9 HB2 TRP 9 -10.014 4.207 -2.521 63 HB3 TRP 9 HB3 TRP 9 -9.873 3.468 -0.928 64 HD1 TRP 9 HD1 TRP 9 -8.155 5.930 -2.821 65 HE1 TRP 9 HE1 TRP 9 -5.640 6.073 -2.266 66 HE3 TRP 9 HE3 TRP 9 -7.617 1.463 -0.399 67 HZ2 TRP 9 HZ2 TRP 9 -3.693 4.473 -0.967 68 HZ3 TRP 9 HZ3 TRP 9 -5.403 0.839 0.459 69 HH2 TRP 9 HH2 TRP 9 -3.488 2.310 0.183 70 H MET 10 H MET 10 -11.687 1.646 -1.280 71 HA MET 10 HA MET 10 -10.804 0.200 0.928 72 HB2 MET 10 HB2 MET 10 -13.067 1.116 0.751 73 HB3 MET 10 HB3 MET 10 -13.441 -0.009 -0.540 74 HG2 MET 10 HG2 MET 10 -14.450 -0.960 1.305 75 HG3 MET 10 HG3 MET 10 -12.933 -1.842 1.181 76 HE1 MET 10 HE1 MET 10 -10.856 -0.508 4.165 77 HE2 MET 10 HE2 MET 10 -10.719 -0.176 2.436 78 HE3 MET 10 HE3 MET 10 -11.050 -1.816 2.998 79 H LYS 11 H LYS 11 -11.822 -0.893 -2.252 80 HA LYS 11 HA LYS 11 -11.682 -3.661 -1.727 81 HB2 LYS 11 HB2 LYS 11 -12.925 -2.486 -3.599 82 HB3 LYS 11 HB3 LYS 11 -11.379 -2.294 -4.407 83 HG2 LYS 11 HG2 LYS 11 -12.346 -5.005 -3.595 84 HG3 LYS 11 HG3 LYS 11 -12.931 -4.242 -5.072 85 HD2 LYS 11 HD2 LYS 11 -10.037 -4.761 -4.399 86 HD3 LYS 11 HD3 LYS 11 -11.026 -5.737 -5.486 87 HE2 LYS 11 HE2 LYS 11 -11.340 -3.769 -6.930 88 HE3 LYS 11 HE3 LYS 11 -10.312 -2.829 -5.849 89 HZ1 LYS 11 HZ1 LYS 11 -9.497 -5.200 -7.445 90 HZ2 LYS 11 HZ2 LYS 11 -8.506 -4.413 -6.317 91 HZ3 LYS 11 HZ3 LYS 11 -9.029 -3.590 -7.709 92 H ASN 12 H ASN 12 -9.374 -1.368 -3.162 93 HA ASN 12 HA ASN 12 -7.342 -3.255 -3.714 94 HB2 ASN 12 HB2 ASN 12 -7.195 -0.278 -3.204 95 HB3 ASN 12 HB3 ASN 12 -5.834 -1.247 -3.744 96 HD21 ASN 12 HD21 ASN 12 -7.114 0.995 -5.051 97 HD22 ASN 12 HD22 ASN 12 -7.666 0.424 -6.584 98 H TYR 13 H TYR 13 -8.203 -1.425 -0.861 99 HA TYR 13 HA TYR 13 -5.830 -1.818 0.601 100 HB2 TYR 13 HB2 TYR 13 -7.452 -0.145 1.285 101 HB3 TYR 13 HB3 TYR 13 -8.665 -1.388 1.574 102 HD1 TYR 13 HD1 TYR 13 -5.418 -0.051 2.773 103 HD2 TYR 13 HD2 TYR 13 -8.760 -2.538 3.641 104 HE1 TYR 13 HE1 TYR 13 -4.663 -0.251 5.105 105 HE2 TYR 13 HE2 TYR 13 -8.009 -2.740 5.971 106 HH TYR 13 HH TYR 13 -5.824 -0.752 7.378 107 H GLU 14 H GLU 14 -8.918 -3.612 0.675 108 HA GLU 14 HA GLU 14 -8.085 -5.466 2.625 109 HB2 GLU 14 HB2 GLU 14 -10.036 -6.839 1.819 110 HB3 GLU 14 HB3 GLU 14 -10.422 -5.191 2.294 111 HG2 GLU 14 HG2 GLU 14 -10.426 -4.532 -0.067 112 HG3 GLU 14 HG3 GLU 14 -10.088 -6.202 -0.519 113 H GLU 15 H GLU 15 -7.776 -5.456 -0.876 114 HA GLU 15 HA GLU 15 -6.994 -8.141 -1.201 115 HB2 GLU 15 HB2 GLU 15 -6.268 -5.683 -2.794 116 HB3 GLU 15 HB3 GLU 15 -5.847 -7.319 -3.276 117 HG2 GLU 15 HG2 GLU 15 -8.284 -7.859 -3.261 118 HG3 GLU 15 HG3 GLU 15 -8.596 -6.141 -3.000 119 H LEU 16 H LEU 16 -5.169 -5.235 -0.397 120 HA LEU 16 HA LEU 16 -2.620 -6.565 -0.688 121 HB2 LEU 16 HB2 LEU 16 -3.238 -4.037 -1.043 122 HB3 LEU 16 HB3 LEU 16 -3.029 -3.930 0.689 123 HG LEU 16 HG LEU 16 -0.864 -4.928 -1.155 124 HD11 LEU 16 HD11 LEU 16 0.120 -2.715 -0.977 125 HD12 LEU 16 HD12 LEU 16 -1.281 -2.152 -0.067 126 HD13 LEU 16 HD13 LEU 16 -1.463 -2.643 -1.750 127 HD21 LEU 16 HD21 LEU 16 0.609 -4.418 0.712 128 HD22 LEU 16 HD22 LEU 16 -0.622 -5.590 1.185 129 HD23 LEU 16 HD23 LEU 16 -0.774 -3.902 1.678 130 H LYS 17 H LYS 17 -4.817 -5.567 1.802 131 HA LYS 17 HA LYS 17 -3.317 -5.865 4.101 132 HB2 LYS 17 HB2 LYS 17 -5.662 -4.982 3.842 133 HB3 LYS 17 HB3 LYS 17 -6.209 -6.647 3.743 134 HG2 LYS 17 HG2 LYS 17 -5.399 -7.078 5.973 135 HG3 LYS 17 HG3 LYS 17 -4.765 -5.435 6.074 136 HD2 LYS 17 HD2 LYS 17 -7.026 -4.535 5.857 137 HD3 LYS 17 HD3 LYS 17 -7.670 -6.173 5.716 138 HE2 LYS 17 HE2 LYS 17 -6.207 -5.058 8.107 139 HE3 LYS 17 HE3 LYS 17 -7.956 -5.250 7.977 140 HZ1 LYS 17 HZ1 LYS 17 -7.075 -7.089 9.178 141 HZ2 LYS 17 HZ2 LYS 17 -5.917 -7.408 7.985 142 HZ3 LYS 17 HZ3 LYS 17 -7.563 -7.661 7.656 143 H SER 18 H SER 18 -5.164 -8.304 2.326 144 HA SER 18 HA SER 18 -4.290 -10.423 4.069 145 HB2 SER 18 HB2 SER 18 -5.811 -10.515 1.454 146 HB3 SER 18 HB3 SER 18 -5.537 -11.896 2.519 147 HG SER 18 HG SER 18 -6.603 -10.585 4.186 148 H PHE 19 H PHE 19 -3.338 -9.105 0.955 149 HA PHE 19 HA PHE 19 -1.849 -11.339 0.059 150 HB2 PHE 19 HB2 PHE 19 -2.555 -9.511 -1.444 151 HB3 PHE 19 HB3 PHE 19 -1.439 -8.420 -0.630 152 HD1 PHE 19 HD1 PHE 19 -1.653 -11.447 -2.729 153 HD2 PHE 19 HD2 PHE 19 0.862 -8.380 -1.188 154 HE1 PHE 19 HE1 PHE 19 0.136 -12.145 -4.268 155 HE2 PHE 19 HE2 PHE 19 2.655 -9.075 -2.723 156 HZ PHE 19 HZ PHE 19 2.291 -10.956 -4.266 157 H VAL 20 H VAL 20 -0.877 -8.386 1.776 158 HA VAL 20 HA VAL 20 1.866 -9.051 1.930 159 HB VAL 20 HB VAL 20 0.928 -6.756 2.289 160 HG11 VAL 20 HG11 VAL 20 0.130 -6.164 4.525 161 HG12 VAL 20 HG12 VAL 20 0.188 -7.866 4.988 162 HG13 VAL 20 HG13 VAL 20 -0.932 -7.329 3.733 163 HG21 VAL 20 HG21 VAL 20 2.709 -7.820 4.479 164 HG22 VAL 20 HG22 VAL 20 2.538 -6.125 4.021 165 HG23 VAL 20 HG23 VAL 20 3.231 -7.280 2.881 166 H ARG 21 H ARG 21 -0.893 -9.816 3.947 167 HA ARG 21 HA ARG 21 0.584 -10.853 6.144 168 HB2 ARG 21 HB2 ARG 21 -1.788 -10.057 6.238 169 HB3 ARG 21 HB3 ARG 21 -2.259 -11.462 5.300 170 HG2 ARG 21 HG2 ARG 21 -0.815 -11.816 7.886 171 HG3 ARG 21 HG3 ARG 21 -2.542 -11.464 7.876 172 HD2 ARG 21 HD2 ARG 21 -2.996 -13.432 6.577 173 HD3 ARG 21 HD3 ARG 21 -1.274 -13.734 6.353 174 HE ARG 21 HE ARG 21 -2.730 -14.008 8.907 175 HH11 ARG 21 HH11 ARG 21 -0.013 -14.723 6.827 176 HH12 ARG 21 HH12 ARG 21 0.624 -15.973 7.856 177 HH21 ARG 21 HH21 ARG 21 -1.867 -15.608 10.315 178 HH22 ARG 21 HH22 ARG 21 -0.414 -16.459 9.856 179 H LYS 22 H LYS 22 -0.353 -12.053 3.066 180 HA LYS 22 HA LYS 22 0.037 -14.845 3.800 181 HB2 LYS 22 HB2 LYS 22 -1.863 -14.129 2.366 182 HB3 LYS 22 HB3 LYS 22 -0.712 -13.617 1.142 183 HG2 LYS 22 HG2 LYS 22 0.099 -15.948 0.996 184 HG3 LYS 22 HG3 LYS 22 -1.169 -16.419 2.133 185 HD2 LYS 22 HD2 LYS 22 -2.831 -15.426 0.534 186 HD3 LYS 22 HD3 LYS 22 -1.507 -15.242 -0.620 187 HE2 LYS 22 HE2 LYS 22 -2.750 -17.277 -1.061 188 HE3 LYS 22 HE3 LYS 22 -1.110 -17.654 -0.534 189 HZ1 LYS 22 HZ1 LYS 22 -1.904 -18.217 1.626 190 HZ2 LYS 22 HZ2 LYS 22 -2.867 -19.045 0.497 191 HZ3 LYS 22 HZ3 LYS 22 -3.466 -17.659 1.269 192 H TYR 23 H TYR 23 1.308 -12.564 1.367 193 HA TYR 23 HA TYR 23 3.434 -14.445 0.699 194 HB2 TYR 23 HB2 TYR 23 2.022 -12.327 -0.661 195 HB3 TYR 23 HB3 TYR 23 3.761 -12.078 -0.783 196 HD1 TYR 23 HD1 TYR 23 1.395 -14.972 -1.000 197 HD2 TYR 23 HD2 TYR 23 4.726 -12.926 -2.679 198 HE1 TYR 23 HE1 TYR 23 1.492 -16.630 -2.811 199 HE2 TYR 23 HE2 TYR 23 4.833 -14.581 -4.494 200 HH TYR 23 HH TYR 23 4.148 -16.867 -4.951 201 H ARG 24 H ARG 24 2.959 -11.788 2.709 202 HA ARG 24 HA ARG 24 4.256 -10.334 3.831 203 HB2 ARG 24 HB2 ARG 24 6.326 -12.491 3.404 204 HB3 ARG 24 HB3 ARG 24 6.574 -11.085 4.432 205 HG2 ARG 24 HG2 ARG 24 4.480 -13.217 4.792 206 HG3 ARG 24 HG3 ARG 24 5.935 -12.993 5.765 207 HD2 ARG 24 HD2 ARG 24 3.772 -10.920 5.479 208 HD3 ARG 24 HD3 ARG 24 3.817 -12.099 6.783 209 HE ARG 24 HE ARG 24 6.096 -10.288 6.381 210 HH11 ARG 24 HH11 ARG 24 3.456 -11.459 8.358 211 HH12 ARG 24 HH12 ARG 24 3.943 -10.558 9.760 212 HH21 ARG 24 HH21 ARG 24 6.743 -9.092 8.224 213 HH22 ARG 24 HH22 ARG 24 5.815 -9.224 9.687 214 H ARG 25 H ARG 25 4.148 -8.693 2.429 215 HA ARG 25 HA ARG 25 4.824 -7.041 1.061 216 HB2 ARG 25 HB2 ARG 25 6.918 -7.332 2.404 217 HB3 ARG 25 HB3 ARG 25 7.509 -8.398 1.144 218 HG2 ARG 25 HG2 ARG 25 7.136 -6.408 -0.427 219 HG3 ARG 25 HG3 ARG 25 7.077 -5.451 1.061 220 HD2 ARG 25 HD2 ARG 25 9.218 -6.431 1.737 221 HD3 ARG 25 HD3 ARG 25 9.274 -7.295 0.206 222 HE ARG 25 HE ARG 25 9.518 -4.385 0.566 223 HH11 ARG 25 HH11 ARG 25 9.794 -7.223 -1.473 224 HH12 ARG 25 HH12 ARG 25 10.738 -6.420 -2.681 225 HH21 ARG 25 HH21 ARG 25 10.771 -3.324 -1.039 226 HH22 ARG 25 HH22 ARG 25 11.295 -4.205 -2.434 227 H PHE 26 H PHE 26 5.628 -6.625 -1.174 228 HA PHE 26 HA PHE 26 4.893 -8.738 -2.985 229 HB2 PHE 26 HB2 PHE 26 6.178 -6.074 -3.649 230 HB3 PHE 26 HB3 PHE 26 5.286 -7.120 -4.745 231 HD1 PHE 26 HD1 PHE 26 2.806 -7.486 -4.273 232 HD2 PHE 26 HD2 PHE 26 5.108 -4.401 -2.461 233 HE1 PHE 26 HE1 PHE 26 0.742 -6.266 -3.740 234 HE2 PHE 26 HE2 PHE 26 3.044 -3.175 -1.921 235 HZ PHE 26 HZ PHE 26 0.863 -4.112 -2.559 236 HA PRO 27 HA PRO 27 8.936 -10.568 -3.604 237 HB2 PRO 27 HB2 PRO 27 8.126 -10.518 -6.474 238 HB3 PRO 27 HB3 PRO 27 8.738 -11.863 -5.505 239 HG2 PRO 27 HG2 PRO 27 6.154 -11.704 -6.134 240 HG3 PRO 27 HG3 PRO 27 6.672 -12.280 -4.537 241 HD2 PRO 27 HD2 PRO 27 5.516 -9.645 -5.322 242 HD3 PRO 27 HD3 PRO 27 5.297 -10.574 -3.825 243 H LYS 28 H LYS 28 7.856 -8.355 -6.169 244 HA LYS 28 HA LYS 28 9.659 -6.317 -5.492 245 HB2 LYS 28 HB2 LYS 28 11.145 -6.357 -7.461 246 HB3 LYS 28 HB3 LYS 28 11.387 -7.744 -6.410 247 HG2 LYS 28 HG2 LYS 28 9.965 -9.075 -7.976 248 HG3 LYS 28 HG3 LYS 28 9.967 -7.684 -9.064 249 HD2 LYS 28 HD2 LYS 28 12.372 -9.238 -8.112 250 HD3 LYS 28 HD3 LYS 28 11.687 -9.243 -9.737 251 HE2 LYS 28 HE2 LYS 28 12.292 -6.947 -10.066 252 HE3 LYS 28 HE3 LYS 28 12.786 -6.786 -8.380 253 HZ1 LYS 28 HZ1 LYS 28 14.099 -8.445 -10.467 254 HZ2 LYS 28 HZ2 LYS 28 14.531 -8.452 -8.828 255 HZ3 LYS 28 HZ3 LYS 28 14.719 -7.039 -9.745 256 H SER 29 H SER 29 7.971 -7.818 -8.218 257 HA SER 29 HA SER 29 6.015 -5.843 -8.431 258 HB2 SER 29 HB2 SER 29 6.707 -4.753 -10.549 259 HB3 SER 29 HB3 SER 29 7.818 -4.389 -9.232 260 HG SER 29 HG SER 29 9.367 -5.366 -10.269 261 H THR 30 H THR 30 5.570 -6.013 -11.245 262 HA THR 30 HA THR 30 4.565 -7.300 -12.772 263 HB THR 30 HB THR 30 5.906 -9.817 -11.953 264 HG1 THR 30 HG1 THR 30 7.751 -8.756 -11.694 265 HG21 THR 30 HG21 THR 30 6.368 -9.857 -14.381 266 HG22 THR 30 HG22 THR 30 5.627 -8.260 -14.517 267 HG23 THR 30 HG23 THR 30 4.650 -9.645 -14.028 268 H GLU 31 H GLU 31 3.692 -7.282 -9.825 269 HA GLU 31 HA GLU 31 2.015 -9.620 -9.661 270 HB2 GLU 31 HB2 GLU 31 2.520 -7.213 -8.016 271 HB3 GLU 31 HB3 GLU 31 0.890 -7.860 -7.920 272 HG2 GLU 31 HG2 GLU 31 2.346 -8.724 -6.160 273 HG3 GLU 31 HG3 GLU 31 1.731 -10.000 -7.206 274 H GLY 32 H GLY 32 -0.458 -8.793 -9.042 275 HA2 GLY 32 HA2 GLY 32 -1.534 -7.913 -11.558 276 HA3 GLY 32 HA3 GLY 32 -2.453 -8.299 -10.109 277 H ASN 33 H ASN 33 -3.736 -6.588 -9.779 278 HA ASN 33 HA ASN 33 -3.110 -3.929 -10.443 279 HB2 ASN 33 HB2 ASN 33 -5.038 -3.269 -9.124 280 HB3 ASN 33 HB3 ASN 33 -5.424 -4.713 -10.052 281 HD21 ASN 33 HD21 ASN 33 -6.466 -3.511 -7.511 282 HD22 ASN 33 HD22 ASN 33 -6.461 -4.829 -6.380 283 H LEU 34 H LEU 34 -2.472 -5.807 -7.573 284 HA LEU 34 HA LEU 34 -1.692 -3.682 -5.884 285 HB2 LEU 34 HB2 LEU 34 -0.872 -6.580 -5.915 286 HB3 LEU 34 HB3 LEU 34 -0.442 -5.454 -4.643 287 HG LEU 34 HG LEU 34 -3.251 -6.281 -5.384 288 HD11 LEU 34 HD11 LEU 34 -2.006 -8.042 -4.249 289 HD12 LEU 34 HD12 LEU 34 -3.252 -7.368 -3.200 290 HD13 LEU 34 HD13 LEU 34 -1.567 -6.912 -2.969 291 HD21 LEU 34 HD21 LEU 34 -3.145 -3.967 -4.608 292 HD22 LEU 34 HD22 LEU 34 -2.255 -4.486 -3.176 293 HD23 LEU 34 HD23 LEU 34 -3.923 -5.008 -3.415 294 H GLY 35 H GLY 35 -0.030 -5.483 -8.375 295 HA2 GLY 35 HA2 GLY 35 2.589 -4.513 -7.848 296 HA3 GLY 35 HA3 GLY 35 2.010 -5.132 -9.391 297 H GLY 36 H GLY 36 -0.122 -3.331 -9.744 298 HA2 GLY 36 HA2 GLY 36 1.214 -1.025 -10.762 299 HA3 GLY 36 HA3 GLY 36 -0.528 -1.276 -10.703 300 H TRP 37 H TRP 37 -0.813 -1.668 -7.941 301 HA TRP 37 HA TRP 37 -0.986 0.897 -6.858 302 HB2 TRP 37 HB2 TRP 37 -2.029 -1.311 -6.028 303 HB3 TRP 37 HB3 TRP 37 -0.512 -1.545 -5.162 304 HD1 TRP 37 HD1 TRP 37 -3.547 0.769 -5.294 305 HE1 TRP 37 HE1 TRP 37 -3.693 2.067 -3.097 306 HE3 TRP 37 HE3 TRP 37 0.848 -0.740 -3.153 307 HZ2 TRP 37 HZ2 TRP 37 -2.152 2.408 -0.737 308 HZ3 TRP 37 HZ3 TRP 37 1.439 0.120 -0.933 309 HH2 TRP 37 HH2 TRP 37 -0.032 1.662 0.250 310 H CYS 38 H CYS 38 1.493 -1.602 -6.345 311 HA CYS 38 HA CYS 38 3.201 -0.146 -4.695 312 HB2 CYS 38 HB2 CYS 38 3.403 -2.566 -5.066 313 HB3 CYS 38 HB3 CYS 38 3.891 -2.277 -6.732 314 HG CYS 38 HG CYS 38 6.286 -2.831 -5.781 315 H HIS 39 H HIS 39 3.306 -0.548 -8.238 316 HA HIS 39 HA HIS 39 5.500 1.089 -8.748 317 HB2 HIS 39 HB2 HIS 39 3.151 0.212 -10.370 318 HB3 HIS 39 HB3 HIS 39 4.189 1.482 -11.008 319 HD1 HIS 39 HD1 HIS 39 3.769 -1.965 -11.340 320 HD2 HIS 39 HD2 HIS 39 7.093 0.457 -10.705 321 HE1 HIS 39 HE1 HIS 39 5.749 -3.314 -12.097 322 HE2 HIS 39 HE2 HIS 39 7.694 -1.720 -11.969 323 H THR 40 H THR 40 2.063 1.932 -8.623 324 HA THR 40 HA THR 40 2.341 4.641 -9.302 325 HB THR 40 HB THR 40 0.225 3.384 -7.540 326 HG1 THR 40 HG1 THR 40 0.297 2.346 -9.549 327 HG21 THR 40 HG21 THR 40 0.173 5.913 -9.191 328 HG22 THR 40 HG22 THR 40 0.211 5.824 -7.432 329 HG23 THR 40 HG23 THR 40 -1.195 5.231 -8.313 330 H GLN 41 H GLN 41 2.445 2.982 -6.186 331 HA GLN 41 HA GLN 41 2.332 5.292 -4.578 332 HB2 GLN 41 HB2 GLN 41 2.401 2.519 -4.179 333 HB3 GLN 41 HB3 GLN 41 3.783 3.157 -3.297 334 HG2 GLN 41 HG2 GLN 41 1.802 3.028 -1.887 335 HG3 GLN 41 HG3 GLN 41 2.342 4.691 -2.094 336 HE21 GLN 41 HE21 GLN 41 0.605 2.894 -4.544 337 HE22 GLN 41 HE22 GLN 41 -0.858 3.813 -4.449 338 H ARG 42 H ARG 42 4.970 3.705 -6.197 339 HA ARG 42 HA ARG 42 7.131 4.790 -4.807 340 HB2 ARG 42 HB2 ARG 42 7.294 3.024 -6.544 341 HB3 ARG 42 HB3 ARG 42 6.933 4.225 -7.773 342 HG2 ARG 42 HG2 ARG 42 9.232 4.786 -6.003 343 HG3 ARG 42 HG3 ARG 42 9.409 3.465 -7.159 344 HD2 ARG 42 HD2 ARG 42 8.865 4.961 -8.992 345 HD3 ARG 42 HD3 ARG 42 8.572 6.280 -7.859 346 HE ARG 42 HE ARG 42 10.946 6.236 -7.325 347 HH11 ARG 42 HH11 ARG 42 9.928 4.561 -10.233 348 HH12 ARG 42 HH12 ARG 42 11.492 4.643 -10.982 349 HH21 ARG 42 HH21 ARG 42 13.001 6.374 -8.337 350 HH22 ARG 42 HH22 ARG 42 13.212 5.707 -9.926 351 H LYS 43 H LYS 43 5.090 6.170 -7.335 352 HA LYS 43 HA LYS 43 6.657 8.602 -7.415 353 HB2 LYS 43 HB2 LYS 43 4.003 7.934 -8.702 354 HB3 LYS 43 HB3 LYS 43 4.862 9.449 -8.926 355 HG2 LYS 43 HG2 LYS 43 5.458 8.286 -10.809 356 HG3 LYS 43 HG3 LYS 43 6.803 7.915 -9.732 357 HD2 LYS 43 HD2 LYS 43 6.083 5.895 -10.815 358 HD3 LYS 43 HD3 LYS 43 5.666 5.808 -9.107 359 HE2 LYS 43 HE2 LYS 43 3.847 4.983 -10.514 360 HE3 LYS 43 HE3 LYS 43 3.370 6.424 -9.621 361 HZ1 LYS 43 HZ1 LYS 43 2.630 6.449 -11.942 362 HZ2 LYS 43 HZ2 LYS 43 4.246 6.405 -12.461 363 HZ3 LYS 43 HZ3 LYS 43 3.668 7.746 -11.596 364 H MET 44 H MET 44 3.714 7.429 -5.954 365 HA MET 44 HA MET 44 2.464 9.830 -5.288 366 HB2 MET 44 HB2 MET 44 2.517 7.330 -3.580 367 HB3 MET 44 HB3 MET 44 1.331 8.619 -3.495 368 HG2 MET 44 HG2 MET 44 1.734 6.738 -5.808 369 HG3 MET 44 HG3 MET 44 0.457 6.647 -4.603 370 HE1 MET 44 HE1 MET 44 0.682 9.497 -8.186 371 HE2 MET 44 HE2 MET 44 1.512 7.952 -8.006 372 HE3 MET 44 HE3 MET 44 2.047 9.353 -7.077 373 H ARG 45 H ARG 45 5.051 8.118 -3.579 374 HA ARG 45 HA ARG 45 4.989 9.835 -1.308 375 HB2 ARG 45 HB2 ARG 45 7.013 8.728 -0.613 376 HB3 ARG 45 HB3 ARG 45 5.891 7.533 -1.240 377 HG2 ARG 45 HG2 ARG 45 7.136 7.443 -3.330 378 HG3 ARG 45 HG3 ARG 45 8.244 8.680 -2.732 379 HD2 ARG 45 HD2 ARG 45 7.846 5.896 -1.646 380 HD3 ARG 45 HD3 ARG 45 9.281 6.539 -2.447 381 HE ARG 45 HE ARG 45 8.543 7.986 -0.075 382 HH11 ARG 45 HH11 ARG 45 10.381 5.309 -1.357 383 HH12 ARG 45 HH12 ARG 45 11.398 5.160 0.041 384 HH21 ARG 45 HH21 ARG 45 9.863 7.820 1.776 385 HH22 ARG 45 HH22 ARG 45 11.109 6.600 1.835 386 H LYS 46 H LYS 46 6.730 9.842 -4.343 387 HA LYS 46 HA LYS 46 8.521 11.958 -3.593 388 HB2 LYS 46 HB2 LYS 46 8.918 10.176 -5.375 389 HB3 LYS 46 HB3 LYS 46 7.805 11.074 -6.393 390 HG2 LYS 46 HG2 LYS 46 10.126 12.511 -5.206 391 HG3 LYS 46 HG3 LYS 46 10.397 11.424 -6.568 392 HD2 LYS 46 HD2 LYS 46 8.421 13.705 -6.542 393 HD3 LYS 46 HD3 LYS 46 10.034 13.776 -7.252 394 HE2 LYS 46 HE2 LYS 46 9.402 11.894 -8.742 395 HE3 LYS 46 HE3 LYS 46 7.765 11.968 -8.086 396 HZ1 LYS 46 HZ1 LYS 46 7.629 14.275 -8.880 397 HZ2 LYS 46 HZ2 LYS 46 7.877 13.178 -10.148 398 HZ3 LYS 46 HZ3 LYS 46 9.168 14.122 -9.582 399 H GLN 47 H GLN 47 5.403 11.654 -5.110 400 HA GLN 47 HA GLN 47 5.108 14.426 -5.774 401 HB2 GLN 47 HB2 GLN 47 3.114 12.164 -5.513 402 HB3 GLN 47 HB3 GLN 47 2.692 13.765 -6.087 403 HG2 GLN 47 HG2 GLN 47 4.279 13.494 -7.947 404 HG3 GLN 47 HG3 GLN 47 4.634 11.865 -7.377 405 HE21 GLN 47 HE21 GLN 47 1.468 13.401 -7.397 406 HE22 GLN 47 HE22 GLN 47 0.766 12.340 -8.575 407 H GLY 48 H GLY 48 4.879 12.585 -2.919 408 HA2 GLY 48 HA2 GLY 48 4.538 13.273 -0.744 409 HA3 GLY 48 HA3 GLY 48 4.293 14.905 -1.351 410 H LYS 49 H LYS 49 2.406 12.276 -2.603 411 HA LYS 49 HA LYS 49 0.061 13.466 -1.279 412 HB2 LYS 49 HB2 LYS 49 -1.239 12.475 -3.167 413 HB3 LYS 49 HB3 LYS 49 -0.096 13.723 -3.644 414 HG2 LYS 49 HG2 LYS 49 1.447 12.058 -4.448 415 HG3 LYS 49 HG3 LYS 49 0.401 10.764 -3.856 416 HD2 LYS 49 HD2 LYS 49 -0.414 12.802 -5.919 417 HD3 LYS 49 HD3 LYS 49 0.203 11.192 -6.301 418 HE2 LYS 49 HE2 LYS 49 -1.653 10.159 -5.176 419 HE3 LYS 49 HE3 LYS 49 -2.228 11.724 -4.600 420 HZ1 LYS 49 HZ1 LYS 49 -2.633 12.374 -6.897 421 HZ2 LYS 49 HZ2 LYS 49 -3.496 10.965 -6.512 422 HZ3 LYS 49 HZ3 LYS 49 -2.081 10.866 -7.446 423 H LEU 50 H LEU 50 2.012 10.827 -1.120 424 HA LEU 50 HA LEU 50 0.181 8.712 -0.717 425 HB2 LEU 50 HB2 LEU 50 2.972 9.087 -0.583 426 HB3 LEU 50 HB3 LEU 50 2.499 8.522 1.005 427 HG LEU 50 HG LEU 50 1.699 7.055 -1.500 428 HD11 LEU 50 HD11 LEU 50 4.132 7.232 -1.468 429 HD12 LEU 50 HD12 LEU 50 3.607 5.585 -1.119 430 HD13 LEU 50 HD13 LEU 50 4.157 6.631 0.189 431 HD21 LEU 50 HD21 LEU 50 1.554 5.155 0.060 432 HD22 LEU 50 HD22 LEU 50 0.453 6.461 0.491 433 HD23 LEU 50 HD23 LEU 50 1.951 6.237 1.392 434 HA PRO 51 HA PRO 51 -1.398 9.970 3.272 435 HB2 PRO 51 HB2 PRO 51 -2.499 7.308 3.594 436 HB3 PRO 51 HB3 PRO 51 -3.345 8.821 3.270 437 HG2 PRO 51 HG2 PRO 51 -3.152 6.785 1.463 438 HG3 PRO 51 HG3 PRO 51 -3.339 8.488 1.006 439 HD2 PRO 51 HD2 PRO 51 -0.867 6.801 1.071 440 HD3 PRO 51 HD3 PRO 51 -1.373 8.013 -0.119 441 H ASN 52 H ASN 52 -0.215 10.063 5.018 442 HA ASN 52 HA ASN 52 1.761 8.220 5.804 443 HB2 ASN 52 HB2 ASN 52 0.291 10.365 7.340 444 HB3 ASN 52 HB3 ASN 52 1.568 9.391 8.062 445 HD21 ASN 52 HD21 ASN 52 3.682 9.714 7.446 446 HD22 ASN 52 HD22 ASN 52 4.185 11.077 6.506 447 H ASP 53 H ASP 53 -1.641 8.492 6.507 448 HA ASP 53 HA ASP 53 -1.922 6.603 8.538 449 HB2 ASP 53 HB2 ASP 53 -3.794 7.055 6.198 450 HB3 ASP 53 HB3 ASP 53 -4.214 6.307 7.733 451 H ARG 54 H ARG 54 -2.058 6.167 5.018 452 HA ARG 54 HA ARG 54 -2.328 3.349 5.101 453 HB2 ARG 54 HB2 ARG 54 -2.589 5.250 3.160 454 HB3 ARG 54 HB3 ARG 54 -1.058 4.515 2.705 455 HG2 ARG 54 HG2 ARG 54 -3.622 2.995 3.142 456 HG3 ARG 54 HG3 ARG 54 -3.026 3.532 1.574 457 HD2 ARG 54 HD2 ARG 54 -1.051 2.140 1.808 458 HD3 ARG 54 HD3 ARG 54 -1.556 1.660 3.432 459 HE ARG 54 HE ARG 54 -3.320 1.069 1.170 460 HH11 ARG 54 HH11 ARG 54 -1.170 -0.048 3.681 461 HH12 ARG 54 HH12 ARG 54 -1.609 -1.715 3.506 462 HH21 ARG 54 HH21 ARG 54 -3.911 -1.132 0.917 463 HH22 ARG 54 HH22 ARG 54 -3.178 -2.333 1.925 464 H ARG 55 H ARG 55 0.400 5.538 5.001 465 HA ARG 55 HA ARG 55 2.447 3.705 4.437 466 HB2 ARG 55 HB2 ARG 55 2.524 6.284 4.602 467 HB3 ARG 55 HB3 ARG 55 2.743 6.041 6.324 468 HG2 ARG 55 HG2 ARG 55 4.567 4.785 4.303 469 HG3 ARG 55 HG3 ARG 55 4.815 6.423 4.903 470 HD2 ARG 55 HD2 ARG 55 4.900 5.528 7.206 471 HD3 ARG 55 HD3 ARG 55 4.751 3.896 6.550 472 HE ARG 55 HE ARG 55 6.931 5.340 5.389 473 HH11 ARG 55 HH11 ARG 55 5.963 3.487 8.189 474 HH12 ARG 55 HH12 ARG 55 7.571 3.004 8.599 475 HH21 ARG 55 HH21 ARG 55 9.073 4.711 5.913 476 HH22 ARG 55 HH22 ARG 55 9.355 3.710 7.308 477 H LEU 56 H LEU 56 0.955 4.707 7.491 478 HA LEU 56 HA LEU 56 2.554 2.981 9.107 479 HB2 LEU 56 HB2 LEU 56 1.539 4.956 10.064 480 HB3 LEU 56 HB3 LEU 56 -0.064 4.385 9.641 481 HG LEU 56 HG LEU 56 0.207 2.511 11.236 482 HD11 LEU 56 HD11 LEU 56 2.760 3.917 12.010 483 HD12 LEU 56 HD12 LEU 56 2.650 2.362 11.182 484 HD13 LEU 56 HD13 LEU 56 2.043 2.530 12.829 485 HD21 LEU 56 HD21 LEU 56 -0.009 3.854 13.269 486 HD22 LEU 56 HD22 LEU 56 -0.913 4.562 11.931 487 HD23 LEU 56 HD23 LEU 56 0.633 5.256 12.413 488 H LEU 57 H LEU 57 -0.706 2.770 7.717 489 HA LEU 57 HA LEU 57 -1.484 0.324 8.816 490 HB2 LEU 57 HB2 LEU 57 -2.116 1.346 6.043 491 HB3 LEU 57 HB3 LEU 57 -3.000 0.107 6.909 492 HG LEU 57 HG LEU 57 -2.835 3.023 7.658 493 HD11 LEU 57 HD11 LEU 57 -5.236 3.008 7.133 494 HD12 LEU 57 HD12 LEU 57 -5.086 1.342 6.572 495 HD13 LEU 57 HD13 LEU 57 -4.236 2.636 5.728 496 HD21 LEU 57 HD21 LEU 57 -2.951 1.624 9.643 497 HD22 LEU 57 HD22 LEU 57 -4.332 0.760 8.965 498 HD23 LEU 57 HD23 LEU 57 -4.477 2.469 9.381 499 H LEU 58 H LEU 58 0.383 1.043 5.911 500 HA LEU 58 HA LEU 58 0.567 -1.599 4.939 501 HB2 LEU 58 HB2 LEU 58 1.006 0.559 3.690 502 HB3 LEU 58 HB3 LEU 58 2.552 0.633 4.509 503 HG LEU 58 HG LEU 58 3.232 -1.467 3.431 504 HD11 LEU 58 HD11 LEU 58 1.857 -2.430 1.655 505 HD12 LEU 58 HD12 LEU 58 0.571 -1.279 2.025 506 HD13 LEU 58 HD13 LEU 58 1.035 -2.497 3.213 507 HD21 LEU 58 HD21 LEU 58 3.437 -0.598 1.158 508 HD22 LEU 58 HD22 LEU 58 3.734 0.668 2.351 509 HD23 LEU 58 HD23 LEU 58 2.190 0.604 1.497 510 H ASP 59 H ASP 59 2.728 0.349 6.961 511 HA ASP 59 HA ASP 59 4.754 -1.585 7.276 512 HB2 ASP 59 HB2 ASP 59 4.928 0.855 7.867 513 HB3 ASP 59 HB3 ASP 59 3.933 0.531 9.280 514 H LYS 60 H LYS 60 1.737 -1.002 8.985 515 HA LYS 60 HA LYS 60 2.282 -2.709 11.179 516 HB2 LYS 60 HB2 LYS 60 0.729 -0.938 11.489 517 HB3 LYS 60 HB3 LYS 60 -0.233 -1.442 10.112 518 HG2 LYS 60 HG2 LYS 60 0.028 -3.436 12.252 519 HG3 LYS 60 HG3 LYS 60 -0.856 -1.969 12.678 520 HD2 LYS 60 HD2 LYS 60 -1.431 -3.597 10.208 521 HD3 LYS 60 HD3 LYS 60 -2.252 -3.837 11.746 522 HE2 LYS 60 HE2 LYS 60 -2.181 -1.234 10.230 523 HE3 LYS 60 HE3 LYS 60 -3.507 -2.390 10.169 524 HZ1 LYS 60 HZ1 LYS 60 -4.036 -0.687 11.748 525 HZ2 LYS 60 HZ2 LYS 60 -2.564 -0.899 12.557 526 HZ3 LYS 60 HZ3 LYS 60 -3.735 -2.123 12.602 527 H ILE 61 H ILE 61 0.674 -3.208 8.062 528 HA ILE 61 HA ILE 61 -0.374 -5.767 8.811 529 HB ILE 61 HB ILE 61 -0.765 -6.061 6.319 530 HG12 ILE 61 HG12 ILE 61 0.123 -3.173 6.287 531 HG13 ILE 61 HG13 ILE 61 0.934 -4.517 5.498 532 HG21 ILE 61 HG21 ILE 61 -2.481 -5.321 7.903 533 HG22 ILE 61 HG22 ILE 61 -2.686 -4.594 6.310 534 HG23 ILE 61 HG23 ILE 61 -1.997 -3.646 7.631 535 HD11 ILE 61 HD11 ILE 61 -0.336 -3.175 3.916 536 HD12 ILE 61 HD12 ILE 61 -1.816 -3.501 4.822 537 HD13 ILE 61 HD13 ILE 61 -0.967 -4.819 4.017 538 H GLY 62 H GLY 62 2.736 -4.807 8.176 539 HA2 GLY 62 HA2 GLY 62 4.407 -6.498 8.635 540 HA3 GLY 62 HA3 GLY 62 3.438 -7.632 7.710 541 H PHE 63 H PHE 63 3.814 -4.468 6.405 542 HA PHE 63 HA PHE 63 5.370 -5.585 4.222 543 HB2 PHE 63 HB2 PHE 63 3.401 -4.113 3.789 544 HB3 PHE 63 HB3 PHE 63 4.269 -2.788 4.556 545 HD1 PHE 63 HD2 PHE 63 6.185 -1.751 3.453 546 HD2 PHE 63 HD1 PHE 63 3.957 -4.858 1.589 547 HE1 PHE 63 HE2 PHE 63 7.184 -1.159 1.282 548 HE2 PHE 63 HE1 PHE 63 4.945 -4.271 -0.582 549 HZ PHE 63 HZ PHE 63 6.559 -2.419 -0.740 550 H VAL 64 H VAL 64 7.466 -5.553 4.213 551 HA VAL 64 HA VAL 64 8.890 -3.665 5.886 552 HB VAL 64 HB VAL 64 9.474 -6.053 5.987 553 HG11 VAL 64 HG11 VAL 64 10.760 -7.081 4.146 554 HG12 VAL 64 HG12 VAL 64 10.381 -5.682 3.142 555 HG13 VAL 64 HG13 VAL 64 9.085 -6.729 3.716 556 HG21 VAL 64 HG21 VAL 64 11.908 -5.772 5.845 557 HG22 VAL 64 HG22 VAL 64 11.122 -4.390 6.612 558 HG23 VAL 64 HG23 VAL 64 11.670 -4.277 4.939 559 H TRP 65 H TRP 65 9.942 -1.959 5.136 560 HA TRP 65 HA TRP 65 9.513 -1.205 2.391 561 HB2 TRP 65 HB2 TRP 65 11.000 0.326 4.535 562 HB3 TRP 65 HB3 TRP 65 10.297 0.977 3.055 563 HD1 TRP 65 HD1 TRP 65 9.327 -0.260 6.538 564 HE1 TRP 65 HE1 TRP 65 6.922 0.487 7.054 565 HE3 TRP 65 HE3 TRP 65 8.077 1.590 1.940 566 HZ2 TRP 65 HZ2 TRP 65 4.772 1.709 5.672 567 HZ3 TRP 65 HZ3 TRP 65 5.823 2.529 1.618 568 HH2 TRP 65 HH2 TRP 65 4.207 2.584 3.447 569 H SER 66 H SER 66 12.172 -2.236 4.375 570 HA SER 66 HA SER 66 14.230 -1.421 2.582 571 HB2 SER 66 HB2 SER 66 14.272 -3.412 4.859 572 HB3 SER 66 HB3 SER 66 15.694 -2.746 4.054 573 HG SER 66 HG SER 66 15.333 -0.811 4.952 574 H LEU 67 H LEU 67 15.029 -2.443 0.871 575 HA LEU 67 HA LEU 67 13.776 -4.939 0.043 576 HB2 LEU 67 HB2 LEU 67 13.903 -3.133 -1.577 577 HB3 LEU 67 HB3 LEU 67 15.641 -3.033 -1.375 578 HG LEU 67 HG LEU 67 15.849 -5.318 -2.339 579 HD11 LEU 67 HD11 LEU 67 13.602 -6.111 -1.765 580 HD12 LEU 67 HD12 LEU 67 13.962 -6.310 -3.481 581 HD13 LEU 67 HD13 LEU 67 12.916 -4.993 -2.947 582 HD21 LEU 67 HD21 LEU 67 15.418 -4.654 -4.642 583 HD22 LEU 67 HD22 LEU 67 16.141 -3.329 -3.731 584 HD23 LEU 67 HD23 LEU 67 14.413 -3.319 -4.080 585 H GLU 68 H GLU 68 14.695 -6.856 0.214 586 HA GLU 68 HA GLU 68 16.206 -8.523 0.439 587 HB2 GLU 68 HB2 GLU 68 17.154 -7.387 -1.604 588 HB3 GLU 68 HB3 GLU 68 18.282 -6.560 -0.543 589 HG2 GLU 68 HG2 GLU 68 19.327 -8.602 0.070 590 HG3 GLU 68 HG3 GLU 68 18.073 -9.551 -0.726 591 H HIS 69 H HIS 69 15.875 -6.247 2.485 592 HA HIS 69 HA HIS 69 18.271 -6.782 4.091 593 HB2 HIS 69 HB2 HIS 69 16.176 -4.632 4.174 594 HB3 HIS 69 HB3 HIS 69 17.165 -4.965 5.591 595 HD1 HIS 69 HD1 HIS 69 17.639 -4.029 1.923 596 HD2 HIS 69 HD2 HIS 69 19.544 -3.670 5.603 597 HE1 HIS 69 HE1 HIS 69 19.616 -2.533 1.521 598 HE2 HIS 69 HE2 HIS 69 20.657 -2.197 3.791 599 H HIS 70 H HIS 70 16.823 -8.935 3.855 600 HA HIS 70 HA HIS 70 14.695 -9.294 5.685 601 HB2 HIS 70 HB2 HIS 70 15.256 -10.739 3.696 602 HB3 HIS 70 HB3 HIS 70 16.600 -11.390 4.620 603 HD1 HIS 70 HD1 HIS 70 16.038 -13.618 5.471 604 HD2 HIS 70 HD2 HIS 70 12.722 -11.111 5.432 605 HE1 HIS 70 HE1 HIS 70 14.133 -15.001 6.373 606 HE2 HIS 70 HE2 HIS 70 12.098 -13.546 6.057 607 H HIS 71 H HIS 71 14.795 -9.333 7.838 608 HA HIS 71 HA HIS 71 17.240 -8.951 9.195 609 HB2 HIS 71 HB2 HIS 71 14.573 -9.723 10.400 610 HB3 HIS 71 HB3 HIS 71 15.933 -8.998 11.249 611 HD1 HIS 71 HD1 HIS 71 12.789 -8.069 10.213 612 HD2 HIS 71 HD2 HIS 71 16.535 -6.344 9.654 613 HE1 HIS 71 HE1 HIS 71 12.353 -5.646 9.696 614 HE2 HIS 71 HE2 HIS 71 14.632 -4.591 9.513 615 H HIS 72 H HIS 72 18.681 -10.373 9.862 616 HA HIS 72 HA HIS 72 17.757 -12.981 10.806 617 HB2 HIS 72 HB2 HIS 72 19.552 -12.525 8.540 618 HB3 HIS 72 HB3 HIS 72 20.226 -13.598 9.760 619 HD1 HIS 72 HD1 HIS 72 18.996 -15.872 10.171 620 HD2 HIS 72 HD2 HIS 72 17.438 -13.575 7.062 621 HE1 HIS 72 HE1 HIS 72 17.510 -17.418 8.848 622 HE2 HIS 72 HE2 HIS 72 16.723 -16.053 6.881 623 H HIS 73 H HIS 73 18.035 -12.287 12.910 624 HA HIS 73 HA HIS 73 20.559 -11.308 13.843 625 HB2 HIS 73 HB2 HIS 73 18.382 -10.835 14.979 626 HB3 HIS 73 HB3 HIS 73 18.296 -12.530 15.442 627 HD1 HIS 73 HD1 HIS 73 20.357 -9.424 16.063 628 HD2 HIS 73 HD2 HIS 73 19.654 -13.171 17.737 629 HE1 HIS 73 HE1 HIS 73 21.503 -9.397 18.311 630 HE2 HIS 73 HE2 HIS 73 21.098 -11.688 19.288 631 H HIS 74 H HIS 74 19.246 -14.346 13.107 632 HA HIS 74 HA HIS 74 21.752 -15.601 13.876 633 HB2 HIS 74 HB2 HIS 74 20.683 -17.566 14.825 634 HB3 HIS 74 HB3 HIS 74 20.166 -16.142 15.715 635 HD1 HIS 74 HD1 HIS 74 17.674 -15.486 15.565 636 HD2 HIS 74 HD2 HIS 74 18.664 -18.921 13.435 637 HE1 HIS 74 HE1 HIS 74 15.492 -16.584 14.991 638 HE2 HIS 74 HE2 HIS 74 16.132 -18.786 13.961 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -34.952 -1.417 -3.631 2 H2 MET 1 H2 MET 1 -34.917 -1.232 -1.947 3 H3 MET 1 H3 MET 1 -35.791 -2.507 -2.638 4 HA MET 1 HA MET 1 -33.731 -3.295 -1.698 5 HB2 MET 1 HB2 MET 1 -32.901 -4.494 -3.644 6 HB3 MET 1 HB3 MET 1 -34.655 -4.404 -3.705 7 HG2 MET 1 HG2 MET 1 -34.535 -2.619 -5.338 8 HG3 MET 1 HG3 MET 1 -32.775 -2.623 -5.241 9 HE1 MET 1 HE1 MET 1 -34.415 -2.850 -7.981 10 HE2 MET 1 HE2 MET 1 -33.478 -4.096 -8.806 11 HE3 MET 1 HE3 MET 1 -32.655 -2.837 -7.886 12 H ASN 2 H ASN 2 -31.389 -3.379 -1.867 13 HA ASN 2 HA ASN 2 -30.125 -1.116 -3.211 14 HB2 ASN 2 HB2 ASN 2 -28.884 -0.426 -1.235 15 HB3 ASN 2 HB3 ASN 2 -30.611 -0.310 -0.926 16 HD21 ASN 2 HD21 ASN 2 -31.577 -1.738 0.511 17 HD22 ASN 2 HD22 ASN 2 -30.645 -2.680 1.630 18 H GLN 3 H GLN 3 -27.964 -1.410 -3.672 19 HA GLN 3 HA GLN 3 -26.494 -3.703 -2.796 20 HB2 GLN 3 HB2 GLN 3 -28.066 -4.626 -4.589 21 HB3 GLN 3 HB3 GLN 3 -27.191 -3.623 -5.737 22 HG2 GLN 3 HG2 GLN 3 -25.107 -4.794 -5.103 23 HG3 GLN 3 HG3 GLN 3 -26.061 -5.857 -4.070 24 HE21 GLN 3 HE21 GLN 3 -25.163 -5.050 -7.300 25 HE22 GLN 3 HE22 GLN 3 -25.914 -6.402 -8.075 26 H ASN 4 H ASN 4 -24.800 -2.411 -2.316 27 HA ASN 4 HA ASN 4 -24.093 -0.081 -3.697 28 HB2 ASN 4 HB2 ASN 4 -22.530 -1.830 -1.803 29 HB3 ASN 4 HB3 ASN 4 -21.879 -0.336 -2.469 30 HD21 ASN 4 HD21 ASN 4 -24.522 0.968 -2.443 31 HD22 ASN 4 HD22 ASN 4 -24.823 1.365 -0.786 32 H LEU 5 H LEU 5 -22.428 0.432 -5.070 33 HA LEU 5 HA LEU 5 -21.719 -1.514 -7.027 34 HB2 LEU 5 HB2 LEU 5 -22.024 0.932 -7.456 35 HB3 LEU 5 HB3 LEU 5 -20.549 1.233 -6.558 36 HG LEU 5 HG LEU 5 -19.314 -0.142 -8.241 37 HD11 LEU 5 HD11 LEU 5 -20.421 -0.591 -10.381 38 HD12 LEU 5 HD12 LEU 5 -21.951 -0.043 -9.697 39 HD13 LEU 5 HD13 LEU 5 -21.167 -1.485 -9.056 40 HD21 LEU 5 HD21 LEU 5 -19.339 2.288 -8.381 41 HD22 LEU 5 HD22 LEU 5 -20.845 2.230 -9.298 42 HD23 LEU 5 HD23 LEU 5 -19.366 1.568 -9.993 43 H GLN 6 H GLN 6 -19.822 -2.645 -7.264 44 HA GLN 6 HA GLN 6 -18.285 -3.009 -4.878 45 HB2 GLN 6 HB2 GLN 6 -18.828 -4.864 -6.420 46 HB3 GLN 6 HB3 GLN 6 -17.812 -4.123 -7.647 47 HG2 GLN 6 HG2 GLN 6 -16.666 -5.957 -6.548 48 HG3 GLN 6 HG3 GLN 6 -15.853 -4.425 -6.242 49 HE21 GLN 6 HE21 GLN 6 -15.740 -3.640 -4.173 50 HE22 GLN 6 HE22 GLN 6 -16.233 -4.553 -2.786 51 H GLY 7 H GLY 7 -17.166 -1.162 -4.386 52 HA2 GLY 7 HA2 GLY 7 -15.490 0.182 -6.284 53 HA3 GLY 7 HA3 GLY 7 -15.481 0.413 -4.537 54 H GLU 8 H GLU 8 -13.328 -0.101 -6.682 55 HA GLU 8 HA GLU 8 -12.349 -2.713 -6.170 56 HB2 GLU 8 HB2 GLU 8 -10.536 -2.211 -7.548 57 HB3 GLU 8 HB3 GLU 8 -11.837 -1.229 -8.202 58 HG2 GLU 8 HG2 GLU 8 -9.780 -0.178 -6.284 59 HG3 GLU 8 HG3 GLU 8 -9.590 -0.126 -8.029 60 H TRP 9 H TRP 9 -11.946 0.355 -4.600 61 HA TRP 9 HA TRP 9 -9.555 -0.092 -3.249 62 HB2 TRP 9 HB2 TRP 9 -10.567 2.095 -3.235 63 HB3 TRP 9 HB3 TRP 9 -11.979 1.488 -2.379 64 HD1 TRP 9 HD1 TRP 9 -11.809 2.754 -0.124 65 HE1 TRP 9 HE1 TRP 9 -10.063 2.865 1.771 66 HE3 TRP 9 HE3 TRP 9 -7.964 0.272 -2.411 67 HZ2 TRP 9 HZ2 TRP 9 -7.417 2.002 2.229 68 HZ3 TRP 9 HZ3 TRP 9 -5.867 -0.051 -1.173 69 HH2 TRP 9 HH2 TRP 9 -5.600 0.797 1.100 70 H MET 10 H MET 10 -12.875 -0.809 -2.147 71 HA MET 10 HA MET 10 -12.136 -1.897 0.327 72 HB2 MET 10 HB2 MET 10 -14.516 -1.511 -1.088 73 HB3 MET 10 HB3 MET 10 -14.438 -3.241 -0.807 74 HG2 MET 10 HG2 MET 10 -14.289 -1.089 1.295 75 HG3 MET 10 HG3 MET 10 -15.680 -2.110 0.947 76 HE1 MET 10 HE1 MET 10 -12.600 -1.582 3.059 77 HE2 MET 10 HE2 MET 10 -11.784 -2.475 1.774 78 HE3 MET 10 HE3 MET 10 -11.955 -3.194 3.375 79 H LYS 11 H LYS 11 -12.176 -3.251 -2.882 80 HA LYS 11 HA LYS 11 -11.841 -5.967 -2.010 81 HB2 LYS 11 HB2 LYS 11 -12.806 -4.943 -4.271 82 HB3 LYS 11 HB3 LYS 11 -11.128 -5.092 -4.773 83 HG2 LYS 11 HG2 LYS 11 -12.658 -7.389 -3.598 84 HG3 LYS 11 HG3 LYS 11 -12.679 -7.021 -5.320 85 HD2 LYS 11 HD2 LYS 11 -10.171 -7.531 -3.731 86 HD3 LYS 11 HD3 LYS 11 -11.026 -8.766 -4.654 87 HE2 LYS 11 HE2 LYS 11 -10.785 -7.082 -6.619 88 HE3 LYS 11 HE3 LYS 11 -9.513 -6.378 -5.623 89 HZ1 LYS 11 HZ1 LYS 11 -9.631 -9.192 -6.573 90 HZ2 LYS 11 HZ2 LYS 11 -8.420 -8.560 -5.568 91 HZ3 LYS 11 HZ3 LYS 11 -8.599 -7.981 -7.156 92 H ASN 12 H ASN 12 -9.761 -3.479 -3.495 93 HA ASN 12 HA ASN 12 -7.394 -5.006 -3.504 94 HB2 ASN 12 HB2 ASN 12 -7.806 -2.011 -3.489 95 HB3 ASN 12 HB3 ASN 12 -6.246 -2.784 -3.714 96 HD21 ASN 12 HD21 ASN 12 -7.632 -1.025 -5.491 97 HD22 ASN 12 HD22 ASN 12 -7.885 -1.888 -6.961 98 H TYR 13 H TYR 13 -8.856 -2.973 -1.023 99 HA TYR 13 HA TYR 13 -6.567 -2.790 0.627 100 HB2 TYR 13 HB2 TYR 13 -8.519 -1.318 0.905 101 HB3 TYR 13 HB3 TYR 13 -9.484 -2.699 1.419 102 HD1 TYR 13 HD2 TYR 13 -6.107 -1.356 2.309 103 HD2 TYR 13 HD1 TYR 13 -9.901 -2.691 3.686 104 HE1 TYR 13 HE2 TYR 13 -5.377 -1.004 4.628 105 HE2 TYR 13 HE1 TYR 13 -9.185 -2.336 6.013 106 HH TYR 13 HH TYR 13 -6.394 -0.591 6.830 107 H GLU 14 H GLU 14 -9.412 -4.928 0.829 108 HA GLU 14 HA GLU 14 -8.405 -6.607 2.841 109 HB2 GLU 14 HB2 GLU 14 -10.347 -7.228 0.602 110 HB3 GLU 14 HB3 GLU 14 -10.064 -8.261 1.998 111 HG2 GLU 14 HG2 GLU 14 -11.152 -5.456 2.065 112 HG3 GLU 14 HG3 GLU 14 -12.087 -6.939 2.260 113 H GLU 15 H GLU 15 -7.965 -6.525 -0.604 114 HA GLU 15 HA GLU 15 -6.673 -8.990 -0.997 115 HB2 GLU 15 HB2 GLU 15 -7.540 -7.292 -2.732 116 HB3 GLU 15 HB3 GLU 15 -6.014 -6.454 -2.489 117 HG2 GLU 15 HG2 GLU 15 -5.717 -7.796 -4.385 118 HG3 GLU 15 HG3 GLU 15 -4.876 -8.627 -3.076 119 H LEU 16 H LEU 16 -5.366 -5.731 -0.441 120 HA LEU 16 HA LEU 16 -2.655 -6.425 -0.399 121 HB2 LEU 16 HB2 LEU 16 -3.478 -4.128 -0.650 122 HB3 LEU 16 HB3 LEU 16 -4.050 -4.149 1.006 123 HG LEU 16 HG LEU 16 -1.700 -4.424 1.774 124 HD11 LEU 16 HD11 LEU 16 0.112 -3.965 0.191 125 HD12 LEU 16 HD12 LEU 16 -1.054 -3.973 -1.134 126 HD13 LEU 16 HD13 LEU 16 -0.756 -5.445 -0.210 127 HD21 LEU 16 HD21 LEU 16 -2.712 -2.228 1.749 128 HD22 LEU 16 HD22 LEU 16 -2.266 -2.017 0.055 129 HD23 LEU 16 HD23 LEU 16 -1.012 -2.118 1.291 130 H LYS 17 H LYS 17 -4.981 -6.071 2.269 131 HA LYS 17 HA LYS 17 -3.354 -6.603 4.443 132 HB2 LYS 17 HB2 LYS 17 -6.158 -7.614 3.926 133 HB3 LYS 17 HB3 LYS 17 -5.357 -7.658 5.487 134 HG2 LYS 17 HG2 LYS 17 -5.426 -5.329 5.711 135 HG3 LYS 17 HG3 LYS 17 -5.801 -5.094 4.001 136 HD2 LYS 17 HD2 LYS 17 -7.767 -4.776 5.448 137 HD3 LYS 17 HD3 LYS 17 -7.983 -6.091 4.302 138 HE2 LYS 17 HE2 LYS 17 -7.443 -7.709 6.055 139 HE3 LYS 17 HE3 LYS 17 -7.221 -6.393 7.207 140 HZ1 LYS 17 HZ1 LYS 17 -9.772 -6.931 5.774 141 HZ2 LYS 17 HZ2 LYS 17 -9.520 -5.824 7.033 142 HZ3 LYS 17 HZ3 LYS 17 -9.429 -7.486 7.339 143 H SER 18 H SER 18 -5.241 -8.932 2.604 144 HA SER 18 HA SER 18 -4.200 -11.247 3.787 145 HB2 SER 18 HB2 SER 18 -5.360 -10.983 1.004 146 HB3 SER 18 HB3 SER 18 -5.287 -12.450 1.983 147 HG SER 18 HG SER 18 -6.986 -10.245 2.175 148 H PHE 19 H PHE 19 -3.178 -9.505 0.857 149 HA PHE 19 HA PHE 19 -1.381 -11.520 -0.016 150 HB2 PHE 19 HB2 PHE 19 -2.371 -9.598 -1.392 151 HB3 PHE 19 HB3 PHE 19 -1.111 -8.591 -0.680 152 HD1 PHE 19 HD1 PHE 19 -1.832 -11.346 -2.966 153 HD2 PHE 19 HD2 PHE 19 1.214 -8.888 -1.295 154 HE1 PHE 19 HE1 PHE 19 -0.264 -12.124 -4.693 155 HE2 PHE 19 HE2 PHE 19 2.788 -9.665 -3.019 156 HZ PHE 19 HZ PHE 19 2.050 -11.283 -4.723 157 H VAL 20 H VAL 20 -0.863 -8.479 1.779 158 HA VAL 20 HA VAL 20 1.916 -8.900 2.137 159 HB VAL 20 HB VAL 20 -0.064 -7.167 3.597 160 HG11 VAL 20 HG11 VAL 20 2.897 -7.397 4.140 161 HG12 VAL 20 HG12 VAL 20 1.610 -7.886 5.242 162 HG13 VAL 20 HG13 VAL 20 1.815 -6.185 4.825 163 HG21 VAL 20 HG21 VAL 20 1.263 -5.383 2.569 164 HG22 VAL 20 HG22 VAL 20 0.624 -6.494 1.356 165 HG23 VAL 20 HG23 VAL 20 2.316 -6.598 1.846 166 H ARG 21 H ARG 21 -0.907 -9.773 4.067 167 HA ARG 21 HA ARG 21 0.460 -10.806 6.286 168 HB2 ARG 21 HB2 ARG 21 -1.994 -10.349 6.158 169 HB3 ARG 21 HB3 ARG 21 -2.173 -11.756 5.123 170 HG2 ARG 21 HG2 ARG 21 -0.928 -12.100 7.805 171 HG3 ARG 21 HG3 ARG 21 -2.674 -11.872 7.691 172 HD2 ARG 21 HD2 ARG 21 -2.811 -13.767 6.142 173 HD3 ARG 21 HD3 ARG 21 -1.068 -13.998 6.276 174 HE ARG 21 HE ARG 21 -2.647 -14.112 8.734 175 HH11 ARG 21 HH11 ARG 21 -0.915 -15.792 6.207 176 HH12 ARG 21 HH12 ARG 21 -0.770 -17.276 7.097 177 HH21 ARG 21 HH21 ARG 21 -2.480 -16.057 9.919 178 HH22 ARG 21 HH22 ARG 21 -1.666 -17.426 9.221 179 H LYS 22 H LYS 22 0.021 -12.047 3.086 180 HA LYS 22 HA LYS 22 0.761 -14.746 3.833 181 HB2 LYS 22 HB2 LYS 22 -0.286 -13.398 1.388 182 HB3 LYS 22 HB3 LYS 22 0.527 -14.940 1.230 183 HG2 LYS 22 HG2 LYS 22 -1.062 -15.984 2.713 184 HG3 LYS 22 HG3 LYS 22 -1.833 -14.427 3.018 185 HD2 LYS 22 HD2 LYS 22 -2.428 -14.282 0.631 186 HD3 LYS 22 HD3 LYS 22 -1.714 -15.877 0.376 187 HE2 LYS 22 HE2 LYS 22 -3.308 -16.823 1.995 188 HE3 LYS 22 HE3 LYS 22 -4.038 -15.232 2.184 189 HZ1 LYS 22 HZ1 LYS 22 -5.235 -16.723 0.643 190 HZ2 LYS 22 HZ2 LYS 22 -3.893 -16.689 -0.395 191 HZ3 LYS 22 HZ3 LYS 22 -4.753 -15.262 -0.070 192 H TYR 23 H TYR 23 1.972 -12.252 1.542 193 HA TYR 23 HA TYR 23 4.409 -13.872 1.237 194 HB2 TYR 23 HB2 TYR 23 3.251 -11.653 -0.455 195 HB3 TYR 23 HB3 TYR 23 4.802 -12.418 -0.771 196 HD1 TYR 23 HD2 TYR 23 1.153 -12.919 -0.741 197 HD2 TYR 23 HD1 TYR 23 4.927 -14.585 -1.790 198 HE1 TYR 23 HE2 TYR 23 0.016 -14.630 -2.092 199 HE2 TYR 23 HE1 TYR 23 3.800 -16.300 -3.145 200 HH TYR 23 HH TYR 23 1.699 -17.359 -3.398 201 H ARG 24 H ARG 24 3.285 -10.821 2.401 202 HA ARG 24 HA ARG 24 4.237 -8.914 3.119 203 HB2 ARG 24 HB2 ARG 24 6.490 -10.819 3.618 204 HB3 ARG 24 HB3 ARG 24 6.746 -9.091 3.823 205 HG2 ARG 24 HG2 ARG 24 6.187 -9.928 5.943 206 HG3 ARG 24 HG3 ARG 24 4.739 -9.109 5.355 207 HD2 ARG 24 HD2 ARG 24 3.729 -11.005 5.988 208 HD3 ARG 24 HD3 ARG 24 4.284 -11.575 4.419 209 HE ARG 24 HE ARG 24 6.355 -12.065 6.206 210 HH11 ARG 24 HH11 ARG 24 3.028 -13.142 5.810 211 HH12 ARG 24 HH12 ARG 24 3.346 -14.720 6.449 212 HH21 ARG 24 HH21 ARG 24 6.761 -14.143 7.003 213 HH22 ARG 24 HH22 ARG 24 5.459 -15.289 7.140 214 H ARG 25 H ARG 25 4.049 -7.743 1.393 215 HA ARG 25 HA ARG 25 4.710 -6.332 -0.276 216 HB2 ARG 25 HB2 ARG 25 7.344 -7.439 0.535 217 HB3 ARG 25 HB3 ARG 25 7.247 -6.712 -1.062 218 HG2 ARG 25 HG2 ARG 25 6.264 -5.254 1.357 219 HG3 ARG 25 HG3 ARG 25 7.974 -5.258 0.919 220 HD2 ARG 25 HD2 ARG 25 5.731 -4.402 -0.906 221 HD3 ARG 25 HD3 ARG 25 6.725 -3.300 0.044 222 HE ARG 25 HE ARG 25 8.440 -4.905 -1.479 223 HH11 ARG 25 HH11 ARG 25 6.026 -2.406 -1.978 224 HH12 ARG 25 HH12 ARG 25 6.756 -1.814 -3.433 225 HH21 ARG 25 HH21 ARG 25 9.408 -4.112 -3.384 226 HH22 ARG 25 HH22 ARG 25 8.694 -2.776 -4.230 227 H PHE 26 H PHE 26 5.466 -6.407 -2.576 228 HA PHE 26 HA PHE 26 5.302 -9.096 -3.714 229 HB2 PHE 26 HB2 PHE 26 4.018 -7.705 -5.639 230 HB3 PHE 26 HB3 PHE 26 3.187 -8.559 -4.346 231 HD1 PHE 26 HD2 PHE 26 2.216 -7.337 -2.475 232 HD2 PHE 26 HD1 PHE 26 4.046 -5.280 -5.728 233 HE1 PHE 26 HE2 PHE 26 1.129 -5.250 -1.770 234 HE2 PHE 26 HE1 PHE 26 2.959 -3.199 -5.020 235 HZ PHE 26 HZ PHE 26 1.501 -3.180 -3.042 236 HA PRO 27 HA PRO 27 9.038 -6.931 -5.254 237 HB2 PRO 27 HB2 PRO 27 10.398 -9.277 -5.653 238 HB3 PRO 27 HB3 PRO 27 10.401 -8.385 -4.128 239 HG2 PRO 27 HG2 PRO 27 8.790 -10.776 -4.926 240 HG3 PRO 27 HG3 PRO 27 9.580 -10.422 -3.378 241 HD2 PRO 27 HD2 PRO 27 6.933 -10.095 -3.747 242 HD3 PRO 27 HD3 PRO 27 7.874 -9.029 -2.686 243 H LYS 28 H LYS 28 9.257 -6.400 -7.319 244 HA LYS 28 HA LYS 28 9.251 -6.464 -9.594 245 HB2 LYS 28 HB2 LYS 28 10.498 -8.635 -9.109 246 HB3 LYS 28 HB3 LYS 28 8.972 -9.464 -9.367 247 HG2 LYS 28 HG2 LYS 28 8.925 -8.868 -11.647 248 HG3 LYS 28 HG3 LYS 28 10.221 -7.684 -11.443 249 HD2 LYS 28 HD2 LYS 28 11.777 -9.483 -10.894 250 HD3 LYS 28 HD3 LYS 28 10.484 -10.666 -11.087 251 HE2 LYS 28 HE2 LYS 28 10.312 -10.214 -13.417 252 HE3 LYS 28 HE3 LYS 28 11.373 -8.809 -13.281 253 HZ1 LYS 28 HZ1 LYS 28 13.225 -10.169 -12.897 254 HZ2 LYS 28 HZ2 LYS 28 12.401 -10.921 -14.176 255 HZ3 LYS 28 HZ3 LYS 28 12.280 -11.544 -12.603 256 H SER 29 H SER 29 6.874 -6.321 -7.936 257 HA SER 29 HA SER 29 4.629 -6.405 -7.936 258 HB2 SER 29 HB2 SER 29 3.530 -5.860 -10.124 259 HB3 SER 29 HB3 SER 29 4.840 -4.772 -9.675 260 HG SER 29 HG SER 29 5.933 -6.714 -11.075 261 H THR 30 H THR 30 4.992 -8.695 -7.262 262 HA THR 30 HA THR 30 4.552 -10.880 -8.921 263 HB THR 30 HB THR 30 3.496 -10.862 -6.124 264 HG1 THR 30 HG1 THR 30 6.227 -10.544 -6.907 265 HG21 THR 30 HG21 THR 30 3.528 -12.934 -7.427 266 HG22 THR 30 HG22 THR 30 4.635 -13.028 -6.056 267 HG23 THR 30 HG23 THR 30 5.262 -12.749 -7.679 268 H GLU 31 H GLU 31 2.313 -8.703 -7.314 269 HA GLU 31 HA GLU 31 0.073 -10.059 -8.654 270 HB2 GLU 31 HB2 GLU 31 -0.192 -10.085 -6.241 271 HB3 GLU 31 HB3 GLU 31 0.111 -8.358 -6.149 272 HG2 GLU 31 HG2 GLU 31 -2.270 -8.982 -5.902 273 HG3 GLU 31 HG3 GLU 31 -1.955 -7.862 -7.226 274 H GLY 32 H GLY 32 -0.765 -8.999 -10.327 275 HA2 GLY 32 HA2 GLY 32 0.204 -6.481 -11.162 276 HA3 GLY 32 HA3 GLY 32 -1.168 -7.336 -11.851 277 H ASN 33 H ASN 33 -2.680 -7.439 -9.395 278 HA ASN 33 HA ASN 33 -4.118 -5.036 -9.609 279 HB2 ASN 33 HB2 ASN 33 -4.101 -7.230 -7.547 280 HB3 ASN 33 HB3 ASN 33 -5.135 -5.815 -7.368 281 HD21 ASN 33 HD21 ASN 33 -5.760 -8.686 -7.811 282 HD22 ASN 33 HD22 ASN 33 -6.775 -8.703 -9.213 283 H LEU 34 H LEU 34 -2.004 -6.137 -6.961 284 HA LEU 34 HA LEU 34 -2.092 -3.594 -5.653 285 HB2 LEU 34 HB2 LEU 34 -0.416 -6.053 -5.250 286 HB3 LEU 34 HB3 LEU 34 -0.145 -4.591 -4.330 287 HG LEU 34 HG LEU 34 -1.437 -6.030 -2.965 288 HD11 LEU 34 HD11 LEU 34 -3.266 -3.978 -4.190 289 HD12 LEU 34 HD12 LEU 34 -2.114 -3.711 -2.881 290 HD13 LEU 34 HD13 LEU 34 -3.502 -4.771 -2.633 291 HD21 LEU 34 HD21 LEU 34 -2.248 -7.558 -4.665 292 HD22 LEU 34 HD22 LEU 34 -3.352 -6.325 -5.270 293 HD23 LEU 34 HD23 LEU 34 -3.575 -6.989 -3.651 294 H GLY 35 H GLY 35 -0.058 -5.093 -8.032 295 HA2 GLY 35 HA2 GLY 35 2.205 -3.439 -7.863 296 HA3 GLY 35 HA3 GLY 35 1.647 -4.258 -9.317 297 H GLY 36 H GLY 36 -0.858 -3.029 -9.593 298 HA2 GLY 36 HA2 GLY 36 -0.157 -0.546 -10.803 299 HA3 GLY 36 HA3 GLY 36 -1.788 -1.174 -10.594 300 H TRP 37 H TRP 37 -1.660 -1.459 -7.769 301 HA TRP 37 HA TRP 37 -2.484 1.069 -6.882 302 HB2 TRP 37 HB2 TRP 37 -2.826 -1.343 -5.883 303 HB3 TRP 37 HB3 TRP 37 -1.369 -0.957 -4.971 304 HD1 TRP 37 HD1 TRP 37 -4.848 0.605 -5.619 305 HE1 TRP 37 HE1 TRP 37 -5.600 1.797 -3.482 306 HE3 TRP 37 HE3 TRP 37 -0.691 -0.176 -2.751 307 HZ2 TRP 37 HZ2 TRP 37 -4.571 2.336 -0.901 308 HZ3 TRP 37 HZ3 TRP 37 -0.657 0.708 -0.460 309 HH2 TRP 37 HH2 TRP 37 -2.558 1.939 0.445 310 H CYS 38 H CYS 38 0.556 -0.700 -6.327 311 HA CYS 38 HA CYS 38 1.799 1.442 -4.944 312 HB2 CYS 38 HB2 CYS 38 2.809 -1.112 -6.134 313 HB3 CYS 38 HB3 CYS 38 3.929 0.094 -5.502 314 HG CYS 38 HG CYS 38 1.380 -0.899 -3.506 315 H HIS 39 H HIS 39 1.671 0.533 -8.341 316 HA HIS 39 HA HIS 39 3.821 1.968 -9.348 317 HB2 HIS 39 HB2 HIS 39 1.322 0.908 -10.428 318 HB3 HIS 39 HB3 HIS 39 1.871 2.352 -11.271 319 HD1 HIS 39 HD1 HIS 39 2.743 -1.228 -10.670 320 HD2 HIS 39 HD2 HIS 39 4.220 2.041 -12.771 321 HE1 HIS 39 HE1 HIS 39 4.491 -2.152 -12.221 322 HE2 HIS 39 HE2 HIS 39 5.204 -0.193 -13.629 323 H THR 40 H THR 40 0.632 3.108 -8.441 324 HA THR 40 HA THR 40 1.038 5.768 -9.425 325 HB THR 40 HB THR 40 -1.038 4.736 -7.480 326 HG1 THR 40 HG1 THR 40 -1.802 3.758 -9.196 327 HG21 THR 40 HG21 THR 40 -1.007 7.204 -9.225 328 HG22 THR 40 HG22 THR 40 -0.861 7.175 -7.467 329 HG23 THR 40 HG23 THR 40 -2.364 6.663 -8.237 330 H GLN 41 H GLN 41 1.214 4.198 -6.248 331 HA GLN 41 HA GLN 41 1.516 6.743 -4.934 332 HB2 GLN 41 HB2 GLN 41 1.197 3.938 -3.990 333 HB3 GLN 41 HB3 GLN 41 1.712 5.202 -2.874 334 HG2 GLN 41 HG2 GLN 41 -0.266 6.370 -3.065 335 HG3 GLN 41 HG3 GLN 41 -0.671 5.628 -4.611 336 HE21 GLN 41 HE21 GLN 41 -1.483 3.566 -4.657 337 HE22 GLN 41 HE22 GLN 41 -2.214 2.850 -3.273 338 H ARG 42 H ARG 42 3.673 4.294 -6.082 339 HA ARG 42 HA ARG 42 5.856 4.821 -4.378 340 HB2 ARG 42 HB2 ARG 42 7.276 3.921 -6.223 341 HB3 ARG 42 HB3 ARG 42 5.938 2.873 -5.787 342 HG2 ARG 42 HG2 ARG 42 5.833 2.756 -8.057 343 HG3 ARG 42 HG3 ARG 42 4.738 4.105 -7.765 344 HD2 ARG 42 HD2 ARG 42 6.681 5.642 -8.157 345 HD3 ARG 42 HD3 ARG 42 7.608 4.230 -8.670 346 HE ARG 42 HE ARG 42 5.100 5.022 -10.006 347 HH11 ARG 42 HH11 ARG 42 8.463 4.045 -10.134 348 HH12 ARG 42 HH12 ARG 42 8.527 4.069 -11.868 349 HH21 ARG 42 HH21 ARG 42 5.177 5.028 -12.284 350 HH22 ARG 42 HH22 ARG 42 6.666 4.621 -13.096 351 H LYS 43 H LYS 43 4.492 6.560 -7.034 352 HA LYS 43 HA LYS 43 6.648 8.327 -7.516 353 HB2 LYS 43 HB2 LYS 43 4.812 7.920 -9.093 354 HB3 LYS 43 HB3 LYS 43 3.669 8.594 -7.945 355 HG2 LYS 43 HG2 LYS 43 5.369 10.661 -8.179 356 HG3 LYS 43 HG3 LYS 43 5.514 9.937 -9.785 357 HD2 LYS 43 HD2 LYS 43 2.954 10.758 -8.419 358 HD3 LYS 43 HD3 LYS 43 3.745 11.592 -9.740 359 HE2 LYS 43 HE2 LYS 43 2.741 8.769 -9.923 360 HE3 LYS 43 HE3 LYS 43 1.793 10.174 -10.402 361 HZ1 LYS 43 HZ1 LYS 43 2.830 9.248 -12.325 362 HZ2 LYS 43 HZ2 LYS 43 4.358 9.268 -11.594 363 HZ3 LYS 43 HZ3 LYS 43 3.589 10.729 -11.989 364 H MET 44 H MET 44 3.705 8.444 -5.541 365 HA MET 44 HA MET 44 4.066 11.062 -4.549 366 HB2 MET 44 HB2 MET 44 2.626 8.892 -3.045 367 HB3 MET 44 HB3 MET 44 2.281 10.616 -3.070 368 HG2 MET 44 HG2 MET 44 1.809 8.629 -5.270 369 HG3 MET 44 HG3 MET 44 0.597 9.476 -4.311 370 HE1 MET 44 HE1 MET 44 0.475 10.789 -8.087 371 HE2 MET 44 HE2 MET 44 -0.433 9.923 -6.848 372 HE3 MET 44 HE3 MET 44 1.017 9.198 -7.547 373 H ARG 45 H ARG 45 5.173 7.919 -3.464 374 HA ARG 45 HA ARG 45 6.112 8.768 -0.918 375 HB2 ARG 45 HB2 ARG 45 5.712 6.374 -1.569 376 HB3 ARG 45 HB3 ARG 45 7.157 6.454 -2.566 377 HG2 ARG 45 HG2 ARG 45 7.372 7.175 0.318 378 HG3 ARG 45 HG3 ARG 45 7.230 5.474 -0.128 379 HD2 ARG 45 HD2 ARG 45 9.226 5.524 -1.368 380 HD3 ARG 45 HD3 ARG 45 9.261 7.286 -1.406 381 HE ARG 45 HE ARG 45 9.662 7.106 1.084 382 HH11 ARG 45 HH11 ARG 45 10.597 4.524 -1.094 383 HH12 ARG 45 HH12 ARG 45 11.955 4.027 -0.130 384 HH21 ARG 45 HH21 ARG 45 11.441 6.458 2.349 385 HH22 ARG 45 HH22 ARG 45 12.442 5.141 1.819 386 H LYS 46 H LYS 46 7.692 8.348 -4.054 387 HA LYS 46 HA LYS 46 10.279 9.127 -3.237 388 HB2 LYS 46 HB2 LYS 46 9.464 7.984 -5.438 389 HB3 LYS 46 HB3 LYS 46 9.203 9.624 -6.002 390 HG2 LYS 46 HG2 LYS 46 11.847 8.625 -4.981 391 HG3 LYS 46 HG3 LYS 46 11.375 8.578 -6.676 392 HD2 LYS 46 HD2 LYS 46 11.550 11.079 -4.992 393 HD3 LYS 46 HD3 LYS 46 12.792 10.527 -6.115 394 HE2 LYS 46 HE2 LYS 46 11.203 10.715 -7.967 395 HE3 LYS 46 HE3 LYS 46 9.957 11.257 -6.845 396 HZ1 LYS 46 HZ1 LYS 46 10.970 13.126 -7.980 397 HZ2 LYS 46 HZ2 LYS 46 12.507 12.670 -7.425 398 HZ3 LYS 46 HZ3 LYS 46 11.331 13.188 -6.321 399 H GLN 47 H GLN 47 7.571 10.909 -4.660 400 HA GLN 47 HA GLN 47 8.880 13.406 -4.804 401 HB2 GLN 47 HB2 GLN 47 6.549 12.369 -5.751 402 HB3 GLN 47 HB3 GLN 47 5.956 13.410 -4.465 403 HG2 GLN 47 HG2 GLN 47 5.989 14.561 -6.596 404 HG3 GLN 47 HG3 GLN 47 7.101 15.309 -5.449 405 HE21 GLN 47 HE21 GLN 47 6.798 13.499 -8.388 406 HE22 GLN 47 HE22 GLN 47 8.444 13.650 -8.894 407 H GLY 48 H GLY 48 7.034 11.799 -2.299 408 HA2 GLY 48 HA2 GLY 48 7.419 12.158 -0.013 409 HA3 GLY 48 HA3 GLY 48 8.091 13.735 -0.391 410 H LYS 49 H LYS 49 4.929 12.415 -1.378 411 HA LYS 49 HA LYS 49 3.679 14.353 0.455 412 HB2 LYS 49 HB2 LYS 49 2.729 13.851 -2.360 413 HB3 LYS 49 HB3 LYS 49 1.984 14.922 -1.185 414 HG2 LYS 49 HG2 LYS 49 3.126 16.460 -2.334 415 HG3 LYS 49 HG3 LYS 49 4.427 15.991 -1.247 416 HD2 LYS 49 HD2 LYS 49 5.089 16.104 -3.648 417 HD3 LYS 49 HD3 LYS 49 5.355 14.527 -2.896 418 HE2 LYS 49 HE2 LYS 49 4.382 14.167 -5.049 419 HE3 LYS 49 HE3 LYS 49 3.184 13.778 -3.827 420 HZ1 LYS 49 HZ1 LYS 49 3.291 16.333 -5.354 421 HZ2 LYS 49 HZ2 LYS 49 2.124 15.905 -4.197 422 HZ3 LYS 49 HZ3 LYS 49 2.224 15.044 -5.652 423 H LEU 50 H LEU 50 3.979 11.213 -0.308 424 HA LEU 50 HA LEU 50 1.415 10.144 -0.321 425 HB2 LEU 50 HB2 LEU 50 4.077 9.192 0.427 426 HB3 LEU 50 HB3 LEU 50 2.801 8.416 1.341 427 HG LEU 50 HG LEU 50 3.170 8.409 -1.653 428 HD11 LEU 50 HD11 LEU 50 3.199 6.213 0.410 429 HD12 LEU 50 HD12 LEU 50 4.599 6.868 -0.442 430 HD13 LEU 50 HD13 LEU 50 3.355 5.992 -1.333 431 HD21 LEU 50 HD21 LEU 50 1.177 6.989 -1.756 432 HD22 LEU 50 HD22 LEU 50 0.793 8.606 -1.165 433 HD23 LEU 50 HD23 LEU 50 0.898 7.259 -0.034 434 HA PRO 51 HA PRO 51 -0.391 11.323 3.562 435 HB2 PRO 51 HB2 PRO 51 -1.855 8.758 3.338 436 HB3 PRO 51 HB3 PRO 51 -2.478 10.403 3.494 437 HG2 PRO 51 HG2 PRO 51 -2.614 9.107 1.174 438 HG3 PRO 51 HG3 PRO 51 -2.256 10.845 1.233 439 HD2 PRO 51 HD2 PRO 51 -0.397 8.540 0.806 440 HD3 PRO 51 HD3 PRO 51 -0.426 10.132 0.028 441 H ASN 52 H ASN 52 -0.003 10.999 5.621 442 HA ASN 52 HA ASN 52 1.873 9.079 6.507 443 HB2 ASN 52 HB2 ASN 52 -0.005 10.860 8.071 444 HB3 ASN 52 HB3 ASN 52 1.235 9.859 8.814 445 HD21 ASN 52 HD21 ASN 52 3.398 10.426 8.588 446 HD22 ASN 52 HD22 ASN 52 3.886 11.982 8.015 447 H ASP 53 H ASP 53 -1.592 9.079 6.338 448 HA ASP 53 HA ASP 53 -2.025 6.938 8.182 449 HB2 ASP 53 HB2 ASP 53 -3.760 8.013 5.946 450 HB3 ASP 53 HB3 ASP 53 -4.275 6.758 7.066 451 H ARG 54 H ARG 54 -1.750 7.166 4.672 452 HA ARG 54 HA ARG 54 -2.100 4.470 4.050 453 HB2 ARG 54 HB2 ARG 54 -0.622 6.706 2.696 454 HB3 ARG 54 HB3 ARG 54 -0.561 5.070 2.049 455 HG2 ARG 54 HG2 ARG 54 -3.078 6.649 2.534 456 HG3 ARG 54 HG3 ARG 54 -2.280 6.444 0.971 457 HD2 ARG 54 HD2 ARG 54 -2.673 4.095 0.987 458 HD3 ARG 54 HD3 ARG 54 -3.227 4.138 2.663 459 HE ARG 54 HE ARG 54 -4.698 5.400 0.429 460 HH11 ARG 54 HH11 ARG 54 -4.611 3.564 3.406 461 HH12 ARG 54 HH12 ARG 54 -6.340 3.453 3.546 462 HH21 ARG 54 HH21 ARG 54 -6.961 5.267 0.603 463 HH22 ARG 54 HH22 ARG 54 -7.677 4.430 1.946 464 H ARG 55 H ARG 55 0.904 6.268 4.675 465 HA ARG 55 HA ARG 55 2.580 4.029 4.270 466 HB2 ARG 55 HB2 ARG 55 4.353 5.375 5.294 467 HB3 ARG 55 HB3 ARG 55 3.438 6.306 4.119 468 HG2 ARG 55 HG2 ARG 55 3.046 7.861 5.623 469 HG3 ARG 55 HG3 ARG 55 2.255 6.680 6.673 470 HD2 ARG 55 HD2 ARG 55 5.181 7.393 6.574 471 HD3 ARG 55 HD3 ARG 55 4.054 7.649 7.905 472 HE ARG 55 HE ARG 55 3.961 4.995 7.661 473 HH11 ARG 55 HH11 ARG 55 6.656 7.204 7.857 474 HH12 ARG 55 HH12 ARG 55 7.770 6.004 8.456 475 HH21 ARG 55 HH21 ARG 55 5.399 3.412 8.466 476 HH22 ARG 55 HH22 ARG 55 7.047 3.837 8.805 477 H LEU 56 H LEU 56 0.812 5.191 7.042 478 HA LEU 56 HA LEU 56 2.159 3.514 8.946 479 HB2 LEU 56 HB2 LEU 56 0.042 5.501 8.988 480 HB3 LEU 56 HB3 LEU 56 -0.366 4.114 9.975 481 HG LEU 56 HG LEU 56 0.675 5.800 11.349 482 HD11 LEU 56 HD11 LEU 56 2.552 3.497 10.843 483 HD12 LEU 56 HD12 LEU 56 1.145 3.484 11.906 484 HD13 LEU 56 HD13 LEU 56 2.527 4.511 12.286 485 HD21 LEU 56 HD21 LEU 56 2.972 6.543 10.968 486 HD22 LEU 56 HD22 LEU 56 1.925 6.977 9.616 487 HD23 LEU 56 HD23 LEU 56 3.030 5.611 9.473 488 H LEU 57 H LEU 57 -0.879 3.387 7.144 489 HA LEU 57 HA LEU 57 -1.939 1.071 8.285 490 HB2 LEU 57 HB2 LEU 57 -2.662 2.850 6.284 491 HB3 LEU 57 HB3 LEU 57 -2.493 1.323 5.439 492 HG LEU 57 HG LEU 57 -4.072 0.297 7.061 493 HD11 LEU 57 HD11 LEU 57 -5.416 1.789 8.476 494 HD12 LEU 57 HD12 LEU 57 -4.373 3.138 8.022 495 HD13 LEU 57 HD13 LEU 57 -3.713 1.783 8.941 496 HD21 LEU 57 HD21 LEU 57 -5.104 2.716 5.588 497 HD22 LEU 57 HD22 LEU 57 -6.078 1.357 6.151 498 HD23 LEU 57 HD23 LEU 57 -4.855 1.112 4.902 499 H LEU 58 H LEU 58 0.116 1.478 5.426 500 HA LEU 58 HA LEU 58 0.277 -1.271 4.786 501 HB2 LEU 58 HB2 LEU 58 1.843 1.166 4.052 502 HB3 LEU 58 HB3 LEU 58 2.497 -0.412 3.658 503 HG LEU 58 HG LEU 58 0.534 -0.922 2.297 504 HD11 LEU 58 HD11 LEU 58 -0.410 1.851 3.015 505 HD12 LEU 58 HD12 LEU 58 -1.154 0.333 3.519 506 HD13 LEU 58 HD13 LEU 58 -1.146 0.788 1.815 507 HD21 LEU 58 HD21 LEU 58 1.763 1.750 1.648 508 HD22 LEU 58 HD22 LEU 58 0.909 0.707 0.510 509 HD23 LEU 58 HD23 LEU 58 2.424 0.167 1.237 510 H ASP 59 H ASP 59 2.368 0.869 6.668 511 HA ASP 59 HA ASP 59 4.380 -1.005 7.259 512 HB2 ASP 59 HB2 ASP 59 4.593 1.450 7.580 513 HB3 ASP 59 HB3 ASP 59 3.465 1.353 8.928 514 H LYS 60 H LYS 60 1.227 -0.457 8.613 515 HA LYS 60 HA LYS 60 1.550 -1.839 11.035 516 HB2 LYS 60 HB2 LYS 60 -0.290 -0.180 10.079 517 HB3 LYS 60 HB3 LYS 60 -1.074 -1.687 9.629 518 HG2 LYS 60 HG2 LYS 60 -0.194 -0.975 12.414 519 HG3 LYS 60 HG3 LYS 60 -1.833 -0.793 11.787 520 HD2 LYS 60 HD2 LYS 60 -0.311 -3.387 11.947 521 HD3 LYS 60 HD3 LYS 60 -1.526 -2.844 13.091 522 HE2 LYS 60 HE2 LYS 60 -3.146 -2.721 11.180 523 HE3 LYS 60 HE3 LYS 60 -1.920 -3.502 10.185 524 HZ1 LYS 60 HZ1 LYS 60 -1.940 -5.391 11.701 525 HZ2 LYS 60 HZ2 LYS 60 -3.484 -5.120 11.054 526 HZ3 LYS 60 HZ3 LYS 60 -3.135 -4.641 12.644 527 H ILE 61 H ILE 61 0.076 -2.814 7.908 528 HA ILE 61 HA ILE 61 -0.495 -5.454 8.807 529 HB ILE 61 HB ILE 61 -0.801 -5.973 6.345 530 HG12 ILE 61 HG12 ILE 61 -0.366 -2.992 6.096 531 HG13 ILE 61 HG13 ILE 61 0.702 -4.239 5.464 532 HG21 ILE 61 HG21 ILE 61 -2.901 -4.741 6.199 533 HG22 ILE 61 HG22 ILE 61 -2.371 -3.681 7.507 534 HG23 ILE 61 HG23 ILE 61 -2.650 -5.394 7.820 535 HD11 ILE 61 HD11 ILE 61 -0.687 -3.301 3.712 536 HD12 ILE 61 HD12 ILE 61 -2.139 -3.747 4.609 537 HD13 ILE 61 HD13 ILE 61 -1.074 -5.002 3.972 538 H GLY 62 H GLY 62 2.359 -3.996 7.577 539 HA2 GLY 62 HA2 GLY 62 4.396 -5.260 8.154 540 HA3 GLY 62 HA3 GLY 62 3.598 -6.675 7.481 541 H PHE 63 H PHE 63 3.203 -3.656 5.863 542 HA PHE 63 HA PHE 63 4.619 -4.681 3.557 543 HB2 PHE 63 HB2 PHE 63 2.426 -3.517 3.362 544 HB3 PHE 63 HB3 PHE 63 3.177 -2.048 3.966 545 HD1 PHE 63 HD2 PHE 63 4.851 -0.863 2.578 546 HD2 PHE 63 HD1 PHE 63 2.619 -4.173 1.104 547 HE1 PHE 63 HE2 PHE 63 5.404 -0.202 0.279 548 HE2 PHE 63 HE1 PHE 63 3.169 -3.516 -1.205 549 HZ PHE 63 HZ PHE 63 4.563 -1.527 -1.617 550 H VAL 64 H VAL 64 6.725 -4.608 3.732 551 HA VAL 64 HA VAL 64 8.083 -2.434 5.022 552 HB VAL 64 HB VAL 64 8.771 -4.859 5.143 553 HG11 VAL 64 HG11 VAL 64 10.118 -5.787 3.348 554 HG12 VAL 64 HG12 VAL 64 9.824 -4.351 2.368 555 HG13 VAL 64 HG13 VAL 64 8.486 -5.418 2.788 556 HG21 VAL 64 HG21 VAL 64 10.860 -2.892 4.219 557 HG22 VAL 64 HG22 VAL 64 11.170 -4.380 5.115 558 HG23 VAL 64 HG23 VAL 64 10.253 -3.072 5.863 559 H TRP 65 H TRP 65 9.670 -1.091 3.957 560 HA TRP 65 HA TRP 65 8.711 -0.319 1.308 561 HB2 TRP 65 HB2 TRP 65 10.581 1.152 3.179 562 HB3 TRP 65 HB3 TRP 65 9.823 1.802 1.727 563 HD1 TRP 65 HD1 TRP 65 9.152 1.090 5.386 564 HE1 TRP 65 HE1 TRP 65 6.854 2.048 6.032 565 HE3 TRP 65 HE3 TRP 65 7.444 2.305 0.725 566 HZ2 TRP 65 HZ2 TRP 65 4.615 3.174 4.741 567 HZ3 TRP 65 HZ3 TRP 65 5.210 3.318 0.517 568 HH2 TRP 65 HH2 TRP 65 3.826 3.742 2.484 569 H SER 66 H SER 66 10.530 -2.620 1.818 570 HA SER 66 HA SER 66 13.111 -1.927 0.856 571 HB2 SER 66 HB2 SER 66 11.735 -4.625 0.835 572 HB3 SER 66 HB3 SER 66 13.463 -4.334 0.641 573 HG SER 66 HG SER 66 13.523 -3.523 2.757 574 H LEU 67 H LEU 67 13.008 -0.809 -1.004 575 HA LEU 67 HA LEU 67 12.407 -2.357 -3.394 576 HB2 LEU 67 HB2 LEU 67 11.301 -0.296 -4.409 577 HB3 LEU 67 HB3 LEU 67 10.353 -1.229 -3.270 578 HG LEU 67 HG LEU 67 11.123 0.500 -1.514 579 HD11 LEU 67 HD11 LEU 67 11.613 2.719 -2.381 580 HD12 LEU 67 HD12 LEU 67 11.634 2.085 -4.027 581 HD13 LEU 67 HD13 LEU 67 12.856 1.565 -2.865 582 HD21 LEU 67 HD21 LEU 67 9.273 1.981 -2.103 583 HD22 LEU 67 HD22 LEU 67 8.837 0.285 -2.309 584 HD23 LEU 67 HD23 LEU 67 9.218 1.274 -3.718 585 H GLU 68 H GLU 68 13.485 -1.468 -5.300 586 HA GLU 68 HA GLU 68 15.894 -0.048 -4.436 587 HB2 GLU 68 HB2 GLU 68 16.951 -1.014 -6.467 588 HB3 GLU 68 HB3 GLU 68 16.394 -2.216 -5.312 589 HG2 GLU 68 HG2 GLU 68 14.391 -2.565 -6.698 590 HG3 GLU 68 HG3 GLU 68 15.039 -1.423 -7.877 591 H HIS 69 H HIS 69 16.129 1.955 -4.957 592 HA HIS 69 HA HIS 69 15.562 2.964 -7.579 593 HB2 HIS 69 HB2 HIS 69 13.305 3.141 -6.603 594 HB3 HIS 69 HB3 HIS 69 13.962 4.039 -5.237 595 HD1 HIS 69 HD1 HIS 69 14.378 6.522 -5.544 596 HD2 HIS 69 HD2 HIS 69 13.237 4.602 -9.057 597 HE1 HIS 69 HE1 HIS 69 13.923 8.357 -7.205 598 HE2 HIS 69 HE2 HIS 69 13.078 7.182 -9.270 599 H HIS 70 H HIS 70 17.380 4.031 -7.928 600 HA HIS 70 HA HIS 70 19.125 4.910 -5.912 601 HB2 HIS 70 HB2 HIS 70 20.462 5.888 -7.648 602 HB3 HIS 70 HB3 HIS 70 19.791 4.392 -8.281 603 HD1 HIS 70 HD1 HIS 70 20.622 7.482 -9.529 604 HD2 HIS 70 HD2 HIS 70 17.067 5.328 -9.622 605 HE1 HIS 70 HE1 HIS 70 19.311 8.421 -11.452 606 HE2 HIS 70 HE2 HIS 70 17.073 7.271 -11.329 607 H HIS 71 H HIS 71 19.263 6.735 -4.749 608 HA HIS 71 HA HIS 71 17.334 8.872 -5.385 609 HB2 HIS 71 HB2 HIS 71 17.387 7.644 -3.086 610 HB3 HIS 71 HB3 HIS 71 18.807 8.638 -2.774 611 HD1 HIS 71 HD1 HIS 71 15.191 8.670 -2.582 612 HD2 HIS 71 HD2 HIS 71 18.192 11.521 -2.937 613 HE1 HIS 71 HE1 HIS 71 14.121 10.856 -1.948 614 HE2 HIS 71 HE2 HIS 71 15.909 12.590 -2.342 615 H HIS 72 H HIS 72 18.081 10.766 -6.095 616 HA HIS 72 HA HIS 72 21.001 11.174 -6.005 617 HB2 HIS 72 HB2 HIS 72 19.949 10.578 -8.241 618 HB3 HIS 72 HB3 HIS 72 19.143 12.140 -8.173 619 HD1 HIS 72 HD1 HIS 72 20.484 14.177 -8.836 620 HD2 HIS 72 HD2 HIS 72 22.791 10.730 -8.523 621 HE1 HIS 72 HE1 HIS 72 22.719 14.765 -9.824 622 HE2 HIS 72 HE2 HIS 72 24.028 12.605 -9.808 623 H HIS 73 H HIS 73 21.733 13.096 -5.250 624 HA HIS 73 HA HIS 73 19.947 15.399 -5.268 625 HB2 HIS 73 HB2 HIS 73 20.481 15.955 -2.900 626 HB3 HIS 73 HB3 HIS 73 19.508 14.504 -3.077 627 HD1 HIS 73 HD1 HIS 73 20.156 13.122 -1.109 628 HD2 HIS 73 HD2 HIS 73 23.477 14.713 -3.050 629 HE1 HIS 73 HE1 HIS 73 22.160 12.128 0.043 630 HE2 HIS 73 HE2 HIS 73 24.153 13.236 -1.037 631 H HIS 74 H HIS 74 20.979 17.396 -5.225 632 HA HIS 74 HA HIS 74 23.906 17.422 -4.988 633 HB2 HIS 74 HB2 HIS 74 22.272 18.286 -7.302 634 HB3 HIS 74 HB3 HIS 74 23.522 19.413 -6.788 635 HD1 HIS 74 HD1 HIS 74 25.866 18.916 -7.483 636 HD2 HIS 74 HD2 HIS 74 23.300 15.706 -8.099 637 HE1 HIS 74 HE1 HIS 74 27.187 17.232 -8.805 638 HE2 HIS 74 HE2 HIS 74 25.506 15.460 -9.420 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -26.279 7.118 -13.493 2 H2 MET 1 H2 MET 1 -24.685 7.657 -13.729 3 H3 MET 1 H3 MET 1 -25.231 7.290 -12.168 4 HA MET 1 HA MET 1 -25.479 4.976 -12.759 5 HB2 MET 1 HB2 MET 1 -24.288 5.873 -15.394 6 HB3 MET 1 HB3 MET 1 -24.500 4.198 -14.907 7 HG2 MET 1 HG2 MET 1 -26.929 4.560 -14.813 8 HG3 MET 1 HG3 MET 1 -26.683 6.212 -15.373 9 HE1 MET 1 HE1 MET 1 -28.269 5.965 -17.444 10 HE2 MET 1 HE2 MET 1 -28.679 4.347 -16.878 11 HE3 MET 1 HE3 MET 1 -28.217 4.603 -18.562 12 H ASN 2 H ASN 2 -23.805 3.617 -12.193 13 HA ASN 2 HA ASN 2 -21.082 4.724 -12.293 14 HB2 ASN 2 HB2 ASN 2 -22.457 3.534 -9.885 15 HB3 ASN 2 HB3 ASN 2 -20.705 3.642 -10.011 16 HD21 ASN 2 HD21 ASN 2 -23.655 5.384 -9.542 17 HD22 ASN 2 HD22 ASN 2 -22.932 6.902 -9.129 18 H GLN 3 H GLN 3 -20.226 3.433 -13.770 19 HA GLN 3 HA GLN 3 -20.298 0.537 -13.219 20 HB2 GLN 3 HB2 GLN 3 -20.001 1.964 -15.871 21 HB3 GLN 3 HB3 GLN 3 -19.747 0.241 -15.652 22 HG2 GLN 3 HG2 GLN 3 -21.901 0.412 -16.511 23 HG3 GLN 3 HG3 GLN 3 -22.141 0.161 -14.784 24 HE21 GLN 3 HE21 GLN 3 -24.190 1.070 -14.834 25 HE22 GLN 3 HE22 GLN 3 -24.441 2.768 -15.034 26 H ASN 4 H ASN 4 -18.437 3.383 -13.675 27 HA ASN 4 HA ASN 4 -15.938 1.818 -13.535 28 HB2 ASN 4 HB2 ASN 4 -16.412 4.536 -14.778 29 HB3 ASN 4 HB3 ASN 4 -14.837 3.770 -14.612 30 HD21 ASN 4 HD21 ASN 4 -15.749 1.115 -15.217 31 HD22 ASN 4 HD22 ASN 4 -16.120 1.081 -16.908 32 H LEU 5 H LEU 5 -14.305 2.566 -12.173 33 HA LEU 5 HA LEU 5 -13.452 3.358 -10.237 34 HB2 LEU 5 HB2 LEU 5 -15.104 5.709 -11.099 35 HB3 LEU 5 HB3 LEU 5 -14.235 5.729 -9.577 36 HG LEU 5 HG LEU 5 -12.133 5.254 -10.906 37 HD11 LEU 5 HD11 LEU 5 -13.910 6.028 -13.213 38 HD12 LEU 5 HD12 LEU 5 -13.176 4.445 -12.956 39 HD13 LEU 5 HD13 LEU 5 -12.157 5.847 -13.271 40 HD21 LEU 5 HD21 LEU 5 -13.613 7.814 -11.434 41 HD22 LEU 5 HD22 LEU 5 -11.867 7.582 -11.527 42 HD23 LEU 5 HD23 LEU 5 -12.698 7.426 -9.978 43 H GLN 6 H GLN 6 -15.366 1.575 -9.984 44 HA GLN 6 HA GLN 6 -17.493 2.360 -8.235 45 HB2 GLN 6 HB2 GLN 6 -18.034 0.019 -8.151 46 HB3 GLN 6 HB3 GLN 6 -17.580 0.412 -9.803 47 HG2 GLN 6 HG2 GLN 6 -15.337 -0.513 -9.380 48 HG3 GLN 6 HG3 GLN 6 -15.852 -0.961 -7.755 49 HE21 GLN 6 HE21 GLN 6 -14.885 -2.698 -9.819 50 HE22 GLN 6 HE22 GLN 6 -16.161 -3.819 -10.161 51 H GLY 7 H GLY 7 -17.578 0.550 -6.221 52 HA2 GLY 7 HA2 GLY 7 -15.604 1.523 -4.375 53 HA3 GLY 7 HA3 GLY 7 -16.867 0.348 -4.029 54 H GLU 8 H GLU 8 -14.058 0.456 -6.202 55 HA GLU 8 HA GLU 8 -13.457 -2.325 -5.791 56 HB2 GLU 8 HB2 GLU 8 -12.994 -0.720 -7.844 57 HB3 GLU 8 HB3 GLU 8 -11.507 -0.382 -6.971 58 HG2 GLU 8 HG2 GLU 8 -10.926 -2.070 -8.449 59 HG3 GLU 8 HG3 GLU 8 -11.174 -2.911 -6.920 60 H TRP 9 H TRP 9 -12.356 0.751 -4.600 61 HA TRP 9 HA TRP 9 -9.931 0.232 -3.459 62 HB2 TRP 9 HB2 TRP 9 -10.704 2.448 -3.397 63 HB3 TRP 9 HB3 TRP 9 -12.200 2.003 -2.590 64 HD1 TRP 9 HD1 TRP 9 -12.207 2.905 -0.217 65 HE1 TRP 9 HE1 TRP 9 -10.502 3.126 1.695 66 HE3 TRP 9 HE3 TRP 9 -8.080 1.083 -2.621 67 HZ2 TRP 9 HZ2 TRP 9 -7.760 2.585 2.120 68 HZ3 TRP 9 HZ3 TRP 9 -5.955 0.965 -1.390 69 HH2 TRP 9 HH2 TRP 9 -5.800 1.703 0.933 70 H MET 10 H MET 10 -13.086 -0.272 -1.885 71 HA MET 10 HA MET 10 -12.171 -1.071 0.607 72 HB2 MET 10 HB2 MET 10 -14.557 -0.653 -0.018 73 HB3 MET 10 HB3 MET 10 -14.580 -2.218 -0.806 74 HG2 MET 10 HG2 MET 10 -15.574 -2.554 1.284 75 HG3 MET 10 HG3 MET 10 -13.946 -3.212 1.428 76 HE1 MET 10 HE1 MET 10 -11.985 -0.916 2.035 77 HE2 MET 10 HE2 MET 10 -12.132 -2.345 3.057 78 HE3 MET 10 HE3 MET 10 -12.139 -0.738 3.783 79 H LYS 11 H LYS 11 -12.587 -2.948 -2.334 80 HA LYS 11 HA LYS 11 -11.875 -5.433 -1.121 81 HB2 LYS 11 HB2 LYS 11 -13.308 -5.378 -3.086 82 HB3 LYS 11 HB3 LYS 11 -12.054 -4.589 -4.020 83 HG2 LYS 11 HG2 LYS 11 -11.476 -7.251 -2.820 84 HG3 LYS 11 HG3 LYS 11 -12.512 -7.161 -4.243 85 HD2 LYS 11 HD2 LYS 11 -9.708 -6.066 -4.012 86 HD3 LYS 11 HD3 LYS 11 -10.188 -7.524 -4.885 87 HE2 LYS 11 HE2 LYS 11 -11.200 -4.750 -5.494 88 HE3 LYS 11 HE3 LYS 11 -9.866 -5.530 -6.340 89 HZ1 LYS 11 HZ1 LYS 11 -12.557 -6.759 -6.180 90 HZ2 LYS 11 HZ2 LYS 11 -11.289 -7.128 -7.247 91 HZ3 LYS 11 HZ3 LYS 11 -12.138 -5.665 -7.406 92 H ASN 12 H ASN 12 -10.239 -2.992 -3.058 93 HA ASN 12 HA ASN 12 -7.804 -4.304 -3.458 94 HB2 ASN 12 HB2 ASN 12 -8.400 -1.349 -3.226 95 HB3 ASN 12 HB3 ASN 12 -6.842 -1.996 -3.712 96 HD21 ASN 12 HD21 ASN 12 -8.628 -0.295 -5.211 97 HD22 ASN 12 HD22 ASN 12 -9.014 -1.157 -6.656 98 H TYR 13 H TYR 13 -8.924 -2.302 -0.773 99 HA TYR 13 HA TYR 13 -6.520 -2.204 0.671 100 HB2 TYR 13 HB2 TYR 13 -8.457 -0.808 1.234 101 HB3 TYR 13 HB3 TYR 13 -9.366 -2.239 1.704 102 HD1 TYR 13 HD1 TYR 13 -6.185 -0.458 2.533 103 HD2 TYR 13 HD2 TYR 13 -9.427 -2.831 3.942 104 HE1 TYR 13 HE1 TYR 13 -5.341 -0.241 4.832 105 HE2 TYR 13 HE2 TYR 13 -8.593 -2.615 6.244 106 HH TYR 13 HH TYR 13 -6.225 -0.383 7.139 107 H GLU 14 H GLU 14 -9.214 -4.518 0.844 108 HA GLU 14 HA GLU 14 -8.049 -6.203 2.781 109 HB2 GLU 14 HB2 GLU 14 -10.164 -6.667 0.688 110 HB3 GLU 14 HB3 GLU 14 -9.664 -7.923 1.812 111 HG2 GLU 14 HG2 GLU 14 -10.832 -5.252 2.558 112 HG3 GLU 14 HG3 GLU 14 -11.681 -6.799 2.566 113 H GLU 15 H GLU 15 -7.935 -6.164 -0.738 114 HA GLU 15 HA GLU 15 -6.584 -8.580 -1.162 115 HB2 GLU 15 HB2 GLU 15 -7.648 -7.034 -2.892 116 HB3 GLU 15 HB3 GLU 15 -6.192 -6.058 -2.776 117 HG2 GLU 15 HG2 GLU 15 -5.876 -7.415 -4.642 118 HG3 GLU 15 HG3 GLU 15 -4.911 -8.159 -3.368 119 H LEU 16 H LEU 16 -5.393 -5.294 -0.629 120 HA LEU 16 HA LEU 16 -2.655 -5.789 -0.803 121 HB2 LEU 16 HB2 LEU 16 -3.520 -3.553 -0.775 122 HB3 LEU 16 HB3 LEU 16 -4.209 -3.783 0.819 123 HG LEU 16 HG LEU 16 -1.833 -4.090 1.657 124 HD11 LEU 16 HD11 LEU 16 -0.794 -4.530 -0.515 125 HD12 LEU 16 HD12 LEU 16 -0.047 -3.162 0.305 126 HD13 LEU 16 HD13 LEU 16 -1.172 -2.884 -1.025 127 HD21 LEU 16 HD21 LEU 16 -3.114 -2.081 2.069 128 HD22 LEU 16 HD22 LEU 16 -2.650 -1.435 0.492 129 HD23 LEU 16 HD23 LEU 16 -1.426 -1.677 1.743 130 H LYS 17 H LYS 17 -4.796 -5.838 2.036 131 HA LYS 17 HA LYS 17 -2.936 -6.459 4.007 132 HB2 LYS 17 HB2 LYS 17 -5.785 -7.435 3.752 133 HB3 LYS 17 HB3 LYS 17 -4.821 -7.498 5.222 134 HG2 LYS 17 HG2 LYS 17 -4.835 -5.169 5.459 135 HG3 LYS 17 HG3 LYS 17 -5.401 -4.924 3.803 136 HD2 LYS 17 HD2 LYS 17 -7.197 -4.589 5.413 137 HD3 LYS 17 HD3 LYS 17 -7.530 -5.955 4.361 138 HE2 LYS 17 HE2 LYS 17 -6.767 -7.484 6.114 139 HE3 LYS 17 HE3 LYS 17 -6.451 -6.108 7.172 140 HZ1 LYS 17 HZ1 LYS 17 -8.725 -5.625 7.326 141 HZ2 LYS 17 HZ2 LYS 17 -8.641 -7.310 7.486 142 HZ3 LYS 17 HZ3 LYS 17 -9.130 -6.617 6.013 143 H SER 18 H SER 18 -4.991 -8.692 2.199 144 HA SER 18 HA SER 18 -3.900 -11.084 3.108 145 HB2 SER 18 HB2 SER 18 -5.974 -10.989 1.827 146 HB3 SER 18 HB3 SER 18 -5.098 -10.440 0.402 147 HG SER 18 HG SER 18 -5.264 -12.559 0.056 148 H PHE 19 H PHE 19 -2.950 -9.126 0.296 149 HA PHE 19 HA PHE 19 -1.007 -10.920 -0.691 150 HB2 PHE 19 HB2 PHE 19 -2.110 -9.025 -1.944 151 HB3 PHE 19 HB3 PHE 19 -1.048 -7.926 -1.076 152 HD1 PHE 19 HD2 PHE 19 -1.237 -10.537 -3.628 153 HD2 PHE 19 HD1 PHE 19 1.287 -7.760 -1.624 154 HE1 PHE 19 HE2 PHE 19 0.482 -10.859 -5.359 155 HE2 PHE 19 HE1 PHE 19 3.007 -8.070 -3.354 156 HZ PHE 19 HZ PHE 19 2.607 -9.620 -5.223 157 H VAL 20 H VAL 20 -0.721 -8.030 1.367 158 HA VAL 20 HA VAL 20 2.108 -8.164 1.559 159 HB VAL 20 HB VAL 20 0.712 -6.110 2.016 160 HG11 VAL 20 HG11 VAL 20 -0.057 -5.781 4.335 161 HG12 VAL 20 HG12 VAL 20 0.277 -7.483 4.660 162 HG13 VAL 20 HG13 VAL 20 -0.957 -7.035 3.481 163 HG21 VAL 20 HG21 VAL 20 2.741 -6.885 4.104 164 HG22 VAL 20 HG22 VAL 20 2.238 -5.243 3.703 165 HG23 VAL 20 HG23 VAL 20 3.095 -6.220 2.508 166 H ARG 21 H ARG 21 -0.496 -9.595 3.430 167 HA ARG 21 HA ARG 21 1.140 -10.466 5.593 168 HB2 ARG 21 HB2 ARG 21 -1.366 -10.202 5.627 169 HB3 ARG 21 HB3 ARG 21 -1.479 -11.652 4.647 170 HG2 ARG 21 HG2 ARG 21 -0.008 -11.784 7.230 171 HG3 ARG 21 HG3 ARG 21 -1.770 -11.734 7.250 172 HD2 ARG 21 HD2 ARG 21 -1.749 -13.674 5.661 173 HD3 ARG 21 HD3 ARG 21 -0.005 -13.773 5.903 174 HE ARG 21 HE ARG 21 -0.897 -13.876 8.424 175 HH11 ARG 21 HH11 ARG 21 -1.849 -15.642 5.549 176 HH12 ARG 21 HH12 ARG 21 -2.436 -17.022 6.429 177 HH21 ARG 21 HH21 ARG 21 -1.679 -15.679 9.590 178 HH22 ARG 21 HH22 ARG 21 -2.344 -17.037 8.734 179 H LYS 22 H LYS 22 0.760 -11.506 2.383 180 HA LYS 22 HA LYS 22 1.369 -14.280 2.870 181 HB2 LYS 22 HB2 LYS 22 0.692 -12.604 0.497 182 HB3 LYS 22 HB3 LYS 22 1.468 -14.154 0.250 183 HG2 LYS 22 HG2 LYS 22 -0.344 -15.276 1.412 184 HG3 LYS 22 HG3 LYS 22 -1.107 -13.720 1.743 185 HD2 LYS 22 HD2 LYS 22 -1.306 -13.345 -0.699 186 HD3 LYS 22 HD3 LYS 22 -0.649 -14.963 -0.970 187 HE2 LYS 22 HE2 LYS 22 -2.527 -15.904 0.317 188 HE3 LYS 22 HE3 LYS 22 -3.193 -14.283 0.505 189 HZ1 LYS 22 HZ1 LYS 22 -3.294 -14.161 -1.965 190 HZ2 LYS 22 HZ2 LYS 22 -4.310 -15.344 -1.288 191 HZ3 LYS 22 HZ3 LYS 22 -2.855 -15.797 -2.024 192 H TYR 23 H TYR 23 2.894 -11.702 0.906 193 HA TYR 23 HA TYR 23 5.401 -13.221 0.997 194 HB2 TYR 23 HB2 TYR 23 4.743 -10.743 -0.604 195 HB3 TYR 23 HB3 TYR 23 6.172 -11.750 -0.776 196 HD1 TYR 23 HD1 TYR 23 5.753 -14.224 -1.474 197 HD2 TYR 23 HD2 TYR 23 2.906 -11.103 -1.945 198 HE1 TYR 23 HE1 TYR 23 4.620 -15.531 -3.227 199 HE2 TYR 23 HE2 TYR 23 1.757 -12.400 -3.684 200 HH TYR 23 HH TYR 23 2.448 -14.227 -5.359 201 H ARG 24 H ARG 24 3.881 -10.600 2.473 202 HA ARG 24 HA ARG 24 4.474 -8.750 3.586 203 HB2 ARG 24 HB2 ARG 24 6.533 -10.688 4.287 204 HB3 ARG 24 HB3 ARG 24 7.090 -9.023 4.427 205 HG2 ARG 24 HG2 ARG 24 6.210 -9.532 6.528 206 HG3 ARG 24 HG3 ARG 24 4.951 -8.591 5.732 207 HD2 ARG 24 HD2 ARG 24 3.784 -10.337 6.708 208 HD3 ARG 24 HD3 ARG 24 3.979 -10.858 5.036 209 HE ARG 24 HE ARG 24 5.284 -12.595 5.755 210 HH11 ARG 24 HH11 ARG 24 4.963 -10.267 8.359 211 HH12 ARG 24 HH12 ARG 24 5.751 -11.273 9.531 212 HH21 ARG 24 HH21 ARG 24 6.297 -13.927 7.291 213 HH22 ARG 24 HH22 ARG 24 6.537 -13.354 8.922 214 H ARG 25 H ARG 25 4.416 -7.228 2.150 215 HA ARG 25 HA ARG 25 4.952 -5.705 0.603 216 HB2 ARG 25 HB2 ARG 25 6.683 -4.990 2.023 217 HB3 ARG 25 HB3 ARG 25 7.689 -6.373 1.628 218 HG2 ARG 25 HG2 ARG 25 7.958 -5.502 -0.643 219 HG3 ARG 25 HG3 ARG 25 6.992 -4.089 -0.194 220 HD2 ARG 25 HD2 ARG 25 8.578 -3.407 1.396 221 HD3 ARG 25 HD3 ARG 25 9.455 -4.930 1.277 222 HE ARG 25 HE ARG 25 9.388 -3.629 -1.241 223 HH11 ARG 25 HH11 ARG 25 10.872 -3.353 1.905 224 HH12 ARG 25 HH12 ARG 25 12.377 -2.737 1.294 225 HH21 ARG 25 HH21 ARG 25 11.342 -2.813 -2.073 226 HH22 ARG 25 HH22 ARG 25 12.639 -2.426 -0.981 227 H PHE 26 H PHE 26 5.761 -5.382 -1.492 228 HA PHE 26 HA PHE 26 6.616 -7.818 -2.892 229 HB2 PHE 26 HB2 PHE 26 5.474 -6.703 -4.921 230 HB3 PHE 26 HB3 PHE 26 4.439 -7.442 -3.705 231 HD1 PHE 26 HD2 PHE 26 5.722 -4.219 -4.975 232 HD2 PHE 26 HD1 PHE 26 2.869 -6.167 -2.497 233 HE1 PHE 26 HE2 PHE 26 4.495 -2.099 -4.730 234 HE2 PHE 26 HE1 PHE 26 1.638 -4.054 -2.242 235 HZ PHE 26 HZ PHE 26 2.454 -2.017 -3.361 236 HA PRO 27 HA PRO 27 10.109 -5.355 -4.052 237 HB2 PRO 27 HB2 PRO 27 10.564 -7.087 -6.336 238 HB3 PRO 27 HB3 PRO 27 11.482 -6.976 -4.834 239 HG2 PRO 27 HG2 PRO 27 9.961 -9.136 -5.512 240 HG3 PRO 27 HG3 PRO 27 10.299 -8.663 -3.837 241 HD2 PRO 27 HD2 PRO 27 7.842 -8.208 -5.482 242 HD3 PRO 27 HD3 PRO 27 7.988 -8.625 -3.761 243 H LYS 28 H LYS 28 8.325 -6.630 -6.834 244 HA LYS 28 HA LYS 28 7.832 -3.980 -7.875 245 HB2 LYS 28 HB2 LYS 28 10.052 -4.451 -8.783 246 HB3 LYS 28 HB3 LYS 28 9.509 -6.011 -9.377 247 HG2 LYS 28 HG2 LYS 28 8.119 -4.977 -11.024 248 HG3 LYS 28 HG3 LYS 28 8.412 -3.377 -10.336 249 HD2 LYS 28 HD2 LYS 28 10.746 -3.494 -10.939 250 HD3 LYS 28 HD3 LYS 28 10.556 -5.156 -11.494 251 HE2 LYS 28 HE2 LYS 28 9.066 -2.834 -12.694 252 HE3 LYS 28 HE3 LYS 28 10.626 -3.395 -13.294 253 HZ1 LYS 28 HZ1 LYS 28 9.630 -5.579 -13.676 254 HZ2 LYS 28 HZ2 LYS 28 8.842 -4.368 -14.564 255 HZ3 LYS 28 HZ3 LYS 28 8.124 -4.994 -13.160 256 H SER 29 H SER 29 5.658 -4.253 -7.952 257 HA SER 29 HA SER 29 4.669 -6.879 -8.820 258 HB2 SER 29 HB2 SER 29 4.074 -6.218 -6.514 259 HB3 SER 29 HB3 SER 29 3.253 -4.791 -7.143 260 HG SER 29 HG SER 29 2.097 -6.983 -6.708 261 H THR 30 H THR 30 3.406 -7.107 -10.500 262 HA THR 30 HA THR 30 1.940 -4.783 -11.547 263 HB THR 30 HB THR 30 2.209 -6.315 -13.767 264 HG1 THR 30 HG1 THR 30 3.877 -7.504 -12.295 265 HG21 THR 30 HG21 THR 30 4.133 -4.182 -12.847 266 HG22 THR 30 HG22 THR 30 2.577 -3.908 -13.628 267 HG23 THR 30 HG23 THR 30 3.882 -4.693 -14.517 268 H GLU 31 H GLU 31 1.325 -7.004 -9.681 269 HA GLU 31 HA GLU 31 -0.423 -8.787 -11.144 270 HB2 GLU 31 HB2 GLU 31 0.951 -9.617 -9.276 271 HB3 GLU 31 HB3 GLU 31 0.103 -8.541 -8.177 272 HG2 GLU 31 HG2 GLU 31 -0.754 -10.772 -7.945 273 HG3 GLU 31 HG3 GLU 31 -1.992 -9.736 -8.652 274 H GLY 32 H GLY 32 -1.918 -7.262 -11.960 275 HA2 GLY 32 HA2 GLY 32 -3.945 -6.201 -11.987 276 HA3 GLY 32 HA3 GLY 32 -4.354 -7.311 -10.694 277 H ASN 33 H ASN 33 -4.770 -6.542 -8.762 278 HA ASN 33 HA ASN 33 -5.295 -3.793 -8.439 279 HB2 ASN 33 HB2 ASN 33 -5.148 -5.963 -6.330 280 HB3 ASN 33 HB3 ASN 33 -5.900 -4.385 -6.125 281 HD21 ASN 33 HD21 ASN 33 -7.005 -7.133 -5.973 282 HD22 ASN 33 HD22 ASN 33 -8.339 -7.139 -7.075 283 H LEU 34 H LEU 34 -2.755 -5.880 -7.144 284 HA LEU 34 HA LEU 34 -1.572 -3.790 -5.575 285 HB2 LEU 34 HB2 LEU 34 -0.611 -6.539 -6.346 286 HB3 LEU 34 HB3 LEU 34 0.334 -5.443 -5.364 287 HG LEU 34 HG LEU 34 -0.693 -6.916 -3.846 288 HD11 LEU 34 HD11 LEU 34 -2.244 -5.498 -2.566 289 HD12 LEU 34 HD12 LEU 34 -2.351 -4.402 -3.946 290 HD13 LEU 34 HD13 LEU 34 -0.813 -4.621 -3.110 291 HD21 LEU 34 HD21 LEU 34 -3.119 -7.373 -3.826 292 HD22 LEU 34 HD22 LEU 34 -2.325 -7.940 -5.296 293 HD23 LEU 34 HD23 LEU 34 -3.280 -6.457 -5.327 294 H GLY 35 H GLY 35 -1.259 -4.982 -8.792 295 HA2 GLY 35 HA2 GLY 35 1.243 -3.899 -9.490 296 HA3 GLY 35 HA3 GLY 35 -0.084 -4.203 -10.606 297 H GLY 36 H GLY 36 -1.980 -2.458 -9.369 298 HA2 GLY 36 HA2 GLY 36 -1.138 0.043 -10.487 299 HA3 GLY 36 HA3 GLY 36 -2.653 -0.263 -9.649 300 H TRP 37 H TRP 37 -1.528 -1.232 -7.221 301 HA TRP 37 HA TRP 37 -1.063 1.105 -5.769 302 HB2 TRP 37 HB2 TRP 37 -0.900 -1.788 -5.251 303 HB3 TRP 37 HB3 TRP 37 0.114 -0.791 -4.212 304 HD1 TRP 37 HD1 TRP 37 -3.589 -0.905 -5.357 305 HE1 TRP 37 HE1 TRP 37 -5.032 -0.076 -3.408 306 HE3 TRP 37 HE3 TRP 37 0.112 0.246 -2.010 307 HZ2 TRP 37 HZ2 TRP 37 -4.665 0.897 -0.785 308 HZ3 TRP 37 HZ3 TRP 37 -0.527 1.112 0.196 309 HH2 TRP 37 HH2 TRP 37 -2.868 1.433 0.794 310 H CYS 38 H CYS 38 1.203 -1.363 -6.915 311 HA CYS 38 HA CYS 38 3.566 -0.212 -5.947 312 HB2 CYS 38 HB2 CYS 38 3.404 -2.535 -6.705 313 HB3 CYS 38 HB3 CYS 38 3.127 -1.992 -8.354 314 HG CYS 38 HG CYS 38 5.603 -1.475 -9.010 315 H HIS 39 H HIS 39 1.844 0.234 -8.998 316 HA HIS 39 HA HIS 39 3.894 1.737 -10.256 317 HB2 HIS 39 HB2 HIS 39 1.059 1.097 -10.846 318 HB3 HIS 39 HB3 HIS 39 1.745 2.506 -11.648 319 HD1 HIS 39 HD1 HIS 39 1.377 -1.028 -12.065 320 HD2 HIS 39 HD2 HIS 39 4.294 1.770 -13.022 321 HE1 HIS 39 HE1 HIS 39 2.779 -2.102 -13.859 322 HE2 HIS 39 HE2 HIS 39 4.424 -0.316 -14.543 323 H THR 40 H THR 40 0.954 2.681 -8.517 324 HA THR 40 HA THR 40 1.334 5.451 -9.201 325 HB THR 40 HB THR 40 -0.658 4.186 -7.311 326 HG1 THR 40 HG1 THR 40 -0.736 4.786 -10.096 327 HG21 THR 40 HG21 THR 40 -1.966 6.231 -7.692 328 HG22 THR 40 HG22 THR 40 -0.647 6.890 -8.658 329 HG23 THR 40 HG23 THR 40 -0.412 6.589 -6.937 330 H GLN 41 H GLN 41 1.368 3.628 -6.102 331 HA GLN 41 HA GLN 41 1.825 6.102 -4.717 332 HB2 GLN 41 HB2 GLN 41 1.256 3.315 -3.870 333 HB3 GLN 41 HB3 GLN 41 1.870 4.481 -2.698 334 HG2 GLN 41 HG2 GLN 41 0.042 5.929 -3.026 335 HG3 GLN 41 HG3 GLN 41 -0.487 5.051 -4.459 336 HE21 GLN 41 HE21 GLN 41 -1.611 3.188 -4.254 337 HE22 GLN 41 HE22 GLN 41 -2.274 2.665 -2.753 338 H ARG 42 H ARG 42 3.885 3.602 -5.899 339 HA ARG 42 HA ARG 42 6.031 3.947 -4.087 340 HB2 ARG 42 HB2 ARG 42 5.893 2.044 -5.651 341 HB3 ARG 42 HB3 ARG 42 6.124 3.139 -7.004 342 HG2 ARG 42 HG2 ARG 42 8.200 3.168 -4.898 343 HG3 ARG 42 HG3 ARG 42 8.105 1.729 -5.913 344 HD2 ARG 42 HD2 ARG 42 8.261 4.534 -7.005 345 HD3 ARG 42 HD3 ARG 42 9.675 3.521 -6.712 346 HE ARG 42 HE ARG 42 8.651 1.915 -8.325 347 HH11 ARG 42 HH11 ARG 42 7.847 5.321 -8.444 348 HH12 ARG 42 HH12 ARG 42 7.403 5.296 -10.123 349 HH21 ARG 42 HH21 ARG 42 8.118 1.880 -10.547 350 HH22 ARG 42 HH22 ARG 42 7.622 3.345 -11.340 351 H LYS 43 H LYS 43 4.945 5.714 -6.891 352 HA LYS 43 HA LYS 43 7.255 7.377 -7.135 353 HB2 LYS 43 HB2 LYS 43 5.818 6.912 -9.024 354 HB3 LYS 43 HB3 LYS 43 4.427 7.560 -8.172 355 HG2 LYS 43 HG2 LYS 43 5.884 9.734 -8.110 356 HG3 LYS 43 HG3 LYS 43 6.667 8.972 -9.501 357 HD2 LYS 43 HD2 LYS 43 3.724 9.544 -9.183 358 HD3 LYS 43 HD3 LYS 43 4.851 10.385 -10.233 359 HE2 LYS 43 HE2 LYS 43 4.314 7.446 -10.451 360 HE3 LYS 43 HE3 LYS 43 3.379 8.650 -11.327 361 HZ1 LYS 43 HZ1 LYS 43 5.444 9.406 -12.381 362 HZ2 LYS 43 HZ2 LYS 43 5.144 7.768 -12.702 363 HZ3 LYS 43 HZ3 LYS 43 6.311 8.203 -11.553 364 H MET 44 H MET 44 3.994 7.719 -5.801 365 HA MET 44 HA MET 44 4.125 10.411 -5.055 366 HB2 MET 44 HB2 MET 44 2.571 8.316 -3.539 367 HB3 MET 44 HB3 MET 44 2.176 10.016 -3.752 368 HG2 MET 44 HG2 MET 44 2.042 7.818 -5.785 369 HG3 MET 44 HG3 MET 44 0.723 8.794 -5.138 370 HE1 MET 44 HE1 MET 44 1.739 8.136 -8.257 371 HE2 MET 44 HE2 MET 44 1.244 9.648 -9.020 372 HE3 MET 44 HE3 MET 44 0.176 8.853 -7.860 373 H ARG 45 H ARG 45 5.340 7.547 -3.486 374 HA ARG 45 HA ARG 45 5.777 8.639 -0.912 375 HB2 ARG 45 HB2 ARG 45 5.895 6.200 -1.502 376 HB3 ARG 45 HB3 ARG 45 7.442 6.516 -2.270 377 HG2 ARG 45 HG2 ARG 45 8.281 7.359 -0.077 378 HG3 ARG 45 HG3 ARG 45 6.764 6.820 0.644 379 HD2 ARG 45 HD2 ARG 45 7.268 4.533 -0.246 380 HD3 ARG 45 HD3 ARG 45 8.861 5.131 -0.702 381 HE ARG 45 HE ARG 45 7.872 5.007 2.076 382 HH11 ARG 45 HH11 ARG 45 10.503 4.999 -0.224 383 HH12 ARG 45 HH12 ARG 45 11.678 4.454 0.928 384 HH21 ARG 45 HH21 ARG 45 9.424 4.301 3.608 385 HH22 ARG 45 HH22 ARG 45 11.073 4.053 3.099 386 H LYS 46 H LYS 46 7.901 8.353 -3.737 387 HA LYS 46 HA LYS 46 10.141 9.623 -2.567 388 HB2 LYS 46 HB2 LYS 46 10.028 8.137 -4.657 389 HB3 LYS 46 HB3 LYS 46 9.476 9.565 -5.514 390 HG2 LYS 46 HG2 LYS 46 12.073 9.507 -4.006 391 HG3 LYS 46 HG3 LYS 46 11.937 8.971 -5.678 392 HD2 LYS 46 HD2 LYS 46 11.217 11.717 -4.655 393 HD3 LYS 46 HD3 LYS 46 12.704 11.299 -5.504 394 HE2 LYS 46 HE2 LYS 46 9.924 11.008 -6.633 395 HE3 LYS 46 HE3 LYS 46 11.011 12.354 -6.964 396 HZ1 LYS 46 HZ1 LYS 46 12.576 10.801 -7.954 397 HZ2 LYS 46 HZ2 LYS 46 11.072 10.720 -8.729 398 HZ3 LYS 46 HZ3 LYS 46 11.528 9.506 -7.638 399 H GLN 47 H GLN 47 7.336 10.754 -4.307 400 HA GLN 47 HA GLN 47 8.308 13.465 -4.518 401 HB2 GLN 47 HB2 GLN 47 5.677 12.166 -5.208 402 HB3 GLN 47 HB3 GLN 47 5.997 13.877 -5.449 403 HG2 GLN 47 HG2 GLN 47 7.873 13.291 -6.932 404 HG3 GLN 47 HG3 GLN 47 7.482 11.585 -6.716 405 HE21 GLN 47 HE21 GLN 47 4.613 12.091 -6.705 406 HE22 GLN 47 HE22 GLN 47 4.167 12.416 -8.345 407 H GLY 48 H GLY 48 7.175 11.752 -1.981 408 HA2 GLY 48 HA2 GLY 48 6.421 12.335 0.104 409 HA3 GLY 48 HA3 GLY 48 6.935 13.969 -0.292 410 H LYS 49 H LYS 49 4.445 12.175 -2.018 411 HA LYS 49 HA LYS 49 2.471 14.066 -0.914 412 HB2 LYS 49 HB2 LYS 49 1.255 13.756 -3.105 413 HB3 LYS 49 HB3 LYS 49 2.744 14.684 -3.171 414 HG2 LYS 49 HG2 LYS 49 3.930 12.804 -4.098 415 HG3 LYS 49 HG3 LYS 49 2.510 11.773 -3.902 416 HD2 LYS 49 HD2 LYS 49 2.567 14.256 -5.608 417 HD3 LYS 49 HD3 LYS 49 2.864 12.629 -6.224 418 HE2 LYS 49 HE2 LYS 49 0.657 11.928 -5.533 419 HE3 LYS 49 HE3 LYS 49 0.359 13.498 -4.793 420 HZ1 LYS 49 HZ1 LYS 49 -0.672 13.224 -7.010 421 HZ2 LYS 49 HZ2 LYS 49 0.875 13.090 -7.693 422 HZ3 LYS 49 HZ3 LYS 49 0.401 14.532 -6.936 423 H LEU 50 H LEU 50 3.414 10.980 -0.862 424 HA LEU 50 HA LEU 50 1.046 9.468 -0.947 425 HB2 LEU 50 HB2 LEU 50 3.745 9.167 0.095 426 HB3 LEU 50 HB3 LEU 50 2.566 8.432 1.159 427 HG LEU 50 HG LEU 50 3.104 7.749 -1.729 428 HD11 LEU 50 HD11 LEU 50 4.698 6.840 -0.129 429 HD12 LEU 50 HD12 LEU 50 3.678 5.560 -0.782 430 HD13 LEU 50 HD13 LEU 50 3.376 6.184 0.839 431 HD21 LEU 50 HD21 LEU 50 1.395 6.031 -1.499 432 HD22 LEU 50 HD22 LEU 50 0.702 7.641 -1.304 433 HD23 LEU 50 HD23 LEU 50 0.997 6.629 0.111 434 HA PRO 51 HA PRO 51 -1.051 10.865 2.809 435 HB2 PRO 51 HB2 PRO 51 -2.195 8.143 2.786 436 HB3 PRO 51 HB3 PRO 51 -3.018 9.706 2.773 437 HG2 PRO 51 HG2 PRO 51 -2.939 8.142 0.596 438 HG3 PRO 51 HG3 PRO 51 -2.877 9.911 0.477 439 HD2 PRO 51 HD2 PRO 51 -0.664 7.912 0.245 440 HD3 PRO 51 HD3 PRO 51 -0.938 9.407 -0.668 441 H ASN 52 H ASN 52 0.051 10.881 4.638 442 HA ASN 52 HA ASN 52 1.939 9.029 5.493 443 HB2 ASN 52 HB2 ASN 52 1.653 11.390 6.310 444 HB3 ASN 52 HB3 ASN 52 0.287 10.835 7.271 445 HD21 ASN 52 HD21 ASN 52 3.720 10.812 6.886 446 HD22 ASN 52 HD22 ASN 52 4.097 10.161 8.439 447 H ASP 53 H ASP 53 -1.510 9.195 6.017 448 HA ASP 53 HA ASP 53 -1.829 7.290 8.036 449 HB2 ASP 53 HB2 ASP 53 -3.664 7.854 5.696 450 HB3 ASP 53 HB3 ASP 53 -4.116 6.992 7.160 451 H ARG 54 H ARG 54 -1.547 6.916 4.535 452 HA ARG 54 HA ARG 54 -2.076 4.154 4.403 453 HB2 ARG 54 HB2 ARG 54 -0.447 5.956 2.611 454 HB3 ARG 54 HB3 ARG 54 -0.782 4.269 2.240 455 HG2 ARG 54 HG2 ARG 54 -2.843 6.425 2.632 456 HG3 ARG 54 HG3 ARG 54 -2.325 5.745 1.086 457 HD2 ARG 54 HD2 ARG 54 -3.206 3.620 1.624 458 HD3 ARG 54 HD3 ARG 54 -3.465 4.073 3.307 459 HE ARG 54 HE ARG 54 -4.942 5.483 1.186 460 HH11 ARG 54 HH11 ARG 54 -4.907 3.353 3.960 461 HH12 ARG 54 HH12 ARG 54 -6.624 3.435 4.222 462 HH21 ARG 54 HH21 ARG 54 -7.212 5.620 1.537 463 HH22 ARG 54 HH22 ARG 54 -7.922 4.744 2.855 464 H ARG 55 H ARG 55 0.977 5.921 4.562 465 HA ARG 55 HA ARG 55 2.723 3.767 4.552 466 HB2 ARG 55 HB2 ARG 55 3.325 6.203 4.406 467 HB3 ARG 55 HB3 ARG 55 3.084 6.317 6.140 468 HG2 ARG 55 HG2 ARG 55 5.014 4.329 5.020 469 HG3 ARG 55 HG3 ARG 55 5.472 6.023 5.185 470 HD2 ARG 55 HD2 ARG 55 5.020 5.949 7.556 471 HD3 ARG 55 HD3 ARG 55 4.436 4.292 7.420 472 HE ARG 55 HE ARG 55 7.018 4.276 6.431 473 HH11 ARG 55 HH11 ARG 55 5.492 5.115 9.480 474 HH12 ARG 55 HH12 ARG 55 6.852 4.606 10.437 475 HH21 ARG 55 HH21 ARG 55 8.813 3.612 7.717 476 HH22 ARG 55 HH22 ARG 55 8.721 3.784 9.446 477 H LEU 56 H LEU 56 0.905 5.169 7.231 478 HA LEU 56 HA LEU 56 2.102 3.612 9.284 479 HB2 LEU 56 HB2 LEU 56 0.751 5.752 9.529 480 HB3 LEU 56 HB3 LEU 56 -0.684 4.776 9.300 481 HG LEU 56 HG LEU 56 1.284 4.236 11.522 482 HD11 LEU 56 HD11 LEU 56 0.507 6.539 11.723 483 HD12 LEU 56 HD12 LEU 56 -0.168 5.518 12.994 484 HD13 LEU 56 HD13 LEU 56 -1.167 5.990 11.618 485 HD21 LEU 56 HD21 LEU 56 -1.636 3.536 11.184 486 HD22 LEU 56 HD22 LEU 56 -0.627 3.134 12.572 487 HD23 LEU 56 HD23 LEU 56 -0.280 2.425 10.997 488 H LEU 57 H LEU 57 -0.998 3.272 7.545 489 HA LEU 57 HA LEU 57 -1.795 0.883 8.778 490 HB2 LEU 57 HB2 LEU 57 -2.570 2.330 6.304 491 HB3 LEU 57 HB3 LEU 57 -3.056 0.653 6.436 492 HG LEU 57 HG LEU 57 -4.229 1.170 8.551 493 HD11 LEU 57 HD11 LEU 57 -4.597 3.483 9.212 494 HD12 LEU 57 HD12 LEU 57 -3.514 4.031 7.931 495 HD13 LEU 57 HD13 LEU 57 -2.882 3.073 9.270 496 HD21 LEU 57 HD21 LEU 57 -5.024 2.891 6.208 497 HD22 LEU 57 HD22 LEU 57 -6.075 2.419 7.545 498 HD23 LEU 57 HD23 LEU 57 -5.442 1.195 6.444 499 H LEU 58 H LEU 58 0.120 1.442 5.860 500 HA LEU 58 HA LEU 58 0.281 -1.226 4.993 501 HB2 LEU 58 HB2 LEU 58 1.831 1.258 4.525 502 HB3 LEU 58 HB3 LEU 58 2.645 -0.249 4.155 503 HG LEU 58 HG LEU 58 1.565 0.765 2.187 504 HD11 LEU 58 HD11 LEU 58 1.913 -1.607 2.185 505 HD12 LEU 58 HD12 LEU 58 0.346 -1.256 1.448 506 HD13 LEU 58 HD13 LEU 58 0.425 -1.867 3.101 507 HD21 LEU 58 HD21 LEU 58 -0.871 0.750 1.985 508 HD22 LEU 58 HD22 LEU 58 -0.338 1.819 3.283 509 HD23 LEU 58 HD23 LEU 58 -1.007 0.232 3.668 510 H ASP 59 H ASP 59 2.243 0.612 7.282 511 HA ASP 59 HA ASP 59 4.178 -1.412 7.711 512 HB2 ASP 59 HB2 ASP 59 4.637 0.880 8.358 513 HB3 ASP 59 HB3 ASP 59 3.287 0.868 9.489 514 H LYS 60 H LYS 60 1.047 -0.719 9.132 515 HA LYS 60 HA LYS 60 1.250 -2.431 11.349 516 HB2 LYS 60 HB2 LYS 60 -0.425 -0.747 11.380 517 HB3 LYS 60 HB3 LYS 60 -1.088 -1.272 9.841 518 HG2 LYS 60 HG2 LYS 60 -1.148 -3.204 12.092 519 HG3 LYS 60 HG3 LYS 60 -2.252 -1.828 12.148 520 HD2 LYS 60 HD2 LYS 60 -2.007 -3.589 9.723 521 HD3 LYS 60 HD3 LYS 60 -3.105 -3.962 11.046 522 HE2 LYS 60 HE2 LYS 60 -3.124 -1.328 9.596 523 HE3 LYS 60 HE3 LYS 60 -4.102 -2.707 9.094 524 HZ1 LYS 60 HZ1 LYS 60 -4.220 -1.438 11.780 525 HZ2 LYS 60 HZ2 LYS 60 -5.214 -2.685 11.207 526 HZ3 LYS 60 HZ3 LYS 60 -5.317 -1.139 10.520 527 H ILE 61 H ILE 61 0.057 -2.969 8.049 528 HA ILE 61 HA ILE 61 -0.790 -5.649 8.648 529 HB ILE 61 HB ILE 61 -1.027 -5.834 6.113 530 HG12 ILE 61 HG12 ILE 61 -0.465 -2.875 6.351 531 HG13 ILE 61 HG13 ILE 61 0.500 -4.054 5.472 532 HG21 ILE 61 HG21 ILE 61 -2.904 -5.450 7.610 533 HG22 ILE 61 HG22 ILE 61 -3.100 -4.538 6.112 534 HG23 ILE 61 HG23 ILE 61 -2.585 -3.714 7.586 535 HD11 ILE 61 HD11 ILE 61 -0.859 -2.729 3.966 536 HD12 ILE 61 HD12 ILE 61 -2.318 -3.243 4.812 537 HD13 ILE 61 HD13 ILE 61 -1.346 -4.422 3.928 538 H GLY 62 H GLY 62 2.187 -4.211 7.722 539 HA2 GLY 62 HA2 GLY 62 4.074 -5.670 8.359 540 HA3 GLY 62 HA3 GLY 62 3.266 -6.949 7.472 541 H PHE 63 H PHE 63 3.429 -3.691 6.193 542 HA PHE 63 HA PHE 63 5.047 -4.659 3.992 543 HB2 PHE 63 HB2 PHE 63 3.083 -3.036 3.756 544 HB3 PHE 63 HB3 PHE 63 4.134 -1.815 4.466 545 HD1 PHE 63 HD2 PHE 63 6.137 -1.044 3.240 546 HD2 PHE 63 HD1 PHE 63 3.329 -3.727 1.507 547 HE1 PHE 63 HE2 PHE 63 7.034 -0.533 1.009 548 HE2 PHE 63 HE1 PHE 63 4.219 -3.221 -0.731 549 HZ PHE 63 HZ PHE 63 6.074 -1.621 -0.982 550 H VAL 64 H VAL 64 7.113 -4.891 4.355 551 HA VAL 64 HA VAL 64 8.512 -3.408 6.343 552 HB VAL 64 HB VAL 64 8.972 -5.774 5.824 553 HG11 VAL 64 HG11 VAL 64 10.354 -6.354 3.880 554 HG12 VAL 64 HG12 VAL 64 10.152 -4.714 3.268 555 HG13 VAL 64 HG13 VAL 64 8.752 -5.773 3.428 556 HG21 VAL 64 HG21 VAL 64 11.331 -3.938 5.463 557 HG22 VAL 64 HG22 VAL 64 11.413 -5.638 5.929 558 HG23 VAL 64 HG23 VAL 64 10.639 -4.467 6.998 559 H TRP 65 H TRP 65 9.931 -1.709 6.107 560 HA TRP 65 HA TRP 65 9.728 -0.357 3.501 561 HB2 TRP 65 HB2 TRP 65 10.360 0.782 6.230 562 HB3 TRP 65 HB3 TRP 65 10.174 1.715 4.748 563 HD1 TRP 65 HD1 TRP 65 8.231 0.327 7.606 564 HE1 TRP 65 HE1 TRP 65 5.721 0.769 7.269 565 HE3 TRP 65 HE3 TRP 65 8.325 1.833 2.720 566 HZ2 TRP 65 HZ2 TRP 65 4.004 1.645 5.201 567 HZ3 TRP 65 HZ3 TRP 65 6.204 2.457 1.638 568 HH2 TRP 65 HH2 TRP 65 4.088 2.363 2.856 569 H SER 66 H SER 66 11.822 -2.333 4.818 570 HA SER 66 HA SER 66 14.284 -1.055 4.970 571 HB2 SER 66 HB2 SER 66 13.710 -3.871 4.030 572 HB3 SER 66 HB3 SER 66 15.262 -3.272 4.612 573 HG SER 66 HG SER 66 14.024 -2.703 6.596 574 H LEU 67 H LEU 67 15.121 0.217 3.478 575 HA LEU 67 HA LEU 67 15.462 -0.859 0.762 576 HB2 LEU 67 HB2 LEU 67 14.566 1.917 1.529 577 HB3 LEU 67 HB3 LEU 67 15.316 1.576 -0.016 578 HG LEU 67 HG LEU 67 12.775 0.275 0.953 579 HD11 LEU 67 HD11 LEU 67 12.442 2.657 0.617 580 HD12 LEU 67 HD12 LEU 67 11.661 1.741 -0.672 581 HD13 LEU 67 HD13 LEU 67 13.195 2.556 -0.974 582 HD21 LEU 67 HD21 LEU 67 14.011 -1.084 -0.633 583 HD22 LEU 67 HD22 LEU 67 14.158 0.291 -1.729 584 HD23 LEU 67 HD23 LEU 67 12.573 -0.410 -1.398 585 H GLU 68 H GLU 68 17.206 0.490 -0.400 586 HA GLU 68 HA GLU 68 19.309 1.338 -0.546 587 HB2 GLU 68 HB2 GLU 68 18.857 2.348 2.265 588 HB3 GLU 68 HB3 GLU 68 20.068 2.923 1.130 589 HG2 GLU 68 HG2 GLU 68 18.337 3.780 -0.330 590 HG3 GLU 68 HG3 GLU 68 17.092 3.141 0.742 591 H HIS 69 H HIS 69 18.721 -1.321 0.677 592 HA HIS 69 HA HIS 69 20.557 -1.947 2.696 593 HB2 HIS 69 HB2 HIS 69 18.684 -3.423 1.864 594 HB3 HIS 69 HB3 HIS 69 19.677 -3.789 0.461 595 HD1 HIS 69 HD1 HIS 69 19.034 -4.830 3.904 596 HD2 HIS 69 HD2 HIS 69 22.126 -5.222 1.142 597 HE1 HIS 69 HE1 HIS 69 20.484 -6.701 4.761 598 HE2 HIS 69 HE2 HIS 69 22.419 -6.826 3.151 599 H HIS 70 H HIS 70 22.651 -1.729 2.666 600 HA HIS 70 HA HIS 70 24.119 -0.819 0.511 601 HB2 HIS 70 HB2 HIS 70 24.784 -0.562 2.866 602 HB3 HIS 70 HB3 HIS 70 25.144 -2.281 2.954 603 HD1 HIS 70 HD1 HIS 70 27.442 -3.003 2.286 604 HD2 HIS 70 HD2 HIS 70 26.591 0.905 1.121 605 HE1 HIS 70 HE1 HIS 70 29.610 -2.060 1.420 606 HE2 HIS 70 HE2 HIS 70 29.100 0.329 0.799 607 H HIS 71 H HIS 71 24.183 -1.920 -1.340 608 HA HIS 71 HA HIS 71 25.308 -4.628 -1.292 609 HB2 HIS 71 HB2 HIS 71 24.028 -3.055 -3.542 610 HB3 HIS 71 HB3 HIS 71 24.780 -4.629 -3.750 611 HD1 HIS 71 HD1 HIS 71 21.593 -3.374 -3.710 612 HD2 HIS 71 HD2 HIS 71 23.416 -6.401 -1.509 613 HE1 HIS 71 HE1 HIS 71 19.723 -4.860 -2.909 614 HE2 HIS 71 HE2 HIS 71 20.869 -6.782 -1.742 615 H HIS 72 H HIS 72 25.607 -2.182 -3.787 616 HA HIS 72 HA HIS 72 28.331 -1.523 -3.070 617 HB2 HIS 72 HB2 HIS 72 27.622 -3.044 -5.574 618 HB3 HIS 72 HB3 HIS 72 29.006 -1.962 -5.542 619 HD1 HIS 72 HD1 HIS 72 30.889 -2.590 -3.717 620 HD2 HIS 72 HD2 HIS 72 28.105 -5.544 -4.609 621 HE1 HIS 72 HE1 HIS 72 31.903 -4.740 -2.910 622 HE2 HIS 72 HE2 HIS 72 30.298 -6.534 -3.654 623 H HIS 73 H HIS 73 29.166 0.084 -4.827 624 HA HIS 73 HA HIS 73 26.906 1.692 -5.826 625 HB2 HIS 73 HB2 HIS 73 29.554 2.746 -4.789 626 HB3 HIS 73 HB3 HIS 73 28.245 3.718 -5.448 627 HD1 HIS 73 HD1 HIS 73 26.110 4.020 -3.939 628 HD2 HIS 73 HD2 HIS 73 29.266 1.993 -2.139 629 HE1 HIS 73 HE1 HIS 73 25.585 3.987 -1.482 630 HE2 HIS 73 HE2 HIS 73 27.614 2.964 -0.399 631 H HIS 74 H HIS 74 27.487 2.993 -7.762 632 HA HIS 74 HA HIS 74 29.606 1.631 -9.275 633 HB2 HIS 74 HB2 HIS 74 28.310 2.202 -11.349 634 HB3 HIS 74 HB3 HIS 74 27.547 1.022 -10.299 635 HD1 HIS 74 HD1 HIS 74 25.332 1.701 -9.157 636 HD2 HIS 74 HD2 HIS 74 26.916 4.604 -11.683 637 HE1 HIS 74 HE1 HIS 74 23.480 3.365 -9.534 638 HE2 HIS 74 HE2 HIS 74 24.398 4.979 -11.241 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -14.495 -4.158 -19.737 2 H2 MET 1 H2 MET 1 -14.136 -4.207 -21.396 3 H3 MET 1 H3 MET 1 -12.981 -3.639 -20.294 4 HA MET 1 HA MET 1 -14.051 -6.391 -20.390 5 HB2 MET 1 HB2 MET 1 -11.814 -7.027 -21.225 6 HB3 MET 1 HB3 MET 1 -12.685 -5.990 -22.338 7 HG2 MET 1 HG2 MET 1 -10.562 -5.126 -22.421 8 HG3 MET 1 HG3 MET 1 -11.335 -4.078 -21.234 9 HE1 MET 1 HE1 MET 1 -9.048 -3.218 -20.258 10 HE2 MET 1 HE2 MET 1 -8.232 -4.148 -21.513 11 HE3 MET 1 HE3 MET 1 -7.707 -4.282 -19.833 12 H ASN 2 H ASN 2 -12.173 -3.972 -18.720 13 HA ASN 2 HA ASN 2 -11.789 -5.900 -16.538 14 HB2 ASN 2 HB2 ASN 2 -9.640 -5.328 -17.497 15 HB3 ASN 2 HB3 ASN 2 -10.024 -3.612 -17.430 16 HD21 ASN 2 HD21 ASN 2 -8.401 -2.992 -16.166 17 HD22 ASN 2 HD22 ASN 2 -8.227 -3.479 -14.524 18 H GLN 3 H GLN 3 -12.965 -5.372 -14.797 19 HA GLN 3 HA GLN 3 -14.420 -2.915 -14.685 20 HB2 GLN 3 HB2 GLN 3 -14.101 -5.143 -12.671 21 HB3 GLN 3 HB3 GLN 3 -15.169 -3.767 -12.447 22 HG2 GLN 3 HG2 GLN 3 -16.438 -4.427 -14.422 23 HG3 GLN 3 HG3 GLN 3 -15.364 -5.807 -14.649 24 HE21 GLN 3 HE21 GLN 3 -18.247 -5.683 -14.157 25 HE22 GLN 3 HE22 GLN 3 -18.530 -6.623 -12.734 26 H ASN 4 H ASN 4 -14.164 -1.182 -13.317 27 HA ASN 4 HA ASN 4 -11.505 -0.845 -12.169 28 HB2 ASN 4 HB2 ASN 4 -13.814 1.116 -12.250 29 HB3 ASN 4 HB3 ASN 4 -12.153 1.483 -11.809 30 HD21 ASN 4 HD21 ASN 4 -14.370 0.902 -14.377 31 HD22 ASN 4 HD22 ASN 4 -13.317 1.348 -15.674 32 H LEU 5 H LEU 5 -14.799 -1.352 -11.273 33 HA LEU 5 HA LEU 5 -15.865 -1.828 -9.344 34 HB2 LEU 5 HB2 LEU 5 -13.059 -2.053 -8.282 35 HB3 LEU 5 HB3 LEU 5 -14.454 -2.215 -7.237 36 HG LEU 5 HG LEU 5 -13.793 -4.408 -7.759 37 HD11 LEU 5 HD11 LEU 5 -16.063 -3.685 -9.595 38 HD12 LEU 5 HD12 LEU 5 -16.180 -4.097 -7.885 39 HD13 LEU 5 HD13 LEU 5 -15.660 -5.312 -9.052 40 HD21 LEU 5 HD21 LEU 5 -13.463 -5.224 -10.054 41 HD22 LEU 5 HD22 LEU 5 -12.306 -3.972 -9.603 42 HD23 LEU 5 HD23 LEU 5 -13.669 -3.575 -10.650 43 H GLN 6 H GLN 6 -16.710 -0.762 -7.513 44 HA GLN 6 HA GLN 6 -16.067 2.078 -7.503 45 HB2 GLN 6 HB2 GLN 6 -18.267 0.568 -6.079 46 HB3 GLN 6 HB3 GLN 6 -18.098 2.317 -6.142 47 HG2 GLN 6 HG2 GLN 6 -18.361 2.220 -8.594 48 HG3 GLN 6 HG3 GLN 6 -18.629 0.481 -8.466 49 HE21 GLN 6 HE21 GLN 6 -20.698 0.588 -9.296 50 HE22 GLN 6 HE22 GLN 6 -22.020 1.258 -8.406 51 H GLY 7 H GLY 7 -14.279 2.447 -6.345 52 HA2 GLY 7 HA2 GLY 7 -13.566 2.985 -4.063 53 HA3 GLY 7 HA3 GLY 7 -14.228 1.429 -3.574 54 H GLU 8 H GLU 8 -11.656 3.036 -5.318 55 HA GLU 8 HA GLU 8 -10.271 0.761 -6.209 56 HB2 GLU 8 HB2 GLU 8 -9.855 3.092 -6.991 57 HB3 GLU 8 HB3 GLU 8 -9.087 3.438 -5.448 58 HG2 GLU 8 HG2 GLU 8 -7.421 1.678 -5.922 59 HG3 GLU 8 HG3 GLU 8 -8.161 1.445 -7.505 60 H TRP 9 H TRP 9 -9.952 2.655 -3.218 61 HA TRP 9 HA TRP 9 -7.768 1.039 -2.294 62 HB2 TRP 9 HB2 TRP 9 -8.808 3.550 -1.604 63 HB3 TRP 9 HB3 TRP 9 -9.033 2.539 -0.178 64 HD1 TRP 9 HD1 TRP 9 -6.425 4.471 -2.005 65 HE1 TRP 9 HE1 TRP 9 -4.110 4.077 -0.953 66 HE3 TRP 9 HE3 TRP 9 -7.594 0.531 1.033 67 HZ2 TRP 9 HZ2 TRP 9 -2.943 2.322 0.932 68 HZ3 TRP 9 HZ3 TRP 9 -5.820 -0.448 2.431 69 HH2 TRP 9 HH2 TRP 9 -3.544 0.431 2.377 70 H MET 10 H MET 10 -11.243 1.100 -1.846 71 HA MET 10 HA MET 10 -11.395 -0.670 0.336 72 HB2 MET 10 HB2 MET 10 -13.250 0.120 -1.862 73 HB3 MET 10 HB3 MET 10 -13.639 -1.323 -0.940 74 HG2 MET 10 HG2 MET 10 -14.783 0.651 -0.086 75 HG3 MET 10 HG3 MET 10 -13.699 -0.050 1.107 76 HE1 MET 10 HE1 MET 10 -11.092 2.604 1.792 77 HE2 MET 10 HE2 MET 10 -10.971 0.983 1.102 78 HE3 MET 10 HE3 MET 10 -12.065 1.289 2.452 79 H LYS 11 H LYS 11 -11.125 -1.194 -3.127 80 HA LYS 11 HA LYS 11 -11.167 -4.036 -3.054 81 HB2 LYS 11 HB2 LYS 11 -11.539 -2.658 -5.091 82 HB3 LYS 11 HB3 LYS 11 -9.846 -2.189 -5.051 83 HG2 LYS 11 HG2 LYS 11 -9.403 -4.744 -5.129 84 HG3 LYS 11 HG3 LYS 11 -11.061 -4.829 -5.728 85 HD2 LYS 11 HD2 LYS 11 -8.697 -3.432 -6.946 86 HD3 LYS 11 HD3 LYS 11 -9.712 -4.690 -7.652 87 HE2 LYS 11 HE2 LYS 11 -11.603 -3.107 -7.660 88 HE3 LYS 11 HE3 LYS 11 -10.528 -1.856 -7.045 89 HZ1 LYS 11 HZ1 LYS 11 -10.211 -3.272 -9.643 90 HZ2 LYS 11 HZ2 LYS 11 -9.189 -2.057 -9.044 91 HZ3 LYS 11 HZ3 LYS 11 -10.799 -1.693 -9.436 92 H ASN 12 H ASN 12 -8.580 -1.632 -3.203 93 HA ASN 12 HA ASN 12 -6.373 -3.302 -3.296 94 HB2 ASN 12 HB2 ASN 12 -6.788 -0.540 -2.189 95 HB3 ASN 12 HB3 ASN 12 -5.225 -1.333 -2.045 96 HD21 ASN 12 HD21 ASN 12 -6.103 1.052 -3.540 97 HD22 ASN 12 HD22 ASN 12 -5.613 0.770 -5.169 98 H TYR 13 H TYR 13 -8.091 -2.054 -0.480 99 HA TYR 13 HA TYR 13 -6.278 -2.781 1.484 100 HB2 TYR 13 HB2 TYR 13 -8.269 -1.299 1.753 101 HB3 TYR 13 HB3 TYR 13 -9.281 -2.739 1.759 102 HD1 TYR 13 HD2 TYR 13 -6.136 -1.653 3.476 103 HD2 TYR 13 HD1 TYR 13 -10.019 -3.349 3.863 104 HE1 TYR 13 HE2 TYR 13 -5.792 -1.872 5.902 105 HE2 TYR 13 HE1 TYR 13 -9.689 -3.562 6.290 106 HH TYR 13 HH TYR 13 -7.282 -1.983 7.961 107 H GLU 14 H GLU 14 -9.012 -4.689 0.205 108 HA GLU 14 HA GLU 14 -8.650 -6.783 2.088 109 HB2 GLU 14 HB2 GLU 14 -10.265 -8.038 0.778 110 HB3 GLU 14 HB3 GLU 14 -10.809 -6.384 1.002 111 HG2 GLU 14 HG2 GLU 14 -10.055 -5.844 -1.270 112 HG3 GLU 14 HG3 GLU 14 -9.557 -7.522 -1.485 113 H GLU 15 H GLU 15 -7.436 -6.231 -1.174 114 HA GLU 15 HA GLU 15 -6.261 -8.841 -1.401 115 HB2 GLU 15 HB2 GLU 15 -5.658 -6.310 -2.945 116 HB3 GLU 15 HB3 GLU 15 -5.116 -7.925 -3.377 117 HG2 GLU 15 HG2 GLU 15 -7.586 -8.542 -3.487 118 HG3 GLU 15 HG3 GLU 15 -7.895 -6.806 -3.445 119 H LEU 16 H LEU 16 -5.187 -5.636 -0.489 120 HA LEU 16 HA LEU 16 -2.440 -6.019 -0.347 121 HB2 LEU 16 HB2 LEU 16 -3.465 -3.839 -0.217 122 HB3 LEU 16 HB3 LEU 16 -4.268 -4.264 1.283 123 HG LEU 16 HG LEU 16 -1.974 -4.492 2.315 124 HD11 LEU 16 HD11 LEU 16 -0.711 -4.707 0.227 125 HD12 LEU 16 HD12 LEU 16 -0.137 -3.357 1.209 126 HD13 LEU 16 HD13 LEU 16 -1.153 -3.053 -0.202 127 HD21 LEU 16 HD21 LEU 16 -3.432 -2.581 2.691 128 HD22 LEU 16 HD22 LEU 16 -2.789 -1.801 1.245 129 HD23 LEU 16 HD23 LEU 16 -1.738 -2.100 2.631 130 H LYS 17 H LYS 17 -4.815 -6.253 2.308 131 HA LYS 17 HA LYS 17 -3.124 -7.002 4.366 132 HB2 LYS 17 HB2 LYS 17 -5.919 -8.027 3.842 133 HB3 LYS 17 HB3 LYS 17 -5.075 -8.112 5.378 134 HG2 LYS 17 HG2 LYS 17 -5.122 -5.748 5.616 135 HG3 LYS 17 HG3 LYS 17 -5.726 -5.544 3.972 136 HD2 LYS 17 HD2 LYS 17 -7.609 -5.292 5.345 137 HD3 LYS 17 HD3 LYS 17 -7.733 -6.926 4.704 138 HE2 LYS 17 HE2 LYS 17 -6.462 -6.364 7.365 139 HE3 LYS 17 HE3 LYS 17 -8.204 -6.569 7.199 140 HZ1 LYS 17 HZ1 LYS 17 -7.026 -8.616 7.832 141 HZ2 LYS 17 HZ2 LYS 17 -6.189 -8.588 6.360 142 HZ3 LYS 17 HZ3 LYS 17 -7.873 -8.779 6.373 143 H SER 18 H SER 18 -4.918 -9.083 2.190 144 HA SER 18 HA SER 18 -3.977 -11.547 3.073 145 HB2 SER 18 HB2 SER 18 -4.740 -10.881 0.227 146 HB3 SER 18 HB3 SER 18 -4.891 -12.436 1.047 147 HG SER 18 HG SER 18 -6.614 -10.355 0.995 148 H PHE 19 H PHE 19 -2.704 -9.408 0.551 149 HA PHE 19 HA PHE 19 -0.734 -11.217 -0.386 150 HB2 PHE 19 HB2 PHE 19 -1.737 -9.042 -1.471 151 HB3 PHE 19 HB3 PHE 19 -0.418 -8.241 -0.625 152 HD1 PHE 19 HD1 PHE 19 1.913 -8.710 -1.237 153 HD2 PHE 19 HD2 PHE 19 -1.344 -10.425 -3.368 154 HE1 PHE 19 HE1 PHE 19 3.430 -9.286 -3.087 155 HE2 PHE 19 HE2 PHE 19 0.168 -11.007 -5.218 156 HZ PHE 19 HZ PHE 19 2.560 -10.438 -5.081 157 H VAL 20 H VAL 20 -0.483 -8.333 1.695 158 HA VAL 20 HA VAL 20 2.221 -8.585 2.341 159 HB VAL 20 HB VAL 20 -0.043 -7.355 3.921 160 HG11 VAL 20 HG11 VAL 20 2.935 -7.086 4.310 161 HG12 VAL 20 HG12 VAL 20 1.795 -7.840 5.426 162 HG13 VAL 20 HG13 VAL 20 1.711 -6.106 5.116 163 HG21 VAL 20 HG21 VAL 20 0.784 -5.253 3.013 164 HG22 VAL 20 HG22 VAL 20 0.355 -6.363 1.713 165 HG23 VAL 20 HG23 VAL 20 2.048 -6.114 2.138 166 H ARG 21 H ARG 21 -0.605 -10.119 3.731 167 HA ARG 21 HA ARG 21 0.550 -11.074 6.099 168 HB2 ARG 21 HB2 ARG 21 -1.883 -11.030 5.596 169 HB3 ARG 21 HB3 ARG 21 -1.652 -12.347 4.459 170 HG2 ARG 21 HG2 ARG 21 -0.718 -12.772 7.237 171 HG3 ARG 21 HG3 ARG 21 -2.458 -12.728 6.954 172 HD2 ARG 21 HD2 ARG 21 -2.261 -14.496 5.308 173 HD3 ARG 21 HD3 ARG 21 -0.506 -14.502 5.487 174 HE ARG 21 HE ARG 21 -0.927 -15.196 7.845 175 HH11 ARG 21 HH11 ARG 21 -3.305 -15.835 5.354 176 HH12 ARG 21 HH12 ARG 21 -3.989 -17.205 6.182 177 HH21 ARG 21 HH21 ARG 21 -1.830 -16.954 8.944 178 HH22 ARG 21 HH22 ARG 21 -3.169 -17.822 8.247 179 H LYS 22 H LYS 22 0.850 -12.159 2.818 180 HA LYS 22 HA LYS 22 2.206 -14.612 3.720 181 HB2 LYS 22 HB2 LYS 22 0.251 -14.896 2.207 182 HB3 LYS 22 HB3 LYS 22 1.099 -13.970 0.979 183 HG2 LYS 22 HG2 LYS 22 2.859 -15.673 0.920 184 HG3 LYS 22 HG3 LYS 22 1.981 -16.606 2.133 185 HD2 LYS 22 HD2 LYS 22 0.067 -16.772 0.591 186 HD3 LYS 22 HD3 LYS 22 0.987 -15.885 -0.626 187 HE2 LYS 22 HE2 LYS 22 1.101 -18.256 -1.082 188 HE3 LYS 22 HE3 LYS 22 2.690 -17.668 -0.599 189 HZ1 LYS 22 HZ1 LYS 22 2.299 -18.532 1.625 190 HZ2 LYS 22 HZ2 LYS 22 2.156 -19.770 0.475 191 HZ3 LYS 22 HZ3 LYS 22 0.765 -19.091 1.165 192 H TYR 23 H TYR 23 2.467 -12.024 1.271 193 HA TYR 23 HA TYR 23 5.213 -12.813 0.689 194 HB2 TYR 23 HB2 TYR 23 3.457 -10.682 -0.539 195 HB3 TYR 23 HB3 TYR 23 5.068 -11.108 -1.099 196 HD1 TYR 23 HD2 TYR 23 1.575 -12.269 -0.832 197 HD2 TYR 23 HD1 TYR 23 5.434 -13.024 -2.460 198 HE1 TYR 23 HE2 TYR 23 0.603 -13.942 -2.350 199 HE2 TYR 23 HE1 TYR 23 4.473 -14.698 -3.980 200 HH TYR 23 HH TYR 23 1.131 -15.002 -4.506 201 H ARG 24 H ARG 24 3.579 -10.598 2.650 202 HA ARG 24 HA ARG 24 4.262 -9.017 4.107 203 HB2 ARG 24 HB2 ARG 24 6.982 -9.849 3.159 204 HB3 ARG 24 HB3 ARG 24 6.776 -8.485 4.250 205 HG2 ARG 24 HG2 ARG 24 6.013 -11.348 4.732 206 HG3 ARG 24 HG3 ARG 24 7.228 -10.391 5.585 207 HD2 ARG 24 HD2 ARG 24 5.393 -8.869 6.324 208 HD3 ARG 24 HD3 ARG 24 4.241 -9.992 5.611 209 HE ARG 24 HE ARG 24 6.021 -11.249 7.479 210 HH11 ARG 24 HH11 ARG 24 3.051 -9.424 7.132 211 HH12 ARG 24 HH12 ARG 24 2.384 -9.962 8.637 212 HH21 ARG 24 HH21 ARG 24 5.147 -11.979 9.463 213 HH22 ARG 24 HH22 ARG 24 3.579 -11.437 9.965 214 H ARG 25 H ARG 25 4.918 -8.772 0.788 215 HA ARG 25 HA ARG 25 4.054 -6.154 0.533 216 HB2 ARG 25 HB2 ARG 25 6.097 -4.922 0.025 217 HB3 ARG 25 HB3 ARG 25 6.126 -5.504 1.682 218 HG2 ARG 25 HG2 ARG 25 7.637 -7.293 1.055 219 HG3 ARG 25 HG3 ARG 25 7.560 -6.785 -0.635 220 HD2 ARG 25 HD2 ARG 25 8.479 -4.598 0.014 221 HD3 ARG 25 HD3 ARG 25 8.618 -5.162 1.676 222 HE ARG 25 HE ARG 25 10.054 -7.005 0.420 223 HH11 ARG 25 HH11 ARG 25 10.033 -3.514 0.065 224 HH12 ARG 25 HH12 ARG 25 11.705 -3.424 -0.421 225 HH21 ARG 25 HH21 ARG 25 12.250 -6.894 -0.206 226 HH22 ARG 25 HH22 ARG 25 12.958 -5.354 -0.596 227 H PHE 26 H PHE 26 4.739 -5.239 -1.708 228 HA PHE 26 HA PHE 26 5.458 -7.379 -3.549 229 HB2 PHE 26 HB2 PHE 26 3.621 -6.519 -5.120 230 HB3 PHE 26 HB3 PHE 26 3.138 -7.540 -3.775 231 HD1 PHE 26 HD2 PHE 26 2.099 -6.488 -1.759 232 HD2 PHE 26 HD1 PHE 26 2.769 -4.330 -5.366 233 HE1 PHE 26 HE2 PHE 26 0.464 -4.796 -1.049 234 HE2 PHE 26 HE1 PHE 26 1.132 -2.636 -4.660 235 HZ PHE 26 HZ PHE 26 -0.022 -2.868 -2.501 236 HA PRO 27 HA PRO 27 7.728 -3.629 -4.844 237 HB2 PRO 27 HB2 PRO 27 10.084 -4.889 -5.241 238 HB3 PRO 27 HB3 PRO 27 9.594 -4.300 -3.650 239 HG2 PRO 27 HG2 PRO 27 9.486 -7.070 -4.760 240 HG3 PRO 27 HG3 PRO 27 9.955 -6.535 -3.138 241 HD2 PRO 27 HD2 PRO 27 7.500 -7.570 -3.748 242 HD3 PRO 27 HD3 PRO 27 7.786 -6.433 -2.416 243 H LYS 28 H LYS 28 7.003 -6.736 -6.009 244 HA LYS 28 HA LYS 28 7.055 -5.806 -8.764 245 HB2 LYS 28 HB2 LYS 28 9.234 -6.979 -8.305 246 HB3 LYS 28 HB3 LYS 28 8.320 -8.428 -7.923 247 HG2 LYS 28 HG2 LYS 28 7.474 -8.508 -10.207 248 HG3 LYS 28 HG3 LYS 28 8.358 -7.029 -10.590 249 HD2 LYS 28 HD2 LYS 28 9.603 -9.624 -9.684 250 HD3 LYS 28 HD3 LYS 28 9.557 -9.037 -11.346 251 HE2 LYS 28 HE2 LYS 28 10.930 -7.159 -10.796 252 HE3 LYS 28 HE3 LYS 28 10.824 -7.517 -9.074 253 HZ1 LYS 28 HZ1 LYS 28 12.060 -9.550 -9.443 254 HZ2 LYS 28 HZ2 LYS 28 12.940 -8.218 -10.019 255 HZ3 LYS 28 HZ3 LYS 28 12.140 -9.239 -11.110 256 H SER 29 H SER 29 4.776 -5.776 -8.420 257 HA SER 29 HA SER 29 3.496 -8.307 -7.699 258 HB2 SER 29 HB2 SER 29 2.820 -6.238 -6.512 259 HB3 SER 29 HB3 SER 29 2.291 -5.551 -8.046 260 HG SER 29 HG SER 29 1.270 -7.967 -6.972 261 H THR 30 H THR 30 3.339 -5.809 -10.205 262 HA THR 30 HA THR 30 2.749 -5.774 -12.353 263 HB THR 30 HB THR 30 2.714 -8.735 -12.613 264 HG1 THR 30 HG1 THR 30 4.740 -8.944 -11.972 265 HG21 THR 30 HG21 THR 30 3.918 -6.445 -14.145 266 HG22 THR 30 HG22 THR 30 2.425 -7.291 -14.545 267 HG23 THR 30 HG23 THR 30 3.972 -8.134 -14.647 268 H GLU 31 H GLU 31 0.984 -8.293 -10.578 269 HA GLU 31 HA GLU 31 -1.236 -8.049 -12.472 270 HB2 GLU 31 HB2 GLU 31 -0.564 -10.064 -10.360 271 HB3 GLU 31 HB3 GLU 31 -2.102 -10.054 -11.208 272 HG2 GLU 31 HG2 GLU 31 -0.900 -10.300 -13.343 273 HG3 GLU 31 HG3 GLU 31 0.618 -10.393 -12.452 274 H GLY 32 H GLY 32 -3.421 -8.062 -11.708 275 HA2 GLY 32 HA2 GLY 32 -5.174 -7.483 -10.355 276 HA3 GLY 32 HA3 GLY 32 -4.082 -7.607 -8.985 277 H ASN 33 H ASN 33 -5.709 -5.747 -8.537 278 HA ASN 33 HA ASN 33 -5.104 -3.210 -9.678 279 HB2 ASN 33 HB2 ASN 33 -7.167 -4.003 -8.234 280 HB3 ASN 33 HB3 ASN 33 -6.166 -3.472 -6.887 281 HD21 ASN 33 HD21 ASN 33 -5.746 -1.286 -6.618 282 HD22 ASN 33 HD22 ASN 33 -6.597 -0.065 -7.507 283 H LEU 34 H LEU 34 -3.756 -5.166 -7.167 284 HA LEU 34 HA LEU 34 -2.223 -3.245 -5.806 285 HB2 LEU 34 HB2 LEU 34 -1.699 -6.185 -6.236 286 HB3 LEU 34 HB3 LEU 34 -0.822 -5.172 -5.107 287 HG LEU 34 HG LEU 34 -3.758 -5.859 -4.969 288 HD11 LEU 34 HD11 LEU 34 -2.295 -7.710 -4.372 289 HD12 LEU 34 HD12 LEU 34 -3.119 -7.072 -2.949 290 HD13 LEU 34 HD13 LEU 34 -1.426 -6.671 -3.240 291 HD21 LEU 34 HD21 LEU 34 -3.725 -4.686 -2.817 292 HD22 LEU 34 HD22 LEU 34 -3.345 -3.599 -4.153 293 HD23 LEU 34 HD23 LEU 34 -2.055 -4.199 -3.112 294 H GLY 35 H GLY 35 -1.424 -5.351 -8.595 295 HA2 GLY 35 HA2 GLY 35 1.197 -4.621 -9.006 296 HA3 GLY 35 HA3 GLY 35 0.072 -4.996 -10.303 297 H GLY 36 H GLY 36 -1.688 -2.829 -10.040 298 HA2 GLY 36 HA2 GLY 36 -0.079 -0.780 -11.289 299 HA3 GLY 36 HA3 GLY 36 -1.821 -0.759 -11.106 300 H TRP 37 H TRP 37 -1.812 -1.189 -8.254 301 HA TRP 37 HA TRP 37 -1.676 1.423 -7.270 302 HB2 TRP 37 HB2 TRP 37 -2.862 -0.576 -6.230 303 HB3 TRP 37 HB3 TRP 37 -1.295 -1.042 -5.571 304 HD1 TRP 37 HD1 TRP 37 -3.683 1.990 -5.499 305 HE1 TRP 37 HE1 TRP 37 -3.446 3.155 -3.230 306 HE3 TRP 37 HE3 TRP 37 0.053 -0.868 -3.499 307 HZ2 TRP 37 HZ2 TRP 37 -1.891 2.898 -0.892 308 HZ3 TRP 37 HZ3 TRP 37 0.859 -0.343 -1.242 309 HH2 TRP 37 HH2 TRP 37 -0.096 1.507 0.038 310 H CYS 38 H CYS 38 0.634 -1.257 -6.931 311 HA CYS 38 HA CYS 38 2.579 0.086 -5.448 312 HB2 CYS 38 HB2 CYS 38 2.541 -2.357 -5.837 313 HB3 CYS 38 HB3 CYS 38 2.986 -2.085 -7.518 314 HG CYS 38 HG CYS 38 4.998 -2.870 -5.300 315 H HIS 39 H HIS 39 2.291 -0.316 -8.958 316 HA HIS 39 HA HIS 39 4.659 1.009 -9.642 317 HB2 HIS 39 HB2 HIS 39 2.169 0.256 -11.099 318 HB3 HIS 39 HB3 HIS 39 3.304 1.337 -11.888 319 HD1 HIS 39 HD1 HIS 39 2.604 -2.159 -11.367 320 HD2 HIS 39 HD2 HIS 39 6.010 0.124 -12.055 321 HE1 HIS 39 HE1 HIS 39 4.361 -3.780 -12.150 322 HE2 HIS 39 HE2 HIS 39 6.450 -2.401 -12.428 323 H THR 40 H THR 40 1.403 2.246 -9.139 324 HA THR 40 HA THR 40 2.071 4.872 -10.157 325 HB THR 40 HB THR 40 -0.412 4.076 -8.620 326 HG1 THR 40 HG1 THR 40 -0.343 2.664 -10.326 327 HG21 THR 40 HG21 THR 40 -1.443 5.867 -9.979 328 HG22 THR 40 HG22 THR 40 0.137 6.227 -10.672 329 HG23 THR 40 HG23 THR 40 -0.150 6.473 -8.949 330 H GLN 41 H GLN 41 1.710 3.325 -7.014 331 HA GLN 41 HA GLN 41 1.685 5.762 -5.535 332 HB2 GLN 41 HB2 GLN 41 1.437 2.950 -4.970 333 HB3 GLN 41 HB3 GLN 41 2.528 3.713 -3.819 334 HG2 GLN 41 HG2 GLN 41 0.236 3.714 -3.021 335 HG3 GLN 41 HG3 GLN 41 0.844 5.349 -3.254 336 HE21 GLN 41 HE21 GLN 41 -0.247 3.222 -5.831 337 HE22 GLN 41 HE22 GLN 41 -1.649 4.150 -6.255 338 H ARG 42 H ARG 42 4.176 3.838 -6.889 339 HA ARG 42 HA ARG 42 6.400 4.478 -5.369 340 HB2 ARG 42 HB2 ARG 42 6.166 4.410 -8.385 341 HB3 ARG 42 HB3 ARG 42 7.685 4.431 -7.502 342 HG2 ARG 42 HG2 ARG 42 5.601 2.266 -7.377 343 HG3 ARG 42 HG3 ARG 42 7.128 2.199 -8.261 344 HD2 ARG 42 HD2 ARG 42 8.345 2.460 -6.154 345 HD3 ARG 42 HD3 ARG 42 6.815 2.493 -5.279 346 HE ARG 42 HE ARG 42 6.531 0.177 -6.410 347 HH11 ARG 42 HH11 ARG 42 9.550 1.518 -5.225 348 HH12 ARG 42 HH12 ARG 42 10.206 -0.036 -4.803 349 HH21 ARG 42 HH21 ARG 42 7.412 -1.846 -5.861 350 HH22 ARG 42 HH22 ARG 42 9.000 -1.935 -5.160 351 H LYS 43 H LYS 43 4.819 6.349 -7.905 352 HA LYS 43 HA LYS 43 6.634 8.519 -7.778 353 HB2 LYS 43 HB2 LYS 43 5.356 7.995 -9.800 354 HB3 LYS 43 HB3 LYS 43 3.854 8.358 -8.962 355 HG2 LYS 43 HG2 LYS 43 5.910 10.488 -9.028 356 HG3 LYS 43 HG3 LYS 43 5.089 10.102 -10.543 357 HD2 LYS 43 HD2 LYS 43 3.325 10.358 -8.213 358 HD3 LYS 43 HD3 LYS 43 4.158 11.841 -8.675 359 HE2 LYS 43 HE2 LYS 43 2.525 10.106 -10.522 360 HE3 LYS 43 HE3 LYS 43 1.963 11.601 -9.776 361 HZ1 LYS 43 HZ1 LYS 43 4.173 11.313 -11.733 362 HZ2 LYS 43 HZ2 LYS 43 3.810 12.755 -10.918 363 HZ3 LYS 43 HZ3 LYS 43 2.680 12.074 -11.985 364 H MET 44 H MET 44 3.438 7.912 -6.349 365 HA MET 44 HA MET 44 3.038 10.514 -5.331 366 HB2 MET 44 HB2 MET 44 1.975 7.989 -4.068 367 HB3 MET 44 HB3 MET 44 1.259 9.595 -4.041 368 HG2 MET 44 HG2 MET 44 1.481 7.734 -6.387 369 HG3 MET 44 HG3 MET 44 0.015 8.230 -5.542 370 HE1 MET 44 HE1 MET 44 -0.699 8.604 -8.238 371 HE2 MET 44 HE2 MET 44 0.976 8.320 -8.716 372 HE3 MET 44 HE3 MET 44 0.136 9.776 -9.257 373 H ARG 45 H ARG 45 4.653 7.689 -4.087 374 HA ARG 45 HA ARG 45 5.013 8.627 -1.429 375 HB2 ARG 45 HB2 ARG 45 5.136 6.231 -2.299 376 HB3 ARG 45 HB3 ARG 45 6.740 6.617 -2.871 377 HG2 ARG 45 HG2 ARG 45 5.883 6.828 0.005 378 HG3 ARG 45 HG3 ARG 45 6.654 5.408 -0.693 379 HD2 ARG 45 HD2 ARG 45 7.865 8.168 -0.614 380 HD3 ARG 45 HD3 ARG 45 8.214 6.883 0.539 381 HE ARG 45 HE ARG 45 8.700 6.292 -2.277 382 HH11 ARG 45 HH11 ARG 45 9.986 7.180 0.856 383 HH12 ARG 45 HH12 ARG 45 11.629 6.774 0.444 384 HH21 ARG 45 HH21 ARG 45 10.848 5.774 -2.843 385 HH22 ARG 45 HH22 ARG 45 12.128 5.985 -1.677 386 H LYS 46 H LYS 46 7.139 8.541 -4.276 387 HA LYS 46 HA LYS 46 9.305 9.806 -2.932 388 HB2 LYS 46 HB2 LYS 46 9.443 8.293 -4.960 389 HB3 LYS 46 HB3 LYS 46 8.864 9.650 -5.915 390 HG2 LYS 46 HG2 LYS 46 11.217 10.122 -4.188 391 HG3 LYS 46 HG3 LYS 46 11.442 9.094 -5.598 392 HD2 LYS 46 HD2 LYS 46 10.237 11.856 -5.693 393 HD3 LYS 46 HD3 LYS 46 11.938 11.504 -5.998 394 HE2 LYS 46 HE2 LYS 46 11.098 9.860 -7.763 395 HE3 LYS 46 HE3 LYS 46 9.538 10.659 -7.590 396 HZ1 LYS 46 HZ1 LYS 46 12.081 11.990 -8.351 397 HZ2 LYS 46 HZ2 LYS 46 10.575 12.753 -8.203 398 HZ3 LYS 46 HZ3 LYS 46 10.819 11.588 -9.409 399 H GLN 47 H GLN 47 6.583 10.937 -4.808 400 HA GLN 47 HA GLN 47 7.511 13.601 -5.188 401 HB2 GLN 47 HB2 GLN 47 5.563 12.187 -6.319 402 HB3 GLN 47 HB3 GLN 47 4.601 12.967 -5.071 403 HG2 GLN 47 HG2 GLN 47 4.426 14.311 -6.986 404 HG3 GLN 47 HG3 GLN 47 5.516 15.152 -5.885 405 HE21 GLN 47 HE21 GLN 47 6.448 12.351 -7.734 406 HE22 GLN 47 HE22 GLN 47 7.537 13.167 -8.807 407 H GLY 48 H GLY 48 6.080 11.890 -2.571 408 HA2 GLY 48 HA2 GLY 48 5.734 12.588 -0.387 409 HA3 GLY 48 HA3 GLY 48 6.233 14.204 -0.864 410 H LYS 49 H LYS 49 3.662 12.312 -2.358 411 HA LYS 49 HA LYS 49 1.724 14.222 -1.223 412 HB2 LYS 49 HB2 LYS 49 0.383 13.889 -3.302 413 HB3 LYS 49 HB3 LYS 49 1.904 14.730 -3.541 414 HG2 LYS 49 HG2 LYS 49 2.912 12.777 -4.479 415 HG3 LYS 49 HG3 LYS 49 1.498 11.800 -4.079 416 HD2 LYS 49 HD2 LYS 49 1.446 14.173 -5.943 417 HD3 LYS 49 HD3 LYS 49 1.605 12.496 -6.473 418 HE2 LYS 49 HE2 LYS 49 -0.536 11.946 -5.499 419 HE3 LYS 49 HE3 LYS 49 -0.689 13.573 -4.836 420 HZ1 LYS 49 HZ1 LYS 49 -1.964 13.181 -6.915 421 HZ2 LYS 49 HZ2 LYS 49 -0.497 12.976 -7.744 422 HZ3 LYS 49 HZ3 LYS 49 -0.865 14.466 -7.024 423 H LEU 50 H LEU 50 2.714 11.104 -1.219 424 HA LEU 50 HA LEU 50 0.253 9.708 -0.997 425 HB2 LEU 50 HB2 LEU 50 3.092 9.189 -0.402 426 HB3 LEU 50 HB3 LEU 50 1.965 8.317 0.613 427 HG LEU 50 HG LEU 50 2.154 8.182 -2.396 428 HD11 LEU 50 HD11 LEU 50 2.786 5.866 -2.003 429 HD12 LEU 50 HD12 LEU 50 2.685 6.123 -0.262 430 HD13 LEU 50 HD13 LEU 50 3.911 6.967 -1.205 431 HD21 LEU 50 HD21 LEU 50 0.455 6.441 -2.235 432 HD22 LEU 50 HD22 LEU 50 -0.161 8.006 -1.697 433 HD23 LEU 50 HD23 LEU 50 0.283 6.775 -0.512 434 HA PRO 51 HA PRO 51 -0.931 11.049 3.104 435 HB2 PRO 51 HB2 PRO 51 -2.574 8.641 3.269 436 HB3 PRO 51 HB3 PRO 51 -3.077 10.330 3.192 437 HG2 PRO 51 HG2 PRO 51 -3.465 8.606 1.152 438 HG3 PRO 51 HG3 PRO 51 -3.177 10.338 0.899 439 HD2 PRO 51 HD2 PRO 51 -1.263 8.044 0.649 440 HD3 PRO 51 HD3 PRO 51 -1.460 9.468 -0.385 441 H ASN 52 H ASN 52 -0.243 10.650 5.076 442 HA ASN 52 HA ASN 52 1.743 8.645 5.448 443 HB2 ASN 52 HB2 ASN 52 0.611 10.757 7.260 444 HB3 ASN 52 HB3 ASN 52 1.796 9.583 7.828 445 HD21 ASN 52 HD21 ASN 52 3.391 11.084 8.191 446 HD22 ASN 52 HD22 ASN 52 4.215 11.909 6.904 447 H ASP 53 H ASP 53 -1.601 8.983 6.505 448 HA ASP 53 HA ASP 53 -1.622 7.148 8.608 449 HB2 ASP 53 HB2 ASP 53 -3.798 7.691 6.582 450 HB3 ASP 53 HB3 ASP 53 -4.031 6.772 8.063 451 H ARG 54 H ARG 54 -2.342 6.556 5.189 452 HA ARG 54 HA ARG 54 -2.645 3.806 5.248 453 HB2 ARG 54 HB2 ARG 54 -3.210 4.915 3.260 454 HB3 ARG 54 HB3 ARG 54 -1.638 5.696 3.148 455 HG2 ARG 54 HG2 ARG 54 -0.905 3.102 3.022 456 HG3 ARG 54 HG3 ARG 54 -2.495 3.035 2.254 457 HD2 ARG 54 HD2 ARG 54 -0.509 3.479 0.738 458 HD3 ARG 54 HD3 ARG 54 -1.876 4.591 0.609 459 HE ARG 54 HE ARG 54 -0.629 6.227 1.784 460 HH11 ARG 54 HH11 ARG 54 1.231 3.403 0.910 461 HH12 ARG 54 HH12 ARG 54 2.757 4.146 1.249 462 HH21 ARG 54 HH21 ARG 54 1.352 7.205 2.273 463 HH22 ARG 54 HH22 ARG 54 2.839 6.335 2.019 464 H ARG 55 H ARG 55 0.318 5.715 5.083 465 HA ARG 55 HA ARG 55 2.114 3.647 4.471 466 HB2 ARG 55 HB2 ARG 55 2.708 6.044 4.401 467 HB3 ARG 55 HB3 ARG 55 2.608 6.111 6.156 468 HG2 ARG 55 HG2 ARG 55 4.367 4.139 5.957 469 HG3 ARG 55 HG3 ARG 55 4.696 4.934 4.416 470 HD2 ARG 55 HD2 ARG 55 4.910 7.075 5.696 471 HD3 ARG 55 HD3 ARG 55 4.823 6.131 7.167 472 HE ARG 55 HE ARG 55 6.862 5.220 5.360 473 HH11 ARG 55 HH11 ARG 55 6.144 7.466 7.949 474 HH12 ARG 55 HH12 ARG 55 7.806 7.688 8.385 475 HH21 ARG 55 HH21 ARG 55 9.053 5.507 5.938 476 HH22 ARG 55 HH22 ARG 55 9.459 6.576 7.256 477 H LEU 56 H LEU 56 0.900 4.866 7.564 478 HA LEU 56 HA LEU 56 2.602 3.170 9.100 479 HB2 LEU 56 HB2 LEU 56 0.347 5.027 9.718 480 HB3 LEU 56 HB3 LEU 56 0.846 3.873 10.934 481 HG LEU 56 HG LEU 56 1.922 5.978 11.364 482 HD11 LEU 56 HD11 LEU 56 4.263 5.304 11.348 483 HD12 LEU 56 HD12 LEU 56 3.892 4.017 10.202 484 HD13 LEU 56 HD13 LEU 56 3.216 3.970 11.829 485 HD21 LEU 56 HD21 LEU 56 1.819 6.964 9.149 486 HD22 LEU 56 HD22 LEU 56 3.002 5.800 8.551 487 HD23 LEU 56 HD23 LEU 56 3.476 7.000 9.755 488 H LEU 57 H LEU 57 -0.680 3.014 7.882 489 HA LEU 57 HA LEU 57 -1.629 0.815 9.341 490 HB2 LEU 57 HB2 LEU 57 -2.269 1.581 6.489 491 HB3 LEU 57 HB3 LEU 57 -3.209 0.492 7.489 492 HG LEU 57 HG LEU 57 -2.801 3.433 8.034 493 HD11 LEU 57 HD11 LEU 57 -5.147 3.660 7.406 494 HD12 LEU 57 HD12 LEU 57 -5.215 1.945 7.004 495 HD13 LEU 57 HD13 LEU 57 -4.192 3.030 6.064 496 HD21 LEU 57 HD21 LEU 57 -3.099 2.147 10.076 497 HD22 LEU 57 HD22 LEU 57 -4.541 1.387 9.403 498 HD23 LEU 57 HD23 LEU 57 -4.531 3.119 9.736 499 H LEU 58 H LEU 58 0.356 1.021 6.445 500 HA LEU 58 HA LEU 58 0.239 -1.698 5.718 501 HB2 LEU 58 HB2 LEU 58 2.499 0.257 5.252 502 HB3 LEU 58 HB3 LEU 58 2.246 -1.249 4.392 503 HG LEU 58 HG LEU 58 0.616 1.274 4.227 504 HD11 LEU 58 HD11 LEU 58 1.099 1.067 1.839 505 HD12 LEU 58 HD12 LEU 58 2.049 -0.384 2.162 506 HD13 LEU 58 HD13 LEU 58 2.573 1.173 2.801 507 HD21 LEU 58 HD21 LEU 58 -0.930 0.080 2.768 508 HD22 LEU 58 HD22 LEU 58 -0.941 -0.588 4.401 509 HD23 LEU 58 HD23 LEU 58 -0.090 -1.432 3.108 510 H ASP 59 H ASP 59 2.306 0.094 7.919 511 HA ASP 59 HA ASP 59 4.176 -1.944 8.450 512 HB2 ASP 59 HB2 ASP 59 4.711 0.313 9.042 513 HB3 ASP 59 HB3 ASP 59 3.279 0.455 10.053 514 H LYS 60 H LYS 60 0.916 -1.451 9.533 515 HA LYS 60 HA LYS 60 1.147 -2.943 11.952 516 HB2 LYS 60 HB2 LYS 60 -0.447 -1.086 11.565 517 HB3 LYS 60 HB3 LYS 60 -1.274 -2.078 10.376 518 HG2 LYS 60 HG2 LYS 60 -1.164 -3.639 12.679 519 HG3 LYS 60 HG3 LYS 60 -1.581 -2.009 13.224 520 HD2 LYS 60 HD2 LYS 60 -3.625 -3.000 12.705 521 HD3 LYS 60 HD3 LYS 60 -3.267 -1.997 11.308 522 HE2 LYS 60 HE2 LYS 60 -3.987 -4.043 10.418 523 HE3 LYS 60 HE3 LYS 60 -2.234 -4.075 10.286 524 HZ1 LYS 60 HZ1 LYS 60 -2.234 -5.334 12.440 525 HZ2 LYS 60 HZ2 LYS 60 -2.882 -6.168 11.117 526 HZ3 LYS 60 HZ3 LYS 60 -3.917 -5.492 12.277 527 H ILE 61 H ILE 61 0.070 -3.593 8.632 528 HA ILE 61 HA ILE 61 -0.732 -6.295 9.288 529 HB ILE 61 HB ILE 61 -0.813 -6.547 6.724 530 HG12 ILE 61 HG12 ILE 61 -0.600 -3.536 6.932 531 HG13 ILE 61 HG13 ILE 61 0.571 -4.605 6.171 532 HG21 ILE 61 HG21 ILE 61 -2.654 -4.558 8.038 533 HG22 ILE 61 HG22 ILE 61 -2.775 -6.313 8.178 534 HG23 ILE 61 HG23 ILE 61 -3.002 -5.539 6.610 535 HD11 ILE 61 HD11 ILE 61 -0.842 -3.483 4.531 536 HD12 ILE 61 HD12 ILE 61 -2.270 -4.209 5.267 537 HD13 ILE 61 HD13 ILE 61 -1.062 -5.231 4.488 538 H GLY 62 H GLY 62 2.198 -4.758 8.635 539 HA2 GLY 62 HA2 GLY 62 4.198 -6.014 9.106 540 HA3 GLY 62 HA3 GLY 62 3.456 -7.404 8.334 541 H PHE 63 H PHE 63 3.031 -4.404 6.736 542 HA PHE 63 HA PHE 63 4.654 -5.252 4.518 543 HB2 PHE 63 HB2 PHE 63 2.528 -3.983 4.216 544 HB3 PHE 63 HB3 PHE 63 3.263 -2.599 5.009 545 HD1 PHE 63 HD1 PHE 63 5.133 -1.395 3.891 546 HD2 PHE 63 HD2 PHE 63 2.894 -4.435 1.927 547 HE1 PHE 63 HE1 PHE 63 5.936 -0.577 1.716 548 HE2 PHE 63 HE2 PHE 63 3.694 -3.622 -0.253 549 HZ PHE 63 HZ PHE 63 5.217 -1.692 -0.361 550 H VAL 64 H VAL 64 6.750 -5.180 4.697 551 HA VAL 64 HA VAL 64 8.030 -3.415 6.542 552 HB VAL 64 HB VAL 64 8.759 -5.741 6.207 553 HG11 VAL 64 HG11 VAL 64 8.452 -5.954 3.816 554 HG12 VAL 64 HG12 VAL 64 10.111 -6.353 4.263 555 HG13 VAL 64 HG13 VAL 64 9.748 -4.792 3.528 556 HG21 VAL 64 HG21 VAL 64 10.285 -4.164 7.207 557 HG22 VAL 64 HG22 VAL 64 10.837 -3.642 5.615 558 HG23 VAL 64 HG23 VAL 64 11.184 -5.279 6.175 559 H TRP 65 H TRP 65 8.985 -1.547 6.165 560 HA TRP 65 HA TRP 65 8.996 -0.487 3.451 561 HB2 TRP 65 HB2 TRP 65 9.424 0.810 6.148 562 HB3 TRP 65 HB3 TRP 65 9.554 1.673 4.619 563 HD1 TRP 65 HD1 TRP 65 7.038 0.540 7.160 564 HE1 TRP 65 HE1 TRP 65 4.672 1.208 6.391 565 HE3 TRP 65 HE3 TRP 65 8.105 1.891 2.343 566 HZ2 TRP 65 HZ2 TRP 65 3.430 2.172 4.048 567 HZ3 TRP 65 HZ3 TRP 65 6.267 2.670 0.902 568 HH2 TRP 65 HH2 TRP 65 3.979 2.808 1.740 569 H SER 66 H SER 66 10.922 -2.470 4.673 570 HA SER 66 HA SER 66 13.091 -3.049 4.494 571 HB2 SER 66 HB2 SER 66 12.745 -2.066 2.179 572 HB3 SER 66 HB3 SER 66 13.480 -0.583 2.787 573 HG SER 66 HG SER 66 15.025 -1.947 1.780 574 H LEU 67 H LEU 67 15.424 -1.525 4.367 575 HA LEU 67 HA LEU 67 16.941 -0.481 5.688 576 HB2 LEU 67 HB2 LEU 67 15.311 1.434 5.374 577 HB3 LEU 67 HB3 LEU 67 14.626 1.007 6.929 578 HG LEU 67 HG LEU 67 16.815 1.447 7.995 579 HD11 LEU 67 HD11 LEU 67 17.620 2.405 5.251 580 HD12 LEU 67 HD12 LEU 67 18.264 0.994 6.093 581 HD13 LEU 67 HD13 LEU 67 18.555 2.612 6.733 582 HD21 LEU 67 HD21 LEU 67 15.664 3.707 6.367 583 HD22 LEU 67 HD22 LEU 67 16.754 3.900 7.740 584 HD23 LEU 67 HD23 LEU 67 15.154 3.195 7.976 585 H GLU 68 H GLU 68 17.305 0.049 8.239 586 HA GLU 68 HA GLU 68 16.830 -2.520 9.467 587 HB2 GLU 68 HB2 GLU 68 19.054 -1.485 9.623 588 HB3 GLU 68 HB3 GLU 68 18.365 -0.144 10.528 589 HG2 GLU 68 HG2 GLU 68 17.748 -1.630 12.332 590 HG3 GLU 68 HG3 GLU 68 18.323 -3.021 11.417 591 H HIS 69 H HIS 69 14.514 -2.208 9.592 592 HA HIS 69 HA HIS 69 13.700 -0.600 11.899 593 HB2 HIS 69 HB2 HIS 69 12.190 -1.920 9.673 594 HB3 HIS 69 HB3 HIS 69 11.372 -1.601 11.199 595 HD1 HIS 69 HD1 HIS 69 10.741 0.803 11.732 596 HD2 HIS 69 HD2 HIS 69 12.914 0.414 8.202 597 HE1 HIS 69 HE1 HIS 69 10.580 3.035 10.584 598 HE2 HIS 69 HE2 HIS 69 12.068 2.837 8.561 599 H HIS 70 H HIS 70 14.628 -1.800 13.542 600 HA HIS 70 HA HIS 70 14.149 -4.618 13.780 601 HB2 HIS 70 HB2 HIS 70 16.151 -3.406 14.750 602 HB3 HIS 70 HB3 HIS 70 15.064 -2.725 15.957 603 HD1 HIS 70 HD1 HIS 70 14.829 -4.050 18.044 604 HD2 HIS 70 HD2 HIS 70 16.164 -6.363 14.860 605 HE1 HIS 70 HE1 HIS 70 15.311 -6.320 19.011 606 HE2 HIS 70 HE2 HIS 70 15.928 -7.752 17.030 607 H HIS 71 H HIS 71 12.102 -5.230 14.012 608 HA HIS 71 HA HIS 71 10.161 -3.511 15.287 609 HB2 HIS 71 HB2 HIS 71 9.808 -4.930 13.184 610 HB3 HIS 71 HB3 HIS 71 9.695 -6.312 14.263 611 HD1 HIS 71 HD1 HIS 71 7.731 -3.628 12.786 612 HD2 HIS 71 HD2 HIS 71 7.427 -6.107 16.116 613 HE1 HIS 71 HE1 HIS 71 5.330 -3.502 13.506 614 HE2 HIS 71 HE2 HIS 71 5.122 -5.211 15.344 615 H HIS 72 H HIS 72 10.167 -3.448 17.437 616 HA HIS 72 HA HIS 72 10.794 -5.805 19.019 617 HB2 HIS 72 HB2 HIS 72 11.684 -3.550 19.612 618 HB3 HIS 72 HB3 HIS 72 10.037 -3.008 19.908 619 HD1 HIS 72 HD1 HIS 72 9.388 -3.064 22.287 620 HD2 HIS 72 HD2 HIS 72 12.298 -5.908 21.416 621 HE1 HIS 72 HE1 HIS 72 9.955 -4.155 24.481 622 HE2 HIS 72 HE2 HIS 72 11.832 -5.755 23.952 623 H HIS 73 H HIS 73 9.322 -7.058 20.059 624 HA HIS 73 HA HIS 73 6.531 -6.600 19.484 625 HB2 HIS 73 HB2 HIS 73 6.087 -8.724 20.576 626 HB3 HIS 73 HB3 HIS 73 7.432 -8.902 19.463 627 HD1 HIS 73 HD1 HIS 73 6.768 -8.583 23.200 628 HD2 HIS 73 HD2 HIS 73 9.668 -10.001 20.569 629 HE1 HIS 73 HE1 HIS 73 8.465 -9.765 24.628 630 HE2 HIS 73 HE2 HIS 73 10.303 -10.431 23.042 631 H HIS 74 H HIS 74 4.877 -6.297 20.974 632 HA HIS 74 HA HIS 74 5.544 -5.727 23.724 633 HB2 HIS 74 HB2 HIS 74 4.508 -3.455 23.674 634 HB3 HIS 74 HB3 HIS 74 6.020 -3.558 22.789 635 HD1 HIS 74 HD1 HIS 74 2.585 -2.441 22.475 636 HD2 HIS 74 HD2 HIS 74 5.584 -3.671 19.869 637 HE1 HIS 74 HE1 HIS 74 1.895 -1.611 20.201 638 HE2 HIS 74 HE2 HIS 74 3.853 -2.139 18.704
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