NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
25752 | 2kbr | 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 HT1 MET 1 -18.773 9.392 3.081 2 H2 MET 1 HT2 MET 1 -17.100 9.518 3.447 3 H3 MET 1 HT3 MET 1 -17.858 7.980 3.407 4 HA MET 1 HA MET 1 -18.409 8.524 1.027 5 HB2 MET 1 HB2 MET 1 -17.436 10.946 1.696 6 HB3 MET 1 HB1 MET 1 -15.965 10.209 1.075 7 HG2 MET 1 HG2 MET 1 -16.878 9.917 -1.059 8 HG3 MET 1 HG1 MET 1 -18.523 10.180 -0.485 9 HE1 MET 1 HE1 MET 1 -17.611 12.040 -3.145 10 HE2 MET 1 HE2 MET 1 -18.663 13.285 -2.472 11 HE3 MET 1 HE3 MET 1 -19.083 11.582 -2.288 12 H ASP 2 H ASP 2 -15.660 8.109 3.135 13 HA ASP 2 HA ASP 2 -14.199 6.537 1.179 14 HB2 ASP 2 HB2 ASP 2 -13.630 7.646 3.880 15 HB3 ASP 2 HB1 ASP 2 -12.756 6.193 3.407 16 H ARG 3 H ARG 3 -15.340 4.682 0.805 17 HA ARG 3 HA ARG 3 -15.200 2.659 2.855 18 HB2 ARG 3 HB2 ARG 3 -17.719 4.011 2.210 19 HB3 ARG 3 HB1 ARG 3 -17.811 2.261 2.075 20 HG2 ARG 3 HG2 ARG 3 -17.146 1.976 4.347 21 HG3 ARG 3 HG1 ARG 3 -16.772 3.693 4.508 22 HD2 ARG 3 HD2 ARG 3 -19.477 3.357 3.607 23 HD3 ARG 3 HD1 ARG 3 -19.204 2.394 5.056 24 HE ARG 3 HE ARG 3 -18.873 4.337 6.275 25 HH11 ARG 3 HH11 ARG 3 -19.219 5.085 2.878 26 HH12 ARG 3 HH12 ARG 3 -19.427 6.782 3.148 27 HH21 ARG 3 HH21 ARG 3 -19.145 6.567 6.623 28 HH22 ARG 3 HH22 ARG 3 -19.384 7.623 5.271 29 H LYS 4 H LYS 4 -16.504 3.515 -0.332 30 HA LYS 4 HA LYS 4 -16.591 0.916 -1.386 31 HB2 LYS 4 HB2 LYS 4 -16.666 3.663 -2.473 32 HB3 LYS 4 HB1 LYS 4 -16.130 2.424 -3.599 33 HG2 LYS 4 HG2 LYS 4 -18.266 1.167 -2.732 34 HG3 LYS 4 HG1 LYS 4 -18.782 2.802 -2.314 35 HD2 LYS 4 HD2 LYS 4 -18.960 3.450 -4.488 36 HD3 LYS 4 HD1 LYS 4 -17.652 2.391 -5.023 37 HE2 LYS 4 HE2 LYS 4 -19.520 0.581 -4.234 38 HE3 LYS 4 HE1 LYS 4 -20.539 1.887 -4.836 39 HZ1 LYS 4 HZ1 LYS 4 -18.866 0.053 -6.284 40 HZ2 LYS 4 HZ2 LYS 4 -18.637 1.664 -6.748 41 HZ3 LYS 4 HZ3 LYS 4 -20.180 0.974 -6.823 42 H VAL 5 H VAL 5 -13.955 3.193 -1.049 43 HA VAL 5 HA VAL 5 -12.115 2.170 -2.846 44 HB VAL 5 HB VAL 5 -11.462 3.110 -0.047 45 HG11 VAL 5 HG11 VAL 5 -9.639 3.742 -2.249 46 HG12 VAL 5 HG12 VAL 5 -9.788 2.016 -1.909 47 HG13 VAL 5 HG13 VAL 5 -9.297 3.129 -0.631 48 HG21 VAL 5 HG21 VAL 5 -12.815 4.538 -1.992 49 HG22 VAL 5 HG22 VAL 5 -11.139 5.058 -2.175 50 HG23 VAL 5 HG23 VAL 5 -11.944 5.213 -0.614 51 H ALA 6 H ALA 6 -13.168 0.936 0.248 52 HA ALA 6 HA ALA 6 -11.146 -1.045 0.522 53 HB1 ALA 6 HB1 ALA 6 -12.252 -0.359 2.501 54 HB2 ALA 6 HB2 ALA 6 -12.751 -2.024 2.204 55 HB3 ALA 6 HB3 ALA 6 -13.840 -0.693 1.812 56 H ARG 7 H ARG 7 -14.456 -1.046 -0.740 57 HA ARG 7 HA ARG 7 -14.539 -3.836 -1.281 58 HB2 ARG 7 HB2 ARG 7 -16.482 -2.118 -1.121 59 HB3 ARG 7 HB1 ARG 7 -16.136 -1.810 -2.817 60 HG2 ARG 7 HG2 ARG 7 -16.733 -3.981 -3.452 61 HG3 ARG 7 HG1 ARG 7 -16.646 -4.582 -1.796 62 HD2 ARG 7 HD2 ARG 7 -18.872 -4.327 -1.802 63 HD3 ARG 7 HD1 ARG 7 -18.519 -2.616 -1.571 64 HE ARG 7 HE ARG 7 -18.599 -3.416 -4.330 65 HH11 ARG 7 HH11 ARG 7 -20.500 -2.345 -1.607 66 HH12 ARG 7 HH12 ARG 7 -21.776 -1.708 -2.588 67 HH21 ARG 7 HH21 ARG 7 -20.275 -2.577 -5.623 68 HH22 ARG 7 HH22 ARG 7 -21.648 -1.839 -4.868 69 H GLU 8 H GLU 8 -13.700 -1.022 -3.236 70 HA GLU 8 HA GLU 8 -13.311 -2.505 -5.633 71 HB2 GLU 8 HB2 GLU 8 -12.785 0.271 -4.719 72 HB3 GLU 8 HB1 GLU 8 -11.820 -0.309 -6.069 73 HG2 GLU 8 HG2 GLU 8 -13.827 -0.809 -7.327 74 HG3 GLU 8 HG1 GLU 8 -14.826 -0.313 -5.962 75 H PHE 9 H PHE 9 -11.317 -1.663 -2.900 76 HA PHE 9 HA PHE 9 -8.840 -2.426 -4.127 77 HB2 PHE 9 HB2 PHE 9 -8.830 -0.808 -2.313 78 HB3 PHE 9 HB1 PHE 9 -9.587 -1.971 -1.230 79 HD1 PHE 9 HD2 PHE 9 -6.560 -1.646 -3.388 80 HD2 PHE 9 HD1 PHE 9 -8.243 -3.118 0.234 81 HE1 PHE 9 HE2 PHE 9 -4.337 -2.423 -2.673 82 HE2 PHE 9 HE1 PHE 9 -6.022 -3.896 0.955 83 HZ PHE 9 HZ PHE 9 -4.067 -3.548 -0.501 84 H ARG 10 H ARG 10 -11.130 -3.928 -1.878 85 HA ARG 10 HA ARG 10 -9.598 -6.332 -1.630 86 HB2 ARG 10 HB2 ARG 10 -11.476 -7.199 -0.367 87 HB3 ARG 10 HB1 ARG 10 -11.116 -5.561 0.154 88 HG2 ARG 10 HG2 ARG 10 -13.197 -4.936 -0.255 89 HG3 ARG 10 HG1 ARG 10 -13.063 -5.462 -1.931 90 HD2 ARG 10 HD2 ARG 10 -14.494 -7.103 -1.499 91 HD3 ARG 10 HD1 ARG 10 -13.331 -7.792 -0.369 92 HE ARG 10 HE ARG 10 -14.912 -5.665 0.745 93 HH11 ARG 10 HH11 ARG 10 -14.756 -9.096 0.124 94 HH12 ARG 10 HH12 ARG 10 -15.860 -9.502 1.395 95 HH21 ARG 10 HH21 ARG 10 -16.364 -6.198 2.416 96 HH22 ARG 10 HH22 ARG 10 -16.775 -7.857 2.696 97 H HIS 11 H HIS 11 -12.273 -5.245 -3.646 98 HA HIS 11 HA HIS 11 -12.859 -7.831 -4.703 99 HB2 HIS 11 HB2 HIS 11 -14.416 -5.825 -4.702 100 HB3 HIS 11 HB1 HIS 11 -13.461 -5.192 -6.039 101 HD1 HIS 11 HD1 HIS 11 -16.223 -5.575 -6.824 102 HD2 HIS 11 HD2 HIS 11 -13.565 -8.769 -6.842 103 HE1 HIS 11 HE1 HIS 11 -17.226 -7.275 -8.383 104 HE2 HIS 11 HE2 HIS 11 -15.645 -9.234 -8.307 105 H LYS 12 H LYS 12 -10.711 -5.204 -5.649 106 HA LYS 12 HA LYS 12 -10.066 -6.248 -8.204 107 HB2 LYS 12 HB2 LYS 12 -9.371 -4.097 -8.197 108 HB3 LYS 12 HB1 LYS 12 -9.180 -4.069 -6.455 109 HG2 LYS 12 HG2 LYS 12 -7.062 -3.647 -7.294 110 HG3 LYS 12 HG1 LYS 12 -7.016 -5.344 -6.825 111 HD2 LYS 12 HD2 LYS 12 -6.185 -5.676 -8.889 112 HD3 LYS 12 HD1 LYS 12 -7.860 -5.506 -9.416 113 HE2 LYS 12 HE2 LYS 12 -5.720 -3.386 -9.364 114 HE3 LYS 12 HE1 LYS 12 -6.517 -4.076 -10.778 115 HZ1 LYS 12 HZ1 LYS 12 -7.382 -1.878 -10.200 116 HZ2 LYS 12 HZ2 LYS 12 -7.867 -2.455 -8.686 117 HZ3 LYS 12 HZ3 LYS 12 -8.581 -3.066 -10.091 118 H VAL 13 H VAL 13 -8.337 -6.301 -5.086 119 HA VAL 13 HA VAL 13 -6.200 -7.904 -5.824 120 HB VAL 13 HB VAL 13 -7.585 -7.978 -3.140 121 HG11 VAL 13 HG11 VAL 13 -5.633 -9.610 -3.936 122 HG12 VAL 13 HG12 VAL 13 -5.742 -8.995 -2.287 123 HG13 VAL 13 HG13 VAL 13 -4.649 -8.233 -3.441 124 HG21 VAL 13 HG21 VAL 13 -6.813 -5.939 -2.649 125 HG22 VAL 13 HG22 VAL 13 -6.574 -5.734 -4.385 126 HG23 VAL 13 HG23 VAL 13 -5.237 -6.272 -3.368 127 H ASP 14 H ASP 14 -9.469 -8.795 -4.872 128 HA ASP 14 HA ASP 14 -8.964 -11.598 -4.754 129 HB2 ASP 14 HB2 ASP 14 -10.897 -10.359 -3.658 130 HB3 ASP 14 HB1 ASP 14 -11.638 -10.288 -5.254 131 H PHE 15 H PHE 15 -9.808 -9.351 -7.290 132 HA PHE 15 HA PHE 15 -10.682 -11.281 -9.189 133 HB2 PHE 15 HB2 PHE 15 -10.681 -8.529 -9.059 134 HB3 PHE 15 HB1 PHE 15 -9.464 -8.850 -10.291 135 HD1 PHE 15 HD1 PHE 15 -10.237 -10.758 -12.021 136 HD2 PHE 15 HD2 PHE 15 -12.824 -8.221 -9.791 137 HE1 PHE 15 HE1 PHE 15 -12.013 -11.111 -13.688 138 HE2 PHE 15 HE2 PHE 15 -14.605 -8.569 -11.452 139 HZ PHE 15 HZ PHE 15 -14.200 -10.017 -13.403 140 H LEU 16 H LEU 16 -7.593 -10.039 -8.200 141 HA LEU 16 HA LEU 16 -6.194 -11.184 -10.463 142 HB2 LEU 16 HB2 LEU 16 -4.783 -10.171 -8.044 143 HB3 LEU 16 HB1 LEU 16 -4.314 -10.065 -9.730 144 HG LEU 16 HG LEU 16 -6.726 -8.535 -8.915 145 HD11 LEU 16 HD11 LEU 16 -4.548 -8.334 -7.284 146 HD12 LEU 16 HD12 LEU 16 -5.735 -7.059 -7.557 147 HD13 LEU 16 HD13 LEU 16 -4.230 -7.074 -8.477 148 HD21 LEU 16 HD21 LEU 16 -6.166 -8.312 -11.168 149 HD22 LEU 16 HD22 LEU 16 -4.439 -8.223 -10.827 150 HD23 LEU 16 HD23 LEU 16 -5.487 -6.864 -10.422 151 H ILE 17 H ILE 17 -6.230 -11.670 -6.950 152 HA ILE 17 HA ILE 17 -4.627 -14.040 -7.089 153 HB ILE 17 HB ILE 17 -6.312 -13.181 -4.756 154 HG12 ILE 17 HG12 ILE 17 -4.941 -11.284 -5.503 155 HG13 ILE 17 HG11 ILE 17 -4.395 -11.909 -3.952 156 HG21 ILE 17 HG21 ILE 17 -4.389 -15.272 -5.245 157 HG22 ILE 17 HG22 ILE 17 -5.456 -15.023 -3.863 158 HG23 ILE 17 HG23 ILE 17 -3.879 -14.236 -3.912 159 HD11 ILE 17 HD11 ILE 17 -2.923 -13.287 -5.889 160 HD12 ILE 17 HD12 ILE 17 -2.355 -12.026 -4.795 161 HD13 ILE 17 HD13 ILE 17 -2.947 -11.599 -6.402 162 H GLU 18 H GLU 18 -8.002 -13.439 -6.209 163 HA GLU 18 HA GLU 18 -9.822 -14.731 -6.266 164 HB2 GLU 18 HB2 GLU 18 -8.344 -16.581 -8.091 165 HB3 GLU 18 HB1 GLU 18 -10.075 -16.282 -8.019 166 HG2 GLU 18 HG2 GLU 18 -9.506 -13.903 -8.735 167 HG3 GLU 18 HG1 GLU 18 -7.918 -14.547 -9.148 168 H ASN 19 H ASN 19 -7.102 -15.470 -4.889 169 HA ASN 19 HA ASN 19 -7.918 -18.119 -3.918 170 HB2 ASN 19 HB2 ASN 19 -5.422 -17.141 -4.714 171 HB3 ASN 19 HB1 ASN 19 -5.331 -17.223 -2.957 172 HD21 ASN 19 HD21 ASN 19 -4.079 -18.959 -2.665 173 HD22 ASN 19 HD22 ASN 19 -4.444 -20.548 -3.235 174 H ASP 20 H ASP 20 -7.279 -18.490 -1.537 175 HA ASP 20 HA ASP 20 -8.290 -16.212 0.012 176 HB2 ASP 20 HB2 ASP 20 -8.702 -19.137 0.181 177 HB3 ASP 20 HB1 ASP 20 -8.552 -18.293 1.719 178 H ALA 21 H ALA 21 -5.985 -18.915 0.199 179 HA ALA 21 HA ALA 21 -4.702 -18.161 2.553 180 HB1 ALA 21 HB1 ALA 21 -2.787 -19.505 1.710 181 HB2 ALA 21 HB2 ALA 21 -3.618 -19.636 0.160 182 HB3 ALA 21 HB3 ALA 21 -4.339 -20.337 1.608 183 H GLU 22 H GLU 22 -4.090 -17.197 -0.783 184 HA GLU 22 HA GLU 22 -1.738 -15.709 -0.253 185 HB2 GLU 22 HB2 GLU 22 -3.724 -15.695 -2.516 186 HB3 GLU 22 HB1 GLU 22 -2.369 -14.576 -2.475 187 HG2 GLU 22 HG2 GLU 22 -1.068 -16.882 -2.039 188 HG3 GLU 22 HG1 GLU 22 -2.423 -17.470 -3.001 189 H LYS 23 H LYS 23 -5.151 -14.765 -0.581 190 HA LYS 23 HA LYS 23 -4.750 -12.005 -0.165 191 HB2 LYS 23 HB2 LYS 23 -6.933 -13.683 -0.673 192 HB3 LYS 23 HB1 LYS 23 -7.291 -12.941 0.881 193 HG2 LYS 23 HG2 LYS 23 -6.865 -10.719 -0.160 194 HG3 LYS 23 HG1 LYS 23 -6.714 -11.536 -1.717 195 HD2 LYS 23 HD2 LYS 23 -9.144 -11.586 0.072 196 HD3 LYS 23 HD1 LYS 23 -8.963 -10.616 -1.391 197 HE2 LYS 23 HE2 LYS 23 -9.930 -12.349 -2.430 198 HE3 LYS 23 HE1 LYS 23 -8.352 -13.121 -2.291 199 HZ1 LYS 23 HZ1 LYS 23 -9.808 -14.676 -1.417 200 HZ2 LYS 23 HZ2 LYS 23 -10.753 -13.519 -0.624 201 HZ3 LYS 23 HZ3 LYS 23 -9.219 -13.909 -0.029 202 H ASP 24 H ASP 24 -5.074 -14.717 2.010 203 HA ASP 24 HA ASP 24 -5.560 -13.289 4.387 204 HB2 ASP 24 HB2 ASP 24 -5.570 -15.875 3.874 205 HB3 ASP 24 HB1 ASP 24 -3.891 -15.779 4.393 206 H TYR 25 H TYR 25 -2.531 -14.469 2.937 207 HA TYR 25 HA TYR 25 -0.854 -13.268 4.884 208 HB2 TYR 25 HB2 TYR 25 -0.122 -15.157 3.461 209 HB3 TYR 25 HB1 TYR 25 -0.181 -14.105 2.052 210 HD1 TYR 25 HD2 TYR 25 1.642 -14.914 5.129 211 HD2 TYR 25 HD1 TYR 25 1.533 -12.437 1.671 212 HE1 TYR 25 HE2 TYR 25 3.969 -14.238 5.546 213 HE2 TYR 25 HE1 TYR 25 3.860 -11.755 2.079 214 HH TYR 25 HH TYR 25 5.931 -12.980 3.412 215 H LEU 26 H LEU 26 -1.848 -12.252 1.616 216 HA LEU 26 HA LEU 26 -0.341 -9.889 1.546 217 HB2 LEU 26 HB2 LEU 26 -1.428 -10.681 -0.460 218 HB3 LEU 26 HB1 LEU 26 -3.009 -10.558 0.291 219 HG LEU 26 HG LEU 26 -2.645 -8.064 0.421 220 HD11 LEU 26 HD11 LEU 26 -0.874 -7.024 -0.585 221 HD12 LEU 26 HD12 LEU 26 -0.576 -8.361 -1.696 222 HD13 LEU 26 HD13 LEU 26 -0.083 -8.492 -0.006 223 HD21 LEU 26 HD21 LEU 26 -4.021 -9.206 -1.308 224 HD22 LEU 26 HD22 LEU 26 -2.606 -9.220 -2.362 225 HD23 LEU 26 HD23 LEU 26 -3.310 -7.686 -1.849 226 H TYR 27 H TYR 27 -3.513 -10.635 2.873 227 HA TYR 27 HA TYR 27 -4.183 -8.018 3.690 228 HB2 TYR 27 HB2 TYR 27 -5.088 -10.764 4.370 229 HB3 TYR 27 HB1 TYR 27 -5.404 -9.522 5.576 230 HD1 TYR 27 HD1 TYR 27 -6.178 -7.189 4.203 231 HD2 TYR 27 HD2 TYR 27 -6.970 -11.228 3.125 232 HE1 TYR 27 HE1 TYR 27 -8.157 -6.458 2.939 233 HE2 TYR 27 HE2 TYR 27 -8.951 -10.508 1.857 234 HH TYR 27 HH TYR 27 -10.521 -8.610 1.817 235 H ASP 28 H ASP 28 -2.144 -10.544 5.008 236 HA ASP 28 HA ASP 28 -1.770 -9.345 7.572 237 HB2 ASP 28 HB2 ASP 28 -1.345 -11.794 6.871 238 HB3 ASP 28 HB1 ASP 28 0.186 -11.206 6.234 239 H VAL 29 H VAL 29 -0.205 -9.105 4.423 240 HA VAL 29 HA VAL 29 2.140 -7.779 5.247 241 HB VAL 29 HB VAL 29 0.677 -7.444 2.621 242 HG11 VAL 29 HG11 VAL 29 3.626 -7.155 3.116 243 HG12 VAL 29 HG12 VAL 29 2.514 -5.794 3.249 244 HG13 VAL 29 HG13 VAL 29 2.691 -6.641 1.712 245 HG21 VAL 29 HG21 VAL 29 2.672 -9.498 3.544 246 HG22 VAL 29 HG22 VAL 29 2.336 -9.183 1.842 247 HG23 VAL 29 HG23 VAL 29 1.053 -9.766 2.901 248 H LEU 30 H LEU 30 -1.002 -6.521 4.157 249 HA LEU 30 HA LEU 30 -0.356 -3.793 4.377 250 HB2 LEU 30 HB2 LEU 30 -3.075 -5.042 4.760 251 HB3 LEU 30 HB1 LEU 30 -2.736 -3.382 4.309 252 HG LEU 30 HG LEU 30 -1.985 -5.738 2.586 253 HD11 LEU 30 HD11 LEU 30 -4.466 -5.518 3.026 254 HD12 LEU 30 HD12 LEU 30 -3.964 -5.441 1.337 255 HD13 LEU 30 HD13 LEU 30 -4.379 -3.962 2.202 256 HD21 LEU 30 HD21 LEU 30 -2.065 -3.868 0.841 257 HD22 LEU 30 HD22 LEU 30 -0.697 -3.891 1.954 258 HD23 LEU 30 HD23 LEU 30 -2.025 -2.761 2.214 259 H ARG 31 H ARG 31 -1.793 -6.074 6.655 260 HA ARG 31 HA ARG 31 -2.349 -4.306 8.740 261 HB2 ARG 31 HB2 ARG 31 -2.612 -7.006 8.353 262 HB3 ARG 31 HB1 ARG 31 -1.359 -6.943 9.584 263 HG2 ARG 31 HG2 ARG 31 -3.457 -5.132 10.278 264 HG3 ARG 31 HG1 ARG 31 -4.140 -6.717 9.920 265 HD2 ARG 31 HD2 ARG 31 -2.610 -7.754 11.503 266 HD3 ARG 31 HD1 ARG 31 -1.865 -6.189 11.830 267 HE ARG 31 HE ARG 31 -4.465 -5.758 12.420 268 HH11 ARG 31 HH11 ARG 31 -2.184 -8.209 13.404 269 HH12 ARG 31 HH12 ARG 31 -2.920 -8.450 14.952 270 HH21 ARG 31 HH21 ARG 31 -5.435 -6.074 14.454 271 HH22 ARG 31 HH22 ARG 31 -4.767 -7.239 15.548 272 H MET 32 H MET 32 0.639 -5.838 7.750 273 HA MET 32 HA MET 32 2.130 -5.158 10.082 274 HB2 MET 32 HB2 MET 32 2.573 -6.611 7.679 275 HB3 MET 32 HB1 MET 32 3.833 -5.391 7.793 276 HG2 MET 32 HG2 MET 32 3.392 -6.741 10.317 277 HG3 MET 32 HG1 MET 32 3.805 -7.862 9.022 278 HE1 MET 32 HE1 MET 32 4.876 -6.359 11.778 279 HE2 MET 32 HE2 MET 32 6.528 -5.763 11.613 280 HE3 MET 32 HE3 MET 32 6.203 -7.492 11.522 281 H TYR 33 H TYR 33 1.993 -3.781 6.799 282 HA TYR 33 HA TYR 33 3.731 -1.645 7.202 283 HB2 TYR 33 HB2 TYR 33 2.989 -2.245 4.982 284 HB3 TYR 33 HB1 TYR 33 1.318 -1.871 5.392 285 HD1 TYR 33 HD1 TYR 33 4.578 -0.055 5.727 286 HD2 TYR 33 HD2 TYR 33 0.565 0.014 4.312 287 HE1 TYR 33 HE1 TYR 33 4.904 2.247 4.927 288 HE2 TYR 33 HE2 TYR 33 0.882 2.316 3.509 289 HH TYR 33 HH TYR 33 3.386 3.692 2.807 290 H HIS 34 H HIS 34 0.498 -2.126 8.323 291 HA HIS 34 HA HIS 34 -0.071 0.648 8.806 292 HB2 HIS 34 HB2 HIS 34 -1.884 -0.956 8.429 293 HB3 HIS 34 HB1 HIS 34 -1.405 -1.853 9.866 294 HD1 HIS 34 HD1 HIS 34 -2.017 -0.832 12.164 295 HD2 HIS 34 HD2 HIS 34 -3.335 1.387 8.908 296 HE1 HIS 34 HE1 HIS 34 -3.657 0.830 13.101 297 HE2 HIS 34 HE2 HIS 34 -4.357 2.230 11.128 298 H GLN 35 H GLN 35 0.871 -2.124 10.819 299 HA GLN 35 HA GLN 35 1.037 -0.540 13.204 300 HB2 GLN 35 HB2 GLN 35 0.991 -3.301 12.560 301 HB3 GLN 35 HB1 GLN 35 2.458 -3.000 13.479 302 HG2 GLN 35 HG2 GLN 35 1.124 -3.310 15.245 303 HG3 GLN 35 HG1 GLN 35 0.665 -1.631 14.958 304 HE21 GLN 35 HE21 GLN 35 -1.089 -3.083 16.296 305 HE22 GLN 35 HE22 GLN 35 -2.444 -3.516 15.314 306 H THR 36 H THR 36 3.509 -2.400 11.452 307 HA THR 36 HA THR 36 5.673 -1.167 12.788 308 HB THR 36 HB THR 36 5.798 -3.400 11.737 309 HG1 THR 36 HG1 THR 36 7.883 -3.074 10.832 310 HG21 THR 36 HG21 THR 36 6.559 -2.780 9.119 311 HG22 THR 36 HG22 THR 36 5.000 -1.999 9.378 312 HG23 THR 36 HG23 THR 36 5.173 -3.732 9.649 313 H MET 37 H MET 37 3.979 -0.384 9.816 314 HA MET 37 HA MET 37 4.134 1.392 8.393 315 HB2 MET 37 HB2 MET 37 5.481 2.612 10.806 316 HB3 MET 37 HB1 MET 37 5.054 3.518 9.362 317 HG2 MET 37 HG2 MET 37 2.869 1.962 10.554 318 HG3 MET 37 HG1 MET 37 3.485 3.284 11.543 319 HE1 MET 37 HE1 MET 37 1.258 2.029 9.298 320 HE2 MET 37 HE2 MET 37 0.864 3.176 8.017 321 HE3 MET 37 HE3 MET 37 0.168 3.377 9.625 322 H ASP 38 H ASP 38 5.933 -0.520 7.837 323 HA ASP 38 HA ASP 38 8.357 1.001 7.133 324 HB2 ASP 38 HB2 ASP 38 8.747 -0.761 8.874 325 HB3 ASP 38 HB1 ASP 38 8.248 -1.966 7.692 326 H VAL 39 H VAL 39 7.957 1.522 5.062 327 HA VAL 39 HA VAL 39 6.523 0.049 3.185 328 HB VAL 39 HB VAL 39 8.117 1.353 1.527 329 HG11 VAL 39 HG11 VAL 39 5.796 2.178 3.140 330 HG12 VAL 39 HG12 VAL 39 6.006 2.131 1.388 331 HG13 VAL 39 HG13 VAL 39 6.666 3.475 2.321 332 HG21 VAL 39 HG21 VAL 39 9.620 1.923 3.541 333 HG22 VAL 39 HG22 VAL 39 8.393 3.132 3.916 334 HG23 VAL 39 HG23 VAL 39 9.249 3.194 2.375 335 H ALA 40 H ALA 40 9.839 -0.225 4.203 336 HA ALA 40 HA ALA 40 10.814 -1.713 2.007 337 HB1 ALA 40 HB1 ALA 40 12.722 -2.180 3.365 338 HB2 ALA 40 HB2 ALA 40 11.832 -1.812 4.842 339 HB3 ALA 40 HB3 ALA 40 12.222 -0.524 3.703 340 H VAL 41 H VAL 41 8.912 -2.499 4.785 341 HA VAL 41 HA VAL 41 9.431 -5.309 4.663 342 HB VAL 41 HB VAL 41 7.279 -3.783 6.137 343 HG11 VAL 41 HG11 VAL 41 6.317 -5.832 6.209 344 HG12 VAL 41 HG12 VAL 41 7.499 -6.095 7.491 345 HG13 VAL 41 HG13 VAL 41 7.827 -6.673 5.857 346 HG21 VAL 41 HG21 VAL 41 8.642 -3.879 8.038 347 HG22 VAL 41 HG22 VAL 41 9.745 -3.440 6.734 348 HG23 VAL 41 HG23 VAL 41 9.700 -5.100 7.329 349 H LEU 42 H LEU 42 6.829 -3.140 3.657 350 HA LEU 42 HA LEU 42 5.006 -5.046 2.751 351 HB2 LEU 42 HB2 LEU 42 5.332 -2.214 2.624 352 HB3 LEU 42 HB1 LEU 42 4.914 -2.788 1.022 353 HG LEU 42 HG LEU 42 3.324 -3.496 3.478 354 HD11 LEU 42 HD11 LEU 42 3.500 -0.992 2.921 355 HD12 LEU 42 HD12 LEU 42 1.893 -1.694 3.113 356 HD13 LEU 42 HD13 LEU 42 2.535 -1.390 1.498 357 HD21 LEU 42 HD21 LEU 42 3.256 -4.798 1.212 358 HD22 LEU 42 HD22 LEU 42 2.295 -3.418 0.679 359 HD23 LEU 42 HD23 LEU 42 1.759 -4.390 2.050 360 H VAL 43 H VAL 43 7.645 -3.407 1.030 361 HA VAL 43 HA VAL 43 7.212 -4.481 -1.505 362 HB VAL 43 HB VAL 43 9.920 -3.879 -0.315 363 HG11 VAL 43 HG11 VAL 43 10.036 -3.082 -2.885 364 HG12 VAL 43 HG12 VAL 43 8.901 -4.424 -3.027 365 HG13 VAL 43 HG13 VAL 43 10.502 -4.693 -2.337 366 HG21 VAL 43 HG21 VAL 43 9.263 -1.769 -0.076 367 HG22 VAL 43 HG22 VAL 43 7.688 -2.123 -0.789 368 HG23 VAL 43 HG23 VAL 43 9.048 -1.690 -1.825 369 H GLY 44 H GLY 44 9.146 -5.744 1.194 370 HA2 GLY 44 HA2 GLY 44 10.242 -7.959 -0.121 371 HA3 GLY 44 HA1 GLY 44 9.972 -7.844 1.611 372 H ASP 45 H ASP 45 7.387 -7.899 2.016 373 HA ASP 45 HA ASP 45 6.637 -10.562 1.534 374 HB2 ASP 45 HB2 ASP 45 5.262 -8.153 2.646 375 HB3 ASP 45 HB1 ASP 45 4.295 -9.570 2.249 376 H LEU 46 H LEU 46 5.447 -7.528 0.097 377 HA LEU 46 HA LEU 46 3.504 -8.538 -1.570 378 HB2 LEU 46 HB2 LEU 46 5.293 -6.169 -1.678 379 HB3 LEU 46 HB1 LEU 46 4.446 -6.593 -3.151 380 HG LEU 46 HG LEU 46 3.212 -5.864 -0.497 381 HD11 LEU 46 HD11 LEU 46 2.506 -4.482 -3.002 382 HD12 LEU 46 HD12 LEU 46 4.140 -4.206 -2.398 383 HD13 LEU 46 HD13 LEU 46 2.749 -3.841 -1.377 384 HD21 LEU 46 HD21 LEU 46 1.303 -6.065 -2.612 385 HD22 LEU 46 HD22 LEU 46 1.343 -6.916 -1.068 386 HD23 LEU 46 HD23 LEU 46 2.167 -7.596 -2.469 387 H LYS 47 H LYS 47 6.987 -8.595 -1.972 388 HA LYS 47 HA LYS 47 6.963 -9.443 -4.694 389 HB2 LYS 47 HB2 LYS 47 9.023 -9.374 -2.517 390 HB3 LYS 47 HB1 LYS 47 9.356 -10.252 -4.004 391 HG2 LYS 47 HG2 LYS 47 9.652 -8.378 -5.197 392 HG3 LYS 47 HG1 LYS 47 8.328 -7.534 -4.393 393 HD2 LYS 47 HD2 LYS 47 9.833 -6.377 -3.233 394 HD3 LYS 47 HD1 LYS 47 10.328 -7.878 -2.449 395 HE2 LYS 47 HE2 LYS 47 11.757 -8.218 -4.594 396 HE3 LYS 47 HE1 LYS 47 11.533 -6.481 -4.805 397 HZ1 LYS 47 HZ1 LYS 47 13.424 -6.488 -3.573 398 HZ2 LYS 47 HZ2 LYS 47 13.049 -7.925 -2.764 399 HZ3 LYS 47 HZ3 LYS 47 12.302 -6.478 -2.306 400 H LEU 48 H LEU 48 7.454 -11.149 -1.612 401 HA LEU 48 HA LEU 48 7.771 -13.725 -2.572 402 HB2 LEU 48 HB2 LEU 48 6.452 -12.747 -0.043 403 HB3 LEU 48 HB1 LEU 48 6.790 -14.440 -0.360 404 HG LEU 48 HG LEU 48 9.093 -12.605 -0.619 405 HD11 LEU 48 HD11 LEU 48 7.506 -12.846 1.861 406 HD12 LEU 48 HD12 LEU 48 8.570 -11.550 1.312 407 HD13 LEU 48 HD13 LEU 48 9.255 -13.013 2.019 408 HD21 LEU 48 HD21 LEU 48 9.129 -15.111 -0.858 409 HD22 LEU 48 HD22 LEU 48 8.805 -15.202 0.873 410 HD23 LEU 48 HD23 LEU 48 10.286 -14.440 0.293 411 H VAL 49 H VAL 49 4.919 -11.768 -2.403 412 HA VAL 49 HA VAL 49 3.206 -14.061 -3.058 413 HB VAL 49 HB VAL 49 2.364 -11.224 -2.454 414 HG11 VAL 49 HG11 VAL 49 0.515 -13.445 -1.967 415 HG12 VAL 49 HG12 VAL 49 0.932 -13.200 -3.663 416 HG13 VAL 49 HG13 VAL 49 0.234 -11.879 -2.727 417 HG21 VAL 49 HG21 VAL 49 1.831 -13.295 -0.449 418 HG22 VAL 49 HG22 VAL 49 2.376 -11.631 -0.246 419 HG23 VAL 49 HG23 VAL 49 3.535 -12.894 -0.652 420 H ILE 50 H ILE 50 4.572 -11.137 -4.346 421 HA ILE 50 HA ILE 50 3.021 -11.449 -6.813 422 HB ILE 50 HB ILE 50 4.698 -9.101 -5.920 423 HG12 ILE 50 HG12 ILE 50 1.695 -9.199 -6.123 424 HG13 ILE 50 HG11 ILE 50 2.535 -9.640 -4.640 425 HG21 ILE 50 HG21 ILE 50 4.690 -8.779 -8.163 426 HG22 ILE 50 HG22 ILE 50 3.116 -8.074 -7.793 427 HG23 ILE 50 HG23 ILE 50 3.221 -9.724 -8.407 428 HD11 ILE 50 HD11 ILE 50 3.638 -7.358 -4.779 429 HD12 ILE 50 HD12 ILE 50 1.924 -7.404 -4.367 430 HD13 ILE 50 HD13 ILE 50 2.427 -6.975 -6.002 431 H ASN 51 H ASN 51 5.363 -13.061 -5.961 432 HA ASN 51 HA ASN 51 7.725 -12.486 -7.223 433 HB2 ASN 51 HB2 ASN 51 6.415 -14.859 -6.242 434 HB3 ASN 51 HB1 ASN 51 7.281 -15.226 -7.731 435 HD21 ASN 51 HD21 ASN 51 9.160 -16.087 -7.257 436 HD22 ASN 51 HD22 ASN 51 10.250 -15.549 -6.029 437 H GLU 52 H GLU 52 4.689 -13.379 -8.672 438 HA GLU 52 HA GLU 52 5.952 -13.591 -11.312 439 HB2 GLU 52 HB2 GLU 52 3.260 -14.426 -10.253 440 HB3 GLU 52 HB1 GLU 52 3.578 -14.327 -11.979 441 HG2 GLU 52 HG2 GLU 52 5.635 -15.835 -11.357 442 HG3 GLU 52 HG1 GLU 52 4.640 -16.228 -9.956 443 HA PRO 53 HA PRO 53 4.713 -9.539 -12.552 444 HB2 PRO 53 HB2 PRO 53 3.958 -10.742 -15.154 445 HB3 PRO 53 HB1 PRO 53 5.103 -9.443 -14.805 446 HG2 PRO 53 HG2 PRO 53 5.956 -11.877 -15.487 447 HG3 PRO 53 HG1 PRO 53 6.810 -10.913 -14.267 448 HD2 PRO 53 HD2 PRO 53 4.950 -13.225 -13.897 449 HD3 PRO 53 HD1 PRO 53 6.439 -12.822 -13.017 450 H SER 54 H SER 54 2.561 -12.254 -13.050 451 HA SER 54 HA SER 54 0.258 -10.962 -13.904 452 HB2 SER 54 HB2 SER 54 0.616 -13.404 -12.163 453 HB3 SER 54 HB1 SER 54 -0.956 -12.868 -12.754 454 HG SER 54 HG SER 54 1.267 -13.442 -14.420 455 H ARG 55 H ARG 55 1.554 -11.314 -10.643 456 HA ARG 55 HA ARG 55 -0.750 -9.990 -9.472 457 HB2 ARG 55 HB2 ARG 55 1.795 -11.094 -8.289 458 HB3 ARG 55 HB1 ARG 55 0.568 -10.272 -7.337 459 HG2 ARG 55 HG2 ARG 55 -0.519 -12.181 -7.106 460 HG3 ARG 55 HG1 ARG 55 -0.754 -12.252 -8.854 461 HD2 ARG 55 HD2 ARG 55 1.911 -13.041 -8.345 462 HD3 ARG 55 HD1 ARG 55 0.893 -13.891 -7.184 463 HE ARG 55 HE ARG 55 0.995 -14.296 -10.028 464 HH11 ARG 55 HH11 ARG 55 -0.953 -14.653 -7.155 465 HH12 ARG 55 HH12 ARG 55 -1.915 -15.932 -7.816 466 HH21 ARG 55 HH21 ARG 55 -0.270 -15.978 -10.899 467 HH22 ARG 55 HH22 ARG 55 -1.526 -16.685 -9.939 468 H LEU 56 H LEU 56 1.295 -8.635 -11.331 469 HA LEU 56 HA LEU 56 2.806 -6.778 -9.908 470 HB2 LEU 56 HB2 LEU 56 1.699 -6.938 -12.658 471 HB3 LEU 56 HB1 LEU 56 2.270 -5.372 -12.112 472 HG LEU 56 HG LEU 56 4.023 -7.794 -11.877 473 HD11 LEU 56 HD11 LEU 56 3.134 -7.534 -14.232 474 HD12 LEU 56 HD12 LEU 56 4.888 -7.485 -14.049 475 HD13 LEU 56 HD13 LEU 56 3.983 -5.990 -14.281 476 HD21 LEU 56 HD21 LEU 56 4.326 -5.272 -10.960 477 HD22 LEU 56 HD22 LEU 56 5.070 -5.127 -12.552 478 HD23 LEU 56 HD23 LEU 56 5.667 -6.327 -11.406 479 HA PRO 57 HA PRO 57 -1.226 -3.855 -10.635 480 HB2 PRO 57 HB2 PRO 57 -2.992 -6.087 -9.701 481 HB3 PRO 57 HB1 PRO 57 -3.373 -4.718 -10.756 482 HG2 PRO 57 HG2 PRO 57 -2.921 -7.125 -11.789 483 HG3 PRO 57 HG1 PRO 57 -2.309 -5.666 -12.590 484 HD2 PRO 57 HD2 PRO 57 -0.840 -7.733 -11.044 485 HD3 PRO 57 HD1 PRO 57 -0.282 -6.715 -12.387 486 H LEU 58 H LEU 58 -0.570 -6.294 -8.182 487 HA LEU 58 HA LEU 58 -1.862 -5.187 -5.995 488 HB2 LEU 58 HB2 LEU 58 0.202 -7.132 -6.446 489 HB3 LEU 58 HB1 LEU 58 0.609 -6.156 -5.048 490 HG LEU 58 HG LEU 58 -1.949 -7.713 -5.431 491 HD11 LEU 58 HD11 LEU 58 0.084 -9.068 -4.988 492 HD12 LEU 58 HD12 LEU 58 -1.129 -9.168 -3.714 493 HD13 LEU 58 HD13 LEU 58 0.307 -8.168 -3.487 494 HD21 LEU 58 HD21 LEU 58 -2.796 -6.777 -3.560 495 HD22 LEU 58 HD22 LEU 58 -1.746 -5.436 -4.015 496 HD23 LEU 58 HD23 LEU 58 -1.214 -6.600 -2.801 497 H PHE 59 H PHE 59 1.162 -4.229 -7.499 498 HA PHE 59 HA PHE 59 2.055 -2.522 -5.424 499 HB2 PHE 59 HB2 PHE 59 2.656 -2.291 -8.378 500 HB3 PHE 59 HB1 PHE 59 3.606 -1.625 -7.055 501 HD1 PHE 59 HD1 PHE 59 3.667 -3.908 -5.190 502 HD2 PHE 59 HD2 PHE 59 4.087 -3.782 -9.424 503 HE1 PHE 59 HE1 PHE 59 5.007 -5.969 -5.114 504 HE2 PHE 59 HE2 PHE 59 5.429 -5.843 -9.356 505 HZ PHE 59 HZ PHE 59 5.889 -6.940 -7.199 506 H ASP 60 H ASP 60 0.329 -1.847 -8.461 507 HA ASP 60 HA ASP 60 -0.015 0.928 -7.851 508 HB2 ASP 60 HB2 ASP 60 -0.833 -0.913 -10.032 509 HB3 ASP 60 HB1 ASP 60 -1.829 0.519 -9.796 510 H ALA 61 H ALA 61 -1.765 -1.985 -7.237 511 HA ALA 61 HA ALA 61 -4.318 -0.861 -6.765 512 HB1 ALA 61 HB1 ALA 61 -3.851 -3.263 -7.211 513 HB2 ALA 61 HB2 ALA 61 -4.881 -2.982 -5.806 514 HB3 ALA 61 HB3 ALA 61 -3.180 -3.388 -5.586 515 H ILE 62 H ILE 62 -1.680 -1.787 -4.569 516 HA ILE 62 HA ILE 62 -3.032 -0.867 -2.229 517 HB ILE 62 HB ILE 62 -0.085 -1.428 -2.495 518 HG12 ILE 62 HG12 ILE 62 -2.048 -3.464 -1.519 519 HG13 ILE 62 HG11 ILE 62 -1.838 -3.254 -3.253 520 HG21 ILE 62 HG21 ILE 62 -0.355 -0.483 -0.418 521 HG22 ILE 62 HG22 ILE 62 -0.602 -2.190 -0.049 522 HG23 ILE 62 HG23 ILE 62 -1.989 -1.114 -0.222 523 HD11 ILE 62 HD11 ILE 62 -0.109 -4.621 -3.146 524 HD12 ILE 62 HD12 ILE 62 -0.205 -4.672 -1.386 525 HD13 ILE 62 HD13 ILE 62 0.742 -3.414 -2.182 526 H ARG 63 H ARG 63 -0.626 0.542 -4.378 527 HA ARG 63 HA ARG 63 0.438 2.576 -2.949 528 HB2 ARG 63 HB2 ARG 63 0.242 1.958 -5.636 529 HB3 ARG 63 HB1 ARG 63 -0.481 3.559 -5.537 530 HG2 ARG 63 HG2 ARG 63 1.515 4.445 -4.516 531 HG3 ARG 63 HG1 ARG 63 2.236 2.836 -4.457 532 HD2 ARG 63 HD2 ARG 63 3.034 3.096 -6.512 533 HD3 ARG 63 HD1 ARG 63 1.406 3.367 -7.132 534 HE ARG 63 HE ARG 63 2.063 5.767 -6.085 535 HH11 ARG 63 HH11 ARG 63 3.678 3.633 -8.324 536 HH12 ARG 63 HH12 ARG 63 4.473 4.917 -9.170 537 HH21 ARG 63 HH21 ARG 63 3.106 7.459 -7.198 538 HH22 ARG 63 HH22 ARG 63 4.148 7.089 -8.531 539 HA PRO 64 HA PRO 64 -3.534 5.429 -4.161 540 HB2 PRO 64 HB2 PRO 64 -5.354 3.142 -3.504 541 HB3 PRO 64 HB1 PRO 64 -5.627 4.522 -4.576 542 HG2 PRO 64 HG2 PRO 64 -4.965 2.123 -5.554 543 HG3 PRO 64 HG1 PRO 64 -4.362 3.620 -6.286 544 HD2 PRO 64 HD2 PRO 64 -2.921 1.597 -4.687 545 HD3 PRO 64 HD1 PRO 64 -2.293 2.759 -5.868 546 H LEU 65 H LEU 65 -4.070 2.792 -1.787 547 HA LEU 65 HA LEU 65 -4.978 4.636 0.204 548 HB2 LEU 65 HB2 LEU 65 -4.909 2.660 1.724 549 HB3 LEU 65 HB1 LEU 65 -5.891 2.447 0.289 550 HG LEU 65 HG LEU 65 -3.096 1.490 0.111 551 HD11 LEU 65 HD11 LEU 65 -4.033 0.879 2.431 552 HD12 LEU 65 HD12 LEU 65 -3.347 -0.403 1.433 553 HD13 LEU 65 HD13 LEU 65 -5.097 -0.213 1.545 554 HD21 LEU 65 HD21 LEU 65 -5.732 0.950 -1.055 555 HD22 LEU 65 HD22 LEU 65 -4.758 -0.487 -0.746 556 HD23 LEU 65 HD23 LEU 65 -4.127 0.805 -1.767 557 H ILE 66 H ILE 66 -1.917 3.338 -0.723 558 HA ILE 66 HA ILE 66 -0.523 3.727 1.710 559 HB ILE 66 HB ILE 66 0.388 3.519 -1.155 560 HG12 ILE 66 HG12 ILE 66 0.669 1.689 1.235 561 HG13 ILE 66 HG11 ILE 66 -0.450 1.473 -0.107 562 HG21 ILE 66 HG21 ILE 66 1.901 4.502 1.123 563 HG22 ILE 66 HG22 ILE 66 2.290 4.533 -0.595 564 HG23 ILE 66 HG23 ILE 66 2.646 3.096 0.363 565 HD11 ILE 66 HD11 ILE 66 1.104 0.503 -1.363 566 HD12 ILE 66 HD12 ILE 66 2.061 0.382 0.112 567 HD13 ILE 66 HD13 ILE 66 2.302 1.740 -0.986 568 HA PRO 67 HA PRO 67 -0.321 8.170 2.176 569 HB2 PRO 67 HB2 PRO 67 2.528 7.474 2.771 570 HB3 PRO 67 HB1 PRO 67 1.428 8.548 3.642 571 HG2 PRO 67 HG2 PRO 67 1.941 6.080 4.534 572 HG3 PRO 67 HG1 PRO 67 0.329 6.803 4.685 573 HD2 PRO 67 HD2 PRO 67 1.259 4.636 2.903 574 HD3 PRO 67 HD1 PRO 67 -0.374 4.990 3.493 575 H LEU 68 H LEU 68 0.028 9.732 0.935 576 HA LEU 68 HA LEU 68 0.826 9.577 -1.661 577 HB2 LEU 68 HB2 LEU 68 0.236 11.588 0.343 578 HB3 LEU 68 HB1 LEU 68 1.342 12.176 -0.885 579 HG LEU 68 HG LEU 68 -1.375 10.980 -1.379 580 HD11 LEU 68 HD11 LEU 68 -1.542 13.475 -2.339 581 HD12 LEU 68 HD12 LEU 68 -0.397 13.744 -1.024 582 HD13 LEU 68 HD13 LEU 68 -1.980 13.043 -0.685 583 HD21 LEU 68 HD21 LEU 68 -0.046 12.460 -3.532 584 HD22 LEU 68 HD22 LEU 68 -0.963 10.956 -3.585 585 HD23 LEU 68 HD23 LEU 68 0.733 10.938 -3.103 586 H LYS 69 H LYS 69 2.800 10.527 1.143 587 HA LYS 69 HA LYS 69 5.118 11.133 -0.399 588 HB2 LYS 69 HB2 LYS 69 6.268 10.804 1.912 589 HB3 LYS 69 HB1 LYS 69 5.168 12.155 1.686 590 HG2 LYS 69 HG2 LYS 69 3.838 9.748 2.645 591 HG3 LYS 69 HG1 LYS 69 5.092 10.338 3.736 592 HD2 LYS 69 HD2 LYS 69 3.248 12.358 2.608 593 HD3 LYS 69 HD1 LYS 69 2.567 11.233 3.784 594 HE2 LYS 69 HE2 LYS 69 4.927 13.067 4.164 595 HE3 LYS 69 HE1 LYS 69 3.352 13.181 4.949 596 HZ1 LYS 69 HZ1 LYS 69 4.037 10.745 5.687 597 HZ2 LYS 69 HZ2 LYS 69 4.479 12.115 6.575 598 HZ3 LYS 69 HZ3 LYS 69 5.588 11.398 5.517 599 H HIS 70 H HIS 70 4.048 8.297 1.428 600 HA HIS 70 HA HIS 70 6.364 6.746 0.937 601 HB2 HIS 70 HB2 HIS 70 3.573 6.112 1.842 602 HB3 HIS 70 HB1 HIS 70 4.698 4.813 1.457 603 HD1 HIS 70 HD1 HIS 70 5.118 3.946 3.785 604 HD2 HIS 70 HD2 HIS 70 5.725 8.043 3.460 605 HE1 HIS 70 HE1 HIS 70 6.165 4.645 5.962 606 HE2 HIS 70 HE2 HIS 70 6.598 7.113 5.711 607 H GLN 71 H GLN 71 3.538 7.483 -0.930 608 HA GLN 71 HA GLN 71 3.528 5.294 -2.691 609 HB2 GLN 71 HB2 GLN 71 2.606 8.146 -2.937 610 HB3 GLN 71 HB1 GLN 71 2.518 7.053 -4.310 611 HG2 GLN 71 HG2 GLN 71 1.311 5.512 -2.524 612 HG3 GLN 71 HG1 GLN 71 0.956 7.077 -1.797 613 HE21 GLN 71 HE21 GLN 71 -0.558 8.365 -2.692 614 HE22 GLN 71 HE22 GLN 71 -1.482 7.954 -4.092 615 H VAL 72 H VAL 72 5.079 8.482 -2.962 616 HA VAL 72 HA VAL 72 6.382 8.021 -5.410 617 HB VAL 72 HB VAL 72 7.559 9.727 -3.237 618 HG11 VAL 72 HG11 VAL 72 7.398 10.630 -6.039 619 HG12 VAL 72 HG12 VAL 72 8.438 9.239 -5.728 620 HG13 VAL 72 HG13 VAL 72 8.718 10.758 -4.876 621 HG21 VAL 72 HG21 VAL 72 5.539 10.719 -3.071 622 HG22 VAL 72 HG22 VAL 72 4.973 10.058 -4.605 623 HG23 VAL 72 HG23 VAL 72 6.010 11.485 -4.588 624 H GLU 73 H GLU 73 7.594 7.777 -2.058 625 HA GLU 73 HA GLU 73 10.134 6.780 -2.701 626 HB2 GLU 73 HB2 GLU 73 9.229 7.597 -0.426 627 HB3 GLU 73 HB1 GLU 73 8.620 5.960 -0.227 628 HG2 GLU 73 HG2 GLU 73 11.504 6.550 -0.812 629 HG3 GLU 73 HG1 GLU 73 10.857 6.484 0.826 630 H TYR 74 H TYR 74 7.028 5.215 -2.371 631 HA TYR 74 HA TYR 74 7.904 2.536 -2.362 632 HB2 TYR 74 HB2 TYR 74 5.570 3.285 -1.844 633 HB3 TYR 74 HB1 TYR 74 5.343 3.633 -3.553 634 HD1 TYR 74 HD1 TYR 74 5.725 0.982 -1.044 635 HD2 TYR 74 HD2 TYR 74 5.022 1.849 -5.148 636 HE1 TYR 74 HE1 TYR 74 4.997 -1.340 -1.403 637 HE2 TYR 74 HE2 TYR 74 4.292 -0.469 -5.520 638 HH TYR 74 HH TYR 74 3.239 -2.362 -3.815 639 H ASP 75 H ASP 75 7.398 4.929 -4.857 640 HA ASP 75 HA ASP 75 7.677 3.130 -7.065 641 HB2 ASP 75 HB2 ASP 75 6.515 5.342 -7.198 642 HB3 ASP 75 HB1 ASP 75 8.081 6.130 -7.019 643 H GLN 76 H GLN 76 9.836 5.175 -5.176 644 HA GLN 76 HA GLN 76 12.099 4.946 -6.857 645 HB2 GLN 76 HB2 GLN 76 11.894 5.477 -3.888 646 HB3 GLN 76 HB1 GLN 76 13.376 5.631 -4.823 647 HG2 GLN 76 HG2 GLN 76 11.092 7.116 -5.901 648 HG3 GLN 76 HG1 GLN 76 11.643 7.650 -4.313 649 HE21 GLN 76 HE21 GLN 76 12.310 9.618 -5.255 650 HE22 GLN 76 HE22 GLN 76 13.777 9.722 -6.161 651 H LEU 77 H LEU 77 10.775 2.913 -4.341 652 HA LEU 77 HA LEU 77 13.103 1.240 -4.139 653 HB2 LEU 77 HB2 LEU 77 10.320 1.121 -3.036 654 HB3 LEU 77 HB1 LEU 77 11.384 -0.266 -2.908 655 HG LEU 77 HG LEU 77 12.170 2.452 -1.880 656 HD11 LEU 77 HD11 LEU 77 10.087 1.776 -0.787 657 HD12 LEU 77 HD12 LEU 77 11.452 1.729 0.327 658 HD13 LEU 77 HD13 LEU 77 10.817 0.231 -0.353 659 HD21 LEU 77 HD21 LEU 77 13.126 -0.085 -0.701 660 HD22 LEU 77 HD22 LEU 77 13.980 1.432 -0.981 661 HD23 LEU 77 HD23 LEU 77 13.715 0.310 -2.315 662 H THR 78 H THR 78 10.006 1.118 -5.799 663 HA THR 78 HA THR 78 10.524 -1.532 -6.845 664 HB THR 78 HB THR 78 8.352 -1.389 -7.855 665 HG1 THR 78 HG1 THR 78 8.588 1.375 -7.328 666 HG21 THR 78 HG21 THR 78 7.804 -1.850 -5.708 667 HG22 THR 78 HG22 THR 78 7.001 -0.288 -5.869 668 HG23 THR 78 HG23 THR 78 8.574 -0.394 -5.078 669 HA PRO 79 HA PRO 79 12.554 -0.084 -10.510 670 HB2 PRO 79 HB2 PRO 79 12.344 -2.288 -12.048 671 HB3 PRO 79 HB1 PRO 79 13.409 -2.221 -10.639 672 HG2 PRO 79 HG2 PRO 79 10.679 -3.424 -10.895 673 HG3 PRO 79 HG1 PRO 79 12.118 -4.077 -10.089 674 HD2 PRO 79 HD2 PRO 79 10.087 -2.845 -8.753 675 HD3 PRO 79 HD1 PRO 79 11.770 -2.832 -8.191 676 H ARG 80 H ARG 80 9.342 -1.513 -10.714 677 HA ARG 80 HA ARG 80 8.809 -0.637 -13.376 678 HB2 ARG 80 HB2 ARG 80 7.663 -2.525 -12.040 679 HB3 ARG 80 HB1 ARG 80 6.699 -1.243 -11.321 680 HG2 ARG 80 HG2 ARG 80 6.428 -0.655 -13.945 681 HG3 ARG 80 HG1 ARG 80 6.589 -2.412 -14.012 682 HD2 ARG 80 HD2 ARG 80 4.753 -2.684 -12.473 683 HD3 ARG 80 HD1 ARG 80 4.647 -0.941 -12.235 684 HE ARG 80 HE ARG 80 4.334 -1.498 -14.964 685 HH11 ARG 80 HH11 ARG 80 2.642 -1.938 -11.943 686 HH12 ARG 80 HH12 ARG 80 1.074 -1.916 -12.675 687 HH21 ARG 80 HH21 ARG 80 2.270 -1.470 -15.929 688 HH22 ARG 80 HH22 ARG 80 0.862 -1.651 -14.937 689 H1 ASP 100 H ASP 100 -4.783 12.875 0.560 690 HA ASP 100 HA ASP 100 -6.882 10.954 1.221 691 HB2 ASP 100 HB2 ASP 100 -6.421 9.709 -0.900 692 HB3 ASP 100 HB1 ASP 100 -7.185 11.276 -1.148 693 H ASP 101 H ASP 101 -4.943 11.249 2.932 694 HA ASP 101 HA ASP 101 -3.291 8.868 2.549 695 HB2 ASP 101 HB2 ASP 101 -1.323 10.078 3.518 696 HB3 ASP 101 HB1 ASP 101 -1.793 10.642 1.918 697 H ASP 102 H ASP 102 -2.901 7.716 4.401 698 HA ASP 102 HA ASP 102 -3.206 6.965 6.523 699 HB2 ASP 102 HB2 ASP 102 -2.511 9.767 6.778 700 HB3 ASP 102 HB1 ASP 102 -3.571 9.263 8.091 701 H ARG 103 H ARG 103 -5.447 6.915 5.005 702 HA ARG 103 HA ARG 103 -7.513 7.098 7.011 703 HB2 ARG 103 HB2 ARG 103 -7.463 9.365 5.918 704 HB3 ARG 103 HB1 ARG 103 -7.902 8.578 4.408 705 HG2 ARG 103 HG2 ARG 103 -9.990 9.079 5.047 706 HG3 ARG 103 HG1 ARG 103 -9.834 7.623 6.032 707 HD2 ARG 103 HD2 ARG 103 -8.962 9.104 7.876 708 HD3 ARG 103 HD1 ARG 103 -9.440 10.484 6.888 709 HE ARG 103 HE ARG 103 -11.703 9.013 7.020 710 HH11 ARG 103 HH11 ARG 103 -9.504 10.220 9.446 711 HH12 ARG 103 HH12 ARG 103 -10.728 10.367 10.661 712 HH21 ARG 103 HH21 ARG 103 -13.316 9.207 8.618 713 HH22 ARG 103 HH22 ARG 103 -12.892 9.793 10.193 714 H TYR 104 H TYR 104 -6.784 6.515 3.588 715 HA TYR 104 HA TYR 104 -8.974 4.729 3.200 716 HB2 TYR 104 HB2 TYR 104 -6.476 5.252 1.582 717 HB3 TYR 104 HB1 TYR 104 -7.754 4.157 1.068 718 HD1 TYR 104 HD1 TYR 104 -7.047 7.694 1.932 719 HD2 TYR 104 HD2 TYR 104 -9.686 4.975 0.000 720 HE1 TYR 104 HE1 TYR 104 -8.261 9.588 0.936 721 HE2 TYR 104 HE2 TYR 104 -10.905 6.861 -1.002 722 HH TYR 104 HH TYR 104 -9.711 10.006 -1.051 723 H LEU 105 H LEU 105 -5.641 4.370 4.198 724 HA LEU 105 HA LEU 105 -5.320 1.622 3.762 725 HB2 LEU 105 HB2 LEU 105 -3.691 3.548 4.636 726 HB3 LEU 105 HB1 LEU 105 -4.106 2.840 6.185 727 HG LEU 105 HG LEU 105 -3.457 0.614 4.755 728 HD11 LEU 105 HD11 LEU 105 -1.325 2.545 3.959 729 HD12 LEU 105 HD12 LEU 105 -2.742 2.326 2.932 730 HD13 LEU 105 HD13 LEU 105 -1.702 0.951 3.304 731 HD21 LEU 105 HD21 LEU 105 -2.703 1.420 7.035 732 HD22 LEU 105 HD22 LEU 105 -1.405 2.271 6.198 733 HD23 LEU 105 HD23 LEU 105 -1.518 0.513 6.093 734 H ARG 106 H ARG 106 -6.361 3.336 6.706 735 HA ARG 106 HA ARG 106 -6.881 1.021 8.221 736 HB2 ARG 106 HB2 ARG 106 -7.403 3.902 8.461 737 HB3 ARG 106 HB1 ARG 106 -8.594 2.890 9.264 738 HG2 ARG 106 HG2 ARG 106 -6.750 1.752 10.462 739 HG3 ARG 106 HG1 ARG 106 -5.622 2.893 9.729 740 HD2 ARG 106 HD2 ARG 106 -5.990 4.107 11.580 741 HD3 ARG 106 HD1 ARG 106 -7.479 4.581 10.764 742 HE ARG 106 HE ARG 106 -7.211 2.741 13.000 743 HH11 ARG 106 HH11 ARG 106 -9.292 4.132 10.559 744 HH12 ARG 106 HH12 ARG 106 -10.750 3.673 11.367 745 HH21 ARG 106 HH21 ARG 106 -9.132 2.144 14.060 746 HH22 ARG 106 HH22 ARG 106 -10.661 2.547 13.353 747 H GLU 107 H GLU 107 -8.786 2.813 5.901 748 HA GLU 107 HA GLU 107 -11.333 1.845 6.493 749 HB2 GLU 107 HB2 GLU 107 -10.004 3.006 4.118 750 HB3 GLU 107 HB1 GLU 107 -11.466 2.081 3.804 751 HG2 GLU 107 HG2 GLU 107 -11.193 4.469 5.612 752 HG3 GLU 107 HG1 GLU 107 -12.019 4.402 4.056 753 H ALA 108 H ALA 108 -9.053 0.604 4.041 754 HA ALA 108 HA ALA 108 -10.584 -1.760 3.573 755 HB1 ALA 108 HB1 ALA 108 -9.357 -1.351 1.715 756 HB2 ALA 108 HB2 ALA 108 -8.199 -2.401 2.533 757 HB3 ALA 108 HB3 ALA 108 -8.016 -0.649 2.622 758 H ILE 109 H ILE 109 -7.666 -1.021 5.430 759 HA ILE 109 HA ILE 109 -6.946 -3.604 6.178 760 HB ILE 109 HB ILE 109 -6.586 -0.947 7.549 761 HG12 ILE 109 HG12 ILE 109 -4.594 -2.815 6.250 762 HG13 ILE 109 HG11 ILE 109 -5.352 -1.452 5.434 763 HG21 ILE 109 HG21 ILE 109 -5.562 -3.628 8.466 764 HG22 ILE 109 HG22 ILE 109 -6.628 -2.533 9.346 765 HG23 ILE 109 HG23 ILE 109 -4.951 -2.077 9.044 766 HD11 ILE 109 HD11 ILE 109 -4.145 0.096 6.608 767 HD12 ILE 109 HD12 ILE 109 -2.982 -1.225 6.491 768 HD13 ILE 109 HD13 ILE 109 -3.893 -0.980 7.982 769 H GLN 110 H GLN 110 -8.924 -1.272 8.024 770 HA GLN 110 HA GLN 110 -9.625 -3.118 10.046 771 HB2 GLN 110 HB2 GLN 110 -9.818 -0.455 9.868 772 HB3 GLN 110 HB1 GLN 110 -11.469 -0.867 9.423 773 HG2 GLN 110 HG2 GLN 110 -11.253 -2.390 11.589 774 HG3 GLN 110 HG1 GLN 110 -10.067 -1.157 12.012 775 HE21 GLN 110 HE21 GLN 110 -13.086 -1.987 12.583 776 HE22 GLN 110 HE22 GLN 110 -13.839 -0.441 12.749 777 H GLU 111 H GLU 111 -11.037 -2.318 6.941 778 HA GLU 111 HA GLU 111 -13.569 -3.431 7.253 779 HB2 GLU 111 HB2 GLU 111 -12.895 -2.160 5.259 780 HB3 GLU 111 HB1 GLU 111 -11.815 -3.465 4.788 781 HG2 GLU 111 HG2 GLU 111 -13.529 -4.133 3.526 782 HG3 GLU 111 HG1 GLU 111 -14.161 -4.796 5.031 783 H TYR 112 H TYR 112 -10.505 -4.945 6.388 784 HA TYR 112 HA TYR 112 -11.608 -7.567 6.116 785 HB2 TYR 112 HB2 TYR 112 -9.447 -6.797 5.063 786 HB3 TYR 112 HB1 TYR 112 -8.724 -6.825 6.667 787 HD1 TYR 112 HD2 TYR 112 -10.741 -9.099 4.481 788 HD2 TYR 112 HD1 TYR 112 -7.494 -8.695 7.201 789 HE1 TYR 112 HE2 TYR 112 -10.210 -11.481 4.191 790 HE2 TYR 112 HE1 TYR 112 -6.954 -11.076 6.917 791 HH TYR 112 HH TYR 112 -7.301 -12.862 5.277 792 H ASP 113 H ASP 113 -10.188 -5.670 8.701 793 HA ASP 113 HA ASP 113 -9.821 -7.716 10.586 794 HB2 ASP 113 HB2 ASP 113 -9.167 -5.171 10.648 795 HB3 ASP 113 HB1 ASP 113 -10.742 -4.982 11.414 796 H ASN 114 H ASN 114 -12.648 -6.014 9.473 797 HA ASN 114 HA ASN 114 -14.347 -6.975 11.600 798 HB2 ASN 114 HB2 ASN 114 -14.982 -5.553 9.007 799 HB3 ASN 114 HB1 ASN 114 -16.172 -5.947 10.244 800 HD21 ASN 114 HD21 ASN 114 -15.650 -5.109 12.451 801 HD22 ASN 114 HD22 ASN 114 -14.987 -3.516 12.551 802 H ILE 115 H ILE 115 -13.604 -7.813 8.265 803 HA ILE 115 HA ILE 115 -15.696 -9.693 7.920 804 HB ILE 115 HB ILE 115 -13.022 -9.576 6.520 805 HG12 ILE 115 HG12 ILE 115 -15.552 -8.585 5.296 806 HG13 ILE 115 HG11 ILE 115 -14.776 -7.573 6.510 807 HG21 ILE 115 HG21 ILE 115 -14.050 -10.869 4.769 808 HG22 ILE 115 HG22 ILE 115 -15.594 -10.864 5.623 809 HG23 ILE 115 HG23 ILE 115 -14.216 -11.733 6.299 810 HD11 ILE 115 HD11 ILE 115 -12.863 -8.528 4.580 811 HD12 ILE 115 HD12 ILE 115 -13.261 -6.877 5.054 812 HD13 ILE 115 HD13 ILE 115 -14.201 -7.686 3.800 813 H ALA 116 H ALA 116 -12.416 -9.928 9.161 814 HA ALA 116 HA ALA 116 -11.272 -11.600 10.204 815 HB1 ALA 116 HB1 ALA 116 -12.461 -12.898 11.790 816 HB2 ALA 116 HB2 ALA 116 -13.970 -12.744 10.890 817 HB3 ALA 116 HB3 ALA 116 -13.282 -11.339 11.702 818 H LYS 117 H LYS 117 -11.765 -11.962 7.424 819 HA LYS 117 HA LYS 117 -12.361 -14.792 7.094 820 HB2 LYS 117 HB2 LYS 117 -12.140 -12.442 5.310 821 HB3 LYS 117 HB1 LYS 117 -11.643 -13.981 4.618 822 HG2 LYS 117 HG2 LYS 117 -14.268 -13.728 6.026 823 HG3 LYS 117 HG1 LYS 117 -14.087 -13.206 4.349 824 HD2 LYS 117 HD2 LYS 117 -14.561 -15.337 3.836 825 HD3 LYS 117 HD1 LYS 117 -12.895 -15.668 4.317 826 HE2 LYS 117 HE2 LYS 117 -13.604 -16.250 6.544 827 HE3 LYS 117 HE1 LYS 117 -15.262 -15.772 6.182 828 HZ1 LYS 117 HZ1 LYS 117 -14.095 -17.784 4.437 829 HZ2 LYS 117 HZ2 LYS 117 -15.660 -17.674 5.069 830 HZ3 LYS 117 HZ3 LYS 117 -14.403 -18.274 6.028 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -19.101 6.512 0.510 2 H2 MET 1 HT2 MET 1 -18.639 4.929 0.035 3 H3 MET 1 HT3 MET 1 -19.018 6.107 -1.154 4 HA MET 1 HA MET 1 -16.740 5.983 -1.145 5 HB2 MET 1 HB2 MET 1 -16.107 8.205 -0.346 6 HB3 MET 1 HB1 MET 1 -17.688 8.251 -1.117 7 HG2 MET 1 HG2 MET 1 -18.799 8.412 0.969 8 HG3 MET 1 HG1 MET 1 -17.321 8.044 1.857 9 HE1 MET 1 HE1 MET 1 -18.736 10.632 -0.815 10 HE2 MET 1 HE2 MET 1 -17.070 10.273 -1.266 11 HE3 MET 1 HE3 MET 1 -17.497 11.881 -0.677 12 H ASP 2 H ASP 2 -18.049 6.002 2.115 13 HA ASP 2 HA ASP 2 -15.422 5.324 3.215 14 HB2 ASP 2 HB2 ASP 2 -16.483 5.665 5.417 15 HB3 ASP 2 HB1 ASP 2 -16.655 7.078 4.382 16 H ARG 3 H ARG 3 -16.435 3.353 1.618 17 HA ARG 3 HA ARG 3 -16.400 1.112 3.316 18 HB2 ARG 3 HB2 ARG 3 -19.033 2.236 2.712 19 HB3 ARG 3 HB1 ARG 3 -18.891 0.538 2.280 20 HG2 ARG 3 HG2 ARG 3 -17.797 1.121 4.910 21 HG3 ARG 3 HG1 ARG 3 -19.506 1.536 4.765 22 HD2 ARG 3 HD2 ARG 3 -19.745 -0.801 3.694 23 HD3 ARG 3 HD1 ARG 3 -18.173 -1.126 4.421 24 HE ARG 3 HE ARG 3 -19.784 -0.088 6.424 25 HH11 ARG 3 HH11 ARG 3 -19.739 -2.896 4.348 26 HH12 ARG 3 HH12 ARG 3 -20.556 -3.907 5.492 27 HH21 ARG 3 HH21 ARG 3 -20.857 -1.419 7.928 28 HH22 ARG 3 HH22 ARG 3 -21.191 -3.070 7.523 29 H LYS 4 H LYS 4 -17.444 2.399 0.196 30 HA LYS 4 HA LYS 4 -17.175 -0.033 -1.236 31 HB2 LYS 4 HB2 LYS 4 -17.274 2.857 -2.076 32 HB3 LYS 4 HB1 LYS 4 -17.049 1.564 -3.246 33 HG2 LYS 4 HG2 LYS 4 -19.230 0.761 -1.721 34 HG3 LYS 4 HG1 LYS 4 -19.461 2.493 -1.966 35 HD2 LYS 4 HD2 LYS 4 -20.516 1.451 -3.799 36 HD3 LYS 4 HD1 LYS 4 -18.980 2.057 -4.423 37 HE2 LYS 4 HE2 LYS 4 -18.852 -0.039 -5.272 38 HE3 LYS 4 HE1 LYS 4 -18.200 -0.386 -3.672 39 HZ1 LYS 4 HZ1 LYS 4 -20.543 -1.392 -4.884 40 HZ2 LYS 4 HZ2 LYS 4 -20.957 -0.575 -3.463 41 HZ3 LYS 4 HZ3 LYS 4 -19.833 -1.838 -3.416 42 H VAL 5 H VAL 5 -14.939 2.521 -0.383 43 HA VAL 5 HA VAL 5 -12.877 2.057 -2.174 44 HB VAL 5 HB VAL 5 -12.533 2.694 0.763 45 HG11 VAL 5 HG11 VAL 5 -10.594 2.095 -1.052 46 HG12 VAL 5 HG12 VAL 5 -10.367 3.120 0.364 47 HG13 VAL 5 HG13 VAL 5 -10.697 3.849 -1.207 48 HG21 VAL 5 HG21 VAL 5 -12.430 4.879 -1.192 49 HG22 VAL 5 HG22 VAL 5 -13.170 4.819 0.408 50 HG23 VAL 5 HG23 VAL 5 -14.022 4.150 -0.983 51 H ALA 6 H ALA 6 -13.719 0.349 0.789 52 HA ALA 6 HA ALA 6 -11.459 -1.395 0.750 53 HB1 ALA 6 HB1 ALA 6 -12.822 -2.700 2.427 54 HB2 ALA 6 HB2 ALA 6 -14.072 -1.470 2.240 55 HB3 ALA 6 HB3 ALA 6 -12.480 -1.023 2.855 56 H ARG 7 H ARG 7 -14.738 -1.516 -0.508 57 HA ARG 7 HA ARG 7 -14.750 -4.272 -1.167 58 HB2 ARG 7 HB2 ARG 7 -16.625 -2.287 -1.166 59 HB3 ARG 7 HB1 ARG 7 -16.337 -2.485 -2.890 60 HG2 ARG 7 HG2 ARG 7 -17.003 -4.748 -2.842 61 HG3 ARG 7 HG1 ARG 7 -16.958 -4.799 -1.078 62 HD2 ARG 7 HD2 ARG 7 -19.072 -4.122 -0.958 63 HD3 ARG 7 HD1 ARG 7 -18.719 -2.708 -1.948 64 HE ARG 7 HE ARG 7 -19.611 -3.789 -3.760 65 HH11 ARG 7 HH11 ARG 7 -19.074 -6.104 -1.206 66 HH12 ARG 7 HH12 ARG 7 -19.921 -7.380 -2.013 67 HH21 ARG 7 HH21 ARG 7 -20.726 -5.467 -4.825 68 HH22 ARG 7 HH22 ARG 7 -20.858 -7.019 -4.068 69 H GLU 8 H GLU 8 -13.798 -1.374 -2.930 70 HA GLU 8 HA GLU 8 -13.328 -2.723 -5.395 71 HB2 GLU 8 HB2 GLU 8 -13.299 -0.041 -4.463 72 HB3 GLU 8 HB1 GLU 8 -11.729 -0.357 -5.186 73 HG2 GLU 8 HG2 GLU 8 -13.833 -1.400 -6.844 74 HG3 GLU 8 HG1 GLU 8 -14.104 0.306 -6.489 75 H PHE 9 H PHE 9 -11.185 -1.542 -2.812 76 HA PHE 9 HA PHE 9 -8.779 -2.444 -3.936 77 HB2 PHE 9 HB2 PHE 9 -8.830 -0.863 -2.071 78 HB3 PHE 9 HB1 PHE 9 -9.521 -2.096 -1.021 79 HD1 PHE 9 HD1 PHE 9 -6.526 -1.404 -3.120 80 HD2 PHE 9 HD2 PHE 9 -8.127 -3.402 0.279 81 HE1 PHE 9 HE1 PHE 9 -4.260 -2.116 -2.474 82 HE2 PHE 9 HE2 PHE 9 -5.865 -4.116 0.931 83 HZ PHE 9 HZ PHE 9 -3.928 -3.472 -0.447 84 H ARG 10 H ARG 10 -11.068 -4.014 -1.739 85 HA ARG 10 HA ARG 10 -9.538 -6.400 -1.455 86 HB2 ARG 10 HB2 ARG 10 -11.424 -5.470 0.066 87 HB3 ARG 10 HB1 ARG 10 -12.513 -6.266 -1.063 88 HG2 ARG 10 HG2 ARG 10 -10.262 -7.749 0.246 89 HG3 ARG 10 HG1 ARG 10 -11.819 -7.532 1.047 90 HD2 ARG 10 HD2 ARG 10 -11.263 -8.931 -1.559 91 HD3 ARG 10 HD1 ARG 10 -11.872 -9.639 -0.064 92 HE ARG 10 HE ARG 10 -13.387 -8.237 -2.066 93 HH11 ARG 10 HH11 ARG 10 -13.273 -9.205 1.285 94 HH12 ARG 10 HH12 ARG 10 -14.988 -9.116 1.499 95 HH21 ARG 10 HH21 ARG 10 -15.643 -8.118 -1.785 96 HH22 ARG 10 HH22 ARG 10 -16.336 -8.498 -0.244 97 H HIS 11 H HIS 11 -12.345 -5.492 -3.443 98 HA HIS 11 HA HIS 11 -12.764 -7.981 -4.648 99 HB2 HIS 11 HB2 HIS 11 -14.361 -6.124 -4.829 100 HB3 HIS 11 HB1 HIS 11 -13.219 -5.230 -5.824 101 HD1 HIS 11 HD1 HIS 11 -15.169 -5.232 -7.639 102 HD2 HIS 11 HD2 HIS 11 -13.498 -8.938 -6.777 103 HE1 HIS 11 HE1 HIS 11 -15.881 -6.745 -9.518 104 HE2 HIS 11 HE2 HIS 11 -14.782 -8.958 -9.022 105 H LYS 12 H LYS 12 -10.696 -5.276 -5.653 106 HA LYS 12 HA LYS 12 -9.798 -6.375 -8.067 107 HB2 LYS 12 HB2 LYS 12 -9.227 -4.090 -6.496 108 HB3 LYS 12 HB1 LYS 12 -7.690 -4.882 -6.806 109 HG2 LYS 12 HG2 LYS 12 -9.520 -4.539 -9.107 110 HG3 LYS 12 HG1 LYS 12 -8.742 -3.093 -8.460 111 HD2 LYS 12 HD2 LYS 12 -6.559 -4.075 -8.772 112 HD3 LYS 12 HD1 LYS 12 -7.282 -5.604 -9.277 113 HE2 LYS 12 HE2 LYS 12 -6.566 -4.438 -11.238 114 HE3 LYS 12 HE1 LYS 12 -8.327 -4.399 -11.190 115 HZ1 LYS 12 HZ1 LYS 12 -7.968 -2.141 -10.039 116 HZ2 LYS 12 HZ2 LYS 12 -7.769 -2.238 -11.716 117 HZ3 LYS 12 HZ3 LYS 12 -6.413 -2.212 -10.705 118 H VAL 13 H VAL 13 -8.260 -6.436 -4.852 119 HA VAL 13 HA VAL 13 -6.069 -8.011 -5.470 120 HB VAL 13 HB VAL 13 -7.617 -8.110 -2.878 121 HG11 VAL 13 HG11 VAL 13 -5.478 -8.720 -1.880 122 HG12 VAL 13 HG12 VAL 13 -4.712 -8.673 -3.469 123 HG13 VAL 13 HG13 VAL 13 -5.948 -9.884 -3.121 124 HG21 VAL 13 HG21 VAL 13 -5.239 -6.413 -3.000 125 HG22 VAL 13 HG22 VAL 13 -6.825 -6.098 -2.295 126 HG23 VAL 13 HG23 VAL 13 -6.564 -5.857 -4.022 127 H ASP 14 H ASP 14 -9.378 -8.953 -4.734 128 HA ASP 14 HA ASP 14 -8.831 -11.754 -4.625 129 HB2 ASP 14 HB2 ASP 14 -10.798 -10.706 -3.526 130 HB3 ASP 14 HB1 ASP 14 -11.468 -10.348 -5.114 131 H PHE 15 H PHE 15 -9.586 -9.482 -7.163 132 HA PHE 15 HA PHE 15 -10.378 -11.391 -9.117 133 HB2 PHE 15 HB2 PHE 15 -10.197 -8.577 -8.942 134 HB3 PHE 15 HB1 PHE 15 -9.188 -9.053 -10.304 135 HD1 PHE 15 HD2 PHE 15 -10.468 -11.146 -11.638 136 HD2 PHE 15 HD1 PHE 15 -12.270 -7.875 -9.597 137 HE1 PHE 15 HE2 PHE 15 -12.475 -11.381 -13.042 138 HE2 PHE 15 HE1 PHE 15 -14.281 -8.105 -10.998 139 HZ PHE 15 HZ PHE 15 -14.384 -9.858 -12.724 140 H LEU 16 H LEU 16 -7.343 -10.154 -7.986 141 HA LEU 16 HA LEU 16 -5.844 -11.257 -10.205 142 HB2 LEU 16 HB2 LEU 16 -4.560 -10.250 -7.707 143 HB3 LEU 16 HB1 LEU 16 -4.005 -10.137 -9.367 144 HG LEU 16 HG LEU 16 -6.482 -8.640 -8.753 145 HD11 LEU 16 HD11 LEU 16 -5.651 -7.098 -7.329 146 HD12 LEU 16 HD12 LEU 16 -4.004 -7.254 -7.944 147 HD13 LEU 16 HD13 LEU 16 -4.642 -8.451 -6.815 148 HD21 LEU 16 HD21 LEU 16 -5.146 -6.917 -10.070 149 HD22 LEU 16 HD22 LEU 16 -5.614 -8.388 -10.921 150 HD23 LEU 16 HD23 LEU 16 -3.962 -8.198 -10.331 151 H ILE 17 H ILE 17 -6.000 -11.793 -6.698 152 HA ILE 17 HA ILE 17 -4.359 -14.128 -6.792 153 HB ILE 17 HB ILE 17 -6.219 -13.373 -4.559 154 HG12 ILE 17 HG12 ILE 17 -4.830 -11.436 -5.157 155 HG13 ILE 17 HG11 ILE 17 -4.387 -12.096 -3.587 156 HG21 ILE 17 HG21 ILE 17 -5.000 -14.783 -3.225 157 HG22 ILE 17 HG22 ILE 17 -3.549 -14.645 -4.219 158 HG23 ILE 17 HG23 ILE 17 -4.905 -15.630 -4.769 159 HD11 ILE 17 HD11 ILE 17 -2.774 -11.709 -5.922 160 HD12 ILE 17 HD12 ILE 17 -2.755 -13.403 -5.433 161 HD13 ILE 17 HD13 ILE 17 -2.292 -12.147 -4.284 162 H GLU 18 H GLU 18 -7.787 -13.667 -6.051 163 HA GLU 18 HA GLU 18 -9.564 -15.002 -6.260 164 HB2 GLU 18 HB2 GLU 18 -7.945 -16.712 -8.103 165 HB3 GLU 18 HB1 GLU 18 -9.688 -16.483 -8.091 166 HG2 GLU 18 HG2 GLU 18 -9.108 -14.018 -8.622 167 HG3 GLU 18 HG1 GLU 18 -7.549 -14.678 -9.113 168 H ASN 19 H ASN 19 -6.888 -15.723 -4.795 169 HA ASN 19 HA ASN 19 -7.699 -18.420 -3.953 170 HB2 ASN 19 HB2 ASN 19 -5.251 -17.640 -4.804 171 HB3 ASN 19 HB1 ASN 19 -5.078 -17.368 -3.073 172 HD21 ASN 19 HD21 ASN 19 -3.867 -19.353 -4.907 173 HD22 ASN 19 HD22 ASN 19 -4.207 -20.891 -4.196 174 H ASP 20 H ASP 20 -6.554 -18.661 -1.532 175 HA ASP 20 HA ASP 20 -7.783 -16.526 0.070 176 HB2 ASP 20 HB2 ASP 20 -7.702 -19.482 0.700 177 HB3 ASP 20 HB1 ASP 20 -8.379 -18.234 1.740 178 H ALA 21 H ALA 21 -5.347 -19.112 0.100 179 HA ALA 21 HA ALA 21 -4.024 -18.359 2.437 180 HB1 ALA 21 HB1 ALA 21 -2.009 -19.481 1.242 181 HB2 ALA 21 HB2 ALA 21 -3.198 -19.882 0.004 182 HB3 ALA 21 HB3 ALA 21 -3.422 -20.450 1.657 183 H GLU 22 H GLU 22 -3.549 -17.319 -0.901 184 HA GLU 22 HA GLU 22 -1.268 -15.716 -0.410 185 HB2 GLU 22 HB2 GLU 22 -3.224 -16.032 -2.629 186 HB3 GLU 22 HB1 GLU 22 -2.279 -14.549 -2.597 187 HG2 GLU 22 HG2 GLU 22 -0.550 -15.599 -3.479 188 HG3 GLU 22 HG1 GLU 22 -0.531 -16.745 -2.140 189 H LYS 23 H LYS 23 -4.731 -14.947 -0.643 190 HA LYS 23 HA LYS 23 -4.446 -12.173 -0.171 191 HB2 LYS 23 HB2 LYS 23 -6.506 -13.657 -0.978 192 HB3 LYS 23 HB1 LYS 23 -6.903 -13.602 0.733 193 HG2 LYS 23 HG2 LYS 23 -6.719 -11.093 0.575 194 HG3 LYS 23 HG1 LYS 23 -6.637 -11.298 -1.176 195 HD2 LYS 23 HD2 LYS 23 -8.879 -12.312 0.569 196 HD3 LYS 23 HD1 LYS 23 -8.923 -10.807 -0.351 197 HE2 LYS 23 HE2 LYS 23 -9.668 -11.949 -2.103 198 HE3 LYS 23 HE1 LYS 23 -8.131 -12.811 -2.155 199 HZ1 LYS 23 HZ1 LYS 23 -10.716 -13.688 -1.168 200 HZ2 LYS 23 HZ2 LYS 23 -9.386 -14.150 -0.231 201 HZ3 LYS 23 HZ3 LYS 23 -9.461 -14.583 -1.865 202 H ASP 24 H ASP 24 -4.607 -14.958 1.916 203 HA ASP 24 HA ASP 24 -5.180 -13.643 4.337 204 HB2 ASP 24 HB2 ASP 24 -4.976 -16.219 3.701 205 HB3 ASP 24 HB1 ASP 24 -3.342 -15.997 4.321 206 H TYR 25 H TYR 25 -2.094 -14.534 2.805 207 HA TYR 25 HA TYR 25 -0.479 -13.328 4.800 208 HB2 TYR 25 HB2 TYR 25 0.374 -15.069 3.266 209 HB3 TYR 25 HB1 TYR 25 0.203 -13.952 1.915 210 HD1 TYR 25 HD1 TYR 25 1.826 -14.072 5.285 211 HD2 TYR 25 HD2 TYR 25 2.096 -12.835 1.223 212 HE1 TYR 25 HE1 TYR 25 4.100 -13.234 5.698 213 HE2 TYR 25 HE2 TYR 25 4.372 -11.994 1.625 214 HH TYR 25 HH TYR 25 5.687 -11.681 4.781 215 H LEU 26 H LEU 26 -1.574 -12.202 1.600 216 HA LEU 26 HA LEU 26 -0.253 -9.730 1.668 217 HB2 LEU 26 HB2 LEU 26 -1.302 -10.508 -0.376 218 HB3 LEU 26 HB1 LEU 26 -2.881 -10.503 0.387 219 HG LEU 26 HG LEU 26 -2.873 -8.085 0.506 220 HD11 LEU 26 HD11 LEU 26 -0.029 -8.442 -0.211 221 HD12 LEU 26 HD12 LEU 26 -0.800 -7.239 0.823 222 HD13 LEU 26 HD13 LEU 26 -0.861 -7.064 -0.930 223 HD21 LEU 26 HD21 LEU 26 -3.464 -9.383 -1.639 224 HD22 LEU 26 HD22 LEU 26 -1.955 -8.727 -2.272 225 HD23 LEU 26 HD23 LEU 26 -3.238 -7.637 -1.746 226 H TYR 27 H TYR 27 -3.358 -10.790 2.942 227 HA TYR 27 HA TYR 27 -4.214 -8.284 3.920 228 HB2 TYR 27 HB2 TYR 27 -4.964 -11.101 4.322 229 HB3 TYR 27 HB1 TYR 27 -5.226 -10.090 5.738 230 HD1 TYR 27 HD1 TYR 27 -6.352 -7.715 5.094 231 HD2 TYR 27 HD2 TYR 27 -6.755 -11.333 2.894 232 HE1 TYR 27 HE1 TYR 27 -8.453 -6.883 4.126 233 HE2 TYR 27 HE2 TYR 27 -8.857 -10.512 1.917 234 HH TYR 27 HH TYR 27 -9.877 -7.247 2.231 235 H ASP 28 H ASP 28 -2.028 -10.760 5.111 236 HA ASP 28 HA ASP 28 -1.716 -9.649 7.723 237 HB2 ASP 28 HB2 ASP 28 -1.028 -12.031 6.535 238 HB3 ASP 28 HB1 ASP 28 0.531 -11.227 6.679 239 H VAL 29 H VAL 29 -0.144 -9.213 4.602 240 HA VAL 29 HA VAL 29 2.127 -7.813 5.563 241 HB VAL 29 HB VAL 29 0.810 -7.564 2.851 242 HG11 VAL 29 HG11 VAL 29 2.342 -5.775 3.131 243 HG12 VAL 29 HG12 VAL 29 3.164 -6.990 2.151 244 HG13 VAL 29 HG13 VAL 29 3.548 -6.831 3.864 245 HG21 VAL 29 HG21 VAL 29 1.280 -9.811 2.924 246 HG22 VAL 29 HG22 VAL 29 2.646 -9.602 4.019 247 HG23 VAL 29 HG23 VAL 29 2.809 -9.176 2.316 248 H LEU 30 H LEU 30 -0.974 -6.682 4.230 249 HA LEU 30 HA LEU 30 -0.429 -3.931 4.534 250 HB2 LEU 30 HB2 LEU 30 -3.008 -5.481 4.352 251 HB3 LEU 30 HB1 LEU 30 -2.967 -3.731 4.466 252 HG LEU 30 HG LEU 30 -1.567 -5.255 2.275 253 HD11 LEU 30 HD11 LEU 30 -3.433 -4.906 0.859 254 HD12 LEU 30 HD12 LEU 30 -4.253 -3.920 2.069 255 HD13 LEU 30 HD13 LEU 30 -4.051 -5.652 2.333 256 HD21 LEU 30 HD21 LEU 30 -0.716 -3.032 2.597 257 HD22 LEU 30 HD22 LEU 30 -2.350 -2.367 2.629 258 HD23 LEU 30 HD23 LEU 30 -1.705 -3.054 1.138 259 H ARG 31 H ARG 31 -1.765 -6.365 6.674 260 HA ARG 31 HA ARG 31 -2.673 -4.589 8.693 261 HB2 ARG 31 HB2 ARG 31 -2.549 -7.430 8.278 262 HB3 ARG 31 HB1 ARG 31 -1.966 -7.052 9.892 263 HG2 ARG 31 HG2 ARG 31 -3.991 -6.279 10.599 264 HG3 ARG 31 HG1 ARG 31 -4.486 -5.771 8.983 265 HD2 ARG 31 HD2 ARG 31 -5.825 -7.645 9.570 266 HD3 ARG 31 HD1 ARG 31 -4.654 -8.198 8.375 267 HE ARG 31 HE ARG 31 -3.440 -8.769 10.716 268 HH11 ARG 31 HH11 ARG 31 -6.623 -9.468 9.464 269 HH12 ARG 31 HH12 ARG 31 -6.783 -10.947 10.350 270 HH21 ARG 31 HH21 ARG 31 -3.650 -10.714 11.882 271 HH22 ARG 31 HH22 ARG 31 -5.095 -11.655 11.723 272 H MET 32 H MET 32 0.335 -6.438 8.267 273 HA MET 32 HA MET 32 1.503 -5.493 10.691 274 HB2 MET 32 HB2 MET 32 3.528 -6.560 9.947 275 HB3 MET 32 HB1 MET 32 2.171 -7.612 9.571 276 HG2 MET 32 HG2 MET 32 2.550 -7.521 7.379 277 HG3 MET 32 HG1 MET 32 2.892 -5.795 7.404 278 HE1 MET 32 HE1 MET 32 5.046 -4.829 8.439 279 HE2 MET 32 HE2 MET 32 6.612 -5.640 8.429 280 HE3 MET 32 HE3 MET 32 5.460 -5.965 9.724 281 H TYR 33 H TYR 33 1.353 -4.341 7.418 282 HA TYR 33 HA TYR 33 3.517 -2.516 7.542 283 HB2 TYR 33 HB2 TYR 33 2.731 -3.123 5.383 284 HB3 TYR 33 HB1 TYR 33 1.071 -2.702 5.785 285 HD1 TYR 33 HD1 TYR 33 4.057 -0.624 6.493 286 HD2 TYR 33 HD2 TYR 33 0.623 -1.169 4.040 287 HE1 TYR 33 HE1 TYR 33 4.396 1.614 5.531 288 HE2 TYR 33 HE2 TYR 33 0.952 1.066 3.071 289 HH TYR 33 HH TYR 33 2.040 3.190 3.670 290 H HIS 34 H HIS 34 0.080 -2.267 8.293 291 HA HIS 34 HA HIS 34 0.026 0.529 8.702 292 HB2 HIS 34 HB2 HIS 34 -2.010 -0.792 8.346 293 HB3 HIS 34 HB1 HIS 34 -1.749 -1.622 9.878 294 HD1 HIS 34 HD1 HIS 34 -1.752 0.087 12.038 295 HD2 HIS 34 HD2 HIS 34 -3.591 1.396 8.550 296 HE1 HIS 34 HE1 HIS 34 -3.259 1.971 12.741 297 HE2 HIS 34 HE2 HIS 34 -4.295 2.807 10.601 298 H GLN 35 H GLN 35 0.928 -2.162 10.735 299 HA GLN 35 HA GLN 35 0.925 -0.649 13.174 300 HB2 GLN 35 HB2 GLN 35 1.715 -3.406 12.372 301 HB3 GLN 35 HB1 GLN 35 2.363 -2.760 13.873 302 HG2 GLN 35 HG2 GLN 35 0.342 -2.763 14.914 303 HG3 GLN 35 HG1 GLN 35 -0.555 -2.523 13.415 304 HE21 GLN 35 HE21 GLN 35 -1.805 -4.182 12.988 305 HE22 GLN 35 HE22 GLN 35 -1.423 -5.847 13.249 306 H THR 36 H THR 36 3.562 -2.215 11.380 307 HA THR 36 HA THR 36 5.576 -0.729 12.746 308 HB THR 36 HB THR 36 6.122 -2.921 11.943 309 HG1 THR 36 HG1 THR 36 7.979 -2.432 10.732 310 HG21 THR 36 HG21 THR 36 6.400 -2.707 9.185 311 HG22 THR 36 HG22 THR 36 4.788 -2.088 9.539 312 HG23 THR 36 HG23 THR 36 5.249 -3.705 10.072 313 H MET 37 H MET 37 3.775 -0.253 9.806 314 HA MET 37 HA MET 37 3.682 1.482 8.333 315 HB2 MET 37 HB2 MET 37 4.206 2.650 10.783 316 HB3 MET 37 HB1 MET 37 5.465 3.315 9.749 317 HG2 MET 37 HG2 MET 37 3.805 4.855 9.464 318 HG3 MET 37 HG1 MET 37 3.485 3.767 8.115 319 HE1 MET 37 HE1 MET 37 1.602 2.373 7.769 320 HE2 MET 37 HE2 MET 37 0.806 3.945 7.674 321 HE3 MET 37 HE3 MET 37 0.039 2.619 8.551 322 H ASP 38 H ASP 38 5.772 -0.511 8.163 323 HA ASP 38 HA ASP 38 8.019 1.001 7.040 324 HB2 ASP 38 HB2 ASP 38 8.027 -1.196 8.654 325 HB3 ASP 38 HB1 ASP 38 8.164 -1.941 7.066 326 H VAL 39 H VAL 39 7.492 1.616 5.028 327 HA VAL 39 HA VAL 39 5.889 0.158 3.228 328 HB VAL 39 HB VAL 39 7.187 1.674 1.507 329 HG11 VAL 39 HG11 VAL 39 4.862 1.940 3.069 330 HG12 VAL 39 HG12 VAL 39 5.230 2.716 1.528 331 HG13 VAL 39 HG13 VAL 39 5.641 3.522 3.042 332 HG21 VAL 39 HG21 VAL 39 8.876 2.244 3.358 333 HG22 VAL 39 HG22 VAL 39 7.621 3.322 3.968 334 HG23 VAL 39 HG23 VAL 39 8.270 3.555 2.345 335 H ALA 40 H ALA 40 9.306 0.117 3.895 336 HA ALA 40 HA ALA 40 10.121 -1.204 1.520 337 HB1 ALA 40 HB1 ALA 40 12.242 -1.382 2.506 338 HB2 ALA 40 HB2 ALA 40 11.580 -1.351 4.141 339 HB3 ALA 40 HB3 ALA 40 11.572 0.115 3.158 340 H VAL 41 H VAL 41 8.766 -2.241 4.540 341 HA VAL 41 HA VAL 41 9.544 -4.975 4.224 342 HB VAL 41 HB VAL 41 7.516 -3.742 6.089 343 HG11 VAL 41 HG11 VAL 41 6.833 -5.899 6.222 344 HG12 VAL 41 HG12 VAL 41 8.217 -6.020 7.309 345 HG13 VAL 41 HG13 VAL 41 8.366 -6.536 5.629 346 HG21 VAL 41 HG21 VAL 41 10.162 -4.809 6.948 347 HG22 VAL 41 HG22 VAL 41 9.168 -3.543 7.670 348 HG23 VAL 41 HG23 VAL 41 10.085 -3.214 6.200 349 H LEU 42 H LEU 42 6.509 -3.156 3.880 350 HA LEU 42 HA LEU 42 4.891 -5.313 3.130 351 HB2 LEU 42 HB2 LEU 42 3.266 -3.760 2.587 352 HB3 LEU 42 HB1 LEU 42 4.245 -2.892 3.753 353 HG LEU 42 HG LEU 42 5.458 -1.994 1.589 354 HD11 LEU 42 HD11 LEU 42 3.366 -1.622 -0.031 355 HD12 LEU 42 HD12 LEU 42 2.965 -3.224 0.588 356 HD13 LEU 42 HD13 LEU 42 4.506 -2.952 -0.226 357 HD21 LEU 42 HD21 LEU 42 4.303 -0.027 1.876 358 HD22 LEU 42 HD22 LEU 42 3.936 -0.857 3.388 359 HD23 LEU 42 HD23 LEU 42 2.752 -0.842 2.082 360 H VAL 43 H VAL 43 6.985 -3.209 1.224 361 HA VAL 43 HA VAL 43 6.161 -4.093 -1.325 362 HB VAL 43 HB VAL 43 8.878 -3.049 -0.502 363 HG11 VAL 43 HG11 VAL 43 7.582 -3.166 -3.223 364 HG12 VAL 43 HG12 VAL 43 8.903 -4.193 -2.669 365 HG13 VAL 43 HG13 VAL 43 9.153 -2.457 -2.849 366 HG21 VAL 43 HG21 VAL 43 6.982 -1.303 -1.919 367 HG22 VAL 43 HG22 VAL 43 8.092 -0.942 -0.596 368 HG23 VAL 43 HG23 VAL 43 6.541 -1.712 -0.262 369 H GLY 44 H GLY 44 8.623 -5.256 0.931 370 HA2 GLY 44 HA2 GLY 44 9.860 -7.142 -0.732 371 HA3 GLY 44 HA1 GLY 44 9.782 -7.237 1.022 372 H ASP 45 H ASP 45 7.219 -7.629 1.615 373 HA ASP 45 HA ASP 45 6.779 -10.335 1.033 374 HB2 ASP 45 HB2 ASP 45 4.751 -8.291 1.968 375 HB3 ASP 45 HB1 ASP 45 4.598 -10.040 2.106 376 H LEU 46 H LEU 46 5.297 -7.399 -0.301 377 HA LEU 46 HA LEU 46 3.402 -8.533 -1.960 378 HB2 LEU 46 HB2 LEU 46 4.953 -6.011 -1.970 379 HB3 LEU 46 HB1 LEU 46 4.196 -6.459 -3.486 380 HG LEU 46 HG LEU 46 2.738 -6.132 -0.862 381 HD11 LEU 46 HD11 LEU 46 3.775 -4.103 -2.277 382 HD12 LEU 46 HD12 LEU 46 2.248 -3.994 -1.400 383 HD13 LEU 46 HD13 LEU 46 2.247 -4.314 -3.136 384 HD21 LEU 46 HD21 LEU 46 1.671 -7.740 -2.358 385 HD22 LEU 46 HD22 LEU 46 1.707 -6.557 -3.665 386 HD23 LEU 46 HD23 LEU 46 0.720 -6.262 -2.233 387 H LYS 47 H LYS 47 6.870 -8.192 -2.441 388 HA LYS 47 HA LYS 47 6.892 -8.980 -5.166 389 HB2 LYS 47 HB2 LYS 47 8.966 -8.824 -3.005 390 HB3 LYS 47 HB1 LYS 47 9.351 -9.595 -4.536 391 HG2 LYS 47 HG2 LYS 47 9.470 -7.647 -5.636 392 HG3 LYS 47 HG1 LYS 47 8.084 -6.965 -4.784 393 HD2 LYS 47 HD2 LYS 47 9.366 -6.066 -3.138 394 HD3 LYS 47 HD1 LYS 47 10.556 -7.365 -3.207 395 HE2 LYS 47 HE2 LYS 47 10.268 -5.291 -5.367 396 HE3 LYS 47 HE1 LYS 47 11.339 -5.085 -3.981 397 HZ1 LYS 47 HZ1 LYS 47 11.594 -7.576 -5.466 398 HZ2 LYS 47 HZ2 LYS 47 12.788 -6.610 -4.759 399 HZ3 LYS 47 HZ3 LYS 47 12.125 -6.175 -6.254 400 H LEU 48 H LEU 48 7.544 -10.750 -2.153 401 HA LEU 48 HA LEU 48 8.080 -13.247 -3.236 402 HB2 LEU 48 HB2 LEU 48 6.744 -12.517 -0.634 403 HB3 LEU 48 HB1 LEU 48 7.259 -14.143 -1.036 404 HG LEU 48 HG LEU 48 9.152 -11.799 -0.941 405 HD11 LEU 48 HD11 LEU 48 8.059 -13.496 1.218 406 HD12 LEU 48 HD12 LEU 48 8.670 -11.842 1.269 407 HD13 LEU 48 HD13 LEU 48 9.796 -13.199 1.241 408 HD21 LEU 48 HD21 LEU 48 9.714 -14.751 -0.750 409 HD22 LEU 48 HD22 LEU 48 10.873 -13.437 -0.953 410 HD23 LEU 48 HD23 LEU 48 9.764 -13.846 -2.264 411 H VAL 49 H VAL 49 5.041 -11.588 -2.908 412 HA VAL 49 HA VAL 49 3.568 -14.036 -3.589 413 HB VAL 49 HB VAL 49 2.435 -11.335 -2.853 414 HG11 VAL 49 HG11 VAL 49 0.628 -12.327 -3.776 415 HG12 VAL 49 HG12 VAL 49 0.537 -13.126 -2.205 416 HG13 VAL 49 HG13 VAL 49 1.283 -13.952 -3.574 417 HG21 VAL 49 HG21 VAL 49 2.223 -13.528 -0.915 418 HG22 VAL 49 HG22 VAL 49 2.571 -11.817 -0.663 419 HG23 VAL 49 HG23 VAL 49 3.859 -12.916 -1.156 420 H ILE 50 H ILE 50 4.514 -10.938 -4.841 421 HA ILE 50 HA ILE 50 2.961 -11.427 -7.289 422 HB ILE 50 HB ILE 50 4.050 -8.849 -6.153 423 HG12 ILE 50 HG12 ILE 50 1.372 -8.508 -6.631 424 HG13 ILE 50 HG11 ILE 50 1.441 -10.200 -6.152 425 HG21 ILE 50 HG21 ILE 50 2.542 -8.000 -8.182 426 HG22 ILE 50 HG22 ILE 50 3.116 -9.516 -8.875 427 HG23 ILE 50 HG23 ILE 50 4.271 -8.298 -8.335 428 HD11 ILE 50 HD11 ILE 50 1.027 -8.480 -4.335 429 HD12 ILE 50 HD12 ILE 50 2.724 -8.041 -4.521 430 HD13 ILE 50 HD13 ILE 50 2.284 -9.679 -4.037 431 H ASN 51 H ASN 51 5.559 -12.608 -6.539 432 HA ASN 51 HA ASN 51 7.767 -11.514 -7.746 433 HB2 ASN 51 HB2 ASN 51 7.332 -13.841 -6.520 434 HB3 ASN 51 HB1 ASN 51 7.302 -14.426 -8.181 435 HD21 ASN 51 HD21 ASN 51 9.228 -12.382 -6.019 436 HD22 ASN 51 HD22 ASN 51 10.763 -12.878 -6.638 437 H GLU 52 H GLU 52 4.958 -12.896 -9.263 438 HA GLU 52 HA GLU 52 6.232 -12.880 -11.888 439 HB2 GLU 52 HB2 GLU 52 3.438 -13.721 -11.091 440 HB3 GLU 52 HB1 GLU 52 4.162 -13.929 -12.680 441 HG2 GLU 52 HG2 GLU 52 5.882 -15.386 -11.654 442 HG3 GLU 52 HG1 GLU 52 5.028 -15.245 -10.118 443 HA PRO 53 HA PRO 53 4.827 -8.824 -12.971 444 HB2 PRO 53 HB2 PRO 53 4.384 -9.985 -15.672 445 HB3 PRO 53 HB1 PRO 53 5.345 -8.582 -15.193 446 HG2 PRO 53 HG2 PRO 53 6.521 -10.872 -15.876 447 HG3 PRO 53 HG1 PRO 53 7.158 -9.876 -14.555 448 HD2 PRO 53 HD2 PRO 53 5.565 -12.401 -14.431 449 HD3 PRO 53 HD1 PRO 53 6.903 -11.857 -13.398 450 H SER 54 H SER 54 2.956 -11.685 -13.680 451 HA SER 54 HA SER 54 0.617 -10.557 -14.676 452 HB2 SER 54 HB2 SER 54 -0.462 -12.604 -14.115 453 HB3 SER 54 HB1 SER 54 1.208 -13.024 -14.497 454 HG SER 54 HG SER 54 1.497 -13.648 -12.508 455 H ARG 55 H ARG 55 1.744 -10.874 -11.358 456 HA ARG 55 HA ARG 55 -0.747 -9.835 -10.291 457 HB2 ARG 55 HB2 ARG 55 1.774 -10.923 -9.117 458 HB3 ARG 55 HB1 ARG 55 0.728 -9.924 -8.117 459 HG2 ARG 55 HG2 ARG 55 -0.910 -11.490 -8.014 460 HG3 ARG 55 HG1 ARG 55 -0.538 -12.146 -9.611 461 HD2 ARG 55 HD2 ARG 55 1.657 -12.949 -8.501 462 HD3 ARG 55 HD1 ARG 55 0.794 -12.688 -6.988 463 HE ARG 55 HE ARG 55 0.066 -14.627 -9.072 464 HH11 ARG 55 HH11 ARG 55 -0.279 -13.419 -5.808 465 HH12 ARG 55 HH12 ARG 55 -1.165 -14.802 -5.264 466 HH21 ARG 55 HH21 ARG 55 -1.097 -16.439 -8.346 467 HH22 ARG 55 HH22 ARG 55 -1.627 -16.513 -6.700 468 H LEU 56 H LEU 56 1.451 -8.300 -11.950 469 HA LEU 56 HA LEU 56 2.658 -6.321 -10.514 470 HB2 LEU 56 HB2 LEU 56 1.573 -6.536 -13.246 471 HB3 LEU 56 HB1 LEU 56 1.834 -4.901 -12.670 472 HG LEU 56 HG LEU 56 3.928 -7.070 -12.809 473 HD11 LEU 56 HD11 LEU 56 4.885 -5.797 -14.609 474 HD12 LEU 56 HD12 LEU 56 3.646 -4.553 -14.441 475 HD13 LEU 56 HD13 LEU 56 3.206 -6.168 -14.999 476 HD21 LEU 56 HD21 LEU 56 5.412 -4.990 -12.402 477 HD22 LEU 56 HD22 LEU 56 4.607 -5.751 -11.029 478 HD23 LEU 56 HD23 LEU 56 3.944 -4.277 -11.736 479 HA PRO 57 HA PRO 57 -1.635 -3.730 -11.032 480 HB2 PRO 57 HB2 PRO 57 -3.157 -6.176 -10.208 481 HB3 PRO 57 HB1 PRO 57 -3.698 -4.787 -11.160 482 HG2 PRO 57 HG2 PRO 57 -3.034 -7.069 -12.359 483 HG3 PRO 57 HG1 PRO 57 -2.601 -5.505 -13.075 484 HD2 PRO 57 HD2 PRO 57 -0.880 -7.509 -11.731 485 HD3 PRO 57 HD1 PRO 57 -0.466 -6.324 -12.985 486 H LEU 58 H LEU 58 -0.750 -6.255 -8.740 487 HA LEU 58 HA LEU 58 -2.070 -5.277 -6.477 488 HB2 LEU 58 HB2 LEU 58 -0.350 -7.372 -7.041 489 HB3 LEU 58 HB1 LEU 58 0.543 -6.409 -5.880 490 HG LEU 58 HG LEU 58 -0.816 -8.244 -4.874 491 HD11 LEU 58 HD11 LEU 58 -2.042 -5.791 -3.798 492 HD12 LEU 58 HD12 LEU 58 -0.282 -5.796 -3.904 493 HD13 LEU 58 HD13 LEU 58 -1.114 -7.051 -2.986 494 HD21 LEU 58 HD21 LEU 58 -3.159 -8.186 -4.840 495 HD22 LEU 58 HD22 LEU 58 -2.719 -7.898 -6.523 496 HD23 LEU 58 HD23 LEU 58 -3.214 -6.551 -5.498 497 H PHE 59 H PHE 59 0.990 -4.341 -7.926 498 HA PHE 59 HA PHE 59 1.843 -2.712 -5.749 499 HB2 PHE 59 HB2 PHE 59 2.686 -2.967 -8.624 500 HB3 PHE 59 HB1 PHE 59 3.358 -1.709 -7.590 501 HD1 PHE 59 HD1 PHE 59 2.549 -5.310 -7.037 502 HD2 PHE 59 HD2 PHE 59 5.503 -2.245 -6.984 503 HE1 PHE 59 HE1 PHE 59 4.193 -6.914 -6.159 504 HE2 PHE 59 HE2 PHE 59 7.152 -3.846 -6.107 505 HZ PHE 59 HZ PHE 59 6.497 -6.184 -5.694 506 H ASP 60 H ASP 60 0.248 -2.029 -8.844 507 HA ASP 60 HA ASP 60 0.080 0.787 -8.358 508 HB2 ASP 60 HB2 ASP 60 0.051 -0.496 -10.628 509 HB3 ASP 60 HB1 ASP 60 -1.673 -0.674 -10.313 510 H ALA 61 H ALA 61 -1.857 -1.981 -7.633 511 HA ALA 61 HA ALA 61 -4.338 -0.683 -7.231 512 HB1 ALA 61 HB1 ALA 61 -4.222 -3.065 -7.564 513 HB2 ALA 61 HB2 ALA 61 -4.933 -2.733 -5.984 514 HB3 ALA 61 HB3 ALA 61 -3.253 -3.258 -6.103 515 H ILE 62 H ILE 62 -1.755 -1.636 -4.987 516 HA ILE 62 HA ILE 62 -3.052 -0.519 -2.696 517 HB ILE 62 HB ILE 62 -0.132 -1.231 -2.930 518 HG12 ILE 62 HG12 ILE 62 -2.257 -3.104 -1.925 519 HG13 ILE 62 HG11 ILE 62 -1.862 -3.039 -3.638 520 HG21 ILE 62 HG21 ILE 62 -0.006 -0.911 -0.725 521 HG22 ILE 62 HG22 ILE 62 -1.517 -1.772 -0.431 522 HG23 ILE 62 HG23 ILE 62 -1.546 -0.065 -0.873 523 HD11 ILE 62 HD11 ILE 62 -0.703 -4.761 -2.058 524 HD12 ILE 62 HD12 ILE 62 0.335 -3.390 -1.668 525 HD13 ILE 62 HD13 ILE 62 0.211 -3.955 -3.332 526 H ARG 63 H ARG 63 -0.613 0.604 -4.954 527 HA ARG 63 HA ARG 63 0.599 2.665 -3.708 528 HB2 ARG 63 HB2 ARG 63 0.331 1.852 -6.319 529 HB3 ARG 63 HB1 ARG 63 -0.347 3.474 -6.355 530 HG2 ARG 63 HG2 ARG 63 1.686 4.402 -5.470 531 HG3 ARG 63 HG1 ARG 63 2.365 2.788 -5.240 532 HD2 ARG 63 HD2 ARG 63 1.693 4.132 -7.854 533 HD3 ARG 63 HD1 ARG 63 3.298 3.742 -7.237 534 HE ARG 63 HE ARG 63 1.960 1.346 -7.357 535 HH11 ARG 63 HH11 ARG 63 2.822 3.853 -9.627 536 HH12 ARG 63 HH12 ARG 63 2.931 2.769 -10.973 537 HH21 ARG 63 HH21 ARG 63 2.103 -0.080 -9.126 538 HH22 ARG 63 HH22 ARG 63 2.523 0.537 -10.689 539 HA PRO 64 HA PRO 64 -3.083 5.753 -4.840 540 HB2 PRO 64 HB2 PRO 64 -5.526 4.436 -4.513 541 HB3 PRO 64 HB1 PRO 64 -4.806 4.927 -6.049 542 HG2 PRO 64 HG2 PRO 64 -4.766 2.271 -4.698 543 HG3 PRO 64 HG1 PRO 64 -4.892 2.653 -6.425 544 HD2 PRO 64 HD2 PRO 64 -2.601 1.776 -5.378 545 HD3 PRO 64 HD1 PRO 64 -2.605 3.030 -6.633 546 H LEU 65 H LEU 65 -4.129 3.081 -2.680 547 HA LEU 65 HA LEU 65 -5.003 4.921 -0.672 548 HB2 LEU 65 HB2 LEU 65 -5.120 2.798 0.751 549 HB3 LEU 65 HB1 LEU 65 -6.180 2.921 -0.639 550 HG LEU 65 HG LEU 65 -3.598 1.584 -1.134 551 HD11 LEU 65 HD11 LEU 65 -3.840 -0.230 0.175 552 HD12 LEU 65 HD12 LEU 65 -5.603 -0.168 0.119 553 HD13 LEU 65 HD13 LEU 65 -4.717 0.896 1.211 554 HD21 LEU 65 HD21 LEU 65 -6.283 0.468 -1.758 555 HD22 LEU 65 HD22 LEU 65 -4.794 0.420 -2.701 556 HD23 LEU 65 HD23 LEU 65 -5.740 1.905 -2.624 557 H ILE 66 H ILE 66 -1.955 3.933 -1.581 558 HA ILE 66 HA ILE 66 -0.786 3.900 1.067 559 HB ILE 66 HB ILE 66 0.297 3.577 -1.714 560 HG12 ILE 66 HG12 ILE 66 0.496 1.897 0.793 561 HG13 ILE 66 HG11 ILE 66 -0.632 1.630 -0.531 562 HG21 ILE 66 HG21 ILE 66 1.959 4.025 0.760 563 HG22 ILE 66 HG22 ILE 66 1.921 5.026 -0.691 564 HG23 ILE 66 HG23 ILE 66 2.577 3.392 -0.765 565 HD11 ILE 66 HD11 ILE 66 0.959 0.755 -1.891 566 HD12 ILE 66 HD12 ILE 66 1.642 0.306 -0.329 567 HD13 ILE 66 HD13 ILE 66 2.255 1.722 -1.185 568 HA PRO 67 HA PRO 67 -0.225 8.285 1.678 569 HB2 PRO 67 HB2 PRO 67 2.507 7.343 2.467 570 HB3 PRO 67 HB1 PRO 67 1.428 8.480 3.287 571 HG2 PRO 67 HG2 PRO 67 1.664 5.973 4.153 572 HG3 PRO 67 HG1 PRO 67 0.095 6.796 4.159 573 HD2 PRO 67 HD2 PRO 67 1.088 4.638 2.384 574 HD3 PRO 67 HD1 PRO 67 -0.571 5.024 2.874 575 H LEU 68 H LEU 68 0.332 9.837 0.499 576 HA LEU 68 HA LEU 68 1.342 9.662 -2.023 577 HB2 LEU 68 HB2 LEU 68 0.728 11.682 -0.035 578 HB3 LEU 68 HB1 LEU 68 1.974 12.204 -1.153 579 HG LEU 68 HG LEU 68 -0.774 11.222 -1.895 580 HD11 LEU 68 HD11 LEU 68 -1.005 13.611 -2.707 581 HD12 LEU 68 HD12 LEU 68 0.439 13.969 -1.760 582 HD13 LEU 68 HD13 LEU 68 -1.015 13.372 -0.961 583 HD21 LEU 68 HD21 LEU 68 -0.182 11.199 -4.060 584 HD22 LEU 68 HD22 LEU 68 1.461 11.045 -3.440 585 HD23 LEU 68 HD23 LEU 68 0.838 12.629 -3.900 586 H LYS 69 H LYS 69 3.103 10.392 0.974 587 HA LYS 69 HA LYS 69 5.609 10.823 -0.330 588 HB2 LYS 69 HB2 LYS 69 5.251 10.019 2.554 589 HB3 LYS 69 HB1 LYS 69 6.548 10.971 1.847 590 HG2 LYS 69 HG2 LYS 69 4.676 12.661 1.279 591 HG3 LYS 69 HG1 LYS 69 3.751 11.786 2.500 592 HD2 LYS 69 HD2 LYS 69 6.520 12.772 3.083 593 HD3 LYS 69 HD1 LYS 69 5.128 13.848 3.223 594 HE2 LYS 69 HE2 LYS 69 4.509 12.934 5.159 595 HE3 LYS 69 HE1 LYS 69 4.651 11.300 4.514 596 HZ1 LYS 69 HZ1 LYS 69 7.145 11.643 4.830 597 HZ2 LYS 69 HZ2 LYS 69 6.209 11.386 6.217 598 HZ3 LYS 69 HZ3 LYS 69 6.723 12.949 5.821 599 H HIS 70 H HIS 70 4.057 8.118 1.313 600 HA HIS 70 HA HIS 70 6.238 6.327 1.157 601 HB2 HIS 70 HB2 HIS 70 3.263 5.835 1.402 602 HB3 HIS 70 HB1 HIS 70 4.480 4.568 1.527 603 HD1 HIS 70 HD1 HIS 70 3.807 4.084 3.980 604 HD2 HIS 70 HD2 HIS 70 5.181 7.948 3.320 605 HE1 HIS 70 HE1 HIS 70 4.230 5.046 6.264 606 HE2 HIS 70 HE2 HIS 70 4.983 7.413 5.843 607 H GLN 71 H GLN 71 3.806 7.333 -1.110 608 HA GLN 71 HA GLN 71 3.886 5.170 -2.899 609 HB2 GLN 71 HB2 GLN 71 3.266 8.096 -3.240 610 HB3 GLN 71 HB1 GLN 71 3.250 6.996 -4.611 611 HG2 GLN 71 HG2 GLN 71 1.671 5.594 -3.049 612 HG3 GLN 71 HG1 GLN 71 1.408 7.160 -2.285 613 HE21 GLN 71 HE21 GLN 71 -0.683 7.420 -2.926 614 HE22 GLN 71 HE22 GLN 71 -1.157 7.643 -4.574 615 H VAL 72 H VAL 72 5.722 8.214 -2.862 616 HA VAL 72 HA VAL 72 7.323 7.671 -5.108 617 HB VAL 72 HB VAL 72 8.296 9.252 -2.748 618 HG11 VAL 72 HG11 VAL 72 9.779 10.189 -4.168 619 HG12 VAL 72 HG12 VAL 72 8.647 10.185 -5.520 620 HG13 VAL 72 HG13 VAL 72 9.506 8.708 -5.086 621 HG21 VAL 72 HG21 VAL 72 7.134 11.156 -4.249 622 HG22 VAL 72 HG22 VAL 72 6.336 10.378 -2.882 623 HG23 VAL 72 HG23 VAL 72 6.010 9.827 -4.526 624 H GLU 73 H GLU 73 8.056 7.321 -1.628 625 HA GLU 73 HA GLU 73 10.560 6.113 -1.932 626 HB2 GLU 73 HB2 GLU 73 9.102 6.900 0.207 627 HB3 GLU 73 HB1 GLU 73 8.874 5.161 0.315 628 HG2 GLU 73 HG2 GLU 73 11.627 6.228 -0.045 629 HG3 GLU 73 HG1 GLU 73 10.860 6.347 1.537 630 H TYR 74 H TYR 74 7.318 4.787 -2.007 631 HA TYR 74 HA TYR 74 7.975 2.054 -1.955 632 HB2 TYR 74 HB2 TYR 74 5.664 2.893 -1.704 633 HB3 TYR 74 HB1 TYR 74 5.679 3.428 -3.379 634 HD1 TYR 74 HD1 TYR 74 5.838 1.698 -5.205 635 HD2 TYR 74 HD2 TYR 74 5.129 0.667 -1.139 636 HE1 TYR 74 HE1 TYR 74 4.990 -0.499 -5.916 637 HE2 TYR 74 HE2 TYR 74 4.282 -1.533 -1.838 638 HH TYR 74 HH TYR 74 3.149 -2.375 -4.283 639 H ASP 75 H ASP 75 7.989 4.497 -4.449 640 HA ASP 75 HA ASP 75 8.417 2.700 -6.637 641 HB2 ASP 75 HB2 ASP 75 7.695 5.328 -6.447 642 HB3 ASP 75 HB1 ASP 75 9.385 5.470 -6.928 643 H GLN 76 H GLN 76 10.451 4.526 -4.423 644 HA GLN 76 HA GLN 76 12.899 4.158 -5.789 645 HB2 GLN 76 HB2 GLN 76 12.489 4.505 -2.816 646 HB3 GLN 76 HB1 GLN 76 13.960 4.836 -3.720 647 HG2 GLN 76 HG2 GLN 76 11.346 6.302 -3.993 648 HG3 GLN 76 HG1 GLN 76 12.787 6.885 -3.161 649 HE21 GLN 76 HE21 GLN 76 11.353 6.156 -6.251 650 HE22 GLN 76 HE22 GLN 76 12.493 7.030 -7.211 651 H LEU 77 H LEU 77 11.111 2.196 -3.504 652 HA LEU 77 HA LEU 77 13.240 0.335 -3.041 653 HB2 LEU 77 HB2 LEU 77 10.297 -0.119 -2.580 654 HB3 LEU 77 HB1 LEU 77 11.636 -0.948 -1.810 655 HG LEU 77 HG LEU 77 11.497 1.987 -1.418 656 HD11 LEU 77 HD11 LEU 77 9.148 0.665 -1.137 657 HD12 LEU 77 HD12 LEU 77 9.617 2.080 -0.196 658 HD13 LEU 77 HD13 LEU 77 9.846 0.465 0.471 659 HD21 LEU 77 HD21 LEU 77 12.594 1.529 0.544 660 HD22 LEU 77 HD22 LEU 77 13.152 0.192 -0.463 661 HD23 LEU 77 HD23 LEU 77 11.861 -0.067 0.711 662 H THR 78 H THR 78 10.368 0.420 -5.087 663 HA THR 78 HA THR 78 10.550 -2.198 -6.092 664 HB THR 78 HB THR 78 9.260 -1.138 -8.078 665 HG1 THR 78 HG1 THR 78 9.530 0.966 -7.979 666 HG21 THR 78 HG21 THR 78 7.571 -1.978 -6.930 667 HG22 THR 78 HG22 THR 78 7.452 -0.440 -6.076 668 HG23 THR 78 HG23 THR 78 8.424 -1.749 -5.405 669 HA PRO 79 HA PRO 79 14.239 -1.407 -8.577 670 HB2 PRO 79 HB2 PRO 79 14.796 -3.980 -9.138 671 HB3 PRO 79 HB1 PRO 79 15.134 -3.273 -7.553 672 HG2 PRO 79 HG2 PRO 79 12.834 -4.986 -8.411 673 HG3 PRO 79 HG1 PRO 79 13.794 -5.068 -6.922 674 HD2 PRO 79 HD2 PRO 79 11.342 -3.878 -7.065 675 HD3 PRO 79 HD1 PRO 79 12.601 -3.384 -5.917 676 H ARG 80 H ARG 80 14.882 -1.899 -10.807 677 HA ARG 80 HA ARG 80 13.262 -3.227 -12.660 678 HB2 ARG 80 HB2 ARG 80 12.373 -1.165 -13.856 679 HB3 ARG 80 HB1 ARG 80 11.554 -1.624 -12.371 680 HG2 ARG 80 HG2 ARG 80 11.784 0.506 -11.777 681 HG3 ARG 80 HG1 ARG 80 13.475 0.109 -11.472 682 HD2 ARG 80 HD2 ARG 80 14.184 1.322 -13.214 683 HD3 ARG 80 HD1 ARG 80 12.923 0.692 -14.275 684 HE ARG 80 HE ARG 80 12.899 3.173 -12.851 685 HH11 ARG 80 HH11 ARG 80 10.874 0.654 -14.168 686 HH12 ARG 80 HH12 ARG 80 9.493 1.682 -14.341 687 HH21 ARG 80 HH21 ARG 80 11.082 4.527 -13.076 688 HH22 ARG 80 HH22 ARG 80 9.609 3.881 -13.722 689 H1 ASP 100 H ASP 100 -2.319 13.151 3.362 690 HA ASP 100 HA ASP 100 -4.756 12.901 4.912 691 HB2 ASP 100 HB2 ASP 100 -4.664 15.093 3.384 692 HB3 ASP 100 HB1 ASP 100 -5.173 13.941 2.154 693 H ASP 101 H ASP 101 -3.024 10.909 4.231 694 HA ASP 101 HA ASP 101 -4.639 9.354 2.349 695 HB2 ASP 101 HB2 ASP 101 -1.772 10.021 2.123 696 HB3 ASP 101 HB1 ASP 101 -2.199 8.341 1.806 697 H ASP 102 H ASP 102 -4.188 9.532 5.290 698 HA ASP 102 HA ASP 102 -3.249 6.801 5.825 699 HB2 ASP 102 HB2 ASP 102 -3.310 9.309 7.438 700 HB3 ASP 102 HB1 ASP 102 -3.462 7.775 8.290 701 H ARG 103 H ARG 103 -5.883 7.484 4.727 702 HA ARG 103 HA ARG 103 -7.570 6.467 6.919 703 HB2 ARG 103 HB2 ARG 103 -7.997 8.836 5.899 704 HB3 ARG 103 HB1 ARG 103 -8.702 7.936 4.563 705 HG2 ARG 103 HG2 ARG 103 -10.572 8.219 5.796 706 HG3 ARG 103 HG1 ARG 103 -9.985 6.743 6.567 707 HD2 ARG 103 HD2 ARG 103 -9.552 7.789 8.505 708 HD3 ARG 103 HD1 ARG 103 -8.875 9.203 7.700 709 HE ARG 103 HE ARG 103 -10.920 10.229 7.843 710 HH11 ARG 103 HH11 ARG 103 -11.303 6.827 8.522 711 HH12 ARG 103 HH12 ARG 103 -12.948 6.989 9.037 712 HH21 ARG 103 HH21 ARG 103 -13.082 10.442 8.521 713 HH22 ARG 103 HH22 ARG 103 -13.959 9.040 9.038 714 H TYR 104 H TYR 104 -6.872 6.336 3.464 715 HA TYR 104 HA TYR 104 -8.759 4.459 2.670 716 HB2 TYR 104 HB2 TYR 104 -5.956 4.967 1.668 717 HB3 TYR 104 HB1 TYR 104 -7.081 3.872 0.871 718 HD1 TYR 104 HD2 TYR 104 -9.503 5.012 0.482 719 HD2 TYR 104 HD1 TYR 104 -5.803 7.087 0.792 720 HE1 TYR 104 HE2 TYR 104 -10.466 6.901 -0.765 721 HE2 TYR 104 HE1 TYR 104 -6.755 8.982 -0.454 722 HH TYR 104 HH TYR 104 -9.603 9.735 -0.767 723 H LEU 105 H LEU 105 -5.442 3.902 3.842 724 HA LEU 105 HA LEU 105 -5.473 1.112 3.673 725 HB2 LEU 105 HB2 LEU 105 -3.632 2.982 4.398 726 HB3 LEU 105 HB1 LEU 105 -3.993 2.252 5.950 727 HG LEU 105 HG LEU 105 -3.603 0.011 4.555 728 HD11 LEU 105 HD11 LEU 105 -1.828 0.259 2.943 729 HD12 LEU 105 HD12 LEU 105 -1.795 2.005 3.197 730 HD13 LEU 105 HD13 LEU 105 -3.205 1.248 2.454 731 HD21 LEU 105 HD21 LEU 105 -1.736 -0.209 5.806 732 HD22 LEU 105 HD22 LEU 105 -2.321 1.280 6.547 733 HD23 LEU 105 HD23 LEU 105 -1.079 1.346 5.297 734 H ARG 106 H ARG 106 -6.168 3.203 6.472 735 HA ARG 106 HA ARG 106 -6.859 1.142 8.246 736 HB2 ARG 106 HB2 ARG 106 -6.463 3.756 8.568 737 HB3 ARG 106 HB1 ARG 106 -8.220 3.783 8.470 738 HG2 ARG 106 HG2 ARG 106 -8.135 1.944 10.268 739 HG3 ARG 106 HG1 ARG 106 -6.468 2.471 10.511 740 HD2 ARG 106 HD2 ARG 106 -7.126 4.259 11.661 741 HD3 ARG 106 HD1 ARG 106 -8.258 4.731 10.394 742 HE ARG 106 HE ARG 106 -8.866 3.345 12.832 743 HH11 ARG 106 HH11 ARG 106 -9.893 3.909 9.546 744 HH12 ARG 106 HH12 ARG 106 -11.553 3.541 9.868 745 HH21 ARG 106 HH21 ARG 106 -11.049 2.858 13.260 746 HH22 ARG 106 HH22 ARG 106 -12.210 2.944 11.977 747 H GLU 107 H GLU 107 -8.691 2.827 5.788 748 HA GLU 107 HA GLU 107 -11.283 2.140 6.583 749 HB2 GLU 107 HB2 GLU 107 -10.044 3.339 4.319 750 HB3 GLU 107 HB1 GLU 107 -11.127 2.088 3.730 751 HG2 GLU 107 HG2 GLU 107 -12.541 3.875 3.797 752 HG3 GLU 107 HG1 GLU 107 -12.816 3.187 5.396 753 H ALA 108 H ALA 108 -9.235 0.518 4.146 754 HA ALA 108 HA ALA 108 -10.967 -1.744 3.957 755 HB1 ALA 108 HB1 ALA 108 -9.660 -2.393 2.234 756 HB2 ALA 108 HB2 ALA 108 -8.162 -2.051 3.098 757 HB3 ALA 108 HB3 ALA 108 -9.063 -0.737 2.341 758 H ILE 109 H ILE 109 -7.880 -1.112 5.568 759 HA ILE 109 HA ILE 109 -7.368 -3.681 6.532 760 HB ILE 109 HB ILE 109 -6.637 -0.972 7.642 761 HG12 ILE 109 HG12 ILE 109 -4.953 -3.069 6.264 762 HG13 ILE 109 HG11 ILE 109 -5.686 -1.697 5.443 763 HG21 ILE 109 HG21 ILE 109 -4.971 -2.149 9.042 764 HG22 ILE 109 HG22 ILE 109 -5.722 -3.680 8.594 765 HG23 ILE 109 HG23 ILE 109 -6.637 -2.486 9.513 766 HD11 ILE 109 HD11 ILE 109 -3.903 -1.245 7.790 767 HD12 ILE 109 HD12 ILE 109 -4.261 -0.181 6.428 768 HD13 ILE 109 HD13 ILE 109 -3.213 -1.582 6.202 769 H GLN 110 H GLN 110 -8.932 -0.959 8.234 770 HA GLN 110 HA GLN 110 -9.677 -2.510 10.483 771 HB2 GLN 110 HB2 GLN 110 -9.502 0.082 10.201 772 HB3 GLN 110 HB1 GLN 110 -11.171 -0.042 9.661 773 HG2 GLN 110 HG2 GLN 110 -11.351 0.431 11.922 774 HG3 GLN 110 HG1 GLN 110 -11.581 -1.315 11.843 775 HE21 GLN 110 HE21 GLN 110 -9.025 1.106 12.261 776 HE22 GLN 110 HE22 GLN 110 -8.126 0.207 13.431 777 H GLU 111 H GLU 111 -11.236 -1.787 7.427 778 HA GLU 111 HA GLU 111 -13.841 -2.561 8.025 779 HB2 GLU 111 HB2 GLU 111 -12.195 -2.393 5.572 780 HB3 GLU 111 HB1 GLU 111 -13.585 -3.468 5.477 781 HG2 GLU 111 HG2 GLU 111 -14.250 -0.910 6.673 782 HG3 GLU 111 HG1 GLU 111 -13.580 -0.745 5.050 783 H TYR 112 H TYR 112 -11.068 -4.482 6.995 784 HA TYR 112 HA TYR 112 -12.424 -6.975 7.029 785 HB2 TYR 112 HB2 TYR 112 -10.014 -6.176 6.080 786 HB3 TYR 112 HB1 TYR 112 -9.512 -6.954 7.577 787 HD1 TYR 112 HD1 TYR 112 -12.275 -7.875 5.256 788 HD2 TYR 112 HD2 TYR 112 -8.500 -8.943 6.902 789 HE1 TYR 112 HE1 TYR 112 -12.426 -10.071 4.159 790 HE2 TYR 112 HE2 TYR 112 -8.640 -11.142 5.809 791 HH TYR 112 HH TYR 112 -11.389 -12.442 4.635 792 H ASP 113 H ASP 113 -10.637 -5.094 9.406 793 HA ASP 113 HA ASP 113 -10.409 -7.048 11.405 794 HB2 ASP 113 HB2 ASP 113 -10.725 -4.046 11.629 795 HB3 ASP 113 HB1 ASP 113 -10.331 -5.096 12.986 796 H ASN 114 H ASN 114 -13.095 -5.166 10.275 797 HA ASN 114 HA ASN 114 -14.773 -5.738 12.551 798 HB2 ASN 114 HB2 ASN 114 -15.048 -4.224 10.007 799 HB3 ASN 114 HB1 ASN 114 -16.527 -4.842 10.736 800 HD21 ASN 114 HD21 ASN 114 -13.559 -3.134 11.658 801 HD22 ASN 114 HD22 ASN 114 -14.328 -2.033 12.744 802 H ILE 115 H ILE 115 -14.325 -6.939 9.264 803 HA ILE 115 HA ILE 115 -16.579 -8.571 9.071 804 HB ILE 115 HB ILE 115 -13.845 -9.145 7.921 805 HG12 ILE 115 HG12 ILE 115 -14.540 -6.932 7.252 806 HG13 ILE 115 HG11 ILE 115 -14.744 -8.019 5.884 807 HG21 ILE 115 HG21 ILE 115 -15.389 -11.051 7.860 808 HG22 ILE 115 HG22 ILE 115 -15.032 -10.436 6.246 809 HG23 ILE 115 HG23 ILE 115 -16.572 -10.052 7.014 810 HD11 ILE 115 HD11 ILE 115 -17.186 -8.060 7.227 811 HD12 ILE 115 HD12 ILE 115 -16.811 -7.260 5.700 812 HD13 ILE 115 HD13 ILE 115 -16.677 -6.372 7.219 813 H ALA 116 H ALA 116 -13.425 -9.193 10.516 814 HA ALA 116 HA ALA 116 -12.664 -10.827 11.907 815 HB1 ALA 116 HB1 ALA 116 -14.633 -10.025 13.221 816 HB2 ALA 116 HB2 ALA 116 -14.169 -11.697 13.542 817 HB3 ALA 116 HB3 ALA 116 -15.565 -11.349 12.523 818 H LYS 117 H LYS 117 -13.042 -11.521 9.180 819 HA LYS 117 HA LYS 117 -14.215 -14.157 9.083 820 HB2 LYS 117 HB2 LYS 117 -13.095 -12.233 7.155 821 HB3 LYS 117 HB1 LYS 117 -12.806 -13.919 6.755 822 HG2 LYS 117 HG2 LYS 117 -15.551 -13.004 7.492 823 HG3 LYS 117 HG1 LYS 117 -14.926 -12.737 5.863 824 HD2 LYS 117 HD2 LYS 117 -14.560 -15.454 6.943 825 HD3 LYS 117 HD1 LYS 117 -16.230 -14.974 6.637 826 HE2 LYS 117 HE2 LYS 117 -15.668 -14.411 4.340 827 HE3 LYS 117 HE1 LYS 117 -13.977 -14.807 4.638 828 HZ1 LYS 117 HZ1 LYS 117 -15.720 -16.520 3.605 829 HZ2 LYS 117 HZ2 LYS 117 -15.903 -16.897 5.243 830 HZ3 LYS 117 HZ3 LYS 117 -14.380 -17.006 4.518 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -18.197 8.181 3.924 2 H2 MET 1 HT2 MET 1 -18.711 6.764 3.104 3 H3 MET 1 HT3 MET 1 -19.370 8.291 2.678 4 HA MET 1 HA MET 1 -17.871 7.869 1.032 5 HB2 MET 1 HB2 MET 1 -16.514 9.497 3.192 6 HB3 MET 1 HB1 MET 1 -16.039 9.494 1.500 7 HG2 MET 1 HG2 MET 1 -18.389 10.254 0.973 8 HG3 MET 1 HG1 MET 1 -18.589 10.519 2.704 9 HE1 MET 1 HE1 MET 1 -17.945 12.860 3.829 10 HE2 MET 1 HE2 MET 1 -19.191 12.865 2.581 11 HE3 MET 1 HE3 MET 1 -17.969 14.137 2.614 12 H ASP 2 H ASP 2 -16.720 6.824 4.160 13 HA ASP 2 HA ASP 2 -14.423 5.483 2.930 14 HB2 ASP 2 HB2 ASP 2 -13.765 5.025 5.315 15 HB3 ASP 2 HB1 ASP 2 -13.835 6.731 4.887 16 H ARG 3 H ARG 3 -15.309 3.714 1.934 17 HA ARG 3 HA ARG 3 -15.799 1.428 3.500 18 HB2 ARG 3 HB2 ARG 3 -18.175 1.036 2.868 19 HB3 ARG 3 HB1 ARG 3 -17.957 2.382 3.975 20 HG2 ARG 3 HG2 ARG 3 -18.266 3.970 2.217 21 HG3 ARG 3 HG1 ARG 3 -18.262 2.692 0.998 22 HD2 ARG 3 HD2 ARG 3 -20.292 1.743 2.092 23 HD3 ARG 3 HD1 ARG 3 -20.327 3.156 3.144 24 HE ARG 3 HE ARG 3 -21.135 3.023 0.391 25 HH11 ARG 3 HH11 ARG 3 -20.006 5.121 2.941 26 HH12 ARG 3 HH12 ARG 3 -20.682 6.550 2.235 27 HH21 ARG 3 HH21 ARG 3 -22.025 4.902 -0.539 28 HH22 ARG 3 HH22 ARG 3 -21.829 6.426 0.260 29 H LYS 4 H LYS 4 -16.364 3.027 0.401 30 HA LYS 4 HA LYS 4 -16.381 0.624 -1.132 31 HB2 LYS 4 HB2 LYS 4 -17.218 3.080 -1.688 32 HB3 LYS 4 HB1 LYS 4 -15.599 3.232 -2.355 33 HG2 LYS 4 HG2 LYS 4 -16.410 2.361 -4.225 34 HG3 LYS 4 HG1 LYS 4 -16.507 0.823 -3.365 35 HD2 LYS 4 HD2 LYS 4 -18.669 1.027 -4.103 36 HD3 LYS 4 HD1 LYS 4 -18.797 1.806 -2.526 37 HE2 LYS 4 HE2 LYS 4 -18.524 3.994 -3.587 38 HE3 LYS 4 HE1 LYS 4 -18.393 3.213 -5.163 39 HZ1 LYS 4 HZ1 LYS 4 -20.759 2.561 -3.606 40 HZ2 LYS 4 HZ2 LYS 4 -20.601 2.851 -5.264 41 HZ3 LYS 4 HZ3 LYS 4 -20.672 4.150 -4.183 42 H VAL 5 H VAL 5 -13.889 2.836 -0.056 43 HA VAL 5 HA VAL 5 -11.811 2.199 -1.770 44 HB VAL 5 HB VAL 5 -11.506 2.611 1.207 45 HG11 VAL 5 HG11 VAL 5 -9.585 1.911 -0.521 46 HG12 VAL 5 HG12 VAL 5 -9.299 2.976 0.855 47 HG13 VAL 5 HG13 VAL 5 -9.553 3.660 -0.749 48 HG21 VAL 5 HG21 VAL 5 -12.154 4.509 -0.989 49 HG22 VAL 5 HG22 VAL 5 -11.066 5.045 0.291 50 HG23 VAL 5 HG23 VAL 5 -12.694 4.496 0.690 51 H ALA 6 H ALA 6 -13.130 0.413 0.935 52 HA ALA 6 HA ALA 6 -11.071 -1.561 1.028 53 HB1 ALA 6 HB1 ALA 6 -12.423 -2.688 2.615 54 HB2 ALA 6 HB2 ALA 6 -13.883 -1.877 2.050 55 HB3 ALA 6 HB3 ALA 6 -12.645 -0.963 2.912 56 H ARG 7 H ARG 7 -14.228 -1.298 -0.523 57 HA ARG 7 HA ARG 7 -14.321 -3.962 -1.493 58 HB2 ARG 7 HB2 ARG 7 -15.835 -1.459 -1.943 59 HB3 ARG 7 HB1 ARG 7 -15.890 -2.634 -3.251 60 HG2 ARG 7 HG2 ARG 7 -17.630 -3.458 -2.107 61 HG3 ARG 7 HG1 ARG 7 -16.382 -4.232 -1.129 62 HD2 ARG 7 HD2 ARG 7 -16.597 -1.728 -0.004 63 HD3 ARG 7 HD1 ARG 7 -18.261 -2.115 -0.438 64 HE ARG 7 HE ARG 7 -17.152 -4.338 0.841 65 HH11 ARG 7 HH11 ARG 7 -18.081 -1.055 1.578 66 HH12 ARG 7 HH12 ARG 7 -18.428 -1.394 3.240 67 HH21 ARG 7 HH21 ARG 7 -17.608 -4.785 3.029 68 HH22 ARG 7 HH22 ARG 7 -18.159 -3.512 4.064 69 H GLU 8 H GLU 8 -13.038 -0.959 -2.785 70 HA GLU 8 HA GLU 8 -12.510 -1.979 -5.391 71 HB2 GLU 8 HB2 GLU 8 -11.501 0.423 -3.876 72 HB3 GLU 8 HB1 GLU 8 -10.945 0.042 -5.500 73 HG2 GLU 8 HG2 GLU 8 -13.820 0.497 -4.740 74 HG3 GLU 8 HG1 GLU 8 -12.756 1.720 -5.433 75 H PHE 9 H PHE 9 -10.460 -1.399 -2.545 76 HA PHE 9 HA PHE 9 -8.105 -2.474 -3.690 77 HB2 PHE 9 HB2 PHE 9 -8.012 -0.988 -1.756 78 HB3 PHE 9 HB1 PHE 9 -8.899 -2.158 -0.785 79 HD1 PHE 9 HD2 PHE 9 -5.974 -2.455 -3.085 80 HD2 PHE 9 HD1 PHE 9 -7.530 -3.024 0.836 81 HE1 PHE 9 HE2 PHE 9 -3.850 -3.488 -2.397 82 HE2 PHE 9 HE1 PHE 9 -5.409 -4.058 1.531 83 HZ PHE 9 HZ PHE 9 -3.565 -4.292 -0.086 84 H ARG 10 H ARG 10 -10.782 -3.852 -1.899 85 HA ARG 10 HA ARG 10 -9.565 -6.409 -1.506 86 HB2 ARG 10 HB2 ARG 10 -11.354 -5.577 -0.035 87 HB3 ARG 10 HB1 ARG 10 -12.478 -5.603 -1.387 88 HG2 ARG 10 HG2 ARG 10 -11.074 -8.128 -0.722 89 HG3 ARG 10 HG1 ARG 10 -12.336 -7.571 0.379 90 HD2 ARG 10 HD2 ARG 10 -12.996 -7.486 -2.494 91 HD3 ARG 10 HD1 ARG 10 -12.801 -9.093 -1.798 92 HE ARG 10 HE ARG 10 -14.937 -7.235 -1.304 93 HH11 ARG 10 HH11 ARG 10 -13.172 -9.965 -0.036 94 HH12 ARG 10 HH12 ARG 10 -14.468 -10.489 0.984 95 HH21 ARG 10 HH21 ARG 10 -16.645 -7.922 0.038 96 HH22 ARG 10 HH22 ARG 10 -16.440 -9.330 1.026 97 H HIS 11 H HIS 11 -11.908 -5.074 -3.813 98 HA HIS 11 HA HIS 11 -12.330 -7.515 -5.198 99 HB2 HIS 11 HB2 HIS 11 -13.835 -5.475 -5.241 100 HB3 HIS 11 HB1 HIS 11 -12.675 -4.743 -6.343 101 HD1 HIS 11 HD1 HIS 11 -15.346 -5.008 -7.514 102 HD2 HIS 11 HD2 HIS 11 -12.650 -8.169 -7.580 103 HE1 HIS 11 HE1 HIS 11 -16.103 -6.498 -9.393 104 HE2 HIS 11 HE2 HIS 11 -14.508 -8.449 -9.355 105 H LYS 12 H LYS 12 -10.200 -4.737 -5.791 106 HA LYS 12 HA LYS 12 -9.146 -5.593 -8.240 107 HB2 LYS 12 HB2 LYS 12 -8.304 -3.710 -6.104 108 HB3 LYS 12 HB1 LYS 12 -7.049 -4.256 -7.208 109 HG2 LYS 12 HG2 LYS 12 -7.956 -2.199 -8.020 110 HG3 LYS 12 HG1 LYS 12 -8.452 -3.501 -9.103 111 HD2 LYS 12 HD2 LYS 12 -10.559 -3.550 -7.515 112 HD3 LYS 12 HD1 LYS 12 -10.075 -1.883 -7.202 113 HE2 LYS 12 HE2 LYS 12 -11.578 -1.717 -8.983 114 HE3 LYS 12 HE1 LYS 12 -9.989 -1.623 -9.745 115 HZ1 LYS 12 HZ1 LYS 12 -10.379 -4.224 -9.876 116 HZ2 LYS 12 HZ2 LYS 12 -10.933 -3.170 -11.076 117 HZ3 LYS 12 HZ3 LYS 12 -11.999 -3.731 -9.890 118 H VAL 13 H VAL 13 -7.719 -5.910 -4.985 119 HA VAL 13 HA VAL 13 -5.566 -7.520 -5.660 120 HB VAL 13 HB VAL 13 -7.162 -7.589 -3.093 121 HG11 VAL 13 HG11 VAL 13 -4.324 -8.470 -3.607 122 HG12 VAL 13 HG12 VAL 13 -5.701 -9.550 -3.388 123 HG13 VAL 13 HG13 VAL 13 -5.174 -8.513 -2.062 124 HG21 VAL 13 HG21 VAL 13 -4.574 -6.185 -3.237 125 HG22 VAL 13 HG22 VAL 13 -6.054 -5.756 -2.378 126 HG23 VAL 13 HG23 VAL 13 -5.911 -5.430 -4.106 127 H ASP 14 H ASP 14 -8.913 -8.378 -5.011 128 HA ASP 14 HA ASP 14 -8.479 -11.198 -5.030 129 HB2 ASP 14 HB2 ASP 14 -10.430 -10.098 -3.931 130 HB3 ASP 14 HB1 ASP 14 -11.054 -9.688 -5.528 131 H PHE 15 H PHE 15 -9.040 -8.777 -7.464 132 HA PHE 15 HA PHE 15 -9.895 -10.523 -9.539 133 HB2 PHE 15 HB2 PHE 15 -9.510 -7.738 -9.206 134 HB3 PHE 15 HB1 PHE 15 -8.511 -8.222 -10.572 135 HD1 PHE 15 HD2 PHE 15 -11.811 -9.516 -9.444 136 HD2 PHE 15 HD1 PHE 15 -9.612 -7.463 -12.455 137 HE1 PHE 15 HE2 PHE 15 -13.801 -9.515 -10.891 138 HE2 PHE 15 HE1 PHE 15 -11.599 -7.457 -13.907 139 HZ PHE 15 HZ PHE 15 -13.697 -8.485 -13.126 140 H LEU 16 H LEU 16 -6.814 -9.483 -8.302 141 HA LEU 16 HA LEU 16 -5.355 -10.724 -10.494 142 HB2 LEU 16 HB2 LEU 16 -3.946 -9.672 -8.105 143 HB3 LEU 16 HB1 LEU 16 -3.514 -9.558 -9.800 144 HG LEU 16 HG LEU 16 -5.907 -8.017 -8.984 145 HD11 LEU 16 HD11 LEU 16 -4.960 -6.574 -7.561 146 HD12 LEU 16 HD12 LEU 16 -3.413 -6.596 -8.409 147 HD13 LEU 16 HD13 LEU 16 -3.807 -7.874 -7.260 148 HD21 LEU 16 HD21 LEU 16 -4.347 -6.335 -10.350 149 HD22 LEU 16 HD22 LEU 16 -5.392 -7.519 -11.133 150 HD23 LEU 16 HD23 LEU 16 -3.676 -7.863 -10.919 151 H ILE 17 H ILE 17 -5.562 -11.016 -6.972 152 HA ILE 17 HA ILE 17 -3.983 -13.374 -6.827 153 HB ILE 17 HB ILE 17 -5.711 -11.884 -4.892 154 HG12 ILE 17 HG12 ILE 17 -3.493 -11.988 -3.628 155 HG13 ILE 17 HG11 ILE 17 -2.806 -12.619 -5.120 156 HG21 ILE 17 HG21 ILE 17 -6.263 -13.859 -3.936 157 HG22 ILE 17 HG22 ILE 17 -4.649 -13.704 -3.245 158 HG23 ILE 17 HG23 ILE 17 -4.906 -14.719 -4.664 159 HD11 ILE 17 HD11 ILE 17 -2.494 -10.182 -4.798 160 HD12 ILE 17 HD12 ILE 17 -4.243 -9.987 -4.905 161 HD13 ILE 17 HD13 ILE 17 -3.336 -10.604 -6.287 162 H GLU 18 H GLU 18 -7.468 -12.820 -6.589 163 HA GLU 18 HA GLU 18 -9.235 -14.176 -6.796 164 HB2 GLU 18 HB2 GLU 18 -7.604 -15.893 -8.604 165 HB3 GLU 18 HB1 GLU 18 -9.308 -15.484 -8.720 166 HG2 GLU 18 HG2 GLU 18 -7.916 -13.062 -8.893 167 HG3 GLU 18 HG1 GLU 18 -7.040 -14.205 -9.908 168 H ASN 19 H ASN 19 -6.690 -15.107 -5.200 169 HA ASN 19 HA ASN 19 -7.756 -17.755 -4.516 170 HB2 ASN 19 HB2 ASN 19 -4.942 -16.678 -4.340 171 HB3 ASN 19 HB1 ASN 19 -5.444 -18.172 -3.556 172 HD21 ASN 19 HD21 ASN 19 -3.442 -17.961 -5.525 173 HD22 ASN 19 HD22 ASN 19 -3.960 -18.853 -6.910 174 H ASP 20 H ASP 20 -8.190 -18.250 -2.393 175 HA ASP 20 HA ASP 20 -8.703 -16.045 -0.654 176 HB2 ASP 20 HB2 ASP 20 -9.232 -18.946 -0.663 177 HB3 ASP 20 HB1 ASP 20 -9.046 -18.231 0.936 178 H ALA 21 H ALA 21 -6.485 -18.828 -0.463 179 HA ALA 21 HA ALA 21 -5.272 -18.217 1.955 180 HB1 ALA 21 HB1 ALA 21 -4.778 -20.320 1.073 181 HB2 ALA 21 HB2 ALA 21 -3.259 -19.435 0.933 182 HB3 ALA 21 HB3 ALA 21 -4.286 -19.652 -0.484 183 H GLU 22 H GLU 22 -4.406 -17.150 -1.302 184 HA GLU 22 HA GLU 22 -2.103 -15.705 -0.604 185 HB2 GLU 22 HB2 GLU 22 -4.011 -15.578 -2.917 186 HB3 GLU 22 HB1 GLU 22 -2.718 -14.395 -2.767 187 HG2 GLU 22 HG2 GLU 22 -2.203 -17.351 -2.712 188 HG3 GLU 22 HG1 GLU 22 -2.273 -16.428 -4.213 189 H LYS 23 H LYS 23 -5.489 -14.665 -0.952 190 HA LYS 23 HA LYS 23 -5.038 -11.943 -0.346 191 HB2 LYS 23 HB2 LYS 23 -7.170 -13.249 -1.261 192 HB3 LYS 23 HB1 LYS 23 -7.607 -13.242 0.443 193 HG2 LYS 23 HG2 LYS 23 -7.110 -10.702 0.301 194 HG3 LYS 23 HG1 LYS 23 -7.290 -10.944 -1.437 195 HD2 LYS 23 HD2 LYS 23 -9.370 -11.991 0.436 196 HD3 LYS 23 HD1 LYS 23 -9.358 -10.278 0.005 197 HE2 LYS 23 HE2 LYS 23 -9.108 -11.365 -2.438 198 HE3 LYS 23 HE1 LYS 23 -10.007 -12.651 -1.633 199 HZ1 LYS 23 HZ1 LYS 23 -11.596 -10.864 -0.911 200 HZ2 LYS 23 HZ2 LYS 23 -11.594 -11.207 -2.566 201 HZ3 LYS 23 HZ3 LYS 23 -10.812 -9.823 -1.990 202 H ASP 24 H ASP 24 -5.434 -14.780 1.643 203 HA ASP 24 HA ASP 24 -5.985 -13.499 4.088 204 HB2 ASP 24 HB2 ASP 24 -5.044 -16.169 3.234 205 HB3 ASP 24 HB1 ASP 24 -4.581 -15.697 4.866 206 H TYR 25 H TYR 25 -2.932 -14.534 2.595 207 HA TYR 25 HA TYR 25 -1.281 -13.499 4.654 208 HB2 TYR 25 HB2 TYR 25 -0.564 -15.251 3.023 209 HB3 TYR 25 HB1 TYR 25 -0.541 -14.019 1.766 210 HD1 TYR 25 HD2 TYR 25 1.143 -15.296 4.757 211 HD2 TYR 25 HD1 TYR 25 1.208 -12.337 1.702 212 HE1 TYR 25 HE2 TYR 25 3.463 -14.742 5.352 213 HE2 TYR 25 HE1 TYR 25 3.529 -11.774 2.287 214 HH TYR 25 HH TYR 25 5.470 -13.708 4.172 215 H LEU 26 H LEU 26 -2.251 -12.194 1.477 216 HA LEU 26 HA LEU 26 -0.767 -9.820 1.652 217 HB2 LEU 26 HB2 LEU 26 -2.105 -10.718 -0.352 218 HB3 LEU 26 HB1 LEU 26 -3.508 -9.987 0.406 219 HG LEU 26 HG LEU 26 -1.103 -8.287 -0.084 220 HD11 LEU 26 HD11 LEU 26 -2.212 -7.733 -2.326 221 HD12 LEU 26 HD12 LEU 26 -2.996 -9.305 -2.171 222 HD13 LEU 26 HD13 LEU 26 -1.236 -9.198 -2.222 223 HD21 LEU 26 HD21 LEU 26 -2.518 -6.583 0.272 224 HD22 LEU 26 HD22 LEU 26 -3.544 -7.810 1.015 225 HD23 LEU 26 HD23 LEU 26 -3.814 -7.330 -0.661 226 H TYR 27 H TYR 27 -3.965 -10.706 2.829 227 HA TYR 27 HA TYR 27 -4.671 -8.192 3.896 228 HB2 TYR 27 HB2 TYR 27 -5.577 -10.986 4.228 229 HB3 TYR 27 HB1 TYR 27 -5.858 -9.947 5.621 230 HD1 TYR 27 HD1 TYR 27 -6.583 -7.399 4.543 231 HD2 TYR 27 HD2 TYR 27 -7.558 -11.272 3.075 232 HE1 TYR 27 HE1 TYR 27 -8.588 -6.477 3.459 233 HE2 TYR 27 HE2 TYR 27 -9.566 -10.360 1.987 234 HH TYR 27 HH TYR 27 -10.967 -7.612 2.719 235 H ASP 28 H ASP 28 -2.670 -10.848 5.030 236 HA ASP 28 HA ASP 28 -2.330 -9.848 7.683 237 HB2 ASP 28 HB2 ASP 28 -1.968 -12.251 6.876 238 HB3 ASP 28 HB1 ASP 28 -0.430 -11.688 6.228 239 H VAL 29 H VAL 29 -0.712 -9.402 4.596 240 HA VAL 29 HA VAL 29 1.664 -8.223 5.542 241 HB VAL 29 HB VAL 29 0.206 -7.740 2.937 242 HG11 VAL 29 HG11 VAL 29 2.549 -7.110 2.158 243 HG12 VAL 29 HG12 VAL 29 2.954 -6.958 3.868 244 HG13 VAL 29 HG13 VAL 29 1.699 -5.938 3.165 245 HG21 VAL 29 HG21 VAL 29 2.221 -9.762 3.836 246 HG22 VAL 29 HG22 VAL 29 2.131 -9.280 2.141 247 HG23 VAL 29 HG23 VAL 29 0.727 -9.999 2.930 248 H LEU 30 H LEU 30 -1.384 -6.743 4.447 249 HA LEU 30 HA LEU 30 -0.648 -4.079 4.948 250 HB2 LEU 30 HB2 LEU 30 -3.416 -5.279 5.067 251 HB3 LEU 30 HB1 LEU 30 -3.031 -3.581 4.861 252 HG LEU 30 HG LEU 30 -1.796 -5.258 2.818 253 HD11 LEU 30 HD11 LEU 30 -3.714 -6.654 3.031 254 HD12 LEU 30 HD12 LEU 30 -3.949 -5.639 1.606 255 HD13 LEU 30 HD13 LEU 30 -4.792 -5.260 3.108 256 HD21 LEU 30 HD21 LEU 30 -2.250 -3.475 1.475 257 HD22 LEU 30 HD22 LEU 30 -2.300 -2.668 3.042 258 HD23 LEU 30 HD23 LEU 30 -3.801 -3.145 2.247 259 H ARG 31 H ARG 31 -2.259 -6.496 6.954 260 HA ARG 31 HA ARG 31 -2.821 -4.868 9.165 261 HB2 ARG 31 HB2 ARG 31 -2.987 -7.632 8.512 262 HB3 ARG 31 HB1 ARG 31 -2.161 -7.503 10.058 263 HG2 ARG 31 HG2 ARG 31 -4.264 -5.757 10.340 264 HG3 ARG 31 HG1 ARG 31 -4.957 -7.073 9.391 265 HD2 ARG 31 HD2 ARG 31 -3.286 -7.773 11.747 266 HD3 ARG 31 HD1 ARG 31 -4.902 -7.132 12.039 267 HE ARG 31 HE ARG 31 -4.839 -9.272 10.123 268 HH11 ARG 31 HH11 ARG 31 -5.015 -8.477 13.516 269 HH12 ARG 31 HH12 ARG 31 -5.782 -9.966 13.953 270 HH21 ARG 31 HH21 ARG 31 -5.848 -11.232 10.697 271 HH22 ARG 31 HH22 ARG 31 -6.254 -11.530 12.353 272 H MET 32 H MET 32 0.080 -6.646 8.249 273 HA MET 32 HA MET 32 1.457 -6.066 10.703 274 HB2 MET 32 HB2 MET 32 2.549 -7.874 9.947 275 HB3 MET 32 HB1 MET 32 1.910 -7.668 8.325 276 HG2 MET 32 HG2 MET 32 3.703 -6.296 7.678 277 HG3 MET 32 HG1 MET 32 4.225 -6.057 9.345 278 HE1 MET 32 HE1 MET 32 4.933 -7.717 10.832 279 HE2 MET 32 HE2 MET 32 6.569 -7.821 10.183 280 HE3 MET 32 HE3 MET 32 5.639 -9.293 10.468 281 H TYR 33 H TYR 33 1.243 -4.681 7.491 282 HA TYR 33 HA TYR 33 3.444 -2.950 7.602 283 HB2 TYR 33 HB2 TYR 33 2.316 -3.343 5.507 284 HB3 TYR 33 HB1 TYR 33 0.807 -2.700 6.145 285 HD1 TYR 33 HD1 TYR 33 4.165 -1.201 6.606 286 HD2 TYR 33 HD2 TYR 33 0.423 -0.957 4.594 287 HE1 TYR 33 HE1 TYR 33 4.766 1.033 5.769 288 HE2 TYR 33 HE2 TYR 33 1.015 1.276 3.751 289 HH TYR 33 HH TYR 33 3.716 3.028 4.929 290 H HIS 34 H HIS 34 0.202 -2.697 8.899 291 HA HIS 34 HA HIS 34 0.273 0.064 9.521 292 HB2 HIS 34 HB2 HIS 34 -1.771 -1.458 9.417 293 HB3 HIS 34 HB1 HIS 34 -1.309 -2.025 11.019 294 HD1 HIS 34 HD1 HIS 34 -1.575 -0.354 12.988 295 HD2 HIS 34 HD2 HIS 34 -2.900 1.089 9.325 296 HE1 HIS 34 HE1 HIS 34 -2.919 1.702 13.523 297 HE2 HIS 34 HE2 HIS 34 -3.617 2.619 11.283 298 H GLN 35 H GLN 35 1.325 -2.823 11.219 299 HA GLN 35 HA GLN 35 1.848 -1.456 13.689 300 HB2 GLN 35 HB2 GLN 35 1.392 -4.024 13.162 301 HB3 GLN 35 HB1 GLN 35 3.146 -4.058 13.066 302 HG2 GLN 35 HG2 GLN 35 2.978 -2.804 15.364 303 HG3 GLN 35 HG1 GLN 35 1.382 -3.552 15.404 304 HE21 GLN 35 HE21 GLN 35 4.090 -3.943 16.816 305 HE22 GLN 35 HE22 GLN 35 4.307 -5.657 16.782 306 H THR 36 H THR 36 3.916 -2.928 11.208 307 HA THR 36 HA THR 36 6.330 -1.904 12.295 308 HB THR 36 HB THR 36 6.242 -3.903 10.849 309 HG1 THR 36 HG1 THR 36 7.829 -1.736 9.962 310 HG21 THR 36 HG21 THR 36 6.202 -2.374 8.355 311 HG22 THR 36 HG22 THR 36 4.647 -2.510 9.173 312 HG23 THR 36 HG23 THR 36 5.541 -3.964 8.730 313 H MET 37 H MET 37 4.054 -0.743 9.892 314 HA MET 37 HA MET 37 3.838 1.245 8.813 315 HB2 MET 37 HB2 MET 37 4.543 1.856 11.400 316 HB3 MET 37 HB1 MET 37 5.738 2.745 10.468 317 HG2 MET 37 HG2 MET 37 4.163 4.337 10.463 318 HG3 MET 37 HG1 MET 37 3.512 3.404 9.117 319 HE1 MET 37 HE1 MET 37 0.963 3.835 9.179 320 HE2 MET 37 HE2 MET 37 0.070 2.662 10.146 321 HE3 MET 37 HE3 MET 37 1.383 2.124 9.098 322 H ASP 38 H ASP 38 5.752 -0.517 7.792 323 HA ASP 38 HA ASP 38 7.693 1.385 6.661 324 HB2 ASP 38 HB2 ASP 38 8.319 -0.837 8.253 325 HB3 ASP 38 HB1 ASP 38 8.679 -1.335 6.603 326 H VAL 39 H VAL 39 7.118 1.712 4.625 327 HA VAL 39 HA VAL 39 5.468 0.075 3.086 328 HB VAL 39 HB VAL 39 7.539 1.998 2.025 329 HG11 VAL 39 HG11 VAL 39 4.929 1.063 0.837 330 HG12 VAL 39 HG12 VAL 39 6.532 0.518 0.342 331 HG13 VAL 39 HG13 VAL 39 6.062 2.202 0.109 332 HG21 VAL 39 HG21 VAL 39 5.542 2.619 3.798 333 HG22 VAL 39 HG22 VAL 39 4.786 2.945 2.238 334 HG23 VAL 39 HG23 VAL 39 6.297 3.744 2.671 335 H ALA 40 H ALA 40 8.863 -0.125 3.715 336 HA ALA 40 HA ALA 40 9.554 -1.711 1.446 337 HB1 ALA 40 HB1 ALA 40 11.509 -2.292 3.190 338 HB2 ALA 40 HB2 ALA 40 10.897 -0.805 3.917 339 HB3 ALA 40 HB3 ALA 40 11.467 -0.802 2.247 340 H VAL 41 H VAL 41 8.175 -2.311 4.559 341 HA VAL 41 HA VAL 41 8.771 -5.114 4.586 342 HB VAL 41 HB VAL 41 6.814 -3.529 6.260 343 HG11 VAL 41 HG11 VAL 41 7.483 -6.400 6.146 344 HG12 VAL 41 HG12 VAL 41 6.009 -5.597 6.686 345 HG13 VAL 41 HG13 VAL 41 7.408 -5.686 7.757 346 HG21 VAL 41 HG21 VAL 41 9.294 -4.615 7.428 347 HG22 VAL 41 HG22 VAL 41 8.476 -3.082 7.722 348 HG23 VAL 41 HG23 VAL 41 9.495 -3.278 6.296 349 H LEU 42 H LEU 42 5.900 -3.124 3.934 350 HA LEU 42 HA LEU 42 4.129 -5.245 3.446 351 HB2 LEU 42 HB2 LEU 42 2.614 -3.651 2.907 352 HB3 LEU 42 HB1 LEU 42 3.804 -2.604 3.651 353 HG LEU 42 HG LEU 42 4.717 -2.313 1.233 354 HD11 LEU 42 HD11 LEU 42 3.530 -3.064 -0.506 355 HD12 LEU 42 HD12 LEU 42 1.991 -2.623 0.234 356 HD13 LEU 42 HD13 LEU 42 2.768 -4.148 0.657 357 HD21 LEU 42 HD21 LEU 42 2.520 -0.732 0.922 358 HD22 LEU 42 HD22 LEU 42 3.925 -0.330 1.909 359 HD23 LEU 42 HD23 LEU 42 2.496 -1.044 2.658 360 H VAL 43 H VAL 43 6.330 -3.482 1.315 361 HA VAL 43 HA VAL 43 5.508 -4.705 -1.097 362 HB VAL 43 HB VAL 43 8.244 -3.600 -0.428 363 HG11 VAL 43 HG11 VAL 43 6.985 -4.605 -2.902 364 HG12 VAL 43 HG12 VAL 43 8.683 -4.557 -2.428 365 HG13 VAL 43 HG13 VAL 43 7.901 -3.104 -3.048 366 HG21 VAL 43 HG21 VAL 43 6.405 -1.959 -2.014 367 HG22 VAL 43 HG22 VAL 43 7.483 -1.505 -0.693 368 HG23 VAL 43 HG23 VAL 43 5.904 -2.204 -0.340 369 H GLY 44 H GLY 44 8.192 -5.440 1.136 370 HA2 GLY 44 HA2 GLY 44 9.316 -7.585 -0.207 371 HA3 GLY 44 HA1 GLY 44 9.297 -7.415 1.542 372 H ASP 45 H ASP 45 6.560 -7.602 2.025 373 HA ASP 45 HA ASP 45 6.204 -10.408 2.011 374 HB2 ASP 45 HB2 ASP 45 4.150 -8.247 2.531 375 HB3 ASP 45 HB1 ASP 45 4.000 -9.945 2.973 376 H LEU 46 H LEU 46 4.322 -7.849 0.355 377 HA LEU 46 HA LEU 46 2.816 -9.616 -1.195 378 HB2 LEU 46 HB2 LEU 46 2.008 -7.790 -2.358 379 HB3 LEU 46 HB1 LEU 46 2.431 -7.121 -0.800 380 HG LEU 46 HG LEU 46 4.677 -6.492 -2.044 381 HD11 LEU 46 HD11 LEU 46 3.909 -7.701 -4.130 382 HD12 LEU 46 HD12 LEU 46 4.420 -6.033 -4.359 383 HD13 LEU 46 HD13 LEU 46 2.705 -6.428 -4.317 384 HD21 LEU 46 HD21 LEU 46 2.324 -4.837 -2.809 385 HD22 LEU 46 HD22 LEU 46 3.871 -4.345 -2.126 386 HD23 LEU 46 HD23 LEU 46 2.653 -5.097 -1.096 387 H LYS 47 H LYS 47 6.098 -8.592 -1.522 388 HA LYS 47 HA LYS 47 6.433 -9.146 -4.281 389 HB2 LYS 47 HB2 LYS 47 8.269 -8.898 -1.927 390 HB3 LYS 47 HB1 LYS 47 8.891 -9.622 -3.400 391 HG2 LYS 47 HG2 LYS 47 7.964 -6.820 -2.923 392 HG3 LYS 47 HG1 LYS 47 9.490 -7.395 -3.593 393 HD2 LYS 47 HD2 LYS 47 7.825 -8.370 -5.437 394 HD3 LYS 47 HD1 LYS 47 6.863 -6.993 -4.897 395 HE2 LYS 47 HE2 LYS 47 8.192 -5.538 -5.948 396 HE3 LYS 47 HE1 LYS 47 9.648 -6.285 -5.294 397 HZ1 LYS 47 HZ1 LYS 47 9.907 -6.663 -7.519 398 HZ2 LYS 47 HZ2 LYS 47 8.252 -6.834 -7.816 399 HZ3 LYS 47 HZ3 LYS 47 9.110 -8.088 -7.075 400 H LEU 48 H LEU 48 7.033 -11.050 -1.340 401 HA LEU 48 HA LEU 48 7.787 -13.441 -2.596 402 HB2 LEU 48 HB2 LEU 48 6.506 -12.845 0.061 403 HB3 LEU 48 HB1 LEU 48 6.856 -14.489 -0.433 404 HG LEU 48 HG LEU 48 9.007 -12.391 -0.379 405 HD11 LEU 48 HD11 LEU 48 9.518 -12.848 1.851 406 HD12 LEU 48 HD12 LEU 48 8.473 -14.268 1.898 407 HD13 LEU 48 HD13 LEU 48 7.766 -12.653 1.846 408 HD21 LEU 48 HD21 LEU 48 10.347 -14.523 0.088 409 HD22 LEU 48 HD22 LEU 48 9.724 -14.284 -1.544 410 HD23 LEU 48 HD23 LEU 48 8.904 -15.389 -0.441 411 H VAL 49 H VAL 49 4.719 -11.918 -2.106 412 HA VAL 49 HA VAL 49 3.174 -14.278 -2.816 413 HB VAL 49 HB VAL 49 2.258 -11.419 -2.453 414 HG11 VAL 49 HG11 VAL 49 0.463 -12.320 -3.497 415 HG12 VAL 49 HG12 VAL 49 0.105 -12.884 -1.865 416 HG13 VAL 49 HG13 VAL 49 0.873 -13.968 -3.026 417 HG21 VAL 49 HG21 VAL 49 1.351 -12.704 -0.263 418 HG22 VAL 49 HG22 VAL 49 2.860 -11.792 -0.317 419 HG23 VAL 49 HG23 VAL 49 2.882 -13.544 -0.515 420 H ILE 50 H ILE 50 4.538 -11.459 -4.268 421 HA ILE 50 HA ILE 50 3.174 -12.050 -6.799 422 HB ILE 50 HB ILE 50 4.161 -9.459 -5.633 423 HG12 ILE 50 HG12 ILE 50 1.530 -9.678 -6.926 424 HG13 ILE 50 HG11 ILE 50 1.738 -10.693 -5.505 425 HG21 ILE 50 HG21 ILE 50 4.888 -9.045 -7.752 426 HG22 ILE 50 HG22 ILE 50 3.199 -8.568 -7.916 427 HG23 ILE 50 HG23 ILE 50 3.729 -10.149 -8.488 428 HD11 ILE 50 HD11 ILE 50 2.202 -7.728 -5.603 429 HD12 ILE 50 HD12 ILE 50 2.298 -8.763 -4.177 430 HD13 ILE 50 HD13 ILE 50 0.755 -8.522 -4.989 431 H ASN 51 H ASN 51 5.641 -13.244 -5.691 432 HA ASN 51 HA ASN 51 8.009 -12.382 -6.731 433 HB2 ASN 51 HB2 ASN 51 7.366 -14.582 -5.444 434 HB3 ASN 51 HB1 ASN 51 7.306 -15.275 -7.062 435 HD21 ASN 51 HD21 ASN 51 9.369 -13.481 -4.838 436 HD22 ASN 51 HD22 ASN 51 10.864 -14.096 -5.444 437 H GLU 52 H GLU 52 5.255 -13.557 -8.500 438 HA GLU 52 HA GLU 52 6.796 -13.775 -10.973 439 HB2 GLU 52 HB2 GLU 52 3.833 -14.229 -10.631 440 HB3 GLU 52 HB1 GLU 52 4.868 -14.795 -11.936 441 HG2 GLU 52 HG2 GLU 52 4.978 -15.715 -9.072 442 HG3 GLU 52 HG1 GLU 52 4.264 -16.600 -10.421 443 HA PRO 53 HA PRO 53 5.731 -9.755 -12.412 444 HB2 PRO 53 HB2 PRO 53 5.552 -10.182 -15.090 445 HB3 PRO 53 HB1 PRO 53 7.085 -10.096 -14.213 446 HG2 PRO 53 HG2 PRO 53 5.531 -12.496 -15.077 447 HG3 PRO 53 HG1 PRO 53 7.276 -12.199 -15.168 448 HD2 PRO 53 HD2 PRO 53 6.186 -13.729 -13.237 449 HD3 PRO 53 HD1 PRO 53 7.605 -12.705 -12.938 450 H SER 54 H SER 54 3.664 -12.453 -13.114 451 HA SER 54 HA SER 54 1.571 -11.068 -14.411 452 HB2 SER 54 HB2 SER 54 2.075 -13.681 -13.950 453 HB3 SER 54 HB1 SER 54 0.851 -13.390 -12.714 454 HG SER 54 HG SER 54 -0.600 -12.866 -14.259 455 H ARG 55 H ARG 55 2.331 -11.609 -11.027 456 HA ARG 55 HA ARG 55 -0.172 -10.436 -10.142 457 HB2 ARG 55 HB2 ARG 55 2.212 -11.351 -8.522 458 HB3 ARG 55 HB1 ARG 55 0.620 -10.945 -7.894 459 HG2 ARG 55 HG2 ARG 55 -0.359 -12.820 -9.065 460 HG3 ARG 55 HG1 ARG 55 1.201 -13.204 -9.795 461 HD2 ARG 55 HD2 ARG 55 2.138 -13.773 -7.680 462 HD3 ARG 55 HD1 ARG 55 0.734 -13.140 -6.821 463 HE ARG 55 HE ARG 55 -0.299 -15.143 -7.149 464 HH11 ARG 55 HH11 ARG 55 2.284 -14.851 -9.478 465 HH12 ARG 55 HH12 ARG 55 2.083 -16.459 -10.088 466 HH21 ARG 55 HH21 ARG 55 -0.564 -17.259 -7.951 467 HH22 ARG 55 HH22 ARG 55 0.465 -17.826 -9.224 468 H LEU 56 H LEU 56 2.273 -8.998 -11.512 469 HA LEU 56 HA LEU 56 3.432 -7.156 -9.837 470 HB2 LEU 56 HB2 LEU 56 2.684 -7.146 -12.716 471 HB3 LEU 56 HB1 LEU 56 3.212 -5.638 -11.997 472 HG LEU 56 HG LEU 56 4.891 -8.096 -11.676 473 HD11 LEU 56 HD11 LEU 56 5.272 -8.261 -13.855 474 HD12 LEU 56 HD12 LEU 56 5.922 -6.623 -13.833 475 HD13 LEU 56 HD13 LEU 56 4.216 -6.890 -14.188 476 HD21 LEU 56 HD21 LEU 56 6.313 -6.664 -10.753 477 HD22 LEU 56 HD22 LEU 56 5.087 -5.406 -10.895 478 HD23 LEU 56 HD23 LEU 56 6.269 -5.633 -12.183 479 HA PRO 57 HA PRO 57 -0.635 -4.320 -11.146 480 HB2 PRO 57 HB2 PRO 57 -2.186 -6.617 -9.991 481 HB3 PRO 57 HB1 PRO 57 -2.734 -5.338 -11.082 482 HG2 PRO 57 HG2 PRO 57 -2.029 -7.748 -12.015 483 HG3 PRO 57 HG1 PRO 57 -1.682 -6.263 -12.919 484 HD2 PRO 57 HD2 PRO 57 0.164 -8.083 -11.554 485 HD3 PRO 57 HD1 PRO 57 0.510 -6.843 -12.771 486 H LEU 58 H LEU 58 -0.049 -6.424 -8.328 487 HA LEU 58 HA LEU 58 -1.414 -4.952 -6.412 488 HB2 LEU 58 HB2 LEU 58 0.303 -7.129 -6.399 489 HB3 LEU 58 HB1 LEU 58 1.084 -5.948 -5.362 490 HG LEU 58 HG LEU 58 -1.495 -5.830 -4.465 491 HD11 LEU 58 HD11 LEU 58 -1.595 -8.020 -6.061 492 HD12 LEU 58 HD12 LEU 58 -2.623 -7.754 -4.654 493 HD13 LEU 58 HD13 LEU 58 -1.168 -8.742 -4.509 494 HD21 LEU 58 HD21 LEU 58 -0.586 -6.482 -2.511 495 HD22 LEU 58 HD22 LEU 58 0.927 -6.340 -3.406 496 HD23 LEU 58 HD23 LEU 58 0.162 -7.916 -3.212 497 H PHE 59 H PHE 59 1.716 -4.303 -7.852 498 HA PHE 59 HA PHE 59 2.570 -2.368 -5.982 499 HB2 PHE 59 HB2 PHE 59 3.251 -2.535 -8.925 500 HB3 PHE 59 HB1 PHE 59 4.160 -1.665 -7.692 501 HD1 PHE 59 HD2 PHE 59 4.948 -3.138 -5.663 502 HD2 PHE 59 HD1 PHE 59 3.932 -4.650 -9.507 503 HE1 PHE 59 HE2 PHE 59 6.267 -5.162 -5.211 504 HE2 PHE 59 HE1 PHE 59 5.246 -6.681 -9.061 505 HZ PHE 59 HZ PHE 59 6.415 -6.939 -6.911 506 H ASP 60 H ASP 60 0.932 -2.017 -9.122 507 HA ASP 60 HA ASP 60 0.587 0.812 -8.818 508 HB2 ASP 60 HB2 ASP 60 0.684 -0.627 -11.000 509 HB3 ASP 60 HB1 ASP 60 -1.039 -0.857 -10.712 510 H ALA 61 H ALA 61 -1.232 -2.036 -8.051 511 HA ALA 61 HA ALA 61 -3.776 -0.844 -7.737 512 HB1 ALA 61 HB1 ALA 61 -2.786 -3.297 -6.309 513 HB2 ALA 61 HB2 ALA 61 -3.262 -3.295 -8.006 514 HB3 ALA 61 HB3 ALA 61 -4.443 -2.892 -6.759 515 H ILE 62 H ILE 62 -1.275 -1.720 -5.365 516 HA ILE 62 HA ILE 62 -2.704 -0.619 -3.150 517 HB ILE 62 HB ILE 62 0.221 -1.325 -3.222 518 HG12 ILE 62 HG12 ILE 62 -1.875 -3.237 -2.274 519 HG13 ILE 62 HG11 ILE 62 -1.573 -3.107 -4.004 520 HG21 ILE 62 HG21 ILE 62 -0.654 -2.005 -0.773 521 HG22 ILE 62 HG22 ILE 62 -1.737 -0.657 -1.123 522 HG23 ILE 62 HG23 ILE 62 0.009 -0.419 -1.168 523 HD11 ILE 62 HD11 ILE 62 -0.155 -4.600 -2.087 524 HD12 ILE 62 HD12 ILE 62 0.921 -3.323 -2.653 525 HD13 ILE 62 HD13 ILE 62 0.182 -4.431 -3.809 526 H ARG 63 H ARG 63 -0.096 0.565 -5.204 527 HA ARG 63 HA ARG 63 0.922 2.608 -3.717 528 HB2 ARG 63 HB2 ARG 63 1.744 3.583 -5.683 529 HB3 ARG 63 HB1 ARG 63 1.638 1.865 -6.019 530 HG2 ARG 63 HG2 ARG 63 -0.117 2.126 -7.495 531 HG3 ARG 63 HG1 ARG 63 -0.600 3.678 -6.810 532 HD2 ARG 63 HD2 ARG 63 1.940 4.202 -7.661 533 HD3 ARG 63 HD1 ARG 63 1.377 3.060 -8.881 534 HE ARG 63 HE ARG 63 -0.592 5.023 -8.464 535 HH11 ARG 63 HH11 ARG 63 2.590 4.657 -9.847 536 HH12 ARG 63 HH12 ARG 63 2.374 5.933 -10.998 537 HH21 ARG 63 HH21 ARG 63 -0.880 6.700 -9.980 538 HH22 ARG 63 HH22 ARG 63 0.405 7.093 -11.074 539 HA PRO 64 HA PRO 64 -2.635 5.579 -5.195 540 HB2 PRO 64 HB2 PRO 64 -4.966 3.785 -5.172 541 HB3 PRO 64 HB1 PRO 64 -4.475 4.972 -6.384 542 HG2 PRO 64 HG2 PRO 64 -4.287 2.338 -6.851 543 HG3 PRO 64 HG1 PRO 64 -3.079 3.481 -7.470 544 HD2 PRO 64 HD2 PRO 64 -2.937 1.705 -5.060 545 HD3 PRO 64 HD1 PRO 64 -1.706 2.000 -6.299 546 H LEU 65 H LEU 65 -3.969 2.868 -3.270 547 HA LEU 65 HA LEU 65 -5.325 4.508 -1.434 548 HB2 LEU 65 HB2 LEU 65 -5.726 2.566 -0.170 549 HB3 LEU 65 HB1 LEU 65 -5.690 2.046 -1.842 550 HG LEU 65 HG LEU 65 -3.085 1.660 -1.078 551 HD11 LEU 65 HD11 LEU 65 -3.570 0.235 1.079 552 HD12 LEU 65 HD12 LEU 65 -4.853 1.423 1.301 553 HD13 LEU 65 HD13 LEU 65 -3.173 1.950 1.186 554 HD21 LEU 65 HD21 LEU 65 -3.707 -0.732 -0.979 555 HD22 LEU 65 HD22 LEU 65 -4.397 0.102 -2.372 556 HD23 LEU 65 HD23 LEU 65 -5.406 -0.261 -0.972 557 H ILE 66 H ILE 66 -2.036 3.308 -1.508 558 HA ILE 66 HA ILE 66 -1.353 3.927 1.164 559 HB ILE 66 HB ILE 66 -0.102 2.574 -0.799 560 HG12 ILE 66 HG12 ILE 66 1.690 3.798 1.240 561 HG13 ILE 66 HG11 ILE 66 0.293 2.888 1.808 562 HG21 ILE 66 HG21 ILE 66 1.660 3.642 -1.806 563 HG22 ILE 66 HG22 ILE 66 1.733 4.911 -0.583 564 HG23 ILE 66 HG23 ILE 66 0.452 4.925 -1.794 565 HD11 ILE 66 HD11 ILE 66 1.124 0.900 1.084 566 HD12 ILE 66 HD12 ILE 66 2.634 1.750 1.411 567 HD13 ILE 66 HD13 ILE 66 2.028 1.632 -0.241 568 HA PRO 67 HA PRO 67 -1.070 8.343 1.558 569 HB2 PRO 67 HB2 PRO 67 1.778 7.703 2.250 570 HB3 PRO 67 HB1 PRO 67 0.650 8.808 3.046 571 HG2 PRO 67 HG2 PRO 67 1.126 6.385 4.053 572 HG3 PRO 67 HG1 PRO 67 -0.498 7.093 4.100 573 HD2 PRO 67 HD2 PRO 67 0.543 4.874 2.448 574 HD3 PRO 67 HD1 PRO 67 -1.122 5.224 2.945 575 H LEU 68 H LEU 68 -0.742 9.889 0.289 576 HA LEU 68 HA LEU 68 0.144 9.697 -2.276 577 HB2 LEU 68 HB2 LEU 68 -0.574 11.739 -0.345 578 HB3 LEU 68 HB1 LEU 68 0.547 12.331 -1.555 579 HG LEU 68 HG LEU 68 -2.090 11.000 -2.130 580 HD11 LEU 68 HD11 LEU 68 -2.846 13.011 -1.415 581 HD12 LEU 68 HD12 LEU 68 -2.402 13.488 -3.054 582 HD13 LEU 68 HD13 LEU 68 -1.307 13.820 -1.712 583 HD21 LEU 68 HD21 LEU 68 -0.457 10.645 -3.903 584 HD22 LEU 68 HD22 LEU 68 -0.134 12.377 -3.970 585 HD23 LEU 68 HD23 LEU 68 -1.720 11.758 -4.432 586 H LYS 69 H LYS 69 2.009 10.398 0.610 587 HA LYS 69 HA LYS 69 4.380 11.102 -0.898 588 HB2 LYS 69 HB2 LYS 69 5.471 11.163 1.344 589 HB3 LYS 69 HB1 LYS 69 4.065 12.210 1.226 590 HG2 LYS 69 HG2 LYS 69 3.523 9.498 2.219 591 HG3 LYS 69 HG1 LYS 69 4.532 10.503 3.262 592 HD2 LYS 69 HD2 LYS 69 2.129 11.798 2.135 593 HD3 LYS 69 HD1 LYS 69 1.841 10.524 3.322 594 HE2 LYS 69 HE2 LYS 69 3.709 12.847 3.763 595 HE3 LYS 69 HE1 LYS 69 2.024 12.830 4.279 596 HZ1 LYS 69 HZ1 LYS 69 2.832 10.572 5.366 597 HZ2 LYS 69 HZ2 LYS 69 2.977 12.058 6.161 598 HZ3 LYS 69 HZ3 LYS 69 4.313 11.390 5.367 599 H HIS 70 H HIS 70 2.970 8.358 0.708 600 HA HIS 70 HA HIS 70 5.294 6.715 0.681 601 HB2 HIS 70 HB2 HIS 70 2.364 6.196 1.102 602 HB3 HIS 70 HB1 HIS 70 3.507 4.863 0.980 603 HD1 HIS 70 HD1 HIS 70 3.030 4.226 3.459 604 HD2 HIS 70 HD2 HIS 70 4.663 8.010 2.936 605 HE1 HIS 70 HE1 HIS 70 3.781 4.955 5.746 606 HE2 HIS 70 HE2 HIS 70 4.850 7.208 5.388 607 H GLN 71 H GLN 71 2.570 7.214 -1.514 608 HA GLN 71 HA GLN 71 3.073 5.041 -3.222 609 HB2 GLN 71 HB2 GLN 71 1.742 6.217 -4.884 610 HB3 GLN 71 HB1 GLN 71 0.991 6.353 -3.301 611 HG2 GLN 71 HG2 GLN 71 1.491 8.598 -3.112 612 HG3 GLN 71 HG1 GLN 71 2.791 8.517 -4.298 613 HE21 GLN 71 HE21 GLN 71 2.359 8.939 -6.376 614 HE22 GLN 71 HE22 GLN 71 0.788 9.282 -7.006 615 H VAL 72 H VAL 72 4.385 8.308 -3.123 616 HA VAL 72 HA VAL 72 5.836 8.199 -5.545 617 HB VAL 72 HB VAL 72 6.845 9.689 -3.150 618 HG11 VAL 72 HG11 VAL 72 7.977 10.963 -4.627 619 HG12 VAL 72 HG12 VAL 72 6.673 10.933 -5.814 620 HG13 VAL 72 HG13 VAL 72 7.770 9.559 -5.673 621 HG21 VAL 72 HG21 VAL 72 4.789 10.574 -2.893 622 HG22 VAL 72 HG22 VAL 72 4.257 10.056 -4.494 623 HG23 VAL 72 HG23 VAL 72 5.222 11.522 -4.316 624 H GLU 73 H GLU 73 6.915 7.754 -2.169 625 HA GLU 73 HA GLU 73 9.494 6.842 -2.765 626 HB2 GLU 73 HB2 GLU 73 8.647 7.504 -0.490 627 HB3 GLU 73 HB1 GLU 73 7.792 5.970 -0.419 628 HG2 GLU 73 HG2 GLU 73 10.390 5.264 -1.061 629 HG3 GLU 73 HG1 GLU 73 10.570 6.572 0.108 630 H TYR 74 H TYR 74 6.396 5.239 -2.739 631 HA TYR 74 HA TYR 74 7.244 2.565 -2.819 632 HB2 TYR 74 HB2 TYR 74 4.833 3.640 -2.674 633 HB3 TYR 74 HB1 TYR 74 4.884 3.486 -4.426 634 HD1 TYR 74 HD2 TYR 74 4.983 1.257 -5.469 635 HD2 TYR 74 HD1 TYR 74 4.606 1.721 -1.259 636 HE1 TYR 74 HE2 TYR 74 4.276 -1.092 -5.280 637 HE2 TYR 74 HE1 TYR 74 3.900 -0.625 -1.055 638 HH TYR 74 HH TYR 74 2.813 -2.360 -2.577 639 H ASP 75 H ASP 75 6.934 5.068 -5.252 640 HA ASP 75 HA ASP 75 7.492 3.360 -7.481 641 HB2 ASP 75 HB2 ASP 75 6.642 6.022 -7.110 642 HB3 ASP 75 HB1 ASP 75 8.166 6.120 -7.986 643 H GLN 76 H GLN 76 9.391 5.320 -5.282 644 HA GLN 76 HA GLN 76 11.796 5.339 -6.758 645 HB2 GLN 76 HB2 GLN 76 11.354 5.556 -3.778 646 HB3 GLN 76 HB1 GLN 76 12.863 5.923 -4.603 647 HG2 GLN 76 HG2 GLN 76 10.280 7.320 -5.227 648 HG3 GLN 76 HG1 GLN 76 11.413 7.888 -4.002 649 HE21 GLN 76 HE21 GLN 76 10.637 9.356 -6.269 650 HE22 GLN 76 HE22 GLN 76 12.029 9.585 -7.267 651 H LEU 77 H LEU 77 10.419 3.004 -4.523 652 HA LEU 77 HA LEU 77 12.861 1.404 -4.652 653 HB2 LEU 77 HB2 LEU 77 10.397 0.757 -3.056 654 HB3 LEU 77 HB1 LEU 77 12.026 0.159 -2.819 655 HG LEU 77 HG LEU 77 11.522 3.086 -2.520 656 HD11 LEU 77 HD11 LEU 77 9.780 1.651 -1.241 657 HD12 LEU 77 HD12 LEU 77 10.642 2.932 -0.388 658 HD13 LEU 77 HD13 LEU 77 11.140 1.252 -0.190 659 HD21 LEU 77 HD21 LEU 77 13.228 2.599 -0.645 660 HD22 LEU 77 HD22 LEU 77 13.775 2.563 -2.321 661 HD23 LEU 77 HD23 LEU 77 13.453 1.055 -1.466 662 H THR 78 H THR 78 9.447 1.311 -5.461 663 HA THR 78 HA THR 78 9.781 -1.301 -6.728 664 HB THR 78 HB THR 78 7.153 0.068 -6.777 665 HG1 THR 78 HG1 THR 78 6.821 -0.519 -4.563 666 HG21 THR 78 HG21 THR 78 8.191 -2.658 -6.633 667 HG22 THR 78 HG22 THR 78 6.702 -2.039 -7.346 668 HG23 THR 78 HG23 THR 78 6.789 -2.348 -5.612 669 HA PRO 79 HA PRO 79 10.173 0.629 -10.712 670 HB2 PRO 79 HB2 PRO 79 9.675 -1.532 -12.273 671 HB3 PRO 79 HB1 PRO 79 11.196 -1.310 -11.402 672 HG2 PRO 79 HG2 PRO 79 8.818 -2.975 -10.666 673 HG3 PRO 79 HG1 PRO 79 10.541 -3.378 -10.561 674 HD2 PRO 79 HD2 PRO 79 9.095 -2.588 -8.413 675 HD3 PRO 79 HD1 PRO 79 10.822 -2.217 -8.591 676 H ARG 80 H ARG 80 8.878 1.545 -12.247 677 HA ARG 80 HA ARG 80 6.004 0.929 -12.065 678 HB2 ARG 80 HB2 ARG 80 7.272 3.341 -11.657 679 HB3 ARG 80 HB1 ARG 80 6.729 3.473 -13.324 680 HG2 ARG 80 HG2 ARG 80 4.692 2.424 -11.516 681 HG3 ARG 80 HG1 ARG 80 5.238 4.054 -11.110 682 HD2 ARG 80 HD2 ARG 80 4.063 4.910 -12.789 683 HD3 ARG 80 HD1 ARG 80 4.864 3.844 -13.941 684 HE ARG 80 HE ARG 80 3.023 2.230 -12.809 685 HH11 ARG 80 HH11 ARG 80 2.824 5.391 -14.275 686 HH12 ARG 80 HH12 ARG 80 1.199 5.168 -14.831 687 HH21 ARG 80 HH21 ARG 80 0.885 1.936 -13.538 688 HH22 ARG 80 HH22 ARG 80 0.098 3.208 -14.410 689 H1 ASP 100 H ASP 100 -6.107 13.044 3.599 690 HA ASP 100 HA ASP 100 -6.941 10.796 2.056 691 HB2 ASP 100 HB2 ASP 100 -6.595 13.179 0.613 692 HB3 ASP 100 HB1 ASP 100 -5.144 12.232 0.300 693 H ASP 101 H ASP 101 -5.578 10.646 4.286 694 HA ASP 101 HA ASP 101 -3.183 9.341 3.580 695 HB2 ASP 101 HB2 ASP 101 -2.845 12.094 3.774 696 HB3 ASP 101 HB1 ASP 101 -2.286 11.490 5.331 697 H ASP 102 H ASP 102 -2.487 8.015 5.194 698 HA ASP 102 HA ASP 102 -2.529 6.848 7.145 699 HB2 ASP 102 HB2 ASP 102 -2.850 9.669 8.016 700 HB3 ASP 102 HB1 ASP 102 -3.222 8.424 9.204 701 H ARG 103 H ARG 103 -5.001 7.224 5.504 702 HA ARG 103 HA ARG 103 -6.908 6.339 7.559 703 HB2 ARG 103 HB2 ARG 103 -7.941 7.809 5.177 704 HB3 ARG 103 HB1 ARG 103 -8.630 7.664 6.787 705 HG2 ARG 103 HG2 ARG 103 -6.307 9.055 7.242 706 HG3 ARG 103 HG1 ARG 103 -6.850 9.683 5.685 707 HD2 ARG 103 HD2 ARG 103 -8.859 10.464 6.563 708 HD3 ARG 103 HD1 ARG 103 -8.761 9.414 7.976 709 HE ARG 103 HE ARG 103 -6.648 11.349 7.859 710 HH11 ARG 103 HH11 ARG 103 -9.957 10.813 8.829 711 HH12 ARG 103 HH12 ARG 103 -9.941 12.068 10.023 712 HH21 ARG 103 HH21 ARG 103 -6.625 12.999 9.429 713 HH22 ARG 103 HH22 ARG 103 -8.050 13.308 10.363 714 H TYR 104 H TYR 104 -5.996 6.316 4.145 715 HA TYR 104 HA TYR 104 -7.816 4.486 3.164 716 HB2 TYR 104 HB2 TYR 104 -4.971 5.100 2.415 717 HB3 TYR 104 HB1 TYR 104 -5.884 3.860 1.563 718 HD1 TYR 104 HD2 TYR 104 -8.040 4.528 0.412 719 HD2 TYR 104 HD1 TYR 104 -5.250 7.376 1.897 720 HE1 TYR 104 HE2 TYR 104 -9.041 6.252 -1.029 721 HE2 TYR 104 HE1 TYR 104 -6.244 9.106 0.463 722 HH TYR 104 HH TYR 104 -8.599 9.466 -0.629 723 H LEU 105 H LEU 105 -4.592 3.802 4.520 724 HA LEU 105 HA LEU 105 -4.721 1.017 4.290 725 HB2 LEU 105 HB2 LEU 105 -3.099 2.955 5.821 726 HB3 LEU 105 HB1 LEU 105 -3.143 1.325 6.465 727 HG LEU 105 HG LEU 105 -1.217 1.518 5.065 728 HD11 LEU 105 HD11 LEU 105 -2.575 0.062 3.027 729 HD12 LEU 105 HD12 LEU 105 -3.291 -0.340 4.588 730 HD13 LEU 105 HD13 LEU 105 -1.558 -0.544 4.334 731 HD21 LEU 105 HD21 LEU 105 -1.597 1.994 2.577 732 HD22 LEU 105 HD22 LEU 105 -1.631 3.360 3.691 733 HD23 LEU 105 HD23 LEU 105 -3.140 2.683 3.081 734 H ARG 106 H ARG 106 -5.432 3.075 7.107 735 HA ARG 106 HA ARG 106 -6.251 1.020 8.822 736 HB2 ARG 106 HB2 ARG 106 -5.860 3.686 9.102 737 HB3 ARG 106 HB1 ARG 106 -7.617 3.626 9.107 738 HG2 ARG 106 HG2 ARG 106 -6.704 1.568 10.815 739 HG3 ARG 106 HG1 ARG 106 -5.794 3.027 11.209 740 HD2 ARG 106 HD2 ARG 106 -8.594 3.617 10.804 741 HD3 ARG 106 HD1 ARG 106 -8.376 2.374 12.034 742 HE ARG 106 HE ARG 106 -7.388 3.930 13.410 743 HH11 ARG 106 HH11 ARG 106 -7.767 5.279 10.211 744 HH12 ARG 106 HH12 ARG 106 -7.378 6.890 10.711 745 HH21 ARG 106 HH21 ARG 106 -6.875 6.049 14.065 746 HH22 ARG 106 HH22 ARG 106 -6.869 7.327 12.895 747 H GLU 107 H GLU 107 -7.968 2.775 6.325 748 HA GLU 107 HA GLU 107 -10.594 2.105 7.057 749 HB2 GLU 107 HB2 GLU 107 -9.779 3.784 5.290 750 HB3 GLU 107 HB1 GLU 107 -9.681 2.404 4.205 751 HG2 GLU 107 HG2 GLU 107 -12.219 2.840 5.679 752 HG3 GLU 107 HG1 GLU 107 -11.832 3.924 4.345 753 H ALA 108 H ALA 108 -8.531 0.582 4.570 754 HA ALA 108 HA ALA 108 -10.295 -1.637 4.237 755 HB1 ALA 108 HB1 ALA 108 -7.672 -0.810 3.155 756 HB2 ALA 108 HB2 ALA 108 -9.114 -1.388 2.322 757 HB3 ALA 108 HB3 ALA 108 -8.037 -2.534 3.121 758 H ILE 109 H ILE 109 -7.178 -1.185 5.860 759 HA ILE 109 HA ILE 109 -6.741 -3.798 6.701 760 HB ILE 109 HB ILE 109 -5.951 -1.181 7.976 761 HG12 ILE 109 HG12 ILE 109 -4.338 -3.194 6.398 762 HG13 ILE 109 HG11 ILE 109 -5.034 -1.725 5.722 763 HG21 ILE 109 HG21 ILE 109 -4.267 -2.505 9.237 764 HG22 ILE 109 HG22 ILE 109 -5.097 -3.971 8.718 765 HG23 ILE 109 HG23 ILE 109 -5.932 -2.799 9.738 766 HD11 ILE 109 HD11 ILE 109 -2.921 -1.902 7.853 767 HD12 ILE 109 HD12 ILE 109 -3.672 -0.404 7.301 768 HD13 ILE 109 HD13 ILE 109 -2.710 -1.373 6.184 769 H GLN 110 H GLN 110 -8.243 -1.139 8.558 770 HA GLN 110 HA GLN 110 -8.993 -2.773 10.736 771 HB2 GLN 110 HB2 GLN 110 -8.806 -0.220 10.663 772 HB3 GLN 110 HB1 GLN 110 -10.407 -0.236 9.937 773 HG2 GLN 110 HG2 GLN 110 -11.433 -0.874 11.866 774 HG3 GLN 110 HG1 GLN 110 -10.013 -1.726 12.471 775 HE21 GLN 110 HE21 GLN 110 -8.156 -0.322 13.076 776 HE22 GLN 110 HE22 GLN 110 -8.508 1.177 13.858 777 H GLU 111 H GLU 111 -10.609 -1.889 7.747 778 HA GLU 111 HA GLU 111 -13.193 -2.736 8.338 779 HB2 GLU 111 HB2 GLU 111 -11.601 -2.363 5.877 780 HB3 GLU 111 HB1 GLU 111 -12.966 -3.458 5.726 781 HG2 GLU 111 HG2 GLU 111 -13.735 -1.066 7.125 782 HG3 GLU 111 HG1 GLU 111 -12.994 -0.676 5.575 783 H TYR 112 H TYR 112 -10.381 -4.555 7.256 784 HA TYR 112 HA TYR 112 -11.749 -7.056 7.098 785 HB2 TYR 112 HB2 TYR 112 -9.636 -6.554 5.859 786 HB3 TYR 112 HB1 TYR 112 -8.778 -6.548 7.395 787 HD1 TYR 112 HD1 TYR 112 -8.386 -8.629 8.609 788 HD2 TYR 112 HD2 TYR 112 -10.388 -8.626 4.856 789 HE1 TYR 112 HE1 TYR 112 -8.044 -11.058 8.431 790 HE2 TYR 112 HE2 TYR 112 -10.051 -11.054 4.667 791 HH TYR 112 HH TYR 112 -9.594 -13.022 6.805 792 H ASP 113 H ASP 113 -9.992 -5.290 9.564 793 HA ASP 113 HA ASP 113 -9.672 -7.367 11.428 794 HB2 ASP 113 HB2 ASP 113 -8.977 -4.730 11.361 795 HB3 ASP 113 HB1 ASP 113 -10.292 -4.697 12.533 796 H ASN 114 H ASN 114 -12.395 -5.364 10.555 797 HA ASN 114 HA ASN 114 -14.013 -6.218 12.788 798 HB2 ASN 114 HB2 ASN 114 -14.087 -4.062 11.035 799 HB3 ASN 114 HB1 ASN 114 -15.466 -5.044 10.549 800 HD21 ASN 114 HD21 ASN 114 -16.925 -3.509 11.287 801 HD22 ASN 114 HD22 ASN 114 -17.221 -3.255 12.970 802 H ILE 115 H ILE 115 -13.565 -7.070 9.413 803 HA ILE 115 HA ILE 115 -15.869 -8.763 9.267 804 HB ILE 115 HB ILE 115 -13.443 -8.689 7.472 805 HG12 ILE 115 HG12 ILE 115 -16.093 -7.492 6.768 806 HG13 ILE 115 HG11 ILE 115 -15.005 -6.589 7.818 807 HG21 ILE 115 HG21 ILE 115 -14.820 -9.815 5.839 808 HG22 ILE 115 HG22 ILE 115 -16.191 -9.807 6.946 809 HG23 ILE 115 HG23 ILE 115 -14.760 -10.768 7.322 810 HD11 ILE 115 HD11 ILE 115 -13.673 -6.025 6.127 811 HD12 ILE 115 HD12 ILE 115 -15.013 -6.520 5.092 812 HD13 ILE 115 HD13 ILE 115 -13.703 -7.648 5.438 813 H ALA 116 H ALA 116 -12.447 -9.633 8.901 814 HA ALA 116 HA ALA 116 -11.256 -11.465 9.535 815 HB1 ALA 116 HB1 ALA 116 -11.734 -10.747 11.785 816 HB2 ALA 116 HB2 ALA 116 -11.842 -12.505 11.706 817 HB3 ALA 116 HB3 ALA 116 -13.313 -11.532 11.739 818 H LYS 117 H LYS 117 -12.592 -12.084 7.418 819 HA LYS 117 HA LYS 117 -13.792 -14.706 7.978 820 HB2 LYS 117 HB2 LYS 117 -15.334 -14.399 6.121 821 HB3 LYS 117 HB1 LYS 117 -15.536 -13.106 7.297 822 HG2 LYS 117 HG2 LYS 117 -15.530 -11.843 5.428 823 HG3 LYS 117 HG1 LYS 117 -13.784 -11.916 5.678 824 HD2 LYS 117 HD2 LYS 117 -13.472 -13.450 3.976 825 HD3 LYS 117 HD1 LYS 117 -15.138 -14.027 4.052 826 HE2 LYS 117 HE2 LYS 117 -15.439 -11.381 3.380 827 HE3 LYS 117 HE1 LYS 117 -13.977 -11.840 2.508 828 HZ1 LYS 117 HZ1 LYS 117 -15.330 -13.831 1.729 829 HZ2 LYS 117 HZ2 LYS 117 -15.713 -12.327 1.056 830 HZ3 LYS 117 HZ3 LYS 117 -16.692 -12.984 2.269 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -18.553 9.647 3.079 2 H2 MET 1 HT2 MET 1 -19.827 9.173 2.032 3 H3 MET 1 HT3 MET 1 -18.195 9.028 1.521 4 HA MET 1 HA MET 1 -19.264 7.619 3.861 5 HB2 MET 1 HB2 MET 1 -19.542 7.081 0.957 6 HB3 MET 1 HB1 MET 1 -19.095 5.710 1.962 7 HG2 MET 1 HG2 MET 1 -21.113 6.635 3.423 8 HG3 MET 1 HG1 MET 1 -21.620 7.243 1.848 9 HE1 MET 1 HE1 MET 1 -23.697 5.697 1.026 10 HE2 MET 1 HE2 MET 1 -23.041 4.380 0.054 11 HE3 MET 1 HE3 MET 1 -22.333 5.992 -0.052 12 H ASP 2 H ASP 2 -17.979 5.411 3.835 13 HA ASP 2 HA ASP 2 -15.252 5.639 2.922 14 HB2 ASP 2 HB2 ASP 2 -15.704 6.827 5.306 15 HB3 ASP 2 HB1 ASP 2 -15.395 5.179 5.846 16 H ARG 3 H ARG 3 -16.864 3.782 2.045 17 HA ARG 3 HA ARG 3 -16.030 1.357 3.469 18 HB2 ARG 3 HB2 ARG 3 -18.712 1.682 2.123 19 HB3 ARG 3 HB1 ARG 3 -18.154 0.298 3.054 20 HG2 ARG 3 HG2 ARG 3 -18.196 2.920 4.426 21 HG3 ARG 3 HG1 ARG 3 -19.750 2.162 4.068 22 HD2 ARG 3 HD2 ARG 3 -17.473 0.830 5.529 23 HD3 ARG 3 HD1 ARG 3 -18.864 1.579 6.308 24 HE ARG 3 HE ARG 3 -19.564 -0.427 4.371 25 HH11 ARG 3 HH11 ARG 3 -18.683 0.155 7.697 26 HH12 ARG 3 HH12 ARG 3 -19.433 -1.294 8.279 27 HH21 ARG 3 HH21 ARG 3 -20.552 -2.331 5.135 28 HH22 ARG 3 HH22 ARG 3 -20.494 -2.704 6.825 29 H LYS 4 H LYS 4 -17.122 2.768 0.410 30 HA LYS 4 HA LYS 4 -16.691 0.612 -1.277 31 HB2 LYS 4 HB2 LYS 4 -16.419 3.577 -1.753 32 HB3 LYS 4 HB1 LYS 4 -16.244 2.394 -3.043 33 HG2 LYS 4 HG2 LYS 4 -18.693 2.867 -1.357 34 HG3 LYS 4 HG1 LYS 4 -18.476 3.292 -3.056 35 HD2 LYS 4 HD2 LYS 4 -19.437 1.315 -3.489 36 HD3 LYS 4 HD1 LYS 4 -17.882 0.615 -3.037 37 HE2 LYS 4 HE2 LYS 4 -19.639 -0.516 -1.838 38 HE3 LYS 4 HE1 LYS 4 -18.684 0.438 -0.704 39 HZ1 LYS 4 HZ1 LYS 4 -20.712 1.110 -0.042 40 HZ2 LYS 4 HZ2 LYS 4 -21.453 0.755 -1.520 41 HZ3 LYS 4 HZ3 LYS 4 -20.576 2.189 -1.338 42 H VAL 5 H VAL 5 -14.372 2.820 0.143 43 HA VAL 5 HA VAL 5 -12.161 2.392 -1.469 44 HB VAL 5 HB VAL 5 -12.093 2.604 1.546 45 HG11 VAL 5 HG11 VAL 5 -10.047 2.436 -0.472 46 HG12 VAL 5 HG12 VAL 5 -9.891 2.456 1.284 47 HG13 VAL 5 HG13 VAL 5 -9.947 3.973 0.386 48 HG21 VAL 5 HG21 VAL 5 -12.716 4.579 -0.555 49 HG22 VAL 5 HG22 VAL 5 -11.582 5.104 0.690 50 HG23 VAL 5 HG23 VAL 5 -13.189 4.538 1.143 51 H ALA 6 H ALA 6 -13.425 0.434 1.181 52 HA ALA 6 HA ALA 6 -11.335 -1.508 1.088 53 HB1 ALA 6 HB1 ALA 6 -12.377 -1.450 3.148 54 HB2 ALA 6 HB2 ALA 6 -13.125 -2.863 2.405 55 HB3 ALA 6 HB3 ALA 6 -13.989 -1.327 2.446 56 H ARG 7 H ARG 7 -14.464 -1.122 -0.449 57 HA ARG 7 HA ARG 7 -14.707 -3.774 -1.421 58 HB2 ARG 7 HB2 ARG 7 -15.915 -1.181 -2.389 59 HB3 ARG 7 HB1 ARG 7 -16.357 -2.762 -3.016 60 HG2 ARG 7 HG2 ARG 7 -16.503 -2.502 -0.095 61 HG3 ARG 7 HG1 ARG 7 -17.638 -1.498 -1.001 62 HD2 ARG 7 HD2 ARG 7 -18.484 -3.444 -2.164 63 HD3 ARG 7 HD1 ARG 7 -17.287 -4.470 -1.375 64 HE ARG 7 HE ARG 7 -18.933 -3.090 0.506 65 HH11 ARG 7 HH11 ARG 7 -18.818 -5.851 -1.629 66 HH12 ARG 7 HH12 ARG 7 -19.962 -6.768 -0.708 67 HH21 ARG 7 HH21 ARG 7 -20.439 -4.295 1.717 68 HH22 ARG 7 HH22 ARG 7 -20.883 -5.885 1.192 69 H GLU 8 H GLU 8 -13.285 -0.836 -2.744 70 HA GLU 8 HA GLU 8 -12.732 -1.948 -5.308 71 HB2 GLU 8 HB2 GLU 8 -12.047 0.547 -3.857 72 HB3 GLU 8 HB1 GLU 8 -10.960 0.074 -5.154 73 HG2 GLU 8 HG2 GLU 8 -13.890 0.112 -5.669 74 HG3 GLU 8 HG1 GLU 8 -13.004 1.635 -5.611 75 H PHE 9 H PHE 9 -10.741 -1.348 -2.426 76 HA PHE 9 HA PHE 9 -8.364 -2.444 -3.483 77 HB2 PHE 9 HB2 PHE 9 -8.378 -0.973 -1.516 78 HB3 PHE 9 HB1 PHE 9 -9.246 -2.198 -0.598 79 HD1 PHE 9 HD1 PHE 9 -6.109 -1.787 -2.569 80 HD2 PHE 9 HD2 PHE 9 -8.041 -3.617 0.750 81 HE1 PHE 9 HE1 PHE 9 -3.968 -2.769 -1.870 82 HE2 PHE 9 HE2 PHE 9 -5.902 -4.603 1.457 83 HZ PHE 9 HZ PHE 9 -3.859 -4.179 0.147 84 H ARG 10 H ARG 10 -11.051 -3.820 -1.671 85 HA ARG 10 HA ARG 10 -9.861 -6.399 -1.361 86 HB2 ARG 10 HB2 ARG 10 -11.654 -5.467 0.122 87 HB3 ARG 10 HB1 ARG 10 -12.790 -5.668 -1.205 88 HG2 ARG 10 HG2 ARG 10 -11.227 -8.051 -0.430 89 HG3 ARG 10 HG1 ARG 10 -12.445 -7.486 0.716 90 HD2 ARG 10 HD2 ARG 10 -13.449 -7.501 -2.001 91 HD3 ARG 10 HD1 ARG 10 -12.865 -9.091 -1.514 92 HE ARG 10 HE ARG 10 -14.384 -8.333 0.585 93 HH11 ARG 10 HH11 ARG 10 -14.974 -8.469 -2.851 94 HH12 ARG 10 HH12 ARG 10 -16.669 -8.778 -2.676 95 HH21 ARG 10 HH21 ARG 10 -16.614 -8.739 0.819 96 HH22 ARG 10 HH22 ARG 10 -17.600 -8.930 -0.592 97 H HIS 11 H HIS 11 -12.227 -4.992 -3.602 98 HA HIS 11 HA HIS 11 -12.743 -7.400 -5.006 99 HB2 HIS 11 HB2 HIS 11 -14.231 -5.410 -5.070 100 HB3 HIS 11 HB1 HIS 11 -13.010 -4.555 -6.007 101 HD1 HIS 11 HD1 HIS 11 -15.289 -4.504 -7.620 102 HD2 HIS 11 HD2 HIS 11 -13.139 -8.050 -7.352 103 HE1 HIS 11 HE1 HIS 11 -15.962 -5.852 -9.634 104 HE2 HIS 11 HE2 HIS 11 -14.714 -8.028 -9.404 105 H LYS 12 H LYS 12 -10.466 -4.745 -5.522 106 HA LYS 12 HA LYS 12 -9.469 -5.561 -8.008 107 HB2 LYS 12 HB2 LYS 12 -8.521 -3.815 -5.805 108 HB3 LYS 12 HB1 LYS 12 -7.296 -4.393 -6.926 109 HG2 LYS 12 HG2 LYS 12 -9.740 -3.300 -8.153 110 HG3 LYS 12 HG1 LYS 12 -8.724 -2.146 -7.285 111 HD2 LYS 12 HD2 LYS 12 -7.352 -4.029 -9.112 112 HD3 LYS 12 HD1 LYS 12 -8.343 -2.773 -9.858 113 HE2 LYS 12 HE2 LYS 12 -7.065 -1.218 -8.169 114 HE3 LYS 12 HE1 LYS 12 -5.877 -2.521 -8.201 115 HZ1 LYS 12 HZ1 LYS 12 -6.591 -0.612 -10.268 116 HZ2 LYS 12 HZ2 LYS 12 -6.316 -2.193 -10.801 117 HZ3 LYS 12 HZ3 LYS 12 -5.109 -1.364 -9.954 118 H VAL 13 H VAL 13 -8.089 -6.118 -4.764 119 HA VAL 13 HA VAL 13 -6.009 -7.792 -5.501 120 HB VAL 13 HB VAL 13 -7.642 -8.032 -2.970 121 HG11 VAL 13 HG11 VAL 13 -6.031 -9.887 -3.517 122 HG12 VAL 13 HG12 VAL 13 -5.735 -9.056 -1.991 123 HG13 VAL 13 HG13 VAL 13 -4.737 -8.694 -3.400 124 HG21 VAL 13 HG21 VAL 13 -6.364 -5.776 -3.842 125 HG22 VAL 13 HG22 VAL 13 -5.124 -6.551 -2.855 126 HG23 VAL 13 HG23 VAL 13 -6.698 -6.171 -2.157 127 H ASP 14 H ASP 14 -9.405 -8.530 -4.951 128 HA ASP 14 HA ASP 14 -9.100 -11.360 -5.132 129 HB2 ASP 14 HB2 ASP 14 -11.039 -10.095 -4.061 130 HB3 ASP 14 HB1 ASP 14 -11.630 -9.814 -5.695 131 H PHE 15 H PHE 15 -9.498 -8.777 -7.432 132 HA PHE 15 HA PHE 15 -10.362 -10.371 -9.623 133 HB2 PHE 15 HB2 PHE 15 -10.421 -7.774 -9.296 134 HB3 PHE 15 HB1 PHE 15 -8.798 -7.835 -9.977 135 HD1 PHE 15 HD1 PHE 15 -8.514 -8.981 -12.245 136 HD2 PHE 15 HD2 PHE 15 -12.284 -7.768 -10.682 137 HE1 PHE 15 HE1 PHE 15 -9.466 -9.030 -14.513 138 HE2 PHE 15 HE2 PHE 15 -13.242 -7.816 -12.949 139 HZ PHE 15 HZ PHE 15 -11.833 -8.449 -14.867 140 H LEU 16 H LEU 16 -7.279 -9.525 -8.253 141 HA LEU 16 HA LEU 16 -5.803 -10.656 -10.483 142 HB2 LEU 16 HB2 LEU 16 -4.487 -9.851 -7.937 143 HB3 LEU 16 HB1 LEU 16 -3.910 -9.698 -9.585 144 HG LEU 16 HG LEU 16 -6.217 -8.030 -8.637 145 HD11 LEU 16 HD11 LEU 16 -3.522 -6.840 -8.527 146 HD12 LEU 16 HD12 LEU 16 -3.927 -7.969 -7.235 147 HD13 LEU 16 HD13 LEU 16 -4.937 -6.551 -7.515 148 HD21 LEU 16 HD21 LEU 16 -5.836 -7.992 -10.991 149 HD22 LEU 16 HD22 LEU 16 -4.105 -7.753 -10.766 150 HD23 LEU 16 HD23 LEU 16 -5.235 -6.472 -10.330 151 H ILE 17 H ILE 17 -6.133 -11.262 -7.004 152 HA ILE 17 HA ILE 17 -4.800 -13.821 -7.225 153 HB ILE 17 HB ILE 17 -6.246 -12.863 -4.783 154 HG12 ILE 17 HG12 ILE 17 -3.470 -12.084 -5.666 155 HG13 ILE 17 HG11 ILE 17 -4.853 -11.007 -5.517 156 HG21 ILE 17 HG21 ILE 17 -3.641 -14.232 -4.659 157 HG22 ILE 17 HG22 ILE 17 -4.989 -15.181 -5.285 158 HG23 ILE 17 HG23 ILE 17 -5.093 -14.454 -3.682 159 HD11 ILE 17 HD11 ILE 17 -3.872 -10.549 -3.540 160 HD12 ILE 17 HD12 ILE 17 -3.083 -12.123 -3.442 161 HD13 ILE 17 HD13 ILE 17 -4.790 -11.965 -3.030 162 H GLU 18 H GLU 18 -7.935 -12.768 -5.978 163 HA GLU 18 HA GLU 18 -9.945 -13.740 -5.946 164 HB2 GLU 18 HB2 GLU 18 -9.740 -14.036 -8.351 165 HB3 GLU 18 HB1 GLU 18 -8.799 -15.503 -8.106 166 HG2 GLU 18 HG2 GLU 18 -10.626 -16.677 -7.289 167 HG3 GLU 18 HG1 GLU 18 -11.565 -15.208 -7.039 168 H ASN 19 H ASN 19 -7.259 -14.933 -4.867 169 HA ASN 19 HA ASN 19 -8.411 -17.431 -3.830 170 HB2 ASN 19 HB2 ASN 19 -5.525 -16.537 -3.941 171 HB3 ASN 19 HB1 ASN 19 -6.083 -18.051 -3.240 172 HD21 ASN 19 HD21 ASN 19 -4.346 -17.308 -5.597 173 HD22 ASN 19 HD22 ASN 19 -4.991 -18.238 -6.904 174 H ASP 20 H ASP 20 -7.916 -17.972 -1.561 175 HA ASP 20 HA ASP 20 -8.256 -15.606 0.110 176 HB2 ASP 20 HB2 ASP 20 -8.813 -18.530 0.476 177 HB3 ASP 20 HB1 ASP 20 -8.682 -17.478 1.883 178 H ALA 21 H ALA 21 -6.132 -18.402 -0.256 179 HA ALA 21 HA ALA 21 -4.555 -18.081 2.009 180 HB1 ALA 21 HB1 ALA 21 -4.017 -20.035 1.006 181 HB2 ALA 21 HB2 ALA 21 -2.740 -19.046 0.297 182 HB3 ALA 21 HB3 ALA 21 -4.210 -19.378 -0.619 183 H GLU 22 H GLU 22 -3.956 -16.829 -1.258 184 HA GLU 22 HA GLU 22 -1.660 -15.349 -0.607 185 HB2 GLU 22 HB2 GLU 22 -3.501 -15.548 -2.880 186 HB3 GLU 22 HB1 GLU 22 -2.785 -13.953 -2.698 187 HG2 GLU 22 HG2 GLU 22 -0.577 -14.857 -2.836 188 HG3 GLU 22 HG1 GLU 22 -1.198 -16.506 -2.793 189 H LYS 23 H LYS 23 -5.078 -14.404 -0.763 190 HA LYS 23 HA LYS 23 -4.694 -11.691 -0.108 191 HB2 LYS 23 HB2 LYS 23 -6.886 -13.394 -0.633 192 HB3 LYS 23 HB1 LYS 23 -7.186 -12.683 0.947 193 HG2 LYS 23 HG2 LYS 23 -6.956 -10.457 0.023 194 HG3 LYS 23 HG1 LYS 23 -6.564 -11.134 -1.559 195 HD2 LYS 23 HD2 LYS 23 -9.103 -11.981 -0.262 196 HD3 LYS 23 HD1 LYS 23 -9.020 -10.354 -0.941 197 HE2 LYS 23 HE2 LYS 23 -9.179 -11.129 -3.024 198 HE3 LYS 23 HE1 LYS 23 -7.907 -12.320 -2.749 199 HZ1 LYS 23 HZ1 LYS 23 -9.395 -13.933 -2.275 200 HZ2 LYS 23 HZ2 LYS 23 -10.407 -12.991 -3.249 201 HZ3 LYS 23 HZ3 LYS 23 -10.511 -12.878 -1.564 202 H ASP 24 H ASP 24 -4.865 -14.592 1.820 203 HA ASP 24 HA ASP 24 -5.310 -13.406 4.331 204 HB2 ASP 24 HB2 ASP 24 -4.465 -16.015 3.316 205 HB3 ASP 24 HB1 ASP 24 -3.700 -15.604 4.849 206 H TYR 25 H TYR 25 -2.280 -14.368 2.717 207 HA TYR 25 HA TYR 25 -0.602 -13.242 4.710 208 HB2 TYR 25 HB2 TYR 25 0.174 -14.998 3.150 209 HB3 TYR 25 HB1 TYR 25 0.034 -13.862 1.813 210 HD1 TYR 25 HD1 TYR 25 1.739 -14.254 5.109 211 HD2 TYR 25 HD2 TYR 25 1.896 -12.631 1.179 212 HE1 TYR 25 HE1 TYR 25 4.046 -13.506 5.516 213 HE2 TYR 25 HE2 TYR 25 4.204 -11.878 1.575 214 HH TYR 25 HH TYR 25 6.169 -12.898 3.491 215 H LEU 26 H LEU 26 -1.765 -12.038 1.576 216 HA LEU 26 HA LEU 26 -0.331 -9.630 1.590 217 HB2 LEU 26 HB2 LEU 26 -1.663 -10.534 -0.339 218 HB3 LEU 26 HB1 LEU 26 -3.123 -10.056 0.506 219 HG LEU 26 HG LEU 26 -2.173 -7.681 0.478 220 HD11 LEU 26 HD11 LEU 26 0.101 -8.836 -0.372 221 HD12 LEU 26 HD12 LEU 26 -0.329 -7.159 -0.708 222 HD13 LEU 26 HD13 LEU 26 -0.623 -8.404 -1.920 223 HD21 LEU 26 HD21 LEU 26 -3.965 -8.773 -1.044 224 HD22 LEU 26 HD22 LEU 26 -2.708 -8.703 -2.281 225 HD23 LEU 26 HD23 LEU 26 -3.268 -7.220 -1.505 226 H TYR 27 H TYR 27 -3.421 -10.549 3.007 227 HA TYR 27 HA TYR 27 -4.102 -8.011 4.035 228 HB2 TYR 27 HB2 TYR 27 -4.979 -10.790 4.458 229 HB3 TYR 27 HB1 TYR 27 -5.146 -9.765 5.877 230 HD1 TYR 27 HD2 TYR 27 -6.154 -7.326 5.242 231 HD2 TYR 27 HD1 TYR 27 -6.834 -10.938 3.098 232 HE1 TYR 27 HE2 TYR 27 -8.233 -6.386 4.328 233 HE2 TYR 27 HE1 TYR 27 -8.914 -10.006 2.177 234 HH TYR 27 HH TYR 27 -9.693 -7.248 1.813 235 H ASP 28 H ASP 28 -1.956 -10.575 5.081 236 HA ASP 28 HA ASP 28 -1.494 -9.552 7.703 237 HB2 ASP 28 HB2 ASP 28 -0.530 -11.755 6.056 238 HB3 ASP 28 HB1 ASP 28 0.768 -11.013 6.988 239 H VAL 29 H VAL 29 -0.042 -9.075 4.518 240 HA VAL 29 HA VAL 29 2.278 -7.714 5.352 241 HB VAL 29 HB VAL 29 0.727 -7.273 2.792 242 HG11 VAL 29 HG11 VAL 29 2.459 -5.566 3.379 243 HG12 VAL 29 HG12 VAL 29 2.762 -6.430 1.871 244 HG13 VAL 29 HG13 VAL 29 3.662 -6.854 3.329 245 HG21 VAL 29 HG21 VAL 29 2.469 -8.891 1.881 246 HG22 VAL 29 HG22 VAL 29 1.179 -9.579 2.865 247 HG23 VAL 29 HG23 VAL 29 2.778 -9.330 3.560 248 H LEU 30 H LEU 30 -0.930 -6.498 4.407 249 HA LEU 30 HA LEU 30 -0.364 -3.769 4.804 250 HB2 LEU 30 HB2 LEU 30 -3.034 -5.138 5.135 251 HB3 LEU 30 HB1 LEU 30 -2.763 -3.436 4.814 252 HG LEU 30 HG LEU 30 -1.750 -5.443 2.850 253 HD11 LEU 30 HD11 LEU 30 -4.607 -4.490 2.965 254 HD12 LEU 30 HD12 LEU 30 -4.064 -6.124 3.345 255 HD13 LEU 30 HD13 LEU 30 -3.881 -5.493 1.709 256 HD21 LEU 30 HD21 LEU 30 -1.229 -3.034 2.643 257 HD22 LEU 30 HD22 LEU 30 -2.956 -2.698 2.529 258 HD23 LEU 30 HD23 LEU 30 -2.161 -3.657 1.282 259 H ARG 31 H ARG 31 -1.479 -6.320 6.944 260 HA ARG 31 HA ARG 31 -2.202 -4.816 9.172 261 HB2 ARG 31 HB2 ARG 31 -1.303 -7.601 8.695 262 HB3 ARG 31 HB1 ARG 31 -1.151 -7.012 10.345 263 HG2 ARG 31 HG2 ARG 31 -3.591 -6.312 10.149 264 HG3 ARG 31 HG1 ARG 31 -3.635 -7.308 8.691 265 HD2 ARG 31 HD2 ARG 31 -4.197 -8.952 10.118 266 HD3 ARG 31 HD1 ARG 31 -2.464 -9.013 10.437 267 HE ARG 31 HE ARG 31 -3.895 -7.154 12.102 268 HH11 ARG 31 HH11 ARG 31 -2.854 -10.465 11.738 269 HH12 ARG 31 HH12 ARG 31 -2.926 -10.806 13.433 270 HH21 ARG 31 HH21 ARG 31 -3.990 -7.600 14.333 271 HH22 ARG 31 HH22 ARG 31 -3.571 -9.179 14.907 272 H MET 32 H MET 32 0.967 -5.995 8.128 273 HA MET 32 HA MET 32 2.406 -5.126 10.400 274 HB2 MET 32 HB2 MET 32 3.109 -5.924 7.611 275 HB3 MET 32 HB1 MET 32 4.322 -5.075 8.560 276 HG2 MET 32 HG2 MET 32 2.929 -7.586 9.452 277 HG3 MET 32 HG1 MET 32 4.496 -7.547 8.646 278 HE1 MET 32 HE1 MET 32 6.851 -7.217 10.154 279 HE2 MET 32 HE2 MET 32 6.783 -5.751 11.131 280 HE3 MET 32 HE3 MET 32 6.238 -5.721 9.454 281 H TYR 33 H TYR 33 1.895 -3.647 7.205 282 HA TYR 33 HA TYR 33 3.330 -1.298 7.616 283 HB2 TYR 33 HB2 TYR 33 2.539 -1.900 5.413 284 HB3 TYR 33 HB1 TYR 33 0.862 -1.796 5.940 285 HD1 TYR 33 HD2 TYR 33 3.644 0.581 6.618 286 HD2 TYR 33 HD1 TYR 33 -0.026 -0.115 4.583 287 HE1 TYR 33 HE2 TYR 33 3.580 2.944 5.938 288 HE2 TYR 33 HE1 TYR 33 -0.101 2.246 3.896 289 HH TYR 33 HH TYR 33 1.782 4.619 5.268 290 H HIS 34 H HIS 34 0.287 -2.299 8.907 291 HA HIS 34 HA HIS 34 -0.580 0.366 9.594 292 HB2 HIS 34 HB2 HIS 34 -2.223 -1.402 9.116 293 HB3 HIS 34 HB1 HIS 34 -1.627 -2.330 10.488 294 HD1 HIS 34 HD1 HIS 34 -2.499 -1.709 12.785 295 HD2 HIS 34 HD2 HIS 34 -3.691 0.942 9.817 296 HE1 HIS 34 HE1 HIS 34 -4.230 -0.234 13.858 297 HE2 HIS 34 HE2 HIS 34 -5.010 1.295 12.014 298 H GLN 35 H GLN 35 0.723 -2.450 11.321 299 HA GLN 35 HA GLN 35 0.792 -1.076 13.838 300 HB2 GLN 35 HB2 GLN 35 0.811 -3.717 13.079 301 HB3 GLN 35 HB1 GLN 35 2.469 -3.461 13.606 302 HG2 GLN 35 HG2 GLN 35 0.037 -2.796 15.249 303 HG3 GLN 35 HG1 GLN 35 0.962 -4.290 15.384 304 HE21 GLN 35 HE21 GLN 35 0.434 -1.828 17.137 305 HE22 GLN 35 HE22 GLN 35 2.003 -1.418 17.730 306 H THR 36 H THR 36 3.402 -2.482 11.867 307 HA THR 36 HA THR 36 5.391 -0.948 13.253 308 HB THR 36 HB THR 36 5.967 -3.160 12.493 309 HG1 THR 36 HG1 THR 36 7.599 -1.500 12.433 310 HG21 THR 36 HG21 THR 36 6.383 -3.425 9.962 311 HG22 THR 36 HG22 THR 36 5.167 -2.159 9.799 312 HG23 THR 36 HG23 THR 36 4.760 -3.675 10.602 313 H MET 37 H MET 37 3.830 -0.752 10.092 314 HA MET 37 HA MET 37 3.709 0.948 8.580 315 HB2 MET 37 HB2 MET 37 3.762 2.234 10.982 316 HB3 MET 37 HB1 MET 37 5.170 2.931 10.195 317 HG2 MET 37 HG2 MET 37 3.895 4.258 8.978 318 HG3 MET 37 HG1 MET 37 2.990 2.881 8.352 319 HE1 MET 37 HE1 MET 37 0.799 2.677 8.462 320 HE2 MET 37 HE2 MET 37 -0.352 3.264 9.662 321 HE3 MET 37 HE3 MET 37 0.664 1.867 10.022 322 H ASP 38 H ASP 38 5.655 -0.782 8.100 323 HA ASP 38 HA ASP 38 8.001 0.862 7.409 324 HB2 ASP 38 HB2 ASP 38 8.152 -1.266 8.969 325 HB3 ASP 38 HB1 ASP 38 8.137 -2.121 7.431 326 H VAL 39 H VAL 39 7.863 1.482 5.356 327 HA VAL 39 HA VAL 39 6.322 0.231 3.369 328 HB VAL 39 HB VAL 39 8.711 1.998 2.858 329 HG11 VAL 39 HG11 VAL 39 6.388 1.059 1.267 330 HG12 VAL 39 HG12 VAL 39 8.057 1.338 0.777 331 HG13 VAL 39 HG13 VAL 39 6.963 2.704 0.997 332 HG21 VAL 39 HG21 VAL 39 5.916 2.707 3.710 333 HG22 VAL 39 HG22 VAL 39 6.964 3.845 2.861 334 HG23 VAL 39 HG23 VAL 39 7.445 3.209 4.433 335 H ALA 40 H ALA 40 9.481 -0.464 4.560 336 HA ALA 40 HA ALA 40 10.450 -1.807 2.228 337 HB1 ALA 40 HB1 ALA 40 11.438 -2.235 5.035 338 HB2 ALA 40 HB2 ALA 40 11.853 -0.799 4.097 339 HB3 ALA 40 HB3 ALA 40 12.328 -2.397 3.521 340 H VAL 41 H VAL 41 8.565 -2.655 5.023 341 HA VAL 41 HA VAL 41 8.846 -5.483 4.688 342 HB VAL 41 HB VAL 41 6.852 -3.890 6.310 343 HG11 VAL 41 HG11 VAL 41 6.367 -5.978 7.477 344 HG12 VAL 41 HG12 VAL 41 7.460 -6.846 6.398 345 HG13 VAL 41 HG13 VAL 41 5.987 -6.116 5.760 346 HG21 VAL 41 HG21 VAL 41 9.268 -5.420 7.259 347 HG22 VAL 41 HG22 VAL 41 8.235 -4.340 8.198 348 HG23 VAL 41 HG23 VAL 41 9.273 -3.687 6.931 349 H LEU 42 H LEU 42 6.493 -3.027 3.777 350 HA LEU 42 HA LEU 42 4.501 -4.780 2.808 351 HB2 LEU 42 HB2 LEU 42 4.979 -1.945 2.903 352 HB3 LEU 42 HB1 LEU 42 4.399 -2.392 1.310 353 HG LEU 42 HG LEU 42 2.986 -3.162 3.859 354 HD11 LEU 42 HD11 LEU 42 1.444 -1.338 3.405 355 HD12 LEU 42 HD12 LEU 42 2.414 -0.843 2.019 356 HD13 LEU 42 HD13 LEU 42 3.078 -0.723 3.648 357 HD21 LEU 42 HD21 LEU 42 1.603 -2.916 1.261 358 HD22 LEU 42 HD22 LEU 42 1.375 -4.082 2.565 359 HD23 LEU 42 HD23 LEU 42 2.716 -4.274 1.435 360 H VAL 43 H VAL 43 7.190 -3.099 1.221 361 HA VAL 43 HA VAL 43 6.623 -4.014 -1.393 362 HB VAL 43 HB VAL 43 9.333 -3.245 -0.303 363 HG11 VAL 43 HG11 VAL 43 8.620 -2.538 -3.050 364 HG12 VAL 43 HG12 VAL 43 8.688 -4.275 -2.752 365 HG13 VAL 43 HG13 VAL 43 10.094 -3.266 -2.409 366 HG21 VAL 43 HG21 VAL 43 7.121 -1.654 -0.202 367 HG22 VAL 43 HG22 VAL 43 7.800 -1.224 -1.771 368 HG23 VAL 43 HG23 VAL 43 8.781 -1.069 -0.314 369 H GLY 44 H GLY 44 8.712 -5.262 1.185 370 HA2 GLY 44 HA2 GLY 44 9.971 -7.302 -0.256 371 HA3 GLY 44 HA1 GLY 44 9.695 -7.315 1.478 372 H ASP 45 H ASP 45 7.102 -7.581 1.847 373 HA ASP 45 HA ASP 45 6.577 -10.269 1.243 374 HB2 ASP 45 HB2 ASP 45 4.744 -8.066 2.197 375 HB3 ASP 45 HB1 ASP 45 4.263 -9.756 2.092 376 H LEU 46 H LEU 46 5.314 -7.277 -0.188 377 HA LEU 46 HA LEU 46 3.414 -8.308 -1.890 378 HB2 LEU 46 HB2 LEU 46 5.179 -5.924 -1.953 379 HB3 LEU 46 HB1 LEU 46 4.381 -6.356 -3.452 380 HG LEU 46 HG LEU 46 2.965 -5.816 -0.840 381 HD11 LEU 46 HD11 LEU 46 2.683 -3.660 -1.435 382 HD12 LEU 46 HD12 LEU 46 2.614 -4.032 -3.158 383 HD13 LEU 46 HD13 LEU 46 4.174 -3.938 -2.337 384 HD21 LEU 46 HD21 LEU 46 1.984 -7.381 -2.711 385 HD22 LEU 46 HD22 LEU 46 1.633 -5.846 -3.503 386 HD23 LEU 46 HD23 LEU 46 0.970 -6.185 -1.904 387 H LYS 47 H LYS 47 6.912 -8.088 -2.403 388 HA LYS 47 HA LYS 47 6.891 -9.079 -5.057 389 HB2 LYS 47 HB2 LYS 47 8.968 -8.735 -2.937 390 HB3 LYS 47 HB1 LYS 47 9.350 -9.727 -4.335 391 HG2 LYS 47 HG2 LYS 47 9.513 -7.961 -5.707 392 HG3 LYS 47 HG1 LYS 47 8.150 -7.123 -4.962 393 HD2 LYS 47 HD2 LYS 47 9.556 -5.811 -3.848 394 HD3 LYS 47 HD1 LYS 47 10.272 -7.224 -3.070 395 HE2 LYS 47 HE2 LYS 47 11.059 -6.299 -5.822 396 HE3 LYS 47 HE1 LYS 47 11.856 -5.724 -4.356 397 HZ1 LYS 47 HZ1 LYS 47 12.140 -8.224 -3.872 398 HZ2 LYS 47 HZ2 LYS 47 13.165 -7.492 -5.000 399 HZ3 LYS 47 HZ3 LYS 47 11.859 -8.426 -5.529 400 H LEU 48 H LEU 48 7.518 -10.655 -1.928 401 HA LEU 48 HA LEU 48 8.039 -13.223 -2.802 402 HB2 LEU 48 HB2 LEU 48 6.865 -12.074 -0.318 403 HB3 LEU 48 HB1 LEU 48 6.748 -13.807 -0.550 404 HG LEU 48 HG LEU 48 9.403 -12.446 -0.820 405 HD11 LEU 48 HD11 LEU 48 9.079 -11.659 1.277 406 HD12 LEU 48 HD12 LEU 48 9.536 -13.308 1.702 407 HD13 LEU 48 HD13 LEU 48 7.834 -12.850 1.654 408 HD21 LEU 48 HD21 LEU 48 9.467 -14.689 -1.496 409 HD22 LEU 48 HD22 LEU 48 8.420 -15.209 -0.176 410 HD23 LEU 48 HD23 LEU 48 10.076 -14.706 0.159 411 H VAL 49 H VAL 49 5.042 -11.487 -2.737 412 HA VAL 49 HA VAL 49 3.521 -13.913 -3.364 413 HB VAL 49 HB VAL 49 2.470 -11.119 -2.900 414 HG11 VAL 49 HG11 VAL 49 1.225 -13.246 -4.086 415 HG12 VAL 49 HG12 VAL 49 0.410 -11.911 -3.274 416 HG13 VAL 49 HG13 VAL 49 0.728 -13.410 -2.403 417 HG21 VAL 49 HG21 VAL 49 1.771 -12.013 -0.677 418 HG22 VAL 49 HG22 VAL 49 3.514 -11.833 -0.871 419 HG23 VAL 49 HG23 VAL 49 2.775 -13.429 -0.990 420 H ILE 50 H ILE 50 4.728 -10.950 -4.720 421 HA ILE 50 HA ILE 50 3.284 -11.431 -7.219 422 HB ILE 50 HB ILE 50 4.935 -9.023 -6.451 423 HG12 ILE 50 HG12 ILE 50 1.958 -8.957 -6.642 424 HG13 ILE 50 HG11 ILE 50 2.684 -9.633 -5.188 425 HG21 ILE 50 HG21 ILE 50 3.318 -8.106 -8.337 426 HG22 ILE 50 HG22 ILE 50 3.379 -9.792 -8.851 427 HG23 ILE 50 HG23 ILE 50 4.868 -8.855 -8.714 428 HD11 ILE 50 HD11 ILE 50 2.929 -6.849 -6.267 429 HD12 ILE 50 HD12 ILE 50 4.017 -7.487 -5.034 430 HD13 ILE 50 HD13 ILE 50 2.286 -7.378 -4.714 431 H ASN 51 H ASN 51 5.649 -12.930 -6.200 432 HA ASN 51 HA ASN 51 8.030 -12.386 -7.427 433 HB2 ASN 51 HB2 ASN 51 6.625 -14.907 -6.706 434 HB3 ASN 51 HB1 ASN 51 8.025 -15.041 -7.765 435 HD21 ASN 51 HD21 ASN 51 9.756 -13.246 -6.872 436 HD22 ASN 51 HD22 ASN 51 10.196 -13.551 -5.229 437 H GLU 52 H GLU 52 5.067 -13.460 -8.911 438 HA GLU 52 HA GLU 52 6.408 -13.746 -11.504 439 HB2 GLU 52 HB2 GLU 52 3.702 -14.613 -10.500 440 HB3 GLU 52 HB1 GLU 52 4.113 -14.628 -12.210 441 HG2 GLU 52 HG2 GLU 52 5.899 -16.008 -10.265 442 HG3 GLU 52 HG1 GLU 52 4.386 -16.772 -10.751 443 HA PRO 53 HA PRO 53 5.088 -9.790 -12.956 444 HB2 PRO 53 HB2 PRO 53 4.424 -11.168 -15.503 445 HB3 PRO 53 HB1 PRO 53 5.487 -9.787 -15.214 446 HG2 PRO 53 HG2 PRO 53 6.495 -12.197 -15.739 447 HG3 PRO 53 HG1 PRO 53 7.263 -11.122 -14.557 448 HD2 PRO 53 HD2 PRO 53 5.545 -13.525 -14.101 449 HD3 PRO 53 HD1 PRO 53 6.973 -12.970 -13.202 450 H SER 54 H SER 54 3.033 -12.594 -13.290 451 HA SER 54 HA SER 54 0.701 -11.404 -14.247 452 HB2 SER 54 HB2 SER 54 -0.467 -13.336 -13.414 453 HB3 SER 54 HB1 SER 54 1.113 -13.869 -13.989 454 HG SER 54 HG SER 54 1.795 -13.680 -11.739 455 H ARG 55 H ARG 55 1.962 -11.623 -10.960 456 HA ARG 55 HA ARG 55 -0.398 -10.339 -9.860 457 HB2 ARG 55 HB2 ARG 55 2.051 -11.613 -8.742 458 HB3 ARG 55 HB1 ARG 55 1.210 -10.431 -7.750 459 HG2 ARG 55 HG2 ARG 55 -0.536 -11.796 -7.365 460 HG3 ARG 55 HG1 ARG 55 -0.494 -12.486 -8.989 461 HD2 ARG 55 HD2 ARG 55 1.852 -13.387 -7.850 462 HD3 ARG 55 HD1 ARG 55 0.702 -13.448 -6.514 463 HE ARG 55 HE ARG 55 -0.622 -14.611 -8.594 464 HH11 ARG 55 HH11 ARG 55 2.442 -15.176 -7.023 465 HH12 ARG 55 HH12 ARG 55 2.436 -16.878 -7.346 466 HH21 ARG 55 HH21 ARG 55 -0.632 -16.848 -9.019 467 HH22 ARG 55 HH22 ARG 55 0.689 -17.827 -8.480 468 H LEU 56 H LEU 56 1.778 -9.033 -11.688 469 HA LEU 56 HA LEU 56 3.163 -7.074 -10.322 470 HB2 LEU 56 HB2 LEU 56 2.103 -7.356 -13.076 471 HB3 LEU 56 HB1 LEU 56 2.591 -5.747 -12.577 472 HG LEU 56 HG LEU 56 4.461 -8.059 -12.211 473 HD11 LEU 56 HD11 LEU 56 5.364 -7.023 -14.503 474 HD12 LEU 56 HD12 LEU 56 3.633 -6.794 -14.750 475 HD13 LEU 56 HD13 LEU 56 4.273 -8.407 -14.439 476 HD21 LEU 56 HD21 LEU 56 4.641 -5.513 -11.404 477 HD22 LEU 56 HD22 LEU 56 5.326 -5.353 -13.022 478 HD23 LEU 56 HD23 LEU 56 6.042 -6.480 -11.868 479 HA PRO 57 HA PRO 57 -0.885 -4.199 -11.255 480 HB2 PRO 57 HB2 PRO 57 -2.916 -5.992 -10.271 481 HB3 PRO 57 HB1 PRO 57 -2.817 -5.193 -11.841 482 HG2 PRO 57 HG2 PRO 57 -2.047 -7.929 -11.079 483 HG3 PRO 57 HG1 PRO 57 -2.443 -7.274 -12.676 484 HD2 PRO 57 HD2 PRO 57 0.067 -7.959 -12.001 485 HD3 PRO 57 HD1 PRO 57 -0.268 -6.585 -13.070 486 H LEU 58 H LEU 58 -0.283 -6.570 -8.712 487 HA LEU 58 HA LEU 58 -1.658 -5.414 -6.604 488 HB2 LEU 58 HB2 LEU 58 0.268 -7.432 -6.918 489 HB3 LEU 58 HB1 LEU 58 0.913 -6.345 -5.706 490 HG LEU 58 HG LEU 58 -1.786 -7.690 -5.588 491 HD11 LEU 58 HD11 LEU 58 0.658 -8.193 -3.905 492 HD12 LEU 58 HD12 LEU 58 0.190 -9.184 -5.284 493 HD13 LEU 58 HD13 LEU 58 -0.868 -9.076 -3.877 494 HD21 LEU 58 HD21 LEU 58 -1.187 -5.327 -4.459 495 HD22 LEU 58 HD22 LEU 58 -0.583 -6.420 -3.212 496 HD23 LEU 58 HD23 LEU 58 -2.269 -6.511 -3.724 497 H PHE 59 H PHE 59 1.386 -4.451 -8.053 498 HA PHE 59 HA PHE 59 2.196 -2.663 -6.011 499 HB2 PHE 59 HB2 PHE 59 2.869 -2.550 -8.958 500 HB3 PHE 59 HB1 PHE 59 3.760 -1.778 -7.651 501 HD1 PHE 59 HD2 PHE 59 3.832 -3.954 -5.658 502 HD2 PHE 59 HD1 PHE 59 4.387 -4.044 -9.877 503 HE1 PHE 59 HE2 PHE 59 5.233 -5.961 -5.426 504 HE2 PHE 59 HE1 PHE 59 5.789 -6.053 -9.653 505 HZ PHE 59 HZ PHE 59 6.214 -7.014 -7.425 506 H ASP 60 H ASP 60 0.541 -2.123 -9.115 507 HA ASP 60 HA ASP 60 0.115 0.661 -8.597 508 HB2 ASP 60 HB2 ASP 60 -0.564 -1.252 -10.754 509 HB3 ASP 60 HB1 ASP 60 -1.643 0.128 -10.578 510 H ALA 61 H ALA 61 -1.513 -2.256 -7.822 511 HA ALA 61 HA ALA 61 -4.141 -1.255 -7.521 512 HB1 ALA 61 HB1 ALA 61 -2.676 -3.709 -6.799 513 HB2 ALA 61 HB2 ALA 61 -4.243 -3.508 -7.585 514 HB3 ALA 61 HB3 ALA 61 -4.107 -3.344 -5.834 515 H ILE 62 H ILE 62 -1.564 -1.889 -5.153 516 HA ILE 62 HA ILE 62 -3.031 -0.775 -2.967 517 HB ILE 62 HB ILE 62 -0.070 -1.309 -3.012 518 HG12 ILE 62 HG12 ILE 62 -2.092 -3.326 -2.089 519 HG13 ILE 62 HG11 ILE 62 -1.662 -3.241 -3.793 520 HG21 ILE 62 HG21 ILE 62 -2.081 -0.682 -0.967 521 HG22 ILE 62 HG22 ILE 62 -0.340 -0.409 -0.972 522 HG23 ILE 62 HG23 ILE 62 -0.980 -1.998 -0.557 523 HD11 ILE 62 HD11 ILE 62 0.225 -4.342 -3.444 524 HD12 ILE 62 HD12 ILE 62 -0.358 -4.662 -1.811 525 HD13 ILE 62 HD13 ILE 62 0.685 -3.274 -2.119 526 H ARG 63 H ARG 63 -0.501 0.438 -5.099 527 HA ARG 63 HA ARG 63 0.447 2.591 -3.750 528 HB2 ARG 63 HB2 ARG 63 1.224 3.452 -5.755 529 HB3 ARG 63 HB1 ARG 63 1.040 1.740 -6.093 530 HG2 ARG 63 HG2 ARG 63 -0.735 2.072 -7.512 531 HG3 ARG 63 HG1 ARG 63 -1.188 3.606 -6.768 532 HD2 ARG 63 HD2 ARG 63 0.732 4.693 -7.747 533 HD3 ARG 63 HD1 ARG 63 1.306 3.158 -8.400 534 HE ARG 63 HE ARG 63 -1.157 3.407 -9.487 535 HH11 ARG 63 HH11 ARG 63 1.614 5.524 -9.348 536 HH12 ARG 63 HH12 ARG 63 1.255 6.297 -10.855 537 HH21 ARG 63 HH21 ARG 63 -1.631 4.425 -11.468 538 HH22 ARG 63 HH22 ARG 63 -0.587 5.674 -12.059 539 HA PRO 64 HA PRO 64 -3.354 5.296 -5.355 540 HB2 PRO 64 HB2 PRO 64 -5.455 3.293 -4.704 541 HB3 PRO 64 HB1 PRO 64 -5.384 4.465 -6.025 542 HG2 PRO 64 HG2 PRO 64 -4.945 1.891 -6.502 543 HG3 PRO 64 HG1 PRO 64 -3.964 3.133 -7.303 544 HD2 PRO 64 HD2 PRO 64 -3.286 1.412 -4.952 545 HD3 PRO 64 HD1 PRO 64 -2.278 1.855 -6.335 546 H LEU 65 H LEU 65 -4.195 2.851 -2.881 547 HA LEU 65 HA LEU 65 -5.214 4.808 -1.074 548 HB2 LEU 65 HB2 LEU 65 -5.310 2.955 0.541 549 HB3 LEU 65 HB1 LEU 65 -6.068 2.563 -0.990 550 HG LEU 65 HG LEU 65 -3.242 1.763 -0.765 551 HD11 LEU 65 HD11 LEU 65 -4.664 1.336 1.495 552 HD12 LEU 65 HD12 LEU 65 -3.370 0.286 0.921 553 HD13 LEU 65 HD13 LEU 65 -5.051 -0.121 0.579 554 HD21 LEU 65 HD21 LEU 65 -4.572 -0.411 -1.548 555 HD22 LEU 65 HD22 LEU 65 -4.148 0.893 -2.656 556 HD23 LEU 65 HD23 LEU 65 -5.772 0.810 -1.971 557 H ILE 66 H ILE 66 -2.085 3.639 -1.806 558 HA ILE 66 HA ILE 66 -0.855 4.134 0.721 559 HB ILE 66 HB ILE 66 0.230 3.715 -2.059 560 HG12 ILE 66 HG12 ILE 66 0.387 2.088 0.486 561 HG13 ILE 66 HG11 ILE 66 -0.655 1.751 -0.893 562 HG21 ILE 66 HG21 ILE 66 1.817 4.248 0.447 563 HG22 ILE 66 HG22 ILE 66 1.776 5.238 -1.013 564 HG23 ILE 66 HG23 ILE 66 2.489 3.625 -1.060 565 HD11 ILE 66 HD11 ILE 66 0.973 0.709 -1.989 566 HD12 ILE 66 HD12 ILE 66 1.838 0.701 -0.452 567 HD13 ILE 66 HD13 ILE 66 2.144 1.977 -1.631 568 HA PRO 67 HA PRO 67 -0.655 8.599 0.811 569 HB2 PRO 67 HB2 PRO 67 2.106 7.985 1.786 570 HB3 PRO 67 HB1 PRO 67 0.902 9.099 2.446 571 HG2 PRO 67 HG2 PRO 67 1.329 6.734 3.589 572 HG3 PRO 67 HG1 PRO 67 -0.309 7.400 3.460 573 HD2 PRO 67 HD2 PRO 67 0.959 5.182 1.942 574 HD3 PRO 67 HD1 PRO 67 -0.745 5.428 2.375 575 H LEU 68 H LEU 68 -0.200 10.003 -0.569 576 HA LEU 68 HA LEU 68 0.952 9.582 -3.002 577 HB2 LEU 68 HB2 LEU 68 0.045 11.790 -1.351 578 HB3 LEU 68 HB1 LEU 68 1.290 12.272 -2.489 579 HG LEU 68 HG LEU 68 -1.336 10.960 -3.150 580 HD11 LEU 68 HD11 LEU 68 -0.979 13.538 -2.529 581 HD12 LEU 68 HD12 LEU 68 -2.149 12.990 -3.729 582 HD13 LEU 68 HD13 LEU 68 -0.574 13.598 -4.244 583 HD21 LEU 68 HD21 LEU 68 -0.589 11.544 -5.531 584 HD22 LEU 68 HD22 LEU 68 0.140 10.133 -4.763 585 HD23 LEU 68 HD23 LEU 68 1.037 11.650 -4.853 586 H LYS 69 H LYS 69 2.523 10.369 0.005 587 HA LYS 69 HA LYS 69 5.037 11.020 -1.301 588 HB2 LYS 69 HB2 LYS 69 5.901 11.356 0.962 589 HB3 LYS 69 HB1 LYS 69 4.398 12.241 0.737 590 HG2 LYS 69 HG2 LYS 69 3.334 10.088 1.782 591 HG3 LYS 69 HG1 LYS 69 4.962 9.854 2.418 592 HD2 LYS 69 HD2 LYS 69 4.843 12.203 3.305 593 HD3 LYS 69 HD1 LYS 69 3.136 12.209 2.854 594 HE2 LYS 69 HE2 LYS 69 4.208 9.995 4.546 595 HE3 LYS 69 HE1 LYS 69 3.865 11.560 5.281 596 HZ1 LYS 69 HZ1 LYS 69 2.058 9.621 5.003 597 HZ2 LYS 69 HZ2 LYS 69 1.768 10.494 3.585 598 HZ3 LYS 69 HZ3 LYS 69 1.660 11.263 5.087 599 H HIS 70 H HIS 70 3.478 8.417 0.417 600 HA HIS 70 HA HIS 70 5.799 6.777 0.655 601 HB2 HIS 70 HB2 HIS 70 2.850 6.265 0.976 602 HB3 HIS 70 HB1 HIS 70 4.035 4.968 1.104 603 HD1 HIS 70 HD1 HIS 70 2.838 5.008 3.616 604 HD2 HIS 70 HD2 HIS 70 5.549 8.015 2.683 605 HE1 HIS 70 HE1 HIS 70 3.564 5.967 5.825 606 HE2 HIS 70 HE2 HIS 70 5.134 7.846 5.231 607 H GLN 71 H GLN 71 3.269 7.198 -1.748 608 HA GLN 71 HA GLN 71 3.800 4.828 -3.208 609 HB2 GLN 71 HB2 GLN 71 2.523 5.814 -4.998 610 HB3 GLN 71 HB1 GLN 71 1.737 6.203 -3.475 611 HG2 GLN 71 HG2 GLN 71 2.469 8.435 -3.552 612 HG3 GLN 71 HG1 GLN 71 3.614 8.099 -4.847 613 HE21 GLN 71 HE21 GLN 71 0.191 7.294 -4.409 614 HE22 GLN 71 HE22 GLN 71 -0.350 8.035 -5.872 615 H VAL 72 H VAL 72 5.141 8.072 -3.257 616 HA VAL 72 HA VAL 72 6.707 7.808 -5.595 617 HB VAL 72 HB VAL 72 7.545 9.465 -3.236 618 HG11 VAL 72 HG11 VAL 72 9.050 9.385 -5.147 619 HG12 VAL 72 HG12 VAL 72 8.346 10.992 -4.974 620 HG13 VAL 72 HG13 VAL 72 7.741 9.894 -6.215 621 HG21 VAL 72 HG21 VAL 72 5.964 11.074 -4.916 622 HG22 VAL 72 HG22 VAL 72 5.628 10.594 -3.253 623 HG23 VAL 72 HG23 VAL 72 5.020 9.622 -4.590 624 H GLU 73 H GLU 73 7.678 7.649 -2.154 625 HA GLU 73 HA GLU 73 10.262 6.657 -2.636 626 HB2 GLU 73 HB2 GLU 73 9.517 7.592 -0.460 627 HB3 GLU 73 HB1 GLU 73 8.510 6.171 -0.213 628 HG2 GLU 73 HG2 GLU 73 10.422 4.753 -0.067 629 HG3 GLU 73 HG1 GLU 73 11.494 6.063 -0.556 630 H TYR 74 H TYR 74 7.153 5.090 -2.302 631 HA TYR 74 HA TYR 74 7.980 2.425 -2.115 632 HB2 TYR 74 HB2 TYR 74 5.646 3.079 -1.791 633 HB3 TYR 74 HB1 TYR 74 5.532 3.585 -3.473 634 HD1 TYR 74 HD1 TYR 74 6.472 0.547 -1.504 635 HD2 TYR 74 HD2 TYR 74 4.521 2.124 -4.940 636 HE1 TYR 74 HE1 TYR 74 5.740 -1.718 -2.123 637 HE2 TYR 74 HE2 TYR 74 3.784 -0.136 -5.567 638 HH TYR 74 HH TYR 74 3.351 -2.339 -4.329 639 H ASP 75 H ASP 75 7.733 4.652 -4.798 640 HA ASP 75 HA ASP 75 8.155 2.697 -6.844 641 HB2 ASP 75 HB2 ASP 75 8.591 5.692 -6.940 642 HB3 ASP 75 HB1 ASP 75 8.484 4.615 -8.330 643 H GLN 76 H GLN 76 10.207 4.964 -5.053 644 HA GLN 76 HA GLN 76 12.591 4.399 -6.467 645 HB2 GLN 76 HB2 GLN 76 12.242 5.388 -3.631 646 HB3 GLN 76 HB1 GLN 76 13.733 5.453 -4.562 647 HG2 GLN 76 HG2 GLN 76 12.326 6.814 -6.255 648 HG3 GLN 76 HG1 GLN 76 11.226 7.040 -4.898 649 HE21 GLN 76 HE21 GLN 76 11.510 9.004 -4.129 650 HE22 GLN 76 HE22 GLN 76 13.030 9.759 -3.802 651 H LEU 77 H LEU 77 10.803 2.582 -4.207 652 HA LEU 77 HA LEU 77 13.096 1.031 -3.319 653 HB2 LEU 77 HB2 LEU 77 10.168 0.820 -2.641 654 HB3 LEU 77 HB1 LEU 77 11.422 -0.191 -1.951 655 HG LEU 77 HG LEU 77 11.632 2.782 -1.694 656 HD11 LEU 77 HD11 LEU 77 10.476 2.260 0.615 657 HD12 LEU 77 HD12 LEU 77 9.684 0.999 -0.329 658 HD13 LEU 77 HD13 LEU 77 9.530 2.689 -0.809 659 HD21 LEU 77 HD21 LEU 77 13.293 0.797 -0.974 660 HD22 LEU 77 HD22 LEU 77 12.304 0.907 0.483 661 HD23 LEU 77 HD23 LEU 77 13.171 2.326 -0.105 662 H THR 78 H THR 78 10.214 0.622 -5.330 663 HA THR 78 HA THR 78 11.096 -2.089 -5.968 664 HB THR 78 HB THR 78 8.703 -1.746 -7.287 665 HG1 THR 78 HG1 THR 78 7.405 -0.561 -6.064 666 HG21 THR 78 HG21 THR 78 7.880 -2.746 -4.901 667 HG22 THR 78 HG22 THR 78 9.605 -3.117 -4.876 668 HG23 THR 78 HG23 THR 78 8.598 -3.690 -6.207 669 HA PRO 79 HA PRO 79 10.676 -0.519 -10.453 670 HB2 PRO 79 HB2 PRO 79 9.820 2.055 -10.848 671 HB3 PRO 79 HB1 PRO 79 8.752 0.648 -10.848 672 HG2 PRO 79 HG2 PRO 79 9.272 2.636 -8.685 673 HG3 PRO 79 HG1 PRO 79 7.752 1.858 -9.155 674 HD2 PRO 79 HD2 PRO 79 9.194 1.061 -6.992 675 HD3 PRO 79 HD1 PRO 79 8.211 -0.054 -7.957 676 H ARG 80 H ARG 80 12.681 -0.230 -11.146 677 HA ARG 80 HA ARG 80 14.649 1.244 -9.838 678 HB2 ARG 80 HB2 ARG 80 14.411 0.009 -12.547 679 HB3 ARG 80 HB1 ARG 80 15.761 1.092 -12.234 680 HG2 ARG 80 HG2 ARG 80 16.547 -1.081 -11.797 681 HG3 ARG 80 HG1 ARG 80 16.285 -0.334 -10.222 682 HD2 ARG 80 HD2 ARG 80 13.988 -1.436 -10.267 683 HD3 ARG 80 HD1 ARG 80 14.595 -2.388 -11.621 684 HE ARG 80 HE ARG 80 15.266 -2.693 -8.842 685 HH11 ARG 80 HH11 ARG 80 16.321 -3.262 -12.120 686 HH12 ARG 80 HH12 ARG 80 17.365 -4.575 -11.688 687 HH21 ARG 80 HH21 ARG 80 16.637 -4.419 -8.273 688 HH22 ARG 80 HH22 ARG 80 17.544 -5.233 -9.505 689 H1 ASP 100 H ASP 100 -6.412 12.343 1.624 690 HA ASP 100 HA ASP 100 -5.593 10.445 0.673 691 HB2 ASP 100 HB2 ASP 100 -4.562 12.513 -0.741 692 HB3 ASP 100 HB1 ASP 100 -3.076 11.723 -0.219 693 H ASP 101 H ASP 101 -4.873 11.033 3.425 694 HA ASP 101 HA ASP 101 -2.163 10.235 3.860 695 HB2 ASP 101 HB2 ASP 101 -4.406 10.094 5.876 696 HB3 ASP 101 HB1 ASP 101 -2.684 10.294 6.186 697 H ASP 102 H ASP 102 -2.565 8.338 5.978 698 HA ASP 102 HA ASP 102 -2.908 5.951 4.349 699 HB2 ASP 102 HB2 ASP 102 -1.932 4.762 6.270 700 HB3 ASP 102 HB1 ASP 102 -0.919 6.111 5.764 701 H ARG 103 H ARG 103 -5.180 7.689 5.439 702 HA ARG 103 HA ARG 103 -6.564 6.243 7.413 703 HB2 ARG 103 HB2 ARG 103 -7.056 8.593 6.712 704 HB3 ARG 103 HB1 ARG 103 -7.759 7.959 5.231 705 HG2 ARG 103 HG2 ARG 103 -9.347 6.648 6.678 706 HG3 ARG 103 HG1 ARG 103 -8.743 7.588 8.044 707 HD2 ARG 103 HD2 ARG 103 -10.197 8.582 5.605 708 HD3 ARG 103 HD1 ARG 103 -10.712 8.671 7.288 709 HE ARG 103 HE ARG 103 -8.400 10.082 7.260 710 HH11 ARG 103 HH11 ARG 103 -11.330 10.237 5.372 711 HH12 ARG 103 HH12 ARG 103 -11.205 11.941 5.089 712 HH21 ARG 103 HH21 ARG 103 -8.236 12.324 6.892 713 HH22 ARG 103 HH22 ARG 103 -9.450 13.126 5.952 714 H TYR 104 H TYR 104 -6.457 5.971 3.913 715 HA TYR 104 HA TYR 104 -8.644 4.263 3.543 716 HB2 TYR 104 HB2 TYR 104 -6.073 4.529 1.978 717 HB3 TYR 104 HB1 TYR 104 -7.449 3.571 1.443 718 HD1 TYR 104 HD1 TYR 104 -9.697 5.338 2.208 719 HD2 TYR 104 HD2 TYR 104 -5.948 6.266 0.424 720 HE1 TYR 104 HE1 TYR 104 -10.689 7.336 1.178 721 HE2 TYR 104 HE2 TYR 104 -6.930 8.269 -0.612 722 HH TYR 104 HH TYR 104 -8.932 9.823 -0.081 723 H LEU 105 H LEU 105 -5.316 3.613 4.473 724 HA LEU 105 HA LEU 105 -5.316 0.832 4.146 725 HB2 LEU 105 HB2 LEU 105 -3.726 2.801 5.673 726 HB3 LEU 105 HB1 LEU 105 -3.656 1.149 6.255 727 HG LEU 105 HG LEU 105 -1.810 1.649 4.728 728 HD11 LEU 105 HD11 LEU 105 -2.074 -0.572 4.527 729 HD12 LEU 105 HD12 LEU 105 -2.666 -0.167 2.915 730 HD13 LEU 105 HD13 LEU 105 -3.807 -0.447 4.231 731 HD21 LEU 105 HD21 LEU 105 -2.655 1.749 2.219 732 HD22 LEU 105 HD22 LEU 105 -2.435 3.207 3.188 733 HD23 LEU 105 HD23 LEU 105 -4.047 2.521 2.981 734 H ARG 106 H ARG 106 -5.996 2.772 7.054 735 HA ARG 106 HA ARG 106 -6.660 0.612 8.723 736 HB2 ARG 106 HB2 ARG 106 -7.743 3.428 8.905 737 HB3 ARG 106 HB1 ARG 106 -7.618 2.257 10.210 738 HG2 ARG 106 HG2 ARG 106 -5.430 2.666 10.552 739 HG3 ARG 106 HG1 ARG 106 -5.098 2.918 8.836 740 HD2 ARG 106 HD2 ARG 106 -4.876 5.069 9.483 741 HD3 ARG 106 HD1 ARG 106 -6.631 5.068 9.326 742 HE ARG 106 HE ARG 106 -6.807 5.265 11.602 743 HH11 ARG 106 HH11 ARG 106 -3.537 4.359 10.787 744 HH12 ARG 106 HH12 ARG 106 -2.939 4.588 12.397 745 HH21 ARG 106 HH21 ARG 106 -6.024 5.567 13.719 746 HH22 ARG 106 HH22 ARG 106 -4.351 5.272 14.062 747 H GLU 107 H GLU 107 -8.519 2.435 6.387 748 HA GLU 107 HA GLU 107 -11.103 1.712 7.166 749 HB2 GLU 107 HB2 GLU 107 -10.201 3.341 5.292 750 HB3 GLU 107 HB1 GLU 107 -10.425 1.933 4.264 751 HG2 GLU 107 HG2 GLU 107 -12.521 3.340 5.900 752 HG3 GLU 107 HG1 GLU 107 -12.377 3.306 4.143 753 H ALA 108 H ALA 108 -9.084 0.217 4.629 754 HA ALA 108 HA ALA 108 -10.822 -2.017 4.310 755 HB1 ALA 108 HB1 ALA 108 -9.130 -1.035 2.634 756 HB2 ALA 108 HB2 ALA 108 -9.323 -2.787 2.705 757 HB3 ALA 108 HB3 ALA 108 -7.940 -2.020 3.487 758 H ILE 109 H ILE 109 -7.885 -1.415 6.152 759 HA ILE 109 HA ILE 109 -7.309 -4.047 6.917 760 HB ILE 109 HB ILE 109 -6.723 -1.390 8.203 761 HG12 ILE 109 HG12 ILE 109 -4.853 -3.447 7.023 762 HG13 ILE 109 HG11 ILE 109 -5.575 -2.148 6.078 763 HG21 ILE 109 HG21 ILE 109 -5.175 -2.592 9.729 764 HG22 ILE 109 HG22 ILE 109 -5.908 -4.110 9.208 765 HG23 ILE 109 HG23 ILE 109 -6.879 -2.906 10.055 766 HD11 ILE 109 HD11 ILE 109 -3.198 -2.071 7.510 767 HD12 ILE 109 HD12 ILE 109 -4.336 -1.113 8.459 768 HD13 ILE 109 HD13 ILE 109 -4.042 -0.713 6.767 769 H GLN 110 H GLN 110 -9.084 -1.530 8.731 770 HA GLN 110 HA GLN 110 -9.887 -3.266 10.810 771 HB2 GLN 110 HB2 GLN 110 -10.734 -0.546 9.894 772 HB3 GLN 110 HB1 GLN 110 -11.717 -1.393 11.078 773 HG2 GLN 110 HG2 GLN 110 -9.325 -1.700 12.221 774 HG3 GLN 110 HG1 GLN 110 -9.031 -0.200 11.343 775 HE21 GLN 110 HE21 GLN 110 -10.513 1.574 11.726 776 HE22 GLN 110 HE22 GLN 110 -11.256 1.736 13.275 777 H GLU 111 H GLU 111 -11.404 -2.296 7.782 778 HA GLU 111 HA GLU 111 -13.943 -3.350 8.177 779 HB2 GLU 111 HB2 GLU 111 -13.209 -2.001 6.197 780 HB3 GLU 111 HB1 GLU 111 -12.382 -3.427 5.587 781 HG2 GLU 111 HG2 GLU 111 -14.416 -3.352 4.439 782 HG3 GLU 111 HG1 GLU 111 -14.625 -4.595 5.671 783 H TYR 112 H TYR 112 -10.952 -4.915 7.196 784 HA TYR 112 HA TYR 112 -12.135 -7.481 6.774 785 HB2 TYR 112 HB2 TYR 112 -9.822 -6.499 5.951 786 HB3 TYR 112 HB1 TYR 112 -9.241 -7.162 7.475 787 HD1 TYR 112 HD2 TYR 112 -11.623 -8.378 4.858 788 HD2 TYR 112 HD1 TYR 112 -8.119 -9.147 7.145 789 HE1 TYR 112 HE2 TYR 112 -11.436 -10.596 3.813 790 HE2 TYR 112 HE1 TYR 112 -7.921 -11.367 6.107 791 HH TYR 112 HH TYR 112 -10.433 -12.738 4.203 792 H ASP 113 H ASP 113 -10.693 -5.772 9.475 793 HA ASP 113 HA ASP 113 -10.360 -7.926 11.238 794 HB2 ASP 113 HB2 ASP 113 -9.542 -5.557 11.577 795 HB3 ASP 113 HB1 ASP 113 -11.191 -5.125 12.017 796 H ASN 114 H ASN 114 -13.169 -6.083 10.275 797 HA ASN 114 HA ASN 114 -14.876 -7.230 12.302 798 HB2 ASN 114 HB2 ASN 114 -15.357 -5.417 9.945 799 HB3 ASN 114 HB1 ASN 114 -16.687 -6.084 10.885 800 HD21 ASN 114 HD21 ASN 114 -15.853 -3.318 10.534 801 HD22 ASN 114 HD22 ASN 114 -15.543 -2.706 12.120 802 H ILE 115 H ILE 115 -14.122 -7.765 8.915 803 HA ILE 115 HA ILE 115 -16.260 -9.560 8.384 804 HB ILE 115 HB ILE 115 -13.591 -9.294 6.993 805 HG12 ILE 115 HG12 ILE 115 -16.168 -8.256 5.893 806 HG13 ILE 115 HG11 ILE 115 -15.355 -7.327 7.149 807 HG21 ILE 115 HG21 ILE 115 -15.943 -11.006 6.517 808 HG22 ILE 115 HG22 ILE 115 -14.249 -11.255 6.092 809 HG23 ILE 115 HG23 ILE 115 -15.263 -10.209 5.098 810 HD11 ILE 115 HD11 ILE 115 -13.693 -8.212 4.878 811 HD12 ILE 115 HD12 ILE 115 -13.676 -6.697 5.780 812 HD13 ILE 115 HD13 ILE 115 -14.906 -6.976 4.547 813 H ALA 116 H ALA 116 -13.016 -9.938 9.654 814 HA ALA 116 HA ALA 116 -13.161 -12.834 9.562 815 HB1 ALA 116 HB1 ALA 116 -11.062 -10.869 10.399 816 HB2 ALA 116 HB2 ALA 116 -11.006 -12.087 9.125 817 HB3 ALA 116 HB3 ALA 116 -10.922 -12.577 10.817 818 H LYS 117 H LYS 117 -15.258 -12.134 11.005 819 HA LYS 117 HA LYS 117 -14.569 -13.069 13.667 820 HB2 LYS 117 HB2 LYS 117 -15.965 -10.444 13.150 821 HB3 LYS 117 HB1 LYS 117 -16.045 -11.281 14.693 822 HG2 LYS 117 HG2 LYS 117 -13.448 -10.499 13.406 823 HG3 LYS 117 HG1 LYS 117 -14.335 -9.439 14.503 824 HD2 LYS 117 HD2 LYS 117 -13.849 -10.700 16.332 825 HD3 LYS 117 HD1 LYS 117 -13.843 -12.211 15.421 826 HE2 LYS 117 HE2 LYS 117 -11.675 -11.592 14.443 827 HE3 LYS 117 HE1 LYS 117 -11.680 -10.107 15.395 828 HZ1 LYS 117 HZ1 LYS 117 -10.494 -12.319 16.205 829 HZ2 LYS 117 HZ2 LYS 117 -12.029 -12.604 16.855 830 HZ3 LYS 117 HZ3 LYS 117 -11.177 -11.210 17.286 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -19.694 5.713 4.438 2 H2 MET 1 HT2 MET 1 -20.851 6.958 4.195 3 H3 MET 1 HT3 MET 1 -19.660 7.117 5.420 4 HA MET 1 HA MET 1 -19.350 7.238 2.509 5 HB2 MET 1 HB2 MET 1 -19.874 9.180 4.251 6 HB3 MET 1 HB1 MET 1 -18.136 9.096 4.503 7 HG2 MET 1 HG2 MET 1 -18.002 10.534 2.812 8 HG3 MET 1 HG1 MET 1 -18.310 9.137 1.782 9 HE1 MET 1 HE1 MET 1 -20.424 8.804 0.350 10 HE2 MET 1 HE2 MET 1 -22.000 9.441 0.817 11 HE3 MET 1 HE3 MET 1 -21.145 8.333 1.890 12 H ASP 2 H ASP 2 -17.317 7.026 1.614 13 HA ASP 2 HA ASP 2 -15.199 6.242 1.359 14 HB2 ASP 2 HB2 ASP 2 -15.038 7.997 3.425 15 HB3 ASP 2 HB1 ASP 2 -14.452 6.530 4.204 16 H ARG 3 H ARG 3 -17.153 4.335 1.786 17 HA ARG 3 HA ARG 3 -15.787 2.340 3.456 18 HB2 ARG 3 HB2 ARG 3 -18.674 2.270 2.579 19 HB3 ARG 3 HB1 ARG 3 -17.894 1.234 3.768 20 HG2 ARG 3 HG2 ARG 3 -17.462 3.785 4.738 21 HG3 ARG 3 HG1 ARG 3 -19.101 3.847 4.086 22 HD2 ARG 3 HD2 ARG 3 -19.330 3.170 6.333 23 HD3 ARG 3 HD1 ARG 3 -19.547 1.711 5.367 24 HE ARG 3 HE ARG 3 -16.846 1.927 6.090 25 HH11 ARG 3 HH11 ARG 3 -19.957 1.314 7.546 26 HH12 ARG 3 HH12 ARG 3 -19.307 0.346 8.825 27 HH21 ARG 3 HH21 ARG 3 -15.989 0.653 7.772 28 HH22 ARG 3 HH22 ARG 3 -17.055 -0.031 8.954 29 H LYS 4 H LYS 4 -17.338 2.948 0.359 30 HA LYS 4 HA LYS 4 -17.141 0.377 -0.730 31 HB2 LYS 4 HB2 LYS 4 -16.968 3.017 -2.195 32 HB3 LYS 4 HB1 LYS 4 -17.361 1.460 -2.910 33 HG2 LYS 4 HG2 LYS 4 -19.014 2.717 -0.739 34 HG3 LYS 4 HG1 LYS 4 -19.299 3.003 -2.457 35 HD2 LYS 4 HD2 LYS 4 -19.228 0.342 -2.503 36 HD3 LYS 4 HD1 LYS 4 -19.747 0.561 -0.831 37 HE2 LYS 4 HE2 LYS 4 -21.679 1.769 -1.502 38 HE3 LYS 4 HE1 LYS 4 -21.098 1.903 -3.161 39 HZ1 LYS 4 HZ1 LYS 4 -22.464 0.156 -3.452 40 HZ2 LYS 4 HZ2 LYS 4 -22.412 -0.320 -1.829 41 HZ3 LYS 4 HZ3 LYS 4 -21.148 -0.736 -2.873 42 H VAL 5 H VAL 5 -14.759 2.921 -0.393 43 HA VAL 5 HA VAL 5 -12.847 2.126 -2.230 44 HB VAL 5 HB VAL 5 -12.252 3.101 0.569 45 HG11 VAL 5 HG11 VAL 5 -10.515 2.245 -1.381 46 HG12 VAL 5 HG12 VAL 5 -10.116 3.326 -0.046 47 HG13 VAL 5 HG13 VAL 5 -10.547 3.992 -1.621 48 HG21 VAL 5 HG21 VAL 5 -13.530 4.848 -0.078 49 HG22 VAL 5 HG22 VAL 5 -13.374 4.465 -1.793 50 HG23 VAL 5 HG23 VAL 5 -12.072 5.310 -0.956 51 H ALA 6 H ALA 6 -13.695 0.746 0.869 52 HA ALA 6 HA ALA 6 -11.460 -1.018 1.044 53 HB1 ALA 6 HB1 ALA 6 -12.359 -0.682 3.122 54 HB2 ALA 6 HB2 ALA 6 -13.150 -2.198 2.689 55 HB3 ALA 6 HB3 ALA 6 -14.017 -0.673 2.521 56 H ARG 7 H ARG 7 -14.796 -1.311 -0.085 57 HA ARG 7 HA ARG 7 -14.670 -4.093 -0.637 58 HB2 ARG 7 HB2 ARG 7 -16.576 -1.925 -1.002 59 HB3 ARG 7 HB1 ARG 7 -16.581 -3.039 -2.362 60 HG2 ARG 7 HG2 ARG 7 -17.552 -4.672 -1.182 61 HG3 ARG 7 HG1 ARG 7 -16.583 -4.345 0.256 62 HD2 ARG 7 HD2 ARG 7 -18.018 -2.549 0.901 63 HD3 ARG 7 HD1 ARG 7 -18.883 -2.616 -0.633 64 HE ARG 7 HE ARG 7 -19.295 -4.291 1.667 65 HH11 ARG 7 HH11 ARG 7 -19.669 -4.043 -1.794 66 HH12 ARG 7 HH12 ARG 7 -20.960 -5.193 -1.863 67 HH21 ARG 7 HH21 ARG 7 -20.994 -5.805 1.579 68 HH22 ARG 7 HH22 ARG 7 -21.713 -6.194 0.052 69 H GLU 8 H GLU 8 -13.943 -1.217 -2.512 70 HA GLU 8 HA GLU 8 -13.643 -2.580 -4.995 71 HB2 GLU 8 HB2 GLU 8 -12.661 0.113 -4.044 72 HB3 GLU 8 HB1 GLU 8 -12.447 -0.471 -5.686 73 HG2 GLU 8 HG2 GLU 8 -15.193 -0.510 -4.588 74 HG3 GLU 8 HG1 GLU 8 -14.487 1.063 -4.952 75 H PHE 9 H PHE 9 -11.324 -1.344 -2.598 76 HA PHE 9 HA PHE 9 -8.996 -2.230 -3.879 77 HB2 PHE 9 HB2 PHE 9 -8.923 -0.644 -2.026 78 HB3 PHE 9 HB1 PHE 9 -9.550 -1.867 -0.924 79 HD1 PHE 9 HD2 PHE 9 -6.743 -1.518 -3.366 80 HD2 PHE 9 HD1 PHE 9 -8.025 -2.838 0.472 81 HE1 PHE 9 HE2 PHE 9 -4.443 -2.219 -2.843 82 HE2 PHE 9 HE1 PHE 9 -5.728 -3.539 1.002 83 HZ PHE 9 HZ PHE 9 -3.934 -3.231 -0.656 84 H ARG 10 H ARG 10 -11.134 -3.822 -1.556 85 HA ARG 10 HA ARG 10 -9.562 -6.188 -1.341 86 HB2 ARG 10 HB2 ARG 10 -11.166 -5.497 0.401 87 HB3 ARG 10 HB1 ARG 10 -12.492 -5.761 -0.723 88 HG2 ARG 10 HG2 ARG 10 -11.335 -8.171 -0.844 89 HG3 ARG 10 HG1 ARG 10 -10.872 -7.705 0.793 90 HD2 ARG 10 HD2 ARG 10 -12.942 -8.012 1.566 91 HD3 ARG 10 HD1 ARG 10 -13.655 -7.104 0.232 92 HE ARG 10 HE ARG 10 -13.029 -9.448 -0.929 93 HH11 ARG 10 HH11 ARG 10 -14.756 -8.670 2.003 94 HH12 ARG 10 HH12 ARG 10 -15.764 -10.077 1.931 95 HH21 ARG 10 HH21 ARG 10 -14.354 -11.298 -1.025 96 HH22 ARG 10 HH22 ARG 10 -15.534 -11.569 0.213 97 H HIS 11 H HIS 11 -12.527 -5.374 -3.147 98 HA HIS 11 HA HIS 11 -12.892 -7.880 -4.342 99 HB2 HIS 11 HB2 HIS 11 -14.538 -5.969 -4.334 100 HB3 HIS 11 HB1 HIS 11 -13.578 -5.222 -5.608 101 HD1 HIS 11 HD1 HIS 11 -16.270 -5.669 -6.533 102 HD2 HIS 11 HD2 HIS 11 -13.512 -8.777 -6.558 103 HE1 HIS 11 HE1 HIS 11 -17.151 -7.336 -8.195 104 HE2 HIS 11 HE2 HIS 11 -15.517 -9.253 -8.120 105 H LYS 12 H LYS 12 -11.024 -5.071 -5.431 106 HA LYS 12 HA LYS 12 -10.283 -6.064 -7.942 107 HB2 LYS 12 HB2 LYS 12 -9.526 -3.862 -6.231 108 HB3 LYS 12 HB1 LYS 12 -8.106 -4.554 -6.999 109 HG2 LYS 12 HG2 LYS 12 -10.425 -4.088 -8.757 110 HG3 LYS 12 HG1 LYS 12 -9.629 -2.650 -8.115 111 HD2 LYS 12 HD2 LYS 12 -8.020 -2.871 -9.634 112 HD3 LYS 12 HD1 LYS 12 -7.605 -4.448 -8.959 113 HE2 LYS 12 HE2 LYS 12 -9.932 -4.231 -10.810 114 HE3 LYS 12 HE1 LYS 12 -8.302 -4.192 -11.480 115 HZ1 LYS 12 HZ1 LYS 12 -8.356 -6.292 -9.678 116 HZ2 LYS 12 HZ2 LYS 12 -8.302 -6.390 -11.365 117 HZ3 LYS 12 HZ3 LYS 12 -9.792 -6.413 -10.566 118 H VAL 13 H VAL 13 -8.490 -6.164 -4.861 119 HA VAL 13 HA VAL 13 -6.298 -7.626 -5.708 120 HB VAL 13 HB VAL 13 -7.630 -7.867 -3.006 121 HG11 VAL 13 HG11 VAL 13 -5.458 -8.509 -2.185 122 HG12 VAL 13 HG12 VAL 13 -4.744 -8.278 -3.781 123 HG13 VAL 13 HG13 VAL 13 -5.908 -9.576 -3.517 124 HG21 VAL 13 HG21 VAL 13 -6.814 -5.864 -2.401 125 HG22 VAL 13 HG22 VAL 13 -6.760 -5.546 -4.135 126 HG23 VAL 13 HG23 VAL 13 -5.311 -6.095 -3.293 127 H ASP 14 H ASP 14 -9.496 -8.737 -4.746 128 HA ASP 14 HA ASP 14 -8.854 -11.508 -4.753 129 HB2 ASP 14 HB2 ASP 14 -10.818 -10.589 -3.565 130 HB3 ASP 14 HB1 ASP 14 -11.547 -10.173 -5.114 131 H PHE 15 H PHE 15 -9.767 -9.206 -7.203 132 HA PHE 15 HA PHE 15 -10.543 -11.089 -9.189 133 HB2 PHE 15 HB2 PHE 15 -10.453 -8.272 -8.941 134 HB3 PHE 15 HB1 PHE 15 -9.478 -8.680 -10.349 135 HD1 PHE 15 HD2 PHE 15 -10.644 -10.580 -11.869 136 HD2 PHE 15 HD1 PHE 15 -12.662 -7.827 -9.327 137 HE1 PHE 15 HE2 PHE 15 -12.689 -10.847 -13.210 138 HE2 PHE 15 HE1 PHE 15 -14.711 -8.089 -10.663 139 HZ PHE 15 HZ PHE 15 -14.727 -9.600 -12.607 140 H LEU 16 H LEU 16 -7.526 -9.679 -8.173 141 HA LEU 16 HA LEU 16 -6.047 -10.690 -10.435 142 HB2 LEU 16 HB2 LEU 16 -4.738 -9.726 -7.935 143 HB3 LEU 16 HB1 LEU 16 -4.219 -9.546 -9.599 144 HG LEU 16 HG LEU 16 -6.621 -8.102 -8.493 145 HD11 LEU 16 HD11 LEU 16 -4.698 -6.198 -8.719 146 HD12 LEU 16 HD12 LEU 16 -3.763 -7.565 -8.110 147 HD13 LEU 16 HD13 LEU 16 -5.162 -6.982 -7.210 148 HD21 LEU 16 HD21 LEU 16 -4.862 -7.575 -10.888 149 HD22 LEU 16 HD22 LEU 16 -6.283 -6.647 -10.407 150 HD23 LEU 16 HD23 LEU 16 -6.461 -8.321 -10.936 151 H ILE 17 H ILE 17 -6.128 -11.368 -6.953 152 HA ILE 17 HA ILE 17 -4.408 -13.644 -7.167 153 HB ILE 17 HB ILE 17 -6.233 -13.015 -4.866 154 HG12 ILE 17 HG12 ILE 17 -4.915 -11.022 -5.426 155 HG13 ILE 17 HG11 ILE 17 -4.410 -11.724 -3.894 156 HG21 ILE 17 HG21 ILE 17 -3.525 -14.215 -4.614 157 HG22 ILE 17 HG22 ILE 17 -4.854 -15.223 -5.189 158 HG23 ILE 17 HG23 ILE 17 -4.961 -14.440 -3.613 159 HD11 ILE 17 HD11 ILE 17 -2.342 -12.108 -4.630 160 HD12 ILE 17 HD12 ILE 17 -2.751 -10.984 -5.926 161 HD13 ILE 17 HD13 ILE 17 -2.909 -12.720 -6.184 162 H GLU 18 H GLU 18 -7.832 -13.293 -6.349 163 HA GLU 18 HA GLU 18 -9.580 -14.666 -6.562 164 HB2 GLU 18 HB2 GLU 18 -7.952 -16.269 -8.494 165 HB3 GLU 18 HB1 GLU 18 -9.700 -16.096 -8.435 166 HG2 GLU 18 HG2 GLU 18 -9.205 -13.597 -8.892 167 HG3 GLU 18 HG1 GLU 18 -7.642 -14.196 -9.446 168 H ASN 19 H ASN 19 -6.856 -15.372 -5.173 169 HA ASN 19 HA ASN 19 -7.561 -18.126 -4.436 170 HB2 ASN 19 HB2 ASN 19 -5.179 -17.334 -5.280 171 HB3 ASN 19 HB1 ASN 19 -4.985 -16.878 -3.590 172 HD21 ASN 19 HD21 ASN 19 -3.584 -18.370 -2.898 173 HD22 ASN 19 HD22 ASN 19 -3.860 -20.075 -2.936 174 H ASP 20 H ASP 20 -6.834 -18.630 -2.071 175 HA ASP 20 HA ASP 20 -8.037 -16.567 -0.366 176 HB2 ASP 20 HB2 ASP 20 -8.773 -19.196 -0.660 177 HB3 ASP 20 HB1 ASP 20 -7.759 -19.253 0.779 178 H ALA 21 H ALA 21 -5.539 -19.107 -0.296 179 HA ALA 21 HA ALA 21 -4.300 -18.360 2.078 180 HB1 ALA 21 HB1 ALA 21 -2.399 -19.630 1.344 181 HB2 ALA 21 HB2 ALA 21 -2.919 -19.516 -0.337 182 HB3 ALA 21 HB3 ALA 21 -3.865 -20.457 0.817 183 H GLU 22 H GLU 22 -3.774 -17.208 -1.211 184 HA GLU 22 HA GLU 22 -1.536 -15.580 -0.649 185 HB2 GLU 22 HB2 GLU 22 -3.541 -15.721 -2.865 186 HB3 GLU 22 HB1 GLU 22 -2.452 -14.343 -2.783 187 HG2 GLU 22 HG2 GLU 22 -1.026 -16.830 -2.457 188 HG3 GLU 22 HG1 GLU 22 -1.956 -16.810 -3.954 189 H LYS 23 H LYS 23 -5.012 -14.855 -0.840 190 HA LYS 23 HA LYS 23 -4.801 -12.100 -0.300 191 HB2 LYS 23 HB2 LYS 23 -6.849 -13.734 -0.976 192 HB3 LYS 23 HB1 LYS 23 -7.185 -13.526 0.737 193 HG2 LYS 23 HG2 LYS 23 -7.010 -11.032 0.322 194 HG3 LYS 23 HG1 LYS 23 -7.048 -11.421 -1.398 195 HD2 LYS 23 HD2 LYS 23 -9.144 -12.452 0.486 196 HD3 LYS 23 HD1 LYS 23 -9.267 -10.846 -0.236 197 HE2 LYS 23 HE2 LYS 23 -9.433 -11.706 -2.403 198 HE3 LYS 23 HE1 LYS 23 -8.796 -13.279 -1.925 199 HZ1 LYS 23 HZ1 LYS 23 -11.435 -12.180 -1.116 200 HZ2 LYS 23 HZ2 LYS 23 -10.828 -13.705 -0.707 201 HZ3 LYS 23 HZ3 LYS 23 -11.187 -13.344 -2.319 202 H ASP 24 H ASP 24 -4.842 -14.915 1.770 203 HA ASP 24 HA ASP 24 -5.324 -13.619 4.221 204 HB2 ASP 24 HB2 ASP 24 -5.300 -16.140 3.723 205 HB3 ASP 24 HB1 ASP 24 -3.551 -16.039 3.905 206 H TYR 25 H TYR 25 -2.276 -14.549 2.628 207 HA TYR 25 HA TYR 25 -0.616 -13.299 4.560 208 HB2 TYR 25 HB2 TYR 25 0.107 -15.108 2.956 209 HB3 TYR 25 HB1 TYR 25 0.091 -13.895 1.679 210 HD1 TYR 25 HD2 TYR 25 1.707 -14.848 4.870 211 HD2 TYR 25 HD1 TYR 25 1.904 -12.397 1.398 212 HE1 TYR 25 HE2 TYR 25 4.011 -14.217 5.454 213 HE2 TYR 25 HE1 TYR 25 4.209 -11.761 1.970 214 HH TYR 25 HH TYR 25 5.608 -12.467 5.018 215 H LEU 26 H LEU 26 -1.881 -12.239 1.419 216 HA LEU 26 HA LEU 26 -0.504 -9.801 1.294 217 HB2 LEU 26 HB2 LEU 26 -2.095 -10.970 -0.437 218 HB3 LEU 26 HB1 LEU 26 -3.348 -10.044 0.363 219 HG LEU 26 HG LEU 26 -0.982 -8.996 -1.178 220 HD11 LEU 26 HD11 LEU 26 -2.425 -8.711 -2.838 221 HD12 LEU 26 HD12 LEU 26 -3.556 -7.864 -1.783 222 HD13 LEU 26 HD13 LEU 26 -3.608 -9.623 -1.901 223 HD21 LEU 26 HD21 LEU 26 -2.890 -7.498 0.611 224 HD22 LEU 26 HD22 LEU 26 -1.848 -6.733 -0.590 225 HD23 LEU 26 HD23 LEU 26 -1.138 -7.608 0.768 226 H TYR 27 H TYR 27 -3.618 -10.664 2.734 227 HA TYR 27 HA TYR 27 -4.231 -8.108 3.751 228 HB2 TYR 27 HB2 TYR 27 -5.212 -10.837 4.121 229 HB3 TYR 27 HB1 TYR 27 -5.266 -9.902 5.611 230 HD1 TYR 27 HD1 TYR 27 -6.006 -7.263 4.877 231 HD2 TYR 27 HD2 TYR 27 -7.305 -10.930 3.154 232 HE1 TYR 27 HE1 TYR 27 -8.078 -6.170 4.128 233 HE2 TYR 27 HE2 TYR 27 -9.379 -9.846 2.397 234 HH TYR 27 HH TYR 27 -10.744 -7.622 3.348 235 H ASP 28 H ASP 28 -2.124 -10.696 4.802 236 HA ASP 28 HA ASP 28 -1.639 -9.666 7.419 237 HB2 ASP 28 HB2 ASP 28 -1.255 -12.068 6.544 238 HB3 ASP 28 HB1 ASP 28 0.254 -11.440 5.889 239 H VAL 29 H VAL 29 -0.227 -9.212 4.224 240 HA VAL 29 HA VAL 29 2.142 -7.910 5.079 241 HB VAL 29 HB VAL 29 0.667 -7.562 2.461 242 HG11 VAL 29 HG11 VAL 29 2.231 -5.807 2.640 243 HG12 VAL 29 HG12 VAL 29 3.010 -7.035 1.644 244 HG13 VAL 29 HG13 VAL 29 3.455 -6.863 3.342 245 HG21 VAL 29 HG21 VAL 29 2.527 -9.656 3.474 246 HG22 VAL 29 HG22 VAL 29 2.611 -9.191 1.775 247 HG23 VAL 29 HG23 VAL 29 1.104 -9.812 2.445 248 H LEU 30 H LEU 30 -0.996 -6.652 3.968 249 HA LEU 30 HA LEU 30 -0.361 -3.926 4.306 250 HB2 LEU 30 HB2 LEU 30 -3.053 -5.294 4.427 251 HB3 LEU 30 HB1 LEU 30 -2.805 -3.565 4.275 252 HG LEU 30 HG LEU 30 -1.543 -5.295 2.216 253 HD11 LEU 30 HD11 LEU 30 -4.508 -4.815 2.419 254 HD12 LEU 30 HD12 LEU 30 -3.669 -6.363 2.323 255 HD13 LEU 30 HD13 LEU 30 -3.689 -5.282 0.929 256 HD21 LEU 30 HD21 LEU 30 -1.716 -2.635 2.550 257 HD22 LEU 30 HD22 LEU 30 -3.156 -2.909 1.569 258 HD23 LEU 30 HD23 LEU 30 -1.573 -3.409 0.972 259 H ARG 31 H ARG 31 -1.668 -6.368 6.464 260 HA ARG 31 HA ARG 31 -2.386 -4.660 8.589 261 HB2 ARG 31 HB2 ARG 31 -2.325 -7.467 8.086 262 HB3 ARG 31 HB1 ARG 31 -1.526 -7.175 9.623 263 HG2 ARG 31 HG2 ARG 31 -3.447 -6.749 10.654 264 HG3 ARG 31 HG1 ARG 31 -3.985 -5.662 9.372 265 HD2 ARG 31 HD2 ARG 31 -5.480 -7.212 8.814 266 HD3 ARG 31 HD1 ARG 31 -4.136 -8.204 8.250 267 HE ARG 31 HE ARG 31 -5.697 -8.585 10.635 268 HH11 ARG 31 HH11 ARG 31 -2.640 -9.229 9.082 269 HH12 ARG 31 HH12 ARG 31 -2.309 -10.635 10.036 270 HH21 ARG 31 HH21 ARG 31 -5.263 -10.432 11.891 271 HH22 ARG 31 HH22 ARG 31 -3.798 -11.319 11.632 272 H MET 32 H MET 32 0.589 -6.469 7.894 273 HA MET 32 HA MET 32 1.978 -5.677 10.223 274 HB2 MET 32 HB2 MET 32 2.484 -7.320 8.008 275 HB3 MET 32 HB1 MET 32 3.734 -6.084 7.954 276 HG2 MET 32 HG2 MET 32 3.758 -6.761 10.586 277 HG3 MET 32 HG1 MET 32 3.345 -8.297 9.827 278 HE1 MET 32 HE1 MET 32 7.391 -6.976 10.596 279 HE2 MET 32 HE2 MET 32 6.215 -7.943 11.485 280 HE3 MET 32 HE3 MET 32 5.894 -6.238 11.166 281 H TYR 33 H TYR 33 1.615 -4.266 7.032 282 HA TYR 33 HA TYR 33 3.584 -2.266 7.242 283 HB2 TYR 33 HB2 TYR 33 2.668 -2.790 5.088 284 HB3 TYR 33 HB1 TYR 33 1.033 -2.429 5.630 285 HD1 TYR 33 HD2 TYR 33 4.047 -0.366 6.277 286 HD2 TYR 33 HD1 TYR 33 0.435 -0.769 4.062 287 HE1 TYR 33 HE2 TYR 33 4.290 1.945 5.469 288 HE2 TYR 33 HE1 TYR 33 0.669 1.539 3.249 289 HH TYR 33 HH TYR 33 1.780 3.622 3.914 290 H HIS 34 H HIS 34 0.250 -2.437 8.316 291 HA HIS 34 HA HIS 34 0.047 0.334 9.000 292 HB2 HIS 34 HB2 HIS 34 -1.952 -0.956 8.478 293 HB3 HIS 34 HB1 HIS 34 -1.630 -2.045 9.822 294 HD1 HIS 34 HD1 HIS 34 -1.787 -0.899 12.263 295 HD2 HIS 34 HD2 HIS 34 -3.474 1.215 9.109 296 HE1 HIS 34 HE1 HIS 34 -3.321 0.786 13.328 297 HE2 HIS 34 HE2 HIS 34 -4.406 1.986 11.397 298 H GLN 35 H GLN 35 1.080 -2.569 10.639 299 HA GLN 35 HA GLN 35 1.027 -1.413 13.264 300 HB2 GLN 35 HB2 GLN 35 2.144 -3.966 12.137 301 HB3 GLN 35 HB1 GLN 35 2.424 -3.496 13.807 302 HG2 GLN 35 HG2 GLN 35 -0.339 -3.664 12.662 303 HG3 GLN 35 HG1 GLN 35 0.486 -5.077 13.316 304 HE21 GLN 35 HE21 GLN 35 0.365 -5.435 15.427 305 HE22 GLN 35 HE22 GLN 35 -0.222 -4.314 16.604 306 H THR 36 H THR 36 3.719 -2.589 11.265 307 HA THR 36 HA THR 36 5.673 -1.214 12.818 308 HB THR 36 HB THR 36 6.310 -3.241 11.704 309 HG1 THR 36 HG1 THR 36 8.180 -2.541 10.803 310 HG21 THR 36 HG21 THR 36 5.404 -3.758 9.750 311 HG22 THR 36 HG22 THR 36 6.586 -2.670 9.021 312 HG23 THR 36 HG23 THR 36 4.972 -2.081 9.420 313 H MET 37 H MET 37 3.791 -0.390 10.017 314 HA MET 37 HA MET 37 3.599 1.537 8.816 315 HB2 MET 37 HB2 MET 37 4.050 2.366 11.374 316 HB3 MET 37 HB1 MET 37 5.380 3.144 10.528 317 HG2 MET 37 HG2 MET 37 3.812 4.765 10.327 318 HG3 MET 37 HG1 MET 37 3.458 3.844 8.867 319 HE1 MET 37 HE1 MET 37 -0.108 3.162 9.098 320 HE2 MET 37 HE2 MET 37 1.215 2.041 8.777 321 HE3 MET 37 HE3 MET 37 1.301 3.699 8.183 322 H ASP 38 H ASP 38 5.731 -0.322 8.274 323 HA ASP 38 HA ASP 38 7.781 1.492 7.187 324 HB2 ASP 38 HB2 ASP 38 8.421 -0.369 8.869 325 HB3 ASP 38 HB1 ASP 38 8.169 -1.469 7.517 326 H VAL 39 H VAL 39 7.478 1.892 5.107 327 HA VAL 39 HA VAL 39 5.849 0.333 3.403 328 HB VAL 39 HB VAL 39 7.955 2.292 2.495 329 HG11 VAL 39 HG11 VAL 39 6.982 2.227 0.476 330 HG12 VAL 39 HG12 VAL 39 5.355 2.172 1.151 331 HG13 VAL 39 HG13 VAL 39 6.309 0.694 1.027 332 HG21 VAL 39 HG21 VAL 39 5.716 3.775 2.546 333 HG22 VAL 39 HG22 VAL 39 6.880 3.730 3.870 334 HG23 VAL 39 HG23 VAL 39 5.421 2.741 3.944 335 H ALA 40 H ALA 40 9.185 0.124 4.271 336 HA ALA 40 HA ALA 40 10.068 -1.303 1.958 337 HB1 ALA 40 HB1 ALA 40 11.211 -0.543 4.576 338 HB2 ALA 40 HB2 ALA 40 11.902 -0.426 2.957 339 HB3 ALA 40 HB3 ALA 40 11.898 -1.973 3.803 340 H VAL 41 H VAL 41 8.516 -2.117 4.946 341 HA VAL 41 HA VAL 41 9.130 -4.913 4.817 342 HB VAL 41 HB VAL 41 7.093 -3.427 6.482 343 HG11 VAL 41 HG11 VAL 41 7.730 -6.301 6.219 344 HG12 VAL 41 HG12 VAL 41 6.230 -5.509 6.702 345 HG13 VAL 41 HG13 VAL 41 7.547 -5.685 7.861 346 HG21 VAL 41 HG21 VAL 41 9.603 -4.640 7.546 347 HG22 VAL 41 HG22 VAL 41 8.655 -3.290 8.168 348 HG23 VAL 41 HG23 VAL 41 9.669 -3.072 6.741 349 H LEU 42 H LEU 42 6.334 -2.872 4.075 350 HA LEU 42 HA LEU 42 4.580 -4.957 3.366 351 HB2 LEU 42 HB2 LEU 42 3.107 -3.323 2.706 352 HB3 LEU 42 HB1 LEU 42 4.130 -2.430 3.812 353 HG LEU 42 HG LEU 42 5.443 -1.799 1.625 354 HD11 LEU 42 HD11 LEU 42 3.539 -3.385 0.483 355 HD12 LEU 42 HD12 LEU 42 4.462 -2.140 -0.357 356 HD13 LEU 42 HD13 LEU 42 2.854 -1.776 0.268 357 HD21 LEU 42 HD21 LEU 42 4.374 0.246 1.661 358 HD22 LEU 42 HD22 LEU 42 3.962 -0.404 3.248 359 HD23 LEU 42 HD23 LEU 42 2.786 -0.469 1.934 360 H VAL 43 H VAL 43 6.925 -3.087 1.500 361 HA VAL 43 HA VAL 43 6.202 -4.127 -1.038 362 HB VAL 43 HB VAL 43 8.895 -3.056 -0.176 363 HG11 VAL 43 HG11 VAL 43 8.024 -2.633 -2.931 364 HG12 VAL 43 HG12 VAL 43 8.245 -4.332 -2.515 365 HG13 VAL 43 HG13 VAL 43 9.574 -3.192 -2.304 366 HG21 VAL 43 HG21 VAL 43 8.148 -0.939 -0.403 367 HG22 VAL 43 HG22 VAL 43 6.586 -1.671 -0.035 368 HG23 VAL 43 HG23 VAL 43 7.040 -1.356 -1.709 369 H GLY 44 H GLY 44 8.563 -5.105 1.411 370 HA2 GLY 44 HA2 GLY 44 9.907 -7.085 -0.016 371 HA3 GLY 44 HA1 GLY 44 9.680 -7.085 1.727 372 H ASP 45 H ASP 45 7.063 -7.467 2.102 373 HA ASP 45 HA ASP 45 6.722 -10.220 1.549 374 HB2 ASP 45 HB2 ASP 45 4.815 -8.124 2.599 375 HB3 ASP 45 HB1 ASP 45 4.396 -9.831 2.466 376 H LEU 46 H LEU 46 5.155 -7.311 0.238 377 HA LEU 46 HA LEU 46 3.313 -8.468 -1.449 378 HB2 LEU 46 HB2 LEU 46 4.810 -5.917 -1.425 379 HB3 LEU 46 HB1 LEU 46 4.088 -6.367 -2.957 380 HG LEU 46 HG LEU 46 2.565 -6.134 -0.360 381 HD11 LEU 46 HD11 LEU 46 2.280 -4.227 -2.632 382 HD12 LEU 46 HD12 LEU 46 3.603 -4.015 -1.485 383 HD13 LEU 46 HD13 LEU 46 1.933 -3.999 -0.919 384 HD21 LEU 46 HD21 LEU 46 1.576 -6.382 -3.199 385 HD22 LEU 46 HD22 LEU 46 0.589 -6.281 -1.741 386 HD23 LEU 46 HD23 LEU 46 1.606 -7.694 -2.020 387 H LYS 47 H LYS 47 6.746 -7.833 -2.076 388 HA LYS 47 HA LYS 47 6.770 -8.715 -4.750 389 HB2 LYS 47 HB2 LYS 47 8.792 -8.173 -2.657 390 HB3 LYS 47 HB1 LYS 47 9.295 -9.263 -3.943 391 HG2 LYS 47 HG2 LYS 47 9.515 -7.600 -5.402 392 HG3 LYS 47 HG1 LYS 47 7.953 -6.904 -4.966 393 HD2 LYS 47 HD2 LYS 47 9.418 -5.228 -4.340 394 HD3 LYS 47 HD1 LYS 47 9.206 -6.111 -2.828 395 HE2 LYS 47 HE2 LYS 47 11.292 -7.451 -3.941 396 HE3 LYS 47 HE1 LYS 47 11.581 -5.815 -4.531 397 HZ1 LYS 47 HZ1 LYS 47 12.628 -5.653 -2.552 398 HZ2 LYS 47 HZ2 LYS 47 11.695 -6.856 -1.813 399 HZ3 LYS 47 HZ3 LYS 47 11.070 -5.295 -1.992 400 H LEU 48 H LEU 48 7.601 -10.409 -1.730 401 HA LEU 48 HA LEU 48 8.277 -12.880 -2.770 402 HB2 LEU 48 HB2 LEU 48 7.129 -11.952 -0.186 403 HB3 LEU 48 HB1 LEU 48 7.092 -13.674 -0.515 404 HG LEU 48 HG LEU 48 9.656 -12.138 -0.768 405 HD11 LEU 48 HD11 LEU 48 8.836 -11.591 1.438 406 HD12 LEU 48 HD12 LEU 48 10.159 -12.750 1.564 407 HD13 LEU 48 HD13 LEU 48 8.493 -13.291 1.762 408 HD21 LEU 48 HD21 LEU 48 10.112 -14.216 -1.542 409 HD22 LEU 48 HD22 LEU 48 8.793 -14.963 -0.644 410 HD23 LEU 48 HD23 LEU 48 10.299 -14.555 0.177 411 H VAL 49 H VAL 49 5.168 -11.374 -2.497 412 HA VAL 49 HA VAL 49 3.785 -13.859 -3.201 413 HB VAL 49 HB VAL 49 2.582 -11.145 -2.638 414 HG11 VAL 49 HG11 VAL 49 1.438 -13.319 -3.836 415 HG12 VAL 49 HG12 VAL 49 0.564 -12.061 -2.963 416 HG13 VAL 49 HG13 VAL 49 1.004 -13.558 -2.143 417 HG21 VAL 49 HG21 VAL 49 2.591 -11.533 -0.424 418 HG22 VAL 49 HG22 VAL 49 3.926 -12.624 -0.797 419 HG23 VAL 49 HG23 VAL 49 2.290 -13.259 -0.622 420 H ILE 50 H ILE 50 4.821 -10.811 -4.482 421 HA ILE 50 HA ILE 50 3.331 -11.255 -6.959 422 HB ILE 50 HB ILE 50 4.898 -8.807 -6.150 423 HG12 ILE 50 HG12 ILE 50 1.932 -8.777 -6.243 424 HG13 ILE 50 HG11 ILE 50 2.670 -9.610 -4.878 425 HG21 ILE 50 HG21 ILE 50 3.264 -9.547 -8.511 426 HG22 ILE 50 HG22 ILE 50 4.733 -8.575 -8.405 427 HG23 ILE 50 HG23 ILE 50 3.183 -7.883 -7.931 428 HD11 ILE 50 HD11 ILE 50 4.016 -7.156 -5.169 429 HD12 ILE 50 HD12 ILE 50 2.932 -7.666 -3.875 430 HD13 ILE 50 HD13 ILE 50 2.288 -6.824 -5.284 431 H ASN 51 H ASN 51 5.814 -12.654 -6.047 432 HA ASN 51 HA ASN 51 8.116 -11.950 -7.337 433 HB2 ASN 51 HB2 ASN 51 7.073 -14.315 -6.184 434 HB3 ASN 51 HB1 ASN 51 7.709 -14.763 -7.764 435 HD21 ASN 51 HD21 ASN 51 8.446 -14.143 -4.557 436 HD22 ASN 51 HD22 ASN 51 10.167 -14.078 -4.696 437 H GLU 52 H GLU 52 5.168 -13.153 -8.755 438 HA GLU 52 HA GLU 52 6.429 -13.298 -11.398 439 HB2 GLU 52 HB2 GLU 52 3.645 -14.139 -10.569 440 HB3 GLU 52 HB1 GLU 52 4.401 -14.435 -12.128 441 HG2 GLU 52 HG2 GLU 52 5.786 -15.445 -9.710 442 HG3 GLU 52 HG1 GLU 52 4.317 -16.270 -10.229 443 HA PRO 53 HA PRO 53 4.776 -9.455 -12.780 444 HB2 PRO 53 HB2 PRO 53 3.981 -10.757 -15.312 445 HB3 PRO 53 HB1 PRO 53 5.117 -9.433 -15.034 446 HG2 PRO 53 HG2 PRO 53 5.966 -11.885 -15.700 447 HG3 PRO 53 HG1 PRO 53 6.874 -10.862 -14.572 448 HD2 PRO 53 HD2 PRO 53 5.068 -13.179 -13.998 449 HD3 PRO 53 HD1 PRO 53 6.614 -12.740 -13.243 450 H SER 54 H SER 54 2.801 -12.328 -13.035 451 HA SER 54 HA SER 54 0.379 -11.234 -13.850 452 HB2 SER 54 HB2 SER 54 0.764 -13.495 -11.874 453 HB3 SER 54 HB1 SER 54 -0.675 -13.186 -12.846 454 HG SER 54 HG SER 54 0.430 -13.743 -14.666 455 H ARG 55 H ARG 55 1.820 -11.363 -10.630 456 HA ARG 55 HA ARG 55 -0.524 -10.151 -9.421 457 HB2 ARG 55 HB2 ARG 55 2.071 -11.227 -8.390 458 HB3 ARG 55 HB1 ARG 55 1.097 -10.176 -7.372 459 HG2 ARG 55 HG2 ARG 55 -0.245 -11.851 -6.832 460 HG3 ARG 55 HG1 ARG 55 -0.555 -12.214 -8.531 461 HD2 ARG 55 HD2 ARG 55 2.040 -13.139 -8.008 462 HD3 ARG 55 HD1 ARG 55 1.068 -13.629 -6.622 463 HE ARG 55 HE ARG 55 -0.445 -14.328 -8.774 464 HH11 ARG 55 HH11 ARG 55 2.822 -15.020 -7.761 465 HH12 ARG 55 HH12 ARG 55 2.861 -16.577 -8.519 466 HH21 ARG 55 HH21 ARG 55 -0.396 -16.375 -9.773 467 HH22 ARG 55 HH22 ARG 55 1.035 -17.346 -9.662 468 H LEU 56 H LEU 56 1.471 -8.773 -11.383 469 HA LEU 56 HA LEU 56 2.830 -6.739 -10.062 470 HB2 LEU 56 HB2 LEU 56 1.751 -7.115 -12.802 471 HB3 LEU 56 HB1 LEU 56 2.213 -5.491 -12.336 472 HG LEU 56 HG LEU 56 4.130 -7.764 -11.963 473 HD11 LEU 56 HD11 LEU 56 5.019 -6.797 -14.256 474 HD12 LEU 56 HD12 LEU 56 3.303 -6.467 -14.504 475 HD13 LEU 56 HD13 LEU 56 3.850 -8.116 -14.198 476 HD21 LEU 56 HD21 LEU 56 4.196 -4.810 -11.952 477 HD22 LEU 56 HD22 LEU 56 5.585 -5.631 -12.663 478 HD23 LEU 56 HD23 LEU 56 5.117 -5.973 -10.998 479 HA PRO 57 HA PRO 57 -1.410 -4.164 -10.941 480 HB2 PRO 57 HB2 PRO 57 -2.995 -6.457 -9.846 481 HB3 PRO 57 HB1 PRO 57 -3.487 -5.192 -10.979 482 HG2 PRO 57 HG2 PRO 57 -2.860 -7.620 -11.863 483 HG3 PRO 57 HG1 PRO 57 -2.370 -6.172 -12.763 484 HD2 PRO 57 HD2 PRO 57 -0.733 -8.019 -11.113 485 HD3 PRO 57 HD1 PRO 57 -0.265 -7.046 -12.521 486 H LEU 58 H LEU 58 -0.561 -6.382 -8.340 487 HA LEU 58 HA LEU 58 -1.921 -5.182 -6.227 488 HB2 LEU 58 HB2 LEU 58 0.252 -7.062 -6.546 489 HB3 LEU 58 HB1 LEU 58 0.530 -6.011 -5.170 490 HG LEU 58 HG LEU 58 -1.853 -7.804 -5.621 491 HD11 LEU 58 HD11 LEU 58 -0.297 -8.000 -3.155 492 HD12 LEU 58 HD12 LEU 58 0.603 -8.421 -4.611 493 HD13 LEU 58 HD13 LEU 58 -0.896 -9.266 -4.226 494 HD21 LEU 58 HD21 LEU 58 -1.920 -6.786 -3.024 495 HD22 LEU 58 HD22 LEU 58 -3.023 -6.408 -4.346 496 HD23 LEU 58 HD23 LEU 58 -1.611 -5.391 -4.058 497 H PHE 59 H PHE 59 1.224 -4.378 -7.629 498 HA PHE 59 HA PHE 59 2.011 -2.473 -5.728 499 HB2 PHE 59 HB2 PHE 59 2.676 -2.657 -8.672 500 HB3 PHE 59 HB1 PHE 59 3.501 -1.606 -7.526 501 HD1 PHE 59 HD1 PHE 59 4.094 -3.095 -5.246 502 HD2 PHE 59 HD2 PHE 59 3.937 -4.465 -9.272 503 HE1 PHE 59 HE1 PHE 59 5.641 -4.923 -4.679 504 HE2 PHE 59 HE2 PHE 59 5.484 -6.295 -8.713 505 HZ PHE 59 HZ PHE 59 6.338 -6.526 -6.415 506 H ASP 60 H ASP 60 0.354 -2.020 -8.850 507 HA ASP 60 HA ASP 60 0.001 0.791 -8.439 508 HB2 ASP 60 HB2 ASP 60 -0.050 -0.808 -10.642 509 HB3 ASP 60 HB1 ASP 60 -1.772 -0.560 -10.373 510 H ALA 61 H ALA 61 -1.787 -2.070 -7.692 511 HA ALA 61 HA ALA 61 -4.344 -0.909 -7.368 512 HB1 ALA 61 HB1 ALA 61 -3.045 -3.448 -6.495 513 HB2 ALA 61 HB2 ALA 61 -4.404 -3.200 -7.591 514 HB3 ALA 61 HB3 ALA 61 -4.626 -3.006 -5.853 515 H ILE 62 H ILE 62 -1.804 -1.733 -5.022 516 HA ILE 62 HA ILE 62 -3.219 -0.634 -2.800 517 HB ILE 62 HB ILE 62 -0.282 -1.293 -2.931 518 HG12 ILE 62 HG12 ILE 62 -2.425 -3.157 -1.943 519 HG13 ILE 62 HG11 ILE 62 -1.970 -3.131 -3.644 520 HG21 ILE 62 HG21 ILE 62 -1.939 -1.628 -0.494 521 HG22 ILE 62 HG22 ILE 62 -1.504 0.013 -0.972 522 HG23 ILE 62 HG23 ILE 62 -0.241 -1.178 -0.658 523 HD11 ILE 62 HD11 ILE 62 0.104 -3.469 -1.521 524 HD12 ILE 62 HD12 ILE 62 0.150 -3.951 -3.217 525 HD13 ILE 62 HD13 ILE 62 -0.862 -4.838 -2.075 526 H ARG 63 H ARG 63 -0.692 0.574 -4.934 527 HA ARG 63 HA ARG 63 0.380 2.657 -3.592 528 HB2 ARG 63 HB2 ARG 63 0.614 1.890 -6.084 529 HB3 ARG 63 HB1 ARG 63 -0.541 3.179 -6.387 530 HG2 ARG 63 HG2 ARG 63 1.268 4.456 -4.820 531 HG3 ARG 63 HG1 ARG 63 2.298 3.316 -5.689 532 HD2 ARG 63 HD2 ARG 63 1.480 4.134 -7.810 533 HD3 ARG 63 HD1 ARG 63 0.328 5.189 -6.994 534 HE ARG 63 HE ARG 63 2.019 6.688 -6.606 535 HH11 ARG 63 HH11 ARG 63 3.402 3.647 -7.613 536 HH12 ARG 63 HH12 ARG 63 5.002 4.287 -7.778 537 HH21 ARG 63 HH21 ARG 63 4.121 7.531 -6.822 538 HH22 ARG 63 HH22 ARG 63 5.411 6.493 -7.329 539 HA PRO 64 HA PRO 64 -3.459 5.545 -5.116 540 HB2 PRO 64 HB2 PRO 64 -5.370 3.400 -4.267 541 HB3 PRO 64 HB1 PRO 64 -5.585 4.686 -5.462 542 HG2 PRO 64 HG2 PRO 64 -5.015 2.179 -6.206 543 HG3 PRO 64 HG1 PRO 64 -4.363 3.579 -7.076 544 HD2 PRO 64 HD2 PRO 64 -2.985 1.660 -5.308 545 HD3 PRO 64 HD1 PRO 64 -2.326 2.701 -6.579 546 H LEU 65 H LEU 65 -4.128 3.156 -2.518 547 HA LEU 65 HA LEU 65 -4.955 5.219 -0.712 548 HB2 LEU 65 HB2 LEU 65 -4.884 3.321 0.989 549 HB3 LEU 65 HB1 LEU 65 -6.028 3.189 -0.332 550 HG LEU 65 HG LEU 65 -3.392 1.904 -0.739 551 HD11 LEU 65 HD11 LEU 65 -3.458 0.848 1.234 552 HD12 LEU 65 HD12 LEU 65 -4.744 -0.107 0.496 553 HD13 LEU 65 HD13 LEU 65 -5.146 1.273 1.517 554 HD21 LEU 65 HD21 LEU 65 -5.864 0.415 -1.188 555 HD22 LEU 65 HD22 LEU 65 -4.519 0.738 -2.282 556 HD23 LEU 65 HD23 LEU 65 -5.788 1.942 -2.065 557 H ILE 66 H ILE 66 -1.987 3.526 -1.362 558 HA ILE 66 HA ILE 66 -0.573 4.002 0.981 559 HB ILE 66 HB ILE 66 0.385 3.823 -1.875 560 HG12 ILE 66 HG12 ILE 66 0.648 1.840 0.386 561 HG13 ILE 66 HG11 ILE 66 -0.690 1.827 -0.758 562 HG21 ILE 66 HG21 ILE 66 2.028 5.093 -0.604 563 HG22 ILE 66 HG22 ILE 66 2.641 3.486 -0.996 564 HG23 ILE 66 HG23 ILE 66 2.060 3.833 0.631 565 HD11 ILE 66 HD11 ILE 66 1.799 0.582 -1.011 566 HD12 ILE 66 HD12 ILE 66 1.794 1.907 -2.175 567 HD13 ILE 66 HD13 ILE 66 0.519 0.690 -2.217 568 HA PRO 67 HA PRO 67 -0.178 8.428 1.405 569 HB2 PRO 67 HB2 PRO 67 2.608 7.660 2.159 570 HB3 PRO 67 HB1 PRO 67 1.476 8.738 2.980 571 HG2 PRO 67 HG2 PRO 67 1.901 6.275 3.893 572 HG3 PRO 67 HG1 PRO 67 0.279 6.987 3.918 573 HD2 PRO 67 HD2 PRO 67 1.397 4.887 2.138 574 HD3 PRO 67 HD1 PRO 67 -0.269 5.121 2.705 575 H LEU 68 H LEU 68 0.377 10.001 0.238 576 HA LEU 68 HA LEU 68 1.262 9.811 -2.330 577 HB2 LEU 68 HB2 LEU 68 0.750 11.835 -0.321 578 HB3 LEU 68 HB1 LEU 68 1.953 12.349 -1.488 579 HG LEU 68 HG LEU 68 -0.852 11.433 -2.075 580 HD11 LEU 68 HD11 LEU 68 0.142 14.095 -2.890 581 HD12 LEU 68 HD12 LEU 68 -0.133 13.845 -1.165 582 HD13 LEU 68 HD13 LEU 68 -1.451 13.603 -2.313 583 HD21 LEU 68 HD21 LEU 68 -0.228 12.246 -4.421 584 HD22 LEU 68 HD22 LEU 68 0.390 10.676 -3.907 585 HD23 LEU 68 HD23 LEU 68 1.446 12.088 -3.890 586 H LYS 69 H LYS 69 3.190 10.672 0.547 587 HA LYS 69 HA LYS 69 5.613 10.981 -0.934 588 HB2 LYS 69 HB2 LYS 69 6.703 10.967 1.310 589 HB3 LYS 69 HB1 LYS 69 5.400 12.138 1.168 590 HG2 LYS 69 HG2 LYS 69 4.480 9.575 2.173 591 HG3 LYS 69 HG1 LYS 69 5.732 10.294 3.185 592 HD2 LYS 69 HD2 LYS 69 4.430 12.379 3.281 593 HD3 LYS 69 HD1 LYS 69 3.168 11.623 2.305 594 HE2 LYS 69 HE2 LYS 69 2.476 11.494 4.577 595 HE3 LYS 69 HE1 LYS 69 2.966 9.873 4.084 596 HZ1 LYS 69 HZ1 LYS 69 5.254 10.768 5.064 597 HZ2 LYS 69 HZ2 LYS 69 4.096 9.987 6.018 598 HZ3 LYS 69 HZ3 LYS 69 4.189 11.675 6.014 599 H HIS 70 H HIS 70 4.049 8.373 0.805 600 HA HIS 70 HA HIS 70 6.234 6.565 0.741 601 HB2 HIS 70 HB2 HIS 70 3.261 6.148 1.071 602 HB3 HIS 70 HB1 HIS 70 4.426 4.832 1.147 603 HD1 HIS 70 HD1 HIS 70 3.550 4.515 3.642 604 HD2 HIS 70 HD2 HIS 70 5.624 8.037 2.890 605 HE1 HIS 70 HE1 HIS 70 4.179 5.421 5.903 606 HE2 HIS 70 HE2 HIS 70 5.509 7.504 5.419 607 H GLN 71 H GLN 71 3.734 7.460 -1.514 608 HA GLN 71 HA GLN 71 3.795 5.260 -3.238 609 HB2 GLN 71 HB2 GLN 71 3.240 8.185 -3.707 610 HB3 GLN 71 HB1 GLN 71 3.144 7.002 -5.003 611 HG2 GLN 71 HG2 GLN 71 1.559 5.752 -3.349 612 HG3 GLN 71 HG1 GLN 71 1.397 7.348 -2.617 613 HE21 GLN 71 HE21 GLN 71 -0.835 6.317 -3.554 614 HE22 GLN 71 HE22 GLN 71 -1.313 7.051 -5.042 615 H VAL 72 H VAL 72 5.616 8.313 -3.400 616 HA VAL 72 HA VAL 72 7.211 7.680 -5.607 617 HB VAL 72 HB VAL 72 8.221 9.300 -3.286 618 HG11 VAL 72 HG11 VAL 72 9.472 8.680 -5.550 619 HG12 VAL 72 HG12 VAL 72 9.684 10.237 -4.749 620 HG13 VAL 72 HG13 VAL 72 8.581 10.091 -6.118 621 HG21 VAL 72 HG21 VAL 72 7.124 11.253 -4.568 622 HG22 VAL 72 HG22 VAL 72 6.109 10.254 -3.527 623 HG23 VAL 72 HG23 VAL 72 6.092 10.009 -5.274 624 H GLU 73 H GLU 73 7.938 7.370 -2.122 625 HA GLU 73 HA GLU 73 10.432 6.127 -2.415 626 HB2 GLU 73 HB2 GLU 73 9.467 7.038 -0.274 627 HB3 GLU 73 HB1 GLU 73 8.441 5.612 -0.194 628 HG2 GLU 73 HG2 GLU 73 10.400 4.186 -0.059 629 HG3 GLU 73 HG1 GLU 73 11.451 5.596 -0.195 630 H TYR 74 H TYR 74 7.175 4.870 -2.544 631 HA TYR 74 HA TYR 74 7.761 2.120 -2.421 632 HB2 TYR 74 HB2 TYR 74 5.456 3.329 -2.397 633 HB3 TYR 74 HB1 TYR 74 5.571 3.255 -4.152 634 HD1 TYR 74 HD1 TYR 74 6.260 0.794 -5.032 635 HD2 TYR 74 HD2 TYR 74 4.271 1.654 -1.370 636 HE1 TYR 74 HE1 TYR 74 5.354 -1.491 -4.994 637 HE2 TYR 74 HE2 TYR 74 3.360 -0.629 -1.323 638 HH TYR 74 HH TYR 74 2.868 -2.457 -3.390 639 H ASP 75 H ASP 75 7.908 4.526 -4.946 640 HA ASP 75 HA ASP 75 8.347 2.696 -7.098 641 HB2 ASP 75 HB2 ASP 75 7.675 5.324 -6.978 642 HB3 ASP 75 HB1 ASP 75 9.390 5.449 -7.360 643 H GLN 76 H GLN 76 10.414 4.648 -4.987 644 HA GLN 76 HA GLN 76 12.854 4.033 -6.279 645 HB2 GLN 76 HB2 GLN 76 12.191 4.998 -3.504 646 HB3 GLN 76 HB1 GLN 76 13.846 4.724 -4.028 647 HG2 GLN 76 HG2 GLN 76 13.219 6.286 -5.995 648 HG3 GLN 76 HG1 GLN 76 11.890 6.780 -4.948 649 HE21 GLN 76 HE21 GLN 76 12.292 8.047 -3.196 650 HE22 GLN 76 HE22 GLN 76 13.842 8.721 -2.837 651 H LEU 77 H LEU 77 10.879 2.230 -4.093 652 HA LEU 77 HA LEU 77 13.071 0.429 -3.414 653 HB2 LEU 77 HB2 LEU 77 10.239 0.647 -2.423 654 HB3 LEU 77 HB1 LEU 77 11.312 -0.660 -1.961 655 HG LEU 77 HG LEU 77 12.246 2.138 -1.536 656 HD11 LEU 77 HD11 LEU 77 11.146 2.102 0.705 657 HD12 LEU 77 HD12 LEU 77 10.183 0.736 0.147 658 HD13 LEU 77 HD13 LEU 77 10.037 2.300 -0.652 659 HD21 LEU 77 HD21 LEU 77 13.442 -0.173 -1.083 660 HD22 LEU 77 HD22 LEU 77 12.509 -0.091 0.412 661 HD23 LEU 77 HD23 LEU 77 13.642 1.198 0.008 662 H THR 78 H THR 78 10.294 0.581 -5.486 663 HA THR 78 HA THR 78 9.631 -2.061 -5.832 664 HB THR 78 HB THR 78 9.644 -0.895 -8.420 665 HG1 THR 78 HG1 THR 78 9.186 1.134 -8.108 666 HG21 THR 78 HG21 THR 78 7.136 -0.439 -7.495 667 HG22 THR 78 HG22 THR 78 7.680 -1.735 -6.429 668 HG23 THR 78 HG23 THR 78 7.704 -1.964 -8.178 669 HA PRO 79 HA PRO 79 13.117 -2.323 -9.331 670 HB2 PRO 79 HB2 PRO 79 14.993 -0.434 -7.998 671 HB3 PRO 79 HB1 PRO 79 14.710 -0.713 -9.720 672 HG2 PRO 79 HG2 PRO 79 13.752 1.463 -8.502 673 HG3 PRO 79 HG1 PRO 79 12.829 0.631 -9.767 674 HD2 PRO 79 HD2 PRO 79 12.428 0.622 -6.811 675 HD3 PRO 79 HD1 PRO 79 11.230 0.528 -8.117 676 H ARG 80 H ARG 80 14.803 -3.802 -9.162 677 HA ARG 80 HA ARG 80 15.416 -4.663 -6.422 678 HB2 ARG 80 HB2 ARG 80 14.320 -6.246 -8.101 679 HB3 ARG 80 HB1 ARG 80 15.867 -6.265 -8.936 680 HG2 ARG 80 HG2 ARG 80 16.483 -6.784 -6.268 681 HG3 ARG 80 HG1 ARG 80 15.023 -7.720 -6.599 682 HD2 ARG 80 HD2 ARG 80 16.046 -8.967 -8.263 683 HD3 ARG 80 HD1 ARG 80 17.304 -7.762 -8.532 684 HE ARG 80 HE ARG 80 17.403 -9.940 -6.719 685 HH11 ARG 80 HH11 ARG 80 18.389 -6.613 -7.084 686 HH12 ARG 80 HH12 ARG 80 19.752 -6.769 -6.029 687 HH21 ARG 80 HH21 ARG 80 19.196 -10.149 -5.327 688 HH22 ARG 80 HH22 ARG 80 20.210 -8.777 -5.029 689 H1 ASP 100 H ASP 100 -3.194 13.611 4.452 690 HA ASP 100 HA ASP 100 -5.702 12.177 4.170 691 HB2 ASP 100 HB2 ASP 100 -4.373 13.575 1.839 692 HB3 ASP 100 HB1 ASP 100 -5.643 12.364 1.679 693 H ASP 101 H ASP 101 -3.078 11.559 5.218 694 HA ASP 101 HA ASP 101 -2.224 9.489 3.301 695 HB2 ASP 101 HB2 ASP 101 -0.019 9.566 4.385 696 HB3 ASP 101 HB1 ASP 101 -0.467 11.139 3.737 697 H ASP 102 H ASP 102 -2.063 7.397 3.977 698 HA ASP 102 HA ASP 102 -2.464 5.536 5.218 699 HB2 ASP 102 HB2 ASP 102 -0.689 6.734 6.650 700 HB3 ASP 102 HB1 ASP 102 -2.030 7.187 7.700 701 H ARG 103 H ARG 103 -4.658 7.295 4.530 702 HA ARG 103 HA ARG 103 -6.472 6.954 6.812 703 HB2 ARG 103 HB2 ARG 103 -6.339 9.200 5.779 704 HB3 ARG 103 HB1 ARG 103 -6.884 8.513 4.255 705 HG2 ARG 103 HG2 ARG 103 -9.023 8.521 4.884 706 HG3 ARG 103 HG1 ARG 103 -8.648 7.893 6.491 707 HD2 ARG 103 HD2 ARG 103 -9.199 9.927 7.235 708 HD3 ARG 103 HD1 ARG 103 -7.645 10.448 6.587 709 HE ARG 103 HE ARG 103 -9.654 10.515 4.585 710 HH11 ARG 103 HH11 ARG 103 -8.495 12.237 7.390 711 HH12 ARG 103 HH12 ARG 103 -9.100 13.768 6.856 712 HH21 ARG 103 HH21 ARG 103 -10.452 12.528 3.879 713 HH22 ARG 103 HH22 ARG 103 -10.212 13.934 4.862 714 H TYR 104 H TYR 104 -6.134 6.204 3.371 715 HA TYR 104 HA TYR 104 -8.587 4.754 3.199 716 HB2 TYR 104 HB2 TYR 104 -6.156 4.812 1.403 717 HB3 TYR 104 HB1 TYR 104 -7.641 3.949 1.016 718 HD1 TYR 104 HD1 TYR 104 -9.701 5.190 0.509 719 HD2 TYR 104 HD2 TYR 104 -6.025 7.207 1.232 720 HE1 TYR 104 HE1 TYR 104 -10.637 7.237 -0.480 721 HE2 TYR 104 HE2 TYR 104 -6.952 9.260 0.245 722 HH TYR 104 HH TYR 104 -8.890 9.738 -1.530 723 H LEU 105 H LEU 105 -5.255 3.925 3.912 724 HA LEU 105 HA LEU 105 -5.402 1.147 3.619 725 HB2 LEU 105 HB2 LEU 105 -3.695 2.988 5.237 726 HB3 LEU 105 HB1 LEU 105 -3.596 1.262 5.526 727 HG LEU 105 HG LEU 105 -3.347 2.174 2.710 728 HD11 LEU 105 HD11 LEU 105 -1.977 3.808 3.880 729 HD12 LEU 105 HD12 LEU 105 -0.966 2.661 3.000 730 HD13 LEU 105 HD13 LEU 105 -1.150 2.514 4.747 731 HD21 LEU 105 HD21 LEU 105 -3.271 -0.223 3.581 732 HD22 LEU 105 HD22 LEU 105 -1.683 0.190 4.229 733 HD23 LEU 105 HD23 LEU 105 -1.979 0.283 2.494 734 H ARG 106 H ARG 106 -5.863 3.130 6.541 735 HA ARG 106 HA ARG 106 -6.510 1.049 8.285 736 HB2 ARG 106 HB2 ARG 106 -7.544 3.888 8.371 737 HB3 ARG 106 HB1 ARG 106 -7.483 2.760 9.719 738 HG2 ARG 106 HG2 ARG 106 -5.086 2.795 9.716 739 HG3 ARG 106 HG1 ARG 106 -5.061 3.764 8.241 740 HD2 ARG 106 HD2 ARG 106 -4.763 5.411 9.797 741 HD3 ARG 106 HD1 ARG 106 -6.524 5.400 9.702 742 HE ARG 106 HE ARG 106 -5.467 3.644 11.716 743 HH11 ARG 106 HH11 ARG 106 -6.459 6.914 11.010 744 HH12 ARG 106 HH12 ARG 106 -6.782 7.306 12.665 745 HH21 ARG 106 HH21 ARG 106 -5.893 4.158 13.893 746 HH22 ARG 106 HH22 ARG 106 -6.462 5.742 14.303 747 H GLU 107 H GLU 107 -8.492 2.853 6.014 748 HA GLU 107 HA GLU 107 -11.024 2.083 6.906 749 HB2 GLU 107 HB2 GLU 107 -9.955 2.840 4.199 750 HB3 GLU 107 HB1 GLU 107 -11.638 2.378 4.413 751 HG2 GLU 107 HG2 GLU 107 -10.390 4.535 6.071 752 HG3 GLU 107 HG1 GLU 107 -11.042 4.863 4.467 753 H ALA 108 H ALA 108 -9.106 0.627 4.269 754 HA ALA 108 HA ALA 108 -10.820 -1.618 3.984 755 HB1 ALA 108 HB1 ALA 108 -8.714 -2.548 2.766 756 HB2 ALA 108 HB2 ALA 108 -8.101 -0.907 2.970 757 HB3 ALA 108 HB3 ALA 108 -9.596 -1.185 2.075 758 H ILE 109 H ILE 109 -7.817 -1.049 5.740 759 HA ILE 109 HA ILE 109 -7.239 -3.656 6.528 760 HB ILE 109 HB ILE 109 -6.671 -0.992 7.807 761 HG12 ILE 109 HG12 ILE 109 -4.820 -3.046 6.585 762 HG13 ILE 109 HG11 ILE 109 -5.518 -1.701 5.689 763 HG21 ILE 109 HG21 ILE 109 -6.022 -3.723 8.862 764 HG22 ILE 109 HG22 ILE 109 -6.705 -2.338 9.714 765 HG23 ILE 109 HG23 ILE 109 -5.009 -2.327 9.230 766 HD11 ILE 109 HD11 ILE 109 -3.131 -1.494 6.650 767 HD12 ILE 109 HD12 ILE 109 -3.955 -1.194 8.181 768 HD13 ILE 109 HD13 ILE 109 -4.243 -0.132 6.802 769 H GLN 110 H GLN 110 -9.033 -1.161 8.352 770 HA GLN 110 HA GLN 110 -9.787 -2.861 10.463 771 HB2 GLN 110 HB2 GLN 110 -10.590 -0.184 9.489 772 HB3 GLN 110 HB1 GLN 110 -11.780 -1.024 10.472 773 HG2 GLN 110 HG2 GLN 110 -9.098 -1.118 11.599 774 HG3 GLN 110 HG1 GLN 110 -9.718 0.522 11.402 775 HE21 GLN 110 HE21 GLN 110 -12.171 0.606 12.055 776 HE22 GLN 110 HE22 GLN 110 -12.512 -0.068 13.609 777 H GLU 111 H GLU 111 -11.256 -2.169 7.350 778 HA GLU 111 HA GLU 111 -13.773 -3.278 7.738 779 HB2 GLU 111 HB2 GLU 111 -12.034 -2.726 5.429 780 HB3 GLU 111 HB1 GLU 111 -13.194 -4.021 5.163 781 HG2 GLU 111 HG2 GLU 111 -14.399 -1.706 6.429 782 HG3 GLU 111 HG1 GLU 111 -13.651 -1.318 4.880 783 H TYR 112 H TYR 112 -10.714 -4.812 6.907 784 HA TYR 112 HA TYR 112 -11.793 -7.444 6.696 785 HB2 TYR 112 HB2 TYR 112 -9.639 -6.735 5.643 786 HB3 TYR 112 HB1 TYR 112 -8.931 -6.620 7.250 787 HD1 TYR 112 HD1 TYR 112 -10.619 -9.041 4.972 788 HD2 TYR 112 HD2 TYR 112 -7.885 -8.478 8.183 789 HE1 TYR 112 HE1 TYR 112 -10.011 -11.422 4.863 790 HE2 TYR 112 HE2 TYR 112 -7.269 -10.857 8.084 791 HH TYR 112 HH TYR 112 -8.444 -13.030 7.254 792 H ASP 113 H ASP 113 -10.458 -5.476 9.273 793 HA ASP 113 HA ASP 113 -10.097 -7.487 11.202 794 HB2 ASP 113 HB2 ASP 113 -9.495 -4.920 11.221 795 HB3 ASP 113 HB1 ASP 113 -11.073 -4.764 11.986 796 H ASN 114 H ASN 114 -12.921 -5.830 10.015 797 HA ASN 114 HA ASN 114 -14.647 -6.788 12.121 798 HB2 ASN 114 HB2 ASN 114 -14.810 -4.655 10.464 799 HB3 ASN 114 HB1 ASN 114 -15.836 -5.794 9.598 800 HD21 ASN 114 HD21 ASN 114 -15.831 -3.415 11.843 801 HD22 ASN 114 HD22 ASN 114 -17.284 -3.807 12.691 802 H ILE 115 H ILE 115 -13.827 -7.666 8.814 803 HA ILE 115 HA ILE 115 -15.899 -9.550 8.430 804 HB ILE 115 HB ILE 115 -13.168 -9.468 7.144 805 HG12 ILE 115 HG12 ILE 115 -15.680 -8.515 5.828 806 HG13 ILE 115 HG11 ILE 115 -14.879 -7.462 6.989 807 HG21 ILE 115 HG21 ILE 115 -15.171 -11.436 7.003 808 HG22 ILE 115 HG22 ILE 115 -13.725 -11.289 6.006 809 HG23 ILE 115 HG23 ILE 115 -15.235 -10.546 5.482 810 HD11 ILE 115 HD11 ILE 115 -13.579 -6.768 5.343 811 HD12 ILE 115 HD12 ILE 115 -14.226 -7.990 4.249 812 HD13 ILE 115 HD13 ILE 115 -12.859 -8.378 5.295 813 H ALA 116 H ALA 116 -12.560 -9.877 9.548 814 HA ALA 116 HA ALA 116 -11.450 -11.555 10.615 815 HB1 ALA 116 HB1 ALA 116 -14.102 -12.498 11.655 816 HB2 ALA 116 HB2 ALA 116 -13.370 -10.993 12.215 817 HB3 ALA 116 HB3 ALA 116 -12.528 -12.525 12.450 818 H LYS 117 H LYS 117 -11.382 -12.322 8.221 819 HA LYS 117 HA LYS 117 -12.904 -14.557 7.423 820 HB2 LYS 117 HB2 LYS 117 -10.415 -13.227 6.496 821 HB3 LYS 117 HB1 LYS 117 -10.675 -14.883 5.967 822 HG2 LYS 117 HG2 LYS 117 -13.005 -13.128 5.672 823 HG3 LYS 117 HG1 LYS 117 -11.608 -12.683 4.690 824 HD2 LYS 117 HD2 LYS 117 -11.532 -14.904 3.728 825 HD3 LYS 117 HD1 LYS 117 -12.850 -15.430 4.778 826 HE2 LYS 117 HE2 LYS 117 -14.191 -13.518 3.692 827 HE3 LYS 117 HE1 LYS 117 -12.931 -13.531 2.459 828 HZ1 LYS 117 HZ1 LYS 117 -14.623 -15.849 3.225 829 HZ2 LYS 117 HZ2 LYS 117 -13.418 -15.861 2.039 830 HZ3 LYS 117 HZ3 LYS 117 -14.803 -14.915 1.824 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -20.100 6.483 3.688 2 H2 MET 1 HT2 MET 1 -18.439 6.853 3.905 3 H3 MET 1 HT3 MET 1 -18.910 5.294 3.361 4 HA MET 1 HA MET 1 -19.945 6.466 1.424 5 HB2 MET 1 HB2 MET 1 -18.525 8.635 2.866 6 HB3 MET 1 HB1 MET 1 -18.355 8.623 1.117 7 HG2 MET 1 HG2 MET 1 -20.491 9.230 0.765 8 HG3 MET 1 HG1 MET 1 -21.096 8.291 2.130 9 HE1 MET 1 HE1 MET 1 -18.340 11.558 2.979 10 HE2 MET 1 HE2 MET 1 -19.375 12.367 1.802 11 HE3 MET 1 HE3 MET 1 -18.572 10.855 1.377 12 H ASP 2 H ASP 2 -16.828 6.118 2.960 13 HA ASP 2 HA ASP 2 -15.553 5.554 0.385 14 HB2 ASP 2 HB2 ASP 2 -14.506 6.161 3.134 15 HB3 ASP 2 HB1 ASP 2 -13.471 5.390 1.936 16 H ARG 3 H ARG 3 -17.495 3.735 1.544 17 HA ARG 3 HA ARG 3 -16.065 1.513 2.668 18 HB2 ARG 3 HB2 ARG 3 -18.190 0.336 2.553 19 HB3 ARG 3 HB1 ARG 3 -18.426 1.947 3.215 20 HG2 ARG 3 HG2 ARG 3 -18.980 2.575 0.748 21 HG3 ARG 3 HG1 ARG 3 -19.261 0.842 0.576 22 HD2 ARG 3 HD2 ARG 3 -20.941 0.869 2.265 23 HD3 ARG 3 HD1 ARG 3 -20.538 2.523 2.723 24 HE ARG 3 HE ARG 3 -21.254 2.752 0.123 25 HH11 ARG 3 HH11 ARG 3 -22.791 1.323 2.910 26 HH12 ARG 3 HH12 ARG 3 -24.397 1.632 2.338 27 HH21 ARG 3 HH21 ARG 3 -23.363 3.158 -0.631 28 HH22 ARG 3 HH22 ARG 3 -24.721 2.673 0.329 29 H LYS 4 H LYS 4 -17.099 2.514 -0.513 30 HA LYS 4 HA LYS 4 -16.827 0.044 -1.840 31 HB2 LYS 4 HB2 LYS 4 -17.980 2.017 -2.800 32 HB3 LYS 4 HB1 LYS 4 -16.427 2.826 -2.961 33 HG2 LYS 4 HG2 LYS 4 -15.724 1.414 -4.666 34 HG3 LYS 4 HG1 LYS 4 -16.910 0.172 -4.256 35 HD2 LYS 4 HD2 LYS 4 -18.670 1.931 -4.894 36 HD3 LYS 4 HD1 LYS 4 -17.334 2.788 -5.666 37 HE2 LYS 4 HE2 LYS 4 -16.854 0.780 -7.006 38 HE3 LYS 4 HE1 LYS 4 -18.229 -0.032 -6.260 39 HZ1 LYS 4 HZ1 LYS 4 -19.280 0.759 -8.069 40 HZ2 LYS 4 HZ2 LYS 4 -18.179 2.017 -8.317 41 HZ3 LYS 4 HZ3 LYS 4 -19.397 2.178 -7.154 42 H VAL 5 H VAL 5 -14.491 2.477 -0.902 43 HA VAL 5 HA VAL 5 -12.345 1.836 -2.526 44 HB VAL 5 HB VAL 5 -12.131 2.488 0.416 45 HG11 VAL 5 HG11 VAL 5 -9.963 3.319 -0.074 46 HG12 VAL 5 HG12 VAL 5 -10.225 3.167 -1.812 47 HG13 VAL 5 HG13 VAL 5 -10.073 1.721 -0.813 48 HG21 VAL 5 HG21 VAL 5 -12.958 4.124 -1.891 49 HG22 VAL 5 HG22 VAL 5 -11.762 4.854 -0.821 50 HG23 VAL 5 HG23 VAL 5 -13.312 4.318 -0.174 51 H ALA 6 H ALA 6 -13.591 0.193 0.308 52 HA ALA 6 HA ALA 6 -11.427 -1.653 0.556 53 HB1 ALA 6 HB1 ALA 6 -14.227 -1.999 1.606 54 HB2 ALA 6 HB2 ALA 6 -13.003 -1.009 2.402 55 HB3 ALA 6 HB3 ALA 6 -12.748 -2.744 2.210 56 H ARG 7 H ARG 7 -14.585 -1.680 -1.014 57 HA ARG 7 HA ARG 7 -14.535 -4.415 -1.765 58 HB2 ARG 7 HB2 ARG 7 -16.449 -2.517 -1.782 59 HB3 ARG 7 HB1 ARG 7 -16.007 -2.504 -3.484 60 HG2 ARG 7 HG2 ARG 7 -17.510 -4.143 -3.671 61 HG3 ARG 7 HG1 ARG 7 -16.238 -5.171 -3.006 62 HD2 ARG 7 HD2 ARG 7 -17.956 -5.684 -1.586 63 HD3 ARG 7 HD1 ARG 7 -17.221 -4.340 -0.714 64 HE ARG 7 HE ARG 7 -19.184 -3.227 -0.966 65 HH11 ARG 7 HH11 ARG 7 -18.925 -5.544 -3.562 66 HH12 ARG 7 HH12 ARG 7 -20.478 -5.160 -4.226 67 HH21 ARG 7 HH21 ARG 7 -21.226 -2.721 -1.837 68 HH22 ARG 7 HH22 ARG 7 -21.785 -3.557 -3.248 69 H GLU 8 H GLU 8 -13.454 -1.458 -3.339 70 HA GLU 8 HA GLU 8 -12.847 -2.687 -5.833 71 HB2 GLU 8 HB2 GLU 8 -11.819 -0.117 -4.615 72 HB3 GLU 8 HB1 GLU 8 -11.570 -0.607 -6.286 73 HG2 GLU 8 HG2 GLU 8 -13.926 -0.490 -6.729 74 HG3 GLU 8 HG1 GLU 8 -14.269 -0.174 -5.030 75 H PHE 9 H PHE 9 -10.837 -1.697 -3.069 76 HA PHE 9 HA PHE 9 -8.407 -2.675 -4.114 77 HB2 PHE 9 HB2 PHE 9 -8.549 -1.076 -2.225 78 HB3 PHE 9 HB1 PHE 9 -9.209 -2.355 -1.212 79 HD1 PHE 9 HD1 PHE 9 -6.224 -1.448 -3.225 80 HD2 PHE 9 HD2 PHE 9 -7.794 -3.746 -0.005 81 HE1 PHE 9 HE1 PHE 9 -3.942 -2.120 -2.597 82 HE2 PHE 9 HE2 PHE 9 -5.514 -4.422 0.628 83 HZ PHE 9 HZ PHE 9 -3.584 -3.608 -0.668 84 H ARG 10 H ARG 10 -10.898 -4.125 -2.077 85 HA ARG 10 HA ARG 10 -9.518 -6.570 -1.629 86 HB2 ARG 10 HB2 ARG 10 -11.409 -5.672 -0.230 87 HB3 ARG 10 HB1 ARG 10 -12.502 -6.112 -1.534 88 HG2 ARG 10 HG2 ARG 10 -10.900 -8.375 -0.919 89 HG3 ARG 10 HG1 ARG 10 -11.541 -7.718 0.589 90 HD2 ARG 10 HD2 ARG 10 -13.765 -7.957 -0.127 91 HD3 ARG 10 HD1 ARG 10 -13.289 -8.172 -1.811 92 HE ARG 10 HE ARG 10 -13.050 -10.399 -1.400 93 HH11 ARG 10 HH11 ARG 10 -12.909 -8.704 1.648 94 HH12 ARG 10 HH12 ARG 10 -12.855 -10.154 2.593 95 HH21 ARG 10 HH21 ARG 10 -12.980 -12.307 -0.157 96 HH22 ARG 10 HH22 ARG 10 -12.895 -12.200 1.570 97 H HIS 11 H HIS 11 -12.008 -5.551 -3.953 98 HA HIS 11 HA HIS 11 -12.403 -8.044 -5.167 99 HB2 HIS 11 HB2 HIS 11 -12.811 -5.213 -6.051 100 HB3 HIS 11 HB1 HIS 11 -12.986 -6.515 -7.224 101 HD1 HIS 11 HD1 HIS 11 -15.502 -6.327 -7.504 102 HD2 HIS 11 HD2 HIS 11 -14.324 -6.842 -3.554 103 HE1 HIS 11 HE1 HIS 11 -17.619 -6.787 -6.228 104 HE2 HIS 11 HE2 HIS 11 -16.893 -7.004 -3.824 105 H LYS 12 H LYS 12 -10.135 -5.441 -5.954 106 HA LYS 12 HA LYS 12 -9.020 -6.614 -8.241 107 HB2 LYS 12 HB2 LYS 12 -8.239 -4.499 -6.332 108 HB3 LYS 12 HB1 LYS 12 -6.906 -5.256 -7.191 109 HG2 LYS 12 HG2 LYS 12 -7.330 -3.718 -8.755 110 HG3 LYS 12 HG1 LYS 12 -8.646 -4.797 -9.224 111 HD2 LYS 12 HD2 LYS 12 -10.256 -3.492 -8.196 112 HD3 LYS 12 HD1 LYS 12 -9.095 -2.747 -7.095 113 HE2 LYS 12 HE2 LYS 12 -9.847 -1.153 -8.776 114 HE3 LYS 12 HE1 LYS 12 -8.127 -1.495 -8.955 115 HZ1 LYS 12 HZ1 LYS 12 -10.333 -2.101 -10.744 116 HZ2 LYS 12 HZ2 LYS 12 -9.163 -3.313 -10.595 117 HZ3 LYS 12 HZ3 LYS 12 -8.713 -1.762 -11.097 118 H VAL 13 H VAL 13 -8.067 -6.821 -4.831 119 HA VAL 13 HA VAL 13 -5.810 -8.397 -5.083 120 HB VAL 13 HB VAL 13 -7.853 -8.531 -2.863 121 HG11 VAL 13 HG11 VAL 13 -6.249 -10.419 -2.909 122 HG12 VAL 13 HG12 VAL 13 -6.077 -9.394 -1.482 123 HG13 VAL 13 HG13 VAL 13 -4.926 -9.257 -2.812 124 HG21 VAL 13 HG21 VAL 13 -7.069 -6.604 -2.043 125 HG22 VAL 13 HG22 VAL 13 -6.413 -6.335 -3.658 126 HG23 VAL 13 HG23 VAL 13 -5.394 -7.029 -2.397 127 H ASP 14 H ASP 14 -9.180 -9.468 -4.663 128 HA ASP 14 HA ASP 14 -8.481 -12.229 -4.889 129 HB2 ASP 14 HB2 ASP 14 -10.870 -12.669 -4.896 130 HB3 ASP 14 HB1 ASP 14 -10.484 -11.484 -3.655 131 H PHE 15 H PHE 15 -8.960 -9.739 -7.179 132 HA PHE 15 HA PHE 15 -9.917 -11.328 -9.338 133 HB2 PHE 15 HB2 PHE 15 -9.886 -8.732 -9.063 134 HB3 PHE 15 HB1 PHE 15 -8.259 -8.854 -9.724 135 HD1 PHE 15 HD1 PHE 15 -11.790 -9.766 -10.423 136 HD2 PHE 15 HD2 PHE 15 -7.930 -8.955 -12.019 137 HE1 PHE 15 HE1 PHE 15 -12.726 -9.815 -12.698 138 HE2 PHE 15 HE2 PHE 15 -8.858 -9.002 -14.297 139 HZ PHE 15 HZ PHE 15 -11.258 -9.432 -14.639 140 H LEU 16 H LEU 16 -6.772 -10.409 -8.121 141 HA LEU 16 HA LEU 16 -5.410 -11.854 -10.254 142 HB2 LEU 16 HB2 LEU 16 -3.881 -10.666 -8.015 143 HB3 LEU 16 HB1 LEU 16 -3.533 -10.671 -9.733 144 HG LEU 16 HG LEU 16 -5.765 -8.986 -8.642 145 HD11 LEU 16 HD11 LEU 16 -3.794 -8.425 -7.320 146 HD12 LEU 16 HD12 LEU 16 -4.200 -7.122 -8.437 147 HD13 LEU 16 HD13 LEU 16 -2.855 -8.205 -8.797 148 HD21 LEU 16 HD21 LEU 16 -3.964 -8.784 -11.053 149 HD22 LEU 16 HD22 LEU 16 -5.212 -7.618 -10.613 150 HD23 LEU 16 HD23 LEU 16 -5.660 -9.269 -11.043 151 H ILE 17 H ILE 17 -5.662 -11.879 -6.731 152 HA ILE 17 HA ILE 17 -4.060 -14.186 -6.348 153 HB ILE 17 HB ILE 17 -5.986 -12.699 -4.590 154 HG12 ILE 17 HG12 ILE 17 -3.775 -12.541 -3.261 155 HG13 ILE 17 HG11 ILE 17 -3.019 -13.075 -4.758 156 HG21 ILE 17 HG21 ILE 17 -4.971 -15.426 -4.201 157 HG22 ILE 17 HG22 ILE 17 -6.338 -14.601 -3.447 158 HG23 ILE 17 HG23 ILE 17 -4.707 -14.333 -2.842 159 HD11 ILE 17 HD11 ILE 17 -2.907 -10.691 -4.635 160 HD12 ILE 17 HD12 ILE 17 -4.641 -10.578 -4.335 161 HD13 ILE 17 HD13 ILE 17 -4.050 -11.133 -5.902 162 H GLU 18 H GLU 18 -7.573 -13.732 -6.264 163 HA GLU 18 HA GLU 18 -9.284 -15.163 -6.469 164 HB2 GLU 18 HB2 GLU 18 -7.490 -16.905 -8.098 165 HB3 GLU 18 HB1 GLU 18 -9.216 -16.633 -8.289 166 HG2 GLU 18 HG2 GLU 18 -8.598 -14.231 -8.855 167 HG3 GLU 18 HG1 GLU 18 -6.945 -14.821 -9.011 168 H ASN 19 H ASN 19 -6.773 -15.864 -4.718 169 HA ASN 19 HA ASN 19 -7.703 -18.531 -3.920 170 HB2 ASN 19 HB2 ASN 19 -5.168 -17.826 -4.593 171 HB3 ASN 19 HB1 ASN 19 -5.124 -17.564 -2.853 172 HD21 ASN 19 HD21 ASN 19 -4.366 -19.236 -1.801 173 HD22 ASN 19 HD22 ASN 19 -4.606 -20.898 -2.208 174 H ASP 20 H ASP 20 -6.556 -18.644 -1.397 175 HA ASP 20 HA ASP 20 -7.967 -16.514 0.054 176 HB2 ASP 20 HB2 ASP 20 -8.752 -19.135 -0.006 177 HB3 ASP 20 HB1 ASP 20 -7.748 -19.097 1.441 178 H ALA 21 H ALA 21 -5.424 -18.982 0.287 179 HA ALA 21 HA ALA 21 -4.254 -18.089 2.660 180 HB1 ALA 21 HB1 ALA 21 -2.772 -19.354 0.366 181 HB2 ALA 21 HB2 ALA 21 -3.788 -20.256 1.491 182 HB3 ALA 21 HB3 ALA 21 -2.359 -19.408 2.079 183 H GLU 22 H GLU 22 -3.749 -17.093 -0.677 184 HA GLU 22 HA GLU 22 -1.503 -15.448 -0.225 185 HB2 GLU 22 HB2 GLU 22 -3.476 -15.826 -2.400 186 HB3 GLU 22 HB1 GLU 22 -2.634 -14.282 -2.378 187 HG2 GLU 22 HG2 GLU 22 -1.189 -15.447 -3.664 188 HG3 GLU 22 HG1 GLU 22 -0.530 -15.862 -2.083 189 H LYS 23 H LYS 23 -4.982 -14.713 -0.360 190 HA LYS 23 HA LYS 23 -4.733 -11.939 0.080 191 HB2 LYS 23 HB2 LYS 23 -6.856 -13.850 -0.160 192 HB3 LYS 23 HB1 LYS 23 -7.162 -12.843 1.247 193 HG2 LYS 23 HG2 LYS 23 -7.022 -10.845 -0.105 194 HG3 LYS 23 HG1 LYS 23 -6.598 -11.807 -1.524 195 HD2 LYS 23 HD2 LYS 23 -9.158 -12.213 0.002 196 HD3 LYS 23 HD1 LYS 23 -9.021 -11.062 -1.329 197 HE2 LYS 23 HE2 LYS 23 -8.645 -12.741 -2.900 198 HE3 LYS 23 HE1 LYS 23 -8.178 -13.917 -1.672 199 HZ1 LYS 23 HZ1 LYS 23 -10.882 -12.982 -2.394 200 HZ2 LYS 23 HZ2 LYS 23 -10.583 -13.679 -0.881 201 HZ3 LYS 23 HZ3 LYS 23 -10.300 -14.567 -2.292 202 H ASP 24 H ASP 24 -4.810 -14.684 2.247 203 HA ASP 24 HA ASP 24 -5.238 -13.288 4.653 204 HB2 ASP 24 HB2 ASP 24 -5.051 -15.902 4.040 205 HB3 ASP 24 HB1 ASP 24 -3.434 -15.650 4.694 206 H TYR 25 H TYR 25 -2.257 -14.253 2.981 207 HA TYR 25 HA TYR 25 -0.508 -13.064 4.868 208 HB2 TYR 25 HB2 TYR 25 0.229 -14.830 3.311 209 HB3 TYR 25 HB1 TYR 25 -0.016 -13.734 1.955 210 HD1 TYR 25 HD2 TYR 25 1.933 -14.103 5.109 211 HD2 TYR 25 HD1 TYR 25 1.733 -12.379 1.225 212 HE1 TYR 25 HE2 TYR 25 4.242 -13.295 5.357 213 HE2 TYR 25 HE1 TYR 25 4.042 -11.567 1.460 214 HH TYR 25 HH TYR 25 6.161 -12.673 3.709 215 H LEU 26 H LEU 26 -1.704 -11.937 1.694 216 HA LEU 26 HA LEU 26 -0.347 -9.483 1.722 217 HB2 LEU 26 HB2 LEU 26 -1.446 -10.211 -0.299 218 HB3 LEU 26 HB1 LEU 26 -3.004 -10.247 0.503 219 HG LEU 26 HG LEU 26 -2.800 -7.744 0.791 220 HD11 LEU 26 HD11 LEU 26 -0.672 -7.044 0.491 221 HD12 LEU 26 HD12 LEU 26 -1.207 -6.897 -1.182 222 HD13 LEU 26 HD13 LEU 26 -0.297 -8.318 -0.670 223 HD21 LEU 26 HD21 LEU 26 -2.926 -8.967 -1.958 224 HD22 LEU 26 HD22 LEU 26 -3.338 -7.286 -1.615 225 HD23 LEU 26 HD23 LEU 26 -4.269 -8.589 -0.877 226 H TYR 27 H TYR 27 -3.435 -10.496 3.070 227 HA TYR 27 HA TYR 27 -4.231 -7.981 4.073 228 HB2 TYR 27 HB2 TYR 27 -4.937 -10.819 4.640 229 HB3 TYR 27 HB1 TYR 27 -5.335 -9.635 5.879 230 HD1 TYR 27 HD1 TYR 27 -6.254 -7.320 4.521 231 HD2 TYR 27 HD2 TYR 27 -6.818 -11.395 3.438 232 HE1 TYR 27 HE1 TYR 27 -8.289 -6.703 3.286 233 HE2 TYR 27 HE2 TYR 27 -8.855 -10.790 2.199 234 HH TYR 27 HH TYR 27 -10.517 -8.101 2.594 235 H ASP 28 H ASP 28 -2.056 -10.493 5.209 236 HA ASP 28 HA ASP 28 -1.665 -9.383 7.815 237 HB2 ASP 28 HB2 ASP 28 -0.508 -11.581 6.207 238 HB3 ASP 28 HB1 ASP 28 0.567 -10.870 7.407 239 H VAL 29 H VAL 29 -0.186 -8.968 4.650 240 HA VAL 29 HA VAL 29 2.159 -7.641 5.479 241 HB VAL 29 HB VAL 29 0.622 -7.297 2.897 242 HG11 VAL 29 HG11 VAL 29 3.505 -6.659 3.515 243 HG12 VAL 29 HG12 VAL 29 2.213 -5.470 3.338 244 HG13 VAL 29 HG13 VAL 29 2.697 -6.460 1.960 245 HG21 VAL 29 HG21 VAL 29 2.523 -8.840 2.087 246 HG22 VAL 29 HG22 VAL 29 1.175 -9.555 2.969 247 HG23 VAL 29 HG23 VAL 29 2.705 -9.255 3.791 248 H LEU 30 H LEU 30 -0.937 -6.310 4.305 249 HA LEU 30 HA LEU 30 -0.302 -3.616 4.755 250 HB2 LEU 30 HB2 LEU 30 -2.907 -5.105 4.575 251 HB3 LEU 30 HB1 LEU 30 -2.868 -3.383 4.907 252 HG LEU 30 HG LEU 30 -1.649 -4.658 2.457 253 HD11 LEU 30 HD11 LEU 30 -3.705 -3.279 1.481 254 HD12 LEU 30 HD12 LEU 30 -4.392 -3.713 3.047 255 HD13 LEU 30 HD13 LEU 30 -3.836 -4.975 1.948 256 HD21 LEU 30 HD21 LEU 30 -2.401 -1.825 2.461 257 HD22 LEU 30 HD22 LEU 30 -0.950 -2.617 1.844 258 HD23 LEU 30 HD23 LEU 30 -1.084 -2.237 3.561 259 H ARG 31 H ARG 31 -1.736 -6.075 6.825 260 HA ARG 31 HA ARG 31 -2.462 -4.436 8.981 261 HB2 ARG 31 HB2 ARG 31 -2.761 -7.060 8.446 262 HB3 ARG 31 HB1 ARG 31 -1.436 -7.148 9.598 263 HG2 ARG 31 HG2 ARG 31 -3.023 -5.537 10.976 264 HG3 ARG 31 HG1 ARG 31 -4.257 -6.336 10.000 265 HD2 ARG 31 HD2 ARG 31 -2.254 -7.631 11.842 266 HD3 ARG 31 HD1 ARG 31 -4.003 -7.551 12.052 267 HE ARG 31 HE ARG 31 -3.564 -8.830 9.642 268 HH11 ARG 31 HH11 ARG 31 -2.806 -9.381 13.003 269 HH12 ARG 31 HH12 ARG 31 -2.816 -11.106 12.852 270 HH21 ARG 31 HH21 ARG 31 -3.577 -11.100 9.441 271 HH22 ARG 31 HH22 ARG 31 -3.252 -12.083 10.831 272 H MET 32 H MET 32 0.570 -6.081 8.200 273 HA MET 32 HA MET 32 1.900 -5.283 10.601 274 HB2 MET 32 HB2 MET 32 2.451 -6.974 8.390 275 HB3 MET 32 HB1 MET 32 3.755 -5.798 8.472 276 HG2 MET 32 HG2 MET 32 3.726 -6.431 11.020 277 HG3 MET 32 HG1 MET 32 2.970 -7.904 10.416 278 HE1 MET 32 HE1 MET 32 6.603 -5.969 10.564 279 HE2 MET 32 HE2 MET 32 5.544 -5.405 9.272 280 HE3 MET 32 HE3 MET 32 6.988 -6.339 8.884 281 H TYR 33 H TYR 33 1.683 -4.033 7.316 282 HA TYR 33 HA TYR 33 3.650 -2.036 7.520 283 HB2 TYR 33 HB2 TYR 33 2.829 -2.645 5.352 284 HB3 TYR 33 HB1 TYR 33 1.174 -2.252 5.802 285 HD1 TYR 33 HD2 TYR 33 4.215 -0.214 6.439 286 HD2 TYR 33 HD1 TYR 33 0.618 -0.622 4.205 287 HE1 TYR 33 HE2 TYR 33 4.516 2.059 5.551 288 HE2 TYR 33 HE1 TYR 33 0.908 1.648 3.309 289 HH TYR 33 HH TYR 33 2.668 3.272 2.944 290 H HIS 34 H HIS 34 0.411 -2.231 8.732 291 HA HIS 34 HA HIS 34 0.115 0.604 9.145 292 HB2 HIS 34 HB2 HIS 34 -1.844 -0.832 8.746 293 HB3 HIS 34 HB1 HIS 34 -1.500 -1.714 10.230 294 HD1 HIS 34 HD1 HIS 34 -1.614 -0.168 12.479 295 HD2 HIS 34 HD2 HIS 34 -3.495 1.293 9.076 296 HE1 HIS 34 HE1 HIS 34 -3.206 1.599 13.299 297 HE2 HIS 34 HE2 HIS 34 -4.388 2.417 11.228 298 H GLN 35 H GLN 35 1.066 -2.191 11.051 299 HA GLN 35 HA GLN 35 1.127 -0.750 13.533 300 HB2 GLN 35 HB2 GLN 35 1.030 -3.402 12.867 301 HB3 GLN 35 HB1 GLN 35 2.703 -3.221 13.374 302 HG2 GLN 35 HG2 GLN 35 2.156 -2.971 15.529 303 HG3 GLN 35 HG1 GLN 35 0.749 -1.973 15.162 304 HE21 GLN 35 HE21 GLN 35 -1.169 -3.103 14.365 305 HE22 GLN 35 HE22 GLN 35 -1.508 -4.688 14.965 306 H THR 36 H THR 36 3.710 -2.317 11.661 307 HA THR 36 HA THR 36 5.782 -0.952 13.049 308 HB THR 36 HB THR 36 6.179 -3.129 12.048 309 HG1 THR 36 HG1 THR 36 7.690 -1.115 10.746 310 HG21 THR 36 HG21 THR 36 5.268 -3.593 10.078 311 HG22 THR 36 HG22 THR 36 6.626 -2.717 9.372 312 HG23 THR 36 HG23 THR 36 5.095 -1.889 9.661 313 H MET 37 H MET 37 3.982 -0.288 10.128 314 HA MET 37 HA MET 37 3.872 1.567 8.810 315 HB2 MET 37 HB2 MET 37 4.737 2.538 11.332 316 HB3 MET 37 HB1 MET 37 5.682 3.369 10.105 317 HG2 MET 37 HG2 MET 37 3.882 4.761 10.292 318 HG3 MET 37 HG1 MET 37 3.365 3.722 8.966 319 HE1 MET 37 HE1 MET 37 1.397 2.755 8.749 320 HE2 MET 37 HE2 MET 37 0.504 4.127 9.407 321 HE3 MET 37 HE3 MET 37 0.123 2.489 9.939 322 H ASP 38 H ASP 38 5.749 -0.445 8.243 323 HA ASP 38 HA ASP 38 8.027 1.069 7.156 324 HB2 ASP 38 HB2 ASP 38 7.699 -1.801 7.975 325 HB3 ASP 38 HB1 ASP 38 8.952 -1.343 6.825 326 H VAL 39 H VAL 39 7.691 1.670 5.125 327 HA VAL 39 HA VAL 39 5.863 0.337 3.380 328 HB VAL 39 HB VAL 39 7.943 2.396 2.638 329 HG11 VAL 39 HG11 VAL 39 5.776 2.810 1.042 330 HG12 VAL 39 HG12 VAL 39 5.765 1.054 1.209 331 HG13 VAL 39 HG13 VAL 39 7.199 1.871 0.588 332 HG21 VAL 39 HG21 VAL 39 5.078 2.883 3.442 333 HG22 VAL 39 HG22 VAL 39 6.298 4.093 3.047 334 HG23 VAL 39 HG23 VAL 39 6.462 3.120 4.509 335 H ALA 40 H ALA 40 9.262 0.084 4.016 336 HA ALA 40 HA ALA 40 9.981 -1.157 1.548 337 HB1 ALA 40 HB1 ALA 40 11.529 -1.560 4.072 338 HB2 ALA 40 HB2 ALA 40 11.486 0.031 3.312 339 HB3 ALA 40 HB3 ALA 40 12.111 -1.357 2.420 340 H VAL 41 H VAL 41 8.613 -2.213 4.545 341 HA VAL 41 HA VAL 41 9.247 -4.982 4.172 342 HB VAL 41 HB VAL 41 7.219 -3.744 6.035 343 HG11 VAL 41 HG11 VAL 41 8.078 -6.018 7.235 344 HG12 VAL 41 HG12 VAL 41 8.119 -6.496 5.538 345 HG13 VAL 41 HG13 VAL 41 6.620 -5.902 6.251 346 HG21 VAL 41 HG21 VAL 41 9.744 -3.087 6.178 347 HG22 VAL 41 HG22 VAL 41 9.915 -4.687 6.900 348 HG23 VAL 41 HG23 VAL 41 8.849 -3.495 7.642 349 H LEU 42 H LEU 42 6.340 -2.970 3.826 350 HA LEU 42 HA LEU 42 4.609 -5.039 3.048 351 HB2 LEU 42 HB2 LEU 42 3.057 -3.394 2.523 352 HB3 LEU 42 HB1 LEU 42 4.048 -2.636 3.752 353 HG LEU 42 HG LEU 42 5.351 -1.662 1.694 354 HD11 LEU 42 HD11 LEU 42 3.430 -3.126 0.348 355 HD12 LEU 42 HD12 LEU 42 4.447 -1.853 -0.329 356 HD13 LEU 42 HD13 LEU 42 2.834 -1.467 0.269 357 HD21 LEU 42 HD21 LEU 42 2.613 -0.603 2.366 358 HD22 LEU 42 HD22 LEU 42 4.017 0.311 1.814 359 HD23 LEU 42 HD23 LEU 42 4.020 -0.430 3.415 360 H VAL 43 H VAL 43 6.752 -2.937 1.178 361 HA VAL 43 HA VAL 43 5.892 -3.731 -1.383 362 HB VAL 43 HB VAL 43 8.654 -2.825 -0.549 363 HG11 VAL 43 HG11 VAL 43 8.789 -2.077 -2.941 364 HG12 VAL 43 HG12 VAL 43 7.324 -3.010 -3.246 365 HG13 VAL 43 HG13 VAL 43 8.793 -3.824 -2.708 366 HG21 VAL 43 HG21 VAL 43 6.396 -1.395 -0.236 367 HG22 VAL 43 HG22 VAL 43 6.797 -0.977 -1.902 368 HG23 VAL 43 HG23 VAL 43 7.963 -0.677 -0.612 369 H GLY 44 H GLY 44 8.418 -5.005 0.760 370 HA2 GLY 44 HA2 GLY 44 9.498 -6.917 -0.972 371 HA3 GLY 44 HA1 GLY 44 9.503 -7.029 0.783 372 H ASP 45 H ASP 45 6.927 -7.326 1.461 373 HA ASP 45 HA ASP 45 6.399 -10.024 0.881 374 HB2 ASP 45 HB2 ASP 45 4.464 -7.960 1.958 375 HB3 ASP 45 HB1 ASP 45 4.320 -9.709 2.110 376 H LEU 46 H LEU 46 4.973 -7.028 -0.363 377 HA LEU 46 HA LEU 46 2.901 -8.044 -1.871 378 HB2 LEU 46 HB2 LEU 46 4.628 -5.645 -2.048 379 HB3 LEU 46 HB1 LEU 46 3.725 -6.056 -3.491 380 HG LEU 46 HG LEU 46 2.495 -5.594 -0.772 381 HD11 LEU 46 HD11 LEU 46 1.892 -3.447 -1.460 382 HD12 LEU 46 HD12 LEU 46 2.270 -3.781 -3.149 383 HD13 LEU 46 HD13 LEU 46 3.572 -3.603 -1.974 384 HD21 LEU 46 HD21 LEU 46 0.423 -5.901 -1.732 385 HD22 LEU 46 HD22 LEU 46 1.378 -7.120 -2.573 386 HD23 LEU 46 HD23 LEU 46 1.013 -5.588 -3.363 387 H LYS 47 H LYS 47 6.325 -7.790 -2.730 388 HA LYS 47 HA LYS 47 6.045 -8.734 -5.387 389 HB2 LYS 47 HB2 LYS 47 8.380 -8.612 -3.486 390 HB3 LYS 47 HB1 LYS 47 8.534 -9.272 -5.108 391 HG2 LYS 47 HG2 LYS 47 8.660 -7.249 -6.012 392 HG3 LYS 47 HG1 LYS 47 7.233 -6.691 -5.138 393 HD2 LYS 47 HD2 LYS 47 8.672 -5.344 -4.064 394 HD3 LYS 47 HD1 LYS 47 9.097 -6.792 -3.149 395 HE2 LYS 47 HE2 LYS 47 11.114 -5.743 -3.933 396 HE3 LYS 47 HE1 LYS 47 10.878 -7.258 -4.805 397 HZ1 LYS 47 HZ1 LYS 47 10.825 -4.526 -5.787 398 HZ2 LYS 47 HZ2 LYS 47 9.648 -5.556 -6.433 399 HZ3 LYS 47 HZ3 LYS 47 11.286 -5.954 -6.574 400 H LEU 48 H LEU 48 6.983 -10.355 -2.361 401 HA LEU 48 HA LEU 48 7.431 -12.908 -3.323 402 HB2 LEU 48 HB2 LEU 48 6.294 -11.946 -0.708 403 HB3 LEU 48 HB1 LEU 48 6.582 -13.647 -1.021 404 HG LEU 48 HG LEU 48 8.802 -11.658 -1.347 405 HD11 LEU 48 HD11 LEU 48 7.601 -12.664 1.180 406 HD12 LEU 48 HD12 LEU 48 8.350 -11.109 0.824 407 HD13 LEU 48 HD13 LEU 48 9.358 -12.534 1.075 408 HD21 LEU 48 HD21 LEU 48 8.674 -14.274 -1.942 409 HD22 LEU 48 HD22 LEU 48 9.196 -14.373 -0.260 410 HD23 LEU 48 HD23 LEU 48 10.154 -13.464 -1.429 411 H VAL 49 H VAL 49 4.444 -11.194 -2.930 412 HA VAL 49 HA VAL 49 2.877 -13.618 -3.445 413 HB VAL 49 HB VAL 49 1.840 -10.840 -2.877 414 HG11 VAL 49 HG11 VAL 49 -0.250 -11.735 -2.788 415 HG12 VAL 49 HG12 VAL 49 0.326 -13.311 -2.243 416 HG13 VAL 49 HG13 VAL 49 0.471 -12.859 -3.941 417 HG21 VAL 49 HG21 VAL 49 2.084 -13.075 -0.878 418 HG22 VAL 49 HG22 VAL 49 1.645 -11.393 -0.584 419 HG23 VAL 49 HG23 VAL 49 3.295 -11.805 -1.051 420 H ILE 50 H ILE 50 3.953 -10.645 -4.874 421 HA ILE 50 HA ILE 50 2.265 -11.091 -7.225 422 HB ILE 50 HB ILE 50 3.941 -8.672 -6.555 423 HG12 ILE 50 HG12 ILE 50 0.953 -8.691 -6.479 424 HG13 ILE 50 HG11 ILE 50 1.842 -9.336 -5.101 425 HG21 ILE 50 HG21 ILE 50 2.185 -9.404 -8.829 426 HG22 ILE 50 HG22 ILE 50 3.677 -8.463 -8.804 427 HG23 ILE 50 HG23 ILE 50 2.166 -7.731 -8.270 428 HD11 ILE 50 HD11 ILE 50 1.954 -6.550 -6.216 429 HD12 ILE 50 HD12 ILE 50 3.075 -7.164 -5.001 430 HD13 ILE 50 HD13 ILE 50 1.351 -7.069 -4.642 431 H ASN 51 H ASN 51 4.742 -12.572 -6.479 432 HA ASN 51 HA ASN 51 6.974 -11.952 -7.940 433 HB2 ASN 51 HB2 ASN 51 5.728 -14.482 -7.035 434 HB3 ASN 51 HB1 ASN 51 6.931 -14.630 -8.313 435 HD21 ASN 51 HD21 ASN 51 8.944 -13.227 -7.860 436 HD22 ASN 51 HD22 ASN 51 9.594 -13.368 -6.265 437 H GLU 52 H GLU 52 3.890 -13.065 -9.112 438 HA GLU 52 HA GLU 52 4.939 -13.401 -11.823 439 HB2 GLU 52 HB2 GLU 52 2.108 -13.861 -10.885 440 HB3 GLU 52 HB1 GLU 52 2.856 -14.444 -12.365 441 HG2 GLU 52 HG2 GLU 52 4.093 -16.065 -11.251 442 HG3 GLU 52 HG1 GLU 52 3.907 -15.268 -9.689 443 HA PRO 53 HA PRO 53 3.525 -9.488 -13.253 444 HB2 PRO 53 HB2 PRO 53 2.693 -10.067 -15.768 445 HB3 PRO 53 HB1 PRO 53 4.397 -9.978 -15.305 446 HG2 PRO 53 HG2 PRO 53 2.637 -12.375 -15.600 447 HG3 PRO 53 HG1 PRO 53 4.309 -12.137 -16.145 448 HD2 PRO 53 HD2 PRO 53 3.715 -13.518 -13.907 449 HD3 PRO 53 HD1 PRO 53 5.181 -12.523 -14.041 450 H SER 54 H SER 54 1.342 -12.179 -13.231 451 HA SER 54 HA SER 54 -1.005 -10.878 -14.081 452 HB2 SER 54 HB2 SER 54 -0.385 -13.445 -13.467 453 HB3 SER 54 HB1 SER 54 -1.306 -12.991 -12.034 454 HG SER 54 HG SER 54 -2.968 -13.387 -13.256 455 H ARG 55 H ARG 55 0.500 -11.187 -10.906 456 HA ARG 55 HA ARG 55 -1.692 -9.788 -9.616 457 HB2 ARG 55 HB2 ARG 55 0.897 -10.943 -8.596 458 HB3 ARG 55 HB1 ARG 55 -0.208 -10.034 -7.573 459 HG2 ARG 55 HG2 ARG 55 -1.419 -11.851 -7.221 460 HG3 ARG 55 HG1 ARG 55 -1.682 -12.045 -8.955 461 HD2 ARG 55 HD2 ARG 55 0.890 -12.926 -8.660 462 HD3 ARG 55 HD1 ARG 55 0.148 -13.454 -7.151 463 HE ARG 55 HE ARG 55 -0.387 -14.455 -9.801 464 HH11 ARG 55 HH11 ARG 55 -1.583 -14.165 -6.534 465 HH12 ARG 55 HH12 ARG 55 -2.635 -15.534 -6.666 466 HH21 ARG 55 HH21 ARG 55 -1.773 -16.252 -9.975 467 HH22 ARG 55 HH22 ARG 55 -2.744 -16.717 -8.618 468 H LEU 56 H LEU 56 0.507 -8.634 -11.586 469 HA LEU 56 HA LEU 56 2.039 -6.736 -10.302 470 HB2 LEU 56 HB2 LEU 56 0.855 -6.987 -13.008 471 HB3 LEU 56 HB1 LEU 56 1.444 -5.400 -12.549 472 HG LEU 56 HG LEU 56 3.208 -7.799 -12.231 473 HD11 LEU 56 HD11 LEU 56 3.808 -7.889 -14.422 474 HD12 LEU 56 HD12 LEU 56 3.389 -6.203 -14.722 475 HD13 LEU 56 HD13 LEU 56 2.119 -7.421 -14.622 476 HD21 LEU 56 HD21 LEU 56 4.169 -5.940 -11.234 477 HD22 LEU 56 HD22 LEU 56 3.550 -4.836 -12.462 478 HD23 LEU 56 HD23 LEU 56 4.882 -5.928 -12.846 479 HA PRO 57 HA PRO 57 -1.936 -3.723 -11.009 480 HB2 PRO 57 HB2 PRO 57 -3.719 -5.872 -9.923 481 HB3 PRO 57 HB1 PRO 57 -4.109 -4.531 -11.008 482 HG2 PRO 57 HG2 PRO 57 -3.758 -6.975 -11.981 483 HG3 PRO 57 HG1 PRO 57 -3.130 -5.561 -12.848 484 HD2 PRO 57 HD2 PRO 57 -1.673 -7.620 -11.278 485 HD3 PRO 57 HD1 PRO 57 -1.130 -6.674 -12.675 486 H LEU 58 H LEU 58 -1.208 -6.052 -8.472 487 HA LEU 58 HA LEU 58 -2.413 -4.805 -6.297 488 HB2 LEU 58 HB2 LEU 58 -0.404 -6.826 -6.716 489 HB3 LEU 58 HB1 LEU 58 0.036 -5.809 -5.360 490 HG LEU 58 HG LEU 58 -2.579 -7.288 -5.654 491 HD11 LEU 58 HD11 LEU 58 -0.273 -7.823 -3.790 492 HD12 LEU 58 HD12 LEU 58 -0.611 -8.739 -5.259 493 HD13 LEU 58 HD13 LEU 58 -1.767 -8.749 -3.927 494 HD21 LEU 58 HD21 LEU 58 -2.320 -5.018 -4.314 495 HD22 LEU 58 HD22 LEU 58 -1.655 -6.105 -3.095 496 HD23 LEU 58 HD23 LEU 58 -3.291 -6.357 -3.701 497 H PHE 59 H PHE 59 0.881 -4.316 -7.561 498 HA PHE 59 HA PHE 59 1.755 -2.440 -5.717 499 HB2 PHE 59 HB2 PHE 59 2.440 -2.454 -8.661 500 HB3 PHE 59 HB1 PHE 59 3.410 -1.785 -7.352 501 HD1 PHE 59 HD1 PHE 59 3.798 -3.638 -5.391 502 HD2 PHE 59 HD2 PHE 59 3.199 -4.423 -9.529 503 HE1 PHE 59 HE1 PHE 59 4.956 -5.795 -5.146 504 HE2 PHE 59 HE2 PHE 59 4.355 -6.581 -9.293 505 HZ PHE 59 HZ PHE 59 5.236 -7.270 -7.098 506 H ASP 60 H ASP 60 0.148 -1.837 -8.840 507 HA ASP 60 HA ASP 60 0.026 0.989 -8.424 508 HB2 ASP 60 HB2 ASP 60 -0.913 -0.923 -10.489 509 HB3 ASP 60 HB1 ASP 60 -1.810 0.588 -10.359 510 H ALA 61 H ALA 61 -2.004 -1.722 -7.707 511 HA ALA 61 HA ALA 61 -4.435 -0.335 -7.300 512 HB1 ALA 61 HB1 ALA 61 -5.113 -2.377 -6.087 513 HB2 ALA 61 HB2 ALA 61 -3.453 -2.962 -6.202 514 HB3 ALA 61 HB3 ALA 61 -4.404 -2.716 -7.666 515 H ILE 62 H ILE 62 -1.833 -1.327 -5.106 516 HA ILE 62 HA ILE 62 -3.104 -0.292 -2.769 517 HB ILE 62 HB ILE 62 -0.175 -0.927 -3.066 518 HG12 ILE 62 HG12 ILE 62 -1.986 -2.973 -1.940 519 HG13 ILE 62 HG11 ILE 62 -2.139 -2.711 -3.673 520 HG21 ILE 62 HG21 ILE 62 -1.433 0.209 -0.985 521 HG22 ILE 62 HG22 ILE 62 -0.039 -0.859 -0.815 522 HG23 ILE 62 HG23 ILE 62 -1.670 -1.494 -0.588 523 HD11 ILE 62 HD11 ILE 62 0.520 -2.885 -3.498 524 HD12 ILE 62 HD12 ILE 62 -0.531 -4.283 -3.732 525 HD13 ILE 62 HD13 ILE 62 0.066 -3.888 -2.120 526 H ARG 63 H ARG 63 -0.700 0.955 -5.019 527 HA ARG 63 HA ARG 63 0.447 3.008 -3.686 528 HB2 ARG 63 HB2 ARG 63 1.032 2.548 -5.960 529 HB3 ARG 63 HB1 ARG 63 -0.568 2.996 -6.525 530 HG2 ARG 63 HG2 ARG 63 0.047 5.111 -6.757 531 HG3 ARG 63 HG1 ARG 63 0.598 5.182 -5.083 532 HD2 ARG 63 HD2 ARG 63 2.628 5.489 -5.987 533 HD3 ARG 63 HD1 ARG 63 2.593 3.746 -6.248 534 HE ARG 63 HE ARG 63 1.380 4.841 -8.457 535 HH11 ARG 63 HH11 ARG 63 4.498 5.119 -6.915 536 HH12 ARG 63 HH12 ARG 63 5.338 5.456 -8.391 537 HH21 ARG 63 HH21 ARG 63 2.483 5.285 -10.400 538 HH22 ARG 63 HH22 ARG 63 4.193 5.551 -10.370 539 HA PRO 64 HA PRO 64 -3.451 5.944 -4.950 540 HB2 PRO 64 HB2 PRO 64 -5.343 3.773 -4.142 541 HB3 PRO 64 HB1 PRO 64 -5.578 5.098 -5.286 542 HG2 PRO 64 HG2 PRO 64 -5.034 2.599 -6.107 543 HG3 PRO 64 HG1 PRO 64 -4.437 4.025 -6.973 544 HD2 PRO 64 HD2 PRO 64 -2.956 2.069 -5.344 545 HD3 PRO 64 HD1 PRO 64 -2.366 3.186 -6.587 546 H LEU 65 H LEU 65 -4.024 3.417 -2.471 547 HA LEU 65 HA LEU 65 -4.821 5.353 -0.522 548 HB2 LEU 65 HB2 LEU 65 -4.856 3.454 1.046 549 HB3 LEU 65 HB1 LEU 65 -5.775 3.154 -0.416 550 HG LEU 65 HG LEU 65 -2.990 2.197 -0.484 551 HD11 LEU 65 HD11 LEU 65 -5.025 0.836 1.273 552 HD12 LEU 65 HD12 LEU 65 -3.617 1.726 1.854 553 HD13 LEU 65 HD13 LEU 65 -3.401 0.262 0.896 554 HD21 LEU 65 HD21 LEU 65 -5.679 1.404 -1.454 555 HD22 LEU 65 HD22 LEU 65 -4.488 0.127 -1.211 556 HD23 LEU 65 HD23 LEU 65 -4.138 1.461 -2.308 557 H ILE 66 H ILE 66 -1.825 3.927 -1.473 558 HA ILE 66 HA ILE 66 -0.380 4.332 0.927 559 HB ILE 66 HB ILE 66 0.512 4.025 -1.938 560 HG12 ILE 66 HG12 ILE 66 0.790 2.170 0.432 561 HG13 ILE 66 HG11 ILE 66 -0.511 2.072 -0.747 562 HG21 ILE 66 HG21 ILE 66 2.087 4.720 0.464 563 HG22 ILE 66 HG22 ILE 66 2.386 5.081 -1.236 564 HG23 ILE 66 HG23 ILE 66 2.755 3.479 -0.596 565 HD11 ILE 66 HD11 ILE 66 2.082 0.937 -0.860 566 HD12 ILE 66 HD12 ILE 66 1.926 2.103 -2.174 567 HD13 ILE 66 HD13 ILE 66 0.759 0.790 -2.016 568 HA PRO 67 HA PRO 67 -0.085 8.805 1.106 569 HB2 PRO 67 HB2 PRO 67 2.598 8.059 2.189 570 HB3 PRO 67 HB1 PRO 67 1.408 9.201 2.821 571 HG2 PRO 67 HG2 PRO 67 1.696 6.804 3.931 572 HG3 PRO 67 HG1 PRO 67 0.088 7.527 3.736 573 HD2 PRO 67 HD2 PRO 67 1.365 5.309 2.220 574 HD3 PRO 67 HD1 PRO 67 -0.347 5.581 2.598 575 H LEU 68 H LEU 68 0.610 10.294 -0.100 576 HA LEU 68 HA LEU 68 1.766 9.926 -2.540 577 HB2 LEU 68 HB2 LEU 68 1.074 12.084 -0.732 578 HB3 LEU 68 HB1 LEU 68 2.404 12.507 -1.794 579 HG LEU 68 HG LEU 68 -0.339 11.581 -2.618 580 HD11 LEU 68 HD11 LEU 68 -0.736 13.768 -2.210 581 HD12 LEU 68 HD12 LEU 68 -0.001 13.969 -3.800 582 HD13 LEU 68 HD13 LEU 68 0.965 14.217 -2.345 583 HD21 LEU 68 HD21 LEU 68 2.190 11.937 -4.154 584 HD22 LEU 68 HD22 LEU 68 0.659 12.356 -4.923 585 HD23 LEU 68 HD23 LEU 68 0.927 10.719 -4.326 586 H LYS 69 H LYS 69 3.362 10.858 0.500 587 HA LYS 69 HA LYS 69 5.952 11.124 -0.670 588 HB2 LYS 69 HB2 LYS 69 6.738 11.066 1.717 589 HB3 LYS 69 HB1 LYS 69 5.532 12.298 1.376 590 HG2 LYS 69 HG2 LYS 69 3.814 10.997 2.414 591 HG3 LYS 69 HG1 LYS 69 4.902 9.620 2.594 592 HD2 LYS 69 HD2 LYS 69 6.198 10.731 4.225 593 HD3 LYS 69 HD1 LYS 69 5.468 12.293 3.850 594 HE2 LYS 69 HE2 LYS 69 3.527 11.810 4.983 595 HE3 LYS 69 HE1 LYS 69 3.722 10.068 4.791 596 HZ1 LYS 69 HZ1 LYS 69 5.094 11.864 6.701 597 HZ2 LYS 69 HZ2 LYS 69 5.689 10.321 6.346 598 HZ3 LYS 69 HZ3 LYS 69 4.154 10.498 7.034 599 H HIS 70 H HIS 70 4.227 8.587 1.061 600 HA HIS 70 HA HIS 70 6.356 6.737 1.192 601 HB2 HIS 70 HB2 HIS 70 3.356 6.398 1.271 602 HB3 HIS 70 HB1 HIS 70 4.468 5.045 1.451 603 HD1 HIS 70 HD1 HIS 70 3.131 4.978 3.854 604 HD2 HIS 70 HD2 HIS 70 5.884 8.035 3.273 605 HE1 HIS 70 HE1 HIS 70 3.670 5.839 6.153 606 HE2 HIS 70 HE2 HIS 70 5.280 7.741 5.772 607 H GLN 71 H GLN 71 4.093 7.615 -1.307 608 HA GLN 71 HA GLN 71 4.323 5.350 -2.957 609 HB2 GLN 71 HB2 GLN 71 3.660 8.236 -3.491 610 HB3 GLN 71 HB1 GLN 71 3.783 7.078 -4.808 611 HG2 GLN 71 HG2 GLN 71 2.025 5.734 -3.829 612 HG3 GLN 71 HG1 GLN 71 1.937 6.823 -2.446 613 HE21 GLN 71 HE21 GLN 71 2.175 7.431 -5.929 614 HE22 GLN 71 HE22 GLN 71 0.737 8.383 -6.038 615 H VAL 72 H VAL 72 6.180 8.367 -2.814 616 HA VAL 72 HA VAL 72 7.903 7.834 -4.974 617 HB VAL 72 HB VAL 72 8.782 9.330 -2.525 618 HG11 VAL 72 HG11 VAL 72 10.137 10.573 -4.006 619 HG12 VAL 72 HG12 VAL 72 9.283 9.959 -5.420 620 HG13 VAL 72 HG13 VAL 72 10.319 8.885 -4.481 621 HG21 VAL 72 HG21 VAL 72 6.602 10.016 -4.396 622 HG22 VAL 72 HG22 VAL 72 7.744 11.307 -4.019 623 HG23 VAL 72 HG23 VAL 72 6.857 10.508 -2.721 624 H GLU 73 H GLU 73 8.400 7.405 -1.462 625 HA GLU 73 HA GLU 73 10.874 6.090 -1.657 626 HB2 GLU 73 HB2 GLU 73 9.358 6.957 0.417 627 HB3 GLU 73 HB1 GLU 73 9.062 5.228 0.522 628 HG2 GLU 73 HG2 GLU 73 11.365 4.761 0.822 629 HG3 GLU 73 HG1 GLU 73 11.818 6.416 0.411 630 H TYR 74 H TYR 74 7.581 4.962 -1.930 631 HA TYR 74 HA TYR 74 8.030 2.191 -1.812 632 HB2 TYR 74 HB2 TYR 74 5.783 3.340 -1.809 633 HB3 TYR 74 HB1 TYR 74 5.985 3.616 -3.532 634 HD1 TYR 74 HD1 TYR 74 6.581 1.381 -4.895 635 HD2 TYR 74 HD2 TYR 74 4.539 1.522 -1.165 636 HE1 TYR 74 HE1 TYR 74 5.583 -0.817 -5.364 637 HE2 TYR 74 HE2 TYR 74 3.537 -0.674 -1.624 638 HH TYR 74 HH TYR 74 3.006 -1.996 -3.992 639 H ASP 75 H ASP 75 8.432 4.601 -4.309 640 HA ASP 75 HA ASP 75 8.903 2.759 -6.446 641 HB2 ASP 75 HB2 ASP 75 8.348 5.418 -6.344 642 HB3 ASP 75 HB1 ASP 75 10.084 5.459 -6.638 643 H GLN 76 H GLN 76 10.944 4.628 -4.232 644 HA GLN 76 HA GLN 76 13.418 3.888 -5.386 645 HB2 GLN 76 HB2 GLN 76 12.654 4.905 -2.657 646 HB3 GLN 76 HB1 GLN 76 14.320 4.549 -3.089 647 HG2 GLN 76 HG2 GLN 76 14.525 6.389 -4.358 648 HG3 GLN 76 HG1 GLN 76 12.879 6.273 -4.979 649 HE21 GLN 76 HE21 GLN 76 14.952 7.701 -2.670 650 HE22 GLN 76 HE22 GLN 76 13.773 8.690 -1.883 651 H LEU 77 H LEU 77 11.283 2.288 -3.156 652 HA LEU 77 HA LEU 77 13.297 0.376 -2.321 653 HB2 LEU 77 HB2 LEU 77 10.338 0.469 -1.741 654 HB3 LEU 77 HB1 LEU 77 11.494 -0.611 -0.984 655 HG LEU 77 HG LEU 77 11.999 2.313 -0.771 656 HD11 LEU 77 HD11 LEU 77 9.504 1.733 -0.297 657 HD12 LEU 77 HD12 LEU 77 10.405 2.740 0.835 658 HD13 LEU 77 HD13 LEU 77 10.147 1.032 1.187 659 HD21 LEU 77 HD21 LEU 77 12.477 -0.144 0.876 660 HD22 LEU 77 HD22 LEU 77 12.599 1.467 1.582 661 HD23 LEU 77 HD23 LEU 77 13.646 1.012 0.237 662 H THR 78 H THR 78 10.701 0.570 -4.643 663 HA THR 78 HA THR 78 10.062 -2.040 -5.118 664 HB THR 78 HB THR 78 10.475 -0.711 -7.646 665 HG1 THR 78 HG1 THR 78 10.003 1.254 -7.152 666 HG21 THR 78 HG21 THR 78 8.430 -2.142 -6.310 667 HG22 THR 78 HG22 THR 78 8.530 -1.679 -8.009 668 HG23 THR 78 HG23 THR 78 7.771 -0.596 -6.843 669 HA PRO 79 HA PRO 79 13.868 -2.711 -7.931 670 HB2 PRO 79 HB2 PRO 79 15.689 -0.758 -8.217 671 HB3 PRO 79 HB1 PRO 79 14.195 -0.783 -9.161 672 HG2 PRO 79 HG2 PRO 79 14.877 0.825 -6.737 673 HG3 PRO 79 HG1 PRO 79 13.994 1.314 -8.193 674 HD2 PRO 79 HD2 PRO 79 12.798 0.607 -5.812 675 HD3 PRO 79 HD1 PRO 79 12.006 0.506 -7.396 676 H ARG 80 H ARG 80 16.428 -2.746 -7.677 677 HA ARG 80 HA ARG 80 17.098 -2.757 -4.814 678 HB2 ARG 80 HB2 ARG 80 18.356 -4.892 -5.213 679 HB3 ARG 80 HB1 ARG 80 16.608 -5.043 -5.318 680 HG2 ARG 80 HG2 ARG 80 16.864 -4.819 -7.818 681 HG3 ARG 80 HG1 ARG 80 18.600 -5.002 -7.565 682 HD2 ARG 80 HD2 ARG 80 18.298 -7.176 -6.612 683 HD3 ARG 80 HD1 ARG 80 16.545 -6.981 -6.595 684 HE ARG 80 HE ARG 80 17.162 -6.725 -9.212 685 HH11 ARG 80 HH11 ARG 80 17.950 -9.133 -6.811 686 HH12 ARG 80 HH12 ARG 80 18.037 -10.427 -7.958 687 HH21 ARG 80 HH21 ARG 80 17.276 -8.427 -10.721 688 HH22 ARG 80 HH22 ARG 80 17.655 -10.027 -10.176 689 H1 ASP 100 H ASP 100 -3.355 11.442 10.497 690 HA ASP 100 HA ASP 100 -5.810 11.593 9.116 691 HB2 ASP 100 HB2 ASP 100 -4.680 14.120 9.788 692 HB3 ASP 100 HB1 ASP 100 -4.499 13.900 8.050 693 H ASP 101 H ASP 101 -3.482 9.949 9.179 694 HA ASP 101 HA ASP 101 -2.622 10.212 6.377 695 HB2 ASP 101 HB2 ASP 101 -0.986 10.024 8.810 696 HB3 ASP 101 HB1 ASP 101 -0.531 8.878 7.552 697 H ASP 102 H ASP 102 -2.499 8.338 5.192 698 HA ASP 102 HA ASP 102 -2.990 6.210 4.562 699 HB2 ASP 102 HB2 ASP 102 -2.401 5.532 7.452 700 HB3 ASP 102 HB1 ASP 102 -2.435 4.400 6.103 701 H ARG 103 H ARG 103 -5.163 7.809 5.145 702 HA ARG 103 HA ARG 103 -7.024 6.688 6.932 703 HB2 ARG 103 HB2 ARG 103 -7.109 8.972 5.800 704 HB3 ARG 103 HB1 ARG 103 -7.736 8.137 4.386 705 HG2 ARG 103 HG2 ARG 103 -9.704 8.703 5.340 706 HG3 ARG 103 HG1 ARG 103 -9.437 7.183 6.194 707 HD2 ARG 103 HD2 ARG 103 -8.336 9.707 7.337 708 HD3 ARG 103 HD1 ARG 103 -10.058 9.372 7.502 709 HE ARG 103 HE ARG 103 -8.400 7.172 8.295 710 HH11 ARG 103 HH11 ARG 103 -9.824 10.178 9.346 711 HH12 ARG 103 HH12 ARG 103 -9.797 9.751 11.024 712 HH21 ARG 103 HH21 ARG 103 -8.363 6.606 10.501 713 HH22 ARG 103 HH22 ARG 103 -8.966 7.723 11.680 714 H TYR 104 H TYR 104 -6.577 6.224 3.437 715 HA TYR 104 HA TYR 104 -8.701 4.443 3.038 716 HB2 TYR 104 HB2 TYR 104 -6.107 4.902 1.579 717 HB3 TYR 104 HB1 TYR 104 -7.238 3.655 1.060 718 HD1 TYR 104 HD1 TYR 104 -9.835 4.832 1.318 719 HD2 TYR 104 HD2 TYR 104 -6.198 6.671 0.102 720 HE1 TYR 104 HE1 TYR 104 -11.115 6.514 0.057 721 HE2 TYR 104 HE2 TYR 104 -7.466 8.358 -1.161 722 HH TYR 104 HH TYR 104 -10.524 8.058 -2.074 723 H LEU 105 H LEU 105 -5.393 3.910 4.110 724 HA LEU 105 HA LEU 105 -5.268 1.137 3.877 725 HB2 LEU 105 HB2 LEU 105 -3.797 3.224 5.244 726 HB3 LEU 105 HB1 LEU 105 -3.880 1.771 6.220 727 HG LEU 105 HG LEU 105 -3.198 0.822 3.704 728 HD11 LEU 105 HD11 LEU 105 -1.284 3.045 4.203 729 HD12 LEU 105 HD12 LEU 105 -2.770 3.383 3.316 730 HD13 LEU 105 HD13 LEU 105 -1.640 2.172 2.713 731 HD21 LEU 105 HD21 LEU 105 -1.000 1.469 5.570 732 HD22 LEU 105 HD22 LEU 105 -1.433 -0.062 4.811 733 HD23 LEU 105 HD23 LEU 105 -2.329 0.508 6.218 734 H ARG 106 H ARG 106 -6.261 3.090 6.685 735 HA ARG 106 HA ARG 106 -6.946 0.951 8.357 736 HB2 ARG 106 HB2 ARG 106 -6.663 3.369 9.024 737 HB3 ARG 106 HB1 ARG 106 -8.259 3.671 8.346 738 HG2 ARG 106 HG2 ARG 106 -9.285 2.220 9.949 739 HG3 ARG 106 HG1 ARG 106 -7.711 1.693 10.547 740 HD2 ARG 106 HD2 ARG 106 -8.171 4.600 10.588 741 HD3 ARG 106 HD1 ARG 106 -9.196 3.659 11.672 742 HE ARG 106 HE ARG 106 -6.421 2.961 11.853 743 HH11 ARG 106 HH11 ARG 106 -8.872 5.184 12.964 744 HH12 ARG 106 HH12 ARG 106 -8.037 5.566 14.432 745 HH21 ARG 106 HH21 ARG 106 -5.322 3.461 13.785 746 HH22 ARG 106 HH22 ARG 106 -6.022 4.589 14.898 747 H GLU 107 H GLU 107 -8.707 2.557 5.796 748 HA GLU 107 HA GLU 107 -11.295 1.669 6.379 749 HB2 GLU 107 HB2 GLU 107 -10.038 3.087 4.309 750 HB3 GLU 107 HB1 GLU 107 -10.805 1.711 3.530 751 HG2 GLU 107 HG2 GLU 107 -12.252 3.542 5.419 752 HG3 GLU 107 HG1 GLU 107 -12.181 3.804 3.678 753 H ALA 108 H ALA 108 -8.961 0.255 4.073 754 HA ALA 108 HA ALA 108 -10.502 -2.113 3.695 755 HB1 ALA 108 HB1 ALA 108 -9.083 -1.485 1.916 756 HB2 ALA 108 HB2 ALA 108 -8.375 -2.949 2.600 757 HB3 ALA 108 HB3 ALA 108 -7.677 -1.374 2.976 758 H ILE 109 H ILE 109 -7.634 -1.317 5.606 759 HA ILE 109 HA ILE 109 -7.017 -3.851 6.574 760 HB ILE 109 HB ILE 109 -6.657 -1.121 7.808 761 HG12 ILE 109 HG12 ILE 109 -4.625 -3.027 6.635 762 HG13 ILE 109 HG11 ILE 109 -5.409 -1.751 5.710 763 HG21 ILE 109 HG21 ILE 109 -6.731 -2.669 9.648 764 HG22 ILE 109 HG22 ILE 109 -5.058 -2.187 9.369 765 HG23 ILE 109 HG23 ILE 109 -5.625 -3.765 8.821 766 HD11 ILE 109 HD11 ILE 109 -4.258 -0.086 6.771 767 HD12 ILE 109 HD12 ILE 109 -3.061 -1.382 6.784 768 HD13 ILE 109 HD13 ILE 109 -4.007 -1.041 8.234 769 H GLN 110 H GLN 110 -9.021 -1.337 8.126 770 HA GLN 110 HA GLN 110 -9.842 -2.941 10.288 771 HB2 GLN 110 HB2 GLN 110 -10.014 -0.453 10.210 772 HB3 GLN 110 HB1 GLN 110 -11.332 -0.613 9.056 773 HG2 GLN 110 HG2 GLN 110 -12.813 -0.969 10.665 774 HG3 GLN 110 HG1 GLN 110 -11.805 -2.204 11.418 775 HE21 GLN 110 HE21 GLN 110 -11.452 1.292 10.911 776 HE22 GLN 110 HE22 GLN 110 -11.153 1.676 12.569 777 H GLU 111 H GLU 111 -11.104 -2.517 7.041 778 HA GLU 111 HA GLU 111 -13.614 -3.669 7.322 779 HB2 GLU 111 HB2 GLU 111 -12.088 -2.784 5.203 780 HB3 GLU 111 HB1 GLU 111 -12.209 -4.510 4.888 781 HG2 GLU 111 HG2 GLU 111 -13.986 -3.431 3.745 782 HG3 GLU 111 HG1 GLU 111 -14.678 -4.311 5.108 783 H TYR 112 H TYR 112 -10.479 -5.196 6.772 784 HA TYR 112 HA TYR 112 -11.496 -7.856 6.754 785 HB2 TYR 112 HB2 TYR 112 -9.270 -7.107 5.789 786 HB3 TYR 112 HB1 TYR 112 -8.675 -7.010 7.443 787 HD1 TYR 112 HD1 TYR 112 -9.855 -9.293 4.805 788 HD2 TYR 112 HD2 TYR 112 -8.127 -8.990 8.682 789 HE1 TYR 112 HE1 TYR 112 -9.289 -11.686 4.734 790 HE2 TYR 112 HE2 TYR 112 -7.558 -11.381 8.622 791 HH TYR 112 HH TYR 112 -7.650 -13.223 5.801 792 H ASP 113 H ASP 113 -10.339 -5.644 9.216 793 HA ASP 113 HA ASP 113 -10.045 -7.473 11.329 794 HB2 ASP 113 HB2 ASP 113 -9.619 -4.816 11.083 795 HB3 ASP 113 HB1 ASP 113 -11.140 -4.789 11.970 796 H ASN 114 H ASN 114 -12.835 -5.993 9.859 797 HA ASN 114 HA ASN 114 -14.649 -6.806 11.950 798 HB2 ASN 114 HB2 ASN 114 -14.729 -5.006 9.746 799 HB3 ASN 114 HB1 ASN 114 -16.037 -6.165 9.535 800 HD21 ASN 114 HD21 ASN 114 -17.863 -5.760 10.549 801 HD22 ASN 114 HD22 ASN 114 -18.063 -4.688 11.890 802 H ILE 115 H ILE 115 -13.626 -7.954 8.787 803 HA ILE 115 HA ILE 115 -15.637 -9.898 8.422 804 HB ILE 115 HB ILE 115 -12.800 -9.891 7.381 805 HG12 ILE 115 HG12 ILE 115 -15.237 -9.145 5.799 806 HG13 ILE 115 HG11 ILE 115 -14.479 -7.955 6.852 807 HG21 ILE 115 HG21 ILE 115 -14.790 -11.903 7.255 808 HG22 ILE 115 HG22 ILE 115 -13.213 -11.868 6.469 809 HG23 ILE 115 HG23 ILE 115 -14.623 -11.207 5.642 810 HD11 ILE 115 HD11 ILE 115 -13.712 -8.829 4.233 811 HD12 ILE 115 HD12 ILE 115 -12.394 -9.079 5.379 812 HD13 ILE 115 HD13 ILE 115 -13.105 -7.477 5.188 813 H ALA 116 H ALA 116 -12.600 -9.921 10.171 814 HA ALA 116 HA ALA 116 -12.851 -12.765 10.760 815 HB1 ALA 116 HB1 ALA 116 -10.647 -11.688 10.177 816 HB2 ALA 116 HB2 ALA 116 -10.658 -12.651 11.654 817 HB3 ALA 116 HB3 ALA 116 -10.714 -10.890 11.749 818 H LYS 117 H LYS 117 -14.976 -11.451 11.797 819 HA LYS 117 HA LYS 117 -14.464 -11.642 14.672 820 HB2 LYS 117 HB2 LYS 117 -16.013 -9.416 13.337 821 HB3 LYS 117 HB1 LYS 117 -15.956 -9.696 15.072 822 HG2 LYS 117 HG2 LYS 117 -13.349 -9.440 13.726 823 HG3 LYS 117 HG1 LYS 117 -14.344 -7.984 13.781 824 HD2 LYS 117 HD2 LYS 117 -14.286 -9.402 16.322 825 HD3 LYS 117 HD1 LYS 117 -12.682 -8.900 15.786 826 HE2 LYS 117 HE2 LYS 117 -13.733 -7.183 17.172 827 HE3 LYS 117 HE1 LYS 117 -13.471 -6.610 15.525 828 HZ1 LYS 117 HZ1 LYS 117 -16.057 -7.823 16.152 829 HZ2 LYS 117 HZ2 LYS 117 -15.687 -6.559 15.092 830 HZ3 LYS 117 HZ3 LYS 117 -15.752 -6.273 16.758 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -17.761 9.588 -0.204 2 H2 MET 1 HT2 MET 1 -19.464 9.415 -0.324 3 H3 MET 1 HT3 MET 1 -18.434 8.582 -1.416 4 HA MET 1 HA MET 1 -18.818 8.120 1.457 5 HB2 MET 1 HB2 MET 1 -19.374 6.668 -1.110 6 HB3 MET 1 HB1 MET 1 -19.140 5.756 0.375 7 HG2 MET 1 HG2 MET 1 -20.942 7.229 1.386 8 HG3 MET 1 HG1 MET 1 -21.282 7.756 -0.261 9 HE1 MET 1 HE1 MET 1 -23.469 7.021 1.065 10 HE2 MET 1 HE2 MET 1 -23.310 5.551 2.028 11 HE3 MET 1 HE3 MET 1 -24.263 5.535 0.544 12 H ASP 2 H ASP 2 -17.655 5.960 2.019 13 HA ASP 2 HA ASP 2 -15.046 5.706 0.757 14 HB2 ASP 2 HB2 ASP 2 -15.493 6.790 3.503 15 HB3 ASP 2 HB1 ASP 2 -14.110 5.733 3.240 16 H ARG 3 H ARG 3 -17.402 4.026 1.005 17 HA ARG 3 HA ARG 3 -16.389 1.859 2.703 18 HB2 ARG 3 HB2 ARG 3 -19.131 2.547 1.695 19 HB3 ARG 3 HB1 ARG 3 -18.756 0.911 2.219 20 HG2 ARG 3 HG2 ARG 3 -19.135 1.498 4.314 21 HG3 ARG 3 HG1 ARG 3 -17.818 2.668 4.224 22 HD2 ARG 3 HD2 ARG 3 -20.303 3.551 2.947 23 HD3 ARG 3 HD1 ARG 3 -20.440 3.278 4.682 24 HE ARG 3 HE ARG 3 -19.075 5.418 3.390 25 HH11 ARG 3 HH11 ARG 3 -19.017 3.369 6.215 26 HH12 ARG 3 HH12 ARG 3 -18.180 4.528 7.192 27 HH21 ARG 3 HH21 ARG 3 -17.971 6.943 4.674 28 HH22 ARG 3 HH22 ARG 3 -17.586 6.557 6.318 29 H LYS 4 H LYS 4 -17.255 2.741 -0.558 30 HA LYS 4 HA LYS 4 -17.160 0.113 -1.649 31 HB2 LYS 4 HB2 LYS 4 -17.225 2.882 -2.762 32 HB3 LYS 4 HB1 LYS 4 -16.741 1.567 -3.824 33 HG2 LYS 4 HG2 LYS 4 -18.855 0.408 -3.289 34 HG3 LYS 4 HG1 LYS 4 -19.342 1.806 -2.330 35 HD2 LYS 4 HD2 LYS 4 -18.705 3.040 -4.626 36 HD3 LYS 4 HD1 LYS 4 -19.197 1.468 -5.264 37 HE2 LYS 4 HE2 LYS 4 -21.338 1.654 -4.128 38 HE3 LYS 4 HE1 LYS 4 -20.846 3.191 -3.418 39 HZ1 LYS 4 HZ1 LYS 4 -21.077 2.704 -6.337 40 HZ2 LYS 4 HZ2 LYS 4 -20.790 4.185 -5.574 41 HZ3 LYS 4 HZ3 LYS 4 -22.287 3.420 -5.394 42 H VAL 5 H VAL 5 -14.772 2.605 -1.055 43 HA VAL 5 HA VAL 5 -12.706 1.787 -2.707 44 HB VAL 5 HB VAL 5 -12.391 2.756 0.141 45 HG11 VAL 5 HG11 VAL 5 -10.209 3.485 -0.505 46 HG12 VAL 5 HG12 VAL 5 -10.502 3.049 -2.189 47 HG13 VAL 5 HG13 VAL 5 -10.366 1.789 -0.962 48 HG21 VAL 5 HG21 VAL 5 -12.065 4.692 -2.026 49 HG22 VAL 5 HG22 VAL 5 -12.911 4.843 -0.486 50 HG23 VAL 5 HG23 VAL 5 -13.709 4.076 -1.859 51 H ALA 6 H ALA 6 -13.840 0.436 0.320 52 HA ALA 6 HA ALA 6 -11.672 -1.391 0.662 53 HB1 ALA 6 HB1 ALA 6 -12.954 -0.709 2.582 54 HB2 ALA 6 HB2 ALA 6 -13.149 -2.447 2.349 55 HB3 ALA 6 HB3 ALA 6 -14.435 -1.342 1.865 56 H ARG 7 H ARG 7 -14.886 -1.548 -0.783 57 HA ARG 7 HA ARG 7 -14.868 -4.341 -1.278 58 HB2 ARG 7 HB2 ARG 7 -16.871 -2.735 -1.270 59 HB3 ARG 7 HB1 ARG 7 -16.388 -2.318 -2.909 60 HG2 ARG 7 HG2 ARG 7 -16.573 -5.192 -2.470 61 HG3 ARG 7 HG1 ARG 7 -18.095 -4.341 -2.196 62 HD2 ARG 7 HD2 ARG 7 -17.278 -3.164 -4.486 63 HD3 ARG 7 HD1 ARG 7 -16.582 -4.772 -4.687 64 HE ARG 7 HE ARG 7 -19.125 -5.303 -3.956 65 HH11 ARG 7 HH11 ARG 7 -17.743 -3.260 -6.425 66 HH12 ARG 7 HH12 ARG 7 -19.086 -3.442 -7.504 67 HH21 ARG 7 HH21 ARG 7 -20.892 -5.545 -5.373 68 HH22 ARG 7 HH22 ARG 7 -20.874 -4.738 -6.906 69 H GLU 8 H GLU 8 -13.860 -1.544 -3.163 70 HA GLU 8 HA GLU 8 -13.313 -3.026 -5.534 71 HB2 GLU 8 HB2 GLU 8 -12.599 -0.271 -4.569 72 HB3 GLU 8 HB1 GLU 8 -11.884 -0.912 -6.042 73 HG2 GLU 8 HG2 GLU 8 -14.716 -1.320 -6.088 74 HG3 GLU 8 HG1 GLU 8 -14.360 0.369 -5.734 75 H PHE 9 H PHE 9 -11.268 -1.725 -2.934 76 HA PHE 9 HA PHE 9 -8.828 -2.721 -3.922 77 HB2 PHE 9 HB2 PHE 9 -8.990 -0.994 -2.158 78 HB3 PHE 9 HB1 PHE 9 -9.621 -2.204 -1.046 79 HD1 PHE 9 HD2 PHE 9 -6.666 -1.505 -3.200 80 HD2 PHE 9 HD1 PHE 9 -8.170 -3.361 0.323 81 HE1 PHE 9 HE2 PHE 9 -4.371 -2.077 -2.527 82 HE2 PHE 9 HE1 PHE 9 -5.875 -3.936 1.003 83 HZ PHE 9 HZ PHE 9 -3.973 -3.294 -0.423 84 H ARG 10 H ARG 10 -11.282 -4.092 -1.799 85 HA ARG 10 HA ARG 10 -9.839 -6.457 -1.162 86 HB2 ARG 10 HB2 ARG 10 -11.744 -5.541 0.176 87 HB3 ARG 10 HB1 ARG 10 -12.831 -6.033 -1.114 88 HG2 ARG 10 HG2 ARG 10 -11.048 -8.122 -0.036 89 HG3 ARG 10 HG1 ARG 10 -12.319 -7.535 1.038 90 HD2 ARG 10 HD2 ARG 10 -13.450 -7.931 -1.539 91 HD3 ARG 10 HD1 ARG 10 -12.523 -9.371 -1.123 92 HE ARG 10 HE ARG 10 -15.000 -8.571 -0.003 93 HH11 ARG 10 HH11 ARG 10 -11.966 -10.083 0.825 94 HH12 ARG 10 HH12 ARG 10 -12.635 -10.994 2.137 95 HH21 ARG 10 HH21 ARG 10 -15.881 -9.767 1.723 96 HH22 ARG 10 HH22 ARG 10 -14.858 -10.815 2.647 97 H HIS 11 H HIS 11 -12.477 -5.768 -3.463 98 HA HIS 11 HA HIS 11 -12.646 -8.348 -4.542 99 HB2 HIS 11 HB2 HIS 11 -14.220 -6.320 -4.865 100 HB3 HIS 11 HB1 HIS 11 -13.138 -5.872 -6.180 101 HD1 HIS 11 HD1 HIS 11 -16.148 -6.696 -6.563 102 HD2 HIS 11 HD2 HIS 11 -12.872 -9.194 -7.093 103 HE1 HIS 11 HE1 HIS 11 -16.932 -8.513 -8.115 104 HE2 HIS 11 HE2 HIS 11 -14.956 -10.057 -8.356 105 H LYS 12 H LYS 12 -10.629 -5.588 -5.425 106 HA LYS 12 HA LYS 12 -9.515 -6.644 -7.769 107 HB2 LYS 12 HB2 LYS 12 -8.698 -4.570 -5.789 108 HB3 LYS 12 HB1 LYS 12 -7.479 -5.153 -6.914 109 HG2 LYS 12 HG2 LYS 12 -10.146 -4.209 -7.891 110 HG3 LYS 12 HG1 LYS 12 -8.843 -3.070 -7.540 111 HD2 LYS 12 HD2 LYS 12 -8.240 -3.442 -9.673 112 HD3 LYS 12 HD1 LYS 12 -7.543 -4.934 -9.037 113 HE2 LYS 12 HE2 LYS 12 -10.119 -5.687 -9.428 114 HE3 LYS 12 HE1 LYS 12 -9.913 -4.516 -10.730 115 HZ1 LYS 12 HZ1 LYS 12 -8.370 -6.997 -10.249 116 HZ2 LYS 12 HZ2 LYS 12 -7.825 -5.787 -11.297 117 HZ3 LYS 12 HZ3 LYS 12 -9.284 -6.581 -11.611 118 H VAL 13 H VAL 13 -8.444 -6.850 -4.392 119 HA VAL 13 HA VAL 13 -6.080 -8.244 -4.743 120 HB VAL 13 HB VAL 13 -8.047 -8.599 -2.478 121 HG11 VAL 13 HG11 VAL 13 -5.077 -9.123 -2.582 122 HG12 VAL 13 HG12 VAL 13 -6.343 -10.351 -2.547 123 HG13 VAL 13 HG13 VAL 13 -6.111 -9.285 -1.162 124 HG21 VAL 13 HG21 VAL 13 -6.732 -6.283 -3.261 125 HG22 VAL 13 HG22 VAL 13 -5.747 -6.921 -1.945 126 HG23 VAL 13 HG23 VAL 13 -7.463 -6.599 -1.689 127 H ASP 14 H ASP 14 -9.337 -9.581 -4.224 128 HA ASP 14 HA ASP 14 -8.448 -12.273 -4.589 129 HB2 ASP 14 HB2 ASP 14 -10.798 -12.888 -4.499 130 HB3 ASP 14 HB1 ASP 14 -10.432 -11.727 -3.229 131 H PHE 15 H PHE 15 -9.206 -9.738 -6.747 132 HA PHE 15 HA PHE 15 -10.177 -11.296 -8.921 133 HB2 PHE 15 HB2 PHE 15 -9.809 -8.564 -8.381 134 HB3 PHE 15 HB1 PHE 15 -8.774 -8.906 -9.763 135 HD1 PHE 15 HD2 PHE 15 -9.886 -10.244 -11.701 136 HD2 PHE 15 HD1 PHE 15 -12.039 -8.101 -8.723 137 HE1 PHE 15 HE2 PHE 15 -11.841 -10.146 -13.192 138 HE2 PHE 15 HE1 PHE 15 -13.999 -7.999 -10.206 139 HZ PHE 15 HZ PHE 15 -13.902 -9.023 -12.444 140 H LEU 16 H LEU 16 -7.034 -10.262 -7.802 141 HA LEU 16 HA LEU 16 -5.699 -11.495 -10.079 142 HB2 LEU 16 HB2 LEU 16 -4.123 -10.375 -7.840 143 HB3 LEU 16 HB1 LEU 16 -3.864 -10.245 -9.569 144 HG LEU 16 HG LEU 16 -6.198 -8.774 -8.465 145 HD11 LEU 16 HD11 LEU 16 -3.349 -8.166 -7.788 146 HD12 LEU 16 HD12 LEU 16 -4.786 -8.086 -6.769 147 HD13 LEU 16 HD13 LEU 16 -4.514 -6.860 -8.007 148 HD21 LEU 16 HD21 LEU 16 -4.280 -8.600 -10.710 149 HD22 LEU 16 HD22 LEU 16 -4.885 -7.074 -10.063 150 HD23 LEU 16 HD23 LEU 16 -6.015 -8.285 -10.668 151 H ILE 17 H ILE 17 -5.655 -11.694 -6.548 152 HA ILE 17 HA ILE 17 -3.979 -13.965 -6.399 153 HB ILE 17 HB ILE 17 -5.868 -12.691 -4.434 154 HG12 ILE 17 HG12 ILE 17 -3.505 -12.531 -3.280 155 HG13 ILE 17 HG11 ILE 17 -2.931 -12.743 -4.930 156 HG21 ILE 17 HG21 ILE 17 -5.981 -14.648 -3.348 157 HG22 ILE 17 HG22 ILE 17 -4.304 -14.335 -2.908 158 HG23 ILE 17 HG23 ILE 17 -4.671 -15.356 -4.296 159 HD11 ILE 17 HD11 ILE 17 -4.780 -10.569 -3.977 160 HD12 ILE 17 HD12 ILE 17 -4.186 -10.774 -5.624 161 HD13 ILE 17 HD13 ILE 17 -3.060 -10.392 -4.320 162 H GLU 18 H GLU 18 -7.489 -13.648 -6.053 163 HA GLU 18 HA GLU 18 -9.164 -15.121 -6.228 164 HB2 GLU 18 HB2 GLU 18 -7.437 -16.723 -8.058 165 HB3 GLU 18 HB1 GLU 18 -9.176 -16.485 -8.125 166 HG2 GLU 18 HG2 GLU 18 -8.032 -13.942 -8.369 167 HG3 GLU 18 HG1 GLU 18 -7.085 -15.010 -9.403 168 H ASN 19 H ASN 19 -6.518 -15.815 -4.686 169 HA ASN 19 HA ASN 19 -7.258 -18.571 -4.004 170 HB2 ASN 19 HB2 ASN 19 -4.773 -17.500 -4.609 171 HB3 ASN 19 HB1 ASN 19 -4.755 -17.610 -2.852 172 HD21 ASN 19 HD21 ASN 19 -3.311 -19.263 -2.712 173 HD22 ASN 19 HD22 ASN 19 -3.644 -20.869 -3.253 174 H ASP 20 H ASP 20 -6.026 -18.732 -1.513 175 HA ASP 20 HA ASP 20 -7.559 -16.807 0.092 176 HB2 ASP 20 HB2 ASP 20 -8.248 -19.403 -0.106 177 HB3 ASP 20 HB1 ASP 20 -7.094 -19.507 1.220 178 H ALA 21 H ALA 21 -4.900 -19.170 0.237 179 HA ALA 21 HA ALA 21 -3.732 -18.232 2.596 180 HB1 ALA 21 HB1 ALA 21 -3.051 -20.347 1.788 181 HB2 ALA 21 HB2 ALA 21 -1.632 -19.306 1.686 182 HB3 ALA 21 HB3 ALA 21 -2.561 -19.677 0.232 183 H GLU 22 H GLU 22 -3.366 -17.178 -0.734 184 HA GLU 22 HA GLU 22 -1.158 -15.454 -0.275 185 HB2 GLU 22 HB2 GLU 22 -3.118 -15.871 -2.480 186 HB3 GLU 22 HB1 GLU 22 -2.207 -14.367 -2.466 187 HG2 GLU 22 HG2 GLU 22 -0.120 -15.605 -2.481 188 HG3 GLU 22 HG1 GLU 22 -1.009 -17.127 -2.434 189 H LYS 23 H LYS 23 -4.666 -14.899 -0.485 190 HA LYS 23 HA LYS 23 -4.546 -12.107 -0.049 191 HB2 LYS 23 HB2 LYS 23 -6.519 -13.672 -0.840 192 HB3 LYS 23 HB1 LYS 23 -6.887 -13.725 0.879 193 HG2 LYS 23 HG2 LYS 23 -6.711 -11.119 0.679 194 HG3 LYS 23 HG1 LYS 23 -7.033 -11.444 -1.025 195 HD2 LYS 23 HD2 LYS 23 -8.735 -12.450 1.251 196 HD3 LYS 23 HD1 LYS 23 -9.078 -10.987 0.326 197 HE2 LYS 23 HE2 LYS 23 -8.789 -12.726 -1.690 198 HE3 LYS 23 HE1 LYS 23 -9.350 -13.833 -0.438 199 HZ1 LYS 23 HZ1 LYS 23 -11.300 -12.492 -0.123 200 HZ2 LYS 23 HZ2 LYS 23 -11.167 -12.881 -1.765 201 HZ3 LYS 23 HZ3 LYS 23 -10.747 -11.333 -1.225 202 H ASP 24 H ASP 24 -4.602 -14.871 2.098 203 HA ASP 24 HA ASP 24 -5.170 -13.500 4.491 204 HB2 ASP 24 HB2 ASP 24 -5.180 -16.000 4.183 205 HB3 ASP 24 HB1 ASP 24 -3.419 -15.950 4.191 206 H TYR 25 H TYR 25 -2.103 -14.359 2.923 207 HA TYR 25 HA TYR 25 -0.462 -13.114 4.868 208 HB2 TYR 25 HB2 TYR 25 0.388 -14.855 3.340 209 HB3 TYR 25 HB1 TYR 25 0.156 -13.765 1.976 210 HD1 TYR 25 HD1 TYR 25 1.838 -13.711 5.319 211 HD2 TYR 25 HD2 TYR 25 2.047 -12.714 1.190 212 HE1 TYR 25 HE1 TYR 25 4.108 -12.828 5.654 213 HE2 TYR 25 HE2 TYR 25 4.317 -11.828 1.513 214 HH TYR 25 HH TYR 25 6.229 -12.237 3.204 215 H LEU 26 H LEU 26 -1.621 -12.025 1.671 216 HA LEU 26 HA LEU 26 -0.332 -9.537 1.715 217 HB2 LEU 26 HB2 LEU 26 -1.844 -10.750 -0.122 218 HB3 LEU 26 HB1 LEU 26 -3.079 -9.715 0.567 219 HG LEU 26 HG LEU 26 -0.459 -8.614 -0.421 220 HD11 LEU 26 HD11 LEU 26 -2.110 -9.946 -2.081 221 HD12 LEU 26 HD12 LEU 26 -1.135 -8.558 -2.564 222 HD13 LEU 26 HD13 LEU 26 -2.831 -8.337 -2.137 223 HD21 LEU 26 HD21 LEU 26 -2.870 -6.997 -0.632 224 HD22 LEU 26 HD22 LEU 26 -1.304 -6.610 0.081 225 HD23 LEU 26 HD23 LEU 26 -2.512 -7.478 1.027 226 H TYR 27 H TYR 27 -3.431 -10.612 3.000 227 HA TYR 27 HA TYR 27 -4.285 -8.111 3.989 228 HB2 TYR 27 HB2 TYR 27 -5.000 -10.944 4.442 229 HB3 TYR 27 HB1 TYR 27 -5.326 -9.873 5.798 230 HD1 TYR 27 HD2 TYR 27 -6.160 -7.401 4.516 231 HD2 TYR 27 HD1 TYR 27 -7.046 -11.426 3.456 232 HE1 TYR 27 HE2 TYR 27 -8.238 -6.652 3.435 233 HE2 TYR 27 HE1 TYR 27 -9.126 -10.688 2.371 234 HH TYR 27 HH TYR 27 -9.788 -7.446 1.678 235 H ASP 28 H ASP 28 -2.091 -10.586 5.175 236 HA ASP 28 HA ASP 28 -1.773 -9.464 7.784 237 HB2 ASP 28 HB2 ASP 28 -0.499 -11.627 6.195 238 HB3 ASP 28 HB1 ASP 28 0.469 -10.922 7.486 239 H VAL 29 H VAL 29 -0.232 -9.021 4.653 240 HA VAL 29 HA VAL 29 2.077 -7.667 5.554 241 HB VAL 29 HB VAL 29 0.632 -7.347 2.915 242 HG11 VAL 29 HG11 VAL 29 2.741 -6.526 2.051 243 HG12 VAL 29 HG12 VAL 29 3.497 -6.731 3.631 244 HG13 VAL 29 HG13 VAL 29 2.223 -5.530 3.412 245 HG21 VAL 29 HG21 VAL 29 2.617 -9.339 3.926 246 HG22 VAL 29 HG22 VAL 29 2.604 -8.898 2.218 247 HG23 VAL 29 HG23 VAL 29 1.165 -9.594 2.959 248 H LEU 30 H LEU 30 -0.989 -6.381 4.256 249 HA LEU 30 HA LEU 30 -0.370 -3.675 4.756 250 HB2 LEU 30 HB2 LEU 30 -3.111 -4.933 4.610 251 HB3 LEU 30 HB1 LEU 30 -2.724 -3.240 4.371 252 HG LEU 30 HG LEU 30 -1.524 -5.318 2.575 253 HD11 LEU 30 HD11 LEU 30 -3.552 -4.565 1.068 254 HD12 LEU 30 HD12 LEU 30 -4.340 -4.368 2.633 255 HD13 LEU 30 HD13 LEU 30 -3.681 -5.937 2.169 256 HD21 LEU 30 HD21 LEU 30 -1.365 -3.508 1.027 257 HD22 LEU 30 HD22 LEU 30 -0.736 -2.948 2.576 258 HD23 LEU 30 HD23 LEU 30 -2.353 -2.469 2.055 259 H ARG 31 H ARG 31 -1.794 -6.207 6.704 260 HA ARG 31 HA ARG 31 -2.760 -4.532 8.789 261 HB2 ARG 31 HB2 ARG 31 -2.314 -7.450 8.418 262 HB3 ARG 31 HB1 ARG 31 -2.454 -6.856 10.068 263 HG2 ARG 31 HG2 ARG 31 -4.560 -5.658 8.698 264 HG3 ARG 31 HG1 ARG 31 -4.504 -7.315 8.096 265 HD2 ARG 31 HD2 ARG 31 -4.800 -6.377 10.940 266 HD3 ARG 31 HD1 ARG 31 -5.938 -7.326 9.984 267 HE ARG 31 HE ARG 31 -3.748 -8.904 10.063 268 HH11 ARG 31 HH11 ARG 31 -5.588 -7.274 12.540 269 HH12 ARG 31 HH12 ARG 31 -5.244 -8.460 13.752 270 HH21 ARG 31 HH21 ARG 31 -3.292 -10.464 11.657 271 HH22 ARG 31 HH22 ARG 31 -3.939 -10.271 13.251 272 H MET 32 H MET 32 0.275 -6.234 8.206 273 HA MET 32 HA MET 32 1.383 -5.565 10.765 274 HB2 MET 32 HB2 MET 32 2.522 -7.393 10.085 275 HB3 MET 32 HB1 MET 32 2.168 -7.097 8.394 276 HG2 MET 32 HG2 MET 32 4.380 -6.820 8.262 277 HG3 MET 32 HG1 MET 32 4.016 -5.190 8.812 278 HE1 MET 32 HE1 MET 32 3.064 -5.913 11.747 279 HE2 MET 32 HE2 MET 32 4.168 -4.548 11.589 280 HE3 MET 32 HE3 MET 32 4.510 -5.826 12.753 281 H TYR 33 H TYR 33 1.498 -4.272 7.503 282 HA TYR 33 HA TYR 33 3.537 -2.370 7.912 283 HB2 TYR 33 HB2 TYR 33 2.919 -2.922 5.667 284 HB3 TYR 33 HB1 TYR 33 1.238 -2.489 5.956 285 HD1 TYR 33 HD1 TYR 33 4.365 -0.618 6.762 286 HD2 TYR 33 HD2 TYR 33 0.772 -0.751 4.486 287 HE1 TYR 33 HE1 TYR 33 4.809 1.655 5.937 288 HE2 TYR 33 HE2 TYR 33 1.208 1.521 3.655 289 HH TYR 33 HH TYR 33 2.463 3.502 4.287 290 H HIS 34 H HIS 34 0.103 -2.366 8.578 291 HA HIS 34 HA HIS 34 -0.235 0.403 8.977 292 HB2 HIS 34 HB2 HIS 34 -2.087 -1.252 8.713 293 HB3 HIS 34 HB1 HIS 34 -1.740 -1.840 10.335 294 HD1 HIS 34 HD1 HIS 34 -2.264 -0.180 12.320 295 HD2 HIS 34 HD2 HIS 34 -3.604 1.046 8.584 296 HE1 HIS 34 HE1 HIS 34 -3.908 1.669 12.770 297 HE2 HIS 34 HE2 HIS 34 -4.641 2.452 10.490 298 H GLN 35 H GLN 35 0.733 -2.207 11.145 299 HA GLN 35 HA GLN 35 0.806 -0.520 13.465 300 HB2 GLN 35 HB2 GLN 35 1.178 -3.347 12.862 301 HB3 GLN 35 HB1 GLN 35 2.319 -2.757 14.063 302 HG2 GLN 35 HG2 GLN 35 -0.539 -2.041 14.400 303 HG3 GLN 35 HG1 GLN 35 -0.056 -3.707 14.719 304 HE21 GLN 35 HE21 GLN 35 2.306 -3.553 15.894 305 HE22 GLN 35 HE22 GLN 35 2.234 -2.637 17.358 306 H THR 36 H THR 36 3.361 -2.306 11.764 307 HA THR 36 HA THR 36 5.483 -0.930 13.010 308 HB THR 36 HB THR 36 5.770 -3.140 12.014 309 HG1 THR 36 HG1 THR 36 7.770 -2.717 11.504 310 HG21 THR 36 HG21 THR 36 4.478 -2.070 9.782 311 HG22 THR 36 HG22 THR 36 5.155 -3.689 9.968 312 HG23 THR 36 HG23 THR 36 6.136 -2.397 9.276 313 H MET 37 H MET 37 3.589 -0.236 10.166 314 HA MET 37 HA MET 37 3.541 1.551 8.752 315 HB2 MET 37 HB2 MET 37 4.903 2.674 11.163 316 HB3 MET 37 HB1 MET 37 4.872 3.632 9.689 317 HG2 MET 37 HG2 MET 37 2.414 2.492 10.991 318 HG3 MET 37 HG1 MET 37 3.034 4.110 11.308 319 HE1 MET 37 HE1 MET 37 -0.008 3.121 8.334 320 HE2 MET 37 HE2 MET 37 0.291 2.628 10.000 321 HE3 MET 37 HE3 MET 37 1.122 1.811 8.676 322 H ASP 38 H ASP 38 5.595 -0.469 8.487 323 HA ASP 38 HA ASP 38 7.852 1.058 7.395 324 HB2 ASP 38 HB2 ASP 38 7.984 -1.061 9.005 325 HB3 ASP 38 HB1 ASP 38 7.872 -1.919 7.471 326 H VAL 39 H VAL 39 7.633 1.599 5.337 327 HA VAL 39 HA VAL 39 5.899 0.214 3.538 328 HB VAL 39 HB VAL 39 7.992 2.289 2.872 329 HG11 VAL 39 HG11 VAL 39 5.562 1.295 1.392 330 HG12 VAL 39 HG12 VAL 39 7.249 1.158 0.899 331 HG13 VAL 39 HG13 VAL 39 6.468 2.740 0.944 332 HG21 VAL 39 HG21 VAL 39 5.161 3.073 3.061 333 HG22 VAL 39 HG22 VAL 39 6.618 3.944 3.546 334 HG23 VAL 39 HG23 VAL 39 5.949 2.693 4.594 335 H ALA 40 H ALA 40 9.259 -0.007 4.352 336 HA ALA 40 HA ALA 40 10.120 -1.276 1.948 337 HB1 ALA 40 HB1 ALA 40 11.295 -0.664 4.585 338 HB2 ALA 40 HB2 ALA 40 11.961 -0.449 2.965 339 HB3 ALA 40 HB3 ALA 40 11.983 -2.041 3.726 340 H VAL 41 H VAL 41 8.562 -2.309 4.852 341 HA VAL 41 HA VAL 41 9.251 -5.074 4.563 342 HB VAL 41 HB VAL 41 7.135 -3.770 6.282 343 HG11 VAL 41 HG11 VAL 41 6.648 -6.134 5.830 344 HG12 VAL 41 HG12 VAL 41 7.079 -5.866 7.518 345 HG13 VAL 41 HG13 VAL 41 8.254 -6.571 6.409 346 HG21 VAL 41 HG21 VAL 41 9.886 -4.772 7.010 347 HG22 VAL 41 HG22 VAL 41 8.717 -4.023 8.099 348 HG23 VAL 41 HG23 VAL 41 9.443 -3.079 6.796 349 H LEU 42 H LEU 42 6.307 -3.136 4.053 350 HA LEU 42 HA LEU 42 4.705 -5.247 3.130 351 HB2 LEU 42 HB2 LEU 42 3.144 -3.631 2.472 352 HB3 LEU 42 HB1 LEU 42 3.966 -2.928 3.850 353 HG LEU 42 HG LEU 42 5.462 -1.831 1.952 354 HD11 LEU 42 HD11 LEU 42 4.592 -1.699 -0.117 355 HD12 LEU 42 HD12 LEU 42 2.931 -1.620 0.472 356 HD13 LEU 42 HD13 LEU 42 3.750 -3.178 0.350 357 HD21 LEU 42 HD21 LEU 42 2.703 -0.809 2.608 358 HD22 LEU 42 HD22 LEU 42 4.106 0.145 2.130 359 HD23 LEU 42 HD23 LEU 42 4.095 -0.690 3.683 360 H VAL 43 H VAL 43 6.926 -3.081 1.452 361 HA VAL 43 HA VAL 43 6.244 -3.795 -1.182 362 HB VAL 43 HB VAL 43 8.918 -2.893 -0.090 363 HG11 VAL 43 HG11 VAL 43 9.722 -3.406 -2.106 364 HG12 VAL 43 HG12 VAL 43 8.733 -2.086 -2.732 365 HG13 VAL 43 HG13 VAL 43 8.113 -3.738 -2.748 366 HG21 VAL 43 HG21 VAL 43 8.186 -0.775 -0.180 367 HG22 VAL 43 HG22 VAL 43 6.576 -1.494 -0.146 368 HG23 VAL 43 HG23 VAL 43 7.307 -1.042 -1.685 369 H GLY 44 H GLY 44 8.538 -5.190 1.126 370 HA2 GLY 44 HA2 GLY 44 9.726 -7.057 -0.614 371 HA3 GLY 44 HA1 GLY 44 9.653 -7.198 1.138 372 H ASP 45 H ASP 45 7.049 -7.486 1.699 373 HA ASP 45 HA ASP 45 6.527 -10.170 1.073 374 HB2 ASP 45 HB2 ASP 45 4.570 -8.082 2.058 375 HB3 ASP 45 HB1 ASP 45 4.367 -9.829 2.167 376 H LEU 46 H LEU 46 5.021 -7.185 -0.159 377 HA LEU 46 HA LEU 46 3.118 -8.274 -1.823 378 HB2 LEU 46 HB2 LEU 46 4.672 -5.754 -1.807 379 HB3 LEU 46 HB1 LEU 46 3.896 -6.169 -3.321 380 HG LEU 46 HG LEU 46 2.467 -5.897 -0.673 381 HD11 LEU 46 HD11 LEU 46 1.895 -3.753 -1.208 382 HD12 LEU 46 HD12 LEU 46 2.063 -4.024 -2.943 383 HD13 LEU 46 HD13 LEU 46 3.499 -3.822 -1.939 384 HD21 LEU 46 HD21 LEU 46 1.280 -6.059 -3.433 385 HD22 LEU 46 HD22 LEU 46 0.445 -6.136 -1.881 386 HD23 LEU 46 HD23 LEU 46 1.483 -7.467 -2.390 387 H LYS 47 H LYS 47 6.558 -7.749 -2.486 388 HA LYS 47 HA LYS 47 6.504 -8.571 -5.182 389 HB2 LYS 47 HB2 LYS 47 8.583 -8.153 -3.113 390 HB3 LYS 47 HB1 LYS 47 9.021 -9.210 -4.448 391 HG2 LYS 47 HG2 LYS 47 9.223 -7.508 -5.874 392 HG3 LYS 47 HG1 LYS 47 7.732 -6.747 -5.318 393 HD2 LYS 47 HD2 LYS 47 8.824 -5.353 -3.936 394 HD3 LYS 47 HD1 LYS 47 9.923 -6.618 -3.381 395 HE2 LYS 47 HE2 LYS 47 10.363 -5.782 -6.151 396 HE3 LYS 47 HE1 LYS 47 10.615 -4.501 -4.968 397 HZ1 LYS 47 HZ1 LYS 47 11.804 -6.989 -4.183 398 HZ2 LYS 47 HZ2 LYS 47 12.489 -5.443 -4.263 399 HZ3 LYS 47 HZ3 LYS 47 12.422 -6.412 -5.650 400 H LEU 48 H LEU 48 7.336 -10.344 -2.214 401 HA LEU 48 HA LEU 48 7.924 -12.811 -3.306 402 HB2 LEU 48 HB2 LEU 48 6.639 -12.069 -0.688 403 HB3 LEU 48 HB1 LEU 48 7.054 -13.725 -1.090 404 HG LEU 48 HG LEU 48 9.217 -11.715 -1.350 405 HD11 LEU 48 HD11 LEU 48 9.565 -12.335 1.226 406 HD12 LEU 48 HD12 LEU 48 7.802 -12.296 1.177 407 HD13 LEU 48 HD13 LEU 48 8.730 -10.877 0.692 408 HD21 LEU 48 HD21 LEU 48 10.483 -13.620 -0.316 409 HD22 LEU 48 HD22 LEU 48 9.740 -13.973 -1.877 410 HD23 LEU 48 HD23 LEU 48 8.991 -14.559 -0.392 411 H VAL 49 H VAL 49 4.835 -11.266 -2.933 412 HA VAL 49 HA VAL 49 3.430 -13.748 -3.634 413 HB VAL 49 HB VAL 49 2.242 -11.079 -2.873 414 HG11 VAL 49 HG11 VAL 49 0.181 -12.270 -2.586 415 HG12 VAL 49 HG12 VAL 49 0.974 -13.814 -2.900 416 HG13 VAL 49 HG13 VAL 49 0.807 -12.628 -4.195 417 HG21 VAL 49 HG21 VAL 49 1.739 -12.723 -0.771 418 HG22 VAL 49 HG22 VAL 49 3.064 -11.561 -0.837 419 HG23 VAL 49 HG23 VAL 49 3.353 -13.252 -1.245 420 H ILE 50 H ILE 50 4.330 -10.638 -4.868 421 HA ILE 50 HA ILE 50 2.766 -11.121 -7.307 422 HB ILE 50 HB ILE 50 3.883 -8.535 -6.211 423 HG12 ILE 50 HG12 ILE 50 1.080 -8.450 -6.677 424 HG13 ILE 50 HG11 ILE 50 1.420 -9.932 -5.791 425 HG21 ILE 50 HG21 ILE 50 2.285 -7.689 -8.152 426 HG22 ILE 50 HG22 ILE 50 2.762 -9.229 -8.864 427 HG23 ILE 50 HG23 ILE 50 3.989 -8.044 -8.426 428 HD11 ILE 50 HD11 ILE 50 0.974 -7.573 -4.624 429 HD12 ILE 50 HD12 ILE 50 2.727 -7.493 -4.788 430 HD13 ILE 50 HD13 ILE 50 1.982 -8.831 -3.914 431 H ASN 51 H ASN 51 5.367 -12.306 -6.600 432 HA ASN 51 HA ASN 51 7.553 -11.181 -7.839 433 HB2 ASN 51 HB2 ASN 51 7.009 -13.608 -6.673 434 HB3 ASN 51 HB1 ASN 51 7.300 -14.062 -8.350 435 HD21 ASN 51 HD21 ASN 51 8.681 -11.860 -5.931 436 HD22 ASN 51 HD22 ASN 51 10.329 -12.273 -6.248 437 H GLU 52 H GLU 52 4.720 -12.560 -9.294 438 HA GLU 52 HA GLU 52 5.951 -12.577 -11.944 439 HB2 GLU 52 HB2 GLU 52 3.332 -13.597 -10.862 440 HB3 GLU 52 HB1 GLU 52 3.619 -13.458 -12.592 441 HG2 GLU 52 HG2 GLU 52 5.511 -14.963 -10.829 442 HG3 GLU 52 HG1 GLU 52 4.040 -15.713 -11.447 443 HA PRO 53 HA PRO 53 4.237 -8.727 -13.203 444 HB2 PRO 53 HB2 PRO 53 3.640 -9.170 -15.802 445 HB3 PRO 53 HB1 PRO 53 5.297 -9.006 -15.208 446 HG2 PRO 53 HG2 PRO 53 3.735 -11.483 -15.802 447 HG3 PRO 53 HG1 PRO 53 5.415 -11.095 -16.214 448 HD2 PRO 53 HD2 PRO 53 4.767 -12.675 -14.120 449 HD3 PRO 53 HD1 PRO 53 6.182 -11.600 -14.096 450 H SER 54 H SER 54 2.327 -11.606 -13.583 451 HA SER 54 HA SER 54 -0.071 -10.490 -14.500 452 HB2 SER 54 HB2 SER 54 0.549 -12.964 -14.276 453 HB3 SER 54 HB1 SER 54 0.069 -12.816 -12.586 454 HG SER 54 HG SER 54 -1.625 -12.051 -14.719 455 H ARG 55 H ARG 55 1.271 -10.758 -11.258 456 HA ARG 55 HA ARG 55 -1.134 -9.672 -10.047 457 HB2 ARG 55 HB2 ARG 55 1.481 -10.697 -8.992 458 HB3 ARG 55 HB1 ARG 55 0.408 -9.766 -7.957 459 HG2 ARG 55 HG2 ARG 55 -1.092 -11.439 -7.774 460 HG3 ARG 55 HG1 ARG 55 -0.828 -12.003 -9.425 461 HD2 ARG 55 HD2 ARG 55 1.577 -12.521 -8.182 462 HD3 ARG 55 HD1 ARG 55 0.388 -12.884 -6.931 463 HE ARG 55 HE ARG 55 0.893 -14.381 -9.317 464 HH11 ARG 55 HH11 ARG 55 -1.551 -13.547 -6.970 465 HH12 ARG 55 HH12 ARG 55 -2.480 -14.982 -7.243 466 HH21 ARG 55 HH21 ARG 55 -0.330 -16.268 -9.678 467 HH22 ARG 55 HH22 ARG 55 -1.787 -16.528 -8.780 468 H LEU 56 H LEU 56 1.014 -8.211 -11.859 469 HA LEU 56 HA LEU 56 2.328 -6.221 -10.562 470 HB2 LEU 56 HB2 LEU 56 0.989 -6.414 -13.196 471 HB3 LEU 56 HB1 LEU 56 1.440 -4.807 -12.660 472 HG LEU 56 HG LEU 56 3.480 -6.990 -12.590 473 HD11 LEU 56 HD11 LEU 56 2.142 -6.617 -14.892 474 HD12 LEU 56 HD12 LEU 56 3.854 -7.034 -14.812 475 HD13 LEU 56 HD13 LEU 56 3.365 -5.355 -15.039 476 HD21 LEU 56 HD21 LEU 56 3.391 -4.037 -12.540 477 HD22 LEU 56 HD22 LEU 56 4.737 -4.773 -13.408 478 HD23 LEU 56 HD23 LEU 56 4.470 -5.156 -11.708 479 HA PRO 57 HA PRO 57 -1.851 -3.421 -10.901 480 HB2 PRO 57 HB2 PRO 57 -3.761 -5.374 -9.966 481 HB3 PRO 57 HB1 PRO 57 -3.805 -4.405 -11.438 482 HG2 PRO 57 HG2 PRO 57 -2.923 -7.183 -11.054 483 HG3 PRO 57 HG1 PRO 57 -3.433 -6.358 -12.536 484 HD2 PRO 57 HD2 PRO 57 -0.870 -7.056 -12.089 485 HD3 PRO 57 HD1 PRO 57 -1.300 -5.587 -12.987 486 H LEU 58 H LEU 58 -1.103 -6.054 -8.674 487 HA LEU 58 HA LEU 58 -2.289 -5.056 -6.360 488 HB2 LEU 58 HB2 LEU 58 -0.768 -7.236 -6.985 489 HB3 LEU 58 HB1 LEU 58 0.324 -6.327 -5.959 490 HG LEU 58 HG LEU 58 -0.927 -7.952 -4.652 491 HD11 LEU 58 HD11 LEU 58 -0.507 -5.380 -3.978 492 HD12 LEU 58 HD12 LEU 58 -1.201 -6.580 -2.889 493 HD13 LEU 58 HD13 LEU 58 -2.257 -5.478 -3.771 494 HD21 LEU 58 HD21 LEU 58 -3.438 -7.412 -4.358 495 HD22 LEU 58 HD22 LEU 58 -2.919 -8.346 -5.761 496 HD23 LEU 58 HD23 LEU 58 -3.284 -6.629 -5.930 497 H PHE 59 H PHE 59 0.726 -4.158 -7.911 498 HA PHE 59 HA PHE 59 1.735 -2.636 -5.721 499 HB2 PHE 59 HB2 PHE 59 2.404 -2.468 -8.667 500 HB3 PHE 59 HB1 PHE 59 3.328 -1.721 -7.368 501 HD1 PHE 59 HD2 PHE 59 2.969 -4.165 -5.464 502 HD2 PHE 59 HD1 PHE 59 4.249 -3.744 -9.501 503 HE1 PHE 59 HE2 PHE 59 4.314 -6.213 -5.247 504 HE2 PHE 59 HE1 PHE 59 5.595 -5.791 -9.291 505 HZ PHE 59 HZ PHE 59 5.630 -7.027 -7.161 506 H ASP 60 H ASP 60 0.130 -1.732 -8.766 507 HA ASP 60 HA ASP 60 -0.020 1.040 -8.083 508 HB2 ASP 60 HB2 ASP 60 -0.084 -0.131 -10.433 509 HB3 ASP 60 HB1 ASP 60 -1.814 -0.223 -10.122 510 H ALA 61 H ALA 61 -1.919 -1.737 -7.422 511 HA ALA 61 HA ALA 61 -4.425 -0.497 -7.005 512 HB1 ALA 61 HB1 ALA 61 -4.508 -2.798 -7.313 513 HB2 ALA 61 HB2 ALA 61 -4.796 -2.613 -5.584 514 HB3 ALA 61 HB3 ALA 61 -3.204 -3.098 -6.165 515 H ILE 62 H ILE 62 -1.872 -1.501 -4.742 516 HA ILE 62 HA ILE 62 -3.179 -0.388 -2.462 517 HB ILE 62 HB ILE 62 -0.281 -1.185 -2.666 518 HG12 ILE 62 HG12 ILE 62 -2.585 -2.945 -1.818 519 HG13 ILE 62 HG11 ILE 62 -1.918 -2.959 -3.447 520 HG21 ILE 62 HG21 ILE 62 -1.394 0.110 -0.650 521 HG22 ILE 62 HG22 ILE 62 -0.215 -1.174 -0.384 522 HG23 ILE 62 HG23 ILE 62 -1.939 -1.511 -0.222 523 HD11 ILE 62 HD11 ILE 62 -1.116 -4.708 -1.732 524 HD12 ILE 62 HD12 ILE 62 -0.141 -3.388 -1.087 525 HD13 ILE 62 HD13 ILE 62 0.072 -3.907 -2.760 526 H ARG 63 H ARG 63 -0.640 0.742 -4.625 527 HA ARG 63 HA ARG 63 0.568 2.736 -3.259 528 HB2 ARG 63 HB2 ARG 63 -0.118 2.304 -6.077 529 HB3 ARG 63 HB1 ARG 63 0.174 3.987 -5.664 530 HG2 ARG 63 HG2 ARG 63 2.374 3.548 -4.968 531 HG3 ARG 63 HG1 ARG 63 2.093 1.806 -4.913 532 HD2 ARG 63 HD2 ARG 63 2.859 1.656 -6.992 533 HD3 ARG 63 HD1 ARG 63 1.491 2.626 -7.537 534 HE ARG 63 HE ARG 63 3.514 4.316 -6.538 535 HH11 ARG 63 HH11 ARG 63 2.822 2.242 -9.259 536 HH12 ARG 63 HH12 ARG 63 3.824 3.135 -10.355 537 HH21 ARG 63 HH21 ARG 63 4.831 5.492 -7.978 538 HH22 ARG 63 HH22 ARG 63 4.965 4.980 -9.627 539 HA PRO 64 HA PRO 64 -3.153 5.849 -4.626 540 HB2 PRO 64 HB2 PRO 64 -5.151 3.763 -3.838 541 HB3 PRO 64 HB1 PRO 64 -5.318 5.101 -4.981 542 HG2 PRO 64 HG2 PRO 64 -4.865 2.606 -5.829 543 HG3 PRO 64 HG1 PRO 64 -4.150 4.006 -6.645 544 HD2 PRO 64 HD2 PRO 64 -2.863 1.959 -4.951 545 HD3 PRO 64 HD1 PRO 64 -2.153 3.006 -6.191 546 H LEU 65 H LEU 65 -3.896 3.406 -2.100 547 HA LEU 65 HA LEU 65 -4.615 5.444 -0.222 548 HB2 LEU 65 HB2 LEU 65 -4.621 3.514 1.425 549 HB3 LEU 65 HB1 LEU 65 -5.756 3.429 0.093 550 HG LEU 65 HG LEU 65 -3.146 2.080 -0.298 551 HD11 LEU 65 HD11 LEU 65 -3.298 1.058 1.701 552 HD12 LEU 65 HD12 LEU 65 -4.508 0.077 0.873 553 HD13 LEU 65 HD13 LEU 65 -5.012 1.432 1.883 554 HD21 LEU 65 HD21 LEU 65 -4.282 1.180 -1.981 555 HD22 LEU 65 HD22 LEU 65 -5.686 2.142 -1.523 556 HD23 LEU 65 HD23 LEU 65 -5.476 0.521 -0.863 557 H ILE 66 H ILE 66 -1.704 3.775 -1.056 558 HA ILE 66 HA ILE 66 -0.253 4.170 1.329 559 HB ILE 66 HB ILE 66 0.634 3.790 -1.529 560 HG12 ILE 66 HG12 ILE 66 0.694 1.987 0.899 561 HG13 ILE 66 HG11 ILE 66 -0.424 1.861 -0.455 562 HG21 ILE 66 HG21 ILE 66 2.371 5.069 -0.426 563 HG22 ILE 66 HG22 ILE 66 2.904 3.406 -0.667 564 HG23 ILE 66 HG23 ILE 66 2.373 3.939 0.929 565 HD11 ILE 66 HD11 ILE 66 1.003 0.525 -1.481 566 HD12 ILE 66 HD12 ILE 66 2.150 0.707 -0.154 567 HD13 ILE 66 HD13 ILE 66 2.192 1.826 -1.516 568 HA PRO 67 HA PRO 67 0.363 8.587 1.540 569 HB2 PRO 67 HB2 PRO 67 3.117 7.707 2.299 570 HB3 PRO 67 HB1 PRO 67 2.060 8.889 3.077 571 HG2 PRO 67 HG2 PRO 67 2.360 6.454 4.109 572 HG3 PRO 67 HG1 PRO 67 0.781 7.261 4.120 573 HD2 PRO 67 HD2 PRO 67 1.744 5.005 2.441 574 HD3 PRO 67 HD1 PRO 67 0.104 5.375 3.005 575 H LEU 68 H LEU 68 0.925 10.045 0.246 576 HA LEU 68 HA LEU 68 1.817 9.667 -2.300 577 HB2 LEU 68 HB2 LEU 68 1.345 11.834 -0.433 578 HB3 LEU 68 HB1 LEU 68 2.558 12.240 -1.633 579 HG LEU 68 HG LEU 68 -0.266 11.345 -2.156 580 HD11 LEU 68 HD11 LEU 68 0.961 13.962 -2.951 581 HD12 LEU 68 HD12 LEU 68 0.244 13.734 -1.357 582 HD13 LEU 68 HD13 LEU 68 -0.743 13.532 -2.804 583 HD21 LEU 68 HD21 LEU 68 0.666 10.513 -4.040 584 HD22 LEU 68 HD22 LEU 68 2.104 11.527 -3.908 585 HD23 LEU 68 HD23 LEU 68 0.606 12.201 -4.548 586 H LYS 69 H LYS 69 3.716 10.398 0.593 587 HA LYS 69 HA LYS 69 6.183 10.754 -0.816 588 HB2 LYS 69 HB2 LYS 69 5.894 10.012 2.095 589 HB3 LYS 69 HB1 LYS 69 7.212 10.885 1.328 590 HG2 LYS 69 HG2 LYS 69 5.751 12.789 0.939 591 HG3 LYS 69 HG1 LYS 69 4.402 11.912 1.665 592 HD2 LYS 69 HD2 LYS 69 6.814 12.055 3.332 593 HD3 LYS 69 HD1 LYS 69 6.048 13.611 3.007 594 HE2 LYS 69 HE2 LYS 69 4.111 13.040 4.104 595 HE3 LYS 69 HE1 LYS 69 4.345 11.312 3.837 596 HZ1 LYS 69 HZ1 LYS 69 4.736 11.672 6.107 597 HZ2 LYS 69 HZ2 LYS 69 5.679 13.047 5.830 598 HZ3 LYS 69 HZ3 LYS 69 6.277 11.517 5.427 599 H HIS 70 H HIS 70 4.682 8.136 1.026 600 HA HIS 70 HA HIS 70 6.788 6.279 0.749 601 HB2 HIS 70 HB2 HIS 70 3.835 5.732 1.121 602 HB3 HIS 70 HB1 HIS 70 5.146 4.599 1.429 603 HD1 HIS 70 HD1 HIS 70 4.119 4.512 3.896 604 HD2 HIS 70 HD2 HIS 70 5.863 8.115 2.783 605 HE1 HIS 70 HE1 HIS 70 4.492 5.770 6.041 606 HE2 HIS 70 HE2 HIS 70 5.618 7.914 5.348 607 H GLN 71 H GLN 71 4.273 7.336 -1.382 608 HA GLN 71 HA GLN 71 4.131 5.115 -3.103 609 HB2 GLN 71 HB2 GLN 71 3.236 7.883 -3.104 610 HB3 GLN 71 HB1 GLN 71 3.741 7.366 -4.708 611 HG2 GLN 71 HG2 GLN 71 2.195 5.512 -4.638 612 HG3 GLN 71 HG1 GLN 71 1.744 5.919 -2.982 613 HE21 GLN 71 HE21 GLN 71 -0.174 6.818 -2.897 614 HE22 GLN 71 HE22 GLN 71 -0.834 7.936 -4.038 615 H VAL 72 H VAL 72 6.089 8.081 -3.266 616 HA VAL 72 HA VAL 72 7.507 7.412 -5.602 617 HB VAL 72 HB VAL 72 8.706 9.015 -3.363 618 HG11 VAL 72 HG11 VAL 72 10.295 9.055 -4.963 619 HG12 VAL 72 HG12 VAL 72 9.281 10.330 -5.639 620 HG13 VAL 72 HG13 VAL 72 9.155 8.681 -6.256 621 HG21 VAL 72 HG21 VAL 72 7.515 10.925 -4.839 622 HG22 VAL 72 HG22 VAL 72 6.793 10.225 -3.389 623 HG23 VAL 72 HG23 VAL 72 6.319 9.637 -4.983 624 H GLU 73 H GLU 73 8.443 7.126 -2.167 625 HA GLU 73 HA GLU 73 10.874 5.802 -2.596 626 HB2 GLU 73 HB2 GLU 73 10.256 6.753 -0.420 627 HB3 GLU 73 HB1 GLU 73 8.969 5.567 -0.253 628 HG2 GLU 73 HG2 GLU 73 10.420 3.849 0.198 629 HG3 GLU 73 HG1 GLU 73 11.768 4.626 -0.634 630 H TYR 74 H TYR 74 7.579 4.630 -2.416 631 HA TYR 74 HA TYR 74 8.116 1.872 -2.302 632 HB2 TYR 74 HB2 TYR 74 5.869 2.759 -1.918 633 HB3 TYR 74 HB1 TYR 74 5.795 3.347 -3.575 634 HD1 TYR 74 HD2 TYR 74 5.447 1.799 -5.428 635 HD2 TYR 74 HD1 TYR 74 5.578 0.411 -1.409 636 HE1 TYR 74 HE2 TYR 74 4.460 -0.338 -6.139 637 HE2 TYR 74 HE1 TYR 74 4.591 -1.729 -2.109 638 HH TYR 74 HH TYR 74 3.017 -2.427 -4.220 639 H ASP 75 H ASP 75 8.073 4.227 -4.882 640 HA ASP 75 HA ASP 75 8.272 2.339 -7.024 641 HB2 ASP 75 HB2 ASP 75 7.559 4.898 -6.999 642 HB3 ASP 75 HB1 ASP 75 9.275 5.138 -7.312 643 H GLN 76 H GLN 76 10.536 4.123 -5.007 644 HA GLN 76 HA GLN 76 12.862 3.604 -6.528 645 HB2 GLN 76 HB2 GLN 76 12.666 4.048 -3.544 646 HB3 GLN 76 HB1 GLN 76 14.095 4.266 -4.545 647 HG2 GLN 76 HG2 GLN 76 13.133 6.143 -5.644 648 HG3 GLN 76 HG1 GLN 76 11.563 5.845 -4.902 649 HE21 GLN 76 HE21 GLN 76 11.367 7.771 -3.866 650 HE22 GLN 76 HE22 GLN 76 12.393 8.275 -2.571 651 H LEU 77 H LEU 77 11.165 1.793 -4.052 652 HA LEU 77 HA LEU 77 13.232 -0.164 -3.718 653 HB2 LEU 77 HB2 LEU 77 10.400 0.110 -2.795 654 HB3 LEU 77 HB1 LEU 77 11.213 -1.437 -2.645 655 HG LEU 77 HG LEU 77 12.276 1.128 -1.466 656 HD11 LEU 77 HD11 LEU 77 10.400 0.859 -0.183 657 HD12 LEU 77 HD12 LEU 77 11.533 -0.173 0.691 658 HD13 LEU 77 HD13 LEU 77 10.359 -0.889 -0.412 659 HD21 LEU 77 HD21 LEU 77 13.011 -1.526 -0.410 660 HD22 LEU 77 HD22 LEU 77 13.992 -0.075 -0.631 661 HD23 LEU 77 HD23 LEU 77 13.643 -1.122 -2.007 662 H THR 78 H THR 78 10.228 0.048 -5.545 663 HA THR 78 HA THR 78 10.240 -2.626 -6.482 664 HB THR 78 HB THR 78 8.711 -1.625 -8.298 665 HG1 THR 78 HG1 THR 78 7.941 0.470 -7.740 666 HG21 THR 78 HG21 THR 78 6.842 -1.554 -6.908 667 HG22 THR 78 HG22 THR 78 7.781 -0.993 -5.524 668 HG23 THR 78 HG23 THR 78 7.959 -2.651 -6.097 669 HA PRO 79 HA PRO 79 13.374 -2.325 -9.603 670 HB2 PRO 79 HB2 PRO 79 12.786 -4.520 -11.051 671 HB3 PRO 79 HB1 PRO 79 13.481 -4.623 -9.430 672 HG2 PRO 79 HG2 PRO 79 10.632 -4.938 -10.293 673 HG3 PRO 79 HG1 PRO 79 11.562 -5.903 -9.133 674 HD2 PRO 79 HD2 PRO 79 9.814 -3.949 -8.390 675 HD3 PRO 79 HD1 PRO 79 11.239 -4.396 -7.432 676 H ARG 80 H ARG 80 13.663 -2.017 -11.896 677 HA ARG 80 HA ARG 80 11.297 -0.824 -13.143 678 HB2 ARG 80 HB2 ARG 80 14.246 -0.556 -13.740 679 HB3 ARG 80 HB1 ARG 80 12.983 0.170 -14.727 680 HG2 ARG 80 HG2 ARG 80 13.017 0.736 -11.806 681 HG3 ARG 80 HG1 ARG 80 14.196 1.537 -12.847 682 HD2 ARG 80 HD2 ARG 80 11.709 1.728 -14.155 683 HD3 ARG 80 HD1 ARG 80 11.415 2.124 -12.462 684 HE ARG 80 HE ARG 80 12.667 4.039 -12.711 685 HH11 ARG 80 HH11 ARG 80 13.062 2.017 -15.531 686 HH12 ARG 80 HH12 ARG 80 13.860 3.247 -16.452 687 HH21 ARG 80 HH21 ARG 80 13.719 5.653 -13.923 688 HH22 ARG 80 HH22 ARG 80 14.235 5.309 -15.540 689 H1 ASP 100 H ASP 100 -3.639 13.466 2.072 690 HA ASP 100 HA ASP 100 -3.864 11.347 1.269 691 HB2 ASP 100 HB2 ASP 100 -2.174 12.353 -0.509 692 HB3 ASP 100 HB1 ASP 100 -1.053 11.239 0.267 693 H ASP 101 H ASP 101 -3.279 11.651 3.890 694 HA ASP 101 HA ASP 101 -1.030 10.237 4.827 695 HB2 ASP 101 HB2 ASP 101 -3.679 10.458 6.262 696 HB3 ASP 101 HB1 ASP 101 -2.076 10.286 6.975 697 H ASP 102 H ASP 102 -2.078 8.346 6.610 698 HA ASP 102 HA ASP 102 -2.672 6.176 4.745 699 HB2 ASP 102 HB2 ASP 102 -2.052 4.689 6.623 700 HB3 ASP 102 HB1 ASP 102 -0.772 5.831 6.224 701 H ARG 103 H ARG 103 -4.739 8.063 5.486 702 HA ARG 103 HA ARG 103 -6.457 6.965 7.452 703 HB2 ARG 103 HB2 ARG 103 -6.546 9.317 6.587 704 HB3 ARG 103 HB1 ARG 103 -7.233 8.690 5.094 705 HG2 ARG 103 HG2 ARG 103 -9.015 7.637 6.656 706 HG3 ARG 103 HG1 ARG 103 -8.444 8.836 7.818 707 HD2 ARG 103 HD2 ARG 103 -9.950 10.187 6.847 708 HD3 ARG 103 HD1 ARG 103 -8.737 10.349 5.577 709 HE ARG 103 HE ARG 103 -10.507 8.116 5.201 710 HH11 ARG 103 HH11 ARG 103 -10.067 11.537 4.663 711 HH12 ARG 103 HH12 ARG 103 -11.152 11.590 3.314 712 HH21 ARG 103 HH21 ARG 103 -11.933 8.186 3.427 713 HH22 ARG 103 HH22 ARG 103 -12.211 9.688 2.612 714 H TYR 104 H TYR 104 -6.154 6.509 3.973 715 HA TYR 104 HA TYR 104 -8.521 4.981 3.645 716 HB2 TYR 104 HB2 TYR 104 -6.108 5.574 2.014 717 HB3 TYR 104 HB1 TYR 104 -7.033 4.141 1.576 718 HD1 TYR 104 HD1 TYR 104 -9.532 4.438 1.117 719 HD2 TYR 104 HD2 TYR 104 -6.809 7.700 1.330 720 HE1 TYR 104 HE1 TYR 104 -11.129 5.843 -0.115 721 HE2 TYR 104 HE2 TYR 104 -8.400 9.115 0.101 722 HH TYR 104 HH TYR 104 -11.645 8.167 -0.471 723 H LEU 105 H LEU 105 -5.248 4.203 4.581 724 HA LEU 105 HA LEU 105 -5.241 1.450 4.137 725 HB2 LEU 105 HB2 LEU 105 -3.770 3.320 5.901 726 HB3 LEU 105 HB1 LEU 105 -3.724 1.626 6.355 727 HG LEU 105 HG LEU 105 -2.909 2.678 3.646 728 HD11 LEU 105 HD11 LEU 105 -1.412 2.314 6.181 729 HD12 LEU 105 HD12 LEU 105 -1.196 3.502 4.895 730 HD13 LEU 105 HD13 LEU 105 -0.615 1.850 4.678 731 HD21 LEU 105 HD21 LEU 105 -1.875 0.437 3.433 732 HD22 LEU 105 HD22 LEU 105 -3.634 0.383 3.551 733 HD23 LEU 105 HD23 LEU 105 -2.643 -0.027 4.952 734 H ARG 106 H ARG 106 -6.123 3.227 7.101 735 HA ARG 106 HA ARG 106 -6.894 0.968 8.580 736 HB2 ARG 106 HB2 ARG 106 -8.047 2.551 10.059 737 HB3 ARG 106 HB1 ARG 106 -6.434 3.113 9.644 738 HG2 ARG 106 HG2 ARG 106 -7.200 4.918 8.536 739 HG3 ARG 106 HG1 ARG 106 -8.610 4.068 7.903 740 HD2 ARG 106 HD2 ARG 106 -9.376 4.112 10.409 741 HD3 ARG 106 HD1 ARG 106 -8.243 5.460 10.515 742 HE ARG 106 HE ARG 106 -9.732 6.103 8.362 743 HH11 ARG 106 HH11 ARG 106 -10.573 5.146 11.612 744 HH12 ARG 106 HH12 ARG 106 -12.047 6.055 11.631 745 HH21 ARG 106 HH21 ARG 106 -11.669 7.300 8.388 746 HH22 ARG 106 HH22 ARG 106 -12.670 7.277 9.801 747 H GLU 107 H GLU 107 -8.604 2.936 6.247 748 HA GLU 107 HA GLU 107 -11.230 2.178 6.816 749 HB2 GLU 107 HB2 GLU 107 -9.794 3.284 4.484 750 HB3 GLU 107 HB1 GLU 107 -11.297 2.450 4.113 751 HG2 GLU 107 HG2 GLU 107 -12.457 3.896 5.744 752 HG3 GLU 107 HG1 GLU 107 -10.948 4.772 5.996 753 H ALA 108 H ALA 108 -9.053 0.790 4.349 754 HA ALA 108 HA ALA 108 -10.769 -1.429 3.836 755 HB1 ALA 108 HB1 ALA 108 -8.835 -0.311 2.404 756 HB2 ALA 108 HB2 ALA 108 -9.303 -1.999 2.191 757 HB3 ALA 108 HB3 ALA 108 -7.885 -1.591 3.158 758 H ILE 109 H ILE 109 -7.862 -0.947 5.781 759 HA ILE 109 HA ILE 109 -7.346 -3.591 6.488 760 HB ILE 109 HB ILE 109 -6.840 -1.004 7.948 761 HG12 ILE 109 HG12 ILE 109 -4.892 -2.933 6.686 762 HG13 ILE 109 HG11 ILE 109 -5.624 -1.599 5.801 763 HG21 ILE 109 HG21 ILE 109 -5.983 -3.774 8.769 764 HG22 ILE 109 HG22 ILE 109 -7.023 -2.671 9.671 765 HG23 ILE 109 HG23 ILE 109 -5.320 -2.279 9.431 766 HD11 ILE 109 HD11 ILE 109 -4.044 -1.221 8.326 767 HD12 ILE 109 HD12 ILE 109 -4.550 0.006 7.164 768 HD13 ILE 109 HD13 ILE 109 -3.327 -1.183 6.715 769 H GLN 110 H GLN 110 -9.219 -1.163 8.329 770 HA GLN 110 HA GLN 110 -10.084 -2.967 10.309 771 HB2 GLN 110 HB2 GLN 110 -10.245 -0.262 9.975 772 HB3 GLN 110 HB1 GLN 110 -11.914 -0.742 9.706 773 HG2 GLN 110 HG2 GLN 110 -12.113 -0.608 11.918 774 HG3 GLN 110 HG1 GLN 110 -11.277 -2.159 11.944 775 HE21 GLN 110 HE21 GLN 110 -10.934 -1.010 14.167 776 HE22 GLN 110 HE22 GLN 110 -9.433 -0.168 14.313 777 H GLU 111 H GLU 111 -11.460 -2.032 7.204 778 HA GLU 111 HA GLU 111 -13.994 -3.122 7.439 779 HB2 GLU 111 HB2 GLU 111 -12.626 -1.960 5.407 780 HB3 GLU 111 HB1 GLU 111 -12.631 -3.631 4.864 781 HG2 GLU 111 HG2 GLU 111 -15.026 -1.929 5.507 782 HG3 GLU 111 HG1 GLU 111 -14.506 -2.480 3.915 783 H TYR 112 H TYR 112 -10.955 -4.692 6.587 784 HA TYR 112 HA TYR 112 -12.098 -7.277 6.232 785 HB2 TYR 112 HB2 TYR 112 -9.923 -6.626 5.231 786 HB3 TYR 112 HB1 TYR 112 -9.228 -6.523 6.844 787 HD1 TYR 112 HD1 TYR 112 -11.154 -8.984 4.785 788 HD2 TYR 112 HD2 TYR 112 -7.984 -8.329 7.544 789 HE1 TYR 112 HE1 TYR 112 -10.578 -11.371 4.679 790 HE2 TYR 112 HE2 TYR 112 -7.396 -10.715 7.445 791 HH TYR 112 HH TYR 112 -7.699 -12.617 5.772 792 H ASP 113 H ASP 113 -10.757 -5.479 8.928 793 HA ASP 113 HA ASP 113 -10.483 -7.593 10.756 794 HB2 ASP 113 HB2 ASP 113 -9.619 -5.266 11.092 795 HB3 ASP 113 HB1 ASP 113 -11.274 -4.737 11.381 796 H ASN 114 H ASN 114 -13.242 -5.778 9.635 797 HA ASN 114 HA ASN 114 -15.026 -6.818 11.653 798 HB2 ASN 114 HB2 ASN 114 -15.283 -4.553 10.569 799 HB3 ASN 114 HB1 ASN 114 -15.759 -5.388 9.093 800 HD21 ASN 114 HD21 ASN 114 -17.086 -3.620 11.256 801 HD22 ASN 114 HD22 ASN 114 -18.583 -4.432 11.550 802 H ILE 115 H ILE 115 -14.143 -7.540 8.332 803 HA ILE 115 HA ILE 115 -16.287 -9.351 7.844 804 HB ILE 115 HB ILE 115 -13.612 -9.195 6.456 805 HG12 ILE 115 HG12 ILE 115 -16.097 -8.050 5.282 806 HG13 ILE 115 HG11 ILE 115 -15.325 -7.148 6.581 807 HG21 ILE 115 HG21 ILE 115 -16.223 -10.467 5.664 808 HG22 ILE 115 HG22 ILE 115 -14.684 -11.274 5.966 809 HG23 ILE 115 HG23 ILE 115 -14.867 -10.220 4.564 810 HD11 ILE 115 HD11 ILE 115 -13.914 -6.292 5.115 811 HD12 ILE 115 HD12 ILE 115 -14.641 -7.255 3.829 812 HD13 ILE 115 HD13 ILE 115 -13.299 -7.908 4.769 813 H ALA 116 H ALA 116 -12.836 -9.869 8.486 814 HA ALA 116 HA ALA 116 -13.437 -12.639 9.226 815 HB1 ALA 116 HB1 ALA 116 -10.755 -12.591 9.199 816 HB2 ALA 116 HB2 ALA 116 -11.088 -11.290 8.056 817 HB3 ALA 116 HB3 ALA 116 -11.733 -12.905 7.765 818 H LYS 117 H LYS 117 -14.357 -11.441 11.220 819 HA LYS 117 HA LYS 117 -12.577 -10.362 13.136 820 HB2 LYS 117 HB2 LYS 117 -15.345 -11.539 13.384 821 HB3 LYS 117 HB1 LYS 117 -14.482 -10.830 14.742 822 HG2 LYS 117 HG2 LYS 117 -14.322 -8.710 13.437 823 HG3 LYS 117 HG1 LYS 117 -15.372 -9.446 12.224 824 HD2 LYS 117 HD2 LYS 117 -16.821 -9.923 14.440 825 HD3 LYS 117 HD1 LYS 117 -16.005 -8.437 14.927 826 HE2 LYS 117 HE2 LYS 117 -16.755 -7.515 12.655 827 HE3 LYS 117 HE1 LYS 117 -17.851 -8.894 12.605 828 HZ1 LYS 117 HZ1 LYS 117 -18.401 -7.969 15.017 829 HZ2 LYS 117 HZ2 LYS 117 -19.202 -7.424 13.631 830 HZ3 LYS 117 HZ3 LYS 117 -17.934 -6.516 14.284 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -16.051 9.919 2.470 2 H2 MET 1 HT2 MET 1 -15.950 8.992 3.912 3 H3 MET 1 HT3 MET 1 -17.236 10.109 3.693 4 HA MET 1 HA MET 1 -17.775 7.725 3.372 5 HB2 MET 1 HB2 MET 1 -18.435 10.101 1.852 6 HB3 MET 1 HB1 MET 1 -18.643 8.657 0.869 7 HG2 MET 1 HG2 MET 1 -20.439 7.981 2.016 8 HG3 MET 1 HG1 MET 1 -19.747 8.443 3.569 9 HE1 MET 1 HE1 MET 1 -21.129 10.243 0.217 10 HE2 MET 1 HE2 MET 1 -22.629 10.795 0.963 11 HE3 MET 1 HE3 MET 1 -22.244 9.074 0.925 12 H ASP 2 H ASP 2 -16.303 6.131 2.979 13 HA ASP 2 HA ASP 2 -15.620 5.667 0.193 14 HB2 ASP 2 HB2 ASP 2 -13.521 5.830 2.365 15 HB3 ASP 2 HB1 ASP 2 -13.238 5.193 0.748 16 H ARG 3 H ARG 3 -17.380 4.114 0.889 17 HA ARG 3 HA ARG 3 -16.439 1.865 2.477 18 HB2 ARG 3 HB2 ARG 3 -18.708 1.027 2.319 19 HB3 ARG 3 HB1 ARG 3 -18.734 2.720 2.799 20 HG2 ARG 3 HG2 ARG 3 -18.875 2.753 0.015 21 HG3 ARG 3 HG1 ARG 3 -19.934 1.436 0.519 22 HD2 ARG 3 HD2 ARG 3 -21.383 2.830 1.588 23 HD3 ARG 3 HD1 ARG 3 -20.124 3.985 2.019 24 HE ARG 3 HE ARG 3 -20.635 3.929 -0.790 25 HH11 ARG 3 HH11 ARG 3 -21.773 5.208 2.250 26 HH12 ARG 3 HH12 ARG 3 -22.538 6.584 1.527 27 HH21 ARG 3 HH21 ARG 3 -21.639 5.738 -1.743 28 HH22 ARG 3 HH22 ARG 3 -22.463 6.884 -0.739 29 H LYS 4 H LYS 4 -17.072 2.726 -0.841 30 HA LYS 4 HA LYS 4 -17.028 0.073 -1.880 31 HB2 LYS 4 HB2 LYS 4 -17.665 2.576 -2.880 32 HB3 LYS 4 HB1 LYS 4 -16.193 2.160 -3.747 33 HG2 LYS 4 HG2 LYS 4 -17.194 0.539 -4.940 34 HG3 LYS 4 HG1 LYS 4 -18.212 0.026 -3.591 35 HD2 LYS 4 HD2 LYS 4 -19.875 1.503 -4.106 36 HD3 LYS 4 HD1 LYS 4 -18.762 2.679 -4.809 37 HE2 LYS 4 HE2 LYS 4 -18.525 1.333 -6.796 38 HE3 LYS 4 HE1 LYS 4 -19.498 0.048 -6.083 39 HZ1 LYS 4 HZ1 LYS 4 -20.802 1.360 -7.618 40 HZ2 LYS 4 HZ2 LYS 4 -20.450 2.777 -6.765 41 HZ3 LYS 4 HZ3 LYS 4 -21.389 1.569 -6.045 42 H VAL 5 H VAL 5 -14.581 2.482 -1.198 43 HA VAL 5 HA VAL 5 -12.464 1.561 -2.723 44 HB VAL 5 HB VAL 5 -12.225 2.526 0.130 45 HG11 VAL 5 HG11 VAL 5 -10.326 2.046 -2.076 46 HG12 VAL 5 HG12 VAL 5 -10.081 1.984 -0.330 47 HG13 VAL 5 HG13 VAL 5 -10.099 3.537 -1.163 48 HG21 VAL 5 HG21 VAL 5 -11.879 4.776 -1.003 49 HG22 VAL 5 HG22 VAL 5 -13.531 4.164 -0.942 50 HG23 VAL 5 HG23 VAL 5 -12.600 4.044 -2.435 51 H ALA 6 H ALA 6 -13.839 0.269 0.221 52 HA ALA 6 HA ALA 6 -11.759 -1.617 0.731 53 HB1 ALA 6 HB1 ALA 6 -13.342 -0.746 2.457 54 HB2 ALA 6 HB2 ALA 6 -13.195 -2.504 2.423 55 HB3 ALA 6 HB3 ALA 6 -14.606 -1.723 1.710 56 H ARG 7 H ARG 7 -14.895 -1.718 -0.891 57 HA ARG 7 HA ARG 7 -14.892 -4.511 -1.384 58 HB2 ARG 7 HB2 ARG 7 -16.616 -2.298 -1.889 59 HB3 ARG 7 HB1 ARG 7 -16.390 -3.168 -3.400 60 HG2 ARG 7 HG2 ARG 7 -18.315 -4.041 -2.288 61 HG3 ARG 7 HG1 ARG 7 -17.038 -5.258 -2.239 62 HD2 ARG 7 HD2 ARG 7 -17.061 -5.285 -0.014 63 HD3 ARG 7 HD1 ARG 7 -16.885 -3.533 0.063 64 HE ARG 7 HE ARG 7 -19.553 -4.401 -0.563 65 HH11 ARG 7 HH11 ARG 7 -17.298 -3.716 2.011 66 HH12 ARG 7 HH12 ARG 7 -18.536 -3.408 3.181 67 HH21 ARG 7 HH21 ARG 7 -21.182 -3.994 0.975 68 HH22 ARG 7 HH22 ARG 7 -20.740 -3.566 2.594 69 H GLU 8 H GLU 8 -13.829 -1.739 -3.291 70 HA GLU 8 HA GLU 8 -13.188 -3.282 -5.598 71 HB2 GLU 8 HB2 GLU 8 -12.013 -1.236 -6.363 72 HB3 GLU 8 HB1 GLU 8 -13.661 -0.922 -5.839 73 HG2 GLU 8 HG2 GLU 8 -12.706 0.781 -4.742 74 HG3 GLU 8 HG1 GLU 8 -12.346 -0.460 -3.542 75 H PHE 9 H PHE 9 -11.316 -2.025 -2.869 76 HA PHE 9 HA PHE 9 -8.786 -2.861 -3.808 77 HB2 PHE 9 HB2 PHE 9 -9.060 -1.218 -1.993 78 HB3 PHE 9 HB1 PHE 9 -9.731 -2.472 -0.957 79 HD1 PHE 9 HD1 PHE 9 -6.704 -2.027 -3.101 80 HD2 PHE 9 HD2 PHE 9 -8.308 -3.282 0.635 81 HE1 PHE 9 HE1 PHE 9 -4.439 -2.591 -2.323 82 HE2 PHE 9 HE2 PHE 9 -6.046 -3.847 1.420 83 HZ PHE 9 HZ PHE 9 -4.107 -3.503 -0.059 84 H ARG 10 H ARG 10 -11.199 -4.389 -1.721 85 HA ARG 10 HA ARG 10 -9.664 -6.750 -1.262 86 HB2 ARG 10 HB2 ARG 10 -11.515 -5.883 0.219 87 HB3 ARG 10 HB1 ARG 10 -12.657 -6.436 -1.000 88 HG2 ARG 10 HG2 ARG 10 -10.678 -8.397 0.012 89 HG3 ARG 10 HG1 ARG 10 -11.987 -7.913 1.092 90 HD2 ARG 10 HD2 ARG 10 -12.330 -8.992 -1.703 91 HD3 ARG 10 HD1 ARG 10 -12.553 -9.916 -0.217 92 HE ARG 10 HE ARG 10 -14.223 -7.772 0.050 93 HH11 ARG 10 HH11 ARG 10 -13.818 -10.293 -2.330 94 HH12 ARG 10 HH12 ARG 10 -15.488 -10.301 -2.787 95 HH21 ARG 10 HH21 ARG 10 -16.420 -7.784 -0.550 96 HH22 ARG 10 HH22 ARG 10 -16.965 -8.877 -1.777 97 H HIS 11 H HIS 11 -12.377 -5.936 -3.413 98 HA HIS 11 HA HIS 11 -12.624 -8.498 -4.568 99 HB2 HIS 11 HB2 HIS 11 -14.339 -6.685 -4.719 100 HB3 HIS 11 HB1 HIS 11 -13.291 -5.845 -5.858 101 HD1 HIS 11 HD1 HIS 11 -15.650 -6.238 -7.286 102 HD2 HIS 11 HD2 HIS 11 -13.135 -9.496 -6.709 103 HE1 HIS 11 HE1 HIS 11 -16.309 -7.915 -9.041 104 HE2 HIS 11 HE2 HIS 11 -14.830 -9.911 -8.619 105 H LYS 12 H LYS 12 -10.686 -5.678 -5.428 106 HA LYS 12 HA LYS 12 -9.739 -6.583 -7.907 107 HB2 LYS 12 HB2 LYS 12 -8.743 -4.633 -5.866 108 HB3 LYS 12 HB1 LYS 12 -7.686 -5.092 -7.194 109 HG2 LYS 12 HG2 LYS 12 -10.470 -4.160 -7.743 110 HG3 LYS 12 HG1 LYS 12 -9.182 -2.998 -7.421 111 HD2 LYS 12 HD2 LYS 12 -8.574 -5.121 -9.385 112 HD3 LYS 12 HD1 LYS 12 -9.766 -3.916 -9.878 113 HE2 LYS 12 HE2 LYS 12 -8.094 -2.544 -10.386 114 HE3 LYS 12 HE1 LYS 12 -7.671 -2.488 -8.675 115 HZ1 LYS 12 HZ1 LYS 12 -6.014 -3.332 -10.575 116 HZ2 LYS 12 HZ2 LYS 12 -6.717 -4.807 -10.140 117 HZ3 LYS 12 HZ3 LYS 12 -5.936 -3.867 -8.973 118 H VAL 13 H VAL 13 -8.204 -6.767 -4.693 119 HA VAL 13 HA VAL 13 -5.953 -8.220 -5.395 120 HB VAL 13 HB VAL 13 -7.504 -8.517 -2.818 121 HG11 VAL 13 HG11 VAL 13 -5.845 -10.219 -2.974 122 HG12 VAL 13 HG12 VAL 13 -5.222 -8.979 -1.886 123 HG13 VAL 13 HG13 VAL 13 -4.633 -9.071 -3.546 124 HG21 VAL 13 HG21 VAL 13 -5.189 -6.733 -2.839 125 HG22 VAL 13 HG22 VAL 13 -6.785 -6.513 -2.123 126 HG23 VAL 13 HG23 VAL 13 -6.530 -6.171 -3.834 127 H ASP 14 H ASP 14 -9.212 -9.338 -4.674 128 HA ASP 14 HA ASP 14 -8.556 -12.116 -4.775 129 HB2 ASP 14 HB2 ASP 14 -10.528 -11.218 -3.552 130 HB3 ASP 14 HB1 ASP 14 -11.262 -10.799 -5.098 131 H PHE 15 H PHE 15 -9.375 -9.693 -7.122 132 HA PHE 15 HA PHE 15 -10.234 -11.442 -9.191 133 HB2 PHE 15 HB2 PHE 15 -10.339 -8.768 -8.867 134 HB3 PHE 15 HB1 PHE 15 -8.935 -8.878 -9.925 135 HD1 PHE 15 HD1 PHE 15 -9.216 -10.242 -12.089 136 HD2 PHE 15 HD2 PHE 15 -12.474 -8.805 -9.757 137 HE1 PHE 15 HE1 PHE 15 -10.702 -10.454 -14.038 138 HE2 PHE 15 HE2 PHE 15 -13.965 -9.016 -11.702 139 HZ PHE 15 HZ PHE 15 -13.080 -9.841 -13.847 140 H LEU 16 H LEU 16 -7.146 -10.250 -8.106 141 HA LEU 16 HA LEU 16 -5.746 -11.329 -10.407 142 HB2 LEU 16 HB2 LEU 16 -4.306 -10.344 -7.998 143 HB3 LEU 16 HB1 LEU 16 -3.892 -10.174 -9.693 144 HG LEU 16 HG LEU 16 -6.257 -8.704 -8.578 145 HD11 LEU 16 HD11 LEU 16 -4.999 -6.977 -7.728 146 HD12 LEU 16 HD12 LEU 16 -3.563 -7.424 -8.648 147 HD13 LEU 16 HD13 LEU 16 -4.040 -8.374 -7.241 148 HD21 LEU 16 HD21 LEU 16 -6.273 -8.351 -10.821 149 HD22 LEU 16 HD22 LEU 16 -4.537 -8.612 -10.989 150 HD23 LEU 16 HD23 LEU 16 -5.143 -7.076 -10.367 151 H ILE 17 H ILE 17 -5.779 -11.871 -6.903 152 HA ILE 17 HA ILE 17 -4.245 -14.310 -7.178 153 HB ILE 17 HB ILE 17 -5.483 -13.077 -4.722 154 HG12 ILE 17 HG12 ILE 17 -2.833 -12.800 -4.389 155 HG13 ILE 17 HG11 ILE 17 -2.919 -12.688 -6.142 156 HG21 ILE 17 HG21 ILE 17 -3.232 -14.770 -4.207 157 HG22 ILE 17 HG22 ILE 17 -4.441 -15.659 -5.132 158 HG23 ILE 17 HG23 ILE 17 -4.885 -14.899 -3.604 159 HD11 ILE 17 HD11 ILE 17 -4.238 -10.763 -6.065 160 HD12 ILE 17 HD12 ILE 17 -3.024 -10.525 -4.808 161 HD13 ILE 17 HD13 ILE 17 -4.661 -11.016 -4.373 162 H GLU 18 H GLU 18 -7.353 -13.500 -5.691 163 HA GLU 18 HA GLU 18 -9.260 -14.642 -5.476 164 HB2 GLU 18 HB2 GLU 18 -9.223 -14.898 -7.898 165 HB3 GLU 18 HB1 GLU 18 -8.170 -16.301 -7.744 166 HG2 GLU 18 HG2 GLU 18 -9.844 -17.603 -6.806 167 HG3 GLU 18 HG1 GLU 18 -10.854 -16.202 -6.454 168 H ASN 19 H ASN 19 -6.414 -15.656 -4.640 169 HA ASN 19 HA ASN 19 -7.171 -18.317 -3.702 170 HB2 ASN 19 HB2 ASN 19 -4.835 -17.542 -4.720 171 HB3 ASN 19 HB1 ASN 19 -4.519 -17.135 -3.036 172 HD21 ASN 19 HD21 ASN 19 -3.317 -18.665 -2.184 173 HD22 ASN 19 HD22 ASN 19 -3.559 -20.367 -2.361 174 H ASP 20 H ASP 20 -6.484 -18.862 -1.404 175 HA ASP 20 HA ASP 20 -7.531 -16.774 0.352 176 HB2 ASP 20 HB2 ASP 20 -7.606 -19.710 0.331 177 HB3 ASP 20 HB1 ASP 20 -7.290 -19.015 1.918 178 H ALA 21 H ALA 21 -4.986 -19.274 0.507 179 HA ALA 21 HA ALA 21 -3.625 -18.298 2.705 180 HB1 ALA 21 HB1 ALA 21 -3.279 -20.464 1.317 181 HB2 ALA 21 HB2 ALA 21 -1.906 -19.744 2.158 182 HB3 ALA 21 HB3 ALA 21 -2.109 -19.493 0.424 183 H GLU 22 H GLU 22 -3.323 -17.360 -0.677 184 HA GLU 22 HA GLU 22 -1.087 -15.648 -0.304 185 HB2 GLU 22 HB2 GLU 22 -3.180 -15.771 -2.476 186 HB3 GLU 22 HB1 GLU 22 -1.783 -14.707 -2.532 187 HG2 GLU 22 HG2 GLU 22 -1.213 -17.553 -2.040 188 HG3 GLU 22 HG1 GLU 22 -1.853 -17.155 -3.633 189 H LYS 23 H LYS 23 -4.587 -15.065 -0.509 190 HA LYS 23 HA LYS 23 -4.424 -12.258 -0.162 191 HB2 LYS 23 HB2 LYS 23 -6.426 -13.930 -0.847 192 HB3 LYS 23 HB1 LYS 23 -6.825 -13.681 0.847 193 HG2 LYS 23 HG2 LYS 23 -6.564 -11.164 0.277 194 HG3 LYS 23 HG1 LYS 23 -6.763 -11.707 -1.390 195 HD2 LYS 23 HD2 LYS 23 -8.693 -12.627 0.694 196 HD3 LYS 23 HD1 LYS 23 -8.843 -10.996 0.033 197 HE2 LYS 23 HE2 LYS 23 -8.789 -12.071 -2.259 198 HE3 LYS 23 HE1 LYS 23 -8.986 -13.617 -1.436 199 HZ1 LYS 23 HZ1 LYS 23 -11.066 -12.891 -0.542 200 HZ2 LYS 23 HZ2 LYS 23 -11.094 -12.638 -2.214 201 HZ3 LYS 23 HZ3 LYS 23 -10.859 -11.331 -1.166 202 H ASP 24 H ASP 24 -4.524 -14.963 2.055 203 HA ASP 24 HA ASP 24 -5.100 -13.523 4.407 204 HB2 ASP 24 HB2 ASP 24 -4.750 -16.161 3.825 205 HB3 ASP 24 HB1 ASP 24 -3.244 -15.809 4.664 206 H TYR 25 H TYR 25 -2.042 -14.425 2.853 207 HA TYR 25 HA TYR 25 -0.386 -13.169 4.781 208 HB2 TYR 25 HB2 TYR 25 0.442 -14.934 3.265 209 HB3 TYR 25 HB1 TYR 25 0.220 -13.853 1.893 210 HD1 TYR 25 HD2 TYR 25 1.938 -13.864 5.217 211 HD2 TYR 25 HD1 TYR 25 2.085 -12.750 1.113 212 HE1 TYR 25 HE2 TYR 25 4.216 -12.999 5.540 213 HE2 TYR 25 HE1 TYR 25 4.365 -11.882 1.425 214 HH TYR 25 HH TYR 25 6.257 -12.175 2.943 215 H LEU 26 H LEU 26 -1.519 -12.113 1.561 216 HA LEU 26 HA LEU 26 -0.227 -9.627 1.593 217 HB2 LEU 26 HB2 LEU 26 -1.259 -10.427 -0.444 218 HB3 LEU 26 HB1 LEU 26 -2.840 -10.453 0.316 219 HG LEU 26 HG LEU 26 -2.881 -8.033 0.426 220 HD11 LEU 26 HD11 LEU 26 -0.551 -7.573 0.818 221 HD12 LEU 26 HD12 LEU 26 -1.082 -6.706 -0.623 222 HD13 LEU 26 HD13 LEU 26 -0.125 -8.180 -0.782 223 HD21 LEU 26 HD21 LEU 26 -3.206 -9.499 -1.812 224 HD22 LEU 26 HD22 LEU 26 -1.970 -8.362 -2.353 225 HD23 LEU 26 HD23 LEU 26 -3.503 -7.763 -1.722 226 H TYR 27 H TYR 27 -3.346 -10.682 2.860 227 HA TYR 27 HA TYR 27 -4.190 -8.159 3.807 228 HB2 TYR 27 HB2 TYR 27 -4.971 -10.965 4.234 229 HB3 TYR 27 HB1 TYR 27 -5.239 -9.933 5.632 230 HD1 TYR 27 HD1 TYR 27 -6.222 -7.481 4.783 231 HD2 TYR 27 HD2 TYR 27 -6.856 -11.265 2.946 232 HE1 TYR 27 HE1 TYR 27 -8.298 -6.635 3.774 233 HE2 TYR 27 HE2 TYR 27 -8.934 -10.431 1.931 234 HH TYR 27 HH TYR 27 -9.781 -7.103 1.945 235 H ASP 28 H ASP 28 -2.003 -10.620 5.022 236 HA ASP 28 HA ASP 28 -1.716 -9.500 7.634 237 HB2 ASP 28 HB2 ASP 28 -1.184 -11.898 6.900 238 HB3 ASP 28 HB1 ASP 28 0.308 -11.244 6.230 239 H VAL 29 H VAL 29 -0.145 -9.051 4.516 240 HA VAL 29 HA VAL 29 2.136 -7.664 5.423 241 HB VAL 29 HB VAL 29 0.676 -7.432 2.785 242 HG11 VAL 29 HG11 VAL 29 3.206 -6.764 2.190 243 HG12 VAL 29 HG12 VAL 29 3.107 -6.116 3.827 244 HG13 VAL 29 HG13 VAL 29 1.964 -5.580 2.595 245 HG21 VAL 29 HG21 VAL 29 2.276 -8.993 1.936 246 HG22 VAL 29 HG22 VAL 29 1.565 -9.684 3.392 247 HG23 VAL 29 HG23 VAL 29 3.176 -8.974 3.451 248 H LEU 30 H LEU 30 -0.945 -6.407 4.133 249 HA LEU 30 HA LEU 30 -0.386 -3.698 4.593 250 HB2 LEU 30 HB2 LEU 30 -3.116 -4.977 4.664 251 HB3 LEU 30 HB1 LEU 30 -2.739 -3.306 4.291 252 HG LEU 30 HG LEU 30 -1.505 -5.343 2.534 253 HD11 LEU 30 HD11 LEU 30 -4.261 -4.658 1.781 254 HD12 LEU 30 HD12 LEU 30 -4.105 -5.790 3.125 255 HD13 LEU 30 HD13 LEU 30 -3.362 -6.161 1.568 256 HD21 LEU 30 HD21 LEU 30 -2.211 -3.647 0.830 257 HD22 LEU 30 HD22 LEU 30 -1.097 -3.047 2.058 258 HD23 LEU 30 HD23 LEU 30 -2.814 -2.658 2.160 259 H ARG 31 H ARG 31 -1.887 -6.162 6.616 260 HA ARG 31 HA ARG 31 -2.685 -4.487 8.729 261 HB2 ARG 31 HB2 ARG 31 -2.619 -7.296 8.185 262 HB3 ARG 31 HB1 ARG 31 -1.958 -7.022 9.790 263 HG2 ARG 31 HG2 ARG 31 -4.216 -7.323 10.188 264 HG3 ARG 31 HG1 ARG 31 -4.045 -5.567 10.172 265 HD2 ARG 31 HD2 ARG 31 -5.885 -5.833 8.825 266 HD3 ARG 31 HD1 ARG 31 -4.593 -5.847 7.624 267 HE ARG 31 HE ARG 31 -5.092 -8.034 7.168 268 HH11 ARG 31 HH11 ARG 31 -6.587 -7.148 10.194 269 HH12 ARG 31 HH12 ARG 31 -7.485 -8.622 10.327 270 HH21 ARG 31 HH21 ARG 31 -6.274 -9.973 7.339 271 HH22 ARG 31 HH22 ARG 31 -7.307 -10.226 8.705 272 H MET 32 H MET 32 0.338 -6.183 8.057 273 HA MET 32 HA MET 32 1.556 -5.409 10.537 274 HB2 MET 32 HB2 MET 32 2.767 -7.198 9.919 275 HB3 MET 32 HB1 MET 32 2.214 -7.087 8.255 276 HG2 MET 32 HG2 MET 32 3.981 -5.679 7.643 277 HG3 MET 32 HG1 MET 32 4.379 -5.310 9.320 278 HE1 MET 32 HE1 MET 32 4.762 -7.465 10.981 279 HE2 MET 32 HE2 MET 32 6.285 -6.642 10.647 280 HE3 MET 32 HE3 MET 32 6.206 -8.403 10.596 281 H TYR 33 H TYR 33 1.392 -4.169 7.277 282 HA TYR 33 HA TYR 33 3.499 -2.289 7.477 283 HB2 TYR 33 HB2 TYR 33 2.721 -2.895 5.296 284 HB3 TYR 33 HB1 TYR 33 1.067 -2.440 5.689 285 HD1 TYR 33 HD1 TYR 33 4.126 -0.471 6.423 286 HD2 TYR 33 HD2 TYR 33 0.643 -0.845 4.009 287 HE1 TYR 33 HE1 TYR 33 4.528 1.775 5.504 288 HE2 TYR 33 HE2 TYR 33 1.035 1.397 3.083 289 HH TYR 33 HH TYR 33 2.189 3.437 3.625 290 H HIS 34 H HIS 34 0.205 -2.302 8.565 291 HA HIS 34 HA HIS 34 0.053 0.550 8.940 292 HB2 HIS 34 HB2 HIS 34 -1.960 -0.800 8.463 293 HB3 HIS 34 HB1 HIS 34 -1.745 -1.643 9.994 294 HD1 HIS 34 HD1 HIS 34 -1.743 0.122 12.151 295 HD2 HIS 34 HD2 HIS 34 -3.638 1.301 8.649 296 HE1 HIS 34 HE1 HIS 34 -3.302 1.976 12.824 297 HE2 HIS 34 HE2 HIS 34 -4.501 2.617 10.702 298 H GLN 35 H GLN 35 0.900 -2.244 10.856 299 HA GLN 35 HA GLN 35 0.833 -0.856 13.366 300 HB2 GLN 35 HB2 GLN 35 1.199 -3.566 12.461 301 HB3 GLN 35 HB1 GLN 35 2.439 -3.146 13.634 302 HG2 GLN 35 HG2 GLN 35 0.384 -2.214 14.980 303 HG3 GLN 35 HG1 GLN 35 -0.504 -3.356 13.973 304 HE21 GLN 35 HE21 GLN 35 -1.034 -4.753 15.595 305 HE22 GLN 35 HE22 GLN 35 0.124 -5.719 16.437 306 H THR 36 H THR 36 3.518 -2.340 11.573 307 HA THR 36 HA THR 36 5.479 -0.885 13.065 308 HB THR 36 HB THR 36 6.054 -3.076 12.285 309 HG1 THR 36 HG1 THR 36 7.750 -1.539 12.257 310 HG21 THR 36 HG21 THR 36 5.103 -3.777 10.396 311 HG22 THR 36 HG22 THR 36 6.494 -3.030 9.607 312 HG23 THR 36 HG23 THR 36 4.974 -2.145 9.737 313 H MET 37 H MET 37 3.719 -0.292 10.152 314 HA MET 37 HA MET 37 3.712 1.453 8.690 315 HB2 MET 37 HB2 MET 37 5.057 2.608 11.084 316 HB3 MET 37 HB1 MET 37 5.128 3.518 9.582 317 HG2 MET 37 HG2 MET 37 2.617 2.585 10.953 318 HG3 MET 37 HG1 MET 37 3.267 4.223 10.990 319 HE1 MET 37 HE1 MET 37 0.273 2.485 8.541 320 HE2 MET 37 HE2 MET 37 -0.024 4.006 9.383 321 HE3 MET 37 HE3 MET 37 0.663 2.635 10.254 322 H ASP 38 H ASP 38 5.594 -0.602 8.301 323 HA ASP 38 HA ASP 38 7.951 0.817 7.263 324 HB2 ASP 38 HB2 ASP 38 7.474 -1.943 8.254 325 HB3 ASP 38 HB1 ASP 38 8.632 -1.754 6.942 326 H VAL 39 H VAL 39 7.770 1.399 5.214 327 HA VAL 39 HA VAL 39 5.958 0.112 3.400 328 HB VAL 39 HB VAL 39 8.089 2.139 2.718 329 HG11 VAL 39 HG11 VAL 39 5.442 1.648 1.375 330 HG12 VAL 39 HG12 VAL 39 6.937 0.861 0.874 331 HG13 VAL 39 HG13 VAL 39 6.795 2.617 0.792 332 HG21 VAL 39 HG21 VAL 39 5.232 2.791 3.377 333 HG22 VAL 39 HG22 VAL 39 6.607 3.884 3.230 334 HG23 VAL 39 HG23 VAL 39 6.496 2.788 4.607 335 H ALA 40 H ALA 40 9.318 -0.182 4.181 336 HA ALA 40 HA ALA 40 10.129 -1.415 1.734 337 HB1 ALA 40 HB1 ALA 40 12.220 -1.756 2.762 338 HB2 ALA 40 HB2 ALA 40 11.526 -1.696 4.382 339 HB3 ALA 40 HB3 ALA 40 11.628 -0.227 3.412 340 H VAL 41 H VAL 41 8.688 -2.475 4.704 341 HA VAL 41 HA VAL 41 9.311 -5.247 4.316 342 HB VAL 41 HB VAL 41 7.264 -4.015 6.164 343 HG11 VAL 41 HG11 VAL 41 7.570 -6.659 5.472 344 HG12 VAL 41 HG12 VAL 41 6.822 -6.061 6.953 345 HG13 VAL 41 HG13 VAL 41 8.523 -6.526 6.951 346 HG21 VAL 41 HG21 VAL 41 8.876 -3.816 7.807 347 HG22 VAL 41 HG22 VAL 41 9.767 -3.346 6.359 348 HG23 VAL 41 HG23 VAL 41 9.963 -4.966 7.027 349 H LEU 42 H LEU 42 6.486 -3.169 3.831 350 HA LEU 42 HA LEU 42 4.725 -5.235 3.050 351 HB2 LEU 42 HB2 LEU 42 3.193 -3.581 2.557 352 HB3 LEU 42 HB1 LEU 42 4.214 -2.791 3.742 353 HG LEU 42 HG LEU 42 5.478 -1.889 1.624 354 HD11 LEU 42 HD11 LEU 42 4.539 -2.790 -0.229 355 HD12 LEU 42 HD12 LEU 42 3.444 -1.418 -0.042 356 HD13 LEU 42 HD13 LEU 42 2.968 -3.014 0.542 357 HD21 LEU 42 HD21 LEU 42 2.766 -0.751 2.244 358 HD22 LEU 42 HD22 LEU 42 4.238 0.105 1.783 359 HD23 LEU 42 HD23 LEU 42 4.116 -0.648 3.373 360 H VAL 43 H VAL 43 6.951 -3.166 1.249 361 HA VAL 43 HA VAL 43 6.134 -3.953 -1.338 362 HB VAL 43 HB VAL 43 8.868 -3.014 -0.448 363 HG11 VAL 43 HG11 VAL 43 9.111 -3.976 -2.590 364 HG12 VAL 43 HG12 VAL 43 8.989 -2.236 -2.856 365 HG13 VAL 43 HG13 VAL 43 7.597 -3.275 -3.161 366 HG21 VAL 43 HG21 VAL 43 8.144 -0.882 -0.491 367 HG22 VAL 43 HG22 VAL 43 6.564 -1.615 -0.207 368 HG23 VAL 43 HG23 VAL 43 7.049 -1.171 -1.844 369 H GLY 44 H GLY 44 8.614 -5.204 0.872 370 HA2 GLY 44 HA2 GLY 44 9.773 -7.096 -0.827 371 HA3 GLY 44 HA1 GLY 44 9.710 -7.221 0.926 372 H ASP 45 H ASP 45 7.136 -7.561 1.526 373 HA ASP 45 HA ASP 45 6.643 -10.252 0.897 374 HB2 ASP 45 HB2 ASP 45 4.710 -8.175 1.958 375 HB3 ASP 45 HB1 ASP 45 4.469 -9.918 2.009 376 H LEU 46 H LEU 46 5.202 -7.258 -0.349 377 HA LEU 46 HA LEU 46 3.216 -8.283 -1.953 378 HB2 LEU 46 HB2 LEU 46 4.896 -5.848 -2.002 379 HB3 LEU 46 HB1 LEU 46 4.088 -6.249 -3.505 380 HG LEU 46 HG LEU 46 2.753 -5.766 -0.840 381 HD11 LEU 46 HD11 LEU 46 2.129 -4.125 -3.206 382 HD12 LEU 46 HD12 LEU 46 3.734 -3.895 -2.512 383 HD13 LEU 46 HD13 LEU 46 2.299 -3.664 -1.513 384 HD21 LEU 46 HD21 LEU 46 1.832 -7.390 -2.864 385 HD22 LEU 46 HD22 LEU 46 1.071 -5.840 -3.219 386 HD23 LEU 46 HD23 LEU 46 0.840 -6.596 -1.642 387 H LYS 47 H LYS 47 6.673 -8.033 -2.622 388 HA LYS 47 HA LYS 47 6.521 -8.894 -5.324 389 HB2 LYS 47 HB2 LYS 47 8.683 -8.531 -3.310 390 HB3 LYS 47 HB1 LYS 47 9.030 -9.559 -4.695 391 HG2 LYS 47 HG2 LYS 47 9.765 -7.473 -5.378 392 HG3 LYS 47 HG1 LYS 47 8.161 -7.591 -6.106 393 HD2 LYS 47 HD2 LYS 47 7.240 -6.308 -4.208 394 HD3 LYS 47 HD1 LYS 47 8.873 -6.141 -3.556 395 HE2 LYS 47 HE2 LYS 47 8.229 -5.257 -6.345 396 HE3 LYS 47 HE1 LYS 47 7.888 -4.213 -4.964 397 HZ1 LYS 47 HZ1 LYS 47 10.062 -3.812 -4.618 398 HZ2 LYS 47 HZ2 LYS 47 10.208 -4.220 -6.253 399 HZ3 LYS 47 HZ3 LYS 47 10.551 -5.370 -5.062 400 H LEU 48 H LEU 48 7.345 -10.585 -2.301 401 HA LEU 48 HA LEU 48 7.847 -13.106 -3.312 402 HB2 LEU 48 HB2 LEU 48 6.878 -12.045 -0.718 403 HB3 LEU 48 HB1 LEU 48 6.649 -13.761 -0.997 404 HG LEU 48 HG LEU 48 9.293 -12.306 -1.088 405 HD11 LEU 48 HD11 LEU 48 8.570 -12.451 1.170 406 HD12 LEU 48 HD12 LEU 48 9.759 -13.730 0.921 407 HD13 LEU 48 HD13 LEU 48 8.040 -14.121 0.959 408 HD21 LEU 48 HD21 LEU 48 8.529 -15.172 -1.569 409 HD22 LEU 48 HD22 LEU 48 10.162 -14.693 -1.110 410 HD23 LEU 48 HD23 LEU 48 9.456 -14.092 -2.610 411 H VAL 49 H VAL 49 4.830 -11.429 -2.985 412 HA VAL 49 HA VAL 49 3.316 -13.857 -3.638 413 HB VAL 49 HB VAL 49 2.242 -11.118 -2.951 414 HG11 VAL 49 HG11 VAL 49 0.178 -11.945 -3.213 415 HG12 VAL 49 HG12 VAL 49 0.594 -13.479 -2.448 416 HG13 VAL 49 HG13 VAL 49 0.962 -13.215 -4.153 417 HG21 VAL 49 HG21 VAL 49 2.543 -13.517 -1.149 418 HG22 VAL 49 HG22 VAL 49 1.827 -11.964 -0.718 419 HG23 VAL 49 HG23 VAL 49 3.547 -12.068 -1.093 420 H ILE 50 H ILE 50 4.376 -10.805 -4.908 421 HA ILE 50 HA ILE 50 2.778 -11.195 -7.334 422 HB ILE 50 HB ILE 50 4.321 -8.750 -6.462 423 HG12 ILE 50 HG12 ILE 50 1.331 -8.946 -6.557 424 HG13 ILE 50 HG11 ILE 50 2.202 -9.543 -5.148 425 HG21 ILE 50 HG21 ILE 50 2.578 -7.810 -8.238 426 HG22 ILE 50 HG22 ILE 50 2.772 -9.438 -8.887 427 HG23 ILE 50 HG23 ILE 50 4.178 -8.391 -8.695 428 HD11 ILE 50 HD11 ILE 50 2.258 -6.742 -6.237 429 HD12 ILE 50 HD12 ILE 50 3.215 -7.321 -4.874 430 HD13 ILE 50 HD13 ILE 50 1.456 -7.294 -4.768 431 H ASN 51 H ASN 51 5.255 -12.648 -6.592 432 HA ASN 51 HA ASN 51 7.517 -11.857 -7.939 433 HB2 ASN 51 HB2 ASN 51 6.396 -14.412 -7.043 434 HB3 ASN 51 HB1 ASN 51 7.473 -14.571 -8.426 435 HD21 ASN 51 HD21 ASN 51 7.480 -14.935 -5.292 436 HD22 ASN 51 HD22 ASN 51 9.067 -14.391 -4.880 437 H GLU 52 H GLU 52 4.510 -12.997 -9.258 438 HA GLU 52 HA GLU 52 5.675 -13.162 -11.942 439 HB2 GLU 52 HB2 GLU 52 3.259 -14.301 -10.641 440 HB3 GLU 52 HB1 GLU 52 3.132 -13.906 -12.350 441 HG2 GLU 52 HG2 GLU 52 5.405 -15.553 -11.314 442 HG3 GLU 52 HG1 GLU 52 3.839 -16.278 -11.675 443 HA PRO 53 HA PRO 53 4.197 -9.189 -13.175 444 HB2 PRO 53 HB2 PRO 53 3.428 -10.481 -15.734 445 HB3 PRO 53 HB1 PRO 53 4.490 -9.098 -15.444 446 HG2 PRO 53 HG2 PRO 53 5.493 -11.475 -16.115 447 HG3 PRO 53 HG1 PRO 53 6.311 -10.436 -14.934 448 HD2 PRO 53 HD2 PRO 53 4.638 -12.871 -14.481 449 HD3 PRO 53 HD1 PRO 53 6.112 -12.341 -13.644 450 H SER 54 H SER 54 2.180 -12.023 -13.527 451 HA SER 54 HA SER 54 -0.217 -10.863 -14.329 452 HB2 SER 54 HB2 SER 54 0.187 -13.307 -14.184 453 HB3 SER 54 HB1 SER 54 0.119 -13.193 -12.425 454 HG SER 54 HG SER 54 -1.952 -13.380 -12.635 455 H ARG 55 H ARG 55 1.199 -11.119 -11.105 456 HA ARG 55 HA ARG 55 -1.129 -9.891 -9.878 457 HB2 ARG 55 HB2 ARG 55 1.487 -10.907 -8.783 458 HB3 ARG 55 HB1 ARG 55 0.307 -10.068 -7.787 459 HG2 ARG 55 HG2 ARG 55 -0.781 -11.964 -7.466 460 HG3 ARG 55 HG1 ARG 55 -1.052 -12.111 -9.203 461 HD2 ARG 55 HD2 ARG 55 1.656 -12.835 -8.399 462 HD3 ARG 55 HD1 ARG 55 0.419 -13.836 -7.640 463 HE ARG 55 HE ARG 55 1.264 -13.973 -10.324 464 HH11 ARG 55 HH11 ARG 55 -1.637 -14.108 -8.392 465 HH12 ARG 55 HH12 ARG 55 -2.489 -15.113 -9.516 466 HH21 ARG 55 HH21 ARG 55 0.145 -15.294 -11.805 467 HH22 ARG 55 HH22 ARG 55 -1.477 -15.786 -11.452 468 H LEU 56 H LEU 56 0.940 -8.521 -11.782 469 HA LEU 56 HA LEU 56 2.378 -6.572 -10.477 470 HB2 LEU 56 HB2 LEU 56 1.116 -6.803 -13.147 471 HB3 LEU 56 HB1 LEU 56 1.605 -5.195 -12.646 472 HG LEU 56 HG LEU 56 3.544 -7.473 -12.489 473 HD11 LEU 56 HD11 LEU 56 4.189 -7.266 -14.711 474 HD12 LEU 56 HD12 LEU 56 3.330 -5.741 -14.921 475 HD13 LEU 56 HD13 LEU 56 2.428 -7.250 -14.800 476 HD21 LEU 56 HD21 LEU 56 3.964 -4.544 -13.045 477 HD22 LEU 56 HD22 LEU 56 5.182 -5.751 -12.632 478 HD23 LEU 56 HD23 LEU 56 3.995 -5.250 -11.428 479 HA PRO 57 HA PRO 57 -1.771 -3.715 -11.086 480 HB2 PRO 57 HB2 PRO 57 -3.618 -5.646 -9.940 481 HB3 PRO 57 HB1 PRO 57 -3.758 -4.722 -11.435 482 HG2 PRO 57 HG2 PRO 57 -2.866 -7.475 -11.038 483 HG3 PRO 57 HG1 PRO 57 -3.351 -6.660 -12.532 484 HD2 PRO 57 HD2 PRO 57 -0.796 -7.397 -12.027 485 HD3 PRO 57 HD1 PRO 57 -1.203 -5.968 -12.998 486 H LEU 58 H LEU 58 -1.033 -6.136 -8.608 487 HA LEU 58 HA LEU 58 -2.201 -4.938 -6.399 488 HB2 LEU 58 HB2 LEU 58 -0.313 -7.005 -6.882 489 HB3 LEU 58 HB1 LEU 58 0.326 -5.983 -5.610 490 HG LEU 58 HG LEU 58 -2.416 -7.244 -5.558 491 HD11 LEU 58 HD11 LEU 58 -1.594 -8.964 -4.254 492 HD12 LEU 58 HD12 LEU 58 -0.122 -8.087 -3.837 493 HD13 LEU 58 HD13 LEU 58 -0.317 -8.764 -5.454 494 HD21 LEU 58 HD21 LEU 58 -2.705 -6.344 -3.472 495 HD22 LEU 58 HD22 LEU 58 -1.774 -5.060 -4.243 496 HD23 LEU 58 HD23 LEU 58 -0.973 -6.207 -3.169 497 H PHE 59 H PHE 59 0.973 -4.293 -7.835 498 HA PHE 59 HA PHE 59 1.910 -2.516 -5.887 499 HB2 PHE 59 HB2 PHE 59 2.528 -2.435 -8.846 500 HB3 PHE 59 HB1 PHE 59 3.515 -1.779 -7.545 501 HD1 PHE 59 HD1 PHE 59 3.476 -3.954 -5.588 502 HD2 PHE 59 HD2 PHE 59 3.815 -4.082 -9.827 503 HE1 PHE 59 HE1 PHE 59 4.683 -6.093 -5.422 504 HE2 PHE 59 HE2 PHE 59 5.019 -6.222 -9.670 505 HZ PHE 59 HZ PHE 59 5.456 -7.230 -7.466 506 H ASP 60 H ASP 60 0.229 -1.829 -8.952 507 HA ASP 60 HA ASP 60 0.081 0.982 -8.429 508 HB2 ASP 60 HB2 ASP 60 -0.864 -0.861 -10.555 509 HB3 ASP 60 HB1 ASP 60 -1.753 0.648 -10.366 510 H ALA 61 H ALA 61 -1.883 -1.774 -7.740 511 HA ALA 61 HA ALA 61 -4.347 -0.455 -7.311 512 HB1 ALA 61 HB1 ALA 61 -4.292 -2.822 -7.681 513 HB2 ALA 61 HB2 ALA 61 -4.942 -2.525 -6.069 514 HB3 ALA 61 HB3 ALA 61 -3.274 -3.067 -6.263 515 H ILE 62 H ILE 62 -1.777 -1.479 -5.086 516 HA ILE 62 HA ILE 62 -3.056 -0.393 -2.775 517 HB ILE 62 HB ILE 62 -0.149 -1.143 -3.039 518 HG12 ILE 62 HG12 ILE 62 -2.237 -3.016 -1.986 519 HG13 ILE 62 HG11 ILE 62 -2.001 -2.889 -3.725 520 HG21 ILE 62 HG21 ILE 62 -1.477 -1.713 -0.528 521 HG22 ILE 62 HG22 ILE 62 -1.560 0.000 -0.944 522 HG23 ILE 62 HG23 ILE 62 0.004 -0.809 -0.844 523 HD11 ILE 62 HD11 ILE 62 -0.105 -4.057 -3.665 524 HD12 ILE 62 HD12 ILE 62 -0.650 -4.568 -2.067 525 HD13 ILE 62 HD13 ILE 62 0.477 -3.221 -2.225 526 H ARG 63 H ARG 63 -0.598 0.748 -5.006 527 HA ARG 63 HA ARG 63 0.634 2.771 -3.715 528 HB2 ARG 63 HB2 ARG 63 0.485 1.995 -6.299 529 HB3 ARG 63 HB1 ARG 63 -0.348 3.540 -6.388 530 HG2 ARG 63 HG2 ARG 63 1.549 4.706 -5.560 531 HG3 ARG 63 HG1 ARG 63 2.368 3.199 -5.146 532 HD2 ARG 63 HD2 ARG 63 1.631 4.062 -7.940 533 HD3 ARG 63 HD1 ARG 63 3.231 4.228 -7.219 534 HE ARG 63 HE ARG 63 2.234 1.540 -7.156 535 HH11 ARG 63 HH11 ARG 63 3.892 3.914 -9.104 536 HH12 ARG 63 HH12 ARG 63 4.692 2.732 -10.085 537 HH21 ARG 63 HH21 ARG 63 3.286 -0.015 -8.444 538 HH22 ARG 63 HH22 ARG 63 4.349 0.501 -9.711 539 HA PRO 64 HA PRO 64 -2.992 5.936 -4.835 540 HB2 PRO 64 HB2 PRO 64 -5.448 4.620 -4.546 541 HB3 PRO 64 HB1 PRO 64 -4.726 5.168 -6.061 542 HG2 PRO 64 HG2 PRO 64 -4.710 2.462 -4.819 543 HG3 PRO 64 HG1 PRO 64 -4.803 2.914 -6.531 544 HD2 PRO 64 HD2 PRO 64 -2.535 1.977 -5.476 545 HD3 PRO 64 HD1 PRO 64 -2.509 3.275 -6.688 546 H LEU 65 H LEU 65 -4.072 3.231 -2.742 547 HA LEU 65 HA LEU 65 -4.956 5.023 -0.698 548 HB2 LEU 65 HB2 LEU 65 -5.259 2.973 0.659 549 HB3 LEU 65 HB1 LEU 65 -6.067 2.922 -0.896 550 HG LEU 65 HG LEU 65 -3.361 1.737 -0.811 551 HD11 LEU 65 HD11 LEU 65 -4.728 -0.411 0.006 552 HD12 LEU 65 HD12 LEU 65 -5.568 0.835 0.930 553 HD13 LEU 65 HD13 LEU 65 -3.824 0.632 1.103 554 HD21 LEU 65 HD21 LEU 65 -4.231 1.244 -2.823 555 HD22 LEU 65 HD22 LEU 65 -5.893 1.460 -2.271 556 HD23 LEU 65 HD23 LEU 65 -5.048 -0.055 -1.954 557 H ILE 66 H ILE 66 -1.900 4.005 -1.603 558 HA ILE 66 HA ILE 66 -0.758 3.933 1.052 559 HB ILE 66 HB ILE 66 0.342 3.621 -1.719 560 HG12 ILE 66 HG12 ILE 66 0.486 1.960 0.804 561 HG13 ILE 66 HG11 ILE 66 -0.546 1.654 -0.589 562 HG21 ILE 66 HG21 ILE 66 1.979 5.061 -0.772 563 HG22 ILE 66 HG22 ILE 66 2.626 3.422 -0.704 564 HG23 ILE 66 HG23 ILE 66 1.971 4.172 0.751 565 HD11 ILE 66 HD11 ILE 66 1.594 0.279 -0.335 566 HD12 ILE 66 HD12 ILE 66 2.433 1.738 -0.859 567 HD13 ILE 66 HD13 ILE 66 1.242 0.979 -1.915 568 HA PRO 67 HA PRO 67 -0.208 8.324 1.641 569 HB2 PRO 67 HB2 PRO 67 2.366 8.006 2.790 570 HB3 PRO 67 HB1 PRO 67 0.832 8.187 3.641 571 HG2 PRO 67 HG2 PRO 67 2.381 5.738 3.045 572 HG3 PRO 67 HG1 PRO 67 1.271 6.071 4.383 573 HD2 PRO 67 HD2 PRO 67 0.602 4.443 2.350 574 HD3 PRO 67 HD1 PRO 67 -0.595 5.489 3.143 575 H LEU 68 H LEU 68 0.538 9.863 0.547 576 HA LEU 68 HA LEU 68 1.750 9.637 -1.880 577 HB2 LEU 68 HB2 LEU 68 1.051 11.684 0.049 578 HB3 LEU 68 HB1 LEU 68 2.416 12.150 -0.950 579 HG LEU 68 HG LEU 68 -0.318 11.334 -1.903 580 HD11 LEU 68 HD11 LEU 68 1.080 13.984 -2.204 581 HD12 LEU 68 HD12 LEU 68 -0.056 13.621 -0.904 582 HD13 LEU 68 HD13 LEU 68 -0.599 13.597 -2.583 583 HD21 LEU 68 HD21 LEU 68 0.848 12.320 -4.100 584 HD22 LEU 68 HD22 LEU 68 0.876 10.605 -3.687 585 HD23 LEU 68 HD23 LEU 68 2.267 11.624 -3.314 586 H LYS 69 H LYS 69 3.303 10.418 1.233 587 HA LYS 69 HA LYS 69 5.901 10.804 0.221 588 HB2 LYS 69 HB2 LYS 69 4.639 10.527 2.829 589 HB3 LYS 69 HB1 LYS 69 6.223 9.767 2.790 590 HG2 LYS 69 HG2 LYS 69 7.291 11.725 2.730 591 HG3 LYS 69 HG1 LYS 69 6.161 12.416 1.565 592 HD2 LYS 69 HD2 LYS 69 5.515 13.702 3.293 593 HD3 LYS 69 HD1 LYS 69 4.607 12.273 3.790 594 HE2 LYS 69 HE2 LYS 69 5.724 12.576 5.727 595 HE3 LYS 69 HE1 LYS 69 7.000 11.707 4.878 596 HZ1 LYS 69 HZ1 LYS 69 8.200 13.495 5.479 597 HZ2 LYS 69 HZ2 LYS 69 6.854 14.505 5.636 598 HZ3 LYS 69 HZ3 LYS 69 7.506 14.199 4.106 599 H HIS 70 H HIS 70 4.487 7.964 1.838 600 HA HIS 70 HA HIS 70 6.658 6.243 1.366 601 HB2 HIS 70 HB2 HIS 70 3.753 5.474 1.703 602 HB3 HIS 70 HB1 HIS 70 5.150 4.441 1.976 603 HD1 HIS 70 HD1 HIS 70 3.901 4.247 4.404 604 HD2 HIS 70 HD2 HIS 70 5.777 7.847 3.516 605 HE1 HIS 70 HE1 HIS 70 4.204 5.410 6.613 606 HE2 HIS 70 HE2 HIS 70 5.259 7.625 6.040 607 H GLN 71 H GLN 71 4.098 7.342 -0.674 608 HA GLN 71 HA GLN 71 4.023 5.229 -2.535 609 HB2 GLN 71 HB2 GLN 71 3.025 7.959 -2.355 610 HB3 GLN 71 HB1 GLN 71 3.523 7.551 -3.991 611 HG2 GLN 71 HG2 GLN 71 2.110 5.446 -3.706 612 HG3 GLN 71 HG1 GLN 71 1.423 6.251 -2.296 613 HE21 GLN 71 HE21 GLN 71 -0.339 7.383 -2.647 614 HE22 GLN 71 HE22 GLN 71 -0.827 8.071 -4.154 615 H VAL 72 H VAL 72 5.865 8.267 -2.495 616 HA VAL 72 HA VAL 72 7.294 7.814 -4.880 617 HB VAL 72 HB VAL 72 8.436 9.320 -2.549 618 HG11 VAL 72 HG11 VAL 72 8.533 10.102 -5.437 619 HG12 VAL 72 HG12 VAL 72 9.649 8.904 -4.782 620 HG13 VAL 72 HG13 VAL 72 9.629 10.542 -4.126 621 HG21 VAL 72 HG21 VAL 72 6.284 10.226 -2.563 622 HG22 VAL 72 HG22 VAL 72 6.144 10.104 -4.316 623 HG23 VAL 72 HG23 VAL 72 7.200 11.322 -3.599 624 H GLU 73 H GLU 73 8.248 7.344 -1.471 625 HA GLU 73 HA GLU 73 10.732 6.150 -1.994 626 HB2 GLU 73 HB2 GLU 73 9.535 6.931 0.262 627 HB3 GLU 73 HB1 GLU 73 9.148 5.219 0.357 628 HG2 GLU 73 HG2 GLU 73 11.109 5.219 1.489 629 HG3 GLU 73 HG1 GLU 73 11.726 4.970 -0.145 630 H TYR 74 H TYR 74 7.486 4.855 -1.869 631 HA TYR 74 HA TYR 74 8.116 2.113 -1.916 632 HB2 TYR 74 HB2 TYR 74 5.844 2.852 -1.464 633 HB3 TYR 74 HB1 TYR 74 5.735 3.603 -3.053 634 HD1 TYR 74 HD2 TYR 74 5.788 2.103 -5.097 635 HD2 TYR 74 HD1 TYR 74 5.274 0.595 -1.152 636 HE1 TYR 74 HE2 TYR 74 4.868 0.017 -6.019 637 HE2 TYR 74 HE1 TYR 74 4.354 -1.494 -2.064 638 HH TYR 74 HH TYR 74 3.125 -2.125 -4.340 639 H ASP 75 H ASP 75 7.981 4.611 -4.353 640 HA ASP 75 HA ASP 75 8.226 2.858 -6.602 641 HB2 ASP 75 HB2 ASP 75 7.673 5.567 -6.229 642 HB3 ASP 75 HB1 ASP 75 9.232 5.553 -7.048 643 H GLN 76 H GLN 76 10.439 4.543 -4.460 644 HA GLN 76 HA GLN 76 12.777 4.237 -6.018 645 HB2 GLN 76 HB2 GLN 76 12.532 4.430 -3.011 646 HB3 GLN 76 HB1 GLN 76 13.990 4.713 -3.950 647 HG2 GLN 76 HG2 GLN 76 11.524 6.322 -4.455 648 HG3 GLN 76 HG1 GLN 76 12.609 6.725 -3.124 649 HE21 GLN 76 HE21 GLN 76 13.717 8.448 -3.724 650 HE22 GLN 76 HE22 GLN 76 14.540 8.649 -5.230 651 H LEU 77 H LEU 77 11.140 2.157 -3.723 652 HA LEU 77 HA LEU 77 13.277 0.221 -3.653 653 HB2 LEU 77 HB2 LEU 77 10.458 0.194 -2.589 654 HB3 LEU 77 HB1 LEU 77 11.563 -1.155 -2.410 655 HG LEU 77 HG LEU 77 12.514 1.493 -1.462 656 HD11 LEU 77 HD11 LEU 77 10.582 1.808 -0.333 657 HD12 LEU 77 HD12 LEU 77 11.318 0.657 0.781 658 HD13 LEU 77 HD13 LEU 77 10.131 0.105 -0.401 659 HD21 LEU 77 HD21 LEU 77 12.673 -1.015 0.109 660 HD22 LEU 77 HD22 LEU 77 13.874 0.255 -0.130 661 HD23 LEU 77 HD23 LEU 77 13.589 -0.940 -1.396 662 H THR 78 H THR 78 10.257 0.682 -5.360 663 HA THR 78 HA THR 78 10.529 -1.929 -6.656 664 HB THR 78 HB THR 78 8.274 -1.426 -7.589 665 HG1 THR 78 HG1 THR 78 7.918 0.662 -7.602 666 HG21 THR 78 HG21 THR 78 8.886 -2.050 -4.914 667 HG22 THR 78 HG22 THR 78 7.422 -2.429 -5.821 668 HG23 THR 78 HG23 THR 78 7.521 -0.933 -4.894 669 HA PRO 79 HA PRO 79 12.532 0.590 -9.895 670 HB2 PRO 79 HB2 PRO 79 13.626 -1.543 -11.191 671 HB3 PRO 79 HB1 PRO 79 14.371 -0.774 -9.784 672 HG2 PRO 79 HG2 PRO 79 12.710 -3.260 -9.928 673 HG3 PRO 79 HG1 PRO 79 14.194 -2.958 -9.006 674 HD2 PRO 79 HD2 PRO 79 11.749 -2.883 -7.866 675 HD3 PRO 79 HD1 PRO 79 13.073 -1.826 -7.333 676 H ARG 80 H ARG 80 11.794 1.111 -11.885 677 HA ARG 80 HA ARG 80 10.400 -0.748 -13.563 678 HB2 ARG 80 HB2 ARG 80 8.766 0.210 -11.707 679 HB3 ARG 80 HB1 ARG 80 8.703 1.584 -12.802 680 HG2 ARG 80 HG2 ARG 80 6.892 0.249 -13.416 681 HG3 ARG 80 HG1 ARG 80 8.133 -0.102 -14.622 682 HD2 ARG 80 HD2 ARG 80 8.112 -2.255 -14.083 683 HD3 ARG 80 HD1 ARG 80 8.436 -1.875 -12.393 684 HE ARG 80 HE ARG 80 5.875 -2.485 -13.589 685 HH11 ARG 80 HH11 ARG 80 7.545 -1.118 -10.842 686 HH12 ARG 80 HH12 ARG 80 6.205 -1.331 -9.767 687 HH21 ARG 80 HH21 ARG 80 4.115 -2.759 -12.175 688 HH22 ARG 80 HH22 ARG 80 4.259 -2.259 -10.522 689 H1 ASP 100 H ASP 100 -2.742 14.319 5.905 690 HA ASP 100 HA ASP 100 -5.252 13.685 7.076 691 HB2 ASP 100 HB2 ASP 100 -5.187 14.472 4.231 692 HB3 ASP 100 HB1 ASP 100 -6.044 12.971 4.574 693 H ASP 101 H ASP 101 -3.422 12.280 7.853 694 HA ASP 101 HA ASP 101 -2.936 10.022 6.034 695 HB2 ASP 101 HB2 ASP 101 -1.285 11.414 7.961 696 HB3 ASP 101 HB1 ASP 101 -1.346 9.691 8.321 697 H ASP 102 H ASP 102 -2.848 7.853 7.087 698 HA ASP 102 HA ASP 102 -3.878 6.153 8.189 699 HB2 ASP 102 HB2 ASP 102 -3.738 8.326 10.212 700 HB3 ASP 102 HB1 ASP 102 -4.817 6.979 10.567 701 H ARG 103 H ARG 103 -5.445 6.893 6.297 702 HA ARG 103 HA ARG 103 -8.118 6.934 7.495 703 HB2 ARG 103 HB2 ARG 103 -7.197 9.215 6.472 704 HB3 ARG 103 HB1 ARG 103 -7.735 8.470 4.973 705 HG2 ARG 103 HG2 ARG 103 -9.910 8.722 5.475 706 HG3 ARG 103 HG1 ARG 103 -9.666 8.371 7.187 707 HD2 ARG 103 HD2 ARG 103 -8.761 10.948 5.936 708 HD3 ARG 103 HD1 ARG 103 -10.394 10.737 6.564 709 HE ARG 103 HE ARG 103 -7.991 11.100 8.083 710 HH11 ARG 103 HH11 ARG 103 -11.206 9.744 8.137 711 HH12 ARG 103 HH12 ARG 103 -11.342 9.812 9.862 712 HH21 ARG 103 HH21 ARG 103 -8.166 11.189 10.352 713 HH22 ARG 103 HH22 ARG 103 -9.617 10.633 11.119 714 H TYR 104 H TYR 104 -6.288 6.570 4.465 715 HA TYR 104 HA TYR 104 -8.296 4.971 3.214 716 HB2 TYR 104 HB2 TYR 104 -5.619 5.983 2.537 717 HB3 TYR 104 HB1 TYR 104 -6.004 4.422 1.821 718 HD1 TYR 104 HD1 TYR 104 -7.964 4.210 0.307 719 HD2 TYR 104 HD2 TYR 104 -6.657 7.986 1.767 720 HE1 TYR 104 HE1 TYR 104 -9.261 5.334 -1.453 721 HE2 TYR 104 HE2 TYR 104 -7.951 9.120 0.012 722 HH TYR 104 HH TYR 104 -10.247 7.474 -1.935 723 H LEU 105 H LEU 105 -5.074 4.210 4.531 724 HA LEU 105 HA LEU 105 -5.168 1.452 4.159 725 HB2 LEU 105 HB2 LEU 105 -3.597 3.333 5.776 726 HB3 LEU 105 HB1 LEU 105 -3.690 1.718 6.451 727 HG LEU 105 HG LEU 105 -1.694 2.007 5.066 728 HD11 LEU 105 HD11 LEU 105 -2.472 0.141 3.297 729 HD12 LEU 105 HD12 LEU 105 -3.796 0.031 4.457 730 HD13 LEU 105 HD13 LEU 105 -2.131 -0.205 4.992 731 HD21 LEU 105 HD21 LEU 105 -1.686 2.769 2.932 732 HD22 LEU 105 HD22 LEU 105 -3.148 3.588 3.480 733 HD23 LEU 105 HD23 LEU 105 -3.270 2.086 2.564 734 H ARG 106 H ARG 106 -6.006 3.328 7.069 735 HA ARG 106 HA ARG 106 -6.848 1.150 8.622 736 HB2 ARG 106 HB2 ARG 106 -8.030 2.840 9.992 737 HB3 ARG 106 HB1 ARG 106 -6.369 3.295 9.634 738 HG2 ARG 106 HG2 ARG 106 -7.229 5.267 9.055 739 HG3 ARG 106 HG1 ARG 106 -7.734 4.456 7.572 740 HD2 ARG 106 HD2 ARG 106 -9.611 5.641 8.517 741 HD3 ARG 106 HD1 ARG 106 -9.888 3.905 8.646 742 HE ARG 106 HE ARG 106 -8.783 4.521 11.031 743 HH11 ARG 106 HH11 ARG 106 -11.461 5.858 9.238 744 HH12 ARG 106 HH12 ARG 106 -12.328 6.346 10.654 745 HH21 ARG 106 HH21 ARG 106 -9.923 5.161 12.896 746 HH22 ARG 106 HH22 ARG 106 -11.455 5.951 12.732 747 H GLU 107 H GLU 107 -8.505 3.060 6.200 748 HA GLU 107 HA GLU 107 -11.146 2.346 6.783 749 HB2 GLU 107 HB2 GLU 107 -9.714 3.583 4.582 750 HB3 GLU 107 HB1 GLU 107 -11.015 2.553 4.000 751 HG2 GLU 107 HG2 GLU 107 -12.653 3.824 4.993 752 HG3 GLU 107 HG1 GLU 107 -11.552 4.492 6.198 753 H ALA 108 H ALA 108 -8.976 0.907 4.337 754 HA ALA 108 HA ALA 108 -10.721 -1.302 3.855 755 HB1 ALA 108 HB1 ALA 108 -8.402 -2.162 2.823 756 HB2 ALA 108 HB2 ALA 108 -8.052 -0.438 2.921 757 HB3 ALA 108 HB3 ALA 108 -9.449 -1.004 2.005 758 H ILE 109 H ILE 109 -7.726 -0.863 5.692 759 HA ILE 109 HA ILE 109 -7.312 -3.516 6.456 760 HB ILE 109 HB ILE 109 -6.581 -0.925 7.817 761 HG12 ILE 109 HG12 ILE 109 -4.890 -2.948 6.336 762 HG13 ILE 109 HG11 ILE 109 -5.532 -1.473 5.621 763 HG21 ILE 109 HG21 ILE 109 -5.006 -2.255 9.191 764 HG22 ILE 109 HG22 ILE 109 -5.773 -3.724 8.589 765 HG23 ILE 109 HG23 ILE 109 -6.700 -2.581 9.560 766 HD11 ILE 109 HD11 ILE 109 -4.080 -0.950 8.068 767 HD12 ILE 109 HD12 ILE 109 -3.888 -0.248 6.462 768 HD13 ILE 109 HD13 ILE 109 -3.091 -1.770 6.860 769 H GLN 110 H GLN 110 -8.906 -0.910 8.314 770 HA GLN 110 HA GLN 110 -9.760 -2.606 10.403 771 HB2 GLN 110 HB2 GLN 110 -9.617 0.013 10.258 772 HB3 GLN 110 HB1 GLN 110 -11.274 -0.123 9.687 773 HG2 GLN 110 HG2 GLN 110 -10.979 -1.735 12.012 774 HG3 GLN 110 HG1 GLN 110 -10.318 -0.136 12.344 775 HE21 GLN 110 HE21 GLN 110 -11.672 1.531 12.655 776 HE22 GLN 110 HE22 GLN 110 -13.394 1.432 12.546 777 H GLU 111 H GLU 111 -11.193 -1.694 7.337 778 HA GLU 111 HA GLU 111 -13.811 -2.553 7.776 779 HB2 GLU 111 HB2 GLU 111 -12.096 -2.076 5.426 780 HB3 GLU 111 HB1 GLU 111 -13.396 -3.228 5.156 781 HG2 GLU 111 HG2 GLU 111 -14.058 -0.662 6.488 782 HG3 GLU 111 HG1 GLU 111 -13.714 -0.644 4.759 783 H TYR 112 H TYR 112 -10.920 -4.332 6.852 784 HA TYR 112 HA TYR 112 -12.265 -6.834 6.543 785 HB2 TYR 112 HB2 TYR 112 -9.917 -6.045 5.641 786 HB3 TYR 112 HB1 TYR 112 -9.344 -6.651 7.191 787 HD1 TYR 112 HD1 TYR 112 -12.012 -8.004 4.971 788 HD2 TYR 112 HD2 TYR 112 -8.156 -8.587 6.667 789 HE1 TYR 112 HE1 TYR 112 -11.959 -10.282 4.050 790 HE2 TYR 112 HE2 TYR 112 -8.090 -10.868 5.750 791 HH TYR 112 HH TYR 112 -9.860 -12.619 5.044 792 H ASP 113 H ASP 113 -10.672 -5.123 9.160 793 HA ASP 113 HA ASP 113 -10.475 -7.243 10.992 794 HB2 ASP 113 HB2 ASP 113 -10.503 -4.283 11.150 795 HB3 ASP 113 HB1 ASP 113 -10.924 -5.136 12.631 796 H ASN 114 H ASN 114 -13.145 -5.225 9.994 797 HA ASN 114 HA ASN 114 -14.904 -6.149 12.089 798 HB2 ASN 114 HB2 ASN 114 -15.545 -4.581 9.581 799 HB3 ASN 114 HB1 ASN 114 -16.610 -4.809 10.964 800 HD21 ASN 114 HD21 ASN 114 -16.590 -2.414 10.801 801 HD22 ASN 114 HD22 ASN 114 -15.364 -1.563 11.672 802 H ILE 115 H ILE 115 -14.250 -6.893 8.716 803 HA ILE 115 HA ILE 115 -16.519 -8.663 8.489 804 HB ILE 115 HB ILE 115 -14.199 -8.406 6.583 805 HG12 ILE 115 HG12 ILE 115 -16.771 -7.011 6.064 806 HG13 ILE 115 HG11 ILE 115 -15.707 -6.291 7.265 807 HG21 ILE 115 HG21 ILE 115 -15.295 -10.209 5.777 808 HG22 ILE 115 HG22 ILE 115 -16.320 -8.968 5.059 809 HG23 ILE 115 HG23 ILE 115 -16.816 -9.766 6.551 810 HD11 ILE 115 HD11 ILE 115 -13.910 -6.208 5.611 811 HD12 ILE 115 HD12 ILE 115 -15.337 -5.318 5.080 812 HD13 ILE 115 HD13 ILE 115 -14.992 -6.913 4.411 813 H ALA 116 H ALA 116 -13.058 -9.234 7.948 814 HA ALA 116 HA ALA 116 -11.733 -11.052 8.302 815 HB1 ALA 116 HB1 ALA 116 -13.512 -11.190 10.724 816 HB2 ALA 116 HB2 ALA 116 -11.901 -10.480 10.595 817 HB3 ALA 116 HB3 ALA 116 -12.105 -12.228 10.494 818 H LYS 117 H LYS 117 -14.039 -11.453 6.592 819 HA LYS 117 HA LYS 117 -14.024 -14.335 6.581 820 HB2 LYS 117 HB2 LYS 117 -16.364 -14.689 6.747 821 HB3 LYS 117 HB1 LYS 117 -15.919 -13.667 8.106 822 HG2 LYS 117 HG2 LYS 117 -17.823 -12.628 7.386 823 HG3 LYS 117 HG1 LYS 117 -16.599 -11.731 6.487 824 HD2 LYS 117 HD2 LYS 117 -17.277 -12.548 4.498 825 HD3 LYS 117 HD1 LYS 117 -17.609 -14.152 5.156 826 HE2 LYS 117 HE2 LYS 117 -19.774 -13.688 5.508 827 HE3 LYS 117 HE1 LYS 117 -19.425 -12.071 6.118 828 HZ1 LYS 117 HZ1 LYS 117 -20.630 -12.554 3.789 829 HZ2 LYS 117 HZ2 LYS 117 -19.025 -12.442 3.270 830 HZ3 LYS 117 HZ3 LYS 117 -19.734 -11.153 4.106 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -19.346 8.854 2.461 2 H2 MET 1 HT2 MET 1 -18.487 8.186 1.134 3 H3 MET 1 HT3 MET 1 -17.658 8.586 2.582 4 HA MET 1 HA MET 1 -19.169 6.962 3.706 5 HB2 MET 1 HB2 MET 1 -20.446 6.989 1.325 6 HB3 MET 1 HB1 MET 1 -19.388 5.608 1.078 7 HG2 MET 1 HG2 MET 1 -20.853 4.357 2.158 8 HG3 MET 1 HG1 MET 1 -20.484 5.263 3.625 9 HE1 MET 1 HE1 MET 1 -23.926 6.295 0.729 10 HE2 MET 1 HE2 MET 1 -22.718 5.041 0.452 11 HE3 MET 1 HE3 MET 1 -22.255 6.740 0.384 12 H ASP 2 H ASP 2 -17.547 5.955 4.685 13 HA ASP 2 HA ASP 2 -15.226 5.080 3.158 14 HB2 ASP 2 HB2 ASP 2 -15.753 5.130 6.136 15 HB3 ASP 2 HB1 ASP 2 -14.240 4.618 5.396 16 H ARG 3 H ARG 3 -16.519 3.402 2.062 17 HA ARG 3 HA ARG 3 -16.310 0.897 3.517 18 HB2 ARG 3 HB2 ARG 3 -18.801 2.184 3.203 19 HB3 ARG 3 HB1 ARG 3 -18.794 0.845 2.063 20 HG2 ARG 3 HG2 ARG 3 -17.775 0.076 4.667 21 HG3 ARG 3 HG1 ARG 3 -19.415 0.720 4.747 22 HD2 ARG 3 HD2 ARG 3 -20.234 -1.175 3.926 23 HD3 ARG 3 HD1 ARG 3 -19.205 -1.035 2.501 24 HE ARG 3 HE ARG 3 -17.840 -2.052 4.816 25 HH11 ARG 3 HH11 ARG 3 -19.807 -2.891 2.058 26 HH12 ARG 3 HH12 ARG 3 -19.254 -4.532 2.006 27 HH21 ARG 3 HH21 ARG 3 -17.112 -4.210 4.747 28 HH22 ARG 3 HH22 ARG 3 -17.725 -5.280 3.532 29 H LYS 4 H LYS 4 -17.243 2.462 0.466 30 HA LYS 4 HA LYS 4 -16.913 0.240 -1.199 31 HB2 LYS 4 HB2 LYS 4 -16.660 3.197 -1.739 32 HB3 LYS 4 HB1 LYS 4 -16.534 1.988 -3.009 33 HG2 LYS 4 HG2 LYS 4 -18.923 2.230 -1.201 34 HG3 LYS 4 HG1 LYS 4 -18.783 3.068 -2.749 35 HD2 LYS 4 HD2 LYS 4 -18.129 0.481 -3.400 36 HD3 LYS 4 HD1 LYS 4 -19.379 0.265 -2.173 37 HE2 LYS 4 HE2 LYS 4 -20.840 1.799 -3.443 38 HE3 LYS 4 HE1 LYS 4 -19.599 1.913 -4.690 39 HZ1 LYS 4 HZ1 LYS 4 -20.189 -0.801 -4.128 40 HZ2 LYS 4 HZ2 LYS 4 -20.317 0.037 -5.591 41 HZ3 LYS 4 HZ3 LYS 4 -21.613 0.033 -4.504 42 H VAL 5 H VAL 5 -14.576 2.521 0.079 43 HA VAL 5 HA VAL 5 -12.404 2.036 -1.572 44 HB VAL 5 HB VAL 5 -12.253 2.384 1.427 45 HG11 VAL 5 HG11 VAL 5 -10.152 1.703 0.370 46 HG12 VAL 5 HG12 VAL 5 -10.065 3.356 0.980 47 HG13 VAL 5 HG13 VAL 5 -10.276 3.063 -0.747 48 HG21 VAL 5 HG21 VAL 5 -11.962 4.824 0.815 49 HG22 VAL 5 HG22 VAL 5 -13.591 4.169 0.654 50 HG23 VAL 5 HG23 VAL 5 -12.588 4.401 -0.778 51 H ALA 6 H ALA 6 -13.662 0.155 1.117 52 HA ALA 6 HA ALA 6 -11.540 -1.752 1.143 53 HB1 ALA 6 HB1 ALA 6 -12.656 -1.623 3.171 54 HB2 ALA 6 HB2 ALA 6 -13.314 -3.100 2.465 55 HB3 ALA 6 HB3 ALA 6 -14.247 -1.604 2.408 56 H ARG 7 H ARG 7 -14.694 -1.535 -0.404 57 HA ARG 7 HA ARG 7 -14.778 -4.208 -1.347 58 HB2 ARG 7 HB2 ARG 7 -16.144 -1.737 -2.430 59 HB3 ARG 7 HB1 ARG 7 -16.547 -3.393 -2.864 60 HG2 ARG 7 HG2 ARG 7 -17.546 -3.827 -0.846 61 HG3 ARG 7 HG1 ARG 7 -16.609 -2.598 0.004 62 HD2 ARG 7 HD2 ARG 7 -18.280 -1.157 -0.237 63 HD3 ARG 7 HD1 ARG 7 -18.150 -1.292 -1.989 64 HE ARG 7 HE ARG 7 -20.138 -2.486 -0.303 65 HH11 ARG 7 HH11 ARG 7 -18.436 -2.778 -3.336 66 HH12 ARG 7 HH12 ARG 7 -19.688 -3.704 -4.093 67 HH21 ARG 7 HH21 ARG 7 -21.787 -3.705 -1.296 68 HH22 ARG 7 HH22 ARG 7 -21.591 -4.230 -2.935 69 H GLU 8 H GLU 8 -13.538 -1.206 -2.704 70 HA GLU 8 HA GLU 8 -12.949 -2.313 -5.265 71 HB2 GLU 8 HB2 GLU 8 -12.004 0.186 -3.860 72 HB3 GLU 8 HB1 GLU 8 -11.514 -0.236 -5.495 73 HG2 GLU 8 HG2 GLU 8 -14.368 0.139 -4.621 74 HG3 GLU 8 HG1 GLU 8 -13.382 1.388 -5.381 75 H PHE 9 H PHE 9 -10.963 -1.538 -2.419 76 HA PHE 9 HA PHE 9 -8.530 -2.479 -3.469 77 HB2 PHE 9 HB2 PHE 9 -8.824 -1.044 -1.411 78 HB3 PHE 9 HB1 PHE 9 -9.331 -2.494 -0.553 79 HD1 PHE 9 HD1 PHE 9 -6.519 -1.277 -2.680 80 HD2 PHE 9 HD2 PHE 9 -7.747 -3.676 0.613 81 HE1 PHE 9 HE1 PHE 9 -4.165 -1.803 -2.192 82 HE2 PHE 9 HE2 PHE 9 -5.396 -4.207 1.108 83 HZ PHE 9 HZ PHE 9 -3.602 -3.269 -0.295 84 H ARG 10 H ARG 10 -11.116 -4.073 -1.680 85 HA ARG 10 HA ARG 10 -9.746 -6.566 -1.422 86 HB2 ARG 10 HB2 ARG 10 -12.615 -5.727 -1.056 87 HB3 ARG 10 HB1 ARG 10 -12.115 -7.406 -0.906 88 HG2 ARG 10 HG2 ARG 10 -10.576 -6.792 0.888 89 HG3 ARG 10 HG1 ARG 10 -11.081 -5.107 0.741 90 HD2 ARG 10 HD2 ARG 10 -12.362 -5.901 2.515 91 HD3 ARG 10 HD1 ARG 10 -13.458 -6.003 1.138 92 HE ARG 10 HE ARG 10 -11.971 -8.417 1.675 93 HH11 ARG 10 HH11 ARG 10 -14.889 -6.616 2.329 94 HH12 ARG 10 HH12 ARG 10 -15.794 -8.014 2.797 95 HH21 ARG 10 HH21 ARG 10 -13.160 -10.256 2.293 96 HH22 ARG 10 HH22 ARG 10 -14.814 -10.080 2.779 97 H HIS 11 H HIS 11 -12.298 -5.345 -3.582 98 HA HIS 11 HA HIS 11 -12.642 -7.722 -5.042 99 HB2 HIS 11 HB2 HIS 11 -14.201 -5.773 -5.088 100 HB3 HIS 11 HB1 HIS 11 -13.018 -4.894 -6.050 101 HD1 HIS 11 HD1 HIS 11 -15.308 -4.932 -7.644 102 HD2 HIS 11 HD2 HIS 11 -13.061 -8.414 -7.340 103 HE1 HIS 11 HE1 HIS 11 -15.963 -6.330 -9.629 104 HE2 HIS 11 HE2 HIS 11 -14.653 -8.468 -9.377 105 H LYS 12 H LYS 12 -10.499 -4.951 -5.556 106 HA LYS 12 HA LYS 12 -9.445 -5.735 -8.031 107 HB2 LYS 12 HB2 LYS 12 -8.673 -3.878 -5.873 108 HB3 LYS 12 HB1 LYS 12 -7.340 -4.453 -6.866 109 HG2 LYS 12 HG2 LYS 12 -9.839 -3.145 -7.922 110 HG3 LYS 12 HG1 LYS 12 -8.293 -2.332 -7.667 111 HD2 LYS 12 HD2 LYS 12 -7.529 -4.468 -9.164 112 HD3 LYS 12 HD1 LYS 12 -9.142 -4.158 -9.809 113 HE2 LYS 12 HE2 LYS 12 -8.236 -2.559 -11.062 114 HE3 LYS 12 HE1 LYS 12 -7.974 -1.642 -9.580 115 HZ1 LYS 12 HZ1 LYS 12 -5.926 -1.837 -10.800 116 HZ2 LYS 12 HZ2 LYS 12 -6.054 -3.523 -10.844 117 HZ3 LYS 12 HZ3 LYS 12 -5.802 -2.733 -9.369 118 H VAL 13 H VAL 13 -8.068 -6.186 -4.773 119 HA VAL 13 HA VAL 13 -5.889 -7.749 -5.466 120 HB VAL 13 HB VAL 13 -7.553 -8.028 -2.956 121 HG11 VAL 13 HG11 VAL 13 -5.651 -8.990 -1.927 122 HG12 VAL 13 HG12 VAL 13 -4.618 -8.595 -3.302 123 HG13 VAL 13 HG13 VAL 13 -5.860 -9.835 -3.461 124 HG21 VAL 13 HG21 VAL 13 -6.371 -5.737 -3.824 125 HG22 VAL 13 HG22 VAL 13 -5.076 -6.458 -2.868 126 HG23 VAL 13 HG23 VAL 13 -6.648 -6.145 -2.130 127 H ASP 14 H ASP 14 -9.244 -8.672 -4.955 128 HA ASP 14 HA ASP 14 -8.773 -11.483 -5.097 129 HB2 ASP 14 HB2 ASP 14 -10.813 -10.149 -4.122 130 HB3 ASP 14 HB1 ASP 14 -11.423 -10.260 -5.771 131 H PHE 15 H PHE 15 -9.328 -8.958 -7.434 132 HA PHE 15 HA PHE 15 -10.109 -10.636 -9.591 133 HB2 PHE 15 HB2 PHE 15 -10.433 -8.107 -9.391 134 HB3 PHE 15 HB1 PHE 15 -8.744 -7.960 -9.866 135 HD1 PHE 15 HD1 PHE 15 -11.814 -9.763 -10.996 136 HD2 PHE 15 HD2 PHE 15 -8.333 -7.570 -12.083 137 HE1 PHE 15 HE1 PHE 15 -12.473 -9.898 -13.362 138 HE2 PHE 15 HE2 PHE 15 -8.986 -7.699 -14.452 139 HZ PHE 15 HZ PHE 15 -11.059 -8.864 -15.094 140 H LEU 16 H LEU 16 -7.060 -9.556 -8.298 141 HA LEU 16 HA LEU 16 -5.562 -10.664 -10.528 142 HB2 LEU 16 HB2 LEU 16 -4.224 -9.705 -8.052 143 HB3 LEU 16 HB1 LEU 16 -3.731 -9.535 -9.726 144 HG LEU 16 HG LEU 16 -6.078 -8.021 -8.604 145 HD11 LEU 16 HD11 LEU 16 -3.265 -6.973 -8.796 146 HD12 LEU 16 HD12 LEU 16 -3.969 -7.590 -7.302 147 HD13 LEU 16 HD13 LEU 16 -4.675 -6.182 -8.092 148 HD21 LEU 16 HD21 LEU 16 -6.152 -7.909 -10.918 149 HD22 LEU 16 HD22 LEU 16 -4.396 -7.883 -11.076 150 HD23 LEU 16 HD23 LEU 16 -5.250 -6.456 -10.488 151 H ILE 17 H ILE 17 -6.044 -11.269 -7.086 152 HA ILE 17 HA ILE 17 -4.474 -13.718 -7.231 153 HB ILE 17 HB ILE 17 -5.769 -12.294 -4.908 154 HG12 ILE 17 HG12 ILE 17 -3.219 -12.364 -4.264 155 HG13 ILE 17 HG11 ILE 17 -3.006 -12.544 -6.001 156 HG21 ILE 17 HG21 ILE 17 -3.992 -14.193 -3.914 157 HG22 ILE 17 HG22 ILE 17 -4.934 -15.047 -5.133 158 HG23 ILE 17 HG23 ILE 17 -5.751 -14.224 -3.802 159 HD11 ILE 17 HD11 ILE 17 -4.170 -10.242 -4.485 160 HD12 ILE 17 HD12 ILE 17 -4.457 -10.458 -6.211 161 HD13 ILE 17 HD13 ILE 17 -2.812 -10.257 -5.609 162 H GLU 18 H GLU 18 -7.632 -12.880 -5.855 163 HA GLU 18 HA GLU 18 -9.606 -13.974 -5.823 164 HB2 GLU 18 HB2 GLU 18 -10.254 -14.649 -7.846 165 HB3 GLU 18 HB1 GLU 18 -8.602 -14.374 -8.368 166 HG2 GLU 18 HG2 GLU 18 -8.099 -16.735 -7.744 167 HG3 GLU 18 HG1 GLU 18 -9.824 -16.966 -7.467 168 H ASN 19 H ASN 19 -6.843 -15.184 -4.992 169 HA ASN 19 HA ASN 19 -7.684 -17.884 -4.306 170 HB2 ASN 19 HB2 ASN 19 -5.259 -16.939 -5.025 171 HB3 ASN 19 HB1 ASN 19 -5.106 -16.851 -3.274 172 HD21 ASN 19 HD21 ASN 19 -6.259 -19.075 -5.784 173 HD22 ASN 19 HD22 ASN 19 -5.602 -20.501 -5.063 174 H ASP 20 H ASP 20 -6.429 -18.300 -1.890 175 HA ASP 20 HA ASP 20 -7.863 -16.484 -0.078 176 HB2 ASP 20 HB2 ASP 20 -7.804 -19.457 -0.205 177 HB3 ASP 20 HB1 ASP 20 -7.847 -18.712 1.389 178 H ALA 21 H ALA 21 -5.285 -18.950 -0.106 179 HA ALA 21 HA ALA 21 -4.031 -18.228 2.254 180 HB1 ALA 21 HB1 ALA 21 -3.517 -20.266 0.984 181 HB2 ALA 21 HB2 ALA 21 -2.063 -19.363 1.410 182 HB3 ALA 21 HB3 ALA 21 -2.700 -19.287 -0.233 183 H GLU 22 H GLU 22 -3.552 -16.952 -1.002 184 HA GLU 22 HA GLU 22 -1.377 -15.265 -0.371 185 HB2 GLU 22 HB2 GLU 22 -3.288 -15.532 -2.627 186 HB3 GLU 22 HB1 GLU 22 -2.449 -13.995 -2.477 187 HG2 GLU 22 HG2 GLU 22 -1.061 -15.176 -3.876 188 HG3 GLU 22 HG1 GLU 22 -0.321 -15.452 -2.300 189 H LYS 23 H LYS 23 -4.879 -14.695 -0.503 190 HA LYS 23 HA LYS 23 -4.781 -11.937 0.082 191 HB2 LYS 23 HB2 LYS 23 -6.764 -13.669 -0.598 192 HB3 LYS 23 HB1 LYS 23 -7.098 -13.457 1.115 193 HG2 LYS 23 HG2 LYS 23 -7.043 -10.970 0.690 194 HG3 LYS 23 HG1 LYS 23 -7.029 -11.357 -1.031 195 HD2 LYS 23 HD2 LYS 23 -9.136 -12.275 0.924 196 HD3 LYS 23 HD1 LYS 23 -9.298 -10.886 -0.153 197 HE2 LYS 23 HE2 LYS 23 -9.797 -12.177 -1.905 198 HE3 LYS 23 HE1 LYS 23 -8.475 -13.292 -1.560 199 HZ1 LYS 23 HZ1 LYS 23 -11.275 -13.454 -0.819 200 HZ2 LYS 23 HZ2 LYS 23 -10.181 -13.925 0.381 201 HZ3 LYS 23 HZ3 LYS 23 -10.163 -14.690 -1.128 202 H ASP 24 H ASP 24 -4.741 -14.801 2.097 203 HA ASP 24 HA ASP 24 -5.234 -13.562 4.573 204 HB2 ASP 24 HB2 ASP 24 -3.957 -16.114 3.696 205 HB3 ASP 24 HB1 ASP 24 -3.697 -15.588 5.357 206 H TYR 25 H TYR 25 -2.183 -14.361 2.925 207 HA TYR 25 HA TYR 25 -0.527 -13.131 4.870 208 HB2 TYR 25 HB2 TYR 25 0.327 -14.842 3.325 209 HB3 TYR 25 HB1 TYR 25 0.046 -13.763 1.964 210 HD1 TYR 25 HD2 TYR 25 1.783 -13.620 5.277 211 HD2 TYR 25 HD1 TYR 25 1.922 -12.736 1.116 212 HE1 TYR 25 HE2 TYR 25 4.047 -12.701 5.553 213 HE2 TYR 25 HE1 TYR 25 4.187 -11.816 1.382 214 HH TYR 25 HH TYR 25 6.139 -12.191 3.099 215 H LEU 26 H LEU 26 -1.763 -12.008 1.724 216 HA LEU 26 HA LEU 26 -0.475 -9.522 1.740 217 HB2 LEU 26 HB2 LEU 26 -1.672 -10.417 -0.225 218 HB3 LEU 26 HB1 LEU 26 -3.197 -10.211 0.613 219 HG LEU 26 HG LEU 26 -1.645 -7.740 0.467 220 HD11 LEU 26 HD11 LEU 26 -2.124 -7.375 -1.942 221 HD12 LEU 26 HD12 LEU 26 -2.513 -9.089 -2.081 222 HD13 LEU 26 HD13 LEU 26 -0.882 -8.589 -1.638 223 HD21 LEU 26 HD21 LEU 26 -4.175 -8.310 0.997 224 HD22 LEU 26 HD22 LEU 26 -4.329 -8.099 -0.747 225 HD23 LEU 26 HD23 LEU 26 -3.701 -6.786 0.246 226 H TYR 27 H TYR 27 -3.519 -10.614 3.137 227 HA TYR 27 HA TYR 27 -4.350 -8.117 4.160 228 HB2 TYR 27 HB2 TYR 27 -5.027 -10.959 4.648 229 HB3 TYR 27 HB1 TYR 27 -5.334 -9.870 5.995 230 HD1 TYR 27 HD1 TYR 27 -6.317 -7.455 4.856 231 HD2 TYR 27 HD2 TYR 27 -6.999 -11.449 3.556 232 HE1 TYR 27 HE1 TYR 27 -8.428 -6.749 3.815 233 HE2 TYR 27 HE2 TYR 27 -9.112 -10.753 2.509 234 HH TYR 27 HH TYR 27 -10.717 -8.094 3.197 235 H ASP 28 H ASP 28 -2.100 -10.583 5.240 236 HA ASP 28 HA ASP 28 -1.688 -9.493 7.849 237 HB2 ASP 28 HB2 ASP 28 -1.135 -11.883 6.822 238 HB3 ASP 28 HB1 ASP 28 0.417 -11.120 6.493 239 H VAL 29 H VAL 29 -0.258 -9.013 4.666 240 HA VAL 29 HA VAL 29 2.055 -7.625 5.504 241 HB VAL 29 HB VAL 29 0.529 -7.315 2.910 242 HG11 VAL 29 HG11 VAL 29 1.956 -5.513 2.880 243 HG12 VAL 29 HG12 VAL 29 2.983 -6.760 2.167 244 HG13 VAL 29 HG13 VAL 29 3.173 -6.322 3.866 245 HG21 VAL 29 HG21 VAL 29 2.474 -8.840 2.129 246 HG22 VAL 29 HG22 VAL 29 1.095 -9.562 2.956 247 HG23 VAL 29 HG23 VAL 29 2.596 -9.272 3.834 248 H LEU 30 H LEU 30 -1.068 -6.383 4.297 249 HA LEU 30 HA LEU 30 -0.510 -3.672 4.723 250 HB2 LEU 30 HB2 LEU 30 -3.119 -5.184 4.679 251 HB3 LEU 30 HB1 LEU 30 -3.031 -3.437 4.804 252 HG LEU 30 HG LEU 30 -1.442 -4.179 2.579 253 HD11 LEU 30 HD11 LEU 30 -3.612 -5.112 1.323 254 HD12 LEU 30 HD12 LEU 30 -3.870 -5.827 2.915 255 HD13 LEU 30 HD13 LEU 30 -2.381 -6.160 2.030 256 HD21 LEU 30 HD21 LEU 30 -2.700 -2.606 1.488 257 HD22 LEU 30 HD22 LEU 30 -3.000 -2.147 3.165 258 HD23 LEU 30 HD23 LEU 30 -4.199 -3.092 2.282 259 H ARG 31 H ARG 31 -1.865 -6.147 6.826 260 HA ARG 31 HA ARG 31 -2.663 -4.548 8.967 261 HB2 ARG 31 HB2 ARG 31 -3.227 -6.922 8.803 262 HB3 ARG 31 HB1 ARG 31 -1.537 -7.355 9.010 263 HG2 ARG 31 HG2 ARG 31 -1.857 -7.451 11.194 264 HG3 ARG 31 HG1 ARG 31 -2.210 -5.721 11.198 265 HD2 ARG 31 HD2 ARG 31 -4.531 -7.013 10.262 266 HD3 ARG 31 HD1 ARG 31 -3.972 -7.935 11.657 267 HE ARG 31 HE ARG 31 -4.034 -5.090 12.085 268 HH11 ARG 31 HH11 ARG 31 -5.874 -8.054 12.220 269 HH12 ARG 31 HH12 ARG 31 -7.000 -7.447 13.387 270 HH21 ARG 31 HH21 ARG 31 -5.513 -4.292 13.619 271 HH22 ARG 31 HH22 ARG 31 -6.796 -5.311 14.181 272 H MET 32 H MET 32 0.498 -5.903 8.158 273 HA MET 32 HA MET 32 1.765 -4.993 10.556 274 HB2 MET 32 HB2 MET 32 2.542 -6.419 8.123 275 HB3 MET 32 HB1 MET 32 3.783 -5.308 8.686 276 HG2 MET 32 HG2 MET 32 3.268 -6.452 11.003 277 HG3 MET 32 HG1 MET 32 2.704 -7.759 9.964 278 HE1 MET 32 HE1 MET 32 6.596 -5.924 10.775 279 HE2 MET 32 HE2 MET 32 5.225 -5.087 10.047 280 HE3 MET 32 HE3 MET 32 6.512 -5.726 9.025 281 H TYR 33 H TYR 33 1.566 -3.820 7.223 282 HA TYR 33 HA TYR 33 3.270 -1.607 7.503 283 HB2 TYR 33 HB2 TYR 33 2.614 -2.409 5.312 284 HB3 TYR 33 HB1 TYR 33 0.923 -2.053 5.648 285 HD1 TYR 33 HD2 TYR 33 3.960 0.026 6.244 286 HD2 TYR 33 HD1 TYR 33 0.315 -0.429 4.097 287 HE1 TYR 33 HE2 TYR 33 4.249 2.273 5.288 288 HE2 TYR 33 HE1 TYR 33 0.595 1.816 3.134 289 HH TYR 33 HH TYR 33 2.470 3.398 2.665 290 H HIS 34 H HIS 34 0.116 -2.170 8.717 291 HA HIS 34 HA HIS 34 -0.579 0.632 8.931 292 HB2 HIS 34 HB2 HIS 34 -2.325 -1.060 8.546 293 HB3 HIS 34 HB1 HIS 34 -1.933 -1.815 10.088 294 HD1 HIS 34 HD1 HIS 34 -2.551 -0.439 12.255 295 HD2 HIS 34 HD2 HIS 34 -4.011 1.114 8.688 296 HE1 HIS 34 HE1 HIS 34 -4.319 1.220 12.919 297 HE2 HIS 34 HE2 HIS 34 -5.134 2.206 10.748 298 H GLN 35 H GLN 35 0.500 -1.967 11.078 299 HA GLN 35 HA GLN 35 0.345 -0.340 13.433 300 HB2 GLN 35 HB2 GLN 35 0.388 -3.020 13.004 301 HB3 GLN 35 HB1 GLN 35 2.046 -2.739 13.518 302 HG2 GLN 35 HG2 GLN 35 1.035 -3.164 15.520 303 HG3 GLN 35 HG1 GLN 35 0.912 -1.407 15.455 304 HE21 GLN 35 HE21 GLN 35 -0.814 -4.418 15.134 305 HE22 GLN 35 HE22 GLN 35 -2.402 -3.754 15.282 306 H THR 36 H THR 36 3.134 -1.887 11.859 307 HA THR 36 HA THR 36 4.982 -0.209 13.263 308 HB THR 36 HB THR 36 5.767 -2.380 12.801 309 HG1 THR 36 HG1 THR 36 7.246 -0.589 12.300 310 HG21 THR 36 HG21 THR 36 6.073 -3.128 10.381 311 HG22 THR 36 HG22 THR 36 4.854 -1.914 9.991 312 HG23 THR 36 HG23 THR 36 4.460 -3.240 11.085 313 H MET 37 H MET 37 3.451 -0.112 10.133 314 HA MET 37 HA MET 37 3.390 1.521 8.542 315 HB2 MET 37 HB2 MET 37 4.154 2.901 10.926 316 HB3 MET 37 HB1 MET 37 5.067 3.567 9.581 317 HG2 MET 37 HG2 MET 37 3.204 4.883 9.537 318 HG3 MET 37 HG1 MET 37 2.742 3.616 8.402 319 HE1 MET 37 HE1 MET 37 -0.468 2.547 9.482 320 HE2 MET 37 HE2 MET 37 0.735 2.926 8.250 321 HE3 MET 37 HE3 MET 37 -0.220 4.219 8.976 322 H ASP 38 H ASP 38 5.265 -0.515 8.346 323 HA ASP 38 HA ASP 38 7.687 0.794 7.326 324 HB2 ASP 38 HB2 ASP 38 8.571 -1.571 7.215 325 HB3 ASP 38 HB1 ASP 38 8.211 -0.981 8.834 326 H VAL 39 H VAL 39 7.613 1.324 5.255 327 HA VAL 39 HA VAL 39 5.845 -0.013 3.410 328 HB VAL 39 HB VAL 39 7.908 2.108 2.804 329 HG11 VAL 39 HG11 VAL 39 7.309 1.415 0.727 330 HG12 VAL 39 HG12 VAL 39 5.967 2.519 1.023 331 HG13 VAL 39 HG13 VAL 39 5.751 0.786 1.263 332 HG21 VAL 39 HG21 VAL 39 6.166 2.673 4.588 333 HG22 VAL 39 HG22 VAL 39 4.985 2.605 3.280 334 HG23 VAL 39 HG23 VAL 39 6.307 3.770 3.215 335 H ALA 40 H ALA 40 9.178 -0.216 4.305 336 HA ALA 40 HA ALA 40 10.112 -1.401 1.877 337 HB1 ALA 40 HB1 ALA 40 12.069 -2.075 3.392 338 HB2 ALA 40 HB2 ALA 40 11.259 -1.124 4.637 339 HB3 ALA 40 HB3 ALA 40 11.781 -0.354 3.139 340 H VAL 41 H VAL 41 8.661 -2.540 4.828 341 HA VAL 41 HA VAL 41 9.342 -5.286 4.376 342 HB VAL 41 HB VAL 41 7.334 -4.087 6.287 343 HG11 VAL 41 HG11 VAL 41 6.644 -6.278 6.174 344 HG12 VAL 41 HG12 VAL 41 7.859 -6.377 7.448 345 HG13 VAL 41 HG13 VAL 41 8.260 -6.882 5.806 346 HG21 VAL 41 HG21 VAL 41 9.144 -4.648 7.965 347 HG22 VAL 41 HG22 VAL 41 9.482 -3.297 6.885 348 HG23 VAL 41 HG23 VAL 41 10.224 -4.869 6.589 349 H LEU 42 H LEU 42 6.450 -3.274 3.971 350 HA LEU 42 HA LEU 42 4.737 -5.355 3.164 351 HB2 LEU 42 HB2 LEU 42 3.175 -3.729 2.658 352 HB3 LEU 42 HB1 LEU 42 4.164 -2.943 3.871 353 HG LEU 42 HG LEU 42 5.436 -1.951 1.815 354 HD11 LEU 42 HD11 LEU 42 3.029 -3.173 0.614 355 HD12 LEU 42 HD12 LEU 42 4.610 -2.840 -0.094 356 HD13 LEU 42 HD13 LEU 42 3.432 -1.540 0.086 357 HD21 LEU 42 HD21 LEU 42 4.013 -0.759 3.510 358 HD22 LEU 42 HD22 LEU 42 2.652 -0.969 2.408 359 HD23 LEU 42 HD23 LEU 42 4.052 -0.019 1.909 360 H VAL 43 H VAL 43 6.893 -3.220 1.340 361 HA VAL 43 HA VAL 43 6.094 -3.998 -1.239 362 HB VAL 43 HB VAL 43 8.830 -3.102 -0.307 363 HG11 VAL 43 HG11 VAL 43 9.399 -3.840 -2.369 364 HG12 VAL 43 HG12 VAL 43 8.698 -2.300 -2.865 365 HG13 VAL 43 HG13 VAL 43 7.743 -3.778 -2.969 366 HG21 VAL 43 HG21 VAL 43 6.515 -1.675 -0.215 367 HG22 VAL 43 HG22 VAL 43 7.123 -1.257 -1.818 368 HG23 VAL 43 HG23 VAL 43 8.123 -0.972 -0.393 369 H GLY 44 H GLY 44 8.539 -5.322 0.960 370 HA2 GLY 44 HA2 GLY 44 9.624 -7.249 -0.764 371 HA3 GLY 44 HA1 GLY 44 9.612 -7.351 0.992 372 H ASP 45 H ASP 45 6.942 -7.521 1.555 373 HA ASP 45 HA ASP 45 6.394 -10.239 1.094 374 HB2 ASP 45 HB2 ASP 45 4.472 -8.062 1.946 375 HB3 ASP 45 HB1 ASP 45 4.222 -9.793 2.139 376 H LEU 46 H LEU 46 4.922 -7.307 -0.293 377 HA LEU 46 HA LEU 46 3.036 -8.462 -1.932 378 HB2 LEU 46 HB2 LEU 46 4.595 -5.950 -1.988 379 HB3 LEU 46 HB1 LEU 46 3.853 -6.422 -3.503 380 HG LEU 46 HG LEU 46 2.414 -5.953 -0.891 381 HD11 LEU 46 HD11 LEU 46 3.358 -4.068 -2.574 382 HD12 LEU 46 HD12 LEU 46 1.889 -3.887 -1.616 383 HD13 LEU 46 HD13 LEU 46 1.785 -4.387 -3.303 384 HD21 LEU 46 HD21 LEU 46 0.574 -6.894 -1.735 385 HD22 LEU 46 HD22 LEU 46 1.639 -7.652 -2.917 386 HD23 LEU 46 HD23 LEU 46 0.811 -6.147 -3.314 387 H LYS 47 H LYS 47 6.499 -8.103 -2.469 388 HA LYS 47 HA LYS 47 6.501 -8.990 -5.165 389 HB2 LYS 47 HB2 LYS 47 8.547 -8.566 -3.048 390 HB3 LYS 47 HB1 LYS 47 8.985 -9.622 -4.382 391 HG2 LYS 47 HG2 LYS 47 9.318 -7.902 -5.739 392 HG3 LYS 47 HG1 LYS 47 7.745 -7.203 -5.345 393 HD2 LYS 47 HD2 LYS 47 8.602 -5.890 -3.663 394 HD3 LYS 47 HD1 LYS 47 9.963 -6.973 -3.365 395 HE2 LYS 47 HE2 LYS 47 10.783 -4.950 -4.377 396 HE3 LYS 47 HE1 LYS 47 10.933 -6.271 -5.535 397 HZ1 LYS 47 HZ1 LYS 47 9.128 -3.960 -5.575 398 HZ2 LYS 47 HZ2 LYS 47 8.602 -5.402 -6.286 399 HZ3 LYS 47 HZ3 LYS 47 10.016 -4.656 -6.837 400 H LEU 48 H LEU 48 7.191 -10.641 -2.087 401 HA LEU 48 HA LEU 48 7.761 -13.171 -3.045 402 HB2 LEU 48 HB2 LEU 48 6.433 -12.233 -0.518 403 HB3 LEU 48 HB1 LEU 48 6.690 -13.941 -0.826 404 HG LEU 48 HG LEU 48 9.018 -12.080 -1.023 405 HD11 LEU 48 HD11 LEU 48 8.266 -11.351 1.052 406 HD12 LEU 48 HD12 LEU 48 9.383 -12.655 1.455 407 HD13 LEU 48 HD13 LEU 48 7.645 -12.942 1.493 408 HD21 LEU 48 HD21 LEU 48 8.963 -14.812 0.187 409 HD22 LEU 48 HD22 LEU 48 10.282 -13.974 -0.631 410 HD23 LEU 48 HD23 LEU 48 8.931 -14.618 -1.565 411 H VAL 49 H VAL 49 4.724 -11.507 -2.870 412 HA VAL 49 HA VAL 49 3.239 -13.945 -3.542 413 HB VAL 49 HB VAL 49 2.182 -11.169 -2.973 414 HG11 VAL 49 HG11 VAL 49 0.112 -12.780 -2.480 415 HG12 VAL 49 HG12 VAL 49 0.920 -13.744 -3.717 416 HG13 VAL 49 HG13 VAL 49 0.423 -12.090 -4.074 417 HG21 VAL 49 HG21 VAL 49 2.250 -13.578 -1.159 418 HG22 VAL 49 HG22 VAL 49 1.573 -11.994 -0.781 419 HG23 VAL 49 HG23 VAL 49 3.309 -12.176 -1.027 420 H ILE 50 H ILE 50 4.399 -10.953 -4.855 421 HA ILE 50 HA ILE 50 2.944 -11.424 -7.355 422 HB ILE 50 HB ILE 50 4.438 -8.945 -6.495 423 HG12 ILE 50 HG12 ILE 50 1.458 -9.109 -6.716 424 HG13 ILE 50 HG11 ILE 50 2.244 -9.715 -5.261 425 HG21 ILE 50 HG21 ILE 50 2.785 -8.069 -8.372 426 HG22 ILE 50 HG22 ILE 50 2.969 -9.728 -8.946 427 HG23 ILE 50 HG23 ILE 50 4.387 -8.697 -8.751 428 HD11 ILE 50 HD11 ILE 50 3.339 -7.486 -5.030 429 HD12 ILE 50 HD12 ILE 50 1.586 -7.476 -4.856 430 HD13 ILE 50 HD13 ILE 50 2.326 -6.921 -6.357 431 H ASN 51 H ASN 51 5.374 -12.841 -6.413 432 HA ASN 51 HA ASN 51 7.725 -12.105 -7.607 433 HB2 ASN 51 HB2 ASN 51 6.662 -14.472 -6.492 434 HB3 ASN 51 HB1 ASN 51 7.324 -14.922 -8.061 435 HD21 ASN 51 HD21 ASN 51 8.208 -12.816 -5.341 436 HD22 ASN 51 HD22 ASN 51 9.854 -13.333 -5.257 437 H GLU 52 H GLU 52 4.823 -13.271 -9.132 438 HA GLU 52 HA GLU 52 6.169 -13.456 -11.727 439 HB2 GLU 52 HB2 GLU 52 3.308 -14.147 -11.038 440 HB3 GLU 52 HB1 GLU 52 4.159 -14.539 -12.527 441 HG2 GLU 52 HG2 GLU 52 4.583 -16.507 -11.593 442 HG3 GLU 52 HG1 GLU 52 5.761 -15.654 -10.599 443 HA PRO 53 HA PRO 53 4.696 -9.562 -13.147 444 HB2 PRO 53 HB2 PRO 53 4.155 -10.084 -15.759 445 HB3 PRO 53 HB1 PRO 53 5.791 -9.901 -15.116 446 HG2 PRO 53 HG2 PRO 53 4.249 -12.395 -15.684 447 HG3 PRO 53 HG1 PRO 53 5.947 -12.024 -16.032 448 HD2 PRO 53 HD2 PRO 53 5.222 -13.536 -13.925 449 HD3 PRO 53 HD1 PRO 53 6.616 -12.437 -13.859 450 H SER 54 H SER 54 2.682 -12.365 -13.453 451 HA SER 54 HA SER 54 0.361 -11.173 -14.499 452 HB2 SER 54 HB2 SER 54 1.053 -13.714 -13.895 453 HB3 SER 54 HB1 SER 54 0.000 -13.355 -12.528 454 HG SER 54 HG SER 54 -0.605 -13.410 -15.274 455 H ARG 55 H ARG 55 1.567 -11.457 -11.198 456 HA ARG 55 HA ARG 55 -0.823 -10.225 -10.107 457 HB2 ARG 55 HB2 ARG 55 1.716 -11.267 -8.871 458 HB3 ARG 55 HB1 ARG 55 0.503 -10.405 -7.935 459 HG2 ARG 55 HG2 ARG 55 -0.669 -12.264 -7.688 460 HG3 ARG 55 HG1 ARG 55 -0.792 -12.450 -9.439 461 HD2 ARG 55 HD2 ARG 55 1.811 -13.223 -8.826 462 HD3 ARG 55 HD1 ARG 55 0.829 -13.902 -7.530 463 HE ARG 55 HE ARG 55 0.846 -14.693 -10.295 464 HH11 ARG 55 HH11 ARG 55 -1.010 -14.650 -7.339 465 HH12 ARG 55 HH12 ARG 55 -1.990 -16.006 -7.790 466 HH21 ARG 55 HH21 ARG 55 -0.443 -16.475 -10.887 467 HH22 ARG 55 HH22 ARG 55 -1.668 -17.042 -9.802 468 H LEU 56 H LEU 56 1.422 -8.882 -11.859 469 HA LEU 56 HA LEU 56 2.743 -6.927 -10.444 470 HB2 LEU 56 HB2 LEU 56 1.739 -7.183 -13.217 471 HB3 LEU 56 HB1 LEU 56 2.177 -5.569 -12.690 472 HG LEU 56 HG LEU 56 4.088 -7.857 -12.348 473 HD11 LEU 56 HD11 LEU 56 4.907 -7.687 -14.491 474 HD12 LEU 56 HD12 LEU 56 4.209 -6.088 -14.747 475 HD13 LEU 56 HD13 LEU 56 3.175 -7.516 -14.768 476 HD21 LEU 56 HD21 LEU 56 4.233 -5.399 -11.373 477 HD22 LEU 56 HD22 LEU 56 4.864 -5.063 -12.986 478 HD23 LEU 56 HD23 LEU 56 5.659 -6.255 -11.958 479 HA PRO 57 HA PRO 57 -1.298 -4.052 -11.402 480 HB2 PRO 57 HB2 PRO 57 -3.342 -5.887 -10.525 481 HB3 PRO 57 HB1 PRO 57 -3.207 -5.040 -12.065 482 HG2 PRO 57 HG2 PRO 57 -2.432 -7.791 -11.364 483 HG3 PRO 57 HG1 PRO 57 -2.794 -7.094 -12.950 484 HD2 PRO 57 HD2 PRO 57 -0.298 -7.778 -12.234 485 HD3 PRO 57 HD1 PRO 57 -0.618 -6.371 -13.265 486 H LEU 58 H LEU 58 -0.762 -6.491 -8.907 487 HA LEU 58 HA LEU 58 -2.199 -5.388 -6.807 488 HB2 LEU 58 HB2 LEU 58 -0.269 -7.403 -7.119 489 HB3 LEU 58 HB1 LEU 58 0.350 -6.342 -5.870 490 HG LEU 58 HG LEU 58 -2.345 -7.702 -5.844 491 HD11 LEU 58 HD11 LEU 58 -1.489 -9.189 -4.265 492 HD12 LEU 58 HD12 LEU 58 -0.055 -8.203 -3.977 493 HD13 LEU 58 HD13 LEU 58 -0.225 -9.092 -5.490 494 HD21 LEU 58 HD21 LEU 58 -1.883 -5.357 -4.691 495 HD22 LEU 58 HD22 LEU 58 -1.171 -6.394 -3.454 496 HD23 LEU 58 HD23 LEU 58 -2.861 -6.606 -3.918 497 H PHE 59 H PHE 59 1.206 -4.753 -7.652 498 HA PHE 59 HA PHE 59 1.811 -2.896 -5.709 499 HB2 PHE 59 HB2 PHE 59 2.726 -2.781 -8.589 500 HB3 PHE 59 HB1 PHE 59 3.541 -2.063 -7.203 501 HD1 PHE 59 HD1 PHE 59 3.871 -3.942 -5.227 502 HD2 PHE 59 HD2 PHE 59 3.738 -4.646 -9.423 503 HE1 PHE 59 HE1 PHE 59 5.170 -6.009 -4.918 504 HE2 PHE 59 HE2 PHE 59 5.034 -6.715 -9.121 505 HZ PHE 59 HZ PHE 59 5.751 -7.398 -6.866 506 H ASP 60 H ASP 60 0.204 -2.358 -8.815 507 HA ASP 60 HA ASP 60 0.029 0.474 -8.512 508 HB2 ASP 60 HB2 ASP 60 -1.095 -1.554 -10.389 509 HB3 ASP 60 HB1 ASP 60 -1.893 0.013 -10.301 510 H ALA 61 H ALA 61 -1.884 -2.249 -7.551 511 HA ALA 61 HA ALA 61 -4.305 -0.891 -7.007 512 HB1 ALA 61 HB1 ALA 61 -4.930 -2.893 -5.805 513 HB2 ALA 61 HB2 ALA 61 -3.251 -3.431 -5.774 514 HB3 ALA 61 HB3 ALA 61 -4.114 -3.329 -7.307 515 H ILE 62 H ILE 62 -1.456 -1.642 -5.051 516 HA ILE 62 HA ILE 62 -2.570 -0.637 -2.618 517 HB ILE 62 HB ILE 62 0.381 -0.798 -2.946 518 HG12 ILE 62 HG12 ILE 62 -0.116 -2.785 -4.122 519 HG13 ILE 62 HG11 ILE 62 0.186 -3.304 -2.470 520 HG21 ILE 62 HG21 ILE 62 0.376 -1.362 -0.707 521 HG22 ILE 62 HG22 ILE 62 -1.260 -2.019 -0.767 522 HG23 ILE 62 HG23 ILE 62 -1.006 -0.273 -0.822 523 HD11 ILE 62 HD11 ILE 62 -1.707 -4.447 -2.693 524 HD12 ILE 62 HD12 ILE 62 -2.229 -3.497 -4.084 525 HD13 ILE 62 HD13 ILE 62 -2.509 -2.896 -2.450 526 H ARG 63 H ARG 63 -0.525 0.706 -5.145 527 HA ARG 63 HA ARG 63 0.576 2.901 -4.007 528 HB2 ARG 63 HB2 ARG 63 0.117 2.057 -6.599 529 HB3 ARG 63 HB1 ARG 63 -0.675 3.625 -6.537 530 HG2 ARG 63 HG2 ARG 63 1.265 4.747 -6.391 531 HG3 ARG 63 HG1 ARG 63 2.013 3.532 -5.354 532 HD2 ARG 63 HD2 ARG 63 3.197 3.527 -7.419 533 HD3 ARG 63 HD1 ARG 63 2.216 2.064 -7.373 534 HE ARG 63 HE ARG 63 1.114 2.815 -9.220 535 HH11 ARG 63 HH11 ARG 63 2.635 5.547 -7.667 536 HH12 ARG 63 HH12 ARG 63 2.196 6.661 -8.919 537 HH21 ARG 63 HH21 ARG 63 0.539 4.280 -10.868 538 HH22 ARG 63 HH22 ARG 63 1.007 5.941 -10.734 539 HA PRO 64 HA PRO 64 -3.605 5.499 -4.933 540 HB2 PRO 64 HB2 PRO 64 -5.320 3.201 -4.086 541 HB3 PRO 64 HB1 PRO 64 -5.683 4.523 -5.202 542 HG2 PRO 64 HG2 PRO 64 -5.037 2.097 -6.108 543 HG3 PRO 64 HG1 PRO 64 -4.492 3.564 -6.937 544 HD2 PRO 64 HD2 PRO 64 -2.949 1.646 -5.291 545 HD3 PRO 64 HD1 PRO 64 -2.403 2.710 -6.599 546 H LEU 65 H LEU 65 -3.916 2.918 -2.458 547 HA LEU 65 HA LEU 65 -4.753 4.803 -0.473 548 HB2 LEU 65 HB2 LEU 65 -4.260 2.740 1.072 549 HB3 LEU 65 HB1 LEU 65 -5.662 2.773 0.023 550 HG LEU 65 HG LEU 65 -3.201 1.548 -1.083 551 HD11 LEU 65 HD11 LEU 65 -4.923 -0.053 0.769 552 HD12 LEU 65 HD12 LEU 65 -3.484 0.787 1.350 553 HD13 LEU 65 HD13 LEU 65 -3.340 -0.449 0.101 554 HD21 LEU 65 HD21 LEU 65 -5.981 0.450 -1.125 555 HD22 LEU 65 HD22 LEU 65 -4.689 0.266 -2.311 556 HD23 LEU 65 HD23 LEU 65 -5.538 1.806 -2.162 557 H ILE 66 H ILE 66 -1.710 3.508 -1.493 558 HA ILE 66 HA ILE 66 -0.228 4.022 0.857 559 HB ILE 66 HB ILE 66 0.567 3.692 -2.028 560 HG12 ILE 66 HG12 ILE 66 1.089 2.024 0.442 561 HG13 ILE 66 HG11 ILE 66 -0.165 1.703 -0.751 562 HG21 ILE 66 HG21 ILE 66 2.929 3.618 -1.241 563 HG22 ILE 66 HG22 ILE 66 2.384 4.254 0.312 564 HG23 ILE 66 HG23 ILE 66 2.195 5.220 -1.152 565 HD11 ILE 66 HD11 ILE 66 2.679 1.896 -1.621 566 HD12 ILE 66 HD12 ILE 66 1.341 0.996 -2.336 567 HD13 ILE 66 HD13 ILE 66 2.090 0.425 -0.847 568 HA PRO 67 HA PRO 67 -0.088 8.490 0.978 569 HB2 PRO 67 HB2 PRO 67 2.660 7.955 1.999 570 HB3 PRO 67 HB1 PRO 67 1.380 8.965 2.681 571 HG2 PRO 67 HG2 PRO 67 1.942 6.592 3.745 572 HG3 PRO 67 HG1 PRO 67 0.264 7.155 3.608 573 HD2 PRO 67 HD2 PRO 67 1.727 5.128 1.977 574 HD3 PRO 67 HD1 PRO 67 0.024 5.162 2.476 575 H LEU 68 H LEU 68 0.492 9.989 -0.274 576 HA LEU 68 HA LEU 68 1.624 9.642 -2.728 577 HB2 LEU 68 HB2 LEU 68 0.843 11.792 -0.947 578 HB3 LEU 68 HB1 LEU 68 2.129 12.268 -2.038 579 HG LEU 68 HG LEU 68 -0.542 11.134 -2.832 580 HD11 LEU 68 HD11 LEU 68 0.498 13.876 -2.510 581 HD12 LEU 68 HD12 LEU 68 -1.149 13.261 -2.372 582 HD13 LEU 68 HD13 LEU 68 -0.452 13.566 -3.964 583 HD21 LEU 68 HD21 LEU 68 1.089 12.411 -4.890 584 HD22 LEU 68 HD22 LEU 68 0.179 10.901 -4.937 585 HD23 LEU 68 HD23 LEU 68 1.799 10.932 -4.241 586 H LYS 69 H LYS 69 3.209 10.535 0.306 587 HA LYS 69 HA LYS 69 5.763 11.031 -0.891 588 HB2 LYS 69 HB2 LYS 69 5.291 10.311 1.999 589 HB3 LYS 69 HB1 LYS 69 6.586 11.287 1.322 590 HG2 LYS 69 HG2 LYS 69 4.648 12.866 0.598 591 HG3 LYS 69 HG1 LYS 69 3.746 12.017 1.855 592 HD2 LYS 69 HD2 LYS 69 6.455 13.192 2.392 593 HD3 LYS 69 HD1 LYS 69 4.989 14.166 2.508 594 HE2 LYS 69 HE2 LYS 69 5.717 11.718 4.099 595 HE3 LYS 69 HE1 LYS 69 5.467 13.360 4.692 596 HZ1 LYS 69 HZ1 LYS 69 3.518 11.310 4.031 597 HZ2 LYS 69 HZ2 LYS 69 3.111 12.882 3.558 598 HZ3 LYS 69 HZ3 LYS 69 3.442 12.548 5.182 599 H HIS 70 H HIS 70 4.271 8.348 0.864 600 HA HIS 70 HA HIS 70 6.501 6.625 0.823 601 HB2 HIS 70 HB2 HIS 70 3.540 6.029 0.991 602 HB3 HIS 70 HB1 HIS 70 4.800 4.822 1.219 603 HD1 HIS 70 HD1 HIS 70 4.024 4.430 3.663 604 HD2 HIS 70 HD2 HIS 70 5.319 8.298 2.877 605 HE1 HIS 70 HE1 HIS 70 4.324 5.509 5.915 606 HE2 HIS 70 HE2 HIS 70 5.196 7.819 5.416 607 H GLN 71 H GLN 71 4.073 7.435 -1.533 608 HA GLN 71 HA GLN 71 4.347 5.211 -3.243 609 HB2 GLN 71 HB2 GLN 71 3.438 8.047 -3.648 610 HB3 GLN 71 HB1 GLN 71 3.588 6.953 -5.015 611 HG2 GLN 71 HG2 GLN 71 2.040 5.392 -3.886 612 HG3 GLN 71 HG1 GLN 71 1.830 6.582 -2.602 613 HE21 GLN 71 HE21 GLN 71 0.316 8.087 -2.840 614 HE22 GLN 71 HE22 GLN 71 -0.558 8.406 -4.294 615 H VAL 72 H VAL 72 6.017 8.321 -3.074 616 HA VAL 72 HA VAL 72 7.638 7.988 -5.358 617 HB VAL 72 HB VAL 72 8.525 9.484 -2.907 618 HG11 VAL 72 HG11 VAL 72 10.218 9.759 -4.385 619 HG12 VAL 72 HG12 VAL 72 9.168 11.042 -4.984 620 HG13 VAL 72 HG13 VAL 72 9.188 9.473 -5.788 621 HG21 VAL 72 HG21 VAL 72 7.301 11.455 -4.039 622 HG22 VAL 72 HG22 VAL 72 6.355 10.313 -3.084 623 HG23 VAL 72 HG23 VAL 72 6.354 10.204 -4.846 624 H GLU 73 H GLU 73 8.455 7.593 -1.898 625 HA GLU 73 HA GLU 73 10.971 6.427 -2.304 626 HB2 GLU 73 HB2 GLU 73 10.234 7.267 -0.115 627 HB3 GLU 73 HB1 GLU 73 9.028 5.992 -0.022 628 HG2 GLU 73 HG2 GLU 73 10.987 4.366 -0.200 629 HG3 GLU 73 HG1 GLU 73 12.008 5.760 0.152 630 H TYR 74 H TYR 74 7.746 5.085 -2.274 631 HA TYR 74 HA TYR 74 8.394 2.354 -2.217 632 HB2 TYR 74 HB2 TYR 74 6.102 3.058 -1.903 633 HB3 TYR 74 HB1 TYR 74 6.071 3.823 -3.487 634 HD1 TYR 74 HD1 TYR 74 5.941 0.637 -1.682 635 HD2 TYR 74 HD2 TYR 74 5.805 2.502 -5.503 636 HE1 TYR 74 HE1 TYR 74 5.074 -1.445 -2.661 637 HE2 TYR 74 HE2 TYR 74 4.936 0.426 -6.492 638 HH TYR 74 HH TYR 74 3.538 -1.897 -4.959 639 H ASP 75 H ASP 75 8.379 4.775 -4.736 640 HA ASP 75 HA ASP 75 8.745 2.955 -6.913 641 HB2 ASP 75 HB2 ASP 75 8.502 5.829 -6.545 642 HB3 ASP 75 HB1 ASP 75 9.758 5.431 -7.714 643 H GLN 76 H GLN 76 10.836 4.709 -4.710 644 HA GLN 76 HA GLN 76 13.258 4.363 -6.126 645 HB2 GLN 76 HB2 GLN 76 12.870 4.613 -3.137 646 HB3 GLN 76 HB1 GLN 76 14.357 4.916 -4.025 647 HG2 GLN 76 HG2 GLN 76 11.816 6.472 -4.426 648 HG3 GLN 76 HG1 GLN 76 13.114 6.958 -3.338 649 HE21 GLN 76 HE21 GLN 76 12.471 8.717 -5.196 650 HE22 GLN 76 HE22 GLN 76 13.643 8.771 -6.464 651 H LEU 77 H LEU 77 11.482 2.346 -3.877 652 HA LEU 77 HA LEU 77 13.601 0.413 -3.606 653 HB2 LEU 77 HB2 LEU 77 10.685 0.214 -2.850 654 HB3 LEU 77 HB1 LEU 77 11.947 -0.903 -2.364 655 HG LEU 77 HG LEU 77 12.376 1.938 -1.652 656 HD11 LEU 77 HD11 LEU 77 10.962 1.506 0.438 657 HD12 LEU 77 HD12 LEU 77 10.164 0.260 -0.523 658 HD13 LEU 77 HD13 LEU 77 10.122 1.943 -1.050 659 HD21 LEU 77 HD21 LEU 77 12.700 -0.654 -0.148 660 HD22 LEU 77 HD22 LEU 77 13.265 0.932 0.375 661 HD23 LEU 77 HD23 LEU 77 13.966 0.173 -1.054 662 H THR 78 H THR 78 10.671 0.771 -5.506 663 HA THR 78 HA THR 78 10.875 -1.879 -6.640 664 HB THR 78 HB THR 78 8.962 -1.122 -8.060 665 HG1 THR 78 HG1 THR 78 8.907 0.968 -8.283 666 HG21 THR 78 HG21 THR 78 8.935 -1.337 -5.179 667 HG22 THR 78 HG22 THR 78 7.800 -1.964 -6.374 668 HG23 THR 78 HG23 THR 78 7.633 -0.310 -5.783 669 HA PRO 79 HA PRO 79 13.432 -1.068 -10.128 670 HB2 PRO 79 HB2 PRO 79 12.025 -2.295 -12.155 671 HB3 PRO 79 HB1 PRO 79 13.055 -3.143 -10.999 672 HG2 PRO 79 HG2 PRO 79 10.086 -2.796 -10.992 673 HG3 PRO 79 HG1 PRO 79 11.048 -4.230 -10.591 674 HD2 PRO 79 HD2 PRO 79 9.973 -2.683 -8.681 675 HD3 PRO 79 HD1 PRO 79 11.564 -3.445 -8.470 676 H ARG 80 H ARG 80 13.682 0.324 -11.866 677 HA ARG 80 HA ARG 80 11.747 2.416 -12.079 678 HB2 ARG 80 HB2 ARG 80 14.454 1.873 -13.176 679 HB3 ARG 80 HB1 ARG 80 13.447 3.011 -14.062 680 HG2 ARG 80 HG2 ARG 80 14.396 4.500 -12.672 681 HG3 ARG 80 HG1 ARG 80 13.126 3.962 -11.571 682 HD2 ARG 80 HD2 ARG 80 14.573 2.682 -10.313 683 HD3 ARG 80 HD1 ARG 80 15.722 2.492 -11.638 684 HE ARG 80 HE ARG 80 15.840 5.137 -11.102 685 HH11 ARG 80 HH11 ARG 80 16.110 2.292 -9.098 686 HH12 ARG 80 HH12 ARG 80 17.179 3.044 -7.960 687 HH21 ARG 80 HH21 ARG 80 17.246 6.126 -9.607 688 HH22 ARG 80 HH22 ARG 80 17.823 5.219 -8.250 689 H1 ASP 100 H ASP 100 -6.354 12.271 0.820 690 HA ASP 100 HA ASP 100 -8.054 11.385 3.040 691 HB2 ASP 100 HB2 ASP 100 -8.777 11.045 0.423 692 HB3 ASP 100 HB1 ASP 100 -7.929 9.537 0.754 693 H ASP 101 H ASP 101 -5.242 11.789 3.044 694 HA ASP 101 HA ASP 101 -3.971 9.217 2.735 695 HB2 ASP 101 HB2 ASP 101 -3.111 11.915 2.946 696 HB3 ASP 101 HB1 ASP 101 -2.377 11.031 4.280 697 H ASP 102 H ASP 102 -3.184 7.895 4.377 698 HA ASP 102 HA ASP 102 -3.225 6.809 6.374 699 HB2 ASP 102 HB2 ASP 102 -3.206 9.685 7.167 700 HB3 ASP 102 HB1 ASP 102 -3.528 8.486 8.415 701 H ARG 103 H ARG 103 -5.554 6.627 5.046 702 HA ARG 103 HA ARG 103 -7.467 6.382 7.211 703 HB2 ARG 103 HB2 ARG 103 -7.731 8.685 6.080 704 HB3 ARG 103 HB1 ARG 103 -8.363 7.788 4.706 705 HG2 ARG 103 HG2 ARG 103 -10.331 8.139 5.725 706 HG3 ARG 103 HG1 ARG 103 -9.857 6.732 6.678 707 HD2 ARG 103 HD2 ARG 103 -8.648 8.953 7.902 708 HD3 ARG 103 HD1 ARG 103 -10.299 9.440 7.524 709 HE ARG 103 HE ARG 103 -10.333 6.890 8.705 710 HH11 ARG 103 HH11 ARG 103 -9.716 10.224 9.529 711 HH12 ARG 103 HH12 ARG 103 -10.192 10.034 11.183 712 HH21 ARG 103 HH21 ARG 103 -10.960 6.637 10.879 713 HH22 ARG 103 HH22 ARG 103 -10.898 7.998 11.950 714 H TYR 104 H TYR 104 -6.903 6.035 3.722 715 HA TYR 104 HA TYR 104 -8.864 4.141 3.169 716 HB2 TYR 104 HB2 TYR 104 -6.310 4.972 1.909 717 HB3 TYR 104 HB1 TYR 104 -6.945 3.401 1.426 718 HD1 TYR 104 HD2 TYR 104 -8.821 6.500 2.290 719 HD2 TYR 104 HD1 TYR 104 -7.695 3.752 -0.758 720 HE1 TYR 104 HE2 TYR 104 -10.364 7.608 0.727 721 HE2 TYR 104 HE1 TYR 104 -9.235 4.853 -2.327 722 HH TYR 104 HH TYR 104 -10.251 7.402 -2.430 723 H LEU 105 H LEU 105 -5.610 3.731 4.461 724 HA LEU 105 HA LEU 105 -5.423 0.946 4.260 725 HB2 LEU 105 HB2 LEU 105 -4.081 3.079 5.773 726 HB3 LEU 105 HB1 LEU 105 -4.034 1.508 6.550 727 HG LEU 105 HG LEU 105 -2.043 1.945 5.165 728 HD11 LEU 105 HD11 LEU 105 -2.376 -0.318 5.437 729 HD12 LEU 105 HD12 LEU 105 -2.357 -0.166 3.679 730 HD13 LEU 105 HD13 LEU 105 -3.891 -0.313 4.535 731 HD21 LEU 105 HD21 LEU 105 -4.082 2.105 2.958 732 HD22 LEU 105 HD22 LEU 105 -2.369 1.809 2.667 733 HD23 LEU 105 HD23 LEU 105 -2.887 3.314 3.426 734 H ARG 106 H ARG 106 -6.496 2.943 7.005 735 HA ARG 106 HA ARG 106 -7.211 0.790 8.672 736 HB2 ARG 106 HB2 ARG 106 -6.928 3.393 9.118 737 HB3 ARG 106 HB1 ARG 106 -8.669 3.382 8.875 738 HG2 ARG 106 HG2 ARG 106 -8.957 1.806 10.675 739 HG3 ARG 106 HG1 ARG 106 -7.208 1.664 10.870 740 HD2 ARG 106 HD2 ARG 106 -7.512 3.226 12.462 741 HD3 ARG 106 HD1 ARG 106 -7.513 4.338 11.095 742 HE ARG 106 HE ARG 106 -10.124 3.355 11.591 743 HH11 ARG 106 HH11 ARG 106 -7.750 5.595 12.826 744 HH12 ARG 106 HH12 ARG 106 -8.928 6.641 13.544 745 HH21 ARG 106 HH21 ARG 106 -11.675 4.730 12.534 746 HH22 ARG 106 HH22 ARG 106 -11.156 6.150 13.377 747 H GLU 107 H GLU 107 -8.933 2.494 6.143 748 HA GLU 107 HA GLU 107 -11.543 1.700 6.741 749 HB2 GLU 107 HB2 GLU 107 -10.123 2.797 4.439 750 HB3 GLU 107 HB1 GLU 107 -11.448 1.740 3.973 751 HG2 GLU 107 HG2 GLU 107 -13.046 3.108 4.878 752 HG3 GLU 107 HG1 GLU 107 -11.928 3.829 6.036 753 H ALA 108 H ALA 108 -9.296 0.202 4.404 754 HA ALA 108 HA ALA 108 -10.938 -2.106 4.060 755 HB1 ALA 108 HB1 ALA 108 -8.077 -2.304 3.368 756 HB2 ALA 108 HB2 ALA 108 -8.976 -1.005 2.586 757 HB3 ALA 108 HB3 ALA 108 -9.509 -2.675 2.407 758 H ILE 109 H ILE 109 -7.952 -1.435 5.842 759 HA ILE 109 HA ILE 109 -7.417 -3.999 6.782 760 HB ILE 109 HB ILE 109 -6.858 -1.295 7.999 761 HG12 ILE 109 HG12 ILE 109 -4.923 -3.261 6.784 762 HG13 ILE 109 HG11 ILE 109 -5.785 -2.077 5.807 763 HG21 ILE 109 HG21 ILE 109 -5.891 -3.993 8.936 764 HG22 ILE 109 HG22 ILE 109 -6.908 -2.861 9.830 765 HG23 ILE 109 HG23 ILE 109 -5.232 -2.445 9.467 766 HD11 ILE 109 HD11 ILE 109 -4.445 -0.942 8.140 767 HD12 ILE 109 HD12 ILE 109 -4.457 -0.410 6.458 768 HD13 ILE 109 HD13 ILE 109 -3.361 -1.692 6.970 769 H GLN 110 H GLN 110 -9.291 -1.404 8.358 770 HA GLN 110 HA GLN 110 -10.044 -2.943 10.597 771 HB2 GLN 110 HB2 GLN 110 -10.160 -0.397 10.304 772 HB3 GLN 110 HB1 GLN 110 -11.679 -0.680 9.465 773 HG2 GLN 110 HG2 GLN 110 -11.472 -2.011 12.061 774 HG3 GLN 110 HG1 GLN 110 -11.417 -0.250 12.134 775 HE21 GLN 110 HE21 GLN 110 -13.479 -2.037 13.093 776 HE22 GLN 110 HE22 GLN 110 -14.932 -1.598 12.269 777 H GLU 111 H GLU 111 -11.498 -2.472 7.428 778 HA GLU 111 HA GLU 111 -13.994 -3.606 7.866 779 HB2 GLU 111 HB2 GLU 111 -12.703 -2.643 5.677 780 HB3 GLU 111 HB1 GLU 111 -12.680 -4.366 5.330 781 HG2 GLU 111 HG2 GLU 111 -14.640 -3.778 4.336 782 HG3 GLU 111 HG1 GLU 111 -15.224 -4.200 5.945 783 H TYR 112 H TYR 112 -10.893 -5.130 7.197 784 HA TYR 112 HA TYR 112 -11.926 -7.790 7.132 785 HB2 TYR 112 HB2 TYR 112 -9.649 -6.826 6.221 786 HB3 TYR 112 HB1 TYR 112 -9.075 -7.189 7.846 787 HD1 TYR 112 HD1 TYR 112 -11.345 -9.005 5.491 788 HD2 TYR 112 HD2 TYR 112 -7.769 -9.090 7.797 789 HE1 TYR 112 HE1 TYR 112 -10.982 -11.347 4.833 790 HE2 TYR 112 HE2 TYR 112 -7.398 -11.433 7.145 791 HH TYR 112 HH TYR 112 -8.041 -12.969 5.346 792 H ASP 113 H ASP 113 -10.645 -5.646 9.594 793 HA ASP 113 HA ASP 113 -10.292 -7.523 11.652 794 HB2 ASP 113 HB2 ASP 113 -9.476 -5.190 11.770 795 HB3 ASP 113 HB1 ASP 113 -11.140 -4.624 11.887 796 H ASN 114 H ASN 114 -13.117 -5.955 10.346 797 HA ASN 114 HA ASN 114 -14.855 -6.815 12.483 798 HB2 ASN 114 HB2 ASN 114 -14.989 -4.847 10.517 799 HB3 ASN 114 HB1 ASN 114 -16.201 -6.027 10.026 800 HD21 ASN 114 HD21 ASN 114 -17.706 -4.296 10.473 801 HD22 ASN 114 HD22 ASN 114 -18.250 -4.041 12.093 802 H ILE 115 H ILE 115 -13.970 -7.873 9.253 803 HA ILE 115 HA ILE 115 -16.039 -9.804 8.975 804 HB ILE 115 HB ILE 115 -13.346 -9.634 7.613 805 HG12 ILE 115 HG12 ILE 115 -16.013 -8.954 6.404 806 HG13 ILE 115 HG11 ILE 115 -15.130 -7.764 7.354 807 HG21 ILE 115 HG21 ILE 115 -15.608 -11.533 7.343 808 HG22 ILE 115 HG22 ILE 115 -13.876 -11.794 7.138 809 HG23 ILE 115 HG23 ILE 115 -14.804 -11.000 5.866 810 HD11 ILE 115 HD11 ILE 115 -13.833 -9.180 5.062 811 HD12 ILE 115 HD12 ILE 115 -13.398 -7.645 5.812 812 HD13 ILE 115 HD13 ILE 115 -14.845 -7.758 4.812 813 H ALA 116 H ALA 116 -12.848 -9.832 10.408 814 HA ALA 116 HA ALA 116 -12.885 -12.713 10.784 815 HB1 ALA 116 HB1 ALA 116 -10.718 -12.148 10.409 816 HB2 ALA 116 HB2 ALA 116 -10.727 -11.978 12.164 817 HB3 ALA 116 HB3 ALA 116 -10.891 -10.552 11.138 818 H LYS 117 H LYS 117 -15.062 -11.863 12.011 819 HA LYS 117 HA LYS 117 -14.673 -11.063 14.722 820 HB2 LYS 117 HB2 LYS 117 -16.961 -11.853 13.018 821 HB3 LYS 117 HB1 LYS 117 -17.162 -12.109 14.746 822 HG2 LYS 117 HG2 LYS 117 -17.254 -9.900 15.204 823 HG3 LYS 117 HG1 LYS 117 -16.110 -9.476 13.929 824 HD2 LYS 117 HD2 LYS 117 -17.964 -8.654 12.929 825 HD3 LYS 117 HD1 LYS 117 -18.175 -10.332 12.432 826 HE2 LYS 117 HE2 LYS 117 -20.047 -10.529 13.622 827 HE3 LYS 117 HE1 LYS 117 -19.269 -9.881 15.066 828 HZ1 LYS 117 HZ1 LYS 117 -21.247 -8.655 13.784 829 HZ2 LYS 117 HZ2 LYS 117 -19.926 -7.945 13.003 830 HZ3 LYS 117 HZ3 LYS 117 -20.076 -7.830 14.684 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -19.090 7.996 2.170 2 H2 MET 1 HT2 MET 1 -19.029 8.498 0.531 3 H3 MET 1 HT3 MET 1 -17.666 8.721 1.550 4 HA MET 1 HA MET 1 -18.800 6.085 0.941 5 HB2 MET 1 HB2 MET 1 -17.046 7.882 -0.638 6 HB3 MET 1 HB1 MET 1 -16.558 6.195 -0.551 7 HG2 MET 1 HG2 MET 1 -18.498 5.454 -1.611 8 HG3 MET 1 HG1 MET 1 -19.348 6.970 -1.312 9 HE1 MET 1 HE1 MET 1 -15.526 6.890 -3.023 10 HE2 MET 1 HE2 MET 1 -16.173 6.064 -4.441 11 HE3 MET 1 HE3 MET 1 -16.355 5.343 -2.842 12 H ASP 2 H ASP 2 -18.311 5.455 3.073 13 HA ASP 2 HA ASP 2 -15.427 5.314 3.663 14 HB2 ASP 2 HB2 ASP 2 -17.751 5.678 5.557 15 HB3 ASP 2 HB1 ASP 2 -16.136 5.225 6.095 16 H ARG 3 H ARG 3 -16.392 3.363 2.119 17 HA ARG 3 HA ARG 3 -15.951 1.026 3.672 18 HB2 ARG 3 HB2 ARG 3 -18.716 1.860 3.212 19 HB3 ARG 3 HB1 ARG 3 -18.388 0.231 2.640 20 HG2 ARG 3 HG2 ARG 3 -17.367 -0.193 4.935 21 HG3 ARG 3 HG1 ARG 3 -18.145 1.314 5.424 22 HD2 ARG 3 HD2 ARG 3 -19.718 -0.829 4.050 23 HD3 ARG 3 HD1 ARG 3 -19.384 -0.937 5.778 24 HE ARG 3 HE ARG 3 -20.386 1.557 5.506 25 HH11 ARG 3 HH11 ARG 3 -21.514 -1.585 4.491 26 HH12 ARG 3 HH12 ARG 3 -23.188 -1.157 4.598 27 HH21 ARG 3 HH21 ARG 3 -22.588 2.122 5.649 28 HH22 ARG 3 HH22 ARG 3 -23.800 0.947 5.256 29 H LYS 4 H LYS 4 -17.271 2.352 0.670 30 HA LYS 4 HA LYS 4 -16.895 0.140 -0.980 31 HB2 LYS 4 HB2 LYS 4 -16.896 3.100 -1.529 32 HB3 LYS 4 HB1 LYS 4 -16.651 1.930 -2.817 33 HG2 LYS 4 HG2 LYS 4 -18.834 0.866 -2.026 34 HG3 LYS 4 HG1 LYS 4 -19.082 2.359 -1.117 35 HD2 LYS 4 HD2 LYS 4 -20.058 3.093 -3.002 36 HD3 LYS 4 HD1 LYS 4 -18.404 3.320 -3.576 37 HE2 LYS 4 HE2 LYS 4 -18.541 1.608 -5.029 38 HE3 LYS 4 HE1 LYS 4 -19.462 0.602 -3.913 39 HZ1 LYS 4 HZ1 LYS 4 -21.416 1.328 -4.731 40 HZ2 LYS 4 HZ2 LYS 4 -20.496 1.665 -6.111 41 HZ3 LYS 4 HZ3 LYS 4 -20.859 2.901 -5.015 42 H VAL 5 H VAL 5 -14.597 2.516 0.178 43 HA VAL 5 HA VAL 5 -12.504 2.165 -1.602 44 HB VAL 5 HB VAL 5 -12.190 2.457 1.391 45 HG11 VAL 5 HG11 VAL 5 -10.246 2.017 -0.433 46 HG12 VAL 5 HG12 VAL 5 -10.017 2.943 1.051 47 HG13 VAL 5 HG13 VAL 5 -10.334 3.777 -0.471 48 HG21 VAL 5 HG21 VAL 5 -11.918 4.961 0.460 49 HG22 VAL 5 HG22 VAL 5 -13.445 4.306 1.049 50 HG23 VAL 5 HG23 VAL 5 -13.111 4.344 -0.682 51 H ALA 6 H ALA 6 -13.499 0.173 1.124 52 HA ALA 6 HA ALA 6 -11.291 -1.629 0.967 53 HB1 ALA 6 HB1 ALA 6 -12.492 -2.966 2.570 54 HB2 ALA 6 HB2 ALA 6 -13.983 -2.081 2.248 55 HB3 ALA 6 HB3 ALA 6 -12.626 -1.268 3.026 56 H ARG 7 H ARG 7 -14.546 -1.522 -0.366 57 HA ARG 7 HA ARG 7 -14.575 -4.174 -1.372 58 HB2 ARG 7 HB2 ARG 7 -16.410 -2.124 -1.164 59 HB3 ARG 7 HB1 ARG 7 -16.150 -2.238 -2.900 60 HG2 ARG 7 HG2 ARG 7 -17.219 -4.201 -3.058 61 HG3 ARG 7 HG1 ARG 7 -16.538 -4.812 -1.550 62 HD2 ARG 7 HD2 ARG 7 -18.142 -3.039 -0.473 63 HD3 ARG 7 HD1 ARG 7 -18.997 -3.185 -2.006 64 HE ARG 7 HE ARG 7 -18.457 -5.740 -0.895 65 HH11 ARG 7 HH11 ARG 7 -20.561 -2.975 -0.564 66 HH12 ARG 7 HH12 ARG 7 -21.865 -3.891 0.116 67 HH21 ARG 7 HH21 ARG 7 -20.169 -6.946 -0.004 68 HH22 ARG 7 HH22 ARG 7 -21.641 -6.146 0.435 69 H GLU 8 H GLU 8 -13.483 -1.102 -2.680 70 HA GLU 8 HA GLU 8 -13.079 -2.057 -5.334 71 HB2 GLU 8 HB2 GLU 8 -11.831 0.313 -3.927 72 HB3 GLU 8 HB1 GLU 8 -11.793 0.018 -5.660 73 HG2 GLU 8 HG2 GLU 8 -14.352 0.320 -4.120 74 HG3 GLU 8 HG1 GLU 8 -13.494 1.686 -4.833 75 H PHE 9 H PHE 9 -10.873 -1.454 -2.608 76 HA PHE 9 HA PHE 9 -8.560 -2.418 -3.919 77 HB2 PHE 9 HB2 PHE 9 -8.442 -0.977 -1.931 78 HB3 PHE 9 HB1 PHE 9 -9.165 -2.252 -0.956 79 HD1 PHE 9 HD1 PHE 9 -6.469 -2.373 -3.524 80 HD2 PHE 9 HD2 PHE 9 -7.562 -2.941 0.551 81 HE1 PHE 9 HE1 PHE 9 -4.229 -3.275 -3.052 82 HE2 PHE 9 HE2 PHE 9 -5.324 -3.843 1.029 83 HZ PHE 9 HZ PHE 9 -3.654 -4.011 -0.773 84 H ARG 10 H ARG 10 -11.051 -3.929 -1.964 85 HA ARG 10 HA ARG 10 -9.744 -6.456 -1.729 86 HB2 ARG 10 HB2 ARG 10 -11.505 -5.647 -0.165 87 HB3 ARG 10 HB1 ARG 10 -12.686 -5.820 -1.455 88 HG2 ARG 10 HG2 ARG 10 -12.777 -8.065 -1.258 89 HG3 ARG 10 HG1 ARG 10 -11.064 -8.207 -0.860 90 HD2 ARG 10 HD2 ARG 10 -11.697 -8.553 1.247 91 HD3 ARG 10 HD1 ARG 10 -12.149 -6.850 1.299 92 HE ARG 10 HE ARG 10 -14.358 -7.462 1.234 93 HH11 ARG 10 HH11 ARG 10 -12.385 -10.219 0.406 94 HH12 ARG 10 HH12 ARG 10 -13.704 -11.337 0.461 95 HH21 ARG 10 HH21 ARG 10 -16.095 -8.932 1.305 96 HH22 ARG 10 HH22 ARG 10 -15.812 -10.607 0.970 97 H HIS 11 H HIS 11 -12.276 -5.157 -3.855 98 HA HIS 11 HA HIS 11 -12.781 -7.543 -5.260 99 HB2 HIS 11 HB2 HIS 11 -14.224 -5.494 -5.300 100 HB3 HIS 11 HB1 HIS 11 -13.027 -4.727 -6.336 101 HD1 HIS 11 HD1 HIS 11 -15.497 -4.745 -7.740 102 HD2 HIS 11 HD2 HIS 11 -13.212 -8.212 -7.592 103 HE1 HIS 11 HE1 HIS 11 -16.284 -6.151 -9.671 104 HE2 HIS 11 HE2 HIS 11 -14.954 -8.284 -9.503 105 H LYS 12 H LYS 12 -10.536 -4.874 -5.901 106 HA LYS 12 HA LYS 12 -9.568 -5.775 -8.367 107 HB2 LYS 12 HB2 LYS 12 -8.457 -4.022 -6.207 108 HB3 LYS 12 HB1 LYS 12 -7.425 -4.501 -7.546 109 HG2 LYS 12 HG2 LYS 12 -10.104 -3.333 -8.123 110 HG3 LYS 12 HG1 LYS 12 -8.779 -2.273 -7.637 111 HD2 LYS 12 HD2 LYS 12 -8.531 -4.270 -9.875 112 HD3 LYS 12 HD1 LYS 12 -9.091 -2.616 -10.130 113 HE2 LYS 12 HE2 LYS 12 -6.618 -2.843 -8.569 114 HE3 LYS 12 HE1 LYS 12 -6.489 -3.418 -10.230 115 HZ1 LYS 12 HZ1 LYS 12 -6.076 -1.248 -10.602 116 HZ2 LYS 12 HZ2 LYS 12 -6.912 -0.719 -9.230 117 HZ3 LYS 12 HZ3 LYS 12 -7.763 -1.136 -10.630 118 H VAL 13 H VAL 13 -8.218 -6.253 -5.102 119 HA VAL 13 HA VAL 13 -6.070 -7.868 -5.775 120 HB VAL 13 HB VAL 13 -7.776 -8.119 -3.290 121 HG11 VAL 13 HG11 VAL 13 -6.183 -9.992 -3.738 122 HG12 VAL 13 HG12 VAL 13 -5.867 -9.109 -2.244 123 HG13 VAL 13 HG13 VAL 13 -4.868 -8.817 -3.669 124 HG21 VAL 13 HG21 VAL 13 -6.536 -5.857 -4.107 125 HG22 VAL 13 HG22 VAL 13 -5.241 -6.630 -3.191 126 HG23 VAL 13 HG23 VAL 13 -6.789 -6.293 -2.417 127 H ASP 14 H ASP 14 -9.459 -8.705 -5.330 128 HA ASP 14 HA ASP 14 -9.075 -11.524 -5.473 129 HB2 ASP 14 HB2 ASP 14 -11.119 -10.107 -4.604 130 HB3 ASP 14 HB1 ASP 14 -11.653 -10.233 -6.278 131 H PHE 15 H PHE 15 -9.458 -8.982 -7.827 132 HA PHE 15 HA PHE 15 -10.174 -10.639 -10.025 133 HB2 PHE 15 HB2 PHE 15 -10.313 -8.028 -9.724 134 HB3 PHE 15 HB1 PHE 15 -8.682 -8.066 -10.387 135 HD1 PHE 15 HD1 PHE 15 -8.452 -9.563 -12.570 136 HD2 PHE 15 HD2 PHE 15 -12.058 -7.780 -11.186 137 HE1 PHE 15 HE1 PHE 15 -9.378 -9.680 -14.846 138 HE2 PHE 15 HE2 PHE 15 -12.993 -7.894 -13.458 139 HZ PHE 15 HZ PHE 15 -11.652 -8.846 -15.293 140 H LEU 16 H LEU 16 -7.176 -9.635 -8.566 141 HA LEU 16 HA LEU 16 -5.578 -10.766 -10.713 142 HB2 LEU 16 HB2 LEU 16 -4.373 -9.849 -8.152 143 HB3 LEU 16 HB1 LEU 16 -3.765 -9.697 -9.789 144 HG LEU 16 HG LEU 16 -6.159 -8.116 -8.901 145 HD11 LEU 16 HD11 LEU 16 -3.331 -7.738 -8.132 146 HD12 LEU 16 HD12 LEU 16 -4.810 -7.240 -7.312 147 HD13 LEU 16 HD13 LEU 16 -4.203 -6.307 -8.680 148 HD21 LEU 16 HD21 LEU 16 -5.938 -7.885 -11.177 149 HD22 LEU 16 HD22 LEU 16 -4.180 -8.042 -11.132 150 HD23 LEU 16 HD23 LEU 16 -4.946 -6.543 -10.606 151 H ILE 17 H ILE 17 -6.052 -11.305 -7.243 152 HA ILE 17 HA ILE 17 -4.583 -13.793 -7.315 153 HB ILE 17 HB ILE 17 -6.214 -12.822 -4.998 154 HG12 ILE 17 HG12 ILE 17 -4.792 -10.958 -5.756 155 HG13 ILE 17 HG11 ILE 17 -4.290 -11.582 -4.190 156 HG21 ILE 17 HG21 ILE 17 -5.325 -14.565 -3.969 157 HG22 ILE 17 HG22 ILE 17 -3.701 -13.971 -4.317 158 HG23 ILE 17 HG23 ILE 17 -4.520 -15.027 -5.467 159 HD11 ILE 17 HD11 ILE 17 -2.719 -13.041 -5.817 160 HD12 ILE 17 HD12 ILE 17 -2.249 -11.494 -5.116 161 HD13 ILE 17 HD13 ILE 17 -2.876 -11.560 -6.762 162 H GLU 18 H GLU 18 -7.832 -12.906 -6.230 163 HA GLU 18 HA GLU 18 -9.787 -13.986 -6.290 164 HB2 GLU 18 HB2 GLU 18 -9.444 -14.245 -8.686 165 HB3 GLU 18 HB1 GLU 18 -8.459 -15.677 -8.403 166 HG2 GLU 18 HG2 GLU 18 -10.278 -16.929 -7.689 167 HG3 GLU 18 HG1 GLU 18 -11.283 -15.499 -7.470 168 H ASN 19 H ASN 19 -7.108 -15.066 -5.088 169 HA ASN 19 HA ASN 19 -8.128 -17.663 -4.190 170 HB2 ASN 19 HB2 ASN 19 -5.461 -16.587 -4.693 171 HB3 ASN 19 HB1 ASN 19 -5.580 -17.404 -3.138 172 HD21 ASN 19 HD21 ASN 19 -4.056 -18.886 -4.157 173 HD22 ASN 19 HD22 ASN 19 -4.671 -20.173 -5.131 174 H ASP 20 H ASP 20 -7.633 -18.215 -1.864 175 HA ASP 20 HA ASP 20 -8.442 -15.955 -0.191 176 HB2 ASP 20 HB2 ASP 20 -8.709 -18.937 0.111 177 HB3 ASP 20 HB1 ASP 20 -8.932 -17.855 1.483 178 H ALA 21 H ALA 21 -6.166 -18.685 -0.212 179 HA ALA 21 HA ALA 21 -4.825 -18.130 2.155 180 HB1 ALA 21 HB1 ALA 21 -4.461 -20.203 0.998 181 HB2 ALA 21 HB2 ALA 21 -2.917 -19.363 1.145 182 HB3 ALA 21 HB3 ALA 21 -3.780 -19.357 -0.391 183 H GLU 22 H GLU 22 -4.106 -16.997 -1.123 184 HA GLU 22 HA GLU 22 -1.838 -15.477 -0.463 185 HB2 GLU 22 HB2 GLU 22 -3.781 -15.437 -2.746 186 HB3 GLU 22 HB1 GLU 22 -2.565 -14.176 -2.609 187 HG2 GLU 22 HG2 GLU 22 -1.867 -15.999 -4.086 188 HG3 GLU 22 HG1 GLU 22 -0.796 -15.807 -2.700 189 H LYS 23 H LYS 23 -5.263 -14.574 -0.728 190 HA LYS 23 HA LYS 23 -4.934 -11.837 -0.169 191 HB2 LYS 23 HB2 LYS 23 -7.085 -13.596 -0.653 192 HB3 LYS 23 HB1 LYS 23 -7.420 -12.841 0.899 193 HG2 LYS 23 HG2 LYS 23 -7.114 -10.627 -0.151 194 HG3 LYS 23 HG1 LYS 23 -6.892 -11.430 -1.707 195 HD2 LYS 23 HD2 LYS 23 -9.228 -12.540 -0.791 196 HD3 LYS 23 HD1 LYS 23 -9.340 -10.877 -0.210 197 HE2 LYS 23 HE2 LYS 23 -8.498 -10.415 -2.712 198 HE3 LYS 23 HE1 LYS 23 -9.354 -11.934 -2.972 199 HZ1 LYS 23 HZ1 LYS 23 -10.866 -10.135 -1.357 200 HZ2 LYS 23 HZ2 LYS 23 -11.301 -10.909 -2.797 201 HZ3 LYS 23 HZ3 LYS 23 -10.469 -9.436 -2.847 202 H ASP 24 H ASP 24 -5.147 -14.657 1.887 203 HA ASP 24 HA ASP 24 -5.610 -13.360 4.336 204 HB2 ASP 24 HB2 ASP 24 -5.726 -15.852 3.893 205 HB3 ASP 24 HB1 ASP 24 -3.966 -15.867 3.955 206 H TYR 25 H TYR 25 -2.563 -14.411 2.812 207 HA TYR 25 HA TYR 25 -0.909 -13.219 4.784 208 HB2 TYR 25 HB2 TYR 25 -0.098 -15.039 3.350 209 HB3 TYR 25 HB1 TYR 25 -0.258 -14.005 1.933 210 HD1 TYR 25 HD2 TYR 25 1.580 -14.399 5.131 211 HD2 TYR 25 HD1 TYR 25 1.485 -12.547 1.300 212 HE1 TYR 25 HE2 TYR 25 3.882 -13.603 5.465 213 HE2 TYR 25 HE1 TYR 25 3.787 -11.747 1.626 214 HH TYR 25 HH TYR 25 5.853 -12.933 3.833 215 H LEU 26 H LEU 26 -1.993 -12.129 1.579 216 HA LEU 26 HA LEU 26 -0.524 -9.745 1.524 217 HB2 LEU 26 HB2 LEU 26 -1.713 -10.566 -0.445 218 HB3 LEU 26 HB1 LEU 26 -3.253 -10.345 0.366 219 HG LEU 26 HG LEU 26 -2.604 -7.850 0.493 220 HD11 LEU 26 HD11 LEU 26 -0.787 -8.709 -1.753 221 HD12 LEU 26 HD12 LEU 26 -0.242 -8.218 -0.148 222 HD13 LEU 26 HD13 LEU 26 -1.076 -7.063 -1.188 223 HD21 LEU 26 HD21 LEU 26 -4.206 -9.195 -1.141 224 HD22 LEU 26 HD22 LEU 26 -3.026 -8.649 -2.332 225 HD23 LEU 26 HD23 LEU 26 -3.890 -7.472 -1.344 226 H TYR 27 H TYR 27 -3.679 -10.535 2.892 227 HA TYR 27 HA TYR 27 -4.305 -7.942 3.818 228 HB2 TYR 27 HB2 TYR 27 -5.274 -10.680 4.320 229 HB3 TYR 27 HB1 TYR 27 -5.454 -9.588 5.688 230 HD1 TYR 27 HD1 TYR 27 -6.403 -7.171 4.954 231 HD2 TYR 27 HD2 TYR 27 -7.063 -10.824 2.874 232 HE1 TYR 27 HE1 TYR 27 -8.428 -6.219 3.936 233 HE2 TYR 27 HE2 TYR 27 -9.090 -9.881 1.850 234 HH TYR 27 HH TYR 27 -9.773 -6.919 1.507 235 H ASP 28 H ASP 28 -2.266 -10.532 5.003 236 HA ASP 28 HA ASP 28 -1.838 -9.424 7.600 237 HB2 ASP 28 HB2 ASP 28 -1.474 -11.859 6.802 238 HB3 ASP 28 HB1 ASP 28 0.072 -11.276 6.191 239 H VAL 29 H VAL 29 -0.326 -9.093 4.436 240 HA VAL 29 HA VAL 29 2.055 -7.834 5.302 241 HB VAL 29 HB VAL 29 0.622 -7.476 2.661 242 HG11 VAL 29 HG11 VAL 29 3.357 -6.749 3.635 243 HG12 VAL 29 HG12 VAL 29 2.207 -5.786 2.706 244 HG13 VAL 29 HG13 VAL 29 3.079 -7.107 1.930 245 HG21 VAL 29 HG21 VAL 29 2.512 -9.570 3.670 246 HG22 VAL 29 HG22 VAL 29 2.427 -9.181 1.951 247 HG23 VAL 29 HG23 VAL 29 0.994 -9.768 2.795 248 H LEU 30 H LEU 30 -0.954 -6.439 3.986 249 HA LEU 30 HA LEU 30 -0.239 -3.753 4.375 250 HB2 LEU 30 HB2 LEU 30 -3.041 -4.865 4.486 251 HB3 LEU 30 HB1 LEU 30 -2.562 -3.235 4.053 252 HG LEU 30 HG LEU 30 -1.442 -5.377 2.358 253 HD11 LEU 30 HD11 LEU 30 -4.346 -5.013 2.757 254 HD12 LEU 30 HD12 LEU 30 -3.440 -6.426 2.215 255 HD13 LEU 30 HD13 LEU 30 -3.781 -5.113 1.088 256 HD21 LEU 30 HD21 LEU 30 -1.062 -2.991 1.934 257 HD22 LEU 30 HD22 LEU 30 -2.800 -2.753 1.757 258 HD23 LEU 30 HD23 LEU 30 -1.928 -3.765 0.605 259 H ARG 31 H ARG 31 -1.779 -6.110 6.473 260 HA ARG 31 HA ARG 31 -2.520 -4.341 8.543 261 HB2 ARG 31 HB2 ARG 31 -3.297 -6.742 8.192 262 HB3 ARG 31 HB1 ARG 31 -1.771 -7.241 8.906 263 HG2 ARG 31 HG2 ARG 31 -3.374 -5.286 10.436 264 HG3 ARG 31 HG1 ARG 31 -4.009 -6.928 10.319 265 HD2 ARG 31 HD2 ARG 31 -1.926 -7.819 11.198 266 HD3 ARG 31 HD1 ARG 31 -1.233 -6.199 11.250 267 HE ARG 31 HE ARG 31 -3.659 -6.470 12.767 268 HH11 ARG 31 HH11 ARG 31 -0.191 -6.848 12.830 269 HH12 ARG 31 HH12 ARG 31 -0.080 -6.692 14.552 270 HH21 ARG 31 HH21 ARG 31 -3.515 -6.264 15.031 271 HH22 ARG 31 HH22 ARG 31 -1.967 -6.361 15.801 272 H MET 32 H MET 32 0.387 -6.299 7.995 273 HA MET 32 HA MET 32 1.666 -5.570 10.423 274 HB2 MET 32 HB2 MET 32 2.194 -7.298 8.258 275 HB3 MET 32 HB1 MET 32 3.554 -6.186 8.330 276 HG2 MET 32 HG2 MET 32 3.423 -6.777 10.905 277 HG3 MET 32 HG1 MET 32 2.673 -8.241 10.272 278 HE1 MET 32 HE1 MET 32 5.735 -5.952 8.931 279 HE2 MET 32 HE2 MET 32 7.015 -6.874 9.717 280 HE3 MET 32 HE3 MET 32 5.765 -6.095 10.687 281 H TYR 33 H TYR 33 1.648 -4.250 7.169 282 HA TYR 33 HA TYR 33 3.755 -2.420 7.436 283 HB2 TYR 33 HB2 TYR 33 2.856 -2.934 5.257 284 HB3 TYR 33 HB1 TYR 33 1.266 -2.341 5.721 285 HD1 TYR 33 HD1 TYR 33 4.528 -0.703 6.400 286 HD2 TYR 33 HD2 TYR 33 0.933 -0.646 4.124 287 HE1 TYR 33 HE1 TYR 33 5.113 1.524 5.538 288 HE2 TYR 33 HE2 TYR 33 1.510 1.580 3.256 289 HH TYR 33 HH TYR 33 3.563 2.944 2.905 290 H HIS 34 H HIS 34 0.344 -2.209 8.284 291 HA HIS 34 HA HIS 34 0.375 0.568 8.913 292 HB2 HIS 34 HB2 HIS 34 -1.718 -0.532 8.375 293 HB3 HIS 34 HB1 HIS 34 -1.523 -1.644 9.727 294 HD1 HIS 34 HD1 HIS 34 -1.419 -0.306 12.164 295 HD2 HIS 34 HD2 HIS 34 -3.283 1.588 8.971 296 HE1 HIS 34 HE1 HIS 34 -2.877 1.466 13.193 297 HE2 HIS 34 HE2 HIS 34 -3.919 2.663 11.236 298 H GLN 35 H GLN 35 1.077 -2.355 10.694 299 HA GLN 35 HA GLN 35 1.068 -1.085 13.267 300 HB2 GLN 35 HB2 GLN 35 0.891 -3.675 12.448 301 HB3 GLN 35 HB1 GLN 35 2.568 -3.601 12.972 302 HG2 GLN 35 HG2 GLN 35 1.229 -2.346 15.015 303 HG3 GLN 35 HG1 GLN 35 0.116 -3.627 14.534 304 HE21 GLN 35 HE21 GLN 35 3.402 -2.955 15.578 305 HE22 GLN 35 HE22 GLN 35 3.708 -4.518 16.248 306 H THR 36 H THR 36 3.679 -2.608 11.400 307 HA THR 36 HA THR 36 5.726 -1.385 12.955 308 HB THR 36 HB THR 36 6.177 -3.497 11.911 309 HG1 THR 36 HG1 THR 36 7.884 -1.846 11.987 310 HG21 THR 36 HG21 THR 36 5.241 -3.964 9.957 311 HG22 THR 36 HG22 THR 36 6.571 -3.064 9.227 312 HG23 THR 36 HG23 THR 36 5.035 -2.260 9.552 313 H MET 37 H MET 37 4.001 -0.461 10.081 314 HA MET 37 HA MET 37 4.028 1.443 8.830 315 HB2 MET 37 HB2 MET 37 4.727 2.253 11.424 316 HB3 MET 37 HB1 MET 37 5.883 3.048 10.363 317 HG2 MET 37 HG2 MET 37 4.146 4.571 10.529 318 HG3 MET 37 HG1 MET 37 3.845 3.762 8.992 319 HE1 MET 37 HE1 MET 37 1.053 4.211 8.818 320 HE2 MET 37 HE2 MET 37 0.415 2.607 9.181 321 HE3 MET 37 HE3 MET 37 1.934 2.773 8.301 322 H ASP 38 H ASP 38 5.893 -0.614 8.275 323 HA ASP 38 HA ASP 38 8.207 0.915 7.280 324 HB2 ASP 38 HB2 ASP 38 7.913 -1.848 8.328 325 HB3 ASP 38 HB1 ASP 38 9.043 -1.617 6.996 326 H VAL 39 H VAL 39 7.941 1.467 5.227 327 HA VAL 39 HA VAL 39 6.170 0.161 3.442 328 HB VAL 39 HB VAL 39 8.435 1.992 2.660 329 HG11 VAL 39 HG11 VAL 39 6.247 2.544 1.091 330 HG12 VAL 39 HG12 VAL 39 6.169 0.792 1.280 331 HG13 VAL 39 HG13 VAL 39 7.624 1.544 0.628 332 HG21 VAL 39 HG21 VAL 39 7.429 3.363 4.183 333 HG22 VAL 39 HG22 VAL 39 5.862 2.568 4.028 334 HG23 VAL 39 HG23 VAL 39 6.408 3.689 2.782 335 H ALA 40 H ALA 40 9.501 -0.321 4.258 336 HA ALA 40 HA ALA 40 10.235 -1.721 1.877 337 HB1 ALA 40 HB1 ALA 40 11.490 -1.119 4.484 338 HB2 ALA 40 HB2 ALA 40 12.144 -0.990 2.851 339 HB3 ALA 40 HB3 ALA 40 12.068 -2.561 3.648 340 H VAL 41 H VAL 41 8.635 -2.531 4.827 341 HA VAL 41 HA VAL 41 9.120 -5.351 4.643 342 HB VAL 41 HB VAL 41 7.083 -3.866 6.309 343 HG11 VAL 41 HG11 VAL 41 7.599 -6.121 7.679 344 HG12 VAL 41 HG12 VAL 41 7.791 -6.718 6.029 345 HG13 VAL 41 HG13 VAL 41 6.273 -5.966 6.526 346 HG21 VAL 41 HG21 VAL 41 9.662 -3.461 6.576 347 HG22 VAL 41 HG22 VAL 41 9.604 -5.015 7.407 348 HG23 VAL 41 HG23 VAL 41 8.631 -3.667 7.992 349 H LEU 42 H LEU 42 6.425 -3.169 3.907 350 HA LEU 42 HA LEU 42 4.618 -5.203 3.128 351 HB2 LEU 42 HB2 LEU 42 3.185 -3.506 2.453 352 HB3 LEU 42 HB1 LEU 42 4.132 -2.745 3.714 353 HG LEU 42 HG LEU 42 5.607 -1.920 1.702 354 HD11 LEU 42 HD11 LEU 42 3.154 -2.954 0.422 355 HD12 LEU 42 HD12 LEU 42 4.788 -2.791 -0.219 356 HD13 LEU 42 HD13 LEU 42 3.733 -1.380 -0.126 357 HD21 LEU 42 HD21 LEU 42 2.894 -0.721 2.236 358 HD22 LEU 42 HD22 LEU 42 4.326 0.117 1.639 359 HD23 LEU 42 HD23 LEU 42 4.302 -0.526 3.279 360 H VAL 43 H VAL 43 6.995 -3.274 1.368 361 HA VAL 43 HA VAL 43 6.275 -4.146 -1.226 362 HB VAL 43 HB VAL 43 8.985 -3.211 -0.263 363 HG11 VAL 43 HG11 VAL 43 9.307 -2.564 -2.633 364 HG12 VAL 43 HG12 VAL 43 7.792 -3.375 -3.028 365 HG13 VAL 43 HG13 VAL 43 9.154 -4.305 -2.404 366 HG21 VAL 43 HG21 VAL 43 8.302 -1.064 -0.401 367 HG22 VAL 43 HG22 VAL 43 6.713 -1.769 -0.105 368 HG23 VAL 43 HG23 VAL 43 7.215 -1.385 -1.751 369 H GLY 44 H GLY 44 8.597 -5.351 1.167 370 HA2 GLY 44 HA2 GLY 44 9.827 -7.311 -0.413 371 HA3 GLY 44 HA1 GLY 44 9.684 -7.367 1.338 372 H ASP 45 H ASP 45 7.067 -7.647 1.814 373 HA ASP 45 HA ASP 45 6.579 -10.359 1.272 374 HB2 ASP 45 HB2 ASP 45 4.741 -8.168 2.256 375 HB3 ASP 45 HB1 ASP 45 4.275 -9.864 2.174 376 H LEU 46 H LEU 46 5.262 -7.399 -0.174 377 HA LEU 46 HA LEU 46 3.330 -8.474 -1.820 378 HB2 LEU 46 HB2 LEU 46 5.039 -6.060 -1.898 379 HB3 LEU 46 HB1 LEU 46 4.293 -6.519 -3.416 380 HG LEU 46 HG LEU 46 2.871 -5.864 -0.838 381 HD11 LEU 46 HD11 LEU 46 3.881 -4.132 -2.634 382 HD12 LEU 46 HD12 LEU 46 2.420 -3.829 -1.695 383 HD13 LEU 46 HD13 LEU 46 2.296 -4.432 -3.348 384 HD21 LEU 46 HD21 LEU 46 2.013 -7.623 -2.822 385 HD22 LEU 46 HD22 LEU 46 1.191 -6.105 -3.177 386 HD23 LEU 46 HD23 LEU 46 1.021 -6.850 -1.588 387 H LYS 47 H LYS 47 6.817 -8.236 -2.377 388 HA LYS 47 HA LYS 47 6.776 -9.232 -5.030 389 HB2 LYS 47 HB2 LYS 47 8.857 -8.842 -2.929 390 HB3 LYS 47 HB1 LYS 47 9.242 -9.900 -4.280 391 HG2 LYS 47 HG2 LYS 47 9.401 -8.198 -5.740 392 HG3 LYS 47 HG1 LYS 47 8.065 -7.306 -5.008 393 HD2 LYS 47 HD2 LYS 47 9.430 -6.321 -3.411 394 HD3 LYS 47 HD1 LYS 47 10.675 -7.561 -3.568 395 HE2 LYS 47 HE2 LYS 47 11.179 -6.705 -5.834 396 HE3 LYS 47 HE1 LYS 47 10.004 -5.416 -5.579 397 HZ1 LYS 47 HZ1 LYS 47 12.682 -5.726 -4.498 398 HZ2 LYS 47 HZ2 LYS 47 11.523 -5.121 -3.423 399 HZ3 LYS 47 HZ3 LYS 47 11.825 -4.318 -4.882 400 H LEU 48 H LEU 48 7.454 -10.806 -1.908 401 HA LEU 48 HA LEU 48 7.940 -13.380 -2.789 402 HB2 LEU 48 HB2 LEU 48 6.779 -12.244 -0.282 403 HB3 LEU 48 HB1 LEU 48 6.742 -13.981 -0.518 404 HG LEU 48 HG LEU 48 9.360 -12.676 -0.954 405 HD11 LEU 48 HD11 LEU 48 7.873 -12.499 1.591 406 HD12 LEU 48 HD12 LEU 48 9.152 -11.470 0.947 407 HD13 LEU 48 HD13 LEU 48 9.556 -13.017 1.691 408 HD21 LEU 48 HD21 LEU 48 10.001 -14.710 0.459 409 HD22 LEU 48 HD22 LEU 48 9.356 -15.006 -1.154 410 HD23 LEU 48 HD23 LEU 48 8.324 -15.215 0.261 411 H VAL 49 H VAL 49 4.954 -11.627 -2.647 412 HA VAL 49 HA VAL 49 3.398 -14.039 -3.227 413 HB VAL 49 HB VAL 49 2.379 -11.230 -2.787 414 HG11 VAL 49 HG11 VAL 49 0.234 -12.316 -2.407 415 HG12 VAL 49 HG12 VAL 49 0.966 -13.894 -2.693 416 HG13 VAL 49 HG13 VAL 49 0.860 -12.722 -4.005 417 HG21 VAL 49 HG21 VAL 49 1.944 -11.786 -0.515 418 HG22 VAL 49 HG22 VAL 49 3.631 -12.187 -0.829 419 HG23 VAL 49 HG23 VAL 49 2.418 -13.465 -0.768 420 H ILE 50 H ILE 50 4.626 -11.120 -4.641 421 HA ILE 50 HA ILE 50 3.114 -11.591 -7.102 422 HB ILE 50 HB ILE 50 4.797 -9.201 -6.342 423 HG12 ILE 50 HG12 ILE 50 1.816 -9.148 -6.575 424 HG13 ILE 50 HG11 ILE 50 2.546 -9.761 -5.094 425 HG21 ILE 50 HG21 ILE 50 4.774 -9.022 -8.605 426 HG22 ILE 50 HG22 ILE 50 3.223 -8.263 -8.255 427 HG23 ILE 50 HG23 ILE 50 3.281 -9.946 -8.776 428 HD11 ILE 50 HD11 ILE 50 2.086 -7.479 -4.738 429 HD12 ILE 50 HD12 ILE 50 2.804 -7.018 -6.282 430 HD13 ILE 50 HD13 ILE 50 3.828 -7.605 -4.972 431 H ASN 51 H ASN 51 5.488 -13.111 -6.115 432 HA ASN 51 HA ASN 51 7.846 -12.614 -7.401 433 HB2 ASN 51 HB2 ASN 51 8.097 -15.130 -7.557 434 HB3 ASN 51 HB1 ASN 51 7.706 -14.503 -5.957 435 HD21 ASN 51 HD21 ASN 51 7.112 -16.842 -5.755 436 HD22 ASN 51 HD22 ASN 51 5.485 -17.275 -6.140 437 H GLU 52 H GLU 52 4.837 -13.655 -8.817 438 HA GLU 52 HA GLU 52 6.115 -14.040 -11.423 439 HB2 GLU 52 HB2 GLU 52 3.381 -14.717 -10.356 440 HB3 GLU 52 HB1 GLU 52 3.751 -14.781 -12.074 441 HG2 GLU 52 HG2 GLU 52 5.800 -16.207 -10.835 442 HG3 GLU 52 HG1 GLU 52 4.325 -16.687 -9.998 443 HA PRO 53 HA PRO 53 5.044 -10.016 -12.912 444 HB2 PRO 53 HB2 PRO 53 4.353 -11.391 -15.454 445 HB3 PRO 53 HB1 PRO 53 5.474 -10.058 -15.163 446 HG2 PRO 53 HG2 PRO 53 6.377 -12.518 -15.646 447 HG3 PRO 53 HG1 PRO 53 7.175 -11.468 -14.460 448 HD2 PRO 53 HD2 PRO 53 5.338 -13.783 -14.011 449 HD3 PRO 53 HD1 PRO 53 6.774 -13.284 -13.093 450 H SER 54 H SER 54 2.854 -12.719 -13.313 451 HA SER 54 HA SER 54 0.604 -11.365 -14.274 452 HB2 SER 54 HB2 SER 54 1.031 -13.909 -12.761 453 HB3 SER 54 HB1 SER 54 -0.611 -13.293 -12.943 454 HG SER 54 HG SER 54 -0.572 -13.790 -14.994 455 H ARG 55 H ARG 55 1.895 -11.671 -11.033 456 HA ARG 55 HA ARG 55 -0.445 -10.441 -9.834 457 HB2 ARG 55 HB2 ARG 55 2.126 -11.559 -8.767 458 HB3 ARG 55 HB1 ARG 55 1.087 -10.573 -7.747 459 HG2 ARG 55 HG2 ARG 55 -0.291 -12.271 -7.375 460 HG3 ARG 55 HG1 ARG 55 -0.425 -12.626 -9.098 461 HD2 ARG 55 HD2 ARG 55 1.229 -14.194 -9.044 462 HD3 ARG 55 HD1 ARG 55 2.094 -13.394 -7.732 463 HE ARG 55 HE ARG 55 0.891 -14.632 -6.224 464 HH11 ARG 55 HH11 ARG 55 -0.618 -14.880 -9.361 465 HH12 ARG 55 HH12 ARG 55 -1.717 -16.124 -8.871 466 HH21 ARG 55 HH21 ARG 55 -0.555 -16.270 -5.578 467 HH22 ARG 55 HH22 ARG 55 -1.682 -16.913 -6.725 468 H LEU 56 H LEU 56 1.715 -9.104 -11.698 469 HA LEU 56 HA LEU 56 3.080 -7.131 -10.335 470 HB2 LEU 56 HB2 LEU 56 1.945 -7.335 -13.086 471 HB3 LEU 56 HB1 LEU 56 2.590 -5.794 -12.552 472 HG LEU 56 HG LEU 56 4.246 -8.281 -12.319 473 HD11 LEU 56 HD11 LEU 56 4.508 -6.560 -14.725 474 HD12 LEU 56 HD12 LEU 56 3.227 -7.773 -14.700 475 HD13 LEU 56 HD13 LEU 56 4.909 -8.262 -14.500 476 HD21 LEU 56 HD21 LEU 56 5.117 -5.472 -12.909 477 HD22 LEU 56 HD22 LEU 56 6.060 -6.806 -12.247 478 HD23 LEU 56 HD23 LEU 56 4.823 -6.026 -11.262 479 HA PRO 57 HA PRO 57 -0.956 -4.254 -11.272 480 HB2 PRO 57 HB2 PRO 57 -3.015 -6.065 -10.385 481 HB3 PRO 57 HB1 PRO 57 -2.873 -5.230 -11.931 482 HG2 PRO 57 HG2 PRO 57 -2.123 -7.984 -11.211 483 HG3 PRO 57 HG1 PRO 57 -2.482 -7.295 -12.803 484 HD2 PRO 57 HD2 PRO 57 0.011 -7.997 -12.083 485 HD3 PRO 57 HD1 PRO 57 -0.299 -6.595 -13.127 486 H LEU 58 H LEU 58 -0.422 -6.683 -8.769 487 HA LEU 58 HA LEU 58 -1.853 -5.572 -6.673 488 HB2 LEU 58 HB2 LEU 58 0.023 -7.611 -6.979 489 HB3 LEU 58 HB1 LEU 58 0.714 -6.545 -5.771 490 HG LEU 58 HG LEU 58 -1.979 -7.897 -5.640 491 HD11 LEU 58 HD11 LEU 58 -1.057 -9.146 -3.819 492 HD12 LEU 58 HD12 LEU 58 0.445 -8.228 -3.885 493 HD13 LEU 58 HD13 LEU 58 0.016 -9.313 -5.207 494 HD21 LEU 58 HD21 LEU 58 -2.608 -6.268 -4.266 495 HD22 LEU 58 HD22 LEU 58 -1.016 -5.514 -4.341 496 HD23 LEU 58 HD23 LEU 58 -1.336 -6.783 -3.158 497 H PHE 59 H PHE 59 1.240 -4.572 -8.003 498 HA PHE 59 HA PHE 59 1.954 -2.829 -5.878 499 HB2 PHE 59 HB2 PHE 59 2.789 -2.662 -8.780 500 HB3 PHE 59 HB1 PHE 59 3.609 -1.925 -7.409 501 HD1 PHE 59 HD1 PHE 59 3.737 -4.025 -5.444 502 HD2 PHE 59 HD2 PHE 59 4.179 -4.258 -9.671 503 HE1 PHE 59 HE1 PHE 59 5.120 -6.043 -5.183 504 HE2 PHE 59 HE2 PHE 59 5.562 -6.278 -9.416 505 HZ PHE 59 HZ PHE 59 6.034 -7.173 -7.172 506 H ASP 60 H ASP 60 0.483 -2.241 -9.062 507 HA ASP 60 HA ASP 60 0.047 0.538 -8.563 508 HB2 ASP 60 HB2 ASP 60 0.119 -0.971 -10.818 509 HB3 ASP 60 HB1 ASP 60 -1.620 -0.796 -10.607 510 H ALA 61 H ALA 61 -1.656 -2.368 -7.885 511 HA ALA 61 HA ALA 61 -4.273 -1.318 -7.660 512 HB1 ALA 61 HB1 ALA 61 -3.129 -3.702 -6.219 513 HB2 ALA 61 HB2 ALA 61 -3.678 -3.729 -7.895 514 HB3 ALA 61 HB3 ALA 61 -4.822 -3.388 -6.597 515 H ILE 62 H ILE 62 -1.733 -1.951 -5.254 516 HA ILE 62 HA ILE 62 -3.265 -0.936 -3.070 517 HB ILE 62 HB ILE 62 -0.284 -1.364 -3.130 518 HG12 ILE 62 HG12 ILE 62 -2.260 -3.402 -2.153 519 HG13 ILE 62 HG11 ILE 62 -1.835 -3.337 -3.859 520 HG21 ILE 62 HG21 ILE 62 -0.862 -1.948 -0.669 521 HG22 ILE 62 HG22 ILE 62 -2.332 -1.023 -0.981 522 HG23 ILE 62 HG23 ILE 62 -0.754 -0.257 -1.157 523 HD11 ILE 62 HD11 ILE 62 -0.554 -4.873 -2.128 524 HD12 ILE 62 HD12 ILE 62 0.386 -3.397 -1.907 525 HD13 ILE 62 HD13 ILE 62 0.257 -4.130 -3.507 526 H ARG 63 H ARG 63 -0.797 0.432 -5.180 527 HA ARG 63 HA ARG 63 0.072 2.622 -3.857 528 HB2 ARG 63 HB2 ARG 63 0.172 1.794 -6.450 529 HB3 ARG 63 HB1 ARG 63 -0.774 3.267 -6.598 530 HG2 ARG 63 HG2 ARG 63 0.952 4.608 -5.828 531 HG3 ARG 63 HG1 ARG 63 1.794 3.257 -5.067 532 HD2 ARG 63 HD2 ARG 63 2.811 2.640 -6.987 533 HD3 ARG 63 HD1 ARG 63 1.413 3.049 -7.980 534 HE ARG 63 HE ARG 63 2.789 5.336 -6.912 535 HH11 ARG 63 HH11 ARG 63 2.661 3.037 -9.536 536 HH12 ARG 63 HH12 ARG 63 3.459 4.086 -10.659 537 HH21 ARG 63 HH21 ARG 63 3.839 6.718 -8.390 538 HH22 ARG 63 HH22 ARG 63 4.127 6.174 -10.009 539 HA PRO 64 HA PRO 64 -3.956 5.156 -5.512 540 HB2 PRO 64 HB2 PRO 64 -5.699 2.840 -4.758 541 HB3 PRO 64 HB1 PRO 64 -5.978 4.111 -5.956 542 HG2 PRO 64 HG2 PRO 64 -5.150 1.674 -6.686 543 HG3 PRO 64 HG1 PRO 64 -4.583 3.133 -7.516 544 HD2 PRO 64 HD2 PRO 64 -3.130 1.331 -5.685 545 HD3 PRO 64 HD1 PRO 64 -2.502 2.428 -6.927 546 H LEU 65 H LEU 65 -4.496 2.692 -2.959 547 HA LEU 65 HA LEU 65 -5.601 4.636 -1.173 548 HB2 LEU 65 HB2 LEU 65 -5.554 2.804 0.494 549 HB3 LEU 65 HB1 LEU 65 -6.386 2.390 -0.991 550 HG LEU 65 HG LEU 65 -3.537 1.636 -0.893 551 HD11 LEU 65 HD11 LEU 65 -3.794 -0.207 0.569 552 HD12 LEU 65 HD12 LEU 65 -5.530 0.067 0.721 553 HD13 LEU 65 HD13 LEU 65 -4.391 1.209 1.435 554 HD21 LEU 65 HD21 LEU 65 -4.477 0.727 -2.742 555 HD22 LEU 65 HD22 LEU 65 -6.090 0.684 -2.031 556 HD23 LEU 65 HD23 LEU 65 -4.908 -0.556 -1.613 557 H ILE 66 H ILE 66 -2.432 3.414 -1.819 558 HA ILE 66 HA ILE 66 -1.198 4.057 0.636 559 HB ILE 66 HB ILE 66 -0.100 3.740 -2.155 560 HG12 ILE 66 HG12 ILE 66 0.126 2.031 0.330 561 HG13 ILE 66 HG11 ILE 66 -0.943 1.716 -1.032 562 HG21 ILE 66 HG21 ILE 66 1.616 5.008 -1.418 563 HG22 ILE 66 HG22 ILE 66 2.104 3.495 -0.656 564 HG23 ILE 66 HG23 ILE 66 1.246 4.718 0.282 565 HD11 ILE 66 HD11 ILE 66 1.800 2.041 -1.883 566 HD12 ILE 66 HD12 ILE 66 0.675 0.712 -2.169 567 HD13 ILE 66 HD13 ILE 66 1.624 0.758 -0.683 568 HA PRO 67 HA PRO 67 -1.374 8.534 0.585 569 HB2 PRO 67 HB2 PRO 67 1.063 8.800 1.981 570 HB3 PRO 67 HB1 PRO 67 -0.556 8.795 2.677 571 HG2 PRO 67 HG2 PRO 67 1.437 6.607 2.510 572 HG3 PRO 67 HG1 PRO 67 0.193 6.907 3.733 573 HD2 PRO 67 HD2 PRO 67 -0.051 4.950 1.905 574 HD3 PRO 67 HD1 PRO 67 -1.457 5.864 2.490 575 H LEU 68 H LEU 68 -0.226 10.286 -0.105 576 HA LEU 68 HA LEU 68 1.062 9.865 -2.551 577 HB2 LEU 68 HB2 LEU 68 0.584 12.019 -2.881 578 HB3 LEU 68 HB1 LEU 68 -0.433 11.759 -1.475 579 HG LEU 68 HG LEU 68 1.833 12.429 -0.263 580 HD11 LEU 68 HD11 LEU 68 1.887 13.828 -2.920 581 HD12 LEU 68 HD12 LEU 68 3.169 12.891 -2.152 582 HD13 LEU 68 HD13 LEU 68 2.709 14.461 -1.494 583 HD21 LEU 68 HD21 LEU 68 -0.299 13.428 0.212 584 HD22 LEU 68 HD22 LEU 68 -0.278 14.298 -1.322 585 HD23 LEU 68 HD23 LEU 68 0.876 14.714 -0.055 586 H LYS 69 H LYS 69 2.252 10.409 0.663 587 HA LYS 69 HA LYS 69 4.911 11.115 -0.193 588 HB2 LYS 69 HB2 LYS 69 5.490 10.950 2.198 589 HB3 LYS 69 HB1 LYS 69 4.083 11.968 1.930 590 HG2 LYS 69 HG2 LYS 69 2.785 9.728 2.402 591 HG3 LYS 69 HG1 LYS 69 4.282 9.311 3.236 592 HD2 LYS 69 HD2 LYS 69 3.343 10.366 4.983 593 HD3 LYS 69 HD1 LYS 69 3.848 11.836 4.147 594 HE2 LYS 69 HE2 LYS 69 1.672 12.385 4.355 595 HE3 LYS 69 HE1 LYS 69 1.493 11.375 2.922 596 HZ1 LYS 69 HZ1 LYS 69 1.275 9.525 4.780 597 HZ2 LYS 69 HZ2 LYS 69 -0.059 10.416 4.239 598 HZ3 LYS 69 HZ3 LYS 69 0.712 10.843 5.683 599 H HIS 70 H HIS 70 3.357 8.268 1.242 600 HA HIS 70 HA HIS 70 5.668 6.632 1.187 601 HB2 HIS 70 HB2 HIS 70 2.730 5.916 1.267 602 HB3 HIS 70 HB1 HIS 70 4.034 4.749 1.454 603 HD1 HIS 70 HD1 HIS 70 2.326 4.734 3.787 604 HD2 HIS 70 HD2 HIS 70 5.296 7.610 3.378 605 HE1 HIS 70 HE1 HIS 70 2.783 5.562 6.116 606 HE2 HIS 70 HE2 HIS 70 4.503 7.381 5.830 607 H GLN 71 H GLN 71 3.324 7.552 -1.192 608 HA GLN 71 HA GLN 71 3.600 5.424 -3.004 609 HB2 GLN 71 HB2 GLN 71 2.607 8.203 -3.099 610 HB3 GLN 71 HB1 GLN 71 3.153 7.554 -4.640 611 HG2 GLN 71 HG2 GLN 71 1.649 5.602 -4.267 612 HG3 GLN 71 HG1 GLN 71 1.020 6.431 -2.844 613 HE21 GLN 71 HE21 GLN 71 -0.545 5.656 -5.030 614 HE22 GLN 71 HE22 GLN 71 -1.152 7.079 -5.800 615 H VAL 72 H VAL 72 5.307 8.535 -2.789 616 HA VAL 72 HA VAL 72 7.054 8.094 -4.957 617 HB VAL 72 HB VAL 72 7.828 9.693 -2.541 618 HG11 VAL 72 HG11 VAL 72 8.245 10.479 -5.392 619 HG12 VAL 72 HG12 VAL 72 9.292 9.269 -4.647 620 HG13 VAL 72 HG13 VAL 72 9.195 10.892 -3.964 621 HG21 VAL 72 HG21 VAL 72 5.725 10.325 -4.579 622 HG22 VAL 72 HG22 VAL 72 6.653 11.616 -3.817 623 HG23 VAL 72 HG23 VAL 72 5.677 10.531 -2.827 624 H GLU 73 H GLU 73 7.562 7.724 -1.439 625 HA GLU 73 HA GLU 73 10.146 6.637 -1.610 626 HB2 GLU 73 HB2 GLU 73 8.622 7.392 0.454 627 HB3 GLU 73 HB1 GLU 73 8.316 5.663 0.535 628 HG2 GLU 73 HG2 GLU 73 10.246 5.329 1.551 629 HG3 GLU 73 HG1 GLU 73 11.118 6.097 0.224 630 H TYR 74 H TYR 74 6.979 5.206 -1.937 631 HA TYR 74 HA TYR 74 7.735 2.491 -1.827 632 HB2 TYR 74 HB2 TYR 74 5.385 3.218 -1.707 633 HB3 TYR 74 HB1 TYR 74 5.473 3.798 -3.366 634 HD1 TYR 74 HD1 TYR 74 5.744 0.718 -1.299 635 HD2 TYR 74 HD2 TYR 74 4.971 2.365 -5.145 636 HE1 TYR 74 HE1 TYR 74 5.027 -1.494 -2.096 637 HE2 TYR 74 HE2 TYR 74 4.251 0.156 -5.953 638 HH TYR 74 HH TYR 74 3.229 -2.068 -4.559 639 H ASP 75 H ASP 75 7.783 4.945 -4.318 640 HA ASP 75 HA ASP 75 8.428 3.167 -6.468 641 HB2 ASP 75 HB2 ASP 75 8.249 6.111 -6.091 642 HB3 ASP 75 HB1 ASP 75 9.283 5.540 -7.396 643 H GLN 76 H GLN 76 10.231 5.108 -4.149 644 HA GLN 76 HA GLN 76 12.774 4.837 -5.362 645 HB2 GLN 76 HB2 GLN 76 11.915 5.406 -2.528 646 HB3 GLN 76 HB1 GLN 76 13.606 5.349 -3.007 647 HG2 GLN 76 HG2 GLN 76 13.179 7.140 -4.637 648 HG3 GLN 76 HG1 GLN 76 11.509 7.222 -4.081 649 HE21 GLN 76 HE21 GLN 76 11.483 9.214 -3.212 650 HE22 GLN 76 HE22 GLN 76 12.471 9.719 -1.887 651 H LEU 77 H LEU 77 10.906 2.800 -3.224 652 HA LEU 77 HA LEU 77 13.077 1.050 -2.561 653 HB2 LEU 77 HB2 LEU 77 10.106 0.957 -2.168 654 HB3 LEU 77 HB1 LEU 77 11.095 -0.449 -1.826 655 HG LEU 77 HG LEU 77 11.598 2.235 -0.553 656 HD11 LEU 77 HD11 LEU 77 9.308 0.814 -0.164 657 HD12 LEU 77 HD12 LEU 77 10.049 1.885 1.025 658 HD13 LEU 77 HD13 LEU 77 10.360 0.151 1.086 659 HD21 LEU 77 HD21 LEU 77 13.497 0.792 -0.452 660 HD22 LEU 77 HD22 LEU 77 12.501 -0.575 0.046 661 HD23 LEU 77 HD23 LEU 77 12.736 0.790 1.138 662 H THR 78 H THR 78 10.393 0.991 -4.850 663 HA THR 78 HA THR 78 10.638 -1.605 -5.800 664 HB THR 78 HB THR 78 9.904 -0.333 -8.056 665 HG1 THR 78 HG1 THR 78 10.233 1.735 -7.290 666 HG21 THR 78 HG21 THR 78 7.930 -1.197 -7.577 667 HG22 THR 78 HG22 THR 78 7.703 -0.075 -6.235 668 HG23 THR 78 HG23 THR 78 8.552 -1.601 -5.977 669 HA PRO 79 HA PRO 79 14.403 -1.992 -8.028 670 HB2 PRO 79 HB2 PRO 79 13.515 -3.139 -10.390 671 HB3 PRO 79 HB1 PRO 79 13.851 -4.020 -8.896 672 HG2 PRO 79 HG2 PRO 79 11.242 -3.072 -9.994 673 HG3 PRO 79 HG1 PRO 79 11.624 -4.583 -9.148 674 HD2 PRO 79 HD2 PRO 79 10.373 -2.555 -7.912 675 HD3 PRO 79 HD1 PRO 79 11.548 -3.579 -7.061 676 H ARG 80 H ARG 80 12.105 -1.445 -10.683 677 HA ARG 80 HA ARG 80 13.246 1.178 -11.204 678 HB2 ARG 80 HB2 ARG 80 14.243 -1.074 -12.533 679 HB3 ARG 80 HB1 ARG 80 13.155 -0.317 -13.687 680 HG2 ARG 80 HG2 ARG 80 14.453 1.861 -12.934 681 HG3 ARG 80 HG1 ARG 80 15.702 0.677 -12.541 682 HD2 ARG 80 HD2 ARG 80 14.891 -0.147 -15.016 683 HD3 ARG 80 HD1 ARG 80 14.731 1.604 -15.144 684 HE ARG 80 HE ARG 80 17.138 0.141 -15.167 685 HH11 ARG 80 HH11 ARG 80 15.768 3.074 -13.863 686 HH12 ARG 80 HH12 ARG 80 17.287 3.902 -13.797 687 HH21 ARG 80 HH21 ARG 80 19.138 1.229 -15.081 688 HH22 ARG 80 HH22 ARG 80 19.201 2.855 -14.488 689 H1 ASP 100 H ASP 100 -7.232 14.660 4.438 690 HA ASP 100 HA ASP 100 -7.824 13.187 2.810 691 HB2 ASP 100 HB2 ASP 100 -7.228 15.445 1.517 692 HB3 ASP 100 HB1 ASP 100 -5.969 14.421 0.833 693 H ASP 101 H ASP 101 -5.772 12.348 4.501 694 HA ASP 101 HA ASP 101 -4.594 10.284 2.878 695 HB2 ASP 101 HB2 ASP 101 -2.964 12.543 3.941 696 HB3 ASP 101 HB1 ASP 101 -2.271 10.925 4.016 697 H ASP 102 H ASP 102 -3.357 8.712 4.227 698 HA ASP 102 HA ASP 102 -3.265 7.281 5.993 699 HB2 ASP 102 HB2 ASP 102 -3.657 9.820 7.594 700 HB3 ASP 102 HB1 ASP 102 -3.133 8.273 8.252 701 H ARG 103 H ARG 103 -5.601 7.101 4.788 702 HA ARG 103 HA ARG 103 -7.431 6.538 6.974 703 HB2 ARG 103 HB2 ARG 103 -7.931 8.871 6.146 704 HB3 ARG 103 HB1 ARG 103 -8.378 8.151 4.606 705 HG2 ARG 103 HG2 ARG 103 -10.434 7.926 5.397 706 HG3 ARG 103 HG1 ARG 103 -9.808 6.708 6.511 707 HD2 ARG 103 HD2 ARG 103 -9.134 8.944 7.844 708 HD3 ARG 103 HD1 ARG 103 -10.568 9.520 6.997 709 HE ARG 103 HE ARG 103 -10.941 7.000 8.330 710 HH11 ARG 103 HH11 ARG 103 -11.034 10.470 8.690 711 HH12 ARG 103 HH12 ARG 103 -12.134 10.428 10.027 712 HH21 ARG 103 HH21 ARG 103 -12.390 6.943 10.088 713 HH22 ARG 103 HH22 ARG 103 -12.903 8.426 10.821 714 H TYR 104 H TYR 104 -6.903 6.471 3.464 715 HA TYR 104 HA TYR 104 -8.766 4.549 2.756 716 HB2 TYR 104 HB2 TYR 104 -6.050 5.192 1.618 717 HB3 TYR 104 HB1 TYR 104 -7.111 3.993 0.889 718 HD1 TYR 104 HD1 TYR 104 -9.729 5.132 0.961 719 HD2 TYR 104 HD2 TYR 104 -6.011 7.093 0.315 720 HE1 TYR 104 HE1 TYR 104 -10.891 6.911 -0.278 721 HE2 TYR 104 HE2 TYR 104 -7.161 8.878 -0.926 722 HH TYR 104 HH TYR 104 -9.238 9.222 -2.157 723 H LEU 105 H LEU 105 -5.354 4.022 3.651 724 HA LEU 105 HA LEU 105 -5.384 1.234 3.493 725 HB2 LEU 105 HB2 LEU 105 -3.596 3.272 4.405 726 HB3 LEU 105 HB1 LEU 105 -3.641 1.992 5.602 727 HG LEU 105 HG LEU 105 -3.353 0.520 3.350 728 HD11 LEU 105 HD11 LEU 105 -1.561 2.855 2.817 729 HD12 LEU 105 HD12 LEU 105 -3.183 2.789 2.128 730 HD13 LEU 105 HD13 LEU 105 -2.013 1.525 1.751 731 HD21 LEU 105 HD21 LEU 105 -1.941 0.934 5.601 732 HD22 LEU 105 HD22 LEU 105 -0.831 1.617 4.414 733 HD23 LEU 105 HD23 LEU 105 -1.370 -0.056 4.259 734 H ARG 106 H ARG 106 -5.831 3.323 6.341 735 HA ARG 106 HA ARG 106 -6.325 1.285 8.190 736 HB2 ARG 106 HB2 ARG 106 -6.828 4.206 8.057 737 HB3 ARG 106 HB1 ARG 106 -7.758 3.300 9.244 738 HG2 ARG 106 HG2 ARG 106 -5.813 2.589 10.370 739 HG3 ARG 106 HG1 ARG 106 -4.768 3.109 9.048 740 HD2 ARG 106 HD2 ARG 106 -4.518 4.762 10.688 741 HD3 ARG 106 HD1 ARG 106 -5.628 5.462 9.513 742 HE ARG 106 HE ARG 106 -6.242 4.637 12.231 743 HH11 ARG 106 HH11 ARG 106 -7.463 5.713 9.139 744 HH12 ARG 106 HH12 ARG 106 -8.984 6.226 9.781 745 HH21 ARG 106 HH21 ARG 106 -8.244 5.312 13.070 746 HH22 ARG 106 HH22 ARG 106 -9.430 5.999 12.010 747 H GLU 107 H GLU 107 -8.443 2.913 5.913 748 HA GLU 107 HA GLU 107 -10.917 2.122 6.945 749 HB2 GLU 107 HB2 GLU 107 -9.970 3.432 4.630 750 HB3 GLU 107 HB1 GLU 107 -10.975 2.102 4.068 751 HG2 GLU 107 HG2 GLU 107 -12.753 2.924 5.642 752 HG3 GLU 107 HG1 GLU 107 -11.756 4.355 5.894 753 H ALA 108 H ALA 108 -9.066 0.591 4.301 754 HA ALA 108 HA ALA 108 -10.733 -1.716 4.223 755 HB1 ALA 108 HB1 ALA 108 -8.543 -2.584 2.969 756 HB2 ALA 108 HB2 ALA 108 -8.219 -0.851 2.916 757 HB3 ALA 108 HB3 ALA 108 -9.704 -1.494 2.213 758 H ILE 109 H ILE 109 -7.606 -0.992 5.697 759 HA ILE 109 HA ILE 109 -6.906 -3.541 6.565 760 HB ILE 109 HB ILE 109 -6.315 -0.813 7.699 761 HG12 ILE 109 HG12 ILE 109 -4.495 -2.825 6.371 762 HG13 ILE 109 HG11 ILE 109 -5.347 -1.561 5.491 763 HG21 ILE 109 HG21 ILE 109 -4.434 -2.180 8.911 764 HG22 ILE 109 HG22 ILE 109 -5.612 -3.488 8.805 765 HG23 ILE 109 HG23 ILE 109 -6.026 -1.993 9.644 766 HD11 ILE 109 HD11 ILE 109 -4.080 -0.205 7.536 767 HD12 ILE 109 HD12 ILE 109 -3.566 -0.293 5.851 768 HD13 ILE 109 HD13 ILE 109 -2.910 -1.425 7.033 769 H GLN 110 H GLN 110 -8.612 -1.000 8.415 770 HA GLN 110 HA GLN 110 -9.146 -2.631 10.646 771 HB2 GLN 110 HB2 GLN 110 -10.282 -0.052 9.625 772 HB3 GLN 110 HB1 GLN 110 -11.055 -0.868 10.978 773 HG2 GLN 110 HG2 GLN 110 -9.148 -0.648 12.335 774 HG3 GLN 110 HG1 GLN 110 -8.129 -0.204 10.966 775 HE21 GLN 110 HE21 GLN 110 -9.950 0.929 13.528 776 HE22 GLN 110 HE22 GLN 110 -10.020 2.598 13.084 777 H GLU 111 H GLU 111 -10.892 -2.080 7.650 778 HA GLU 111 HA GLU 111 -13.353 -3.187 8.312 779 HB2 GLU 111 HB2 GLU 111 -12.421 -2.129 6.066 780 HB3 GLU 111 HB1 GLU 111 -12.160 -3.816 5.646 781 HG2 GLU 111 HG2 GLU 111 -14.701 -3.921 6.545 782 HG3 GLU 111 HG1 GLU 111 -14.655 -2.287 5.885 783 H TYR 112 H TYR 112 -10.367 -4.745 7.271 784 HA TYR 112 HA TYR 112 -11.439 -7.384 7.283 785 HB2 TYR 112 HB2 TYR 112 -9.232 -6.404 6.185 786 HB3 TYR 112 HB1 TYR 112 -8.523 -6.889 7.722 787 HD1 TYR 112 HD1 TYR 112 -10.714 -8.271 5.027 788 HD2 TYR 112 HD2 TYR 112 -7.669 -9.029 7.901 789 HE1 TYR 112 HE1 TYR 112 -10.513 -10.577 4.197 790 HE2 TYR 112 HE2 TYR 112 -7.459 -11.336 7.077 791 HH TYR 112 HH TYR 112 -9.211 -12.995 5.780 792 H ASP 113 H ASP 113 -9.845 -5.319 9.636 793 HA ASP 113 HA ASP 113 -9.338 -7.255 11.608 794 HB2 ASP 113 HB2 ASP 113 -9.662 -4.296 11.569 795 HB3 ASP 113 HB1 ASP 113 -9.813 -5.096 13.130 796 H ASN 114 H ASN 114 -12.238 -5.634 10.592 797 HA ASN 114 HA ASN 114 -13.781 -6.437 12.894 798 HB2 ASN 114 HB2 ASN 114 -14.137 -4.348 11.398 799 HB3 ASN 114 HB1 ASN 114 -14.953 -5.461 10.304 800 HD21 ASN 114 HD21 ASN 114 -16.738 -6.715 11.209 801 HD22 ASN 114 HD22 ASN 114 -17.730 -5.987 12.421 802 H ILE 115 H ILE 115 -13.280 -7.524 9.581 803 HA ILE 115 HA ILE 115 -15.391 -9.361 9.425 804 HB ILE 115 HB ILE 115 -12.680 -9.491 8.098 805 HG12 ILE 115 HG12 ILE 115 -15.252 -8.623 6.812 806 HG13 ILE 115 HG11 ILE 115 -14.283 -7.477 7.732 807 HG21 ILE 115 HG21 ILE 115 -13.744 -10.971 6.469 808 HG22 ILE 115 HG22 ILE 115 -15.234 -10.939 7.411 809 HG23 ILE 115 HG23 ILE 115 -13.777 -11.667 8.090 810 HD11 ILE 115 HD11 ILE 115 -13.880 -8.547 5.064 811 HD12 ILE 115 HD12 ILE 115 -12.437 -8.643 6.074 812 HD13 ILE 115 HD13 ILE 115 -13.229 -7.090 5.814 813 H ALA 116 H ALA 116 -12.141 -9.659 10.742 814 HA ALA 116 HA ALA 116 -11.115 -11.277 11.977 815 HB1 ALA 116 HB1 ALA 116 -13.918 -12.005 12.814 816 HB2 ALA 116 HB2 ALA 116 -12.997 -10.657 13.481 817 HB3 ALA 116 HB3 ALA 116 -12.424 -12.312 13.700 818 H LYS 117 H LYS 117 -10.454 -12.393 10.041 819 HA LYS 117 HA LYS 117 -12.030 -14.612 9.088 820 HB2 LYS 117 HB2 LYS 117 -10.145 -15.026 7.576 821 HB3 LYS 117 HB1 LYS 117 -10.639 -13.339 7.533 822 HG2 LYS 117 HG2 LYS 117 -8.418 -13.000 7.676 823 HG3 LYS 117 HG1 LYS 117 -8.733 -13.181 9.403 824 HD2 LYS 117 HD2 LYS 117 -8.339 -15.718 8.912 825 HD3 LYS 117 HD1 LYS 117 -7.499 -15.111 7.484 826 HE2 LYS 117 HE2 LYS 117 -6.201 -13.613 9.070 827 HE3 LYS 117 HE1 LYS 117 -6.873 -14.586 10.377 828 HZ1 LYS 117 HZ1 LYS 117 -5.574 -16.337 9.863 829 HZ2 LYS 117 HZ2 LYS 117 -4.580 -15.150 9.183 830 HZ3 LYS 117 HZ3 LYS 117 -5.621 -16.047 8.197 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -18.452 7.813 1.833 2 H2 MET 1 HT2 MET 1 -19.938 7.306 2.526 3 H3 MET 1 HT3 MET 1 -18.825 6.143 1.929 4 HA MET 1 HA MET 1 -18.115 8.013 4.067 5 HB2 MET 1 HB2 MET 1 -19.853 5.606 4.123 6 HB3 MET 1 HB1 MET 1 -18.648 5.733 5.398 7 HG2 MET 1 HG2 MET 1 -19.727 7.401 6.433 8 HG3 MET 1 HG1 MET 1 -20.197 8.176 4.921 9 HE1 MET 1 HE1 MET 1 -21.863 4.881 7.297 10 HE2 MET 1 HE2 MET 1 -20.411 4.788 6.301 11 HE3 MET 1 HE3 MET 1 -21.954 4.214 5.666 12 H ASP 2 H ASP 2 -16.695 6.847 1.752 13 HA ASP 2 HA ASP 2 -14.707 5.851 1.278 14 HB2 ASP 2 HB2 ASP 2 -14.432 6.477 4.197 15 HB3 ASP 2 HB1 ASP 2 -13.178 5.540 3.389 16 H ARG 3 H ARG 3 -17.021 4.195 1.851 17 HA ARG 3 HA ARG 3 -15.874 1.833 3.125 18 HB2 ARG 3 HB2 ARG 3 -18.169 2.551 3.731 19 HB3 ARG 3 HB1 ARG 3 -18.669 2.280 2.068 20 HG2 ARG 3 HG2 ARG 3 -17.806 -0.123 2.439 21 HG3 ARG 3 HG1 ARG 3 -17.906 0.282 4.154 22 HD2 ARG 3 HD2 ARG 3 -20.201 0.489 4.110 23 HD3 ARG 3 HD1 ARG 3 -20.240 0.836 2.381 24 HE ARG 3 HE ARG 3 -20.346 -1.414 1.961 25 HH11 ARG 3 HH11 ARG 3 -19.416 -0.919 5.288 26 HH12 ARG 3 HH12 ARG 3 -19.569 -2.591 5.711 27 HH21 ARG 3 HH21 ARG 3 -20.549 -3.613 2.514 28 HH22 ARG 3 HH22 ARG 3 -20.213 -4.122 4.136 29 H LYS 4 H LYS 4 -16.903 3.026 0.004 30 HA LYS 4 HA LYS 4 -16.839 0.526 -1.346 31 HB2 LYS 4 HB2 LYS 4 -17.027 3.383 -2.127 32 HB3 LYS 4 HB1 LYS 4 -16.437 2.270 -3.354 33 HG2 LYS 4 HG2 LYS 4 -18.819 2.561 -3.576 34 HG3 LYS 4 HG1 LYS 4 -18.461 0.908 -3.071 35 HD2 LYS 4 HD2 LYS 4 -18.783 2.485 -0.732 36 HD3 LYS 4 HD1 LYS 4 -20.135 2.836 -1.809 37 HE2 LYS 4 HE2 LYS 4 -20.025 0.147 -2.019 38 HE3 LYS 4 HE1 LYS 4 -19.446 0.358 -0.369 39 HZ1 LYS 4 HZ1 LYS 4 -22.020 0.217 -1.021 40 HZ2 LYS 4 HZ2 LYS 4 -21.802 1.893 -1.082 41 HZ3 LYS 4 HZ3 LYS 4 -21.450 1.048 0.339 42 H VAL 5 H VAL 5 -14.428 2.954 -0.604 43 HA VAL 5 HA VAL 5 -12.426 2.298 -2.404 44 HB VAL 5 HB VAL 5 -11.987 2.990 0.506 45 HG11 VAL 5 HG11 VAL 5 -10.036 2.154 -0.882 46 HG12 VAL 5 HG12 VAL 5 -9.835 3.730 -0.117 47 HG13 VAL 5 HG13 VAL 5 -10.214 3.626 -1.837 48 HG21 VAL 5 HG21 VAL 5 -12.581 5.113 0.125 49 HG22 VAL 5 HG22 VAL 5 -13.404 4.492 -1.306 50 HG23 VAL 5 HG23 VAL 5 -11.774 5.151 -1.442 51 H ALA 6 H ALA 6 -13.438 0.681 0.535 52 HA ALA 6 HA ALA 6 -11.264 -1.166 0.623 53 HB1 ALA 6 HB1 ALA 6 -13.981 -1.296 1.929 54 HB2 ALA 6 HB2 ALA 6 -12.517 -0.610 2.634 55 HB3 ALA 6 HB3 ALA 6 -12.608 -2.340 2.306 56 H ARG 7 H ARG 7 -14.494 -1.165 -0.772 57 HA ARG 7 HA ARG 7 -14.564 -3.918 -1.447 58 HB2 ARG 7 HB2 ARG 7 -16.412 -1.954 -1.442 59 HB3 ARG 7 HB1 ARG 7 -16.038 -2.002 -3.160 60 HG2 ARG 7 HG2 ARG 7 -16.931 -4.077 -3.442 61 HG3 ARG 7 HG1 ARG 7 -16.583 -4.575 -1.786 62 HD2 ARG 7 HD2 ARG 7 -18.666 -4.086 -1.197 63 HD3 ARG 7 HD1 ARG 7 -18.415 -2.409 -1.681 64 HE ARG 7 HE ARG 7 -19.887 -4.407 -3.099 65 HH11 ARG 7 HH11 ARG 7 -17.975 -1.513 -3.483 66 HH12 ARG 7 HH12 ARG 7 -18.720 -1.069 -4.983 67 HH21 ARG 7 HH21 ARG 7 -20.867 -3.827 -5.070 68 HH22 ARG 7 HH22 ARG 7 -20.363 -2.382 -5.884 69 H GLU 8 H GLU 8 -13.383 -1.056 -3.103 70 HA GLU 8 HA GLU 8 -12.935 -2.368 -5.597 71 HB2 GLU 8 HB2 GLU 8 -12.343 0.280 -4.423 72 HB3 GLU 8 HB1 GLU 8 -11.236 -0.253 -5.682 73 HG2 GLU 8 HG2 GLU 8 -13.163 -0.611 -7.179 74 HG3 GLU 8 HG1 GLU 8 -14.224 0.022 -5.923 75 H PHE 9 H PHE 9 -10.815 -1.424 -2.904 76 HA PHE 9 HA PHE 9 -8.451 -2.506 -3.988 77 HB2 PHE 9 HB2 PHE 9 -8.477 -0.894 -2.114 78 HB3 PHE 9 HB1 PHE 9 -9.191 -2.124 -1.076 79 HD1 PHE 9 HD2 PHE 9 -6.270 -1.833 -3.390 80 HD2 PHE 9 HD1 PHE 9 -7.752 -3.136 0.381 81 HE1 PHE 9 HE2 PHE 9 -4.018 -2.614 -2.779 82 HE2 PHE 9 HE1 PHE 9 -5.502 -3.919 0.999 83 HZ PHE 9 HZ PHE 9 -3.632 -3.659 -0.583 84 H ARG 10 H ARG 10 -11.041 -3.863 -2.052 85 HA ARG 10 HA ARG 10 -9.743 -6.354 -1.535 86 HB2 ARG 10 HB2 ARG 10 -12.525 -5.298 -1.217 87 HB3 ARG 10 HB1 ARG 10 -12.250 -7.029 -1.109 88 HG2 ARG 10 HG2 ARG 10 -10.430 -6.397 0.612 89 HG3 ARG 10 HG1 ARG 10 -11.277 -4.850 0.686 90 HD2 ARG 10 HD2 ARG 10 -12.535 -7.550 1.137 91 HD3 ARG 10 HD1 ARG 10 -12.043 -6.438 2.413 92 HE ARG 10 HE ARG 10 -13.688 -4.860 1.186 93 HH11 ARG 10 HH11 ARG 10 -14.105 -8.306 1.616 94 HH12 ARG 10 HH12 ARG 10 -15.832 -8.221 1.582 95 HH21 ARG 10 HH21 ARG 10 -15.957 -4.758 1.145 96 HH22 ARG 10 HH22 ARG 10 -16.883 -6.213 1.315 97 H HIS 11 H HIS 11 -12.315 -5.334 -3.783 98 HA HIS 11 HA HIS 11 -12.639 -7.825 -5.033 99 HB2 HIS 11 HB2 HIS 11 -14.123 -5.728 -5.196 100 HB3 HIS 11 HB1 HIS 11 -13.016 -5.197 -6.457 101 HD1 HIS 11 HD1 HIS 11 -15.909 -5.672 -7.202 102 HD2 HIS 11 HD2 HIS 11 -12.994 -8.625 -7.414 103 HE1 HIS 11 HE1 HIS 11 -16.777 -7.356 -8.858 104 HE2 HIS 11 HE2 HIS 11 -15.029 -9.169 -8.916 105 H LYS 12 H LYS 12 -10.521 -5.095 -5.816 106 HA LYS 12 HA LYS 12 -9.496 -6.089 -8.224 107 HB2 LYS 12 HB2 LYS 12 -8.705 -4.050 -6.249 108 HB3 LYS 12 HB1 LYS 12 -7.377 -4.713 -7.188 109 HG2 LYS 12 HG2 LYS 12 -9.792 -3.890 -8.682 110 HG3 LYS 12 HG1 LYS 12 -8.799 -2.611 -7.982 111 HD2 LYS 12 HD2 LYS 12 -6.815 -3.779 -9.077 112 HD3 LYS 12 HD1 LYS 12 -8.009 -4.702 -9.992 113 HE2 LYS 12 HE2 LYS 12 -7.485 -2.913 -11.396 114 HE3 LYS 12 HE1 LYS 12 -8.996 -2.424 -10.630 115 HZ1 LYS 12 HZ1 LYS 12 -7.825 -0.547 -10.271 116 HZ2 LYS 12 HZ2 LYS 12 -6.321 -1.317 -10.335 117 HZ3 LYS 12 HZ3 LYS 12 -7.250 -1.395 -8.925 118 H VAL 13 H VAL 13 -8.035 -6.247 -4.970 119 HA VAL 13 HA VAL 13 -5.891 -7.889 -5.588 120 HB VAL 13 HB VAL 13 -7.460 -7.900 -3.005 121 HG11 VAL 13 HG11 VAL 13 -5.470 -8.734 -1.964 122 HG12 VAL 13 HG12 VAL 13 -4.568 -8.607 -3.473 123 HG13 VAL 13 HG13 VAL 13 -5.866 -9.791 -3.319 124 HG21 VAL 13 HG21 VAL 13 -4.955 -6.374 -3.190 125 HG22 VAL 13 HG22 VAL 13 -6.473 -5.976 -2.386 126 HG23 VAL 13 HG23 VAL 13 -6.303 -5.724 -4.123 127 H ASP 14 H ASP 14 -9.231 -8.734 -4.864 128 HA ASP 14 HA ASP 14 -8.767 -11.550 -4.769 129 HB2 ASP 14 HB2 ASP 14 -10.725 -10.280 -3.731 130 HB3 ASP 14 HB1 ASP 14 -11.409 -10.214 -5.352 131 H PHE 15 H PHE 15 -9.444 -9.244 -7.293 132 HA PHE 15 HA PHE 15 -10.306 -11.113 -9.256 133 HB2 PHE 15 HB2 PHE 15 -9.803 -8.267 -9.098 134 HB3 PHE 15 HB1 PHE 15 -9.146 -8.931 -10.590 135 HD1 PHE 15 HD2 PHE 15 -11.008 -10.974 -11.360 136 HD2 PHE 15 HD1 PHE 15 -11.768 -7.183 -9.579 137 HE1 PHE 15 HE2 PHE 15 -13.259 -10.962 -12.353 138 HE2 PHE 15 HE1 PHE 15 -14.019 -7.164 -10.569 139 HZ PHE 15 HZ PHE 15 -14.768 -9.055 -11.959 140 H LEU 16 H LEU 16 -7.216 -9.966 -8.149 141 HA LEU 16 HA LEU 16 -5.809 -11.253 -10.351 142 HB2 LEU 16 HB2 LEU 16 -4.361 -10.017 -8.070 143 HB3 LEU 16 HB1 LEU 16 -3.963 -10.020 -9.777 144 HG LEU 16 HG LEU 16 -6.367 -8.474 -8.947 145 HD11 LEU 16 HD11 LEU 16 -4.318 -8.087 -7.345 146 HD12 LEU 16 HD12 LEU 16 -5.267 -6.734 -7.958 147 HD13 LEU 16 HD13 LEU 16 -3.721 -7.136 -8.705 148 HD21 LEU 16 HD21 LEU 16 -4.925 -6.928 -10.622 149 HD22 LEU 16 HD22 LEU 16 -6.094 -8.134 -11.159 150 HD23 LEU 16 HD23 LEU 16 -4.377 -8.528 -11.118 151 H ILE 17 H ILE 17 -5.914 -11.416 -6.813 152 HA ILE 17 HA ILE 17 -4.233 -13.723 -6.672 153 HB ILE 17 HB ILE 17 -5.908 -12.257 -4.655 154 HG12 ILE 17 HG12 ILE 17 -3.609 -12.056 -3.597 155 HG13 ILE 17 HG11 ILE 17 -2.969 -12.725 -5.093 156 HG21 ILE 17 HG21 ILE 17 -4.431 -13.957 -3.127 157 HG22 ILE 17 HG22 ILE 17 -4.900 -15.006 -4.464 158 HG23 ILE 17 HG23 ILE 17 -6.136 -14.179 -3.513 159 HD11 ILE 17 HD11 ILE 17 -3.892 -10.845 -6.335 160 HD12 ILE 17 HD12 ILE 17 -2.807 -10.300 -5.057 161 HD13 ILE 17 HD13 ILE 17 -4.553 -10.180 -4.842 162 H GLU 18 H GLU 18 -7.703 -13.218 -6.181 163 HA GLU 18 HA GLU 18 -9.451 -14.614 -6.208 164 HB2 GLU 18 HB2 GLU 18 -7.910 -16.405 -8.023 165 HB3 GLU 18 HB1 GLU 18 -9.628 -16.031 -8.044 166 HG2 GLU 18 HG2 GLU 18 -8.232 -13.614 -8.458 167 HG3 GLU 18 HG1 GLU 18 -7.511 -14.831 -9.510 168 H ASN 19 H ASN 19 -6.772 -15.383 -4.752 169 HA ASN 19 HA ASN 19 -7.661 -18.043 -3.886 170 HB2 ASN 19 HB2 ASN 19 -4.915 -16.817 -3.578 171 HB3 ASN 19 HB1 ASN 19 -5.377 -18.464 -3.161 172 HD21 ASN 19 HD21 ASN 19 -6.714 -19.407 -5.208 173 HD22 ASN 19 HD22 ASN 19 -5.789 -19.361 -6.667 174 H ASP 20 H ASP 20 -7.396 -18.559 -1.594 175 HA ASP 20 HA ASP 20 -8.159 -16.279 0.053 176 HB2 ASP 20 HB2 ASP 20 -9.329 -18.638 -0.067 177 HB3 ASP 20 HB1 ASP 20 -8.083 -19.082 1.093 178 H ALA 21 H ALA 21 -5.783 -18.914 0.032 179 HA ALA 21 HA ALA 21 -4.471 -18.278 2.411 180 HB1 ALA 21 HB1 ALA 21 -4.100 -20.379 1.257 181 HB2 ALA 21 HB2 ALA 21 -2.569 -19.541 1.502 182 HB3 ALA 21 HB3 ALA 21 -3.337 -19.529 -0.087 183 H GLU 22 H GLU 22 -3.913 -17.135 -0.882 184 HA GLU 22 HA GLU 22 -1.620 -15.590 -0.302 185 HB2 GLU 22 HB2 GLU 22 -3.601 -15.671 -2.541 186 HB3 GLU 22 HB1 GLU 22 -2.479 -14.320 -2.444 187 HG2 GLU 22 HG2 GLU 22 -1.604 -16.020 -3.907 188 HG3 GLU 22 HG1 GLU 22 -0.599 -15.891 -2.465 189 H LYS 23 H LYS 23 -5.064 -14.738 -0.523 190 HA LYS 23 HA LYS 23 -4.750 -11.994 0.029 191 HB2 LYS 23 HB2 LYS 23 -6.836 -13.422 -0.770 192 HB3 LYS 23 HB1 LYS 23 -7.190 -13.446 0.953 193 HG2 LYS 23 HG2 LYS 23 -6.978 -10.923 0.887 194 HG3 LYS 23 HG1 LYS 23 -6.996 -11.071 -0.872 195 HD2 LYS 23 HD2 LYS 23 -9.141 -12.115 0.977 196 HD3 LYS 23 HD1 LYS 23 -9.231 -10.598 0.078 197 HE2 LYS 23 HE2 LYS 23 -9.145 -11.784 -2.018 198 HE3 LYS 23 HE1 LYS 23 -8.881 -13.315 -1.184 199 HZ1 LYS 23 HZ1 LYS 23 -11.241 -12.669 -1.995 200 HZ2 LYS 23 HZ2 LYS 23 -11.289 -11.740 -0.583 201 HZ3 LYS 23 HZ3 LYS 23 -11.051 -13.411 -0.485 202 H ASP 24 H ASP 24 -4.917 -14.817 2.076 203 HA ASP 24 HA ASP 24 -5.402 -13.520 4.528 204 HB2 ASP 24 HB2 ASP 24 -5.052 -16.140 3.717 205 HB3 ASP 24 HB1 ASP 24 -3.627 -15.844 4.707 206 H TYR 25 H TYR 25 -2.365 -14.527 2.965 207 HA TYR 25 HA TYR 25 -0.688 -13.351 4.926 208 HB2 TYR 25 HB2 TYR 25 0.067 -15.151 3.397 209 HB3 TYR 25 HB1 TYR 25 -0.050 -14.032 2.044 210 HD1 TYR 25 HD2 TYR 25 1.807 -14.828 5.128 211 HD2 TYR 25 HD1 TYR 25 1.656 -12.410 1.631 212 HE1 TYR 25 HE2 TYR 25 4.123 -14.107 5.533 213 HE2 TYR 25 HE1 TYR 25 3.971 -11.683 2.026 214 HH TYR 25 HH TYR 25 6.089 -13.131 3.733 215 H LEU 26 H LEU 26 -1.817 -12.232 1.743 216 HA LEU 26 HA LEU 26 -0.394 -9.818 1.719 217 HB2 LEU 26 HB2 LEU 26 -1.538 -10.582 -0.274 218 HB3 LEU 26 HB1 LEU 26 -3.090 -10.514 0.540 219 HG LEU 26 HG LEU 26 -2.950 -8.077 0.651 220 HD11 LEU 26 HD11 LEU 26 -1.111 -7.011 -0.772 221 HD12 LEU 26 HD12 LEU 26 -0.257 -8.543 -0.582 222 HD13 LEU 26 HD13 LEU 26 -0.677 -7.585 0.838 223 HD21 LEU 26 HD21 LEU 26 -2.305 -8.511 -2.186 224 HD22 LEU 26 HD22 LEU 26 -3.739 -7.806 -1.440 225 HD23 LEU 26 HD23 LEU 26 -3.559 -9.558 -1.523 226 H TYR 27 H TYR 27 -3.501 -10.720 3.106 227 HA TYR 27 HA TYR 27 -4.217 -8.162 4.064 228 HB2 TYR 27 HB2 TYR 27 -5.036 -10.958 4.612 229 HB3 TYR 27 HB1 TYR 27 -5.319 -9.815 5.920 230 HD1 TYR 27 HD2 TYR 27 -6.166 -7.393 4.696 231 HD2 TYR 27 HD1 TYR 27 -7.001 -11.385 3.483 232 HE1 TYR 27 HE2 TYR 27 -8.218 -6.620 3.584 233 HE2 TYR 27 HE1 TYR 27 -9.055 -10.622 2.366 234 HH TYR 27 HH TYR 27 -10.335 -7.474 2.824 235 H ASP 28 H ASP 28 -2.100 -10.708 5.228 236 HA ASP 28 HA ASP 28 -1.673 -9.580 7.817 237 HB2 ASP 28 HB2 ASP 28 -0.611 -11.834 6.239 238 HB3 ASP 28 HB1 ASP 28 0.543 -11.116 7.359 239 H VAL 29 H VAL 29 -0.204 -9.237 4.639 240 HA VAL 29 HA VAL 29 2.168 -7.939 5.426 241 HB VAL 29 HB VAL 29 0.595 -7.599 2.867 242 HG11 VAL 29 HG11 VAL 29 2.178 -5.770 3.222 243 HG12 VAL 29 HG12 VAL 29 2.693 -6.812 1.895 244 HG13 VAL 29 HG13 VAL 29 3.475 -6.937 3.471 245 HG21 VAL 29 HG21 VAL 29 2.482 -9.159 2.046 246 HG22 VAL 29 HG22 VAL 29 1.138 -9.858 2.947 247 HG23 VAL 29 HG23 VAL 29 2.677 -9.560 3.751 248 H LEU 30 H LEU 30 -0.956 -6.598 4.359 249 HA LEU 30 HA LEU 30 -0.285 -3.897 4.724 250 HB2 LEU 30 HB2 LEU 30 -2.932 -5.331 4.748 251 HB3 LEU 30 HB1 LEU 30 -2.801 -3.588 4.896 252 HG LEU 30 HG LEU 30 -1.521 -4.956 2.565 253 HD11 LEU 30 HD11 LEU 30 -3.579 -4.777 1.293 254 HD12 LEU 30 HD12 LEU 30 -4.437 -4.202 2.722 255 HD13 LEU 30 HD13 LEU 30 -3.804 -5.848 2.676 256 HD21 LEU 30 HD21 LEU 30 -1.207 -2.517 3.118 257 HD22 LEU 30 HD22 LEU 30 -2.921 -2.298 2.761 258 HD23 LEU 30 HD23 LEU 30 -1.821 -2.860 1.500 259 H ARG 31 H ARG 31 -1.697 -6.284 6.897 260 HA ARG 31 HA ARG 31 -2.248 -4.520 9.034 261 HB2 ARG 31 HB2 ARG 31 -3.206 -6.800 8.826 262 HB3 ARG 31 HB1 ARG 31 -1.617 -7.476 9.160 263 HG2 ARG 31 HG2 ARG 31 -2.628 -5.551 11.145 264 HG3 ARG 31 HG1 ARG 31 -3.506 -7.078 11.029 265 HD2 ARG 31 HD2 ARG 31 -1.265 -8.232 11.201 266 HD3 ARG 31 HD1 ARG 31 -0.583 -6.660 11.614 267 HE ARG 31 HE ARG 31 -2.691 -7.036 13.341 268 HH11 ARG 31 HH11 ARG 31 0.281 -8.706 12.595 269 HH12 ARG 31 HH12 ARG 31 0.470 -9.344 14.194 270 HH21 ARG 31 HH21 ARG 31 -2.444 -7.874 15.444 271 HH22 ARG 31 HH22 ARG 31 -1.078 -8.873 15.811 272 H MET 32 H MET 32 0.602 -6.376 8.124 273 HA MET 32 HA MET 32 2.067 -5.824 10.507 274 HB2 MET 32 HB2 MET 32 2.404 -7.444 8.237 275 HB3 MET 32 HB1 MET 32 3.766 -6.334 8.229 276 HG2 MET 32 HG2 MET 32 3.407 -7.289 10.879 277 HG3 MET 32 HG1 MET 32 3.393 -8.667 9.781 278 HE1 MET 32 HE1 MET 32 5.059 -7.467 12.123 279 HE2 MET 32 HE2 MET 32 6.576 -6.669 11.712 280 HE3 MET 32 HE3 MET 32 6.494 -8.431 11.770 281 H TYR 33 H TYR 33 2.100 -4.453 7.227 282 HA TYR 33 HA TYR 33 4.153 -2.612 7.575 283 HB2 TYR 33 HB2 TYR 33 3.412 -2.921 5.370 284 HB3 TYR 33 HB1 TYR 33 1.726 -2.662 5.800 285 HD1 TYR 33 HD2 TYR 33 0.846 -0.402 6.075 286 HD2 TYR 33 HD1 TYR 33 4.897 -1.052 4.952 287 HE1 TYR 33 HE2 TYR 33 1.026 1.952 5.390 288 HE2 TYR 33 HE1 TYR 33 5.089 1.302 4.265 289 HH TYR 33 HH TYR 33 4.040 3.423 4.648 290 H HIS 34 H HIS 34 0.696 -2.310 8.286 291 HA HIS 34 HA HIS 34 0.826 0.421 9.052 292 HB2 HIS 34 HB2 HIS 34 -1.198 -1.434 8.627 293 HB3 HIS 34 HB1 HIS 34 -1.303 -1.085 10.351 294 HD1 HIS 34 HD1 HIS 34 -0.752 1.122 7.291 295 HD2 HIS 34 HD2 HIS 34 -3.120 0.872 10.693 296 HE1 HIS 34 HE1 HIS 34 -2.232 3.154 7.227 297 HE2 HIS 34 HE2 HIS 34 -3.577 3.039 9.355 298 H GLN 35 H GLN 35 1.369 -2.589 10.724 299 HA GLN 35 HA GLN 35 1.281 -1.441 13.352 300 HB2 GLN 35 HB2 GLN 35 0.748 -3.814 12.946 301 HB3 GLN 35 HB1 GLN 35 2.410 -4.089 12.439 302 HG2 GLN 35 HG2 GLN 35 3.231 -3.657 14.628 303 HG3 GLN 35 HG1 GLN 35 1.654 -3.083 15.170 304 HE21 GLN 35 HE21 GLN 35 -0.102 -4.876 14.495 305 HE22 GLN 35 HE22 GLN 35 0.265 -6.441 15.125 306 H THR 36 H THR 36 3.915 -2.828 11.412 307 HA THR 36 HA THR 36 5.927 -1.726 13.134 308 HB THR 36 HB THR 36 6.441 -3.802 12.090 309 HG1 THR 36 HG1 THR 36 8.144 -2.180 12.158 310 HG21 THR 36 HG21 THR 36 5.490 -4.293 10.146 311 HG22 THR 36 HG22 THR 36 6.819 -3.404 9.404 312 HG23 THR 36 HG23 THR 36 5.283 -2.595 9.719 313 H MET 37 H MET 37 4.259 -0.655 10.305 314 HA MET 37 HA MET 37 4.368 1.260 9.079 315 HB2 MET 37 HB2 MET 37 5.816 2.084 11.579 316 HB3 MET 37 HB1 MET 37 5.674 3.189 10.219 317 HG2 MET 37 HG2 MET 37 3.392 1.922 11.715 318 HG3 MET 37 HG1 MET 37 3.942 3.588 11.873 319 HE1 MET 37 HE1 MET 37 0.544 3.813 10.523 320 HE2 MET 37 HE2 MET 37 1.270 2.617 11.597 321 HE3 MET 37 HE3 MET 37 0.654 2.126 10.019 322 H ASP 38 H ASP 38 6.043 -0.683 8.218 323 HA ASP 38 HA ASP 38 8.448 0.815 7.415 324 HB2 ASP 38 HB2 ASP 38 8.563 -1.378 8.971 325 HB3 ASP 38 HB1 ASP 38 8.572 -2.145 7.385 326 H VAL 39 H VAL 39 8.292 1.361 5.357 327 HA VAL 39 HA VAL 39 6.512 0.163 3.517 328 HB VAL 39 HB VAL 39 8.925 1.867 2.877 329 HG11 VAL 39 HG11 VAL 39 7.740 2.430 0.842 330 HG12 VAL 39 HG12 VAL 39 6.375 1.425 1.327 331 HG13 VAL 39 HG13 VAL 39 7.929 0.681 0.959 332 HG21 VAL 39 HG21 VAL 39 7.487 3.787 3.020 333 HG22 VAL 39 HG22 VAL 39 7.396 2.903 4.543 334 HG23 VAL 39 HG23 VAL 39 6.089 2.769 3.366 335 H ALA 40 H ALA 40 9.752 -0.585 4.467 336 HA ALA 40 HA ALA 40 10.524 -2.009 2.128 337 HB1 ALA 40 HB1 ALA 40 11.711 -2.796 4.715 338 HB2 ALA 40 HB2 ALA 40 11.883 -1.100 4.264 339 HB3 ALA 40 HB3 ALA 40 12.488 -2.363 3.193 340 H VAL 41 H VAL 41 8.579 -2.714 4.886 341 HA VAL 41 HA VAL 41 8.766 -5.556 4.691 342 HB VAL 41 HB VAL 41 6.817 -3.766 6.148 343 HG11 VAL 41 HG11 VAL 41 6.527 -6.141 7.380 344 HG12 VAL 41 HG12 VAL 41 6.801 -6.691 5.727 345 HG13 VAL 41 HG13 VAL 41 5.471 -5.586 6.080 346 HG21 VAL 41 HG21 VAL 41 9.363 -4.129 6.766 347 HG22 VAL 41 HG22 VAL 41 8.724 -5.597 7.504 348 HG23 VAL 41 HG23 VAL 41 8.114 -4.019 8.005 349 H LEU 42 H LEU 42 6.200 -3.201 3.909 350 HA LEU 42 HA LEU 42 4.396 -4.963 2.753 351 HB2 LEU 42 HB2 LEU 42 4.710 -2.148 2.988 352 HB3 LEU 42 HB1 LEU 42 4.340 -2.500 1.310 353 HG LEU 42 HG LEU 42 2.686 -3.462 3.636 354 HD11 LEU 42 HD11 LEU 42 1.594 -1.415 1.840 355 HD12 LEU 42 HD12 LEU 42 2.903 -0.866 2.886 356 HD13 LEU 42 HD13 LEU 42 1.455 -1.585 3.590 357 HD21 LEU 42 HD21 LEU 42 1.168 -4.273 2.093 358 HD22 LEU 42 HD22 LEU 42 2.711 -4.658 1.332 359 HD23 LEU 42 HD23 LEU 42 1.789 -3.254 0.793 360 H VAL 43 H VAL 43 7.150 -3.270 1.318 361 HA VAL 43 HA VAL 43 6.673 -4.067 -1.352 362 HB VAL 43 HB VAL 43 9.341 -3.426 -0.083 363 HG11 VAL 43 HG11 VAL 43 9.495 -4.502 -2.282 364 HG12 VAL 43 HG12 VAL 43 10.027 -2.820 -2.338 365 HG13 VAL 43 HG13 VAL 43 8.437 -3.263 -2.957 366 HG21 VAL 43 HG21 VAL 43 7.221 -1.757 -0.075 367 HG22 VAL 43 HG22 VAL 43 7.914 -1.378 -1.652 368 HG23 VAL 43 HG23 VAL 43 8.896 -1.216 -0.195 369 H GLY 44 H GLY 44 8.800 -5.416 1.174 370 HA2 GLY 44 HA2 GLY 44 9.867 -7.519 -0.330 371 HA3 GLY 44 HA1 GLY 44 9.704 -7.511 1.421 372 H ASP 45 H ASP 45 7.095 -7.603 1.908 373 HA ASP 45 HA ASP 45 6.403 -10.278 1.404 374 HB2 ASP 45 HB2 ASP 45 4.483 -8.092 2.210 375 HB3 ASP 45 HB1 ASP 45 4.355 -9.815 2.552 376 H LEU 46 H LEU 46 5.300 -7.251 -0.075 377 HA LEU 46 HA LEU 46 3.249 -8.207 -1.654 378 HB2 LEU 46 HB2 LEU 46 5.134 -5.930 -1.832 379 HB3 LEU 46 HB1 LEU 46 4.298 -6.360 -3.312 380 HG LEU 46 HG LEU 46 2.983 -5.613 -0.698 381 HD11 LEU 46 HD11 LEU 46 2.564 -4.028 -3.144 382 HD12 LEU 46 HD12 LEU 46 4.167 -3.916 -2.420 383 HD13 LEU 46 HD13 LEU 46 2.740 -3.509 -1.468 384 HD21 LEU 46 HD21 LEU 46 1.927 -7.265 -2.571 385 HD22 LEU 46 HD22 LEU 46 1.408 -5.695 -3.178 386 HD23 LEU 46 HD23 LEU 46 0.980 -6.193 -1.541 387 H LYS 47 H LYS 47 6.729 -8.224 -2.311 388 HA LYS 47 HA LYS 47 6.545 -9.274 -4.933 389 HB2 LYS 47 HB2 LYS 47 8.801 -9.445 -2.926 390 HB3 LYS 47 HB1 LYS 47 8.937 -9.855 -4.631 391 HG2 LYS 47 HG2 LYS 47 8.184 -7.134 -3.589 392 HG3 LYS 47 HG1 LYS 47 9.812 -7.612 -4.068 393 HD2 LYS 47 HD2 LYS 47 8.398 -8.352 -6.256 394 HD3 LYS 47 HD1 LYS 47 7.466 -6.954 -5.718 395 HE2 LYS 47 HE2 LYS 47 9.721 -5.749 -5.565 396 HE3 LYS 47 HE1 LYS 47 10.357 -7.090 -6.515 397 HZ1 LYS 47 HZ1 LYS 47 9.346 -4.890 -7.593 398 HZ2 LYS 47 HZ2 LYS 47 7.944 -5.832 -7.534 399 HZ3 LYS 47 HZ3 LYS 47 9.305 -6.395 -8.366 400 H LEU 48 H LEU 48 7.205 -10.816 -1.794 401 HA LEU 48 HA LEU 48 7.484 -13.438 -2.621 402 HB2 LEU 48 HB2 LEU 48 6.150 -12.438 -0.103 403 HB3 LEU 48 HB1 LEU 48 6.726 -14.075 -0.361 404 HG LEU 48 HG LEU 48 8.561 -11.690 -0.468 405 HD11 LEU 48 HD11 LEU 48 8.024 -11.466 1.717 406 HD12 LEU 48 HD12 LEU 48 9.164 -12.801 1.886 407 HD13 LEU 48 HD13 LEU 48 7.429 -13.121 1.856 408 HD21 LEU 48 HD21 LEU 48 10.232 -13.488 0.096 409 HD22 LEU 48 HD22 LEU 48 9.513 -13.594 -1.512 410 HD23 LEU 48 HD23 LEU 48 8.957 -14.663 -0.225 411 H VAL 49 H VAL 49 4.632 -11.481 -2.456 412 HA VAL 49 HA VAL 49 2.901 -13.801 -2.913 413 HB VAL 49 HB VAL 49 2.120 -10.916 -2.467 414 HG11 VAL 49 HG11 VAL 49 0.232 -11.734 -3.422 415 HG12 VAL 49 HG12 VAL 49 -0.051 -12.319 -1.781 416 HG13 VAL 49 HG13 VAL 49 0.612 -13.405 -3.003 417 HG21 VAL 49 HG21 VAL 49 1.501 -11.614 -0.203 418 HG22 VAL 49 HG22 VAL 49 3.226 -11.829 -0.500 419 HG23 VAL 49 HG23 VAL 49 2.148 -13.224 -0.525 420 H ILE 50 H ILE 50 4.264 -11.002 -4.439 421 HA ILE 50 HA ILE 50 2.658 -11.461 -6.849 422 HB ILE 50 HB ILE 50 4.438 -9.109 -6.210 423 HG12 ILE 50 HG12 ILE 50 1.446 -8.989 -6.262 424 HG13 ILE 50 HG11 ILE 50 2.263 -9.563 -4.812 425 HG21 ILE 50 HG21 ILE 50 4.286 -8.975 -8.469 426 HG22 ILE 50 HG22 ILE 50 2.772 -8.173 -8.052 427 HG23 ILE 50 HG23 ILE 50 2.768 -9.871 -8.533 428 HD11 ILE 50 HD11 ILE 50 1.842 -7.252 -4.536 429 HD12 ILE 50 HD12 ILE 50 2.520 -6.872 -6.117 430 HD13 ILE 50 HD13 ILE 50 3.572 -7.436 -4.818 431 H ASN 51 H ASN 51 4.975 -13.063 -5.926 432 HA ASN 51 HA ASN 51 7.333 -12.645 -7.248 433 HB2 ASN 51 HB2 ASN 51 5.930 -14.946 -6.168 434 HB3 ASN 51 HB1 ASN 51 6.880 -15.382 -7.585 435 HD21 ASN 51 HD21 ASN 51 9.008 -15.631 -7.375 436 HD22 ASN 51 HD22 ASN 51 9.916 -15.260 -5.952 437 H GLU 52 H GLU 52 4.262 -13.560 -8.609 438 HA GLU 52 HA GLU 52 5.470 -14.034 -11.232 439 HB2 GLU 52 HB2 GLU 52 2.813 -14.637 -10.005 440 HB3 GLU 52 HB1 GLU 52 2.924 -14.489 -11.754 441 HG2 GLU 52 HG2 GLU 52 4.989 -16.188 -10.588 442 HG3 GLU 52 HG1 GLU 52 3.348 -16.771 -10.317 443 HA PRO 53 HA PRO 53 4.445 -10.057 -12.812 444 HB2 PRO 53 HB2 PRO 53 3.815 -10.631 -15.388 445 HB3 PRO 53 HB1 PRO 53 5.470 -10.627 -14.769 446 HG2 PRO 53 HG2 PRO 53 3.616 -12.929 -15.200 447 HG3 PRO 53 HG1 PRO 53 5.341 -12.793 -15.586 448 HD2 PRO 53 HD2 PRO 53 4.465 -14.100 -13.400 449 HD3 PRO 53 HD1 PRO 53 5.990 -13.189 -13.406 450 H SER 54 H SER 54 2.114 -12.611 -12.919 451 HA SER 54 HA SER 54 -0.063 -11.170 -14.000 452 HB2 SER 54 HB2 SER 54 -0.286 -13.453 -12.037 453 HB3 SER 54 HB1 SER 54 -1.429 -12.990 -13.297 454 HG SER 54 HG SER 54 0.268 -14.816 -13.583 455 H ARG 55 H ARG 55 1.114 -11.614 -10.702 456 HA ARG 55 HA ARG 55 -1.095 -10.087 -9.601 457 HB2 ARG 55 HB2 ARG 55 1.329 -11.334 -8.303 458 HB3 ARG 55 HB1 ARG 55 0.058 -10.495 -7.427 459 HG2 ARG 55 HG2 ARG 55 -1.291 -12.267 -7.478 460 HG3 ARG 55 HG1 ARG 55 -0.973 -12.569 -9.186 461 HD2 ARG 55 HD2 ARG 55 0.809 -13.956 -8.748 462 HD3 ARG 55 HD1 ARG 55 1.140 -13.211 -7.186 463 HE ARG 55 HE ARG 55 -1.298 -14.400 -6.876 464 HH11 ARG 55 HH11 ARG 55 1.872 -15.496 -7.841 465 HH12 ARG 55 HH12 ARG 55 1.641 -17.099 -7.226 466 HH21 ARG 55 HH21 ARG 55 -1.602 -16.506 -6.066 467 HH22 ARG 55 HH22 ARG 55 -0.331 -17.672 -6.218 468 H LEU 56 H LEU 56 1.371 -9.076 -11.325 469 HA LEU 56 HA LEU 56 2.868 -7.282 -9.854 470 HB2 LEU 56 HB2 LEU 56 2.014 -7.475 -12.684 471 HB3 LEU 56 HB1 LEU 56 2.643 -5.927 -12.155 472 HG LEU 56 HG LEU 56 4.181 -8.457 -11.662 473 HD11 LEU 56 HD11 LEU 56 3.488 -8.013 -14.143 474 HD12 LEU 56 HD12 LEU 56 5.151 -8.443 -13.746 475 HD13 LEU 56 HD13 LEU 56 4.725 -6.760 -14.053 476 HD21 LEU 56 HD21 LEU 56 4.575 -5.928 -10.788 477 HD22 LEU 56 HD22 LEU 56 5.503 -5.908 -12.288 478 HD23 LEU 56 HD23 LEU 56 5.866 -7.103 -11.044 479 HA PRO 57 HA PRO 57 -0.805 -4.035 -11.038 480 HB2 PRO 57 HB2 PRO 57 -2.815 -6.056 -10.114 481 HB3 PRO 57 HB1 PRO 57 -3.013 -4.714 -11.249 482 HG2 PRO 57 HG2 PRO 57 -2.711 -7.191 -12.151 483 HG3 PRO 57 HG1 PRO 57 -1.919 -5.831 -12.967 484 HD2 PRO 57 HD2 PRO 57 -0.750 -7.945 -11.240 485 HD3 PRO 57 HD1 PRO 57 -0.013 -7.046 -12.581 486 H LEU 58 H LEU 58 -0.463 -6.348 -8.414 487 HA LEU 58 HA LEU 58 -1.815 -5.051 -6.374 488 HB2 LEU 58 HB2 LEU 58 0.264 -7.063 -6.582 489 HB3 LEU 58 HB1 LEU 58 0.474 -6.059 -5.160 490 HG LEU 58 HG LEU 58 -2.028 -7.597 -5.854 491 HD11 LEU 58 HD11 LEU 58 -1.411 -8.974 -3.904 492 HD12 LEU 58 HD12 LEU 58 0.122 -8.108 -3.806 493 HD13 LEU 58 HD13 LEU 58 -0.245 -9.093 -5.222 494 HD21 LEU 58 HD21 LEU 58 -3.069 -6.646 -4.094 495 HD22 LEU 58 HD22 LEU 58 -1.934 -5.332 -4.399 496 HD23 LEU 58 HD23 LEU 58 -1.587 -6.524 -3.147 497 H PHE 59 H PHE 59 1.518 -4.531 -7.478 498 HA PHE 59 HA PHE 59 2.287 -2.684 -5.535 499 HB2 PHE 59 HB2 PHE 59 3.188 -2.643 -8.416 500 HB3 PHE 59 HB1 PHE 59 4.077 -2.073 -7.007 501 HD1 PHE 59 HD2 PHE 59 4.475 -3.928 -5.160 502 HD2 PHE 59 HD1 PHE 59 3.728 -4.697 -9.278 503 HE1 PHE 59 HE2 PHE 59 5.540 -6.135 -4.937 504 HE2 PHE 59 HE1 PHE 59 4.790 -6.905 -9.063 505 HZ PHE 59 HZ PHE 59 5.699 -7.627 -6.891 506 H ASP 60 H ASP 60 0.910 -2.077 -8.765 507 HA ASP 60 HA ASP 60 0.759 0.751 -8.349 508 HB2 ASP 60 HB2 ASP 60 0.952 -0.450 -10.593 509 HB3 ASP 60 HB1 ASP 60 -0.762 -0.820 -10.428 510 H ALA 61 H ALA 61 -1.326 -1.963 -7.820 511 HA ALA 61 HA ALA 61 -3.779 -0.570 -7.615 512 HB1 ALA 61 HB1 ALA 61 -4.082 -2.819 -7.932 513 HB2 ALA 61 HB2 ALA 61 -4.334 -2.699 -6.191 514 HB3 ALA 61 HB3 ALA 61 -2.785 -3.262 -6.822 515 H ILE 62 H ILE 62 -1.429 -1.649 -5.183 516 HA ILE 62 HA ILE 62 -2.896 -0.599 -2.979 517 HB ILE 62 HB ILE 62 0.011 -1.388 -3.042 518 HG12 ILE 62 HG12 ILE 62 -2.171 -3.188 -2.070 519 HG13 ILE 62 HG11 ILE 62 -1.870 -3.079 -3.801 520 HG21 ILE 62 HG21 ILE 62 -1.920 -0.694 -0.901 521 HG22 ILE 62 HG22 ILE 62 -0.186 -0.396 -1.004 522 HG23 ILE 62 HG23 ILE 62 -0.780 -2.001 -0.582 523 HD11 ILE 62 HD11 ILE 62 -0.044 -4.338 -3.659 524 HD12 ILE 62 HD12 ILE 62 -0.612 -4.762 -2.045 525 HD13 ILE 62 HD13 ILE 62 0.559 -3.461 -2.253 526 H ARG 63 H ARG 63 -0.225 0.611 -4.933 527 HA ARG 63 HA ARG 63 0.831 2.607 -3.433 528 HB2 ARG 63 HB2 ARG 63 0.800 1.954 -6.143 529 HB3 ARG 63 HB1 ARG 63 0.277 3.631 -6.087 530 HG2 ARG 63 HG2 ARG 63 2.310 4.025 -4.589 531 HG3 ARG 63 HG1 ARG 63 2.861 2.443 -5.145 532 HD2 ARG 63 HD2 ARG 63 3.743 4.396 -6.448 533 HD3 ARG 63 HD1 ARG 63 2.919 3.167 -7.407 534 HE ARG 63 HE ARG 63 1.217 5.330 -6.574 535 HH11 ARG 63 HH11 ARG 63 3.458 4.222 -9.010 536 HH12 ARG 63 HH12 ARG 63 2.826 5.261 -10.242 537 HH21 ARG 63 HH21 ARG 63 0.385 6.698 -8.195 538 HH22 ARG 63 HH22 ARG 63 1.083 6.669 -9.779 539 HA PRO 64 HA PRO 64 -2.769 5.693 -5.068 540 HB2 PRO 64 HB2 PRO 64 -4.832 3.547 -4.759 541 HB3 PRO 64 HB1 PRO 64 -4.823 4.951 -5.833 542 HG2 PRO 64 HG2 PRO 64 -4.209 2.526 -6.752 543 HG3 PRO 64 HG1 PRO 64 -3.351 3.967 -7.326 544 HD2 PRO 64 HD2 PRO 64 -2.422 1.815 -5.512 545 HD3 PRO 64 HD1 PRO 64 -1.489 2.863 -6.596 546 H LEU 65 H LEU 65 -3.835 3.070 -2.862 547 HA LEU 65 HA LEU 65 -4.997 4.926 -1.037 548 HB2 LEU 65 HB2 LEU 65 -5.258 2.941 0.446 549 HB3 LEU 65 HB1 LEU 65 -5.968 2.769 -1.148 550 HG LEU 65 HG LEU 65 -3.215 1.736 -0.846 551 HD11 LEU 65 HD11 LEU 65 -3.601 0.068 0.609 552 HD12 LEU 65 HD12 LEU 65 -5.274 -0.140 0.088 553 HD13 LEU 65 HD13 LEU 65 -4.855 1.147 1.219 554 HD21 LEU 65 HD21 LEU 65 -5.640 1.249 -2.429 555 HD22 LEU 65 HD22 LEU 65 -4.739 -0.199 -1.983 556 HD23 LEU 65 HD23 LEU 65 -3.941 1.094 -2.876 557 H ILE 66 H ILE 66 -1.791 4.147 -1.568 558 HA ILE 66 HA ILE 66 -0.978 4.319 1.207 559 HB ILE 66 HB ILE 66 0.158 3.052 -0.889 560 HG12 ILE 66 HG12 ILE 66 2.146 3.981 1.072 561 HG13 ILE 66 HG11 ILE 66 0.663 3.340 1.773 562 HG21 ILE 66 HG21 ILE 66 2.050 5.340 -0.552 563 HG22 ILE 66 HG22 ILE 66 0.773 5.415 -1.765 564 HG23 ILE 66 HG23 ILE 66 1.971 4.125 -1.829 565 HD11 ILE 66 HD11 ILE 66 2.182 1.836 -0.321 566 HD12 ILE 66 HD12 ILE 66 0.995 1.233 0.835 567 HD13 ILE 66 HD13 ILE 66 2.594 1.728 1.391 568 HA PRO 67 HA PRO 67 -0.624 8.708 1.763 569 HB2 PRO 67 HB2 PRO 67 2.165 7.966 2.572 570 HB3 PRO 67 HB1 PRO 67 1.015 9.051 3.366 571 HG2 PRO 67 HG2 PRO 67 1.394 6.584 4.287 572 HG3 PRO 67 HG1 PRO 67 -0.226 7.302 4.256 573 HD2 PRO 67 HD2 PRO 67 0.932 5.177 2.539 574 HD3 PRO 67 HD1 PRO 67 -0.758 5.464 3.000 575 H LEU 68 H LEU 68 -0.173 10.291 0.578 576 HA LEU 68 HA LEU 68 0.842 10.163 -1.945 577 HB2 LEU 68 HB2 LEU 68 0.085 12.156 0.022 578 HB3 LEU 68 HB1 LEU 68 1.287 12.754 -1.104 579 HG LEU 68 HG LEU 68 -1.387 11.576 -1.822 580 HD11 LEU 68 HD11 LEU 68 -0.634 14.372 -2.463 581 HD12 LEU 68 HD12 LEU 68 -1.055 13.997 -0.791 582 HD13 LEU 68 HD13 LEU 68 -2.211 13.680 -2.085 583 HD21 LEU 68 HD21 LEU 68 -0.802 11.548 -3.988 584 HD22 LEU 68 HD22 LEU 68 0.851 11.525 -3.377 585 HD23 LEU 68 HD23 LEU 68 0.112 13.051 -3.863 586 H LYS 69 H LYS 69 2.598 10.452 1.039 587 HA LYS 69 HA LYS 69 5.055 11.238 -0.306 588 HB2 LYS 69 HB2 LYS 69 6.048 11.247 1.924 589 HB3 LYS 69 HB1 LYS 69 4.551 12.170 1.922 590 HG2 LYS 69 HG2 LYS 69 3.538 9.856 2.691 591 HG3 LYS 69 HG1 LYS 69 5.193 9.591 3.242 592 HD2 LYS 69 HD2 LYS 69 5.121 11.460 4.678 593 HD3 LYS 69 HD1 LYS 69 3.659 12.088 3.915 594 HE2 LYS 69 HE2 LYS 69 3.505 9.388 5.127 595 HE3 LYS 69 HE1 LYS 69 3.627 10.758 6.229 596 HZ1 LYS 69 HZ1 LYS 69 1.316 9.939 5.447 597 HZ2 LYS 69 HZ2 LYS 69 1.657 10.821 4.045 598 HZ3 LYS 69 HZ3 LYS 69 1.617 11.601 5.546 599 H HIS 70 H HIS 70 3.513 8.466 1.153 600 HA HIS 70 HA HIS 70 5.795 6.750 0.988 601 HB2 HIS 70 HB2 HIS 70 2.863 6.217 1.469 602 HB3 HIS 70 HB1 HIS 70 4.079 4.945 1.450 603 HD1 HIS 70 HD1 HIS 70 2.797 4.985 4.016 604 HD2 HIS 70 HD2 HIS 70 5.814 7.711 3.164 605 HE1 HIS 70 HE1 HIS 70 3.657 5.754 6.250 606 HE2 HIS 70 HE2 HIS 70 5.542 7.338 5.708 607 H GLN 71 H GLN 71 3.099 7.556 -1.112 608 HA GLN 71 HA GLN 71 3.330 5.352 -2.865 609 HB2 GLN 71 HB2 GLN 71 1.997 6.612 -4.411 610 HB3 GLN 71 HB1 GLN 71 1.388 6.933 -2.793 611 HG2 GLN 71 HG2 GLN 71 2.475 9.069 -2.754 612 HG3 GLN 71 HG1 GLN 71 3.254 8.747 -4.300 613 HE21 GLN 71 HE21 GLN 71 -0.047 8.507 -3.010 614 HE22 GLN 71 HE22 GLN 71 -0.797 9.376 -4.301 615 H VAL 72 H VAL 72 4.863 8.522 -2.770 616 HA VAL 72 HA VAL 72 6.263 8.304 -5.220 617 HB VAL 72 HB VAL 72 7.302 9.840 -2.860 618 HG11 VAL 72 HG11 VAL 72 8.475 9.611 -5.154 619 HG12 VAL 72 HG12 VAL 72 8.347 11.206 -4.412 620 HG13 VAL 72 HG13 VAL 72 7.244 10.745 -5.709 621 HG21 VAL 72 HG21 VAL 72 5.426 11.029 -2.716 622 HG22 VAL 72 HG22 VAL 72 4.706 10.132 -4.052 623 HG23 VAL 72 HG23 VAL 72 5.681 11.565 -4.376 624 H GLU 73 H GLU 73 7.398 7.930 -1.848 625 HA GLU 73 HA GLU 73 9.933 6.919 -2.497 626 HB2 GLU 73 HB2 GLU 73 9.066 7.714 -0.214 627 HB3 GLU 73 HB1 GLU 73 8.379 6.105 -0.042 628 HG2 GLU 73 HG2 GLU 73 10.682 5.188 -0.401 629 HG3 GLU 73 HG1 GLU 73 11.280 6.843 -0.303 630 H TYR 74 H TYR 74 6.808 5.382 -2.197 631 HA TYR 74 HA TYR 74 7.657 2.697 -2.229 632 HB2 TYR 74 HB2 TYR 74 5.344 3.348 -1.685 633 HB3 TYR 74 HB1 TYR 74 5.106 3.899 -3.340 634 HD1 TYR 74 HD1 TYR 74 5.488 2.093 -5.195 635 HD2 TYR 74 HD2 TYR 74 4.744 1.193 -1.103 636 HE1 TYR 74 HE1 TYR 74 4.746 -0.164 -5.832 637 HE2 TYR 74 HE2 TYR 74 4.001 -1.066 -1.730 638 HH TYR 74 HH TYR 74 3.060 -2.195 -3.767 639 H ASP 75 H ASP 75 7.187 5.127 -4.693 640 HA ASP 75 HA ASP 75 7.456 3.358 -6.925 641 HB2 ASP 75 HB2 ASP 75 6.443 5.787 -6.776 642 HB3 ASP 75 HB1 ASP 75 8.102 6.277 -7.100 643 H GLN 76 H GLN 76 9.629 5.286 -4.947 644 HA GLN 76 HA GLN 76 11.903 5.106 -6.620 645 HB2 GLN 76 HB2 GLN 76 11.759 5.422 -3.615 646 HB3 GLN 76 HB1 GLN 76 13.178 5.725 -4.607 647 HG2 GLN 76 HG2 GLN 76 12.195 7.605 -5.625 648 HG3 GLN 76 HG1 GLN 76 10.593 7.189 -5.018 649 HE21 GLN 76 HE21 GLN 76 10.852 9.538 -4.392 650 HE22 GLN 76 HE22 GLN 76 11.500 9.851 -2.821 651 H LEU 77 H LEU 77 10.499 2.968 -4.242 652 HA LEU 77 HA LEU 77 12.787 1.230 -4.099 653 HB2 LEU 77 HB2 LEU 77 9.950 0.987 -3.118 654 HB3 LEU 77 HB1 LEU 77 11.134 -0.291 -2.914 655 HG LEU 77 HG LEU 77 11.954 2.377 -1.943 656 HD11 LEU 77 HD11 LEU 77 9.517 1.012 -0.994 657 HD12 LEU 77 HD12 LEU 77 9.973 2.714 -0.916 658 HD13 LEU 77 HD13 LEU 77 10.638 1.568 0.249 659 HD21 LEU 77 HD21 LEU 77 13.005 -0.079 -1.763 660 HD22 LEU 77 HD22 LEU 77 12.043 -0.066 -0.283 661 HD23 LEU 77 HD23 LEU 77 13.269 1.174 -0.549 662 H THR 78 H THR 78 9.689 1.258 -5.772 663 HA THR 78 HA THR 78 10.126 -1.331 -6.969 664 HB THR 78 HB THR 78 8.061 -0.435 -8.372 665 HG1 THR 78 HG1 THR 78 7.440 1.450 -7.742 666 HG21 THR 78 HG21 THR 78 6.526 -1.221 -6.691 667 HG22 THR 78 HG22 THR 78 7.775 -1.093 -5.451 668 HG23 THR 78 HG23 THR 78 7.941 -2.272 -6.753 669 HA PRO 79 HA PRO 79 12.376 -0.210 -10.584 670 HB2 PRO 79 HB2 PRO 79 10.423 -1.808 -12.148 671 HB3 PRO 79 HB1 PRO 79 12.179 -1.967 -12.043 672 HG2 PRO 79 HG2 PRO 79 10.574 -3.713 -10.825 673 HG3 PRO 79 HG1 PRO 79 12.085 -3.175 -10.068 674 HD2 PRO 79 HD2 PRO 79 9.270 -2.355 -9.480 675 HD3 PRO 79 HD1 PRO 79 10.624 -2.627 -8.363 676 H ARG 80 H ARG 80 11.472 0.025 -13.188 677 HA ARG 80 HA ARG 80 10.525 1.484 -14.650 678 HB2 ARG 80 HB2 ARG 80 8.414 0.508 -13.748 679 HB3 ARG 80 HB1 ARG 80 8.365 1.804 -12.561 680 HG2 ARG 80 HG2 ARG 80 7.167 2.952 -14.032 681 HG3 ARG 80 HG1 ARG 80 8.649 3.127 -14.973 682 HD2 ARG 80 HD2 ARG 80 7.703 0.593 -15.618 683 HD3 ARG 80 HD1 ARG 80 6.256 1.598 -15.547 684 HE ARG 80 HE ARG 80 8.020 3.060 -17.023 685 HH11 ARG 80 HH11 ARG 80 6.717 -0.168 -17.261 686 HH12 ARG 80 HH12 ARG 80 6.818 -0.217 -18.988 687 HH21 ARG 80 HH21 ARG 80 8.155 2.999 -19.296 688 HH22 ARG 80 HH22 ARG 80 7.636 1.581 -20.144 689 H1 ASP 100 H ASP 100 -4.671 14.811 6.742 690 HA ASP 100 HA ASP 100 -6.175 13.135 7.047 691 HB2 ASP 100 HB2 ASP 100 -7.055 14.561 4.736 692 HB3 ASP 100 HB1 ASP 100 -7.345 12.845 4.464 693 H ASP 101 H ASP 101 -3.493 12.533 6.118 694 HA ASP 101 HA ASP 101 -3.696 10.342 4.263 695 HB2 ASP 101 HB2 ASP 101 -1.278 9.995 4.849 696 HB3 ASP 101 HB1 ASP 101 -1.656 11.607 4.249 697 H ASP 102 H ASP 102 -2.641 8.195 4.925 698 HA ASP 102 HA ASP 102 -2.790 6.258 6.105 699 HB2 ASP 102 HB2 ASP 102 -2.619 8.261 8.350 700 HB3 ASP 102 HB1 ASP 102 -2.730 6.530 8.659 701 H ARG 103 H ARG 103 -5.214 7.527 5.172 702 HA ARG 103 HA ARG 103 -7.138 6.633 7.213 703 HB2 ARG 103 HB2 ARG 103 -7.341 9.000 6.499 704 HB3 ARG 103 HB1 ARG 103 -7.616 8.457 4.849 705 HG2 ARG 103 HG2 ARG 103 -9.734 7.728 5.293 706 HG3 ARG 103 HG1 ARG 103 -9.385 7.402 6.990 707 HD2 ARG 103 HD2 ARG 103 -9.494 10.182 5.844 708 HD3 ARG 103 HD1 ARG 103 -10.905 9.368 6.521 709 HE ARG 103 HE ARG 103 -8.705 10.521 7.968 710 HH11 ARG 103 HH11 ARG 103 -11.280 8.168 8.074 711 HH12 ARG 103 HH12 ARG 103 -11.364 8.153 9.804 712 HH21 ARG 103 HH21 ARG 103 -8.814 10.503 10.243 713 HH22 ARG 103 HH22 ARG 103 -9.964 9.479 11.035 714 H TYR 104 H TYR 104 -6.254 6.407 3.809 715 HA TYR 104 HA TYR 104 -8.389 4.747 3.000 716 HB2 TYR 104 HB2 TYR 104 -5.659 5.320 1.887 717 HB3 TYR 104 HB1 TYR 104 -6.685 4.092 1.155 718 HD1 TYR 104 HD2 TYR 104 -6.796 7.663 2.236 719 HD2 TYR 104 HD1 TYR 104 -8.153 4.721 -0.521 720 HE1 TYR 104 HE2 TYR 104 -7.956 9.411 0.951 721 HE2 TYR 104 HE1 TYR 104 -9.315 6.459 -1.815 722 HH TYR 104 HH TYR 104 -8.722 9.481 -1.784 723 H LEU 105 H LEU 105 -5.060 3.977 4.001 724 HA LEU 105 HA LEU 105 -5.205 1.211 3.700 725 HB2 LEU 105 HB2 LEU 105 -3.411 3.106 4.872 726 HB3 LEU 105 HB1 LEU 105 -3.605 1.757 5.976 727 HG LEU 105 HG LEU 105 -3.109 0.270 3.925 728 HD11 LEU 105 HD11 LEU 105 -3.337 1.979 2.221 729 HD12 LEU 105 HD12 LEU 105 -1.692 1.342 2.232 730 HD13 LEU 105 HD13 LEU 105 -2.034 2.914 2.955 731 HD21 LEU 105 HD21 LEU 105 -1.217 1.916 5.522 732 HD22 LEU 105 HD22 LEU 105 -0.573 0.938 4.202 733 HD23 LEU 105 HD23 LEU 105 -1.469 0.170 5.512 734 H ARG 106 H ARG 106 -5.800 3.158 6.623 735 HA ARG 106 HA ARG 106 -6.512 1.073 8.326 736 HB2 ARG 106 HB2 ARG 106 -6.759 3.979 8.298 737 HB3 ARG 106 HB1 ARG 106 -8.098 3.204 9.132 738 HG2 ARG 106 HG2 ARG 106 -6.786 2.436 10.819 739 HG3 ARG 106 HG1 ARG 106 -5.358 2.290 9.793 740 HD2 ARG 106 HD2 ARG 106 -5.485 4.889 9.714 741 HD3 ARG 106 HD1 ARG 106 -6.471 4.704 11.163 742 HE ARG 106 HE ARG 106 -3.630 4.282 10.921 743 HH11 ARG 106 HH11 ARG 106 -6.496 3.587 12.789 744 HH12 ARG 106 HH12 ARG 106 -5.618 3.253 14.242 745 HH21 ARG 106 HH21 ARG 106 -2.475 3.841 12.833 746 HH22 ARG 106 HH22 ARG 106 -3.337 3.398 14.268 747 H GLU 107 H GLU 107 -8.356 2.753 5.874 748 HA GLU 107 HA GLU 107 -10.935 1.943 6.635 749 HB2 GLU 107 HB2 GLU 107 -9.681 3.173 4.317 750 HB3 GLU 107 HB1 GLU 107 -10.981 2.085 3.855 751 HG2 GLU 107 HG2 GLU 107 -11.715 4.415 4.156 752 HG3 GLU 107 HG1 GLU 107 -12.547 3.280 5.217 753 H ALA 108 H ALA 108 -8.821 0.560 4.109 754 HA ALA 108 HA ALA 108 -10.452 -1.727 3.706 755 HB1 ALA 108 HB1 ALA 108 -8.960 -2.328 2.093 756 HB2 ALA 108 HB2 ALA 108 -7.560 -1.852 3.053 757 HB3 ALA 108 HB3 ALA 108 -8.532 -0.624 2.243 758 H ILE 109 H ILE 109 -7.610 -1.080 5.676 759 HA ILE 109 HA ILE 109 -6.999 -3.671 6.497 760 HB ILE 109 HB ILE 109 -6.630 -0.995 7.831 761 HG12 ILE 109 HG12 ILE 109 -4.635 -2.964 6.694 762 HG13 ILE 109 HG11 ILE 109 -5.285 -1.587 5.812 763 HG21 ILE 109 HG21 ILE 109 -5.139 -2.124 9.457 764 HG22 ILE 109 HG22 ILE 109 -5.736 -3.678 8.872 765 HG23 ILE 109 HG23 ILE 109 -6.840 -2.547 9.654 766 HD11 ILE 109 HD11 ILE 109 -3.520 -0.476 6.575 767 HD12 ILE 109 HD12 ILE 109 -3.160 -1.710 7.781 768 HD13 ILE 109 HD13 ILE 109 -4.348 -0.453 8.132 769 H GLN 110 H GLN 110 -9.015 -1.240 8.164 770 HA GLN 110 HA GLN 110 -9.894 -3.009 10.188 771 HB2 GLN 110 HB2 GLN 110 -10.865 -0.350 9.181 772 HB3 GLN 110 HB1 GLN 110 -11.774 -1.234 10.399 773 HG2 GLN 110 HG2 GLN 110 -8.998 -1.118 11.121 774 HG3 GLN 110 HG1 GLN 110 -9.617 0.499 10.791 775 HE21 GLN 110 HE21 GLN 110 -10.440 1.495 12.475 776 HE22 GLN 110 HE22 GLN 110 -11.165 0.748 13.853 777 H GLU 111 H GLU 111 -11.100 -2.238 6.988 778 HA GLU 111 HA GLU 111 -13.673 -3.275 7.164 779 HB2 GLU 111 HB2 GLU 111 -12.161 -2.230 5.144 780 HB3 GLU 111 HB1 GLU 111 -12.238 -3.921 4.669 781 HG2 GLU 111 HG2 GLU 111 -14.041 -2.923 3.589 782 HG3 GLU 111 HG1 GLU 111 -14.755 -3.726 4.986 783 H TYR 112 H TYR 112 -10.613 -4.901 6.519 784 HA TYR 112 HA TYR 112 -11.788 -7.492 6.249 785 HB2 TYR 112 HB2 TYR 112 -9.555 -6.813 5.284 786 HB3 TYR 112 HB1 TYR 112 -8.910 -6.840 6.921 787 HD1 TYR 112 HD2 TYR 112 -11.222 -9.178 5.150 788 HD2 TYR 112 HD1 TYR 112 -7.463 -8.642 7.068 789 HE1 TYR 112 HE2 TYR 112 -10.774 -11.585 4.927 790 HE2 TYR 112 HE1 TYR 112 -7.003 -11.048 6.848 791 HH TYR 112 HH TYR 112 -9.402 -13.305 5.956 792 H ASP 113 H ASP 113 -10.445 -5.581 8.864 793 HA ASP 113 HA ASP 113 -10.243 -7.614 10.798 794 HB2 ASP 113 HB2 ASP 113 -10.804 -4.655 11.108 795 HB3 ASP 113 HB1 ASP 113 -10.443 -5.739 12.450 796 H ASN 114 H ASN 114 -12.924 -5.752 9.567 797 HA ASN 114 HA ASN 114 -14.762 -6.631 11.611 798 HB2 ASN 114 HB2 ASN 114 -14.758 -4.437 10.091 799 HB3 ASN 114 HB1 ASN 114 -15.736 -5.466 9.050 800 HD21 ASN 114 HD21 ASN 114 -15.501 -3.989 12.208 801 HD22 ASN 114 HD22 ASN 114 -17.183 -4.088 12.592 802 H ILE 115 H ILE 115 -13.855 -7.559 8.352 803 HA ILE 115 HA ILE 115 -16.083 -9.314 7.951 804 HB ILE 115 HB ILE 115 -13.431 -9.217 6.504 805 HG12 ILE 115 HG12 ILE 115 -15.958 -8.169 5.327 806 HG13 ILE 115 HG11 ILE 115 -15.180 -7.195 6.570 807 HG21 ILE 115 HG21 ILE 115 -14.831 -10.291 4.669 808 HG22 ILE 115 HG22 ILE 115 -16.007 -10.648 5.932 809 HG23 ILE 115 HG23 ILE 115 -14.377 -11.312 6.033 810 HD11 ILE 115 HD11 ILE 115 -13.919 -6.346 4.963 811 HD12 ILE 115 HD12 ILE 115 -14.488 -7.540 3.799 812 HD13 ILE 115 HD13 ILE 115 -13.124 -7.915 4.849 813 H ALA 116 H ALA 116 -12.807 -9.650 9.160 814 HA ALA 116 HA ALA 116 -13.138 -12.539 9.426 815 HB1 ALA 116 HB1 ALA 116 -10.890 -12.721 9.397 816 HB2 ALA 116 HB2 ALA 116 -10.653 -11.279 10.385 817 HB3 ALA 116 HB3 ALA 116 -10.982 -11.121 8.659 818 H LYS 117 H LYS 117 -14.793 -10.928 11.050 819 HA LYS 117 HA LYS 117 -13.662 -10.706 13.676 820 HB2 LYS 117 HB2 LYS 117 -16.359 -10.296 12.466 821 HB3 LYS 117 HB1 LYS 117 -16.247 -10.497 14.209 822 HG2 LYS 117 HG2 LYS 117 -14.282 -8.653 13.686 823 HG3 LYS 117 HG1 LYS 117 -15.551 -8.218 12.539 824 HD2 LYS 117 HD2 LYS 117 -16.007 -6.989 14.503 825 HD3 LYS 117 HD1 LYS 117 -17.161 -8.324 14.493 826 HE2 LYS 117 HE2 LYS 117 -14.623 -8.906 15.848 827 HE3 LYS 117 HE1 LYS 117 -15.590 -7.640 16.607 828 HZ1 LYS 117 HZ1 LYS 117 -17.494 -9.350 16.314 829 HZ2 LYS 117 HZ2 LYS 117 -16.404 -9.529 17.596 830 HZ3 LYS 117 HZ3 LYS 117 -16.238 -10.480 16.207 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -18.500 8.824 6.594 2 H2 MET 1 HT2 MET 1 -17.050 7.967 6.926 3 H3 MET 1 HT3 MET 1 -18.504 7.111 6.608 4 HA MET 1 HA MET 1 -18.521 7.712 4.399 5 HB2 MET 1 HB2 MET 1 -16.906 9.341 3.493 6 HB3 MET 1 HB1 MET 1 -17.938 10.055 4.724 7 HG2 MET 1 HG2 MET 1 -16.081 9.655 6.365 8 HG3 MET 1 HG1 MET 1 -15.065 9.218 4.992 9 HE1 MET 1 HE1 MET 1 -14.316 11.906 3.021 10 HE2 MET 1 HE2 MET 1 -16.035 12.246 2.811 11 HE3 MET 1 HE3 MET 1 -15.465 10.578 2.863 12 H ASP 2 H ASP 2 -16.455 7.543 2.741 13 HA ASP 2 HA ASP 2 -14.876 6.132 1.911 14 HB2 ASP 2 HB2 ASP 2 -14.011 6.679 4.676 15 HB3 ASP 2 HB1 ASP 2 -13.320 5.228 3.957 16 H ARG 3 H ARG 3 -15.790 4.322 1.162 17 HA ARG 3 HA ARG 3 -15.839 1.987 2.879 18 HB2 ARG 3 HB2 ARG 3 -18.250 3.438 2.166 19 HB3 ARG 3 HB1 ARG 3 -18.302 1.780 1.582 20 HG2 ARG 3 HG2 ARG 3 -18.312 0.890 3.685 21 HG3 ARG 3 HG1 ARG 3 -17.456 2.262 4.389 22 HD2 ARG 3 HD2 ARG 3 -19.714 3.490 3.625 23 HD3 ARG 3 HD1 ARG 3 -20.345 1.867 3.897 24 HE ARG 3 HE ARG 3 -18.911 2.352 6.136 25 HH11 ARG 3 HH11 ARG 3 -21.412 4.130 4.476 26 HH12 ARG 3 HH12 ARG 3 -22.025 4.862 5.919 27 HH21 ARG 3 HH21 ARG 3 -19.716 3.315 8.038 28 HH22 ARG 3 HH22 ARG 3 -21.061 4.400 7.942 29 H LYS 4 H LYS 4 -16.670 3.305 -0.314 30 HA LYS 4 HA LYS 4 -16.523 0.890 -1.733 31 HB2 LYS 4 HB2 LYS 4 -16.210 2.326 -3.738 32 HB3 LYS 4 HB1 LYS 4 -17.555 2.833 -2.727 33 HG2 LYS 4 HG2 LYS 4 -16.552 4.778 -2.120 34 HG3 LYS 4 HG1 LYS 4 -14.925 4.108 -2.239 35 HD2 LYS 4 HD2 LYS 4 -14.974 4.243 -4.629 36 HD3 LYS 4 HD1 LYS 4 -16.684 4.680 -4.620 37 HE2 LYS 4 HE2 LYS 4 -15.815 6.764 -4.843 38 HE3 LYS 4 HE1 LYS 4 -15.751 6.647 -3.084 39 HZ1 LYS 4 HZ1 LYS 4 -13.661 7.441 -3.890 40 HZ2 LYS 4 HZ2 LYS 4 -13.518 6.152 -4.974 41 HZ3 LYS 4 HZ3 LYS 4 -13.435 5.868 -3.308 42 H VAL 5 H VAL 5 -14.038 3.125 -0.688 43 HA VAL 5 HA VAL 5 -11.921 2.387 -2.314 44 HB VAL 5 HB VAL 5 -11.719 2.960 0.648 45 HG11 VAL 5 HG11 VAL 5 -9.492 3.140 0.401 46 HG12 VAL 5 HG12 VAL 5 -9.624 3.878 -1.196 47 HG13 VAL 5 HG13 VAL 5 -9.748 2.127 -1.021 48 HG21 VAL 5 HG21 VAL 5 -12.849 4.609 -1.240 49 HG22 VAL 5 HG22 VAL 5 -11.174 5.159 -1.188 50 HG23 VAL 5 HG23 VAL 5 -12.138 5.128 0.288 51 H ALA 6 H ALA 6 -13.279 0.778 0.495 52 HA ALA 6 HA ALA 6 -11.261 -1.232 0.680 53 HB1 ALA 6 HB1 ALA 6 -14.001 -0.930 1.868 54 HB2 ALA 6 HB2 ALA 6 -12.433 -0.823 2.668 55 HB3 ALA 6 HB3 ALA 6 -13.036 -2.385 2.112 56 H ARG 7 H ARG 7 -14.404 -0.976 -0.889 57 HA ARG 7 HA ARG 7 -14.597 -3.697 -1.662 58 HB2 ARG 7 HB2 ARG 7 -16.139 -1.304 -1.976 59 HB3 ARG 7 HB1 ARG 7 -15.986 -2.090 -3.542 60 HG2 ARG 7 HG2 ARG 7 -16.578 -4.168 -1.819 61 HG3 ARG 7 HG1 ARG 7 -17.574 -2.833 -1.235 62 HD2 ARG 7 HD2 ARG 7 -17.452 -3.697 -4.119 63 HD3 ARG 7 HD1 ARG 7 -18.654 -4.287 -2.972 64 HE ARG 7 HE ARG 7 -18.898 -1.605 -2.781 65 HH11 ARG 7 HH11 ARG 7 -18.896 -3.803 -5.492 66 HH12 ARG 7 HH12 ARG 7 -19.943 -2.815 -6.454 67 HH21 ARG 7 HH21 ARG 7 -20.279 -0.304 -4.045 68 HH22 ARG 7 HH22 ARG 7 -20.729 -0.830 -5.633 69 H GLU 8 H GLU 8 -13.271 -0.831 -3.224 70 HA GLU 8 HA GLU 8 -12.723 -2.131 -5.701 71 HB2 GLU 8 HB2 GLU 8 -11.843 0.460 -4.456 72 HB3 GLU 8 HB1 GLU 8 -11.132 -0.099 -5.964 73 HG2 GLU 8 HG2 GLU 8 -14.070 -0.112 -5.871 74 HG3 GLU 8 HG1 GLU 8 -13.311 1.477 -5.799 75 H PHE 9 H PHE 9 -10.746 -1.280 -2.878 76 HA PHE 9 HA PHE 9 -8.343 -2.389 -3.890 77 HB2 PHE 9 HB2 PHE 9 -8.390 -0.746 -2.046 78 HB3 PHE 9 HB1 PHE 9 -9.169 -1.939 -1.012 79 HD1 PHE 9 HD2 PHE 9 -6.370 -2.458 -3.390 80 HD2 PHE 9 HD1 PHE 9 -7.600 -2.267 0.680 81 HE1 PHE 9 HE2 PHE 9 -4.161 -3.286 -2.689 82 HE2 PHE 9 HE1 PHE 9 -5.393 -3.093 1.389 83 HZ PHE 9 HZ PHE 9 -3.671 -3.603 -0.297 84 H ARG 10 H ARG 10 -11.025 -3.673 -2.025 85 HA ARG 10 HA ARG 10 -9.770 -6.178 -1.445 86 HB2 ARG 10 HB2 ARG 10 -11.599 -5.240 -0.063 87 HB3 ARG 10 HB1 ARG 10 -12.705 -5.453 -1.412 88 HG2 ARG 10 HG2 ARG 10 -11.784 -7.953 -1.222 89 HG3 ARG 10 HG1 ARG 10 -11.583 -7.443 0.455 90 HD2 ARG 10 HD2 ARG 10 -13.832 -7.197 0.794 91 HD3 ARG 10 HD1 ARG 10 -14.156 -6.830 -0.900 92 HE ARG 10 HE ARG 10 -14.150 -9.416 0.340 93 HH11 ARG 10 HH11 ARG 10 -13.716 -7.702 -2.668 94 HH12 ARG 10 HH12 ARG 10 -14.126 -9.068 -3.650 95 HH21 ARG 10 HH21 ARG 10 -14.691 -11.214 -0.950 96 HH22 ARG 10 HH22 ARG 10 -14.680 -11.063 -2.675 97 H HIS 11 H HIS 11 -12.167 -5.073 -3.828 98 HA HIS 11 HA HIS 11 -12.534 -7.602 -5.042 99 HB2 HIS 11 HB2 HIS 11 -14.024 -5.540 -5.254 100 HB3 HIS 11 HB1 HIS 11 -12.864 -4.946 -6.436 101 HD1 HIS 11 HD1 HIS 11 -15.618 -5.348 -7.469 102 HD2 HIS 11 HD2 HIS 11 -12.827 -8.426 -7.392 103 HE1 HIS 11 HE1 HIS 11 -16.393 -7.003 -9.196 104 HE2 HIS 11 HE2 HIS 11 -14.736 -8.897 -9.070 105 H LYS 12 H LYS 12 -10.378 -4.889 -5.763 106 HA LYS 12 HA LYS 12 -9.288 -5.876 -8.145 107 HB2 LYS 12 HB2 LYS 12 -8.435 -3.915 -6.078 108 HB3 LYS 12 HB1 LYS 12 -7.198 -4.511 -7.175 109 HG2 LYS 12 HG2 LYS 12 -9.773 -3.489 -8.278 110 HG3 LYS 12 HG1 LYS 12 -8.530 -2.354 -7.748 111 HD2 LYS 12 HD2 LYS 12 -7.164 -4.252 -9.265 112 HD3 LYS 12 HD1 LYS 12 -8.663 -3.966 -10.150 113 HE2 LYS 12 HE2 LYS 12 -6.713 -1.856 -9.229 114 HE3 LYS 12 HE1 LYS 12 -6.895 -2.447 -10.880 115 HZ1 LYS 12 HZ1 LYS 12 -9.315 -1.457 -9.610 116 HZ2 LYS 12 HZ2 LYS 12 -8.760 -1.251 -11.195 117 HZ3 LYS 12 HZ3 LYS 12 -8.135 -0.291 -9.950 118 H VAL 13 H VAL 13 -7.935 -6.058 -4.849 119 HA VAL 13 HA VAL 13 -5.774 -7.703 -5.396 120 HB VAL 13 HB VAL 13 -7.442 -7.718 -2.874 121 HG11 VAL 13 HG11 VAL 13 -5.822 -9.614 -3.172 122 HG12 VAL 13 HG12 VAL 13 -5.534 -8.602 -1.757 123 HG13 VAL 13 HG13 VAL 13 -4.530 -8.414 -3.194 124 HG21 VAL 13 HG21 VAL 13 -6.247 -5.540 -3.927 125 HG22 VAL 13 HG22 VAL 13 -4.914 -6.209 -2.983 126 HG23 VAL 13 HG23 VAL 13 -6.442 -5.814 -2.195 127 H ASP 14 H ASP 14 -9.142 -8.530 -4.810 128 HA ASP 14 HA ASP 14 -8.712 -11.350 -4.706 129 HB2 ASP 14 HB2 ASP 14 -10.734 -9.912 -3.856 130 HB3 ASP 14 HB1 ASP 14 -11.339 -10.140 -5.494 131 H PHE 15 H PHE 15 -9.227 -9.029 -7.255 132 HA PHE 15 HA PHE 15 -10.020 -10.878 -9.265 133 HB2 PHE 15 HB2 PHE 15 -10.455 -8.463 -9.454 134 HB3 PHE 15 HB1 PHE 15 -8.723 -8.157 -9.546 135 HD1 PHE 15 HD1 PHE 15 -11.022 -10.575 -11.223 136 HD2 PHE 15 HD2 PHE 15 -8.109 -7.503 -11.651 137 HE1 PHE 15 HE1 PHE 15 -11.111 -10.837 -13.668 138 HE2 PHE 15 HE2 PHE 15 -8.193 -7.758 -14.096 139 HZ PHE 15 HZ PHE 15 -9.696 -9.428 -15.108 140 H LEU 16 H LEU 16 -6.969 -9.754 -8.026 141 HA LEU 16 HA LEU 16 -5.479 -11.102 -10.137 142 HB2 LEU 16 HB2 LEU 16 -4.117 -9.849 -7.813 143 HB3 LEU 16 HB1 LEU 16 -3.648 -9.878 -9.501 144 HG LEU 16 HG LEU 16 -6.033 -8.267 -8.671 145 HD11 LEU 16 HD11 LEU 16 -3.232 -7.179 -8.591 146 HD12 LEU 16 HD12 LEU 16 -4.071 -7.757 -7.152 147 HD13 LEU 16 HD13 LEU 16 -4.726 -6.402 -8.070 148 HD21 LEU 16 HD21 LEU 16 -4.056 -8.296 -10.915 149 HD22 LEU 16 HD22 LEU 16 -4.940 -6.819 -10.530 150 HD23 LEU 16 HD23 LEU 16 -5.819 -8.283 -10.974 151 H ILE 17 H ILE 17 -6.186 -11.390 -6.718 152 HA ILE 17 HA ILE 17 -4.470 -13.740 -6.485 153 HB ILE 17 HB ILE 17 -5.903 -12.040 -4.463 154 HG12 ILE 17 HG12 ILE 17 -3.465 -12.146 -3.545 155 HG13 ILE 17 HG11 ILE 17 -3.070 -12.684 -5.173 156 HG21 ILE 17 HG21 ILE 17 -6.252 -13.931 -3.282 157 HG22 ILE 17 HG22 ILE 17 -4.540 -13.756 -2.898 158 HG23 ILE 17 HG23 ILE 17 -5.047 -14.847 -4.189 159 HD11 ILE 17 HD11 ILE 17 -2.725 -10.425 -5.334 160 HD12 ILE 17 HD12 ILE 17 -4.048 -10.035 -4.238 161 HD13 ILE 17 HD13 ILE 17 -4.394 -10.554 -5.886 162 H GLU 18 H GLU 18 -7.747 -12.993 -5.338 163 HA GLU 18 HA GLU 18 -9.624 -14.209 -5.245 164 HB2 GLU 18 HB2 GLU 18 -9.443 -14.252 -7.674 165 HB3 GLU 18 HB1 GLU 18 -8.394 -15.663 -7.579 166 HG2 GLU 18 HG2 GLU 18 -10.120 -17.039 -6.863 167 HG3 GLU 18 HG1 GLU 18 -11.151 -15.675 -6.442 168 H ASN 19 H ASN 19 -6.833 -15.318 -4.339 169 HA ASN 19 HA ASN 19 -7.790 -17.962 -3.520 170 HB2 ASN 19 HB2 ASN 19 -5.159 -16.932 -4.310 171 HB3 ASN 19 HB1 ASN 19 -5.125 -17.917 -2.851 172 HD21 ASN 19 HD21 ASN 19 -5.303 -20.070 -3.015 173 HD22 ASN 19 HD22 ASN 19 -5.536 -20.926 -4.497 174 H ASP 20 H ASP 20 -8.296 -18.289 -1.453 175 HA ASP 20 HA ASP 20 -8.344 -16.237 0.440 176 HB2 ASP 20 HB2 ASP 20 -9.607 -18.542 0.329 177 HB3 ASP 20 HB1 ASP 20 -8.259 -19.100 1.315 178 H ALA 21 H ALA 21 -6.074 -18.945 0.071 179 HA ALA 21 HA ALA 21 -4.518 -18.475 2.332 180 HB1 ALA 21 HB1 ALA 21 -3.170 -20.101 1.539 181 HB2 ALA 21 HB2 ALA 21 -3.068 -19.379 -0.068 182 HB3 ALA 21 HB3 ALA 21 -4.482 -20.333 0.383 183 H GLU 22 H GLU 22 -4.094 -17.259 -0.968 184 HA GLU 22 HA GLU 22 -1.787 -15.726 -0.423 185 HB2 GLU 22 HB2 GLU 22 -3.855 -15.664 -2.603 186 HB3 GLU 22 HB1 GLU 22 -2.591 -14.445 -2.531 187 HG2 GLU 22 HG2 GLU 22 -0.921 -15.950 -3.014 188 HG3 GLU 22 HG1 GLU 22 -1.852 -17.329 -2.432 189 H LYS 23 H LYS 23 -5.238 -14.890 -0.501 190 HA LYS 23 HA LYS 23 -4.908 -12.145 0.065 191 HB2 LYS 23 HB2 LYS 23 -7.029 -13.660 -0.621 192 HB3 LYS 23 HB1 LYS 23 -7.323 -13.521 1.106 193 HG2 LYS 23 HG2 LYS 23 -7.123 -11.035 0.843 194 HG3 LYS 23 HG1 LYS 23 -7.098 -11.295 -0.902 195 HD2 LYS 23 HD2 LYS 23 -9.298 -12.321 0.880 196 HD3 LYS 23 HD1 LYS 23 -9.350 -10.737 0.104 197 HE2 LYS 23 HE2 LYS 23 -9.138 -11.815 -2.087 198 HE3 LYS 23 HE1 LYS 23 -9.101 -13.393 -1.304 199 HZ1 LYS 23 HZ1 LYS 23 -11.297 -13.232 -1.850 200 HZ2 LYS 23 HZ2 LYS 23 -11.353 -11.550 -1.668 201 HZ3 LYS 23 HZ3 LYS 23 -11.345 -12.549 -0.302 202 H ASP 24 H ASP 24 -5.001 -15.003 2.070 203 HA ASP 24 HA ASP 24 -5.408 -13.760 4.559 204 HB2 ASP 24 HB2 ASP 24 -5.488 -16.250 4.053 205 HB3 ASP 24 HB1 ASP 24 -3.727 -16.228 4.093 206 H TYR 25 H TYR 25 -2.402 -14.716 2.898 207 HA TYR 25 HA TYR 25 -0.695 -13.553 4.843 208 HB2 TYR 25 HB2 TYR 25 0.080 -15.317 3.307 209 HB3 TYR 25 HB1 TYR 25 -0.124 -14.221 1.943 210 HD1 TYR 25 HD2 TYR 25 1.762 -14.661 5.117 211 HD2 TYR 25 HD1 TYR 25 1.622 -12.802 1.293 212 HE1 TYR 25 HE2 TYR 25 4.063 -13.857 5.432 213 HE2 TYR 25 HE1 TYR 25 3.924 -11.994 1.595 214 HH TYR 25 HH TYR 25 5.978 -13.149 3.997 215 H LEU 26 H LEU 26 -1.869 -12.395 1.685 216 HA LEU 26 HA LEU 26 -0.461 -9.972 1.691 217 HB2 LEU 26 HB2 LEU 26 -1.976 -11.056 -0.149 218 HB3 LEU 26 HB1 LEU 26 -3.263 -10.152 0.629 219 HG LEU 26 HG LEU 26 -0.776 -8.997 -0.627 220 HD11 LEU 26 HD11 LEU 26 -1.987 -8.547 -2.462 221 HD12 LEU 26 HD12 LEU 26 -3.444 -8.183 -1.537 222 HD13 LEU 26 HD13 LEU 26 -3.016 -9.859 -1.886 223 HD21 LEU 26 HD21 LEU 26 -2.897 -7.809 1.096 224 HD22 LEU 26 HD22 LEU 26 -2.200 -6.841 -0.202 225 HD23 LEU 26 HD23 LEU 26 -1.162 -7.495 1.065 226 H TYR 27 H TYR 27 -3.539 -10.921 3.097 227 HA TYR 27 HA TYR 27 -4.291 -8.398 4.099 228 HB2 TYR 27 HB2 TYR 27 -5.012 -11.223 4.678 229 HB3 TYR 27 HB1 TYR 27 -5.337 -10.061 5.956 230 HD1 TYR 27 HD1 TYR 27 -6.269 -7.701 4.663 231 HD2 TYR 27 HD2 TYR 27 -6.965 -11.755 3.573 232 HE1 TYR 27 HE1 TYR 27 -8.350 -7.034 3.536 233 HE2 TYR 27 HE2 TYR 27 -9.046 -11.100 2.442 234 HH TYR 27 HH TYR 27 -9.845 -7.842 1.803 235 H ASP 28 H ASP 28 -2.106 -10.911 5.212 236 HA ASP 28 HA ASP 28 -1.652 -9.784 7.798 237 HB2 ASP 28 HB2 ASP 28 -1.239 -12.195 7.127 238 HB3 ASP 28 HB1 ASP 28 0.192 -11.628 6.270 239 H VAL 29 H VAL 29 -0.234 -9.401 4.602 240 HA VAL 29 HA VAL 29 2.124 -8.057 5.408 241 HB VAL 29 HB VAL 29 0.619 -7.783 2.799 242 HG11 VAL 29 HG11 VAL 29 3.468 -7.123 3.534 243 HG12 VAL 29 HG12 VAL 29 2.201 -5.986 3.073 244 HG13 VAL 29 HG13 VAL 29 2.829 -7.135 1.890 245 HG21 VAL 29 HG21 VAL 29 1.097 -10.049 2.930 246 HG22 VAL 29 HG22 VAL 29 2.613 -9.782 3.789 247 HG23 VAL 29 HG23 VAL 29 2.497 -9.406 2.071 248 H LEU 30 H LEU 30 -0.961 -6.781 4.143 249 HA LEU 30 HA LEU 30 -0.339 -4.070 4.482 250 HB2 LEU 30 HB2 LEU 30 -3.071 -5.348 4.633 251 HB3 LEU 30 HB1 LEU 30 -2.729 -3.662 4.294 252 HG LEU 30 HG LEU 30 -1.711 -5.842 2.496 253 HD11 LEU 30 HD11 LEU 30 -3.908 -6.361 2.236 254 HD12 LEU 30 HD12 LEU 30 -3.815 -5.000 1.121 255 HD13 LEU 30 HD13 LEU 30 -4.462 -4.767 2.744 256 HD21 LEU 30 HD21 LEU 30 -1.499 -4.123 0.892 257 HD22 LEU 30 HD22 LEU 30 -0.845 -3.469 2.393 258 HD23 LEU 30 HD23 LEU 30 -2.459 -3.001 1.856 259 H ARG 31 H ARG 31 -1.728 -6.453 6.658 260 HA ARG 31 HA ARG 31 -2.468 -4.673 8.725 261 HB2 ARG 31 HB2 ARG 31 -3.069 -7.188 8.346 262 HB3 ARG 31 HB1 ARG 31 -1.603 -7.492 9.268 263 HG2 ARG 31 HG2 ARG 31 -2.560 -6.926 11.207 264 HG3 ARG 31 HG1 ARG 31 -3.397 -5.543 10.502 265 HD2 ARG 31 HD2 ARG 31 -5.295 -6.693 10.265 266 HD3 ARG 31 HD1 ARG 31 -4.459 -8.067 9.543 267 HE ARG 31 HE ARG 31 -3.929 -8.113 12.273 268 HH11 ARG 31 HH11 ARG 31 -6.680 -8.427 10.151 269 HH12 ARG 31 HH12 ARG 31 -7.551 -9.464 11.228 270 HH21 ARG 31 HH21 ARG 31 -5.072 -9.480 13.691 271 HH22 ARG 31 HH22 ARG 31 -6.639 -10.063 13.238 272 H MET 32 H MET 32 0.468 -6.578 8.136 273 HA MET 32 HA MET 32 1.797 -5.791 10.509 274 HB2 MET 32 HB2 MET 32 2.309 -7.527 8.361 275 HB3 MET 32 HB1 MET 32 3.630 -6.368 8.350 276 HG2 MET 32 HG2 MET 32 3.562 -6.937 10.963 277 HG3 MET 32 HG1 MET 32 2.949 -8.456 10.314 278 HE1 MET 32 HE1 MET 32 5.564 -6.122 10.998 279 HE2 MET 32 HE2 MET 32 6.348 -6.003 9.423 280 HE3 MET 32 HE3 MET 32 7.072 -6.984 10.698 281 H TYR 33 H TYR 33 1.761 -4.530 7.213 282 HA TYR 33 HA TYR 33 3.792 -2.629 7.462 283 HB2 TYR 33 HB2 TYR 33 2.896 -3.174 5.291 284 HB3 TYR 33 HB1 TYR 33 1.293 -2.619 5.760 285 HD1 TYR 33 HD1 TYR 33 4.580 -0.962 6.311 286 HD2 TYR 33 HD2 TYR 33 0.848 -0.873 4.273 287 HE1 TYR 33 HE1 TYR 33 5.110 1.279 5.453 288 HE2 TYR 33 HE2 TYR 33 1.367 1.369 3.408 289 HH TYR 33 HH TYR 33 4.080 3.198 4.547 290 H HIS 34 H HIS 34 0.371 -2.474 8.300 291 HA HIS 34 HA HIS 34 0.355 0.303 8.917 292 HB2 HIS 34 HB2 HIS 34 -1.626 -1.347 8.444 293 HB3 HIS 34 HB1 HIS 34 -1.552 -1.633 10.180 294 HD1 HIS 34 HD1 HIS 34 -1.816 1.359 7.839 295 HD2 HIS 34 HD2 HIS 34 -3.065 0.101 11.596 296 HE1 HIS 34 HE1 HIS 34 -3.306 3.192 8.701 297 HE2 HIS 34 HE2 HIS 34 -3.971 2.451 11.015 298 H GLN 35 H GLN 35 1.143 -2.587 10.705 299 HA GLN 35 HA GLN 35 1.094 -1.317 13.277 300 HB2 GLN 35 HB2 GLN 35 0.841 -3.853 12.640 301 HB3 GLN 35 HB1 GLN 35 2.597 -3.846 12.749 302 HG2 GLN 35 HG2 GLN 35 2.522 -3.949 14.955 303 HG3 GLN 35 HG1 GLN 35 1.465 -2.541 15.038 304 HE21 GLN 35 HE21 GLN 35 1.374 -4.826 16.731 305 HE22 GLN 35 HE22 GLN 35 -0.165 -5.577 16.506 306 H THR 36 H THR 36 3.707 -2.612 11.250 307 HA THR 36 HA THR 36 5.737 -1.354 12.840 308 HB THR 36 HB THR 36 6.338 -3.414 11.829 309 HG1 THR 36 HG1 THR 36 8.110 -2.188 11.713 310 HG21 THR 36 HG21 THR 36 5.278 -4.038 9.979 311 HG22 THR 36 HG22 THR 36 6.507 -3.115 9.115 312 HG23 THR 36 HG23 THR 36 4.952 -2.374 9.495 313 H MET 37 H MET 37 3.937 -0.527 9.985 314 HA MET 37 HA MET 37 3.842 1.374 8.737 315 HB2 MET 37 HB2 MET 37 4.769 2.224 11.321 316 HB3 MET 37 HB1 MET 37 5.545 3.192 10.077 317 HG2 MET 37 HG2 MET 37 3.696 4.443 10.320 318 HG3 MET 37 HG1 MET 37 3.036 3.278 9.173 319 HE1 MET 37 HE1 MET 37 -0.089 2.402 10.842 320 HE2 MET 37 HE2 MET 37 0.942 2.361 9.412 321 HE3 MET 37 HE3 MET 37 0.414 3.908 10.074 322 H ASP 38 H ASP 38 5.738 -0.570 8.070 323 HA ASP 38 HA ASP 38 7.947 1.069 7.013 324 HB2 ASP 38 HB2 ASP 38 8.311 -0.987 8.673 325 HB3 ASP 38 HB1 ASP 38 8.221 -1.889 7.163 326 H VAL 39 H VAL 39 7.622 1.513 4.944 327 HA VAL 39 HA VAL 39 5.878 0.047 3.258 328 HB VAL 39 HB VAL 39 8.022 1.985 2.384 329 HG11 VAL 39 HG11 VAL 39 7.254 1.565 0.344 330 HG12 VAL 39 HG12 VAL 39 5.686 2.206 0.833 331 HG13 VAL 39 HG13 VAL 39 6.020 0.483 0.987 332 HG21 VAL 39 HG21 VAL 39 6.867 3.704 3.210 333 HG22 VAL 39 HG22 VAL 39 5.953 2.526 4.150 334 HG23 VAL 39 HG23 VAL 39 5.341 3.073 2.588 335 H ALA 40 H ALA 40 9.234 -0.261 4.030 336 HA ALA 40 HA ALA 40 10.013 -1.677 1.677 337 HB1 ALA 40 HB1 ALA 40 11.432 -0.431 3.543 338 HB2 ALA 40 HB2 ALA 40 12.098 -1.758 2.593 339 HB3 ALA 40 HB3 ALA 40 11.493 -2.057 4.221 340 H VAL 41 H VAL 41 8.482 -2.504 4.664 341 HA VAL 41 HA VAL 41 9.067 -5.306 4.501 342 HB VAL 41 HB VAL 41 7.077 -3.798 6.205 343 HG11 VAL 41 HG11 VAL 41 6.234 -6.004 6.039 344 HG12 VAL 41 HG12 VAL 41 7.097 -5.925 7.575 345 HG13 VAL 41 HG13 VAL 41 7.843 -6.709 6.183 346 HG21 VAL 41 HG21 VAL 41 8.650 -3.934 7.952 347 HG22 VAL 41 HG22 VAL 41 9.567 -3.418 6.537 348 HG23 VAL 41 HG23 VAL 41 9.645 -5.095 7.075 349 H LEU 42 H LEU 42 6.241 -3.253 3.859 350 HA LEU 42 HA LEU 42 4.506 -5.338 3.105 351 HB2 LEU 42 HB2 LEU 42 3.005 -3.699 2.471 352 HB3 LEU 42 HB1 LEU 42 3.987 -2.866 3.660 353 HG LEU 42 HG LEU 42 5.344 -2.079 1.546 354 HD11 LEU 42 HD11 LEU 42 2.968 -1.795 0.009 355 HD12 LEU 42 HD12 LEU 42 3.208 -3.508 0.353 356 HD13 LEU 42 HD13 LEU 42 4.484 -2.580 -0.434 357 HD21 LEU 42 HD21 LEU 42 4.161 -0.053 1.605 358 HD22 LEU 42 HD22 LEU 42 3.937 -0.753 3.208 359 HD23 LEU 42 HD23 LEU 42 2.643 -0.852 2.013 360 H VAL 43 H VAL 43 6.800 -3.379 1.271 361 HA VAL 43 HA VAL 43 6.050 -4.292 -1.297 362 HB VAL 43 HB VAL 43 8.757 -3.306 -0.373 363 HG11 VAL 43 HG11 VAL 43 7.665 -4.063 -3.016 364 HG12 VAL 43 HG12 VAL 43 9.320 -4.123 -2.412 365 HG13 VAL 43 HG13 VAL 43 8.633 -2.590 -2.948 366 HG21 VAL 43 HG21 VAL 43 6.967 -1.558 -1.931 367 HG22 VAL 43 HG22 VAL 43 8.040 -1.177 -0.585 368 HG23 VAL 43 HG23 VAL 43 6.461 -1.895 -0.275 369 H GLY 44 H GLY 44 8.447 -5.447 1.050 370 HA2 GLY 44 HA2 GLY 44 9.662 -7.414 -0.518 371 HA3 GLY 44 HA1 GLY 44 9.526 -7.466 1.234 372 H ASP 45 H ASP 45 6.929 -7.774 1.740 373 HA ASP 45 HA ASP 45 6.445 -10.485 1.195 374 HB2 ASP 45 HB2 ASP 45 4.361 -8.452 2.008 375 HB3 ASP 45 HB1 ASP 45 4.342 -10.185 2.317 376 H LEU 46 H LEU 46 5.125 -7.526 -0.234 377 HA LEU 46 HA LEU 46 3.188 -8.603 -1.885 378 HB2 LEU 46 HB2 LEU 46 4.882 -6.174 -1.949 379 HB3 LEU 46 HB1 LEU 46 4.118 -6.623 -3.460 380 HG LEU 46 HG LEU 46 2.706 -6.040 -0.857 381 HD11 LEU 46 HD11 LEU 46 2.248 -4.504 -3.351 382 HD12 LEU 46 HD12 LEU 46 3.744 -4.206 -2.468 383 HD13 LEU 46 HD13 LEU 46 2.188 -3.980 -1.668 384 HD21 LEU 46 HD21 LEU 46 1.850 -7.718 -2.889 385 HD22 LEU 46 HD22 LEU 46 1.065 -6.179 -3.246 386 HD23 LEU 46 HD23 LEU 46 0.838 -6.942 -1.671 387 H LYS 47 H LYS 47 6.673 -8.455 -2.328 388 HA LYS 47 HA LYS 47 6.682 -9.364 -5.024 389 HB2 LYS 47 HB2 LYS 47 8.684 -8.907 -2.898 390 HB3 LYS 47 HB1 LYS 47 9.122 -10.114 -4.098 391 HG2 LYS 47 HG2 LYS 47 9.734 -8.513 -5.488 392 HG3 LYS 47 HG1 LYS 47 8.088 -7.882 -5.488 393 HD2 LYS 47 HD2 LYS 47 8.775 -6.070 -4.398 394 HD3 LYS 47 HD1 LYS 47 9.337 -7.078 -3.063 395 HE2 LYS 47 HE2 LYS 47 11.314 -7.426 -4.922 396 HE3 LYS 47 HE1 LYS 47 10.847 -5.746 -5.187 397 HZ1 LYS 47 HZ1 LYS 47 11.541 -6.875 -2.531 398 HZ2 LYS 47 HZ2 LYS 47 11.277 -5.249 -2.910 399 HZ3 LYS 47 HZ3 LYS 47 12.634 -6.049 -3.523 400 H LEU 48 H LEU 48 7.267 -10.989 -1.914 401 HA LEU 48 HA LEU 48 7.740 -13.557 -2.819 402 HB2 LEU 48 HB2 LEU 48 6.470 -12.489 -0.324 403 HB3 LEU 48 HB1 LEU 48 6.575 -14.217 -0.591 404 HG LEU 48 HG LEU 48 9.147 -13.017 -1.052 405 HD11 LEU 48 HD11 LEU 48 9.652 -12.053 1.030 406 HD12 LEU 48 HD12 LEU 48 8.131 -12.588 1.741 407 HD13 LEU 48 HD13 LEU 48 8.135 -11.307 0.528 408 HD21 LEU 48 HD21 LEU 48 8.068 -14.989 0.954 409 HD22 LEU 48 HD22 LEU 48 9.779 -14.606 0.763 410 HD23 LEU 48 HD23 LEU 48 8.887 -15.343 -0.567 411 H VAL 49 H VAL 49 4.764 -11.777 -2.717 412 HA VAL 49 HA VAL 49 3.218 -14.184 -3.375 413 HB VAL 49 HB VAL 49 2.187 -11.399 -2.821 414 HG11 VAL 49 HG11 VAL 49 0.916 -13.510 -4.027 415 HG12 VAL 49 HG12 VAL 49 0.122 -12.172 -3.196 416 HG13 VAL 49 HG13 VAL 49 0.434 -13.682 -2.340 417 HG21 VAL 49 HG21 VAL 49 3.035 -13.552 -1.017 418 HG22 VAL 49 HG22 VAL 49 1.435 -12.893 -0.679 419 HG23 VAL 49 HG23 VAL 49 2.838 -11.825 -0.714 420 H ILE 50 H ILE 50 4.413 -11.194 -4.677 421 HA ILE 50 HA ILE 50 2.938 -11.636 -7.172 422 HB ILE 50 HB ILE 50 4.474 -9.185 -6.308 423 HG12 ILE 50 HG12 ILE 50 1.482 -9.410 -6.497 424 HG13 ILE 50 HG11 ILE 50 2.330 -9.850 -5.018 425 HG21 ILE 50 HG21 ILE 50 2.986 -9.927 -8.761 426 HG22 ILE 50 HG22 ILE 50 4.430 -8.932 -8.566 427 HG23 ILE 50 HG23 ILE 50 2.844 -8.269 -8.181 428 HD11 ILE 50 HD11 ILE 50 1.567 -7.610 -4.806 429 HD12 ILE 50 HD12 ILE 50 2.272 -7.162 -6.359 430 HD13 ILE 50 HD13 ILE 50 3.319 -7.567 -4.998 431 H ASN 51 H ASN 51 5.348 -13.100 -6.255 432 HA ASN 51 HA ASN 51 7.702 -12.398 -7.469 433 HB2 ASN 51 HB2 ASN 51 8.075 -14.899 -7.753 434 HB3 ASN 51 HB1 ASN 51 7.681 -14.354 -6.126 435 HD21 ASN 51 HD21 ASN 51 7.159 -16.766 -8.153 436 HD22 ASN 51 HD22 ASN 51 5.559 -17.239 -7.703 437 H GLU 52 H GLU 52 4.760 -13.494 -8.970 438 HA GLU 52 HA GLU 52 6.078 -13.743 -11.571 439 HB2 GLU 52 HB2 GLU 52 3.176 -14.265 -10.924 440 HB3 GLU 52 HB1 GLU 52 4.066 -14.784 -12.348 441 HG2 GLU 52 HG2 GLU 52 5.219 -15.721 -9.836 442 HG3 GLU 52 HG1 GLU 52 3.580 -16.300 -10.132 443 HA PRO 53 HA PRO 53 4.782 -9.785 -12.989 444 HB2 PRO 53 HB2 PRO 53 4.265 -10.281 -15.610 445 HB3 PRO 53 HB1 PRO 53 5.897 -10.165 -14.942 446 HG2 PRO 53 HG2 PRO 53 4.262 -12.595 -15.538 447 HG3 PRO 53 HG1 PRO 53 5.981 -12.291 -15.862 448 HD2 PRO 53 HD2 PRO 53 5.161 -13.776 -13.768 449 HD3 PRO 53 HD1 PRO 53 6.599 -12.737 -13.681 450 H SER 54 H SER 54 2.670 -12.507 -13.289 451 HA SER 54 HA SER 54 0.411 -11.227 -14.382 452 HB2 SER 54 HB2 SER 54 0.502 -13.605 -12.510 453 HB3 SER 54 HB1 SER 54 -0.859 -13.142 -13.533 454 HG SER 54 HG SER 54 1.728 -13.867 -14.456 455 H ARG 55 H ARG 55 1.557 -11.584 -11.066 456 HA ARG 55 HA ARG 55 -0.800 -10.268 -9.998 457 HB2 ARG 55 HB2 ARG 55 1.674 -11.437 -8.743 458 HB3 ARG 55 HB1 ARG 55 0.504 -10.515 -7.810 459 HG2 ARG 55 HG2 ARG 55 -1.120 -12.129 -7.990 460 HG3 ARG 55 HG1 ARG 55 -0.435 -12.805 -9.470 461 HD2 ARG 55 HD2 ARG 55 1.582 -13.391 -7.907 462 HD3 ARG 55 HD1 ARG 55 0.377 -13.230 -6.629 463 HE ARG 55 HE ARG 55 -0.472 -14.924 -8.782 464 HH11 ARG 55 HH11 ARG 55 1.337 -14.806 -5.799 465 HH12 ARG 55 HH12 ARG 55 1.138 -16.494 -5.468 466 HH21 ARG 55 HH21 ARG 55 -0.733 -17.144 -8.348 467 HH22 ARG 55 HH22 ARG 55 -0.034 -17.822 -6.914 468 H LEU 56 H LEU 56 1.541 -9.008 -11.700 469 HA LEU 56 HA LEU 56 2.879 -7.104 -10.212 470 HB2 LEU 56 HB2 LEU 56 2.025 -7.334 -13.041 471 HB3 LEU 56 HB1 LEU 56 2.523 -5.745 -12.491 472 HG LEU 56 HG LEU 56 4.283 -8.127 -12.019 473 HD11 LEU 56 HD11 LEU 56 5.101 -8.177 -14.124 474 HD12 LEU 56 HD12 LEU 56 4.793 -6.463 -14.405 475 HD13 LEU 56 HD13 LEU 56 3.473 -7.627 -14.522 476 HD21 LEU 56 HD21 LEU 56 5.902 -6.056 -12.516 477 HD22 LEU 56 HD22 LEU 56 5.265 -6.414 -10.912 478 HD23 LEU 56 HD23 LEU 56 4.497 -5.180 -11.910 479 HA PRO 57 HA PRO 57 -1.090 -4.195 -11.344 480 HB2 PRO 57 HB2 PRO 57 -2.879 -6.402 -10.390 481 HB3 PRO 57 HB1 PRO 57 -3.231 -5.079 -11.509 482 HG2 PRO 57 HG2 PRO 57 -2.707 -7.513 -12.436 483 HG3 PRO 57 HG1 PRO 57 -2.078 -6.076 -13.261 484 HD2 PRO 57 HD2 PRO 57 -0.653 -8.075 -11.599 485 HD3 PRO 57 HD1 PRO 57 -0.045 -7.075 -12.931 486 H LEU 58 H LEU 58 -0.592 -6.519 -8.741 487 HA LEU 58 HA LEU 58 -1.964 -5.255 -6.680 488 HB2 LEU 58 HB2 LEU 58 0.036 -7.304 -6.928 489 HB3 LEU 58 HB1 LEU 58 0.409 -6.275 -5.559 490 HG LEU 58 HG LEU 58 -2.168 -7.782 -6.008 491 HD11 LEU 58 HD11 LEU 58 -0.058 -9.026 -5.286 492 HD12 LEU 58 HD12 LEU 58 -1.499 -9.215 -4.286 493 HD13 LEU 58 HD13 LEU 58 -0.202 -8.137 -3.769 494 HD21 LEU 58 HD21 LEU 58 -1.710 -6.606 -3.384 495 HD22 LEU 58 HD22 LEU 58 -3.153 -6.592 -4.396 496 HD23 LEU 58 HD23 LEU 58 -1.879 -5.401 -4.659 497 H PHE 59 H PHE 59 1.318 -4.680 -7.871 498 HA PHE 59 HA PHE 59 2.116 -2.845 -5.912 499 HB2 PHE 59 HB2 PHE 59 2.952 -3.270 -8.773 500 HB3 PHE 59 HB1 PHE 59 3.674 -2.007 -7.780 501 HD1 PHE 59 HD2 PHE 59 3.057 -5.668 -7.890 502 HD2 PHE 59 HD1 PHE 59 5.451 -2.496 -6.367 503 HE1 PHE 59 HE2 PHE 59 4.636 -7.311 -6.959 504 HE2 PHE 59 HE1 PHE 59 7.033 -4.132 -5.433 505 HZ PHE 59 HZ PHE 59 6.626 -6.543 -5.728 506 H ASP 60 H ASP 60 0.575 -2.308 -9.070 507 HA ASP 60 HA ASP 60 0.456 0.534 -8.734 508 HB2 ASP 60 HB2 ASP 60 -0.907 -1.320 -10.695 509 HB3 ASP 60 HB1 ASP 60 -1.021 0.436 -10.758 510 H ALA 61 H ALA 61 -1.603 -2.162 -8.006 511 HA ALA 61 HA ALA 61 -4.034 -0.754 -7.682 512 HB1 ALA 61 HB1 ALA 61 -3.241 -3.300 -6.291 513 HB2 ALA 61 HB2 ALA 61 -3.756 -3.231 -7.975 514 HB3 ALA 61 HB3 ALA 61 -4.866 -2.747 -6.691 515 H ILE 62 H ILE 62 -1.578 -1.816 -5.347 516 HA ILE 62 HA ILE 62 -2.895 -0.646 -3.102 517 HB ILE 62 HB ILE 62 -0.007 -1.490 -3.270 518 HG12 ILE 62 HG12 ILE 62 -2.216 -3.241 -2.242 519 HG13 ILE 62 HG11 ILE 62 -1.853 -3.204 -3.964 520 HG21 ILE 62 HG21 ILE 62 -1.761 -1.610 -0.849 521 HG22 ILE 62 HG22 ILE 62 -0.953 -0.110 -1.302 522 HG23 ILE 62 HG23 ILE 62 -0.001 -1.553 -0.952 523 HD11 ILE 62 HD11 ILE 62 0.326 -4.038 -3.614 524 HD12 ILE 62 HD12 ILE 62 -0.755 -5.034 -2.642 525 HD13 ILE 62 HD13 ILE 62 0.220 -3.782 -1.872 526 H ARG 63 H ARG 63 -0.338 0.388 -5.271 527 HA ARG 63 HA ARG 63 0.906 2.399 -3.966 528 HB2 ARG 63 HB2 ARG 63 0.807 1.596 -6.548 529 HB3 ARG 63 HB1 ARG 63 0.029 3.166 -6.674 530 HG2 ARG 63 HG2 ARG 63 2.712 2.716 -5.392 531 HG3 ARG 63 HG1 ARG 63 2.480 3.197 -7.074 532 HD2 ARG 63 HD2 ARG 63 0.925 4.949 -5.504 533 HD3 ARG 63 HD1 ARG 63 2.494 4.815 -4.710 534 HE ARG 63 HE ARG 63 3.461 5.913 -6.482 535 HH11 ARG 63 HH11 ARG 63 0.199 5.005 -7.333 536 HH12 ARG 63 HH12 ARG 63 0.188 5.938 -8.790 537 HH21 ARG 63 HH21 ARG 63 3.445 7.139 -8.398 538 HH22 ARG 63 HH22 ARG 63 2.030 7.147 -9.397 539 HA PRO 64 HA PRO 64 -2.553 5.657 -5.129 540 HB2 PRO 64 HB2 PRO 64 -5.068 4.530 -5.344 541 HB3 PRO 64 HB1 PRO 64 -4.046 4.996 -6.707 542 HG2 PRO 64 HG2 PRO 64 -4.446 2.306 -5.470 543 HG3 PRO 64 HG1 PRO 64 -4.296 2.744 -7.181 544 HD2 PRO 64 HD2 PRO 64 -2.252 1.660 -5.835 545 HD3 PRO 64 HD1 PRO 64 -1.984 2.914 -7.063 546 H LEU 65 H LEU 65 -4.018 2.841 -3.468 547 HA LEU 65 HA LEU 65 -5.351 4.330 -1.517 548 HB2 LEU 65 HB2 LEU 65 -5.909 2.331 -0.535 549 HB3 LEU 65 HB1 LEU 65 -5.542 1.824 -2.172 550 HG LEU 65 HG LEU 65 -3.126 1.447 -1.081 551 HD11 LEU 65 HD11 LEU 65 -5.092 1.262 1.179 552 HD12 LEU 65 HD12 LEU 65 -3.549 2.116 1.126 553 HD13 LEU 65 HD13 LEU 65 -3.580 0.354 1.171 554 HD21 LEU 65 HD21 LEU 65 -4.858 -0.140 -2.215 555 HD22 LEU 65 HD22 LEU 65 -5.192 -0.642 -0.558 556 HD23 LEU 65 HD23 LEU 65 -3.566 -0.809 -1.219 557 H ILE 66 H ILE 66 -2.006 3.578 -1.796 558 HA ILE 66 HA ILE 66 -1.431 3.893 1.008 559 HB ILE 66 HB ILE 66 -0.099 2.645 -0.992 560 HG12 ILE 66 HG12 ILE 66 1.575 3.670 1.242 561 HG13 ILE 66 HG11 ILE 66 0.120 2.772 1.658 562 HG21 ILE 66 HG21 ILE 66 1.756 3.754 -1.778 563 HG22 ILE 66 HG22 ILE 66 1.738 4.937 -0.471 564 HG23 ILE 66 HG23 ILE 66 0.557 5.046 -1.774 565 HD11 ILE 66 HD11 ILE 66 2.119 1.358 1.565 566 HD12 ILE 66 HD12 ILE 66 2.311 1.768 -0.139 567 HD13 ILE 66 HD13 ILE 66 0.892 0.868 0.396 568 HA PRO 67 HA PRO 67 -1.180 8.289 1.530 569 HB2 PRO 67 HB2 PRO 67 1.556 7.640 2.553 570 HB3 PRO 67 HB1 PRO 67 0.310 8.681 3.254 571 HG2 PRO 67 HG2 PRO 67 0.720 6.232 4.211 572 HG3 PRO 67 HG1 PRO 67 -0.921 6.888 4.065 573 HD2 PRO 67 HD2 PRO 67 0.442 4.815 2.434 574 HD3 PRO 67 HD1 PRO 67 -1.284 5.018 2.791 575 H LEU 68 H LEU 68 -0.627 9.901 0.423 576 HA LEU 68 HA LEU 68 0.548 9.806 -2.035 577 HB2 LEU 68 HB2 LEU 68 -0.321 11.767 -0.081 578 HB3 LEU 68 HB1 LEU 68 0.963 12.375 -1.108 579 HG LEU 68 HG LEU 68 -1.669 11.242 -2.032 580 HD11 LEU 68 HD11 LEU 68 -2.019 13.596 -2.841 581 HD12 LEU 68 HD12 LEU 68 -0.613 14.057 -1.881 582 HD13 LEU 68 HD13 LEU 68 -2.040 13.389 -1.089 583 HD21 LEU 68 HD21 LEU 68 -0.038 12.735 -3.947 584 HD22 LEU 68 HD22 LEU 68 -0.927 11.228 -4.147 585 HD23 LEU 68 HD23 LEU 68 0.684 11.211 -3.429 586 H LYS 69 H LYS 69 2.063 10.412 1.096 587 HA LYS 69 HA LYS 69 4.617 11.123 0.006 588 HB2 LYS 69 HB2 LYS 69 4.117 10.078 2.791 589 HB3 LYS 69 HB1 LYS 69 5.401 11.152 2.249 590 HG2 LYS 69 HG2 LYS 69 3.754 12.917 1.850 591 HG3 LYS 69 HG1 LYS 69 2.473 11.840 2.410 592 HD2 LYS 69 HD2 LYS 69 2.911 13.027 4.328 593 HD3 LYS 69 HD1 LYS 69 3.991 11.647 4.539 594 HE2 LYS 69 HE2 LYS 69 5.599 13.166 4.858 595 HE3 LYS 69 HE1 LYS 69 5.537 13.408 3.112 596 HZ1 LYS 69 HZ1 LYS 69 3.605 14.906 4.686 597 HZ2 LYS 69 HZ2 LYS 69 4.503 15.382 3.334 598 HZ3 LYS 69 HZ3 LYS 69 5.222 15.370 4.864 599 H HIS 70 H HIS 70 3.207 8.224 1.467 600 HA HIS 70 HA HIS 70 5.494 6.590 1.250 601 HB2 HIS 70 HB2 HIS 70 2.589 5.737 1.235 602 HB3 HIS 70 HB1 HIS 70 3.973 4.718 1.618 603 HD1 HIS 70 HD1 HIS 70 2.589 4.356 3.909 604 HD2 HIS 70 HD2 HIS 70 4.242 8.124 3.320 605 HE1 HIS 70 HE1 HIS 70 2.604 5.446 6.175 606 HE2 HIS 70 HE2 HIS 70 3.703 7.682 5.810 607 H GLN 71 H GLN 71 3.040 7.562 -1.010 608 HA GLN 71 HA GLN 71 3.280 5.552 -2.940 609 HB2 GLN 71 HB2 GLN 71 2.437 8.418 -2.974 610 HB3 GLN 71 HB1 GLN 71 2.723 7.617 -4.512 611 HG2 GLN 71 HG2 GLN 71 1.158 5.784 -3.555 612 HG3 GLN 71 HG1 GLN 71 0.644 7.057 -2.450 613 HE21 GLN 71 HE21 GLN 71 0.632 9.266 -3.975 614 HE22 GLN 71 HE22 GLN 71 -0.504 9.113 -5.267 615 H VAL 72 H VAL 72 4.933 8.701 -2.750 616 HA VAL 72 HA VAL 72 6.637 8.339 -4.942 617 HB VAL 72 HB VAL 72 7.465 9.841 -2.475 618 HG11 VAL 72 HG11 VAL 72 7.855 10.913 -5.197 619 HG12 VAL 72 HG12 VAL 72 8.784 9.473 -4.780 620 HG13 VAL 72 HG13 VAL 72 8.933 10.934 -3.802 621 HG21 VAL 72 HG21 VAL 72 6.276 11.810 -3.647 622 HG22 VAL 72 HG22 VAL 72 5.303 10.674 -2.714 623 HG23 VAL 72 HG23 VAL 72 5.349 10.559 -4.473 624 H GLU 73 H GLU 73 7.248 7.796 -1.467 625 HA GLU 73 HA GLU 73 9.831 6.756 -1.726 626 HB2 GLU 73 HB2 GLU 73 7.771 5.921 0.327 627 HB3 GLU 73 HB1 GLU 73 9.518 5.794 0.480 628 HG2 GLU 73 HG2 GLU 73 9.457 8.374 0.148 629 HG3 GLU 73 HG1 GLU 73 7.774 8.204 0.643 630 H TYR 74 H TYR 74 6.683 5.276 -2.106 631 HA TYR 74 HA TYR 74 7.499 2.583 -2.207 632 HB2 TYR 74 HB2 TYR 74 5.108 3.470 -2.091 633 HB3 TYR 74 HB1 TYR 74 5.236 3.772 -3.820 634 HD1 TYR 74 HD1 TYR 74 5.950 1.712 -5.272 635 HD2 TYR 74 HD2 TYR 74 4.317 1.423 -1.355 636 HE1 TYR 74 HE1 TYR 74 5.285 -0.611 -5.728 637 HE2 TYR 74 HE2 TYR 74 3.648 -0.902 -1.798 638 HH TYR 74 HH TYR 74 3.140 -2.326 -3.772 639 H ASP 75 H ASP 75 7.493 5.208 -4.510 640 HA ASP 75 HA ASP 75 8.144 3.613 -6.796 641 HB2 ASP 75 HB2 ASP 75 7.601 6.396 -6.228 642 HB3 ASP 75 HB1 ASP 75 9.025 6.247 -7.255 643 H GLN 76 H GLN 76 9.948 5.358 -4.332 644 HA GLN 76 HA GLN 76 12.474 5.269 -5.598 645 HB2 GLN 76 HB2 GLN 76 11.815 5.370 -2.649 646 HB3 GLN 76 HB1 GLN 76 13.387 5.720 -3.356 647 HG2 GLN 76 HG2 GLN 76 11.348 7.312 -4.608 648 HG3 GLN 76 HG1 GLN 76 11.300 7.506 -2.856 649 HE21 GLN 76 HE21 GLN 76 12.698 8.855 -1.955 650 HE22 GLN 76 HE22 GLN 76 14.082 9.538 -2.731 651 H LEU 77 H LEU 77 10.687 2.968 -3.672 652 HA LEU 77 HA LEU 77 12.962 1.197 -3.372 653 HB2 LEU 77 HB2 LEU 77 10.081 1.075 -2.536 654 HB3 LEU 77 HB1 LEU 77 11.112 -0.339 -2.429 655 HG LEU 77 HG LEU 77 11.735 2.283 -1.072 656 HD11 LEU 77 HD11 LEU 77 9.614 0.789 -0.405 657 HD12 LEU 77 HD12 LEU 77 10.591 1.665 0.773 658 HD13 LEU 77 HD13 LEU 77 10.867 -0.055 0.504 659 HD21 LEU 77 HD21 LEU 77 13.576 1.296 -0.220 660 HD22 LEU 77 HD22 LEU 77 13.438 0.285 -1.659 661 HD23 LEU 77 HD23 LEU 77 12.810 -0.290 -0.116 662 H THR 78 H THR 78 10.099 1.489 -5.370 663 HA THR 78 HA THR 78 10.600 -1.088 -6.630 664 HB THR 78 HB THR 78 8.537 -0.474 -7.970 665 HG1 THR 78 HG1 THR 78 7.442 1.312 -7.452 666 HG21 THR 78 HG21 THR 78 8.708 -1.500 -5.422 667 HG22 THR 78 HG22 THR 78 7.283 -1.507 -6.461 668 HG23 THR 78 HG23 THR 78 7.505 -0.218 -5.277 669 HA PRO 79 HA PRO 79 13.170 0.578 -9.848 670 HB2 PRO 79 HB2 PRO 79 11.873 -1.528 -11.504 671 HB3 PRO 79 HB1 PRO 79 13.589 -1.199 -11.243 672 HG2 PRO 79 HG2 PRO 79 12.409 -3.271 -10.060 673 HG3 PRO 79 HG1 PRO 79 13.630 -2.307 -9.207 674 HD2 PRO 79 HD2 PRO 79 10.657 -2.300 -8.909 675 HD3 PRO 79 HD1 PRO 79 11.917 -2.108 -7.673 676 H ARG 80 H ARG 80 12.355 2.540 -10.437 677 HA ARG 80 HA ARG 80 10.951 2.786 -12.850 678 HB2 ARG 80 HB2 ARG 80 9.277 2.459 -10.534 679 HB3 ARG 80 HB1 ARG 80 9.049 4.070 -11.203 680 HG2 ARG 80 HG2 ARG 80 8.713 2.955 -13.442 681 HG3 ARG 80 HG1 ARG 80 8.643 1.426 -12.566 682 HD2 ARG 80 HD2 ARG 80 6.882 2.758 -11.111 683 HD3 ARG 80 HD1 ARG 80 6.723 3.697 -12.595 684 HE ARG 80 HE ARG 80 5.822 1.006 -12.137 685 HH11 ARG 80 HH11 ARG 80 6.789 3.328 -14.557 686 HH12 ARG 80 HH12 ARG 80 5.914 2.551 -15.832 687 HH21 ARG 80 HH21 ARG 80 4.670 -0.019 -13.814 688 HH22 ARG 80 HH22 ARG 80 4.711 0.650 -15.412 689 H1 ASP 100 H ASP 100 -4.258 14.826 6.274 690 HA ASP 100 HA ASP 100 -6.403 12.971 7.010 691 HB2 ASP 100 HB2 ASP 100 -6.284 14.700 4.539 692 HB3 ASP 100 HB1 ASP 100 -7.315 13.277 4.660 693 H ASP 101 H ASP 101 -3.666 12.409 6.994 694 HA ASP 101 HA ASP 101 -3.306 10.814 4.549 695 HB2 ASP 101 HB2 ASP 101 -1.550 12.550 5.476 696 HB3 ASP 101 HB1 ASP 101 -1.112 11.219 6.543 697 H ASP 102 H ASP 102 -2.536 8.643 4.730 698 HA ASP 102 HA ASP 102 -2.586 6.521 5.546 699 HB2 ASP 102 HB2 ASP 102 -1.204 7.975 7.401 700 HB3 ASP 102 HB1 ASP 102 -2.480 7.274 8.391 701 H ARG 103 H ARG 103 -5.036 7.570 4.993 702 HA ARG 103 HA ARG 103 -6.739 6.701 7.231 703 HB2 ARG 103 HB2 ARG 103 -6.936 9.065 6.162 704 HB3 ARG 103 HB1 ARG 103 -7.749 8.224 4.849 705 HG2 ARG 103 HG2 ARG 103 -9.596 7.778 6.091 706 HG3 ARG 103 HG1 ARG 103 -8.691 7.678 7.604 707 HD2 ARG 103 HD2 ARG 103 -8.839 10.316 6.249 708 HD3 ARG 103 HD1 ARG 103 -10.297 9.720 7.043 709 HE ARG 103 HE ARG 103 -8.391 9.392 8.931 710 HH11 ARG 103 HH11 ARG 103 -9.367 12.111 6.974 711 HH12 ARG 103 HH12 ARG 103 -8.923 13.288 8.164 712 HH21 ARG 103 HH21 ARG 103 -7.805 10.938 10.498 713 HH22 ARG 103 HH22 ARG 103 -8.035 12.623 10.164 714 H TYR 104 H TYR 104 -6.250 6.417 3.739 715 HA TYR 104 HA TYR 104 -8.353 4.660 3.180 716 HB2 TYR 104 HB2 TYR 104 -5.652 4.901 1.839 717 HB3 TYR 104 HB1 TYR 104 -7.031 4.030 1.174 718 HD1 TYR 104 HD2 TYR 104 -9.044 5.278 0.444 719 HD2 TYR 104 HD1 TYR 104 -5.510 7.281 1.708 720 HE1 TYR 104 HE2 TYR 104 -9.846 7.348 -0.614 721 HE2 TYR 104 HE1 TYR 104 -6.302 9.358 0.654 722 HH TYR 104 HH TYR 104 -8.870 9.447 -1.527 723 H LEU 105 H LEU 105 -5.084 4.064 4.345 724 HA LEU 105 HA LEU 105 -5.018 1.285 4.041 725 HB2 LEU 105 HB2 LEU 105 -3.536 3.309 5.550 726 HB3 LEU 105 HB1 LEU 105 -3.562 1.740 6.333 727 HG LEU 105 HG LEU 105 -2.883 1.735 3.454 728 HD11 LEU 105 HD11 LEU 105 -0.868 2.668 5.485 729 HD12 LEU 105 HD12 LEU 105 -1.712 3.746 4.373 730 HD13 LEU 105 HD13 LEU 105 -0.646 2.489 3.745 731 HD21 LEU 105 HD21 LEU 105 -1.963 0.318 5.939 732 HD22 LEU 105 HD22 LEU 105 -1.136 0.145 4.390 733 HD23 LEU 105 HD23 LEU 105 -2.823 -0.345 4.550 734 H ARG 106 H ARG 106 -5.951 3.213 6.887 735 HA ARG 106 HA ARG 106 -6.683 1.045 8.509 736 HB2 ARG 106 HB2 ARG 106 -7.133 3.972 8.527 737 HB3 ARG 106 HB1 ARG 106 -8.267 3.011 9.465 738 HG2 ARG 106 HG2 ARG 106 -5.920 1.936 10.267 739 HG3 ARG 106 HG1 ARG 106 -5.433 3.602 9.950 740 HD2 ARG 106 HD2 ARG 106 -7.508 4.247 11.326 741 HD3 ARG 106 HD1 ARG 106 -7.486 2.573 11.880 742 HE ARG 106 HE ARG 106 -5.657 3.056 13.174 743 HH11 ARG 106 HH11 ARG 106 -6.159 5.653 10.897 744 HH12 ARG 106 HH12 ARG 106 -4.981 6.690 11.630 745 HH21 ARG 106 HH21 ARG 106 -4.108 4.419 14.139 746 HH22 ARG 106 HH22 ARG 106 -3.815 5.988 13.470 747 H GLU 107 H GLU 107 -8.445 2.836 6.062 748 HA GLU 107 HA GLU 107 -11.044 2.017 6.661 749 HB2 GLU 107 HB2 GLU 107 -9.692 2.793 4.089 750 HB3 GLU 107 HB1 GLU 107 -11.382 2.308 4.116 751 HG2 GLU 107 HG2 GLU 107 -10.137 4.636 5.556 752 HG3 GLU 107 HG1 GLU 107 -11.253 4.694 4.192 753 H ALA 108 H ALA 108 -8.821 0.598 4.254 754 HA ALA 108 HA ALA 108 -10.465 -1.701 3.850 755 HB1 ALA 108 HB1 ALA 108 -8.133 -2.493 2.816 756 HB2 ALA 108 HB2 ALA 108 -7.834 -0.756 2.879 757 HB3 ALA 108 HB3 ALA 108 -9.219 -1.380 1.982 758 H ILE 109 H ILE 109 -7.430 -1.112 5.587 759 HA ILE 109 HA ILE 109 -6.916 -3.707 6.446 760 HB ILE 109 HB ILE 109 -6.274 -1.051 7.725 761 HG12 ILE 109 HG12 ILE 109 -4.539 -3.040 6.249 762 HG13 ILE 109 HG11 ILE 109 -5.234 -1.591 5.531 763 HG21 ILE 109 HG21 ILE 109 -4.493 -2.508 8.934 764 HG22 ILE 109 HG22 ILE 109 -5.636 -3.820 8.645 765 HG23 ILE 109 HG23 ILE 109 -6.130 -2.412 9.584 766 HD11 ILE 109 HD11 ILE 109 -3.573 -1.292 7.970 767 HD12 ILE 109 HD12 ILE 109 -3.783 -0.202 6.601 768 HD13 ILE 109 HD13 ILE 109 -2.771 -1.637 6.439 769 H GLN 110 H GLN 110 -8.595 -1.113 8.245 770 HA GLN 110 HA GLN 110 -9.345 -2.754 10.409 771 HB2 GLN 110 HB2 GLN 110 -9.316 -0.186 10.268 772 HB3 GLN 110 HB1 GLN 110 -10.898 -0.334 9.519 773 HG2 GLN 110 HG2 GLN 110 -11.378 0.041 11.754 774 HG3 GLN 110 HG1 GLN 110 -11.536 -1.707 11.583 775 HE21 GLN 110 HE21 GLN 110 -10.612 -2.850 13.114 776 HE22 GLN 110 HE22 GLN 110 -9.266 -2.366 14.082 777 H GLU 111 H GLU 111 -10.887 -2.027 7.338 778 HA GLU 111 HA GLU 111 -13.441 -3.001 7.833 779 HB2 GLU 111 HB2 GLU 111 -11.754 -2.624 5.436 780 HB3 GLU 111 HB1 GLU 111 -13.056 -3.793 5.261 781 HG2 GLU 111 HG2 GLU 111 -13.400 -0.946 6.174 782 HG3 GLU 111 HG1 GLU 111 -13.688 -1.533 4.538 783 H TYR 112 H TYR 112 -10.496 -4.707 6.932 784 HA TYR 112 HA TYR 112 -11.739 -7.278 6.814 785 HB2 TYR 112 HB2 TYR 112 -9.544 -6.581 5.685 786 HB3 TYR 112 HB1 TYR 112 -8.800 -6.758 7.271 787 HD1 TYR 112 HD1 TYR 112 -11.190 -8.759 5.199 788 HD2 TYR 112 HD2 TYR 112 -7.619 -8.717 7.511 789 HE1 TYR 112 HE1 TYR 112 -10.900 -11.166 4.783 790 HE2 TYR 112 HE2 TYR 112 -7.319 -11.124 7.102 791 HH TYR 112 HH TYR 112 -9.154 -12.837 4.777 792 H ASP 113 H ASP 113 -10.147 -5.346 9.266 793 HA ASP 113 HA ASP 113 -9.793 -7.340 11.214 794 HB2 ASP 113 HB2 ASP 113 -9.077 -4.777 11.116 795 HB3 ASP 113 HB1 ASP 113 -10.554 -4.576 12.053 796 H ASN 114 H ASN 114 -12.566 -5.479 10.196 797 HA ASN 114 HA ASN 114 -14.217 -6.329 12.408 798 HB2 ASN 114 HB2 ASN 114 -14.438 -4.119 11.135 799 HB3 ASN 114 HB1 ASN 114 -15.176 -5.063 9.844 800 HD21 ASN 114 HD21 ASN 114 -17.180 -4.162 9.995 801 HD22 ASN 114 HD22 ASN 114 -18.224 -4.384 11.352 802 H ILE 115 H ILE 115 -13.614 -7.277 9.084 803 HA ILE 115 HA ILE 115 -15.833 -9.120 9.014 804 HB ILE 115 HB ILE 115 -13.536 -8.809 7.079 805 HG12 ILE 115 HG12 ILE 115 -16.336 -7.820 6.633 806 HG13 ILE 115 HG11 ILE 115 -15.179 -6.832 7.519 807 HG21 ILE 115 HG21 ILE 115 -15.132 -9.929 5.505 808 HG22 ILE 115 HG22 ILE 115 -16.143 -10.300 6.902 809 HG23 ILE 115 HG23 ILE 115 -14.509 -10.957 6.795 810 HD11 ILE 115 HD11 ILE 115 -14.954 -6.048 5.372 811 HD12 ILE 115 HD12 ILE 115 -15.169 -7.644 4.652 812 HD13 ILE 115 HD13 ILE 115 -13.654 -7.237 5.460 813 H ALA 116 H ALA 116 -12.403 -9.725 8.343 814 HA ALA 116 HA ALA 116 -11.055 -11.507 8.789 815 HB1 ALA 116 HB1 ALA 116 -11.840 -10.518 11.163 816 HB2 ALA 116 HB2 ALA 116 -10.719 -11.867 10.991 817 HB3 ALA 116 HB3 ALA 116 -12.426 -12.174 11.312 818 H LYS 117 H LYS 117 -11.662 -12.954 7.212 819 HA LYS 117 HA LYS 117 -13.945 -14.689 7.608 820 HB2 LYS 117 HB2 LYS 117 -12.042 -14.119 5.409 821 HB3 LYS 117 HB1 LYS 117 -12.719 -15.741 5.450 822 HG2 LYS 117 HG2 LYS 117 -14.910 -14.103 5.840 823 HG3 LYS 117 HG1 LYS 117 -13.936 -13.236 4.652 824 HD2 LYS 117 HD2 LYS 117 -14.237 -16.136 4.204 825 HD3 LYS 117 HD1 LYS 117 -15.705 -15.173 4.019 826 HE2 LYS 117 HE2 LYS 117 -14.857 -13.976 2.243 827 HE3 LYS 117 HE1 LYS 117 -13.182 -14.250 2.724 828 HZ1 LYS 117 HZ1 LYS 117 -14.700 -16.614 1.982 829 HZ2 LYS 117 HZ2 LYS 117 -13.097 -16.202 1.634 830 HZ3 LYS 117 HZ3 LYS 117 -14.357 -15.536 0.723 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -16.602 9.686 -2.708 2 H2 MET 1 HT2 MET 1 -15.250 9.051 -1.861 3 H3 MET 1 HT3 MET 1 -16.584 9.694 -0.994 4 HA MET 1 HA MET 1 -17.956 7.964 -1.562 5 HB2 MET 1 HB2 MET 1 -16.050 7.761 -3.792 6 HB3 MET 1 HB1 MET 1 -16.594 6.207 -3.174 7 HG2 MET 1 HG2 MET 1 -18.743 8.146 -3.573 8 HG3 MET 1 HG1 MET 1 -17.882 7.707 -5.047 9 HE1 MET 1 HE1 MET 1 -21.315 5.626 -3.403 10 HE2 MET 1 HE2 MET 1 -20.764 7.300 -3.307 11 HE3 MET 1 HE3 MET 1 -20.255 6.133 -2.087 12 H ASP 2 H ASP 2 -16.970 7.990 0.690 13 HA ASP 2 HA ASP 2 -14.759 6.368 1.334 14 HB2 ASP 2 HB2 ASP 2 -16.465 8.053 2.725 15 HB3 ASP 2 HB1 ASP 2 -16.805 6.469 3.415 16 H ARG 3 H ARG 3 -15.069 4.425 2.885 17 HA ARG 3 HA ARG 3 -15.708 2.273 3.230 18 HB2 ARG 3 HB2 ARG 3 -18.240 3.469 2.205 19 HB3 ARG 3 HB1 ARG 3 -18.127 1.718 2.298 20 HG2 ARG 3 HG2 ARG 3 -17.183 2.931 4.733 21 HG3 ARG 3 HG1 ARG 3 -18.812 3.485 4.339 22 HD2 ARG 3 HD2 ARG 3 -19.709 1.504 4.849 23 HD3 ARG 3 HD1 ARG 3 -18.488 0.628 3.925 24 HE ARG 3 HE ARG 3 -17.399 1.581 6.357 25 HH11 ARG 3 HH11 ARG 3 -19.528 -0.872 5.083 26 HH12 ARG 3 HH12 ARG 3 -19.218 -1.988 6.371 27 HH21 ARG 3 HH21 ARG 3 -16.988 0.114 8.051 28 HH22 ARG 3 HH22 ARG 3 -17.776 -1.428 8.056 29 H LYS 4 H LYS 4 -16.985 3.223 0.024 30 HA LYS 4 HA LYS 4 -16.671 0.800 -1.258 31 HB2 LYS 4 HB2 LYS 4 -17.843 2.726 -2.236 32 HB3 LYS 4 HB1 LYS 4 -16.308 3.557 -2.445 33 HG2 LYS 4 HG2 LYS 4 -16.260 2.690 -4.487 34 HG3 LYS 4 HG1 LYS 4 -15.914 1.140 -3.720 35 HD2 LYS 4 HD2 LYS 4 -18.758 1.921 -3.833 36 HD3 LYS 4 HD1 LYS 4 -17.995 1.556 -5.382 37 HE2 LYS 4 HE2 LYS 4 -17.584 -0.310 -3.095 38 HE3 LYS 4 HE1 LYS 4 -19.129 -0.334 -3.945 39 HZ1 LYS 4 HZ1 LYS 4 -16.725 -0.384 -5.590 40 HZ2 LYS 4 HZ2 LYS 4 -18.198 -1.189 -5.801 41 HZ3 LYS 4 HZ3 LYS 4 -17.059 -1.784 -4.700 42 H VAL 5 H VAL 5 -14.241 3.210 -0.508 43 HA VAL 5 HA VAL 5 -12.196 2.475 -2.225 44 HB VAL 5 HB VAL 5 -11.845 3.234 0.680 45 HG11 VAL 5 HG11 VAL 5 -9.644 3.452 0.300 46 HG12 VAL 5 HG12 VAL 5 -9.889 4.131 -1.309 47 HG13 VAL 5 HG13 VAL 5 -9.939 2.384 -1.072 48 HG21 VAL 5 HG21 VAL 5 -11.504 5.320 -1.339 49 HG22 VAL 5 HG22 VAL 5 -12.346 5.366 0.210 50 HG23 VAL 5 HG23 VAL 5 -13.156 4.716 -1.215 51 H ALA 6 H ALA 6 -13.278 0.970 0.760 52 HA ALA 6 HA ALA 6 -11.153 -0.932 0.904 53 HB1 ALA 6 HB1 ALA 6 -12.970 -0.066 2.689 54 HB2 ALA 6 HB2 ALA 6 -12.083 -1.583 2.856 55 HB3 ALA 6 HB3 ALA 6 -13.720 -1.586 2.200 56 H ARG 7 H ARG 7 -14.366 -0.865 -0.514 57 HA ARG 7 HA ARG 7 -14.544 -3.637 -1.087 58 HB2 ARG 7 HB2 ARG 7 -16.131 -1.286 -1.516 59 HB3 ARG 7 HB1 ARG 7 -16.038 -2.200 -3.016 60 HG2 ARG 7 HG2 ARG 7 -17.937 -3.013 -1.926 61 HG3 ARG 7 HG1 ARG 7 -16.695 -4.232 -1.634 62 HD2 ARG 7 HD2 ARG 7 -17.632 -3.979 0.462 63 HD3 ARG 7 HD1 ARG 7 -16.249 -2.889 0.539 64 HE ARG 7 HE ARG 7 -17.694 -1.124 0.716 65 HH11 ARG 7 HH11 ARG 7 -19.460 -3.920 -0.397 66 HH12 ARG 7 HH12 ARG 7 -21.008 -3.156 -0.250 67 HH21 ARG 7 HH21 ARG 7 -19.728 -0.118 0.911 68 HH22 ARG 7 HH22 ARG 7 -21.161 -0.998 0.492 69 H GLU 8 H GLU 8 -13.287 -0.879 -2.870 70 HA GLU 8 HA GLU 8 -12.851 -2.319 -5.290 71 HB2 GLU 8 HB2 GLU 8 -11.736 0.293 -4.261 72 HB3 GLU 8 HB1 GLU 8 -11.373 -0.348 -5.858 73 HG2 GLU 8 HG2 GLU 8 -14.216 -0.307 -5.371 74 HG3 GLU 8 HG1 GLU 8 -13.500 1.288 -5.144 75 H PHE 9 H PHE 9 -10.811 -1.441 -2.535 76 HA PHE 9 HA PHE 9 -8.399 -2.471 -3.564 77 HB2 PHE 9 HB2 PHE 9 -8.661 -0.944 -1.560 78 HB3 PHE 9 HB1 PHE 9 -9.163 -2.361 -0.643 79 HD1 PHE 9 HD2 PHE 9 -6.470 -1.890 -3.173 80 HD2 PHE 9 HD1 PHE 9 -7.477 -2.860 0.846 81 HE1 PHE 9 HE2 PHE 9 -4.112 -2.420 -2.714 82 HE2 PHE 9 HE1 PHE 9 -5.121 -3.391 1.314 83 HZ PHE 9 HZ PHE 9 -3.435 -3.171 -0.468 84 H ARG 10 H ARG 10 -10.918 -3.910 -1.528 85 HA ARG 10 HA ARG 10 -9.608 -6.434 -1.305 86 HB2 ARG 10 HB2 ARG 10 -11.597 -7.198 -0.218 87 HB3 ARG 10 HB1 ARG 10 -11.307 -5.551 0.318 88 HG2 ARG 10 HG2 ARG 10 -12.982 -4.760 -1.312 89 HG3 ARG 10 HG1 ARG 10 -13.315 -6.438 -1.741 90 HD2 ARG 10 HD2 ARG 10 -13.481 -5.535 1.108 91 HD3 ARG 10 HD1 ARG 10 -14.823 -5.247 0.000 92 HE ARG 10 HE ARG 10 -14.084 -7.733 1.189 93 HH11 ARG 10 HH11 ARG 10 -15.530 -6.299 -1.644 94 HH12 ARG 10 HH12 ARG 10 -16.457 -7.707 -2.037 95 HH21 ARG 10 HH21 ARG 10 -15.304 -9.586 0.673 96 HH22 ARG 10 HH22 ARG 10 -16.329 -9.574 -0.722 97 H HIS 11 H HIS 11 -12.271 -5.191 -3.311 98 HA HIS 11 HA HIS 11 -12.835 -7.605 -4.638 99 HB2 HIS 11 HB2 HIS 11 -14.296 -5.583 -4.661 100 HB3 HIS 11 HB1 HIS 11 -13.145 -4.806 -5.744 101 HD1 HIS 11 HD1 HIS 11 -15.608 -4.828 -7.111 102 HD2 HIS 11 HD2 HIS 11 -13.388 -8.335 -6.924 103 HE1 HIS 11 HE1 HIS 11 -16.460 -6.263 -8.991 104 HE2 HIS 11 HE2 HIS 11 -15.163 -8.416 -8.802 105 H LYS 12 H LYS 12 -10.564 -4.997 -5.381 106 HA LYS 12 HA LYS 12 -9.740 -5.922 -7.900 107 HB2 LYS 12 HB2 LYS 12 -8.611 -4.104 -5.833 108 HB3 LYS 12 HB1 LYS 12 -7.508 -4.709 -7.059 109 HG2 LYS 12 HG2 LYS 12 -10.111 -3.477 -7.851 110 HG3 LYS 12 HG1 LYS 12 -8.723 -2.466 -7.444 111 HD2 LYS 12 HD2 LYS 12 -7.643 -4.342 -9.143 112 HD3 LYS 12 HD1 LYS 12 -9.244 -4.065 -9.830 113 HE2 LYS 12 HE2 LYS 12 -8.269 -2.321 -10.851 114 HE3 LYS 12 HE1 LYS 12 -8.442 -1.523 -9.289 115 HZ1 LYS 12 HZ1 LYS 12 -6.147 -2.721 -8.882 116 HZ2 LYS 12 HZ2 LYS 12 -6.237 -1.210 -9.635 117 HZ3 LYS 12 HZ3 LYS 12 -6.050 -2.609 -10.567 118 H VAL 13 H VAL 13 -8.249 -6.396 -4.698 119 HA VAL 13 HA VAL 13 -6.164 -8.055 -5.449 120 HB VAL 13 HB VAL 13 -7.754 -8.297 -2.892 121 HG11 VAL 13 HG11 VAL 13 -4.848 -8.732 -2.897 122 HG12 VAL 13 HG12 VAL 13 -5.788 -9.942 -3.769 123 HG13 VAL 13 HG13 VAL 13 -6.129 -9.618 -2.070 124 HG21 VAL 13 HG21 VAL 13 -6.871 -6.391 -2.133 125 HG22 VAL 13 HG22 VAL 13 -6.500 -6.029 -3.817 126 HG23 VAL 13 HG23 VAL 13 -5.276 -6.769 -2.785 127 H ASP 14 H ASP 14 -9.539 -8.830 -4.836 128 HA ASP 14 HA ASP 14 -9.209 -11.655 -4.977 129 HB2 ASP 14 HB2 ASP 14 -11.145 -10.528 -3.878 130 HB3 ASP 14 HB1 ASP 14 -11.717 -10.038 -5.469 131 H PHE 15 H PHE 15 -9.654 -9.121 -7.325 132 HA PHE 15 HA PHE 15 -10.493 -10.779 -9.481 133 HB2 PHE 15 HB2 PHE 15 -10.320 -8.069 -9.081 134 HB3 PHE 15 HB1 PHE 15 -8.987 -8.357 -10.194 135 HD1 PHE 15 HD1 PHE 15 -12.489 -9.607 -9.830 136 HD2 PHE 15 HD2 PHE 15 -9.513 -7.945 -12.379 137 HE1 PHE 15 HE1 PHE 15 -14.075 -9.661 -11.710 138 HE2 PHE 15 HE2 PHE 15 -11.095 -7.995 -14.263 139 HZ PHE 15 HZ PHE 15 -13.380 -8.853 -13.930 140 H LEU 16 H LEU 16 -7.427 -9.831 -8.139 141 HA LEU 16 HA LEU 16 -5.922 -10.972 -10.344 142 HB2 LEU 16 HB2 LEU 16 -4.642 -10.116 -7.794 143 HB3 LEU 16 HB1 LEU 16 -4.047 -9.982 -9.438 144 HG LEU 16 HG LEU 16 -6.378 -8.328 -8.515 145 HD11 LEU 16 HD11 LEU 16 -4.975 -7.487 -6.954 146 HD12 LEU 16 HD12 LEU 16 -4.357 -6.581 -8.335 147 HD13 LEU 16 HD13 LEU 16 -3.527 -8.041 -7.795 148 HD21 LEU 16 HD21 LEU 16 -4.314 -7.402 -10.431 149 HD22 LEU 16 HD22 LEU 16 -6.059 -7.137 -10.422 150 HD23 LEU 16 HD23 LEU 16 -5.403 -8.680 -10.970 151 H ILE 17 H ILE 17 -6.244 -11.542 -6.859 152 HA ILE 17 HA ILE 17 -4.886 -14.086 -7.055 153 HB ILE 17 HB ILE 17 -6.303 -13.133 -4.602 154 HG12 ILE 17 HG12 ILE 17 -4.978 -11.226 -5.409 155 HG13 ILE 17 HG11 ILE 17 -4.305 -11.901 -3.929 156 HG21 ILE 17 HG21 ILE 17 -4.697 -15.332 -5.240 157 HG22 ILE 17 HG22 ILE 17 -5.267 -14.840 -3.645 158 HG23 ILE 17 HG23 ILE 17 -3.700 -14.283 -4.231 159 HD11 ILE 17 HD11 ILE 17 -2.745 -11.246 -5.894 160 HD12 ILE 17 HD12 ILE 17 -3.251 -12.795 -6.568 161 HD13 ILE 17 HD13 ILE 17 -2.452 -12.735 -4.996 162 H GLU 18 H GLU 18 -8.035 -13.038 -5.829 163 HA GLU 18 HA GLU 18 -10.034 -14.038 -5.768 164 HB2 GLU 18 HB2 GLU 18 -9.809 -14.337 -8.178 165 HB3 GLU 18 HB1 GLU 18 -8.884 -15.812 -7.916 166 HG2 GLU 18 HG2 GLU 18 -10.730 -16.963 -7.103 167 HG3 GLU 18 HG1 GLU 18 -11.654 -15.481 -6.869 168 H ASN 19 H ASN 19 -7.353 -15.230 -4.684 169 HA ASN 19 HA ASN 19 -8.408 -17.788 -3.735 170 HB2 ASN 19 HB2 ASN 19 -5.757 -16.774 -4.332 171 HB3 ASN 19 HB1 ASN 19 -5.823 -17.472 -2.718 172 HD21 ASN 19 HD21 ASN 19 -4.437 -19.132 -3.443 173 HD22 ASN 19 HD22 ASN 19 -5.041 -20.447 -4.386 174 H ASP 20 H ASP 20 -7.491 -18.247 -1.365 175 HA ASP 20 HA ASP 20 -8.397 -15.992 0.284 176 HB2 ASP 20 HB2 ASP 20 -8.605 -18.970 0.734 177 HB3 ASP 20 HB1 ASP 20 -8.933 -17.784 1.992 178 H ALA 21 H ALA 21 -6.132 -18.729 0.216 179 HA ALA 21 HA ALA 21 -4.717 -18.119 2.538 180 HB1 ALA 21 HB1 ALA 21 -3.128 -19.667 1.846 181 HB2 ALA 21 HB2 ALA 21 -3.369 -19.295 0.138 182 HB3 ALA 21 HB3 ALA 21 -4.595 -20.202 1.025 183 H GLU 22 H GLU 22 -4.230 -17.020 -0.781 184 HA GLU 22 HA GLU 22 -1.855 -15.563 -0.265 185 HB2 GLU 22 HB2 GLU 22 -3.847 -15.669 -2.482 186 HB3 GLU 22 HB1 GLU 22 -2.745 -14.301 -2.425 187 HG2 GLU 22 HG2 GLU 22 -1.630 -15.785 -3.784 188 HG3 GLU 22 HG1 GLU 22 -0.901 -16.094 -2.208 189 H LYS 23 H LYS 23 -5.270 -14.600 -0.471 190 HA LYS 23 HA LYS 23 -4.840 -11.857 0.045 191 HB2 LYS 23 HB2 LYS 23 -7.045 -13.501 -0.493 192 HB3 LYS 23 HB1 LYS 23 -7.370 -12.817 1.093 193 HG2 LYS 23 HG2 LYS 23 -6.848 -10.558 0.066 194 HG3 LYS 23 HG1 LYS 23 -6.922 -11.372 -1.499 195 HD2 LYS 23 HD2 LYS 23 -9.148 -11.467 0.529 196 HD3 LYS 23 HD1 LYS 23 -9.056 -10.262 -0.757 197 HE2 LYS 23 HE2 LYS 23 -9.333 -11.862 -2.437 198 HE3 LYS 23 HE1 LYS 23 -8.913 -13.194 -1.361 199 HZ1 LYS 23 HZ1 LYS 23 -11.257 -11.630 -0.634 200 HZ2 LYS 23 HZ2 LYS 23 -10.993 -13.298 -0.530 201 HZ3 LYS 23 HZ3 LYS 23 -11.405 -12.598 -2.014 202 H ASP 24 H ASP 24 -5.133 -14.661 2.103 203 HA ASP 24 HA ASP 24 -5.577 -13.349 4.549 204 HB2 ASP 24 HB2 ASP 24 -5.442 -15.948 3.806 205 HB3 ASP 24 HB1 ASP 24 -3.872 -15.772 4.584 206 H TYR 25 H TYR 25 -2.569 -14.446 2.994 207 HA TYR 25 HA TYR 25 -0.864 -13.336 4.968 208 HB2 TYR 25 HB2 TYR 25 -0.097 -15.138 3.499 209 HB3 TYR 25 HB1 TYR 25 -0.282 -14.095 2.094 210 HD1 TYR 25 HD2 TYR 25 1.521 -14.227 5.362 211 HD2 TYR 25 HD1 TYR 25 1.572 -12.956 1.300 212 HE1 TYR 25 HE2 TYR 25 3.841 -13.460 5.637 213 HE2 TYR 25 HE1 TYR 25 3.892 -12.186 1.566 214 HH TYR 25 HH TYR 25 5.891 -13.105 3.809 215 H LEU 26 H LEU 26 -1.921 -12.165 1.776 216 HA LEU 26 HA LEU 26 -0.414 -9.802 1.787 217 HB2 LEU 26 HB2 LEU 26 -1.830 -10.795 -0.116 218 HB3 LEU 26 HB1 LEU 26 -3.200 -10.011 0.647 219 HG LEU 26 HG LEU 26 -0.776 -8.413 -0.095 220 HD11 LEU 26 HD11 LEU 26 -1.750 -9.853 -2.030 221 HD12 LEU 26 HD12 LEU 26 -1.427 -8.139 -2.287 222 HD13 LEU 26 HD13 LEU 26 -3.074 -8.689 -1.981 223 HD21 LEU 26 HD21 LEU 26 -2.921 -6.859 -0.536 224 HD22 LEU 26 HD22 LEU 26 -2.112 -6.979 1.026 225 HD23 LEU 26 HD23 LEU 26 -3.569 -7.919 0.715 226 H TYR 27 H TYR 27 -3.579 -10.589 3.120 227 HA TYR 27 HA TYR 27 -4.191 -8.004 4.084 228 HB2 TYR 27 HB2 TYR 27 -5.182 -10.749 4.555 229 HB3 TYR 27 HB1 TYR 27 -5.398 -9.641 5.905 230 HD1 TYR 27 HD2 TYR 27 -6.244 -7.191 5.019 231 HD2 TYR 27 HD1 TYR 27 -7.005 -10.942 3.161 232 HE1 TYR 27 HE2 TYR 27 -8.238 -6.244 3.935 233 HE2 TYR 27 HE1 TYR 27 -9.000 -10.006 2.072 234 HH TYR 27 HH TYR 27 -10.630 -7.722 2.866 235 H ASP 28 H ASP 28 -2.201 -10.645 5.245 236 HA ASP 28 HA ASP 28 -1.786 -9.583 7.864 237 HB2 ASP 28 HB2 ASP 28 -0.781 -11.846 6.265 238 HB3 ASP 28 HB1 ASP 28 0.379 -11.192 7.418 239 H VAL 29 H VAL 29 -0.226 -9.234 4.724 240 HA VAL 29 HA VAL 29 2.165 -8.032 5.622 241 HB VAL 29 HB VAL 29 0.729 -7.588 2.997 242 HG11 VAL 29 HG11 VAL 29 2.453 -5.895 3.517 243 HG12 VAL 29 HG12 VAL 29 2.874 -6.895 2.127 244 HG13 VAL 29 HG13 VAL 29 3.638 -7.190 3.688 245 HG21 VAL 29 HG21 VAL 29 1.103 -9.877 3.055 246 HG22 VAL 29 HG22 VAL 29 2.610 -9.713 3.953 247 HG23 VAL 29 HG23 VAL 29 2.548 -9.270 2.248 248 H LEU 30 H LEU 30 -0.820 -6.545 4.353 249 HA LEU 30 HA LEU 30 -0.045 -3.885 4.860 250 HB2 LEU 30 HB2 LEU 30 -2.874 -4.933 4.847 251 HB3 LEU 30 HB1 LEU 30 -2.344 -3.301 4.490 252 HG LEU 30 HG LEU 30 -1.223 -5.400 2.745 253 HD11 LEU 30 HD11 LEU 30 -4.144 -4.924 3.014 254 HD12 LEU 30 HD12 LEU 30 -3.270 -6.399 2.600 255 HD13 LEU 30 HD13 LEU 30 -3.471 -5.126 1.397 256 HD21 LEU 30 HD21 LEU 30 -2.639 -3.040 1.695 257 HD22 LEU 30 HD22 LEU 30 -1.062 -3.703 1.267 258 HD23 LEU 30 HD23 LEU 30 -1.238 -2.708 2.713 259 H ARG 31 H ARG 31 -1.556 -6.346 6.833 260 HA ARG 31 HA ARG 31 -2.424 -4.690 8.948 261 HB2 ARG 31 HB2 ARG 31 -2.027 -7.584 8.511 262 HB3 ARG 31 HB1 ARG 31 -1.947 -7.058 10.187 263 HG2 ARG 31 HG2 ARG 31 -4.182 -5.771 9.334 264 HG3 ARG 31 HG1 ARG 31 -4.240 -7.252 8.377 265 HD2 ARG 31 HD2 ARG 31 -3.783 -8.463 10.595 266 HD3 ARG 31 HD1 ARG 31 -4.231 -6.940 11.360 267 HE ARG 31 HE ARG 31 -6.279 -7.477 9.635 268 HH11 ARG 31 HH11 ARG 31 -4.771 -9.183 12.278 269 HH12 ARG 31 HH12 ARG 31 -6.216 -10.023 12.725 270 HH21 ARG 31 HH21 ARG 31 -8.183 -8.581 10.221 271 HH22 ARG 31 HH22 ARG 31 -8.153 -9.682 11.557 272 H MET 32 H MET 32 0.609 -6.402 8.329 273 HA MET 32 HA MET 32 1.770 -5.622 10.836 274 HB2 MET 32 HB2 MET 32 2.942 -7.456 10.273 275 HB3 MET 32 HB1 MET 32 2.469 -7.335 8.587 276 HG2 MET 32 HG2 MET 32 4.307 -6.023 8.038 277 HG3 MET 32 HG1 MET 32 4.608 -5.574 9.715 278 HE1 MET 32 HE1 MET 32 6.993 -7.856 11.044 279 HE2 MET 32 HE2 MET 32 5.339 -8.229 11.530 280 HE3 MET 32 HE3 MET 32 5.821 -6.555 11.250 281 H TYR 33 H TYR 33 1.694 -4.411 7.565 282 HA TYR 33 HA TYR 33 3.845 -2.587 7.766 283 HB2 TYR 33 HB2 TYR 33 3.043 -3.174 5.587 284 HB3 TYR 33 HB1 TYR 33 1.408 -2.658 5.982 285 HD1 TYR 33 HD1 TYR 33 4.713 -0.972 6.418 286 HD2 TYR 33 HD2 TYR 33 0.866 -0.880 4.604 287 HE1 TYR 33 HE1 TYR 33 5.202 1.260 5.508 288 HE2 TYR 33 HE2 TYR 33 1.345 1.352 3.689 289 HH TYR 33 HH TYR 33 4.156 3.164 4.631 290 H HIS 34 H HIS 34 0.484 -2.451 8.706 291 HA HIS 34 HA HIS 34 0.329 0.360 9.065 292 HB2 HIS 34 HB2 HIS 34 -1.658 -1.095 8.835 293 HB3 HIS 34 HB1 HIS 34 -1.293 -1.821 10.397 294 HD1 HIS 34 HD1 HIS 34 -1.164 0.121 12.411 295 HD2 HIS 34 HD2 HIS 34 -3.437 0.920 9.027 296 HE1 HIS 34 HE1 HIS 34 -2.750 1.951 13.085 297 HE2 HIS 34 HE2 HIS 34 -4.056 2.479 10.997 298 H GLN 35 H GLN 35 1.318 -2.307 11.123 299 HA GLN 35 HA GLN 35 1.468 -0.710 13.502 300 HB2 GLN 35 HB2 GLN 35 1.487 -3.450 12.909 301 HB3 GLN 35 HB1 GLN 35 3.058 -3.117 13.625 302 HG2 GLN 35 HG2 GLN 35 1.944 -3.499 15.537 303 HG3 GLN 35 HG1 GLN 35 1.499 -1.802 15.359 304 HE21 GLN 35 HE21 GLN 35 0.418 -5.072 15.258 305 HE22 GLN 35 HE22 GLN 35 -1.269 -4.738 15.085 306 H THR 36 H THR 36 3.914 -2.273 11.457 307 HA THR 36 HA THR 36 6.079 -0.908 12.738 308 HB THR 36 HB THR 36 6.397 -3.125 11.775 309 HG1 THR 36 HG1 THR 36 8.171 -1.632 11.812 310 HG21 THR 36 HG21 THR 36 5.611 -3.706 9.799 311 HG22 THR 36 HG22 THR 36 6.693 -2.547 9.027 312 HG23 THR 36 HG23 THR 36 5.072 -2.051 9.513 313 H MET 37 H MET 37 4.112 -0.338 9.910 314 HA MET 37 HA MET 37 3.972 1.419 8.470 315 HB2 MET 37 HB2 MET 37 5.302 2.628 10.849 316 HB3 MET 37 HB1 MET 37 5.268 3.560 9.358 317 HG2 MET 37 HG2 MET 37 2.871 2.456 10.804 318 HG3 MET 37 HG1 MET 37 3.409 4.134 10.815 319 HE1 MET 37 HE1 MET 37 0.102 3.913 9.304 320 HE2 MET 37 HE2 MET 37 0.821 2.641 10.292 321 HE3 MET 37 HE3 MET 37 0.359 2.307 8.623 322 H ASP 38 H ASP 38 5.914 -0.499 7.946 323 HA ASP 38 HA ASP 38 8.144 1.088 6.857 324 HB2 ASP 38 HB2 ASP 38 7.973 -1.805 7.687 325 HB3 ASP 38 HB1 ASP 38 9.278 -1.198 6.674 326 H VAL 39 H VAL 39 7.796 1.588 4.801 327 HA VAL 39 HA VAL 39 6.027 0.197 3.087 328 HB VAL 39 HB VAL 39 8.234 2.100 2.289 329 HG11 VAL 39 HG11 VAL 39 6.325 2.532 0.492 330 HG12 VAL 39 HG12 VAL 39 5.957 0.847 0.861 331 HG13 VAL 39 HG13 VAL 39 7.559 1.291 0.273 332 HG21 VAL 39 HG21 VAL 39 5.368 2.864 2.708 333 HG22 VAL 39 HG22 VAL 39 6.793 3.899 2.627 334 HG23 VAL 39 HG23 VAL 39 6.520 2.884 4.044 335 H ALA 40 H ALA 40 9.382 -0.218 3.842 336 HA ALA 40 HA ALA 40 10.076 -1.672 1.480 337 HB1 ALA 40 HB1 ALA 40 11.594 -0.429 3.225 338 HB2 ALA 40 HB2 ALA 40 12.180 -1.860 2.376 339 HB3 ALA 40 HB3 ALA 40 11.585 -1.999 4.029 340 H VAL 41 H VAL 41 8.615 -2.424 4.525 341 HA VAL 41 HA VAL 41 9.117 -5.243 4.376 342 HB VAL 41 HB VAL 41 7.135 -3.759 6.106 343 HG11 VAL 41 HG11 VAL 41 7.786 -5.963 7.502 344 HG12 VAL 41 HG12 VAL 41 7.913 -6.594 5.861 345 HG13 VAL 41 HG13 VAL 41 6.401 -5.875 6.413 346 HG21 VAL 41 HG21 VAL 41 8.768 -3.642 7.787 347 HG22 VAL 41 HG22 VAL 41 9.599 -3.138 6.314 348 HG23 VAL 41 HG23 VAL 41 9.834 -4.769 6.946 349 H LEU 42 H LEU 42 6.330 -3.119 3.810 350 HA LEU 42 HA LEU 42 4.517 -5.173 3.146 351 HB2 LEU 42 HB2 LEU 42 3.026 -3.504 2.549 352 HB3 LEU 42 HB1 LEU 42 4.051 -2.709 3.727 353 HG LEU 42 HG LEU 42 5.371 -1.918 1.591 354 HD11 LEU 42 HD11 LEU 42 4.383 -2.102 -0.404 355 HD12 LEU 42 HD12 LEU 42 2.787 -1.735 0.248 356 HD13 LEU 42 HD13 LEU 42 3.421 -3.376 0.342 357 HD21 LEU 42 HD21 LEU 42 3.820 -0.688 3.342 358 HD22 LEU 42 HD22 LEU 42 2.762 -0.541 1.939 359 HD23 LEU 42 HD23 LEU 42 4.394 0.123 1.885 360 H VAL 43 H VAL 43 6.761 -3.256 1.206 361 HA VAL 43 HA VAL 43 5.874 -4.215 -1.315 362 HB VAL 43 HB VAL 43 8.593 -3.126 -0.558 363 HG11 VAL 43 HG11 VAL 43 8.912 -2.691 -2.907 364 HG12 VAL 43 HG12 VAL 43 7.302 -3.310 -3.278 365 HG13 VAL 43 HG13 VAL 43 8.550 -4.403 -2.683 366 HG21 VAL 43 HG21 VAL 43 7.820 -1.006 -0.882 367 HG22 VAL 43 HG22 VAL 43 6.341 -1.755 -0.282 368 HG23 VAL 43 HG23 VAL 43 6.567 -1.518 -2.015 369 H GLY 44 H GLY 44 8.379 -5.263 0.954 370 HA2 GLY 44 HA2 GLY 44 9.625 -7.205 -0.612 371 HA3 GLY 44 HA1 GLY 44 9.514 -7.252 1.141 372 H ASP 45 H ASP 45 6.965 -7.672 1.719 373 HA ASP 45 HA ASP 45 6.558 -10.389 1.174 374 HB2 ASP 45 HB2 ASP 45 4.522 -8.349 2.099 375 HB3 ASP 45 HB1 ASP 45 4.364 -10.098 2.236 376 H LEU 46 H LEU 46 5.058 -7.493 -0.224 377 HA LEU 46 HA LEU 46 3.147 -8.658 -1.835 378 HB2 LEU 46 HB2 LEU 46 4.725 -6.157 -1.932 379 HB3 LEU 46 HB1 LEU 46 3.968 -6.645 -3.437 380 HG LEU 46 HG LEU 46 2.542 -6.151 -0.822 381 HD11 LEU 46 HD11 LEU 46 1.947 -4.567 -3.235 382 HD12 LEU 46 HD12 LEU 46 3.510 -4.265 -2.477 383 HD13 LEU 46 HD13 LEU 46 2.028 -4.076 -1.543 384 HD21 LEU 46 HD21 LEU 46 0.695 -7.071 -1.671 385 HD22 LEU 46 HD22 LEU 46 1.752 -7.830 -2.861 386 HD23 LEU 46 HD23 LEU 46 0.937 -6.314 -3.245 387 H LYS 47 H LYS 47 6.614 -8.347 -2.383 388 HA LYS 47 HA LYS 47 6.577 -9.275 -5.072 389 HB2 LYS 47 HB2 LYS 47 8.633 -8.720 -3.017 390 HB3 LYS 47 HB1 LYS 47 9.083 -9.886 -4.253 391 HG2 LYS 47 HG2 LYS 47 9.377 -8.298 -5.777 392 HG3 LYS 47 HG1 LYS 47 7.834 -7.535 -5.392 393 HD2 LYS 47 HD2 LYS 47 8.774 -6.189 -3.734 394 HD3 LYS 47 HD1 LYS 47 10.206 -7.212 -3.587 395 HE2 LYS 47 HE2 LYS 47 10.344 -6.438 -6.196 396 HE3 LYS 47 HE1 LYS 47 9.635 -5.012 -5.442 397 HZ1 LYS 47 HZ1 LYS 47 11.782 -4.524 -5.058 398 HZ2 LYS 47 HZ2 LYS 47 12.297 -6.133 -5.151 399 HZ3 LYS 47 HZ3 LYS 47 11.592 -5.553 -3.727 400 H LEU 48 H LEU 48 7.332 -10.849 -1.973 401 HA LEU 48 HA LEU 48 7.923 -13.393 -2.880 402 HB2 LEU 48 HB2 LEU 48 6.716 -12.335 -0.360 403 HB3 LEU 48 HB1 LEU 48 6.771 -14.070 -0.612 404 HG LEU 48 HG LEU 48 9.300 -12.562 -1.003 405 HD11 LEU 48 HD11 LEU 48 8.740 -13.372 1.774 406 HD12 LEU 48 HD12 LEU 48 7.920 -11.917 1.210 407 HD13 LEU 48 HD13 LEU 48 9.680 -12.018 1.150 408 HD21 LEU 48 HD21 LEU 48 9.104 -15.003 -1.357 409 HD22 LEU 48 HD22 LEU 48 8.669 -15.186 0.342 410 HD23 LEU 48 HD23 LEU 48 10.264 -14.577 -0.101 411 H VAL 49 H VAL 49 4.862 -11.771 -2.697 412 HA VAL 49 HA VAL 49 3.419 -14.246 -3.328 413 HB VAL 49 HB VAL 49 2.255 -11.514 -2.783 414 HG11 VAL 49 HG11 VAL 49 0.698 -13.940 -2.233 415 HG12 VAL 49 HG12 VAL 49 1.065 -13.667 -3.936 416 HG13 VAL 49 HG13 VAL 49 0.216 -12.431 -3.007 417 HG21 VAL 49 HG21 VAL 49 2.437 -13.799 -0.831 418 HG22 VAL 49 HG22 VAL 49 1.904 -12.145 -0.523 419 HG23 VAL 49 HG23 VAL 49 3.600 -12.474 -0.879 420 H ILE 50 H ILE 50 4.463 -11.216 -4.658 421 HA ILE 50 HA ILE 50 2.948 -11.699 -7.118 422 HB ILE 50 HB ILE 50 4.457 -9.229 -6.255 423 HG12 ILE 50 HG12 ILE 50 1.474 -9.488 -6.521 424 HG13 ILE 50 HG11 ILE 50 2.292 -9.923 -5.024 425 HG21 ILE 50 HG21 ILE 50 3.034 -9.963 -8.752 426 HG22 ILE 50 HG22 ILE 50 4.469 -8.968 -8.516 427 HG23 ILE 50 HG23 ILE 50 2.874 -8.309 -8.162 428 HD11 ILE 50 HD11 ILE 50 2.199 -7.233 -6.354 429 HD12 ILE 50 HD12 ILE 50 3.265 -7.619 -5.002 430 HD13 ILE 50 HD13 ILE 50 1.515 -7.701 -4.798 431 H ASN 51 H ASN 51 5.413 -13.110 -6.227 432 HA ASN 51 HA ASN 51 7.713 -12.392 -7.536 433 HB2 ASN 51 HB2 ASN 51 7.007 -14.543 -6.100 434 HB3 ASN 51 HB1 ASN 51 6.962 -15.262 -7.707 435 HD21 ASN 51 HD21 ASN 51 8.709 -16.591 -6.989 436 HD22 ASN 51 HD22 ASN 51 10.324 -15.980 -6.998 437 H GLU 52 H GLU 52 4.748 -13.586 -8.907 438 HA GLU 52 HA GLU 52 5.993 -13.945 -11.528 439 HB2 GLU 52 HB2 GLU 52 3.154 -14.472 -10.629 440 HB3 GLU 52 HB1 GLU 52 3.813 -14.859 -12.212 441 HG2 GLU 52 HG2 GLU 52 5.575 -16.121 -10.570 442 HG3 GLU 52 HG1 GLU 52 4.069 -16.274 -9.665 443 HA PRO 53 HA PRO 53 4.884 -9.927 -13.004 444 HB2 PRO 53 HB2 PRO 53 4.270 -11.264 -15.579 445 HB3 PRO 53 HB1 PRO 53 5.397 -9.948 -15.234 446 HG2 PRO 53 HG2 PRO 53 6.280 -12.415 -15.738 447 HG3 PRO 53 HG1 PRO 53 7.067 -11.388 -14.525 448 HD2 PRO 53 HD2 PRO 53 5.184 -13.679 -14.138 449 HD3 PRO 53 HD1 PRO 53 6.621 -13.227 -13.199 450 H SER 54 H SER 54 2.731 -12.633 -13.228 451 HA SER 54 HA SER 54 0.489 -11.335 -14.340 452 HB2 SER 54 HB2 SER 54 1.044 -13.904 -13.726 453 HB3 SER 54 HB1 SER 54 -0.003 -13.490 -12.369 454 HG SER 54 HG SER 54 -0.858 -14.255 -14.612 455 H ARG 55 H ARG 55 1.616 -11.692 -11.015 456 HA ARG 55 HA ARG 55 -0.724 -10.328 -9.971 457 HB2 ARG 55 HB2 ARG 55 1.746 -11.443 -8.643 458 HB3 ARG 55 HB1 ARG 55 0.457 -10.628 -7.768 459 HG2 ARG 55 HG2 ARG 55 -0.945 -12.388 -7.921 460 HG3 ARG 55 HG1 ARG 55 -0.375 -12.841 -9.528 461 HD2 ARG 55 HD2 ARG 55 1.792 -13.258 -7.797 462 HD3 ARG 55 HD1 ARG 55 0.377 -13.892 -6.957 463 HE ARG 55 HE ARG 55 1.663 -15.018 -9.237 464 HH11 ARG 55 HH11 ARG 55 -1.440 -14.640 -7.684 465 HH12 ARG 55 HH12 ARG 55 -2.107 -16.075 -8.389 466 HH21 ARG 55 HH21 ARG 55 0.786 -16.904 -10.165 467 HH22 ARG 55 HH22 ARG 55 -0.843 -17.361 -9.796 468 H LEU 56 H LEU 56 1.747 -9.155 -11.616 469 HA LEU 56 HA LEU 56 3.071 -7.255 -10.136 470 HB2 LEU 56 HB2 LEU 56 2.259 -7.496 -12.969 471 HB3 LEU 56 HB1 LEU 56 2.730 -5.896 -12.432 472 HG LEU 56 HG LEU 56 4.492 -8.287 -11.969 473 HD11 LEU 56 HD11 LEU 56 4.539 -6.454 -14.362 474 HD12 LEU 56 HD12 LEU 56 4.002 -8.133 -14.374 475 HD13 LEU 56 HD13 LEU 56 5.682 -7.747 -14.005 476 HD21 LEU 56 HD21 LEU 56 5.441 -6.646 -10.732 477 HD22 LEU 56 HD22 LEU 56 4.690 -5.354 -11.669 478 HD23 LEU 56 HD23 LEU 56 6.118 -6.181 -12.293 479 HA PRO 57 HA PRO 57 -0.742 -4.176 -11.437 480 HB2 PRO 57 HB2 PRO 57 -2.877 -5.924 -10.540 481 HB3 PRO 57 HB1 PRO 57 -2.707 -5.075 -12.075 482 HG2 PRO 57 HG2 PRO 57 -2.076 -7.856 -11.409 483 HG3 PRO 57 HG1 PRO 57 -2.298 -7.104 -12.998 484 HD2 PRO 57 HD2 PRO 57 0.110 -7.950 -12.114 485 HD3 PRO 57 HD1 PRO 57 -0.066 -6.543 -13.180 486 H LEU 58 H LEU 58 -0.496 -6.534 -8.813 487 HA LEU 58 HA LEU 58 -1.916 -5.220 -6.830 488 HB2 LEU 58 HB2 LEU 58 -0.010 -7.346 -6.974 489 HB3 LEU 58 HB1 LEU 58 0.393 -6.317 -5.613 490 HG LEU 58 HG LEU 58 -2.262 -7.672 -6.088 491 HD11 LEU 58 HD11 LEU 58 -0.369 -9.134 -5.386 492 HD12 LEU 58 HD12 LEU 58 -1.702 -9.064 -4.231 493 HD13 LEU 58 HD13 LEU 58 -0.222 -8.154 -3.926 494 HD21 LEU 58 HD21 LEU 58 -1.780 -5.321 -4.695 495 HD22 LEU 58 HD22 LEU 58 -1.808 -6.570 -3.450 496 HD23 LEU 58 HD23 LEU 58 -3.185 -6.373 -4.535 497 H PHE 59 H PHE 59 1.479 -4.768 -7.769 498 HA PHE 59 HA PHE 59 2.204 -2.955 -5.778 499 HB2 PHE 59 HB2 PHE 59 3.197 -3.044 -8.635 500 HB3 PHE 59 HB1 PHE 59 4.014 -2.273 -7.280 501 HD1 PHE 59 HD1 PHE 59 4.238 -3.989 -5.175 502 HD2 PHE 59 HD2 PHE 59 4.075 -5.045 -9.294 503 HE1 PHE 59 HE1 PHE 59 5.407 -6.096 -4.676 504 HE2 PHE 59 HE2 PHE 59 5.241 -7.155 -8.802 505 HZ PHE 59 HZ PHE 59 5.908 -7.684 -6.492 506 H ASP 60 H ASP 60 0.966 -2.295 -9.053 507 HA ASP 60 HA ASP 60 0.847 0.531 -8.624 508 HB2 ASP 60 HB2 ASP 60 0.571 -1.248 -10.833 509 HB3 ASP 60 HB1 ASP 60 -0.880 -0.253 -10.760 510 H ALA 61 H ALA 61 -1.256 -2.141 -8.066 511 HA ALA 61 HA ALA 61 -3.722 -0.755 -8.001 512 HB1 ALA 61 HB1 ALA 61 -4.484 -2.766 -6.709 513 HB2 ALA 61 HB2 ALA 61 -2.823 -3.355 -6.782 514 HB3 ALA 61 HB3 ALA 61 -3.740 -3.115 -8.269 515 H ILE 62 H ILE 62 -1.515 -1.794 -5.410 516 HA ILE 62 HA ILE 62 -3.041 -0.566 -3.337 517 HB ILE 62 HB ILE 62 -0.166 -1.447 -3.167 518 HG12 ILE 62 HG12 ILE 62 -2.379 -3.233 -2.295 519 HG13 ILE 62 HG11 ILE 62 -2.085 -3.110 -4.026 520 HG21 ILE 62 HG21 ILE 62 -0.420 -1.472 -0.874 521 HG22 ILE 62 HG22 ILE 62 -2.178 -1.579 -0.965 522 HG23 ILE 62 HG23 ILE 62 -1.368 -0.057 -1.332 523 HD11 ILE 62 HD11 ILE 62 -0.915 -4.962 -2.679 524 HD12 ILE 62 HD12 ILE 62 0.164 -3.674 -2.144 525 HD13 ILE 62 HD13 ILE 62 0.021 -4.048 -3.860 526 H ARG 63 H ARG 63 -0.209 0.413 -5.192 527 HA ARG 63 HA ARG 63 0.882 2.408 -3.723 528 HB2 ARG 63 HB2 ARG 63 0.926 1.654 -6.413 529 HB3 ARG 63 HB1 ARG 63 0.532 3.366 -6.430 530 HG2 ARG 63 HG2 ARG 63 2.528 3.565 -4.773 531 HG3 ARG 63 HG1 ARG 63 2.991 2.000 -5.442 532 HD2 ARG 63 HD2 ARG 63 2.426 3.404 -7.701 533 HD3 ARG 63 HD1 ARG 63 3.061 4.673 -6.654 534 HE ARG 63 HE ARG 63 5.143 3.729 -6.821 535 HH11 ARG 63 HH11 ARG 63 2.766 1.457 -7.992 536 HH12 ARG 63 HH12 ARG 63 3.945 0.353 -8.616 537 HH21 ARG 63 HH21 ARG 63 6.694 2.276 -7.641 538 HH22 ARG 63 HH22 ARG 63 6.175 0.818 -8.415 539 HA PRO 64 HA PRO 64 -2.419 5.649 -5.598 540 HB2 PRO 64 HB2 PRO 64 -4.652 3.665 -5.467 541 HB3 PRO 64 HB1 PRO 64 -4.431 5.042 -6.554 542 HG2 PRO 64 HG2 PRO 64 -3.940 2.560 -7.387 543 HG3 PRO 64 HG1 PRO 64 -2.911 3.914 -7.889 544 HD2 PRO 64 HD2 PRO 64 -2.361 1.740 -5.940 545 HD3 PRO 64 HD1 PRO 64 -1.241 2.635 -6.984 546 H LEU 65 H LEU 65 -3.816 3.091 -3.516 547 HA LEU 65 HA LEU 65 -5.093 4.922 -1.785 548 HB2 LEU 65 HB2 LEU 65 -5.751 3.084 -0.515 549 HB3 LEU 65 HB1 LEU 65 -5.630 2.462 -2.149 550 HG LEU 65 HG LEU 65 -3.113 1.990 -1.045 551 HD11 LEU 65 HD11 LEU 65 -4.981 0.792 0.909 552 HD12 LEU 65 HD12 LEU 65 -4.570 2.494 1.128 553 HD13 LEU 65 HD13 LEU 65 -3.295 1.274 1.096 554 HD21 LEU 65 HD21 LEU 65 -4.545 0.596 -2.589 555 HD22 LEU 65 HD22 LEU 65 -5.381 0.018 -1.148 556 HD23 LEU 65 HD23 LEU 65 -3.657 -0.292 -1.350 557 H ILE 66 H ILE 66 -1.856 3.666 -1.864 558 HA ILE 66 HA ILE 66 -1.235 4.178 0.864 559 HB ILE 66 HB ILE 66 0.040 2.825 -1.126 560 HG12 ILE 66 HG12 ILE 66 1.645 3.822 1.195 561 HG13 ILE 66 HG11 ILE 66 0.209 2.847 1.487 562 HG21 ILE 66 HG21 ILE 66 1.918 5.096 -0.585 563 HG22 ILE 66 HG22 ILE 66 0.832 5.120 -1.972 564 HG23 ILE 66 HG23 ILE 66 2.024 3.831 -1.810 565 HD11 ILE 66 HD11 ILE 66 2.161 1.822 -0.484 566 HD12 ILE 66 HD12 ILE 66 1.166 0.958 0.689 567 HD13 ILE 66 HD13 ILE 66 2.625 1.794 1.219 568 HA PRO 67 HA PRO 67 -0.880 8.579 1.267 569 HB2 PRO 67 HB2 PRO 67 1.802 8.354 2.302 570 HB3 PRO 67 HB1 PRO 67 0.316 8.729 3.172 571 HG2 PRO 67 HG2 PRO 67 1.746 6.179 2.940 572 HG3 PRO 67 HG1 PRO 67 0.540 6.686 4.131 573 HD2 PRO 67 HD2 PRO 67 0.024 4.832 2.230 574 HD3 PRO 67 HD1 PRO 67 -1.224 5.934 2.849 575 H LEU 68 H LEU 68 -0.331 10.105 0.059 576 HA LEU 68 HA LEU 68 0.858 9.879 -2.383 577 HB2 LEU 68 HB2 LEU 68 -0.009 11.944 -0.540 578 HB3 LEU 68 HB1 LEU 68 1.280 12.490 -1.596 579 HG LEU 68 HG LEU 68 -1.377 11.356 -2.436 580 HD11 LEU 68 HD11 LEU 68 -1.816 13.538 -1.821 581 HD12 LEU 68 HD12 LEU 68 -1.444 13.708 -3.537 582 HD13 LEU 68 HD13 LEU 68 -0.227 14.112 -2.326 583 HD21 LEU 68 HD21 LEU 68 -0.375 12.323 -4.712 584 HD22 LEU 68 HD22 LEU 68 -0.137 10.651 -4.201 585 HD23 LEU 68 HD23 LEU 68 1.132 11.845 -3.930 586 H LYS 69 H LYS 69 2.362 10.703 0.710 587 HA LYS 69 HA LYS 69 4.914 11.340 -0.404 588 HB2 LYS 69 HB2 LYS 69 5.712 11.195 1.944 589 HB3 LYS 69 HB1 LYS 69 4.307 12.237 1.761 590 HG2 LYS 69 HG2 LYS 69 2.867 10.454 2.596 591 HG3 LYS 69 HG1 LYS 69 4.271 9.397 2.765 592 HD2 LYS 69 HD2 LYS 69 4.019 10.216 4.913 593 HD3 LYS 69 HD1 LYS 69 5.213 11.324 4.234 594 HE2 LYS 69 HE2 LYS 69 3.875 13.037 4.675 595 HE3 LYS 69 HE1 LYS 69 2.639 12.345 3.625 596 HZ1 LYS 69 HZ1 LYS 69 2.993 11.600 6.476 597 HZ2 LYS 69 HZ2 LYS 69 1.721 11.152 5.454 598 HZ3 LYS 69 HZ3 LYS 69 1.891 12.765 5.933 599 H HIS 70 H HIS 70 3.516 8.494 1.168 600 HA HIS 70 HA HIS 70 5.842 6.892 1.008 601 HB2 HIS 70 HB2 HIS 70 2.917 6.245 1.349 602 HB3 HIS 70 HB1 HIS 70 4.148 4.987 1.279 603 HD1 HIS 70 HD1 HIS 70 3.097 4.608 3.798 604 HD2 HIS 70 HD2 HIS 70 5.531 7.923 3.208 605 HE1 HIS 70 HE1 HIS 70 3.836 5.316 6.096 606 HE2 HIS 70 HE2 HIS 70 5.388 7.263 5.704 607 H GLN 71 H GLN 71 3.379 7.760 -1.262 608 HA GLN 71 HA GLN 71 3.597 5.624 -3.076 609 HB2 GLN 71 HB2 GLN 71 2.599 8.412 -3.160 610 HB3 GLN 71 HB1 GLN 71 3.039 7.710 -4.711 611 HG2 GLN 71 HG2 GLN 71 1.572 5.711 -3.892 612 HG3 GLN 71 HG1 GLN 71 0.879 6.925 -2.817 613 HE21 GLN 71 HE21 GLN 71 1.213 5.840 -6.084 614 HE22 GLN 71 HE22 GLN 71 0.038 6.899 -6.778 615 H VAL 72 H VAL 72 5.209 8.797 -3.033 616 HA VAL 72 HA VAL 72 6.892 8.375 -5.234 617 HB VAL 72 HB VAL 72 7.726 9.973 -2.831 618 HG11 VAL 72 HG11 VAL 72 8.456 9.841 -5.689 619 HG12 VAL 72 HG12 VAL 72 9.446 10.214 -4.279 620 HG13 VAL 72 HG13 VAL 72 8.391 11.448 -4.967 621 HG21 VAL 72 HG21 VAL 72 6.487 11.816 -4.377 622 HG22 VAL 72 HG22 VAL 72 5.739 11.027 -2.988 623 HG23 VAL 72 HG23 VAL 72 5.432 10.422 -4.616 624 H GLU 73 H GLU 73 7.490 7.909 -1.748 625 HA GLU 73 HA GLU 73 10.094 6.891 -1.993 626 HB2 GLU 73 HB2 GLU 73 8.975 7.601 0.151 627 HB3 GLU 73 HB1 GLU 73 8.064 6.098 0.106 628 HG2 GLU 73 HG2 GLU 73 10.152 4.832 0.213 629 HG3 GLU 73 HG1 GLU 73 11.058 6.342 0.272 630 H TYR 74 H TYR 74 6.942 5.382 -2.262 631 HA TYR 74 HA TYR 74 7.736 2.688 -2.308 632 HB2 TYR 74 HB2 TYR 74 5.348 3.631 -2.267 633 HB3 TYR 74 HB1 TYR 74 5.518 3.837 -4.007 634 HD1 TYR 74 HD1 TYR 74 6.170 1.714 -5.357 635 HD2 TYR 74 HD2 TYR 74 4.573 1.615 -1.415 636 HE1 TYR 74 HE1 TYR 74 5.479 -0.621 -5.701 637 HE2 TYR 74 HE2 TYR 74 3.878 -0.721 -1.749 638 HH TYR 74 HH TYR 74 3.308 -2.148 -4.133 639 H ASP 75 H ASP 75 7.796 5.259 -4.665 640 HA ASP 75 HA ASP 75 8.478 3.604 -6.891 641 HB2 ASP 75 HB2 ASP 75 7.963 6.404 -6.407 642 HB3 ASP 75 HB1 ASP 75 9.410 6.212 -7.393 643 H GLN 76 H GLN 76 10.313 5.759 -4.731 644 HA GLN 76 HA GLN 76 12.836 5.215 -5.894 645 HB2 GLN 76 HB2 GLN 76 12.356 6.064 -3.040 646 HB3 GLN 76 HB1 GLN 76 13.777 6.370 -4.030 647 HG2 GLN 76 HG2 GLN 76 11.341 7.424 -5.211 648 HG3 GLN 76 HG1 GLN 76 11.674 8.092 -3.614 649 HE21 GLN 76 HE21 GLN 76 12.274 10.105 -4.226 650 HE22 GLN 76 HE22 GLN 76 13.675 10.450 -5.177 651 H LEU 77 H LEU 77 10.838 3.353 -3.833 652 HA LEU 77 HA LEU 77 13.092 1.785 -2.844 653 HB2 LEU 77 HB2 LEU 77 10.179 1.850 -2.111 654 HB3 LEU 77 HB1 LEU 77 11.272 0.615 -1.516 655 HG LEU 77 HG LEU 77 11.576 3.580 -1.034 656 HD11 LEU 77 HD11 LEU 77 10.881 3.138 1.220 657 HD12 LEU 77 HD12 LEU 77 10.755 1.410 0.889 658 HD13 LEU 77 HD13 LEU 77 9.641 2.540 0.119 659 HD21 LEU 77 HD21 LEU 77 13.168 1.184 -0.160 660 HD22 LEU 77 HD22 LEU 77 13.234 2.729 0.687 661 HD23 LEU 77 HD23 LEU 77 13.733 2.629 -1.002 662 H THR 78 H THR 78 10.104 1.382 -4.700 663 HA THR 78 HA THR 78 10.759 -1.383 -5.212 664 HB THR 78 HB THR 78 8.381 0.331 -5.773 665 HG1 THR 78 HG1 THR 78 8.033 -0.641 -3.940 666 HG21 THR 78 HG21 THR 78 8.656 -2.468 -6.813 667 HG22 THR 78 HG22 THR 78 8.769 -1.026 -7.822 668 HG23 THR 78 HG23 THR 78 7.270 -1.388 -6.967 669 HA PRO 79 HA PRO 79 11.155 -0.145 -9.769 670 HB2 PRO 79 HB2 PRO 79 10.415 2.301 -10.627 671 HB3 PRO 79 HB1 PRO 79 9.253 0.983 -10.424 672 HG2 PRO 79 HG2 PRO 79 9.857 3.274 -8.592 673 HG3 PRO 79 HG1 PRO 79 8.284 2.604 -9.064 674 HD2 PRO 79 HD2 PRO 79 9.498 1.993 -6.698 675 HD3 PRO 79 HD1 PRO 79 8.429 0.874 -7.559 676 H ARG 80 H ARG 80 12.300 1.701 -7.222 677 HA ARG 80 HA ARG 80 14.309 2.688 -6.822 678 HB2 ARG 80 HB2 ARG 80 14.793 1.112 -9.190 679 HB3 ARG 80 HB1 ARG 80 15.707 2.611 -9.266 680 HG2 ARG 80 HG2 ARG 80 16.960 2.099 -7.398 681 HG3 ARG 80 HG1 ARG 80 15.760 0.962 -6.777 682 HD2 ARG 80 HD2 ARG 80 16.290 -0.497 -8.764 683 HD3 ARG 80 HD1 ARG 80 17.648 0.578 -9.092 684 HE ARG 80 HE ARG 80 18.782 -0.365 -7.336 685 HH11 ARG 80 HH11 ARG 80 15.422 -1.292 -7.155 686 HH12 ARG 80 HH12 ARG 80 15.680 -2.451 -5.893 687 HH21 ARG 80 HH21 ARG 80 19.123 -1.888 -5.676 688 HH22 ARG 80 HH22 ARG 80 17.781 -2.789 -5.053 689 H1 ASP 100 H ASP 100 -3.368 13.661 5.641 690 HA ASP 100 HA ASP 100 -3.804 11.856 7.832 691 HB2 ASP 100 HB2 ASP 100 -5.823 13.818 7.187 692 HB3 ASP 100 HB1 ASP 100 -6.438 12.194 6.892 693 H ASP 101 H ASP 101 -2.415 11.011 5.917 694 HA ASP 101 HA ASP 101 -4.097 9.880 3.807 695 HB2 ASP 101 HB2 ASP 101 -1.216 10.486 4.097 696 HB3 ASP 101 HB1 ASP 101 -1.625 9.062 3.144 697 H ASP 102 H ASP 102 -3.908 9.001 6.656 698 HA ASP 102 HA ASP 102 -3.105 6.205 6.212 699 HB2 ASP 102 HB2 ASP 102 -2.252 7.882 8.197 700 HB3 ASP 102 HB1 ASP 102 -3.590 7.056 8.991 701 H ARG 103 H ARG 103 -5.672 7.493 5.495 702 HA ARG 103 HA ARG 103 -7.546 6.221 7.342 703 HB2 ARG 103 HB2 ARG 103 -7.839 8.595 6.420 704 HB3 ARG 103 HB1 ARG 103 -8.263 7.827 4.896 705 HG2 ARG 103 HG2 ARG 103 -10.219 6.913 5.756 706 HG3 ARG 103 HG1 ARG 103 -9.681 7.092 7.427 707 HD2 ARG 103 HD2 ARG 103 -9.661 9.678 6.459 708 HD3 ARG 103 HD1 ARG 103 -11.088 8.967 5.703 709 HE ARG 103 HE ARG 103 -11.294 8.236 8.314 710 HH11 ARG 103 HH11 ARG 103 -10.901 11.290 6.671 711 HH12 ARG 103 HH12 ARG 103 -11.750 12.194 7.881 712 HH21 ARG 103 HH21 ARG 103 -12.412 9.422 9.905 713 HH22 ARG 103 HH22 ARG 103 -12.608 11.132 9.717 714 H TYR 104 H TYR 104 -6.373 6.018 4.041 715 HA TYR 104 HA TYR 104 -8.268 4.195 3.044 716 HB2 TYR 104 HB2 TYR 104 -5.386 4.673 2.263 717 HB3 TYR 104 HB1 TYR 104 -6.491 3.647 1.355 718 HD1 TYR 104 HD1 TYR 104 -5.864 7.125 2.454 719 HD2 TYR 104 HD2 TYR 104 -8.064 4.581 -0.154 720 HE1 TYR 104 HE1 TYR 104 -6.652 9.093 1.207 721 HE2 TYR 104 HE2 TYR 104 -8.857 6.542 -1.407 722 HH TYR 104 HH TYR 104 -7.576 9.301 -1.512 723 H LEU 105 H LEU 105 -5.097 3.685 4.555 724 HA LEU 105 HA LEU 105 -5.010 0.900 4.332 725 HB2 LEU 105 HB2 LEU 105 -3.666 2.953 5.970 726 HB3 LEU 105 HB1 LEU 105 -3.672 1.339 6.655 727 HG LEU 105 HG LEU 105 -1.632 1.702 5.402 728 HD11 LEU 105 HD11 LEU 105 -3.222 -0.480 5.208 729 HD12 LEU 105 HD12 LEU 105 -1.596 -0.368 4.535 730 HD13 LEU 105 HD13 LEU 105 -2.998 -0.077 3.506 731 HD21 LEU 105 HD21 LEU 105 -1.816 1.955 2.893 732 HD22 LEU 105 HD22 LEU 105 -2.222 3.380 3.849 733 HD23 LEU 105 HD23 LEU 105 -3.506 2.390 3.153 734 H ARG 106 H ARG 106 -6.121 2.902 7.063 735 HA ARG 106 HA ARG 106 -6.946 0.787 8.705 736 HB2 ARG 106 HB2 ARG 106 -7.778 3.677 8.534 737 HB3 ARG 106 HB1 ARG 106 -8.476 2.582 9.719 738 HG2 ARG 106 HG2 ARG 106 -5.568 2.491 9.678 739 HG3 ARG 106 HG1 ARG 106 -6.206 4.095 10.044 740 HD2 ARG 106 HD2 ARG 106 -7.460 1.800 11.432 741 HD3 ARG 106 HD1 ARG 106 -5.817 2.221 11.911 742 HE ARG 106 HE ARG 106 -8.170 3.611 12.604 743 HH11 ARG 106 HH11 ARG 106 -4.869 4.190 11.628 744 HH12 ARG 106 HH12 ARG 106 -4.765 5.717 12.438 745 HH21 ARG 106 HH21 ARG 106 -8.035 5.619 13.671 746 HH22 ARG 106 HH22 ARG 106 -6.563 6.527 13.599 747 H GLU 107 H GLU 107 -8.528 2.426 6.050 748 HA GLU 107 HA GLU 107 -11.163 1.596 6.496 749 HB2 GLU 107 HB2 GLU 107 -9.608 2.648 4.233 750 HB3 GLU 107 HB1 GLU 107 -10.982 1.657 3.765 751 HG2 GLU 107 HG2 GLU 107 -11.612 3.601 5.843 752 HG3 GLU 107 HG1 GLU 107 -11.053 4.329 4.338 753 H ALA 108 H ALA 108 -8.743 0.143 4.308 754 HA ALA 108 HA ALA 108 -10.321 -2.188 3.841 755 HB1 ALA 108 HB1 ALA 108 -8.782 -1.488 2.149 756 HB2 ALA 108 HB2 ALA 108 -8.246 -3.056 2.757 757 HB3 ALA 108 HB3 ALA 108 -7.425 -1.582 3.272 758 H ILE 109 H ILE 109 -7.543 -1.455 5.900 759 HA ILE 109 HA ILE 109 -7.005 -4.022 6.842 760 HB ILE 109 HB ILE 109 -6.618 -1.312 8.099 761 HG12 ILE 109 HG12 ILE 109 -4.669 -3.329 6.966 762 HG13 ILE 109 HG11 ILE 109 -5.256 -1.902 6.119 763 HG21 ILE 109 HG21 ILE 109 -5.140 -2.433 9.752 764 HG22 ILE 109 HG22 ILE 109 -5.773 -3.986 9.201 765 HG23 ILE 109 HG23 ILE 109 -6.852 -2.812 9.955 766 HD11 ILE 109 HD11 ILE 109 -3.773 -0.589 7.119 767 HD12 ILE 109 HD12 ILE 109 -2.978 -2.072 7.645 768 HD13 ILE 109 HD13 ILE 109 -4.126 -1.263 8.710 769 H GLN 110 H GLN 110 -9.001 -1.490 8.387 770 HA GLN 110 HA GLN 110 -9.938 -3.153 10.463 771 HB2 GLN 110 HB2 GLN 110 -10.022 -0.528 10.127 772 HB3 GLN 110 HB1 GLN 110 -11.609 -0.888 9.463 773 HG2 GLN 110 HG2 GLN 110 -11.742 -2.300 11.738 774 HG3 GLN 110 HG1 GLN 110 -10.635 -1.022 12.240 775 HE21 GLN 110 HE21 GLN 110 -13.847 -1.887 11.741 776 HE22 GLN 110 HE22 GLN 110 -14.563 -0.326 11.928 777 H GLU 111 H GLU 111 -11.102 -2.522 7.214 778 HA GLU 111 HA GLU 111 -13.663 -3.601 7.412 779 HB2 GLU 111 HB2 GLU 111 -12.794 -2.417 5.412 780 HB3 GLU 111 HB1 GLU 111 -11.771 -3.804 5.057 781 HG2 GLU 111 HG2 GLU 111 -13.428 -4.583 3.815 782 HG3 GLU 111 HG1 GLU 111 -14.315 -4.876 5.309 783 H TYR 112 H TYR 112 -10.549 -5.156 6.894 784 HA TYR 112 HA TYR 112 -11.632 -7.785 6.612 785 HB2 TYR 112 HB2 TYR 112 -9.264 -6.804 5.929 786 HB3 TYR 112 HB1 TYR 112 -8.826 -7.332 7.550 787 HD1 TYR 112 HD1 TYR 112 -11.049 -8.881 4.980 788 HD2 TYR 112 HD2 TYR 112 -7.518 -9.231 7.328 789 HE1 TYR 112 HE1 TYR 112 -10.722 -11.170 4.140 790 HE2 TYR 112 HE2 TYR 112 -7.181 -11.520 6.494 791 HH TYR 112 HH TYR 112 -8.428 -13.323 5.510 792 H ASP 113 H ASP 113 -10.491 -5.789 9.260 793 HA ASP 113 HA ASP 113 -10.299 -7.773 11.239 794 HB2 ASP 113 HB2 ASP 113 -9.939 -5.036 11.151 795 HB3 ASP 113 HB1 ASP 113 -11.352 -5.205 12.188 796 H ASN 114 H ASN 114 -13.012 -6.092 9.829 797 HA ASN 114 HA ASN 114 -14.902 -7.040 11.796 798 HB2 ASN 114 HB2 ASN 114 -15.063 -5.397 9.300 799 HB3 ASN 114 HB1 ASN 114 -16.531 -6.137 9.929 800 HD21 ASN 114 HD21 ASN 114 -15.942 -3.346 9.709 801 HD22 ASN 114 HD22 ASN 114 -15.987 -2.690 11.305 802 H ILE 115 H ILE 115 -13.818 -7.925 8.573 803 HA ILE 115 HA ILE 115 -15.878 -9.816 8.057 804 HB ILE 115 HB ILE 115 -13.102 -9.646 6.874 805 HG12 ILE 115 HG12 ILE 115 -15.579 -8.760 5.457 806 HG13 ILE 115 HG11 ILE 115 -14.890 -7.699 6.681 807 HG21 ILE 115 HG21 ILE 115 -14.583 -10.774 4.948 808 HG22 ILE 115 HG22 ILE 115 -15.412 -11.414 6.367 809 HG23 ILE 115 HG23 ILE 115 -13.687 -11.706 6.147 810 HD11 ILE 115 HD11 ILE 115 -13.019 -8.774 4.669 811 HD12 ILE 115 HD12 ILE 115 -13.103 -7.176 5.409 812 HD13 ILE 115 HD13 ILE 115 -14.211 -7.602 4.106 813 H ALA 116 H ALA 116 -12.735 -9.977 9.605 814 HA ALA 116 HA ALA 116 -12.848 -12.870 9.839 815 HB1 ALA 116 HB1 ALA 116 -10.802 -11.355 11.335 816 HB2 ALA 116 HB2 ALA 116 -10.758 -11.209 9.578 817 HB3 ALA 116 HB3 ALA 116 -10.642 -12.799 10.335 818 H LYS 117 H LYS 117 -15.044 -12.058 11.038 819 HA LYS 117 HA LYS 117 -14.688 -11.440 13.817 820 HB2 LYS 117 HB2 LYS 117 -17.042 -12.138 12.091 821 HB3 LYS 117 HB1 LYS 117 -17.208 -12.100 13.841 822 HG2 LYS 117 HG2 LYS 117 -15.925 -9.738 12.651 823 HG3 LYS 117 HG1 LYS 117 -17.621 -9.981 12.228 824 HD2 LYS 117 HD2 LYS 117 -17.823 -10.409 14.837 825 HD3 LYS 117 HD1 LYS 117 -16.379 -9.395 14.864 826 HE2 LYS 117 HE2 LYS 117 -18.175 -7.901 15.106 827 HE3 LYS 117 HE1 LYS 117 -17.692 -7.764 13.416 828 HZ1 LYS 117 HZ1 LYS 117 -20.021 -7.900 13.419 829 HZ2 LYS 117 HZ2 LYS 117 -20.045 -9.176 14.528 830 HZ3 LYS 117 HZ3 LYS 117 -19.499 -9.440 12.950 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -16.744 7.308 -1.169 2 H2 MET 1 HT2 MET 1 -18.373 7.848 -1.108 3 H3 MET 1 HT3 MET 1 -18.018 6.169 -1.038 4 HA MET 1 HA MET 1 -17.326 8.209 0.968 5 HB2 MET 1 HB2 MET 1 -19.748 7.247 0.581 6 HB3 MET 1 HB1 MET 1 -19.094 5.833 1.397 7 HG2 MET 1 HG2 MET 1 -19.074 6.834 3.400 8 HG3 MET 1 HG1 MET 1 -18.559 8.385 2.736 9 HE1 MET 1 HE1 MET 1 -20.411 10.426 3.400 10 HE2 MET 1 HE2 MET 1 -19.891 9.272 4.628 11 HE3 MET 1 HE3 MET 1 -21.596 9.706 4.489 12 H ASP 2 H ASP 2 -16.880 6.906 3.099 13 HA ASP 2 HA ASP 2 -14.570 5.270 2.548 14 HB2 ASP 2 HB2 ASP 2 -15.740 6.597 4.936 15 HB3 ASP 2 HB1 ASP 2 -14.732 5.182 5.224 16 H ARG 3 H ARG 3 -15.506 3.413 1.609 17 HA ARG 3 HA ARG 3 -15.983 1.287 3.354 18 HB2 ARG 3 HB2 ARG 3 -18.419 0.866 2.640 19 HB3 ARG 3 HB1 ARG 3 -18.122 2.057 3.899 20 HG2 ARG 3 HG2 ARG 3 -18.742 3.810 2.583 21 HG3 ARG 3 HG1 ARG 3 -18.251 3.010 1.091 22 HD2 ARG 3 HD2 ARG 3 -20.330 2.313 0.736 23 HD3 ARG 3 HD1 ARG 3 -20.371 1.524 2.313 24 HE ARG 3 HE ARG 3 -20.802 4.367 2.418 25 HH11 ARG 3 HH11 ARG 3 -22.318 1.251 2.001 26 HH12 ARG 3 HH12 ARG 3 -23.878 1.802 2.513 27 HH21 ARG 3 HH21 ARG 3 -22.853 5.093 3.089 28 HH22 ARG 3 HH22 ARG 3 -24.183 3.984 3.128 29 H LYS 4 H LYS 4 -16.581 2.636 0.155 30 HA LYS 4 HA LYS 4 -16.675 0.105 -1.169 31 HB2 LYS 4 HB2 LYS 4 -17.518 2.520 -1.904 32 HB3 LYS 4 HB1 LYS 4 -15.924 2.585 -2.643 33 HG2 LYS 4 HG2 LYS 4 -16.391 0.673 -3.990 34 HG3 LYS 4 HG1 LYS 4 -17.900 0.370 -3.130 35 HD2 LYS 4 HD2 LYS 4 -18.105 3.000 -4.028 36 HD3 LYS 4 HD1 LYS 4 -17.368 2.124 -5.370 37 HE2 LYS 4 HE2 LYS 4 -19.933 1.411 -3.952 38 HE3 LYS 4 HE1 LYS 4 -19.787 2.100 -5.568 39 HZ1 LYS 4 HZ1 LYS 4 -18.607 0.097 -6.260 40 HZ2 LYS 4 HZ2 LYS 4 -20.148 -0.276 -5.674 41 HZ3 LYS 4 HZ3 LYS 4 -18.786 -0.563 -4.714 42 H VAL 5 H VAL 5 -14.158 2.394 -0.354 43 HA VAL 5 HA VAL 5 -12.126 1.610 -2.061 44 HB VAL 5 HB VAL 5 -11.766 2.294 0.861 45 HG11 VAL 5 HG11 VAL 5 -9.800 3.159 -1.146 46 HG12 VAL 5 HG12 VAL 5 -9.881 1.419 -0.869 47 HG13 VAL 5 HG13 VAL 5 -9.561 2.512 0.477 48 HG21 VAL 5 HG21 VAL 5 -13.008 3.860 -1.047 49 HG22 VAL 5 HG22 VAL 5 -11.345 4.446 -1.046 50 HG23 VAL 5 HG23 VAL 5 -12.274 4.428 0.452 51 H ALA 6 H ALA 6 -13.386 0.055 0.807 52 HA ALA 6 HA ALA 6 -11.321 -1.903 1.026 53 HB1 ALA 6 HB1 ALA 6 -12.763 -1.214 2.922 54 HB2 ALA 6 HB2 ALA 6 -12.732 -2.961 2.669 55 HB3 ALA 6 HB3 ALA 6 -14.123 -2.016 2.134 56 H ARG 7 H ARG 7 -14.491 -1.758 -0.506 57 HA ARG 7 HA ARG 7 -14.609 -4.495 -1.247 58 HB2 ARG 7 HB2 ARG 7 -16.077 -2.013 -2.000 59 HB3 ARG 7 HB1 ARG 7 -16.212 -3.402 -3.070 60 HG2 ARG 7 HG2 ARG 7 -16.650 -4.536 -0.631 61 HG3 ARG 7 HG1 ARG 7 -17.373 -2.939 -0.429 62 HD2 ARG 7 HD2 ARG 7 -18.042 -4.157 -2.985 63 HD3 ARG 7 HD1 ARG 7 -18.556 -5.138 -1.613 64 HE ARG 7 HE ARG 7 -19.254 -2.359 -1.379 65 HH11 ARG 7 HH11 ARG 7 -20.239 -5.463 -2.633 66 HH12 ARG 7 HH12 ARG 7 -21.921 -5.058 -2.663 67 HH21 ARG 7 HH21 ARG 7 -21.469 -1.825 -1.417 68 HH22 ARG 7 HH22 ARG 7 -22.621 -2.993 -1.973 69 H GLU 8 H GLU 8 -13.304 -1.620 -2.780 70 HA GLU 8 HA GLU 8 -12.788 -2.870 -5.294 71 HB2 GLU 8 HB2 GLU 8 -11.701 -0.339 -4.049 72 HB3 GLU 8 HB1 GLU 8 -11.353 -0.851 -5.695 73 HG2 GLU 8 HG2 GLU 8 -14.200 -0.672 -4.912 74 HG3 GLU 8 HG1 GLU 8 -13.310 0.839 -5.092 75 H PHE 9 H PHE 9 -10.791 -2.069 -2.467 76 HA PHE 9 HA PHE 9 -8.374 -3.086 -3.499 77 HB2 PHE 9 HB2 PHE 9 -8.532 -1.578 -1.527 78 HB3 PHE 9 HB1 PHE 9 -9.226 -2.904 -0.600 79 HD1 PHE 9 HD1 PHE 9 -7.836 -4.957 -0.196 80 HD2 PHE 9 HD2 PHE 9 -6.212 -1.358 -1.781 81 HE1 PHE 9 HE1 PHE 9 -5.577 -5.707 0.426 82 HE2 PHE 9 HE2 PHE 9 -3.949 -2.101 -1.162 83 HZ PHE 9 HZ PHE 9 -3.630 -4.278 -0.057 84 H ARG 10 H ARG 10 -10.987 -4.547 -1.640 85 HA ARG 10 HA ARG 10 -9.688 -7.073 -1.321 86 HB2 ARG 10 HB2 ARG 10 -11.637 -6.016 0.055 87 HB3 ARG 10 HB1 ARG 10 -12.664 -6.712 -1.192 88 HG2 ARG 10 HG2 ARG 10 -10.670 -8.523 0.009 89 HG3 ARG 10 HG1 ARG 10 -11.988 -7.995 1.058 90 HD2 ARG 10 HD2 ARG 10 -12.927 -8.761 -1.579 91 HD3 ARG 10 HD1 ARG 10 -12.060 -10.070 -0.780 92 HE ARG 10 HE ARG 10 -13.915 -8.880 0.996 93 HH11 ARG 10 HH11 ARG 10 -13.741 -11.004 -1.767 94 HH12 ARG 10 HH12 ARG 10 -15.197 -11.852 -1.365 95 HH21 ARG 10 HH21 ARG 10 -15.829 -9.993 1.527 96 HH22 ARG 10 HH22 ARG 10 -16.384 -11.277 0.506 97 H HIS 11 H HIS 11 -12.236 -5.833 -3.471 98 HA HIS 11 HA HIS 11 -12.668 -8.240 -4.867 99 HB2 HIS 11 HB2 HIS 11 -14.227 -6.326 -4.940 100 HB3 HIS 11 HB1 HIS 11 -13.038 -5.400 -5.850 101 HD1 HIS 11 HD1 HIS 11 -15.207 -5.355 -7.545 102 HD2 HIS 11 HD2 HIS 11 -13.107 -8.924 -7.204 103 HE1 HIS 11 HE1 HIS 11 -15.836 -6.702 -9.573 104 HE2 HIS 11 HE2 HIS 11 -14.489 -8.822 -9.387 105 H LYS 12 H LYS 12 -10.433 -5.563 -5.392 106 HA LYS 12 HA LYS 12 -9.461 -6.365 -7.904 107 HB2 LYS 12 HB2 LYS 12 -8.434 -4.630 -5.697 108 HB3 LYS 12 HB1 LYS 12 -7.328 -5.100 -6.982 109 HG2 LYS 12 HG2 LYS 12 -9.989 -3.909 -7.639 110 HG3 LYS 12 HG1 LYS 12 -8.629 -2.882 -7.181 111 HD2 LYS 12 HD2 LYS 12 -7.305 -4.109 -8.977 112 HD3 LYS 12 HD1 LYS 12 -8.859 -4.739 -9.534 113 HE2 LYS 12 HE2 LYS 12 -9.544 -2.205 -9.466 114 HE3 LYS 12 HE1 LYS 12 -7.805 -1.950 -9.588 115 HZ1 LYS 12 HZ1 LYS 12 -7.754 -2.691 -11.699 116 HZ2 LYS 12 HZ2 LYS 12 -9.387 -2.247 -11.695 117 HZ3 LYS 12 HZ3 LYS 12 -8.950 -3.863 -11.452 118 H VAL 13 H VAL 13 -8.163 -6.941 -4.637 119 HA VAL 13 HA VAL 13 -5.972 -8.492 -5.314 120 HB VAL 13 HB VAL 13 -7.754 -8.827 -2.893 121 HG11 VAL 13 HG11 VAL 13 -4.868 -9.616 -3.276 122 HG12 VAL 13 HG12 VAL 13 -6.236 -10.729 -3.262 123 HG13 VAL 13 HG13 VAL 13 -5.826 -9.818 -1.809 124 HG21 VAL 13 HG21 VAL 13 -6.446 -6.566 -3.598 125 HG22 VAL 13 HG22 VAL 13 -5.200 -7.389 -2.659 126 HG23 VAL 13 HG23 VAL 13 -6.770 -7.045 -1.932 127 H ASP 14 H ASP 14 -9.350 -9.412 -4.946 128 HA ASP 14 HA ASP 14 -8.888 -12.213 -5.257 129 HB2 ASP 14 HB2 ASP 14 -11.466 -10.695 -5.692 130 HB3 ASP 14 HB1 ASP 14 -11.295 -12.418 -5.373 131 H PHE 15 H PHE 15 -9.392 -9.541 -7.435 132 HA PHE 15 HA PHE 15 -10.173 -11.065 -9.703 133 HB2 PHE 15 HB2 PHE 15 -10.114 -8.401 -9.124 134 HB3 PHE 15 HB1 PHE 15 -8.727 -8.542 -10.199 135 HD1 PHE 15 HD1 PHE 15 -12.271 -9.696 -10.005 136 HD2 PHE 15 HD2 PHE 15 -9.096 -8.248 -12.441 137 HE1 PHE 15 HE1 PHE 15 -13.781 -9.664 -11.948 138 HE2 PHE 15 HE2 PHE 15 -10.601 -8.212 -14.387 139 HZ PHE 15 HZ PHE 15 -12.946 -8.920 -14.142 140 H LEU 16 H LEU 16 -7.119 -10.168 -8.296 141 HA LEU 16 HA LEU 16 -5.637 -11.154 -10.597 142 HB2 LEU 16 HB2 LEU 16 -4.262 -10.317 -8.103 143 HB3 LEU 16 HB1 LEU 16 -3.797 -10.065 -9.773 144 HG LEU 16 HG LEU 16 -6.182 -8.603 -8.721 145 HD11 LEU 16 HD11 LEU 16 -5.039 -7.128 -7.458 146 HD12 LEU 16 HD12 LEU 16 -3.580 -7.245 -8.443 147 HD13 LEU 16 HD13 LEU 16 -3.936 -8.489 -7.244 148 HD21 LEU 16 HD21 LEU 16 -3.999 -7.662 -10.561 149 HD22 LEU 16 HD22 LEU 16 -5.638 -7.033 -10.382 150 HD23 LEU 16 HD23 LEU 16 -5.374 -8.605 -11.135 151 H ILE 17 H ILE 17 -5.942 -11.846 -7.138 152 HA ILE 17 HA ILE 17 -4.458 -14.326 -7.437 153 HB ILE 17 HB ILE 17 -5.705 -13.073 -4.992 154 HG12 ILE 17 HG12 ILE 17 -3.040 -13.035 -4.570 155 HG13 ILE 17 HG11 ILE 17 -3.078 -12.846 -6.321 156 HG21 ILE 17 HG21 ILE 17 -3.604 -14.984 -4.490 157 HG22 ILE 17 HG22 ILE 17 -4.936 -15.725 -5.371 158 HG23 ILE 17 HG23 ILE 17 -5.239 -14.914 -3.834 159 HD11 ILE 17 HD11 ILE 17 -4.097 -10.797 -6.208 160 HD12 ILE 17 HD12 ILE 17 -3.090 -10.764 -4.761 161 HD13 ILE 17 HD13 ILE 17 -4.811 -11.120 -4.630 162 H GLU 18 H GLU 18 -7.595 -13.387 -6.096 163 HA GLU 18 HA GLU 18 -9.597 -14.434 -6.093 164 HB2 GLU 18 HB2 GLU 18 -10.147 -15.371 -8.044 165 HB3 GLU 18 HB1 GLU 18 -8.463 -15.193 -8.507 166 HG2 GLU 18 HG2 GLU 18 -8.026 -17.442 -7.565 167 HG3 GLU 18 HG1 GLU 18 -9.758 -17.616 -7.285 168 H ASN 19 H ASN 19 -6.856 -15.515 -5.015 169 HA ASN 19 HA ASN 19 -7.804 -18.047 -3.905 170 HB2 ASN 19 HB2 ASN 19 -5.419 -17.587 -4.906 171 HB3 ASN 19 HB1 ASN 19 -5.096 -16.911 -3.313 172 HD21 ASN 19 HD21 ASN 19 -6.372 -19.798 -4.907 173 HD22 ASN 19 HD22 ASN 19 -5.767 -20.921 -3.740 174 H ASP 20 H ASP 20 -7.194 -18.423 -1.533 175 HA ASP 20 HA ASP 20 -8.111 -16.096 -0.010 176 HB2 ASP 20 HB2 ASP 20 -8.247 -19.055 0.543 177 HB3 ASP 20 HB1 ASP 20 -8.594 -17.849 1.777 178 H ALA 21 H ALA 21 -5.748 -18.743 0.137 179 HA ALA 21 HA ALA 21 -4.441 -17.956 2.471 180 HB1 ALA 21 HB1 ALA 21 -2.437 -19.163 1.328 181 HB2 ALA 21 HB2 ALA 21 -3.632 -19.578 0.099 182 HB3 ALA 21 HB3 ALA 21 -3.877 -20.080 1.772 183 H GLU 22 H GLU 22 -3.981 -16.918 -0.861 184 HA GLU 22 HA GLU 22 -1.608 -15.436 -0.381 185 HB2 GLU 22 HB2 GLU 22 -3.599 -15.601 -2.597 186 HB3 GLU 22 HB1 GLU 22 -2.489 -14.240 -2.573 187 HG2 GLU 22 HG2 GLU 22 -1.299 -15.700 -3.845 188 HG3 GLU 22 HG1 GLU 22 -0.695 -16.131 -2.247 189 H LYS 23 H LYS 23 -5.035 -14.480 -0.609 190 HA LYS 23 HA LYS 23 -4.539 -11.727 -0.117 191 HB2 LYS 23 HB2 LYS 23 -6.963 -11.588 0.358 192 HB3 LYS 23 HB1 LYS 23 -6.625 -12.432 -1.147 193 HG2 LYS 23 HG2 LYS 23 -7.208 -14.494 -0.268 194 HG3 LYS 23 HG1 LYS 23 -7.029 -13.946 1.398 195 HD2 LYS 23 HD2 LYS 23 -9.301 -13.898 1.261 196 HD3 LYS 23 HD1 LYS 23 -8.962 -12.281 0.640 197 HE2 LYS 23 HE2 LYS 23 -9.067 -13.156 -1.652 198 HE3 LYS 23 HE1 LYS 23 -9.438 -14.758 -1.016 199 HZ1 LYS 23 HZ1 LYS 23 -11.434 -13.590 -1.723 200 HZ2 LYS 23 HZ2 LYS 23 -11.109 -12.331 -0.641 201 HZ3 LYS 23 HZ3 LYS 23 -11.467 -13.877 -0.055 202 H ASP 24 H ASP 24 -4.919 -14.523 1.909 203 HA ASP 24 HA ASP 24 -5.462 -13.213 4.345 204 HB2 ASP 24 HB2 ASP 24 -5.196 -15.837 3.556 205 HB3 ASP 24 HB1 ASP 24 -3.765 -15.602 4.554 206 H TYR 25 H TYR 25 -2.406 -14.277 2.858 207 HA TYR 25 HA TYR 25 -0.758 -13.180 4.894 208 HB2 TYR 25 HB2 TYR 25 0.075 -14.947 3.427 209 HB3 TYR 25 HB1 TYR 25 -0.114 -13.903 2.023 210 HD1 TYR 25 HD1 TYR 25 1.670 -14.055 5.297 211 HD2 TYR 25 HD2 TYR 25 1.710 -12.678 1.270 212 HE1 TYR 25 HE1 TYR 25 3.970 -13.241 5.604 213 HE2 TYR 25 HE2 TYR 25 4.010 -11.863 1.568 214 HH TYR 25 HH TYR 25 5.407 -11.243 4.297 215 H LEU 26 H LEU 26 -1.732 -11.989 1.681 216 HA LEU 26 HA LEU 26 -0.281 -9.592 1.775 217 HB2 LEU 26 HB2 LEU 26 -1.323 -10.301 -0.288 218 HB3 LEU 26 HB1 LEU 26 -2.915 -10.247 0.443 219 HG LEU 26 HG LEU 26 -2.490 -7.729 0.748 220 HD11 LEU 26 HD11 LEU 26 -0.144 -8.557 -0.849 221 HD12 LEU 26 HD12 LEU 26 -0.326 -7.238 0.307 222 HD13 LEU 26 HD13 LEU 26 -0.955 -7.067 -1.332 223 HD21 LEU 26 HD21 LEU 26 -2.628 -8.339 -2.145 224 HD22 LEU 26 HD22 LEU 26 -3.688 -7.351 -1.140 225 HD23 LEU 26 HD23 LEU 26 -3.827 -9.107 -1.104 226 H TYR 27 H TYR 27 -3.418 -10.519 3.044 227 HA TYR 27 HA TYR 27 -4.207 -7.974 3.980 228 HB2 TYR 27 HB2 TYR 27 -5.008 -10.779 4.480 229 HB3 TYR 27 HB1 TYR 27 -5.332 -9.660 5.798 230 HD1 TYR 27 HD1 TYR 27 -6.241 -7.252 4.692 231 HD2 TYR 27 HD2 TYR 27 -6.880 -11.186 3.202 232 HE1 TYR 27 HE1 TYR 27 -8.275 -6.480 3.545 233 HE2 TYR 27 HE2 TYR 27 -8.915 -10.425 2.050 234 HH TYR 27 HH TYR 27 -10.326 -7.356 2.645 235 H ASP 28 H ASP 28 -2.096 -10.491 5.218 236 HA ASP 28 HA ASP 28 -1.774 -9.350 7.819 237 HB2 ASP 28 HB2 ASP 28 -1.178 -11.773 6.742 238 HB3 ASP 28 HB1 ASP 28 0.413 -11.017 6.729 239 H VAL 29 H VAL 29 -0.130 -9.056 4.709 240 HA VAL 29 HA VAL 29 2.152 -7.676 5.627 241 HB VAL 29 HB VAL 29 0.828 -7.353 2.930 242 HG11 VAL 29 HG11 VAL 29 3.764 -7.199 3.488 243 HG12 VAL 29 HG12 VAL 29 2.729 -5.795 3.746 244 HG13 VAL 29 HG13 VAL 29 2.845 -6.522 2.144 245 HG21 VAL 29 HG21 VAL 29 3.094 -9.211 3.223 246 HG22 VAL 29 HG22 VAL 29 1.637 -9.340 2.236 247 HG23 VAL 29 HG23 VAL 29 1.579 -9.740 3.953 248 H LEU 30 H LEU 30 -0.983 -6.522 4.424 249 HA LEU 30 HA LEU 30 -0.404 -3.770 4.618 250 HB2 LEU 30 HB2 LEU 30 -3.058 -5.197 4.816 251 HB3 LEU 30 HB1 LEU 30 -2.862 -3.468 4.602 252 HG LEU 30 HG LEU 30 -1.549 -5.210 2.593 253 HD11 LEU 30 HD11 LEU 30 -4.395 -4.653 2.069 254 HD12 LEU 30 HD12 LEU 30 -4.055 -5.939 3.228 255 HD13 LEU 30 HD13 LEU 30 -3.397 -6.028 1.595 256 HD21 LEU 30 HD21 LEU 30 -3.288 -2.938 1.875 257 HD22 LEU 30 HD22 LEU 30 -1.681 -3.372 1.289 258 HD23 LEU 30 HD23 LEU 30 -1.863 -2.552 2.840 259 H ARG 31 H ARG 31 -1.773 -6.097 6.881 260 HA ARG 31 HA ARG 31 -2.527 -4.382 8.935 261 HB2 ARG 31 HB2 ARG 31 -3.017 -6.815 8.863 262 HB3 ARG 31 HB1 ARG 31 -1.328 -7.143 9.227 263 HG2 ARG 31 HG2 ARG 31 -2.069 -5.422 11.237 264 HG3 ARG 31 HG1 ARG 31 -3.515 -6.404 10.995 265 HD2 ARG 31 HD2 ARG 31 -0.905 -7.809 11.104 266 HD3 ARG 31 HD1 ARG 31 -1.532 -7.145 12.612 267 HE ARG 31 HE ARG 31 -3.647 -8.496 11.608 268 HH11 ARG 31 HH11 ARG 31 -0.324 -9.377 12.207 269 HH12 ARG 31 HH12 ARG 31 -0.691 -11.041 12.513 270 HH21 ARG 31 HH21 ARG 31 -4.132 -10.683 12.011 271 HH22 ARG 31 HH22 ARG 31 -2.853 -11.784 12.402 272 H MET 32 H MET 32 0.625 -5.774 8.162 273 HA MET 32 HA MET 32 1.972 -4.823 10.463 274 HB2 MET 32 HB2 MET 32 2.727 -5.996 7.859 275 HB3 MET 32 HB1 MET 32 3.950 -4.977 8.605 276 HG2 MET 32 HG2 MET 32 3.291 -6.463 10.720 277 HG3 MET 32 HG1 MET 32 2.902 -7.607 9.438 278 HE1 MET 32 HE1 MET 32 6.648 -5.789 10.886 279 HE2 MET 32 HE2 MET 32 6.290 -7.330 11.666 280 HE3 MET 32 HE3 MET 32 5.077 -6.050 11.642 281 H TYR 33 H TYR 33 1.721 -3.549 7.151 282 HA TYR 33 HA TYR 33 3.283 -1.272 7.474 283 HB2 TYR 33 HB2 TYR 33 2.514 -2.030 5.290 284 HB3 TYR 33 HB1 TYR 33 0.846 -1.673 5.728 285 HD1 TYR 33 HD1 TYR 33 4.150 0.085 5.608 286 HD2 TYR 33 HD2 TYR 33 -0.042 0.287 4.909 287 HE1 TYR 33 HE1 TYR 33 4.413 2.362 4.720 288 HE2 TYR 33 HE2 TYR 33 0.211 2.565 4.018 289 HH TYR 33 HH TYR 33 2.676 3.833 2.879 290 H HIS 34 H HIS 34 0.089 -1.962 8.629 291 HA HIS 34 HA HIS 34 -0.698 0.756 9.037 292 HB2 HIS 34 HB2 HIS 34 -2.281 -1.181 8.829 293 HB3 HIS 34 HB1 HIS 34 -1.764 -1.706 10.428 294 HD1 HIS 34 HD1 HIS 34 -2.829 -0.580 12.416 295 HD2 HIS 34 HD2 HIS 34 -3.739 1.297 8.823 296 HE1 HIS 34 HE1 HIS 34 -4.606 1.107 12.973 297 HE2 HIS 34 HE2 HIS 34 -5.202 2.174 10.768 298 H GLN 35 H GLN 35 0.552 -1.796 11.173 299 HA GLN 35 HA GLN 35 0.638 -0.061 13.451 300 HB2 GLN 35 HB2 GLN 35 0.706 -2.821 13.022 301 HB3 GLN 35 HB1 GLN 35 2.266 -2.427 13.731 302 HG2 GLN 35 HG2 GLN 35 1.019 -1.208 15.539 303 HG3 GLN 35 HG1 GLN 35 -0.460 -1.903 14.878 304 HE21 GLN 35 HE21 GLN 35 -1.083 -3.386 16.291 305 HE22 GLN 35 HE22 GLN 35 -0.095 -4.653 16.924 306 H THR 36 H THR 36 3.243 -1.802 11.768 307 HA THR 36 HA THR 36 5.251 -0.159 12.980 308 HB THR 36 HB THR 36 5.867 -2.402 12.569 309 HG1 THR 36 HG1 THR 36 7.107 -0.931 10.494 310 HG21 THR 36 HG21 THR 36 6.053 -3.228 10.161 311 HG22 THR 36 HG22 THR 36 4.893 -1.956 9.778 312 HG23 THR 36 HG23 THR 36 4.462 -3.229 10.920 313 H MET 37 H MET 37 3.612 -0.160 9.881 314 HA MET 37 HA MET 37 3.629 1.334 8.160 315 HB2 MET 37 HB2 MET 37 5.057 3.080 10.171 316 HB3 MET 37 HB1 MET 37 4.453 3.636 8.617 317 HG2 MET 37 HG2 MET 37 2.436 2.273 10.219 318 HG3 MET 37 HG1 MET 37 3.095 3.713 10.993 319 HE1 MET 37 HE1 MET 37 0.584 2.302 9.411 320 HE2 MET 37 HE2 MET 37 0.361 2.912 7.771 321 HE3 MET 37 HE3 MET 37 -0.424 3.722 9.127 322 H ASP 38 H ASP 38 5.441 -0.606 7.918 323 HA ASP 38 HA ASP 38 7.943 0.700 7.096 324 HB2 ASP 38 HB2 ASP 38 8.792 -1.697 6.969 325 HB3 ASP 38 HB1 ASP 38 8.431 -1.083 8.579 326 H VAL 39 H VAL 39 7.875 1.319 5.053 327 HA VAL 39 HA VAL 39 6.224 0.065 3.082 328 HB VAL 39 HB VAL 39 7.824 1.566 1.552 329 HG11 VAL 39 HG11 VAL 39 5.274 1.710 2.396 330 HG12 VAL 39 HG12 VAL 39 6.035 2.926 1.371 331 HG13 VAL 39 HG13 VAL 39 5.922 3.185 3.112 332 HG21 VAL 39 HG21 VAL 39 9.226 2.098 3.607 333 HG22 VAL 39 HG22 VAL 39 7.875 3.105 4.129 334 HG23 VAL 39 HG23 VAL 39 8.709 3.462 2.616 335 H ALA 40 H ALA 40 9.520 -0.261 4.094 336 HA ALA 40 HA ALA 40 10.521 -1.503 1.745 337 HB1 ALA 40 HB1 ALA 40 11.699 -0.468 3.931 338 HB2 ALA 40 HB2 ALA 40 12.500 -1.595 2.835 339 HB3 ALA 40 HB3 ALA 40 11.772 -2.184 4.330 340 H VAL 41 H VAL 41 8.826 -2.600 4.584 341 HA VAL 41 HA VAL 41 9.352 -5.371 4.095 342 HB VAL 41 HB VAL 41 7.341 -4.075 5.937 343 HG11 VAL 41 HG11 VAL 41 7.150 -6.252 7.009 344 HG12 VAL 41 HG12 VAL 41 8.258 -6.948 5.828 345 HG13 VAL 41 HG13 VAL 41 6.679 -6.354 5.312 346 HG21 VAL 41 HG21 VAL 41 9.023 -4.924 7.671 347 HG22 VAL 41 HG22 VAL 41 9.469 -3.499 6.732 348 HG23 VAL 41 HG23 VAL 41 10.147 -5.073 6.319 349 H LEU 42 H LEU 42 6.615 -3.172 3.649 350 HA LEU 42 HA LEU 42 4.731 -4.992 2.715 351 HB2 LEU 42 HB2 LEU 42 5.013 -2.165 2.886 352 HB3 LEU 42 HB1 LEU 42 4.457 -2.549 1.268 353 HG LEU 42 HG LEU 42 3.107 -3.425 3.818 354 HD11 LEU 42 HD11 LEU 42 2.127 -1.395 1.832 355 HD12 LEU 42 HD12 LEU 42 3.056 -0.955 3.265 356 HD13 LEU 42 HD13 LEU 42 1.492 -1.752 3.438 357 HD21 LEU 42 HD21 LEU 42 1.642 -4.615 2.587 358 HD22 LEU 42 HD22 LEU 42 2.972 -4.677 1.431 359 HD23 LEU 42 HD23 LEU 42 1.693 -3.481 1.236 360 H VAL 43 H VAL 43 7.233 -3.206 0.952 361 HA VAL 43 HA VAL 43 6.498 -4.054 -1.634 362 HB VAL 43 HB VAL 43 9.280 -3.341 -0.700 363 HG11 VAL 43 HG11 VAL 43 9.909 -3.256 -2.858 364 HG12 VAL 43 HG12 VAL 43 8.356 -2.614 -3.395 365 HG13 VAL 43 HG13 VAL 43 8.543 -4.344 -3.103 366 HG21 VAL 43 HG21 VAL 43 7.105 -1.732 -0.423 367 HG22 VAL 43 HG22 VAL 43 7.668 -1.284 -2.032 368 HG23 VAL 43 HG23 VAL 43 8.756 -1.157 -0.652 369 H GLY 44 H GLY 44 8.962 -5.310 0.618 370 HA2 GLY 44 HA2 GLY 44 9.957 -7.371 -0.955 371 HA3 GLY 44 HA1 GLY 44 9.907 -7.397 0.802 372 H ASP 45 H ASP 45 7.333 -7.576 1.445 373 HA ASP 45 HA ASP 45 6.693 -10.265 0.960 374 HB2 ASP 45 HB2 ASP 45 4.828 -8.072 1.899 375 HB3 ASP 45 HB1 ASP 45 4.595 -9.805 2.112 376 H LEU 46 H LEU 46 5.440 -7.265 -0.452 377 HA LEU 46 HA LEU 46 3.375 -8.283 -1.981 378 HB2 LEU 46 HB2 LEU 46 5.162 -5.927 -2.174 379 HB3 LEU 46 HB1 LEU 46 4.298 -6.366 -3.634 380 HG LEU 46 HG LEU 46 3.094 -5.619 -0.972 381 HD11 LEU 46 HD11 LEU 46 2.545 -3.614 -1.888 382 HD12 LEU 46 HD12 LEU 46 2.433 -4.264 -3.524 383 HD13 LEU 46 HD13 LEU 46 4.012 -3.937 -2.811 384 HD21 LEU 46 HD21 LEU 46 2.030 -7.356 -2.931 385 HD22 LEU 46 HD22 LEU 46 1.163 -5.827 -3.063 386 HD23 LEU 46 HD23 LEU 46 1.221 -6.676 -1.520 387 H LYS 47 H LYS 47 6.834 -8.326 -2.584 388 HA LYS 47 HA LYS 47 6.662 -9.259 -5.271 389 HB2 LYS 47 HB2 LYS 47 8.919 -9.412 -3.266 390 HB3 LYS 47 HB1 LYS 47 9.068 -9.828 -4.967 391 HG2 LYS 47 HG2 LYS 47 8.351 -7.117 -3.875 392 HG3 LYS 47 HG1 LYS 47 9.923 -7.596 -4.518 393 HD2 LYS 47 HD2 LYS 47 8.459 -8.264 -6.616 394 HD3 LYS 47 HD1 LYS 47 7.366 -7.054 -5.940 395 HE2 LYS 47 HE2 LYS 47 8.757 -5.911 -7.476 396 HE3 LYS 47 HE1 LYS 47 9.339 -5.487 -5.866 397 HZ1 LYS 47 HZ1 LYS 47 10.554 -7.390 -7.784 398 HZ2 LYS 47 HZ2 LYS 47 11.020 -7.302 -6.161 399 HZ3 LYS 47 HZ3 LYS 47 11.226 -5.962 -7.173 400 H LEU 48 H LEU 48 7.356 -10.866 -2.170 401 HA LEU 48 HA LEU 48 7.673 -13.461 -3.065 402 HB2 LEU 48 HB2 LEU 48 6.289 -12.600 -0.522 403 HB3 LEU 48 HB1 LEU 48 6.988 -14.177 -0.830 404 HG LEU 48 HG LEU 48 8.609 -11.634 -0.795 405 HD11 LEU 48 HD11 LEU 48 8.934 -11.787 1.433 406 HD12 LEU 48 HD12 LEU 48 8.803 -13.545 1.443 407 HD13 LEU 48 HD13 LEU 48 7.346 -12.553 1.389 408 HD21 LEU 48 HD21 LEU 48 9.267 -14.005 -1.874 409 HD22 LEU 48 HD22 LEU 48 9.776 -14.279 -0.207 410 HD23 LEU 48 HD23 LEU 48 10.434 -12.919 -1.120 411 H VAL 49 H VAL 49 4.787 -11.555 -2.819 412 HA VAL 49 HA VAL 49 3.103 -13.894 -3.374 413 HB VAL 49 HB VAL 49 2.237 -11.063 -2.773 414 HG11 VAL 49 HG11 VAL 49 0.496 -12.160 -3.923 415 HG12 VAL 49 HG12 VAL 49 0.073 -12.265 -2.215 416 HG13 VAL 49 HG13 VAL 49 0.756 -13.666 -3.040 417 HG21 VAL 49 HG21 VAL 49 3.467 -12.100 -0.892 418 HG22 VAL 49 HG22 VAL 49 2.311 -13.432 -0.907 419 HG23 VAL 49 HG23 VAL 49 1.768 -11.798 -0.522 420 H ILE 50 H ILE 50 4.369 -10.974 -4.760 421 HA ILE 50 HA ILE 50 2.736 -11.343 -7.167 422 HB ILE 50 HB ILE 50 4.445 -8.984 -6.363 423 HG12 ILE 50 HG12 ILE 50 1.444 -9.039 -6.542 424 HG13 ILE 50 HG11 ILE 50 2.276 -9.507 -5.063 425 HG21 ILE 50 HG21 ILE 50 2.952 -9.649 -8.827 426 HG22 ILE 50 HG22 ILE 50 4.412 -8.687 -8.608 427 HG23 ILE 50 HG23 ILE 50 2.834 -7.992 -8.241 428 HD11 ILE 50 HD11 ILE 50 2.296 -6.834 -6.425 429 HD12 ILE 50 HD12 ILE 50 3.408 -7.268 -5.128 430 HD13 ILE 50 HD13 ILE 50 1.673 -7.242 -4.827 431 H ASN 51 H ASN 51 5.096 -12.951 -6.364 432 HA ASN 51 HA ASN 51 7.421 -12.422 -7.707 433 HB2 ASN 51 HB2 ASN 51 6.351 -14.621 -6.421 434 HB3 ASN 51 HB1 ASN 51 6.586 -15.203 -8.067 435 HD21 ASN 51 HD21 ASN 51 8.289 -13.315 -5.590 436 HD22 ASN 51 HD22 ASN 51 9.838 -14.024 -5.874 437 H GLU 52 H GLU 52 4.337 -13.305 -9.055 438 HA GLU 52 HA GLU 52 5.506 -13.613 -11.724 439 HB2 GLU 52 HB2 GLU 52 2.950 -14.437 -10.444 440 HB3 GLU 52 HB1 GLU 52 2.909 -14.075 -12.163 441 HG2 GLU 52 HG2 GLU 52 5.099 -15.677 -12.002 442 HG3 GLU 52 HG1 GLU 52 4.067 -16.354 -10.743 443 HA PRO 53 HA PRO 53 4.273 -9.617 -13.083 444 HB2 PRO 53 HB2 PRO 53 3.541 -10.067 -15.649 445 HB3 PRO 53 HB1 PRO 53 5.223 -10.089 -15.106 446 HG2 PRO 53 HG2 PRO 53 3.353 -12.374 -15.568 447 HG3 PRO 53 HG1 PRO 53 5.055 -12.209 -16.035 448 HD2 PRO 53 HD2 PRO 53 4.287 -13.628 -13.871 449 HD3 PRO 53 HD1 PRO 53 5.816 -12.727 -13.917 450 H SER 54 H SER 54 1.991 -12.232 -13.342 451 HA SER 54 HA SER 54 -0.264 -10.814 -14.213 452 HB2 SER 54 HB2 SER 54 0.021 -13.344 -13.989 453 HB3 SER 54 HB1 SER 54 -0.365 -13.131 -12.282 454 HG SER 54 HG SER 54 -1.998 -12.419 -14.493 455 H ARG 55 H ARG 55 1.135 -11.218 -11.011 456 HA ARG 55 HA ARG 55 -1.076 -9.828 -9.740 457 HB2 ARG 55 HB2 ARG 55 1.505 -10.943 -8.638 458 HB3 ARG 55 HB1 ARG 55 0.264 -10.169 -7.660 459 HG2 ARG 55 HG2 ARG 55 -0.714 -12.138 -7.432 460 HG3 ARG 55 HG1 ARG 55 -1.057 -12.131 -9.161 461 HD2 ARG 55 HD2 ARG 55 1.093 -13.198 -9.599 462 HD3 ARG 55 HD1 ARG 55 1.463 -13.180 -7.877 463 HE ARG 55 HE ARG 55 -0.267 -15.014 -9.263 464 HH11 ARG 55 HH11 ARG 55 0.511 -13.581 -6.176 465 HH12 ARG 55 HH12 ARG 55 -0.172 -14.881 -5.260 466 HH21 ARG 55 HH21 ARG 55 -1.166 -16.725 -8.060 467 HH22 ARG 55 HH22 ARG 55 -1.124 -16.666 -6.328 468 H LEU 56 H LEU 56 1.061 -8.605 -11.670 469 HA LEU 56 HA LEU 56 2.611 -6.753 -10.295 470 HB2 LEU 56 HB2 LEU 56 1.503 -6.944 -13.045 471 HB3 LEU 56 HB1 LEU 56 2.138 -5.390 -12.538 472 HG LEU 56 HG LEU 56 3.790 -7.876 -12.238 473 HD11 LEU 56 HD11 LEU 56 2.840 -7.476 -14.629 474 HD12 LEU 56 HD12 LEU 56 4.557 -7.808 -14.410 475 HD13 LEU 56 HD13 LEU 56 4.006 -6.154 -14.667 476 HD21 LEU 56 HD21 LEU 56 5.499 -6.466 -11.821 477 HD22 LEU 56 HD22 LEU 56 4.201 -5.358 -11.376 478 HD23 LEU 56 HD23 LEU 56 4.932 -5.261 -12.978 479 HA PRO 57 HA PRO 57 -1.327 -3.724 -11.123 480 HB2 PRO 57 HB2 PRO 57 -3.162 -5.876 -10.135 481 HB3 PRO 57 HB1 PRO 57 -3.499 -4.527 -11.228 482 HG2 PRO 57 HG2 PRO 57 -3.114 -6.970 -12.196 483 HG3 PRO 57 HG1 PRO 57 -2.451 -5.552 -13.031 484 HD2 PRO 57 HD2 PRO 57 -1.060 -7.622 -11.415 485 HD3 PRO 57 HD1 PRO 57 -0.461 -6.666 -12.784 486 H LEU 58 H LEU 58 -0.726 -6.095 -8.594 487 HA LEU 58 HA LEU 58 -2.011 -4.909 -6.445 488 HB2 LEU 58 HB2 LEU 58 -0.059 -6.934 -6.829 489 HB3 LEU 58 HB1 LEU 58 0.513 -5.882 -5.548 490 HG LEU 58 HG LEU 58 -2.188 -7.229 -5.584 491 HD11 LEU 58 HD11 LEU 58 0.110 -7.917 -3.785 492 HD12 LEU 58 HD12 LEU 58 -0.106 -8.700 -5.350 493 HD13 LEU 58 HD13 LEU 58 -1.357 -8.839 -4.115 494 HD21 LEU 58 HD21 LEU 58 -2.370 -5.271 -4.292 495 HD22 LEU 58 HD22 LEU 58 -0.767 -5.490 -3.587 496 HD23 LEU 58 HD23 LEU 58 -2.087 -6.569 -3.133 497 H PHE 59 H PHE 59 1.287 -4.282 -7.631 498 HA PHE 59 HA PHE 59 2.103 -2.451 -5.726 499 HB2 PHE 59 HB2 PHE 59 2.740 -2.234 -8.670 500 HB3 PHE 59 HB1 PHE 59 3.719 -1.671 -7.322 501 HD1 PHE 59 HD1 PHE 59 3.741 -3.933 -5.514 502 HD2 PHE 59 HD2 PHE 59 3.949 -3.857 -9.764 503 HE1 PHE 59 HE1 PHE 59 4.945 -6.080 -5.491 504 HE2 PHE 59 HE2 PHE 59 5.151 -6.003 -9.748 505 HZ PHE 59 HZ PHE 59 5.650 -7.118 -7.609 506 H ASP 60 H ASP 60 0.423 -1.779 -8.791 507 HA ASP 60 HA ASP 60 0.160 1.017 -8.236 508 HB2 ASP 60 HB2 ASP 60 -0.287 -0.721 -10.461 509 HB3 ASP 60 HB1 ASP 60 -1.760 0.199 -10.174 510 H ALA 61 H ALA 61 -1.654 -1.825 -7.524 511 HA ALA 61 HA ALA 61 -4.188 -0.638 -7.104 512 HB1 ALA 61 HB1 ALA 61 -2.983 -3.174 -6.007 513 HB2 ALA 61 HB2 ALA 61 -3.976 -3.010 -7.456 514 HB3 ALA 61 HB3 ALA 61 -4.682 -2.722 -5.866 515 H ILE 62 H ILE 62 -1.583 -1.541 -4.855 516 HA ILE 62 HA ILE 62 -2.918 -0.489 -2.565 517 HB ILE 62 HB ILE 62 0.011 -1.147 -2.809 518 HG12 ILE 62 HG12 ILE 62 -2.284 -2.964 -2.042 519 HG13 ILE 62 HG11 ILE 62 -1.396 -3.037 -3.560 520 HG21 ILE 62 HG21 ILE 62 -1.343 -1.695 -0.294 521 HG22 ILE 62 HG22 ILE 62 -1.390 0.011 -0.738 522 HG23 ILE 62 HG23 ILE 62 0.158 -0.824 -0.607 523 HD11 ILE 62 HD11 ILE 62 -0.804 -4.668 -1.647 524 HD12 ILE 62 HD12 ILE 62 0.057 -3.288 -0.967 525 HD13 ILE 62 HD13 ILE 62 0.492 -3.901 -2.563 526 H ARG 63 H ARG 63 -0.457 0.764 -4.752 527 HA ARG 63 HA ARG 63 0.655 2.820 -3.393 528 HB2 ARG 63 HB2 ARG 63 0.218 2.187 -6.140 529 HB3 ARG 63 HB1 ARG 63 -0.044 3.911 -5.921 530 HG2 ARG 63 HG2 ARG 63 2.254 3.492 -4.499 531 HG3 ARG 63 HG1 ARG 63 2.425 2.360 -5.842 532 HD2 ARG 63 HD2 ARG 63 1.461 5.033 -6.589 533 HD3 ARG 63 HD1 ARG 63 3.099 4.992 -5.937 534 HE ARG 63 HE ARG 63 3.093 2.997 -7.774 535 HH11 ARG 63 HH11 ARG 63 2.244 6.378 -7.889 536 HH12 ARG 63 HH12 ARG 63 2.684 6.562 -9.554 537 HH21 ARG 63 HH21 ARG 63 3.672 3.235 -9.963 538 HH22 ARG 63 HH22 ARG 63 3.494 4.776 -10.732 539 HA PRO 64 HA PRO 64 -3.193 5.761 -4.734 540 HB2 PRO 64 HB2 PRO 64 -5.120 3.555 -4.109 541 HB3 PRO 64 HB1 PRO 64 -5.302 4.926 -5.212 542 HG2 PRO 64 HG2 PRO 64 -4.706 2.493 -6.134 543 HG3 PRO 64 HG1 PRO 64 -4.001 3.949 -6.856 544 HD2 PRO 64 HD2 PRO 64 -2.734 1.890 -5.148 545 HD3 PRO 64 HD1 PRO 64 -2.002 2.974 -6.345 546 H LEU 65 H LEU 65 -3.902 3.175 -2.350 547 HA LEU 65 HA LEU 65 -4.814 5.069 -0.410 548 HB2 LEU 65 HB2 LEU 65 -4.949 3.152 1.112 549 HB3 LEU 65 HB1 LEU 65 -5.752 2.852 -0.416 550 HG LEU 65 HG LEU 65 -2.957 1.938 -0.299 551 HD11 LEU 65 HD11 LEU 65 -3.236 0.150 1.163 552 HD12 LEU 65 HD12 LEU 65 -4.992 0.325 1.192 553 HD13 LEU 65 HD13 LEU 65 -3.974 1.505 2.019 554 HD21 LEU 65 HD21 LEU 65 -5.563 1.112 -1.441 555 HD22 LEU 65 HD22 LEU 65 -4.378 -0.154 -1.116 556 HD23 LEU 65 HD23 LEU 65 -3.969 1.184 -2.189 557 H ILE 66 H ILE 66 -1.768 3.617 -1.187 558 HA ILE 66 HA ILE 66 -0.469 4.015 1.290 559 HB ILE 66 HB ILE 66 0.568 3.690 -1.520 560 HG12 ILE 66 HG12 ILE 66 0.667 1.917 0.931 561 HG13 ILE 66 HG11 ILE 66 -0.409 1.710 -0.447 562 HG21 ILE 66 HG21 ILE 66 2.819 3.337 -0.381 563 HG22 ILE 66 HG22 ILE 66 2.124 4.189 0.998 564 HG23 ILE 66 HG23 ILE 66 2.260 5.000 -0.561 565 HD11 ILE 66 HD11 ILE 66 1.268 0.939 -1.810 566 HD12 ILE 66 HD12 ILE 66 1.771 0.302 -0.244 567 HD13 ILE 66 HD13 ILE 66 2.536 1.753 -0.893 568 HA PRO 67 HA PRO 67 -0.134 8.464 1.615 569 HB2 PRO 67 HB2 PRO 67 2.582 8.187 2.531 570 HB3 PRO 67 HB1 PRO 67 1.146 8.600 3.464 571 HG2 PRO 67 HG2 PRO 67 2.528 6.035 3.224 572 HG3 PRO 67 HG1 PRO 67 1.358 6.569 4.437 573 HD2 PRO 67 HD2 PRO 67 0.807 4.695 2.542 574 HD3 PRO 67 HD1 PRO 67 -0.427 5.758 3.247 575 H LEU 68 H LEU 68 0.450 9.978 0.400 576 HA LEU 68 HA LEU 68 1.466 9.692 -2.108 577 HB2 LEU 68 HB2 LEU 68 0.837 11.795 -0.218 578 HB3 LEU 68 HB1 LEU 68 2.090 12.272 -1.348 579 HG LEU 68 HG LEU 68 -0.652 11.254 -2.063 580 HD11 LEU 68 HD11 LEU 68 -0.728 13.496 -1.147 581 HD12 LEU 68 HD12 LEU 68 -1.026 13.542 -2.884 582 HD13 LEU 68 HD13 LEU 68 0.549 14.014 -2.247 583 HD21 LEU 68 HD21 LEU 68 1.594 11.003 -3.585 584 HD22 LEU 68 HD22 LEU 68 0.970 12.562 -4.124 585 HD23 LEU 68 HD23 LEU 68 -0.046 11.123 -4.219 586 H LYS 69 H LYS 69 3.237 10.681 0.824 587 HA LYS 69 HA LYS 69 5.722 11.049 -0.498 588 HB2 LYS 69 HB2 LYS 69 6.661 10.838 1.865 589 HB3 LYS 69 HB1 LYS 69 5.508 12.135 1.584 590 HG2 LYS 69 HG2 LYS 69 4.033 9.864 2.398 591 HG3 LYS 69 HG1 LYS 69 5.405 10.030 3.494 592 HD2 LYS 69 HD2 LYS 69 4.628 12.591 3.383 593 HD3 LYS 69 HD1 LYS 69 3.075 11.810 3.076 594 HE2 LYS 69 HE2 LYS 69 3.722 10.340 5.126 595 HE3 LYS 69 HE1 LYS 69 4.830 11.661 5.493 596 HZ1 LYS 69 HZ1 LYS 69 1.899 11.950 5.105 597 HZ2 LYS 69 HZ2 LYS 69 2.974 13.184 5.529 598 HZ3 LYS 69 HZ3 LYS 69 2.683 11.911 6.604 599 H HIS 70 H HIS 70 4.261 8.350 1.246 600 HA HIS 70 HA HIS 70 6.506 6.627 1.077 601 HB2 HIS 70 HB2 HIS 70 3.579 6.195 1.615 602 HB3 HIS 70 HB1 HIS 70 4.679 4.830 1.454 603 HD1 HIS 70 HD1 HIS 70 4.327 4.186 3.938 604 HD2 HIS 70 HD2 HIS 70 5.946 7.970 3.368 605 HE1 HIS 70 HE1 HIS 70 5.169 4.905 6.196 606 HE2 HIS 70 HE2 HIS 70 6.209 7.167 5.812 607 H GLN 71 H GLN 71 3.946 7.472 -1.112 608 HA GLN 71 HA GLN 71 4.049 5.236 -2.820 609 HB2 GLN 71 HB2 GLN 71 3.175 8.086 -3.151 610 HB3 GLN 71 HB1 GLN 71 3.273 7.038 -4.559 611 HG2 GLN 71 HG2 GLN 71 1.681 5.518 -3.605 612 HG3 GLN 71 HG1 GLN 71 1.669 6.420 -2.091 613 HE21 GLN 71 HE21 GLN 71 1.366 7.221 -5.540 614 HE22 GLN 71 HE22 GLN 71 -0.066 8.171 -5.368 615 H VAL 72 H VAL 72 5.763 8.340 -2.873 616 HA VAL 72 HA VAL 72 7.263 7.873 -5.211 617 HB VAL 72 HB VAL 72 8.300 9.471 -2.890 618 HG11 VAL 72 HG11 VAL 72 8.807 10.917 -5.101 619 HG12 VAL 72 HG12 VAL 72 8.815 9.293 -5.786 620 HG13 VAL 72 HG13 VAL 72 9.905 9.696 -4.459 621 HG21 VAL 72 HG21 VAL 72 5.878 9.956 -4.486 622 HG22 VAL 72 HG22 VAL 72 6.976 11.330 -4.349 623 HG23 VAL 72 HG23 VAL 72 6.330 10.567 -2.895 624 H GLU 73 H GLU 73 8.193 7.562 -1.773 625 HA GLU 73 HA GLU 73 10.703 6.398 -2.233 626 HB2 GLU 73 HB2 GLU 73 8.903 5.844 0.134 627 HB3 GLU 73 HB1 GLU 73 10.655 5.708 0.082 628 HG2 GLU 73 HG2 GLU 73 10.429 8.276 -0.582 629 HG3 GLU 73 HG1 GLU 73 8.940 8.101 0.347 630 H TYR 74 H TYR 74 7.486 5.044 -2.079 631 HA TYR 74 HA TYR 74 8.161 2.317 -1.981 632 HB2 TYR 74 HB2 TYR 74 5.863 3.090 -1.623 633 HB3 TYR 74 HB1 TYR 74 5.781 3.667 -3.283 634 HD1 TYR 74 HD2 TYR 74 5.935 1.958 -5.157 635 HD2 TYR 74 HD1 TYR 74 5.316 0.870 -1.092 636 HE1 TYR 74 HE2 TYR 74 5.086 -0.232 -5.881 637 HE2 TYR 74 HE1 TYR 74 4.466 -1.325 -1.803 638 HH TYR 74 HH TYR 74 3.311 -2.198 -4.094 639 H ASP 75 H ASP 75 8.043 4.689 -4.539 640 HA ASP 75 HA ASP 75 8.349 2.836 -6.695 641 HB2 ASP 75 HB2 ASP 75 9.026 5.785 -6.662 642 HB3 ASP 75 HB1 ASP 75 8.716 4.786 -8.080 643 H GLN 76 H GLN 76 10.526 4.796 -4.717 644 HA GLN 76 HA GLN 76 12.883 4.256 -6.187 645 HB2 GLN 76 HB2 GLN 76 12.355 5.181 -3.375 646 HB3 GLN 76 HB1 GLN 76 13.992 4.868 -3.939 647 HG2 GLN 76 HG2 GLN 76 14.051 6.718 -5.219 648 HG3 GLN 76 HG1 GLN 76 12.352 6.595 -5.669 649 HE21 GLN 76 HE21 GLN 76 13.884 6.773 -2.486 650 HE22 GLN 76 HE22 GLN 76 13.076 8.216 -1.983 651 H LEU 77 H LEU 77 11.092 2.423 -3.858 652 HA LEU 77 HA LEU 77 13.304 0.626 -3.299 653 HB2 LEU 77 HB2 LEU 77 10.429 0.618 -2.392 654 HB3 LEU 77 HB1 LEU 77 11.627 -0.559 -1.886 655 HG LEU 77 HG LEU 77 12.404 2.245 -1.443 656 HD11 LEU 77 HD11 LEU 77 10.367 1.106 0.428 657 HD12 LEU 77 HD12 LEU 77 9.871 2.062 -0.969 658 HD13 LEU 77 HD13 LEU 77 10.921 2.771 0.257 659 HD21 LEU 77 HD21 LEU 77 12.666 -0.406 -0.145 660 HD22 LEU 77 HD22 LEU 77 12.719 1.015 0.899 661 HD23 LEU 77 HD23 LEU 77 13.876 0.850 -0.423 662 H THR 78 H THR 78 10.413 0.707 -5.271 663 HA THR 78 HA THR 78 9.906 -1.911 -5.800 664 HB THR 78 HB THR 78 9.889 -0.552 -8.316 665 HG1 THR 78 HG1 THR 78 9.333 1.403 -7.817 666 HG21 THR 78 HG21 THR 78 7.356 -0.457 -7.002 667 HG22 THR 78 HG22 THR 78 8.115 -2.026 -6.726 668 HG23 THR 78 HG23 THR 78 7.872 -1.442 -8.372 669 HA PRO 79 HA PRO 79 13.339 -2.226 -9.127 670 HB2 PRO 79 HB2 PRO 79 15.021 -0.147 -9.489 671 HB3 PRO 79 HB1 PRO 79 13.451 -0.243 -10.295 672 HG2 PRO 79 HG2 PRO 79 14.244 1.310 -7.864 673 HG3 PRO 79 HG1 PRO 79 13.214 1.801 -9.222 674 HD2 PRO 79 HD2 PRO 79 12.242 0.954 -6.805 675 HD3 PRO 79 HD1 PRO 79 11.355 0.789 -8.332 676 H ARG 80 H ARG 80 15.949 -2.006 -9.160 677 HA ARG 80 HA ARG 80 16.777 -3.104 -6.637 678 HB2 ARG 80 HB2 ARG 80 18.568 -2.450 -8.971 679 HB3 ARG 80 HB1 ARG 80 18.821 -3.656 -7.716 680 HG2 ARG 80 HG2 ARG 80 18.086 -5.082 -9.278 681 HG3 ARG 80 HG1 ARG 80 16.491 -4.522 -8.775 682 HD2 ARG 80 HD2 ARG 80 16.126 -3.821 -10.849 683 HD3 ARG 80 HD1 ARG 80 17.432 -2.653 -10.654 684 HE ARG 80 HE ARG 80 18.772 -3.978 -11.959 685 HH11 ARG 80 HH11 ARG 80 15.965 -5.808 -10.985 686 HH12 ARG 80 HH12 ARG 80 16.313 -7.140 -12.034 687 HH21 ARG 80 HH21 ARG 80 19.232 -5.729 -13.340 688 HH22 ARG 80 HH22 ARG 80 18.169 -7.095 -13.372 689 H1 ASP 100 H ASP 100 -5.778 12.896 1.432 690 HA ASP 100 HA ASP 100 -7.315 12.889 3.696 691 HB2 ASP 100 HB2 ASP 100 -8.794 11.865 1.389 692 HB3 ASP 100 HB1 ASP 100 -8.733 10.717 2.723 693 H ASP 101 H ASP 101 -4.797 12.321 3.480 694 HA ASP 101 HA ASP 101 -4.213 9.549 3.056 695 HB2 ASP 101 HB2 ASP 101 -2.580 11.735 4.364 696 HB3 ASP 101 HB1 ASP 101 -1.976 10.130 3.961 697 H ASP 102 H ASP 102 -3.328 8.120 4.713 698 HA ASP 102 HA ASP 102 -3.516 6.958 6.660 699 HB2 ASP 102 HB2 ASP 102 -2.524 9.336 7.380 700 HB3 ASP 102 HB1 ASP 102 -4.052 9.416 8.252 701 H ARG 103 H ARG 103 -5.828 7.115 5.170 702 HA ARG 103 HA ARG 103 -7.841 6.867 7.271 703 HB2 ARG 103 HB2 ARG 103 -7.823 9.171 5.923 704 HB3 ARG 103 HB1 ARG 103 -8.733 8.205 4.768 705 HG2 ARG 103 HG2 ARG 103 -10.466 8.980 5.993 706 HG3 ARG 103 HG1 ARG 103 -10.079 7.563 6.971 707 HD2 ARG 103 HD2 ARG 103 -8.977 8.840 8.590 708 HD3 ARG 103 HD1 ARG 103 -8.812 10.226 7.515 709 HE ARG 103 HE ARG 103 -10.920 10.904 8.111 710 HH11 ARG 103 HH11 ARG 103 -10.435 7.616 9.178 711 HH12 ARG 103 HH12 ARG 103 -11.895 7.571 10.109 712 HH21 ARG 103 HH21 ARG 103 -12.840 10.846 9.334 713 HH22 ARG 103 HH22 ARG 103 -13.260 9.404 10.196 714 H TYR 104 H TYR 104 -7.107 6.480 3.820 715 HA TYR 104 HA TYR 104 -9.143 4.556 3.344 716 HB2 TYR 104 HB2 TYR 104 -6.640 5.280 1.816 717 HB3 TYR 104 HB1 TYR 104 -7.810 4.096 1.243 718 HD1 TYR 104 HD1 TYR 104 -7.320 7.666 2.057 719 HD2 TYR 104 HD2 TYR 104 -9.858 4.776 0.239 720 HE1 TYR 104 HE1 TYR 104 -8.643 9.474 1.044 721 HE2 TYR 104 HE2 TYR 104 -11.188 6.576 -0.779 722 HH TYR 104 HH TYR 104 -10.809 8.997 -1.443 723 H LEU 105 H LEU 105 -5.831 4.373 4.438 724 HA LEU 105 HA LEU 105 -5.410 1.620 3.968 725 HB2 LEU 105 HB2 LEU 105 -3.620 3.273 4.445 726 HB3 LEU 105 HB1 LEU 105 -4.179 3.364 6.104 727 HG LEU 105 HG LEU 105 -3.660 0.939 6.361 728 HD11 LEU 105 HD11 LEU 105 -2.123 -0.044 4.653 729 HD12 LEU 105 HD12 LEU 105 -2.534 1.306 3.594 730 HD13 LEU 105 HD13 LEU 105 -3.787 0.175 4.107 731 HD21 LEU 105 HD21 LEU 105 -1.229 2.436 5.435 732 HD22 LEU 105 HD22 LEU 105 -1.374 1.273 6.752 733 HD23 LEU 105 HD23 LEU 105 -2.089 2.876 6.910 734 H ARG 106 H ARG 106 -6.357 3.358 6.932 735 HA ARG 106 HA ARG 106 -6.775 0.991 8.444 736 HB2 ARG 106 HB2 ARG 106 -7.703 2.434 10.137 737 HB3 ARG 106 HB1 ARG 106 -6.289 3.214 9.445 738 HG2 ARG 106 HG2 ARG 106 -8.146 4.304 7.885 739 HG3 ARG 106 HG1 ARG 106 -9.142 3.980 9.305 740 HD2 ARG 106 HD2 ARG 106 -6.489 5.371 9.512 741 HD3 ARG 106 HD1 ARG 106 -7.975 6.253 9.160 742 HE ARG 106 HE ARG 106 -8.143 4.566 11.484 743 HH11 ARG 106 HH11 ARG 106 -7.245 7.720 10.288 744 HH12 ARG 106 HH12 ARG 106 -7.438 8.494 11.825 745 HH21 ARG 106 HH21 ARG 106 -8.398 5.585 13.505 746 HH22 ARG 106 HH22 ARG 106 -8.093 7.283 13.651 747 H GLU 107 H GLU 107 -8.801 2.967 6.389 748 HA GLU 107 HA GLU 107 -11.324 2.099 7.198 749 HB2 GLU 107 HB2 GLU 107 -10.969 3.965 5.644 750 HB3 GLU 107 HB1 GLU 107 -10.398 2.843 4.417 751 HG2 GLU 107 HG2 GLU 107 -12.670 3.479 3.957 752 HG3 GLU 107 HG1 GLU 107 -12.604 1.771 4.389 753 H ALA 108 H ALA 108 -9.379 0.863 4.472 754 HA ALA 108 HA ALA 108 -11.069 -1.382 4.034 755 HB1 ALA 108 HB1 ALA 108 -9.500 -0.275 2.364 756 HB2 ALA 108 HB2 ALA 108 -9.540 -2.037 2.373 757 HB3 ALA 108 HB3 ALA 108 -8.206 -1.184 3.146 758 H ILE 109 H ILE 109 -8.018 -0.904 5.745 759 HA ILE 109 HA ILE 109 -7.399 -3.555 6.321 760 HB ILE 109 HB ILE 109 -6.774 -0.955 7.669 761 HG12 ILE 109 HG12 ILE 109 -5.091 -3.120 6.391 762 HG13 ILE 109 HG11 ILE 109 -5.549 -1.591 5.649 763 HG21 ILE 109 HG21 ILE 109 -5.276 -2.196 9.236 764 HG22 ILE 109 HG22 ILE 109 -6.104 -3.681 8.761 765 HG23 ILE 109 HG23 ILE 109 -6.999 -2.389 9.563 766 HD11 ILE 109 HD11 ILE 109 -4.350 -0.643 7.824 767 HD12 ILE 109 HD12 ILE 109 -3.477 -1.032 6.341 768 HD13 ILE 109 HD13 ILE 109 -3.494 -2.178 7.681 769 H GLN 110 H GLN 110 -9.172 -1.234 8.386 770 HA GLN 110 HA GLN 110 -9.847 -3.112 10.369 771 HB2 GLN 110 HB2 GLN 110 -10.782 -0.389 9.625 772 HB3 GLN 110 HB1 GLN 110 -11.835 -1.343 10.660 773 HG2 GLN 110 HG2 GLN 110 -8.942 -1.043 11.337 774 HG3 GLN 110 HG1 GLN 110 -10.083 0.248 11.711 775 HE21 GLN 110 HE21 GLN 110 -8.618 -1.203 13.623 776 HE22 GLN 110 HE22 GLN 110 -9.735 -2.090 14.597 777 H GLU 111 H GLU 111 -11.422 -2.173 7.372 778 HA GLU 111 HA GLU 111 -13.916 -3.328 7.730 779 HB2 GLU 111 HB2 GLU 111 -12.716 -2.069 5.666 780 HB3 GLU 111 HB1 GLU 111 -12.647 -3.725 5.078 781 HG2 GLU 111 HG2 GLU 111 -14.682 -3.338 4.274 782 HG3 GLU 111 HG1 GLU 111 -15.229 -3.534 5.940 783 H TYR 112 H TYR 112 -10.884 -4.794 6.691 784 HA TYR 112 HA TYR 112 -11.981 -7.406 6.342 785 HB2 TYR 112 HB2 TYR 112 -9.867 -6.608 5.253 786 HB3 TYR 112 HB1 TYR 112 -9.091 -6.645 6.834 787 HD1 TYR 112 HD2 TYR 112 -11.216 -8.959 4.793 788 HD2 TYR 112 HD1 TYR 112 -7.731 -8.465 7.185 789 HE1 TYR 112 HE2 TYR 112 -10.652 -11.329 4.453 790 HE2 TYR 112 HE1 TYR 112 -7.157 -10.832 6.850 791 HH TYR 112 HH TYR 112 -8.532 -12.742 4.503 792 H ASP 113 H ASP 113 -10.530 -5.619 8.986 793 HA ASP 113 HA ASP 113 -10.090 -7.756 10.756 794 HB2 ASP 113 HB2 ASP 113 -9.542 -5.145 10.892 795 HB3 ASP 113 HB1 ASP 113 -11.024 -5.142 11.845 796 H ASN 114 H ASN 114 -12.956 -5.993 9.837 797 HA ASN 114 HA ASN 114 -14.583 -7.113 11.943 798 HB2 ASN 114 HB2 ASN 114 -14.802 -4.940 10.140 799 HB3 ASN 114 HB1 ASN 114 -16.142 -6.026 9.786 800 HD21 ASN 114 HD21 ASN 114 -16.985 -6.986 12.053 801 HD22 ASN 114 HD22 ASN 114 -17.437 -5.749 13.170 802 H ILE 115 H ILE 115 -13.886 -7.748 8.562 803 HA ILE 115 HA ILE 115 -16.003 -9.625 8.178 804 HB ILE 115 HB ILE 115 -13.433 -9.327 6.619 805 HG12 ILE 115 HG12 ILE 115 -16.047 -8.288 5.640 806 HG13 ILE 115 HG11 ILE 115 -15.224 -7.367 6.894 807 HG21 ILE 115 HG21 ILE 115 -15.167 -10.252 4.827 808 HG22 ILE 115 HG22 ILE 115 -15.863 -10.982 6.274 809 HG23 ILE 115 HG23 ILE 115 -14.189 -11.318 5.835 810 HD11 ILE 115 HD11 ILE 115 -14.727 -7.440 4.091 811 HD12 ILE 115 HD12 ILE 115 -13.290 -7.989 4.953 812 HD13 ILE 115 HD13 ILE 115 -13.994 -6.417 5.327 813 H ALA 116 H ALA 116 -12.643 -9.842 9.177 814 HA ALA 116 HA ALA 116 -12.831 -12.753 9.344 815 HB1 ALA 116 HB1 ALA 116 -10.850 -11.669 8.265 816 HB2 ALA 116 HB2 ALA 116 -10.458 -12.780 9.579 817 HB3 ALA 116 HB3 ALA 116 -10.410 -11.037 9.851 818 H LYS 117 H LYS 117 -14.360 -11.160 11.167 819 HA LYS 117 HA LYS 117 -13.125 -10.837 13.667 820 HB2 LYS 117 HB2 LYS 117 -15.827 -10.765 12.596 821 HB3 LYS 117 HB1 LYS 117 -15.787 -11.455 14.212 822 HG2 LYS 117 HG2 LYS 117 -14.139 -9.190 14.304 823 HG3 LYS 117 HG1 LYS 117 -15.575 -8.716 13.396 824 HD2 LYS 117 HD2 LYS 117 -15.614 -10.081 16.088 825 HD3 LYS 117 HD1 LYS 117 -15.788 -8.341 15.839 826 HE2 LYS 117 HE2 LYS 117 -17.798 -8.718 14.516 827 HE3 LYS 117 HE1 LYS 117 -17.613 -10.460 14.708 828 HZ1 LYS 117 HZ1 LYS 117 -18.565 -8.473 16.611 829 HZ2 LYS 117 HZ2 LYS 117 -17.618 -9.723 17.245 830 HZ3 LYS 117 HZ3 LYS 117 -19.038 -10.084 16.399 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -16.435 8.101 -1.930 2 H2 MET 1 HT2 MET 1 -16.225 6.405 -1.772 3 H3 MET 1 HT3 MET 1 -14.911 7.466 -1.471 4 HA MET 1 HA MET 1 -16.334 8.463 0.307 5 HB2 MET 1 HB2 MET 1 -17.931 6.152 -0.634 6 HB3 MET 1 HB1 MET 1 -17.832 6.359 1.109 7 HG2 MET 1 HG2 MET 1 -19.104 8.212 1.100 8 HG3 MET 1 HG1 MET 1 -18.448 8.789 -0.432 9 HE1 MET 1 HE1 MET 1 -20.682 9.692 -1.038 10 HE2 MET 1 HE2 MET 1 -21.722 9.016 0.218 11 HE3 MET 1 HE3 MET 1 -22.107 8.752 -1.482 12 H ASP 2 H ASP 2 -16.528 6.965 2.495 13 HA ASP 2 HA ASP 2 -13.863 5.775 2.718 14 HB2 ASP 2 HB2 ASP 2 -14.275 5.992 5.189 15 HB3 ASP 2 HB1 ASP 2 -14.257 7.519 4.313 16 H ARG 3 H ARG 3 -16.058 4.325 1.493 17 HA ARG 3 HA ARG 3 -16.049 2.003 3.268 18 HB2 ARG 3 HB2 ARG 3 -18.306 3.551 2.930 19 HB3 ARG 3 HB1 ARG 3 -18.536 2.268 1.749 20 HG2 ARG 3 HG2 ARG 3 -17.718 0.905 3.993 21 HG3 ARG 3 HG1 ARG 3 -18.724 2.199 4.649 22 HD2 ARG 3 HD2 ARG 3 -19.850 0.887 2.286 23 HD3 ARG 3 HD1 ARG 3 -19.645 -0.184 3.672 24 HE ARG 3 HE ARG 3 -21.516 1.987 3.413 25 HH11 ARG 3 HH11 ARG 3 -19.770 -0.044 5.652 26 HH12 ARG 3 HH12 ARG 3 -20.903 0.191 6.942 27 HH21 ARG 3 HH21 ARG 3 -23.006 2.296 5.108 28 HH22 ARG 3 HH22 ARG 3 -22.739 1.518 6.633 29 H LYS 4 H LYS 4 -16.828 3.214 0.023 30 HA LYS 4 HA LYS 4 -16.747 0.708 -1.267 31 HB2 LYS 4 HB2 LYS 4 -16.685 3.554 -2.134 32 HB3 LYS 4 HB1 LYS 4 -16.139 2.348 -3.291 33 HG2 LYS 4 HG2 LYS 4 -18.241 1.249 -3.271 34 HG3 LYS 4 HG1 LYS 4 -18.791 2.194 -1.885 35 HD2 LYS 4 HD2 LYS 4 -18.704 4.231 -3.251 36 HD3 LYS 4 HD1 LYS 4 -18.174 3.273 -4.635 37 HE2 LYS 4 HE2 LYS 4 -20.405 1.925 -3.919 38 HE3 LYS 4 HE1 LYS 4 -20.849 3.562 -3.438 39 HZ1 LYS 4 HZ1 LYS 4 -20.445 2.454 -6.091 40 HZ2 LYS 4 HZ2 LYS 4 -19.841 4.016 -5.854 41 HZ3 LYS 4 HZ3 LYS 4 -21.478 3.694 -5.578 42 H VAL 5 H VAL 5 -14.245 3.006 -0.417 43 HA VAL 5 HA VAL 5 -12.181 2.201 -2.076 44 HB VAL 5 HB VAL 5 -11.874 2.905 0.848 45 HG11 VAL 5 HG11 VAL 5 -9.961 2.014 -0.846 46 HG12 VAL 5 HG12 VAL 5 -9.660 3.107 0.503 47 HG13 VAL 5 HG13 VAL 5 -9.867 3.752 -1.125 48 HG21 VAL 5 HG21 VAL 5 -13.075 4.462 -1.090 49 HG22 VAL 5 HG22 VAL 5 -11.410 5.042 -1.069 50 HG23 VAL 5 HG23 VAL 5 -12.363 5.040 0.415 51 H ALA 6 H ALA 6 -13.495 0.669 0.782 52 HA ALA 6 HA ALA 6 -11.437 -1.293 1.049 53 HB1 ALA 6 HB1 ALA 6 -12.944 -0.561 2.900 54 HB2 ALA 6 HB2 ALA 6 -12.842 -2.310 2.695 55 HB3 ALA 6 HB3 ALA 6 -14.255 -1.434 2.105 56 H ARG 7 H ARG 7 -14.614 -1.178 -0.485 57 HA ARG 7 HA ARG 7 -14.698 -3.914 -1.223 58 HB2 ARG 7 HB2 ARG 7 -16.261 -1.483 -1.798 59 HB3 ARG 7 HB1 ARG 7 -16.307 -2.708 -3.059 60 HG2 ARG 7 HG2 ARG 7 -17.039 -4.365 -1.397 61 HG3 ARG 7 HG1 ARG 7 -17.049 -3.099 -0.167 62 HD2 ARG 7 HD2 ARG 7 -18.549 -2.435 -2.594 63 HD3 ARG 7 HD1 ARG 7 -19.185 -3.819 -1.708 64 HE ARG 7 HE ARG 7 -18.658 -1.697 0.073 65 HH11 ARG 7 HH11 ARG 7 -20.895 -2.648 -2.430 66 HH12 ARG 7 HH12 ARG 7 -22.206 -1.719 -1.785 67 HH21 ARG 7 HH21 ARG 7 -20.382 -0.474 0.924 68 HH22 ARG 7 HH22 ARG 7 -21.915 -0.485 0.119 69 H GLU 8 H GLU 8 -13.600 -1.010 -2.907 70 HA GLU 8 HA GLU 8 -13.066 -2.374 -5.355 71 HB2 GLU 8 HB2 GLU 8 -12.002 -0.320 -6.073 72 HB3 GLU 8 HB1 GLU 8 -13.504 0.060 -5.243 73 HG2 GLU 8 HG2 GLU 8 -12.425 1.393 -3.858 74 HG3 GLU 8 HG1 GLU 8 -11.406 0.057 -3.332 75 H PHE 9 H PHE 9 -11.232 -1.697 -2.458 76 HA PHE 9 HA PHE 9 -8.700 -2.435 -3.594 77 HB2 PHE 9 HB2 PHE 9 -8.910 -0.907 -1.638 78 HB3 PHE 9 HB1 PHE 9 -9.500 -2.261 -0.679 79 HD1 PHE 9 HD2 PHE 9 -6.715 -2.105 -3.145 80 HD2 PHE 9 HD1 PHE 9 -7.873 -2.662 0.912 81 HE1 PHE 9 HE2 PHE 9 -4.398 -2.700 -2.569 82 HE2 PHE 9 HE1 PHE 9 -5.558 -3.257 1.496 83 HZ PHE 9 HZ PHE 9 -3.817 -3.277 -0.247 84 H ARG 10 H ARG 10 -11.176 -3.997 -1.628 85 HA ARG 10 HA ARG 10 -9.740 -6.455 -1.348 86 HB2 ARG 10 HB2 ARG 10 -11.751 -5.407 0.047 87 HB3 ARG 10 HB1 ARG 10 -12.704 -6.367 -1.074 88 HG2 ARG 10 HG2 ARG 10 -10.724 -8.103 -0.221 89 HG3 ARG 10 HG1 ARG 10 -11.161 -7.194 1.227 90 HD2 ARG 10 HD2 ARG 10 -13.106 -8.611 -0.592 91 HD3 ARG 10 HD1 ARG 10 -12.506 -9.242 0.942 92 HE ARG 10 HE ARG 10 -13.731 -6.653 1.164 93 HH11 ARG 10 HH11 ARG 10 -14.311 -10.095 1.124 94 HH12 ARG 10 HH12 ARG 10 -15.793 -9.981 2.014 95 HH21 ARG 10 HH21 ARG 10 -15.679 -6.502 2.334 96 HH22 ARG 10 HH22 ARG 10 -16.570 -7.941 2.701 97 H HIS 11 H HIS 11 -12.325 -5.268 -3.463 98 HA HIS 11 HA HIS 11 -12.787 -7.735 -4.773 99 HB2 HIS 11 HB2 HIS 11 -13.348 -4.874 -5.542 100 HB3 HIS 11 HB1 HIS 11 -13.764 -6.221 -6.595 101 HD1 HIS 11 HD1 HIS 11 -16.288 -5.805 -6.380 102 HD2 HIS 11 HD2 HIS 11 -14.392 -6.521 -2.752 103 HE1 HIS 11 HE1 HIS 11 -18.137 -6.184 -4.718 104 HE2 HIS 11 HE2 HIS 11 -16.964 -6.696 -2.546 105 H LYS 12 H LYS 12 -10.722 -4.959 -5.540 106 HA LYS 12 HA LYS 12 -9.791 -5.853 -8.025 107 HB2 LYS 12 HB2 LYS 12 -8.640 -4.036 -5.925 108 HB3 LYS 12 HB1 LYS 12 -7.715 -4.439 -7.365 109 HG2 LYS 12 HG2 LYS 12 -10.457 -3.550 -7.891 110 HG3 LYS 12 HG1 LYS 12 -9.414 -2.338 -7.145 111 HD2 LYS 12 HD2 LYS 12 -7.904 -2.366 -8.923 112 HD3 LYS 12 HD1 LYS 12 -8.483 -3.927 -9.509 113 HE2 LYS 12 HE2 LYS 12 -9.215 -2.103 -10.961 114 HE3 LYS 12 HE1 LYS 12 -10.585 -2.907 -10.196 115 HZ1 LYS 12 HZ1 LYS 12 -9.368 -0.380 -9.222 116 HZ2 LYS 12 HZ2 LYS 12 -10.770 -1.120 -8.634 117 HZ3 LYS 12 HZ3 LYS 12 -10.751 -0.463 -10.192 118 H VAL 13 H VAL 13 -8.200 -6.103 -4.840 119 HA VAL 13 HA VAL 13 -6.062 -7.696 -5.596 120 HB VAL 13 HB VAL 13 -7.528 -7.846 -2.958 121 HG11 VAL 13 HG11 VAL 13 -5.839 -9.646 -3.491 122 HG12 VAL 13 HG12 VAL 13 -5.529 -8.711 -2.029 123 HG13 VAL 13 HG13 VAL 13 -4.616 -8.376 -3.498 124 HG21 VAL 13 HG21 VAL 13 -5.090 -6.229 -3.133 125 HG22 VAL 13 HG22 VAL 13 -6.619 -5.898 -2.315 126 HG23 VAL 13 HG23 VAL 13 -6.458 -5.590 -4.045 127 H ASP 14 H ASP 14 -9.365 -8.600 -4.779 128 HA ASP 14 HA ASP 14 -8.928 -11.401 -4.727 129 HB2 ASP 14 HB2 ASP 14 -11.297 -9.605 -4.850 130 HB3 ASP 14 HB1 ASP 14 -11.528 -11.275 -5.359 131 H PHE 15 H PHE 15 -9.535 -9.092 -7.275 132 HA PHE 15 HA PHE 15 -10.230 -10.978 -9.289 133 HB2 PHE 15 HB2 PHE 15 -9.783 -8.109 -9.104 134 HB3 PHE 15 HB1 PHE 15 -9.104 -8.777 -10.585 135 HD1 PHE 15 HD2 PHE 15 -12.184 -9.567 -8.635 136 HD2 PHE 15 HD1 PHE 15 -10.507 -8.322 -12.342 137 HE1 PHE 15 HE2 PHE 15 -14.426 -9.582 -9.650 138 HE2 PHE 15 HE1 PHE 15 -12.744 -8.333 -13.363 139 HZ PHE 15 HZ PHE 15 -14.708 -8.965 -12.017 140 H LEU 16 H LEU 16 -7.247 -9.673 -8.053 141 HA LEU 16 HA LEU 16 -5.636 -10.780 -10.177 142 HB2 LEU 16 HB2 LEU 16 -4.479 -9.837 -7.596 143 HB3 LEU 16 HB1 LEU 16 -3.836 -9.694 -9.220 144 HG LEU 16 HG LEU 16 -6.263 -8.150 -8.340 145 HD11 LEU 16 HD11 LEU 16 -3.419 -7.164 -8.256 146 HD12 LEU 16 HD12 LEU 16 -4.325 -7.693 -6.836 147 HD13 LEU 16 HD13 LEU 16 -4.873 -6.297 -7.764 148 HD21 LEU 16 HD21 LEU 16 -4.445 -8.183 -10.687 149 HD22 LEU 16 HD22 LEU 16 -5.089 -6.626 -10.163 150 HD23 LEU 16 HD23 LEU 16 -6.189 -7.931 -10.606 151 H ILE 17 H ILE 17 -6.029 -11.403 -6.705 152 HA ILE 17 HA ILE 17 -4.386 -13.747 -6.757 153 HB ILE 17 HB ILE 17 -6.354 -13.005 -4.611 154 HG12 ILE 17 HG12 ILE 17 -4.901 -11.085 -5.097 155 HG13 ILE 17 HG11 ILE 17 -4.554 -11.782 -3.519 156 HG21 ILE 17 HG21 ILE 17 -5.053 -15.279 -4.802 157 HG22 ILE 17 HG22 ILE 17 -5.252 -14.470 -3.248 158 HG23 ILE 17 HG23 ILE 17 -3.734 -14.321 -4.132 159 HD11 ILE 17 HD11 ILE 17 -2.964 -12.335 -6.010 160 HD12 ILE 17 HD12 ILE 17 -2.582 -12.849 -4.366 161 HD13 ILE 17 HD13 ILE 17 -2.536 -11.137 -4.788 162 H GLU 18 H GLU 18 -7.845 -13.267 -6.171 163 HA GLU 18 HA GLU 18 -9.622 -14.577 -6.503 164 HB2 GLU 18 HB2 GLU 18 -7.919 -16.260 -8.296 165 HB3 GLU 18 HB1 GLU 18 -9.660 -16.035 -8.360 166 HG2 GLU 18 HG2 GLU 18 -9.079 -13.566 -8.825 167 HG3 GLU 18 HG1 GLU 18 -7.483 -14.196 -9.232 168 H ASN 19 H ASN 19 -7.029 -15.354 -4.919 169 HA ASN 19 HA ASN 19 -7.938 -18.043 -4.150 170 HB2 ASN 19 HB2 ASN 19 -5.443 -17.345 -4.934 171 HB3 ASN 19 HB1 ASN 19 -5.302 -17.102 -3.196 172 HD21 ASN 19 HD21 ASN 19 -3.827 -18.822 -3.088 173 HD22 ASN 19 HD22 ASN 19 -4.355 -20.466 -3.159 174 H ASP 20 H ASP 20 -6.834 -18.344 -1.709 175 HA ASP 20 HA ASP 20 -8.021 -16.189 -0.103 176 HB2 ASP 20 HB2 ASP 20 -8.426 -19.124 -0.001 177 HB3 ASP 20 HB1 ASP 20 -8.301 -18.296 1.548 178 H ALA 21 H ALA 21 -5.693 -18.871 -0.080 179 HA ALA 21 HA ALA 21 -4.392 -18.222 2.304 180 HB1 ALA 21 HB1 ALA 21 -4.176 -20.293 0.725 181 HB2 ALA 21 HB2 ALA 21 -2.814 -19.795 1.729 182 HB3 ALA 21 HB3 ALA 21 -2.854 -19.364 0.018 183 H GLU 22 H GLU 22 -3.796 -17.146 -1.004 184 HA GLU 22 HA GLU 22 -1.469 -15.644 -0.430 185 HB2 GLU 22 HB2 GLU 22 -3.356 -15.889 -2.702 186 HB3 GLU 22 HB1 GLU 22 -2.432 -14.396 -2.620 187 HG2 GLU 22 HG2 GLU 22 -0.356 -15.703 -2.548 188 HG3 GLU 22 HG1 GLU 22 -1.302 -17.185 -2.684 189 H LYS 23 H LYS 23 -4.891 -14.733 -0.726 190 HA LYS 23 HA LYS 23 -4.514 -11.980 -0.203 191 HB2 LYS 23 HB2 LYS 23 -6.592 -13.201 -1.146 192 HB3 LYS 23 HB1 LYS 23 -7.008 -13.493 0.536 193 HG2 LYS 23 HG2 LYS 23 -6.550 -10.850 0.633 194 HG3 LYS 23 HG1 LYS 23 -7.100 -11.006 -1.037 195 HD2 LYS 23 HD2 LYS 23 -8.568 -11.971 1.418 196 HD3 LYS 23 HD1 LYS 23 -8.969 -10.541 0.464 197 HE2 LYS 23 HE2 LYS 23 -9.318 -12.015 -1.501 198 HE3 LYS 23 HE1 LYS 23 -9.043 -13.410 -0.460 199 HZ1 LYS 23 HZ1 LYS 23 -10.932 -12.142 0.912 200 HZ2 LYS 23 HZ2 LYS 23 -11.268 -13.314 -0.260 201 HZ3 LYS 23 HZ3 LYS 23 -11.361 -11.672 -0.657 202 H ASP 24 H ASP 24 -4.830 -14.783 1.849 203 HA ASP 24 HA ASP 24 -5.377 -13.464 4.273 204 HB2 ASP 24 HB2 ASP 24 -4.833 -16.121 3.435 205 HB3 ASP 24 HB1 ASP 24 -3.696 -15.749 4.727 206 H TYR 25 H TYR 25 -2.315 -14.478 2.776 207 HA TYR 25 HA TYR 25 -0.672 -13.361 4.800 208 HB2 TYR 25 HB2 TYR 25 0.154 -15.120 3.304 209 HB3 TYR 25 HB1 TYR 25 -0.012 -14.042 1.923 210 HD1 TYR 25 HD1 TYR 25 1.788 -14.427 5.158 211 HD2 TYR 25 HD2 TYR 25 1.762 -12.658 1.289 212 HE1 TYR 25 HE1 TYR 25 4.085 -13.627 5.514 213 HE2 TYR 25 HE2 TYR 25 4.060 -11.856 1.634 214 HH TYR 25 HH TYR 25 5.498 -11.553 4.459 215 H LEU 26 H LEU 26 -1.716 -12.149 1.615 216 HA LEU 26 HA LEU 26 -0.260 -9.754 1.699 217 HB2 LEU 26 HB2 LEU 26 -1.412 -10.496 -0.331 218 HB3 LEU 26 HB1 LEU 26 -2.966 -10.294 0.457 219 HG LEU 26 HG LEU 26 -1.882 -7.791 0.717 220 HD11 LEU 26 HD11 LEU 26 -1.069 -8.846 -1.988 221 HD12 LEU 26 HD12 LEU 26 0.030 -8.392 -0.685 222 HD13 LEU 26 HD13 LEU 26 -0.980 -7.167 -1.453 223 HD21 LEU 26 HD21 LEU 26 -3.288 -7.497 -1.552 224 HD22 LEU 26 HD22 LEU 26 -4.031 -7.720 0.032 225 HD23 LEU 26 HD23 LEU 26 -3.845 -9.094 -1.055 226 H TYR 27 H TYR 27 -3.461 -10.610 2.925 227 HA TYR 27 HA TYR 27 -4.116 -8.075 3.969 228 HB2 TYR 27 HB2 TYR 27 -5.156 -10.780 4.177 229 HB3 TYR 27 HB1 TYR 27 -5.219 -9.959 5.730 230 HD1 TYR 27 HD2 TYR 27 -6.137 -7.451 5.563 231 HD2 TYR 27 HD1 TYR 27 -6.986 -10.563 2.788 232 HE1 TYR 27 HE2 TYR 27 -8.172 -6.263 4.862 233 HE2 TYR 27 HE1 TYR 27 -9.023 -9.382 2.078 234 HH TYR 27 HH TYR 27 -9.657 -6.162 2.884 235 H ASP 28 H ASP 28 -2.119 -10.729 5.101 236 HA ASP 28 HA ASP 28 -1.749 -9.718 7.749 237 HB2 ASP 28 HB2 ASP 28 -1.282 -12.119 6.606 238 HB3 ASP 28 HB1 ASP 28 0.343 -11.441 6.539 239 H VAL 29 H VAL 29 -0.161 -9.285 4.642 240 HA VAL 29 HA VAL 29 2.183 -8.030 5.662 241 HB VAL 29 HB VAL 29 0.957 -7.718 2.916 242 HG11 VAL 29 HG11 VAL 29 3.818 -7.369 3.803 243 HG12 VAL 29 HG12 VAL 29 2.684 -6.047 3.531 244 HG13 VAL 29 HG13 VAL 29 3.164 -7.087 2.190 245 HG21 VAL 29 HG21 VAL 29 1.292 -9.967 2.911 246 HG22 VAL 29 HG22 VAL 29 2.533 -9.898 4.162 247 HG23 VAL 29 HG23 VAL 29 2.928 -9.455 2.501 248 H LEU 30 H LEU 30 -0.851 -6.785 4.293 249 HA LEU 30 HA LEU 30 -0.202 -4.051 4.542 250 HB2 LEU 30 HB2 LEU 30 -2.847 -5.495 4.422 251 HB3 LEU 30 HB1 LEU 30 -2.719 -3.746 4.464 252 HG LEU 30 HG LEU 30 -1.247 -5.260 2.347 253 HD11 LEU 30 HD11 LEU 30 -3.217 -5.113 0.893 254 HD12 LEU 30 HD12 LEU 30 -4.181 -4.568 2.267 255 HD13 LEU 30 HD13 LEU 30 -3.486 -6.189 2.266 256 HD21 LEU 30 HD21 LEU 30 -0.708 -3.077 2.078 257 HD22 LEU 30 HD22 LEU 30 -2.179 -2.502 2.860 258 HD23 LEU 30 HD23 LEU 30 -2.229 -3.058 1.187 259 H ARG 31 H ARG 31 -1.575 -6.400 6.747 260 HA ARG 31 HA ARG 31 -2.459 -4.578 8.725 261 HB2 ARG 31 HB2 ARG 31 -2.537 -7.345 8.342 262 HB3 ARG 31 HB1 ARG 31 -1.599 -7.128 9.811 263 HG2 ARG 31 HG2 ARG 31 -3.914 -5.432 9.860 264 HG3 ARG 31 HG1 ARG 31 -4.383 -7.101 9.529 265 HD2 ARG 31 HD2 ARG 31 -2.453 -7.228 11.564 266 HD3 ARG 31 HD1 ARG 31 -3.525 -5.897 11.997 267 HE ARG 31 HE ARG 31 -5.032 -8.157 11.213 268 HH11 ARG 31 HH11 ARG 31 -3.084 -6.950 13.845 269 HH12 ARG 31 HH12 ARG 31 -3.904 -7.889 15.048 270 HH21 ARG 31 HH21 ARG 31 -6.112 -9.392 12.794 271 HH22 ARG 31 HH22 ARG 31 -5.621 -9.276 14.451 272 H MET 32 H MET 32 0.551 -6.428 8.335 273 HA MET 32 HA MET 32 1.754 -5.425 10.709 274 HB2 MET 32 HB2 MET 32 3.757 -6.488 9.963 275 HB3 MET 32 HB1 MET 32 2.416 -7.540 9.538 276 HG2 MET 32 HG2 MET 32 2.578 -7.021 7.264 277 HG3 MET 32 HG1 MET 32 3.581 -5.604 7.568 278 HE1 MET 32 HE1 MET 32 5.839 -5.873 8.932 279 HE2 MET 32 HE2 MET 32 6.926 -7.249 8.753 280 HE3 MET 32 HE3 MET 32 5.585 -7.327 9.895 281 H TYR 33 H TYR 33 1.634 -4.372 7.382 282 HA TYR 33 HA TYR 33 3.723 -2.494 7.437 283 HB2 TYR 33 HB2 TYR 33 2.907 -3.057 5.305 284 HB3 TYR 33 HB1 TYR 33 1.234 -2.790 5.773 285 HD1 TYR 33 HD1 TYR 33 4.053 -0.463 6.387 286 HD2 TYR 33 HD2 TYR 33 0.576 -1.285 4.078 287 HE1 TYR 33 HE1 TYR 33 4.153 1.805 5.440 288 HE2 TYR 33 HE2 TYR 33 0.667 0.980 3.124 289 HH TYR 33 HH TYR 33 1.574 3.134 3.579 290 H HIS 34 H HIS 34 0.279 -2.208 8.210 291 HA HIS 34 HA HIS 34 0.369 0.589 8.739 292 HB2 HIS 34 HB2 HIS 34 -1.697 -0.725 8.147 293 HB3 HIS 34 HB1 HIS 34 -1.657 -1.402 9.772 294 HD1 HIS 34 HD1 HIS 34 -1.932 1.983 8.075 295 HD2 HIS 34 HD2 HIS 34 -2.940 0.099 11.638 296 HE1 HIS 34 HE1 HIS 34 -3.308 3.655 9.354 297 HE2 HIS 34 HE2 HIS 34 -3.815 2.532 11.551 298 H GLN 35 H GLN 35 0.935 -2.285 10.636 299 HA GLN 35 HA GLN 35 0.775 -1.019 13.185 300 HB2 GLN 35 HB2 GLN 35 1.697 -3.660 12.166 301 HB3 GLN 35 HB1 GLN 35 2.241 -3.158 13.760 302 HG2 GLN 35 HG2 GLN 35 -0.135 -2.816 14.399 303 HG3 GLN 35 HG1 GLN 35 -0.603 -3.489 12.837 304 HE21 GLN 35 HE21 GLN 35 1.604 -4.299 15.500 305 HE22 GLN 35 HE22 GLN 35 1.159 -5.966 15.587 306 H THR 36 H THR 36 3.566 -2.288 11.390 307 HA THR 36 HA THR 36 5.425 -0.852 13.040 308 HB THR 36 HB THR 36 6.095 -2.991 12.162 309 HG1 THR 36 HG1 THR 36 7.973 -2.077 12.129 310 HG21 THR 36 HG21 THR 36 6.640 -2.651 9.481 311 HG22 THR 36 HG22 THR 36 5.015 -1.994 9.673 312 HG23 THR 36 HG23 THR 36 5.363 -3.648 10.178 313 H MET 37 H MET 37 3.752 -0.227 10.077 314 HA MET 37 HA MET 37 3.659 1.610 8.736 315 HB2 MET 37 HB2 MET 37 4.610 2.608 11.272 316 HB3 MET 37 HB1 MET 37 5.328 3.518 9.952 317 HG2 MET 37 HG2 MET 37 3.460 4.740 10.135 318 HG3 MET 37 HG1 MET 37 2.776 3.463 9.130 319 HE1 MET 37 HE1 MET 37 0.155 4.367 10.331 320 HE2 MET 37 HE2 MET 37 -0.266 2.776 10.967 321 HE3 MET 37 HE3 MET 37 0.657 2.912 9.470 322 H ASP 38 H ASP 38 5.609 -0.386 8.266 323 HA ASP 38 HA ASP 38 7.861 1.175 7.188 324 HB2 ASP 38 HB2 ASP 38 7.624 -1.695 8.055 325 HB3 ASP 38 HB1 ASP 38 8.912 -1.177 6.973 326 H VAL 39 H VAL 39 7.548 1.698 5.133 327 HA VAL 39 HA VAL 39 5.811 0.254 3.392 328 HB VAL 39 HB VAL 39 7.865 2.332 2.626 329 HG11 VAL 39 HG11 VAL 39 6.573 2.670 0.662 330 HG12 VAL 39 HG12 VAL 39 5.276 1.635 1.257 331 HG13 VAL 39 HG13 VAL 39 6.831 0.932 0.810 332 HG21 VAL 39 HG21 VAL 39 6.249 4.018 2.991 333 HG22 VAL 39 HG22 VAL 39 6.246 3.022 4.445 334 HG23 VAL 39 HG23 VAL 39 4.966 2.837 3.246 335 H ALA 40 H ALA 40 9.197 0.109 4.122 336 HA ALA 40 HA ALA 40 10.013 -1.211 1.727 337 HB1 ALA 40 HB1 ALA 40 11.589 -1.651 4.181 338 HB2 ALA 40 HB2 ALA 40 11.361 0.032 3.701 339 HB3 ALA 40 HB3 ALA 40 12.102 -1.111 2.583 340 H VAL 41 H VAL 41 8.533 -2.185 4.688 341 HA VAL 41 HA VAL 41 9.270 -4.947 4.473 342 HB VAL 41 HB VAL 41 7.118 -3.673 6.171 343 HG11 VAL 41 HG11 VAL 41 6.522 -5.841 6.393 344 HG12 VAL 41 HG12 VAL 41 7.880 -5.880 7.516 345 HG13 VAL 41 HG13 VAL 41 8.092 -6.440 5.857 346 HG21 VAL 41 HG21 VAL 41 9.607 -2.972 6.442 347 HG22 VAL 41 HG22 VAL 41 9.787 -4.562 7.187 348 HG23 VAL 41 HG23 VAL 41 8.660 -3.389 7.870 349 H LEU 42 H LEU 42 6.331 -3.043 3.871 350 HA LEU 42 HA LEU 42 4.721 -5.210 3.073 351 HB2 LEU 42 HB2 LEU 42 3.136 -3.641 2.413 352 HB3 LEU 42 HB1 LEU 42 4.020 -2.821 3.683 353 HG LEU 42 HG LEU 42 5.410 -1.873 1.638 354 HD11 LEU 42 HD11 LEU 42 3.672 -3.376 0.222 355 HD12 LEU 42 HD12 LEU 42 4.455 -1.922 -0.398 356 HD13 LEU 42 HD13 LEU 42 2.817 -1.833 0.252 357 HD21 LEU 42 HD21 LEU 42 2.664 -0.800 2.240 358 HD22 LEU 42 HD22 LEU 42 4.096 0.102 1.742 359 HD23 LEU 42 HD23 LEU 42 4.032 -0.643 3.340 360 H VAL 43 H VAL 43 6.905 -3.091 1.284 361 HA VAL 43 HA VAL 43 6.214 -3.966 -1.306 362 HB VAL 43 HB VAL 43 8.893 -2.937 -0.349 363 HG11 VAL 43 HG11 VAL 43 9.471 -3.633 -2.421 364 HG12 VAL 43 HG12 VAL 43 8.704 -2.118 -2.899 365 HG13 VAL 43 HG13 VAL 43 7.806 -3.631 -3.005 366 HG21 VAL 43 HG21 VAL 43 8.078 -0.856 -0.337 367 HG22 VAL 43 HG22 VAL 43 6.486 -1.611 -0.284 368 HG23 VAL 43 HG23 VAL 43 7.172 -1.107 -1.829 369 H GLY 44 H GLY 44 8.644 -5.102 1.020 370 HA2 GLY 44 HA2 GLY 44 9.912 -6.992 -0.606 371 HA3 GLY 44 HA1 GLY 44 9.806 -7.078 1.146 372 H ASP 45 H ASP 45 7.281 -7.541 1.742 373 HA ASP 45 HA ASP 45 6.888 -10.244 1.119 374 HB2 ASP 45 HB2 ASP 45 4.748 -8.332 2.073 375 HB3 ASP 45 HB1 ASP 45 4.808 -10.076 2.314 376 H LEU 46 H LEU 46 5.379 -7.315 -0.191 377 HA LEU 46 HA LEU 46 3.419 -8.418 -1.778 378 HB2 LEU 46 HB2 LEU 46 5.051 -5.953 -1.882 379 HB3 LEU 46 HB1 LEU 46 4.260 -6.407 -3.377 380 HG LEU 46 HG LEU 46 2.880 -5.922 -0.736 381 HD11 LEU 46 HD11 LEU 46 2.424 -3.817 -1.398 382 HD12 LEU 46 HD12 LEU 46 2.304 -4.262 -3.100 383 HD13 LEU 46 HD13 LEU 46 3.886 -4.026 -2.360 384 HD21 LEU 46 HD21 LEU 46 0.947 -6.656 -1.621 385 HD22 LEU 46 HD22 LEU 46 1.998 -7.573 -2.699 386 HD23 LEU 46 HD23 LEU 46 1.323 -6.033 -3.226 387 H LYS 47 H LYS 47 6.862 -8.016 -2.520 388 HA LYS 47 HA LYS 47 6.721 -9.001 -5.169 389 HB2 LYS 47 HB2 LYS 47 8.988 -8.793 -3.190 390 HB3 LYS 47 HB1 LYS 47 9.213 -9.422 -4.817 391 HG2 LYS 47 HG2 LYS 47 9.303 -7.381 -5.679 392 HG3 LYS 47 HG1 LYS 47 7.813 -6.899 -4.865 393 HD2 LYS 47 HD2 LYS 47 9.233 -5.467 -3.822 394 HD3 LYS 47 HD1 LYS 47 9.465 -6.862 -2.766 395 HE2 LYS 47 HE2 LYS 47 11.211 -7.008 -5.056 396 HE3 LYS 47 HE1 LYS 47 11.418 -5.475 -4.210 397 HZ1 LYS 47 HZ1 LYS 47 12.034 -6.548 -2.259 398 HZ2 LYS 47 HZ2 LYS 47 12.811 -7.456 -3.455 399 HZ3 LYS 47 HZ3 LYS 47 11.391 -8.037 -2.742 400 H LEU 48 H LEU 48 7.599 -10.559 -2.092 401 HA LEU 48 HA LEU 48 8.197 -13.097 -3.010 402 HB2 LEU 48 HB2 LEU 48 6.958 -12.113 -0.459 403 HB3 LEU 48 HB1 LEU 48 7.197 -13.829 -0.731 404 HG LEU 48 HG LEU 48 9.349 -11.714 -0.639 405 HD11 LEU 48 HD11 LEU 48 8.440 -12.326 1.545 406 HD12 LEU 48 HD12 LEU 48 10.095 -12.903 1.349 407 HD13 LEU 48 HD13 LEU 48 8.747 -14.029 1.196 408 HD21 LEU 48 HD21 LEU 48 10.696 -14.024 -0.605 409 HD22 LEU 48 HD22 LEU 48 10.350 -13.135 -2.088 410 HD23 LEU 48 HD23 LEU 48 9.336 -14.501 -1.621 411 H VAL 49 H VAL 49 5.122 -11.513 -2.755 412 HA VAL 49 HA VAL 49 3.693 -14.006 -3.333 413 HB VAL 49 HB VAL 49 2.532 -11.270 -2.787 414 HG11 VAL 49 HG11 VAL 49 1.404 -13.929 -3.386 415 HG12 VAL 49 HG12 VAL 49 0.750 -12.321 -3.697 416 HG13 VAL 49 HG13 VAL 49 0.620 -13.028 -2.086 417 HG21 VAL 49 HG21 VAL 49 2.286 -13.358 -0.735 418 HG22 VAL 49 HG22 VAL 49 2.592 -11.630 -0.567 419 HG23 VAL 49 HG23 VAL 49 3.916 -12.726 -0.963 420 H ILE 50 H ILE 50 4.685 -10.982 -4.718 421 HA ILE 50 HA ILE 50 3.129 -11.499 -7.144 422 HB ILE 50 HB ILE 50 4.700 -9.028 -6.407 423 HG12 ILE 50 HG12 ILE 50 1.712 -9.138 -6.466 424 HG13 ILE 50 HG11 ILE 50 2.558 -9.754 -5.049 425 HG21 ILE 50 HG21 ILE 50 2.957 -8.160 -8.208 426 HG22 ILE 50 HG22 ILE 50 3.093 -9.828 -8.763 427 HG23 ILE 50 HG23 ILE 50 4.530 -8.811 -8.660 428 HD11 ILE 50 HD11 ILE 50 3.700 -7.558 -4.861 429 HD12 ILE 50 HD12 ILE 50 1.950 -7.488 -4.652 430 HD13 ILE 50 HD13 ILE 50 2.676 -6.971 -6.171 431 H ASN 51 H ASN 51 5.614 -12.896 -6.273 432 HA ASN 51 HA ASN 51 7.896 -12.221 -7.620 433 HB2 ASN 51 HB2 ASN 51 8.332 -14.694 -7.805 434 HB3 ASN 51 HB1 ASN 51 7.889 -14.144 -6.191 435 HD21 ASN 51 HD21 ASN 51 6.849 -15.788 -5.301 436 HD22 ASN 51 HD22 ASN 51 5.509 -16.626 -5.995 437 H GLU 52 H GLU 52 4.908 -13.406 -8.954 438 HA GLU 52 HA GLU 52 6.113 -13.696 -11.604 439 HB2 GLU 52 HB2 GLU 52 3.557 -14.616 -10.355 440 HB3 GLU 52 HB1 GLU 52 3.632 -14.428 -12.100 441 HG2 GLU 52 HG2 GLU 52 5.401 -16.185 -10.416 442 HG3 GLU 52 HG1 GLU 52 4.091 -16.712 -11.472 443 HA PRO 53 HA PRO 53 4.825 -9.686 -12.958 444 HB2 PRO 53 HB2 PRO 53 4.212 -11.019 -15.542 445 HB3 PRO 53 HB1 PRO 53 5.264 -9.638 -15.207 446 HG2 PRO 53 HG2 PRO 53 6.292 -12.034 -15.763 447 HG3 PRO 53 HG1 PRO 53 7.035 -10.979 -14.546 448 HD2 PRO 53 HD2 PRO 53 5.316 -13.395 -14.168 449 HD3 PRO 53 HD1 PRO 53 6.729 -12.858 -13.238 450 H SER 54 H SER 54 2.785 -12.490 -13.326 451 HA SER 54 HA SER 54 0.466 -11.303 -14.330 452 HB2 SER 54 HB2 SER 54 1.089 -13.774 -12.802 453 HB3 SER 54 HB1 SER 54 -0.593 -13.243 -12.805 454 HG SER 54 HG SER 54 -0.626 -13.392 -15.017 455 H ARG 55 H ARG 55 1.703 -11.477 -11.036 456 HA ARG 55 HA ARG 55 -0.695 -10.249 -9.955 457 HB2 ARG 55 HB2 ARG 55 1.827 -11.355 -8.781 458 HB3 ARG 55 HB1 ARG 55 0.812 -10.289 -7.818 459 HG2 ARG 55 HG2 ARG 55 -0.953 -11.793 -7.777 460 HG3 ARG 55 HG1 ARG 55 -0.358 -12.677 -9.186 461 HD2 ARG 55 HD2 ARG 55 1.627 -13.338 -7.761 462 HD3 ARG 55 HD1 ARG 55 0.736 -12.696 -6.383 463 HE ARG 55 HE ARG 55 -0.521 -14.596 -6.388 464 HH11 ARG 55 HH11 ARG 55 0.935 -14.242 -9.539 465 HH12 ARG 55 HH12 ARG 55 0.344 -15.761 -10.121 466 HH21 ARG 55 HH21 ARG 55 -1.301 -16.595 -7.152 467 HH22 ARG 55 HH22 ARG 55 -0.927 -17.098 -8.766 468 H LEU 56 H LEU 56 1.370 -8.872 -11.816 469 HA LEU 56 HA LEU 56 2.745 -6.879 -10.491 470 HB2 LEU 56 HB2 LEU 56 1.545 -7.124 -13.202 471 HB3 LEU 56 HB1 LEU 56 2.103 -5.542 -12.692 472 HG LEU 56 HG LEU 56 3.845 -8.004 -12.676 473 HD11 LEU 56 HD11 LEU 56 3.507 -5.876 -14.778 474 HD12 LEU 56 HD12 LEU 56 3.250 -7.611 -14.952 475 HD13 LEU 56 HD13 LEU 56 4.880 -6.981 -14.706 476 HD21 LEU 56 HD21 LEU 56 4.262 -5.823 -11.255 477 HD22 LEU 56 HD22 LEU 56 4.854 -5.210 -12.799 478 HD23 LEU 56 HD23 LEU 56 5.584 -6.647 -12.081 479 HA PRO 57 HA PRO 57 -1.473 -4.198 -11.150 480 HB2 PRO 57 HB2 PRO 57 -3.057 -6.514 -10.102 481 HB3 PRO 57 HB1 PRO 57 -3.568 -5.194 -11.161 482 HG2 PRO 57 HG2 PRO 57 -3.004 -7.590 -12.170 483 HG3 PRO 57 HG1 PRO 57 -2.529 -6.110 -13.025 484 HD2 PRO 57 HD2 PRO 57 -0.856 -8.049 -11.526 485 HD3 PRO 57 HD1 PRO 57 -0.424 -7.005 -12.893 486 H LEU 58 H LEU 58 -0.642 -6.568 -8.675 487 HA LEU 58 HA LEU 58 -1.882 -5.394 -6.472 488 HB2 LEU 58 HB2 LEU 58 -0.025 -7.474 -6.933 489 HB3 LEU 58 HB1 LEU 58 0.670 -6.437 -5.701 490 HG LEU 58 HG LEU 58 -2.029 -7.784 -5.574 491 HD11 LEU 58 HD11 LEU 58 0.108 -9.155 -5.266 492 HD12 LEU 58 HD12 LEU 58 -1.113 -9.243 -3.997 493 HD13 LEU 58 HD13 LEU 58 0.323 -8.245 -3.772 494 HD21 LEU 58 HD21 LEU 58 -1.662 -5.441 -4.482 495 HD22 LEU 58 HD22 LEU 58 -0.743 -6.358 -3.288 496 HD23 LEU 58 HD23 LEU 58 -2.445 -6.731 -3.569 497 H PHE 59 H PHE 59 1.109 -4.566 -8.098 498 HA PHE 59 HA PHE 59 2.075 -2.802 -6.083 499 HB2 PHE 59 HB2 PHE 59 2.733 -2.882 -9.035 500 HB3 PHE 59 HB1 PHE 59 3.651 -2.030 -7.801 501 HD1 PHE 59 HD2 PHE 59 3.631 -4.084 -5.643 502 HD2 PHE 59 HD1 PHE 59 4.267 -4.434 -9.836 503 HE1 PHE 59 HE2 PHE 59 4.993 -6.099 -5.266 504 HE2 PHE 59 HE1 PHE 59 5.628 -6.450 -9.467 505 HZ PHE 59 HZ PHE 59 5.993 -7.285 -7.178 506 H ASP 60 H ASP 60 0.323 -2.299 -9.131 507 HA ASP 60 HA ASP 60 0.158 0.539 -8.786 508 HB2 ASP 60 HB2 ASP 60 -1.494 -1.210 -10.616 509 HB3 ASP 60 HB1 ASP 60 -1.227 0.525 -10.766 510 H ALA 61 H ALA 61 -1.762 -2.195 -7.879 511 HA ALA 61 HA ALA 61 -4.214 -0.861 -7.430 512 HB1 ALA 61 HB1 ALA 61 -4.526 -2.920 -5.849 513 HB2 ALA 61 HB2 ALA 61 -3.037 -3.475 -6.616 514 HB3 ALA 61 HB3 ALA 61 -4.463 -3.138 -7.598 515 H ILE 62 H ILE 62 -1.624 -1.840 -5.204 516 HA ILE 62 HA ILE 62 -2.830 -0.606 -2.929 517 HB ILE 62 HB ILE 62 0.048 -1.460 -3.194 518 HG12 ILE 62 HG12 ILE 62 -2.170 -3.191 -2.123 519 HG13 ILE 62 HG11 ILE 62 -1.755 -3.205 -3.833 520 HG21 ILE 62 HG21 ILE 62 -0.143 -0.293 -1.203 521 HG22 ILE 62 HG22 ILE 62 -0.414 -1.962 -0.701 522 HG23 ILE 62 HG23 ILE 62 -1.783 -0.870 -0.903 523 HD11 ILE 62 HD11 ILE 62 0.093 -4.412 -3.493 524 HD12 ILE 62 HD12 ILE 62 -0.662 -4.818 -1.951 525 HD13 ILE 62 HD13 ILE 62 0.530 -3.521 -2.036 526 H ARG 63 H ARG 63 -0.374 0.369 -5.241 527 HA ARG 63 HA ARG 63 0.931 2.404 -4.031 528 HB2 ARG 63 HB2 ARG 63 1.239 1.648 -6.383 529 HB3 ARG 63 HB1 ARG 63 -0.176 2.589 -6.830 530 HG2 ARG 63 HG2 ARG 63 1.013 4.610 -5.923 531 HG3 ARG 63 HG1 ARG 63 2.454 3.602 -5.792 532 HD2 ARG 63 HD2 ARG 63 1.913 3.052 -8.298 533 HD3 ARG 63 HD1 ARG 63 1.024 4.571 -8.223 534 HE ARG 63 HE ARG 63 3.562 5.018 -7.162 535 HH11 ARG 63 HH11 ARG 63 2.110 4.191 -10.226 536 HH12 ARG 63 HH12 ARG 63 3.359 4.940 -11.161 537 HH21 ARG 63 HH21 ARG 63 5.207 6.004 -8.393 538 HH22 ARG 63 HH22 ARG 63 5.118 5.967 -10.122 539 HA PRO 64 HA PRO 64 -2.579 5.637 -5.176 540 HB2 PRO 64 HB2 PRO 64 -5.103 4.491 -5.134 541 HB3 PRO 64 HB1 PRO 64 -4.193 4.908 -6.590 542 HG2 PRO 64 HG2 PRO 64 -4.471 2.271 -5.216 543 HG3 PRO 64 HG1 PRO 64 -4.447 2.636 -6.951 544 HD2 PRO 64 HD2 PRO 64 -2.304 1.622 -5.722 545 HD3 PRO 64 HD1 PRO 64 -2.134 2.841 -7.001 546 H LEU 65 H LEU 65 -3.936 2.941 -3.236 547 HA LEU 65 HA LEU 65 -5.015 4.672 -1.276 548 HB2 LEU 65 HB2 LEU 65 -5.117 2.525 0.115 549 HB3 LEU 65 HB1 LEU 65 -6.062 2.616 -1.357 550 HG LEU 65 HG LEU 65 -3.547 1.499 -2.041 551 HD11 LEU 65 HD11 LEU 65 -4.067 -0.638 -0.538 552 HD12 LEU 65 HD12 LEU 65 -4.596 0.622 0.578 553 HD13 LEU 65 HD13 LEU 65 -2.946 0.628 -0.041 554 HD21 LEU 65 HD21 LEU 65 -5.702 1.123 -3.161 555 HD22 LEU 65 HD22 LEU 65 -6.251 0.201 -1.761 556 HD23 LEU 65 HD23 LEU 65 -4.899 -0.388 -2.730 557 H ILE 66 H ILE 66 -1.810 3.795 -1.845 558 HA ILE 66 HA ILE 66 -0.987 3.896 0.928 559 HB ILE 66 HB ILE 66 0.102 2.673 -1.246 560 HG12 ILE 66 HG12 ILE 66 2.036 3.425 0.869 561 HG13 ILE 66 HG11 ILE 66 0.532 2.685 1.410 562 HG21 ILE 66 HG21 ILE 66 2.078 4.859 -0.724 563 HG22 ILE 66 HG22 ILE 66 0.853 5.037 -1.980 564 HG23 ILE 66 HG23 ILE 66 2.008 3.708 -2.059 565 HD11 ILE 66 HD11 ILE 66 1.649 0.774 1.099 566 HD12 ILE 66 HD12 ILE 66 2.815 1.514 0.000 567 HD13 ILE 66 HD13 ILE 66 1.232 1.015 -0.598 568 HA PRO 67 HA PRO 67 -0.423 8.245 1.576 569 HB2 PRO 67 HB2 PRO 67 2.363 7.423 2.293 570 HB3 PRO 67 HB1 PRO 67 1.250 8.493 3.153 571 HG2 PRO 67 HG2 PRO 67 1.628 5.989 3.974 572 HG3 PRO 67 HG1 PRO 67 0.019 6.733 4.026 573 HD2 PRO 67 HD2 PRO 67 1.085 4.658 2.192 574 HD3 PRO 67 HD1 PRO 67 -0.581 4.941 2.733 575 H LEU 68 H LEU 68 0.065 9.852 0.439 576 HA LEU 68 HA LEU 68 0.998 9.780 -2.121 577 HB2 LEU 68 HB2 LEU 68 0.390 11.722 -0.053 578 HB3 LEU 68 HB1 LEU 68 1.587 12.312 -1.189 579 HG LEU 68 HG LEU 68 -1.177 11.317 -1.841 580 HD11 LEU 68 HD11 LEU 68 -1.351 13.723 -2.711 581 HD12 LEU 68 HD12 LEU 68 0.074 14.040 -1.721 582 HD13 LEU 68 HD13 LEU 68 -1.414 13.468 -0.967 583 HD21 LEU 68 HD21 LEU 68 1.115 12.121 -3.602 584 HD22 LEU 68 HD22 LEU 68 -0.558 12.236 -4.149 585 HD23 LEU 68 HD23 LEU 68 0.113 10.673 -3.684 586 H LYS 69 H LYS 69 2.834 10.499 0.840 587 HA LYS 69 HA LYS 69 5.283 11.011 -0.543 588 HB2 LYS 69 HB2 LYS 69 6.314 10.906 1.702 589 HB3 LYS 69 HB1 LYS 69 4.913 11.968 1.662 590 HG2 LYS 69 HG2 LYS 69 3.709 9.712 2.431 591 HG3 LYS 69 HG1 LYS 69 5.321 9.417 3.084 592 HD2 LYS 69 HD2 LYS 69 4.262 12.113 3.575 593 HD3 LYS 69 HD1 LYS 69 3.371 10.810 4.364 594 HE2 LYS 69 HE2 LYS 69 5.402 10.008 5.409 595 HE3 LYS 69 HE1 LYS 69 6.352 11.220 4.552 596 HZ1 LYS 69 HZ1 LYS 69 4.944 12.918 5.723 597 HZ2 LYS 69 HZ2 LYS 69 6.000 12.045 6.714 598 HZ3 LYS 69 HZ3 LYS 69 4.354 11.663 6.692 599 H HIS 70 H HIS 70 3.792 8.235 1.005 600 HA HIS 70 HA HIS 70 6.030 6.507 0.821 601 HB2 HIS 70 HB2 HIS 70 3.072 6.001 1.126 602 HB3 HIS 70 HB1 HIS 70 4.249 4.693 1.052 603 HD1 HIS 70 HD1 HIS 70 3.145 4.322 3.549 604 HD2 HIS 70 HD2 HIS 70 5.734 7.529 3.043 605 HE1 HIS 70 HE1 HIS 70 3.879 4.963 5.867 606 HE2 HIS 70 HE2 HIS 70 5.357 6.978 5.542 607 H GLN 71 H GLN 71 3.600 7.536 -1.433 608 HA GLN 71 HA GLN 71 3.731 5.425 -3.282 609 HB2 GLN 71 HB2 GLN 71 2.985 8.321 -3.454 610 HB3 GLN 71 HB1 GLN 71 3.162 7.393 -4.936 611 HG2 GLN 71 HG2 GLN 71 1.571 5.712 -3.723 612 HG3 GLN 71 HG1 GLN 71 1.147 7.127 -2.761 613 HE21 GLN 71 HE21 GLN 71 -0.977 6.695 -3.738 614 HE22 GLN 71 HE22 GLN 71 -1.327 7.390 -5.281 615 H VAL 72 H VAL 72 5.515 8.499 -3.141 616 HA VAL 72 HA VAL 72 7.161 8.044 -5.372 617 HB VAL 72 HB VAL 72 8.091 9.547 -2.944 618 HG11 VAL 72 HG11 VAL 72 9.797 9.766 -4.406 619 HG12 VAL 72 HG12 VAL 72 8.778 11.041 -5.072 620 HG13 VAL 72 HG13 VAL 72 8.780 9.438 -5.809 621 HG21 VAL 72 HG21 VAL 72 5.811 10.167 -4.713 622 HG22 VAL 72 HG22 VAL 72 6.923 11.496 -4.387 623 HG23 VAL 72 HG23 VAL 72 6.126 10.664 -3.051 624 H GLU 73 H GLU 73 7.788 7.545 -1.894 625 HA GLU 73 HA GLU 73 10.320 6.370 -2.185 626 HB2 GLU 73 HB2 GLU 73 8.958 7.136 -0.046 627 HB3 GLU 73 HB1 GLU 73 8.475 5.446 -0.017 628 HG2 GLU 73 HG2 GLU 73 11.091 5.092 -0.273 629 HG3 GLU 73 HG1 GLU 73 11.116 6.677 0.498 630 H TYR 74 H TYR 74 7.090 5.075 -2.458 631 HA TYR 74 HA TYR 74 7.723 2.332 -2.446 632 HB2 TYR 74 HB2 TYR 74 5.400 3.288 -2.310 633 HB3 TYR 74 HB1 TYR 74 5.515 3.678 -4.022 634 HD1 TYR 74 HD2 TYR 74 5.944 0.749 -1.740 635 HD2 TYR 74 HD1 TYR 74 4.632 2.171 -5.529 636 HE1 TYR 74 HE2 TYR 74 5.126 -1.502 -2.294 637 HE2 TYR 74 HE1 TYR 74 3.809 -0.077 -6.093 638 HH TYR 74 HH TYR 74 3.114 -2.332 -4.107 639 H ASP 75 H ASP 75 7.875 4.856 -4.852 640 HA ASP 75 HA ASP 75 8.384 3.132 -7.077 641 HB2 ASP 75 HB2 ASP 75 7.479 5.454 -7.285 642 HB3 ASP 75 HB1 ASP 75 9.050 6.070 -6.779 643 H GLN 76 H GLN 76 10.369 4.975 -4.800 644 HA GLN 76 HA GLN 76 12.855 4.476 -6.057 645 HB2 GLN 76 HB2 GLN 76 12.352 5.008 -3.126 646 HB3 GLN 76 HB1 GLN 76 13.859 5.254 -3.998 647 HG2 GLN 76 HG2 GLN 76 12.059 6.761 -5.428 648 HG3 GLN 76 HG1 GLN 76 11.534 6.979 -3.759 649 HE21 GLN 76 HE21 GLN 76 12.481 8.545 -2.675 650 HE22 GLN 76 HE22 GLN 76 14.021 9.245 -3.029 651 H LEU 77 H LEU 77 10.860 2.575 -3.944 652 HA LEU 77 HA LEU 77 13.003 0.737 -3.278 653 HB2 LEU 77 HB2 LEU 77 10.055 0.566 -2.662 654 HB3 LEU 77 HB1 LEU 77 11.313 -0.447 -1.979 655 HG LEU 77 HG LEU 77 11.486 2.510 -1.601 656 HD11 LEU 77 HD11 LEU 77 9.133 1.520 -1.037 657 HD12 LEU 77 HD12 LEU 77 9.939 2.609 0.091 658 HD13 LEU 77 HD13 LEU 77 9.971 0.868 0.370 659 HD21 LEU 77 HD21 LEU 77 12.877 1.994 0.133 660 HD22 LEU 77 HD22 LEU 77 13.165 0.596 -0.903 661 HD23 LEU 77 HD23 LEU 77 12.068 0.462 0.472 662 H THR 78 H THR 78 10.327 0.933 -5.515 663 HA THR 78 HA THR 78 9.843 -1.659 -6.190 664 HB THR 78 HB THR 78 10.112 -0.141 -8.622 665 HG1 THR 78 HG1 THR 78 9.472 1.757 -8.031 666 HG21 THR 78 HG21 THR 78 8.066 -0.907 -9.013 667 HG22 THR 78 HG22 THR 78 7.449 -0.315 -7.470 668 HG23 THR 78 HG23 THR 78 8.284 -1.867 -7.548 669 HA PRO 79 HA PRO 79 13.604 -1.882 -9.142 670 HB2 PRO 79 HB2 PRO 79 15.330 0.180 -9.257 671 HB3 PRO 79 HB1 PRO 79 13.836 0.154 -10.201 672 HG2 PRO 79 HG2 PRO 79 14.440 1.582 -7.646 673 HG3 PRO 79 HG1 PRO 79 13.532 2.149 -9.058 674 HD2 PRO 79 HD2 PRO 79 12.366 1.194 -6.758 675 HD3 PRO 79 HD1 PRO 79 11.590 1.154 -8.352 676 H ARG 80 H ARG 80 15.837 -2.513 -8.872 677 HA ARG 80 HA ARG 80 16.469 -3.298 -6.245 678 HB2 ARG 80 HB2 ARG 80 18.123 -3.229 -8.770 679 HB3 ARG 80 HB1 ARG 80 18.705 -3.915 -7.259 680 HG2 ARG 80 HG2 ARG 80 17.425 -5.764 -7.446 681 HG3 ARG 80 HG1 ARG 80 16.092 -4.897 -8.210 682 HD2 ARG 80 HD2 ARG 80 18.688 -5.452 -9.621 683 HD3 ARG 80 HD1 ARG 80 17.335 -6.581 -9.647 684 HE ARG 80 HE ARG 80 17.559 -4.109 -11.093 685 HH11 ARG 80 HH11 ARG 80 15.336 -6.438 -9.746 686 HH12 ARG 80 HH12 ARG 80 14.051 -6.023 -10.829 687 HH21 ARG 80 HH21 ARG 80 15.869 -3.563 -12.517 688 HH22 ARG 80 HH22 ARG 80 14.352 -4.390 -12.403 689 H1 ASP 100 H ASP 100 -0.663 13.382 6.805 690 HA ASP 100 HA ASP 100 -3.383 12.965 7.798 691 HB2 ASP 100 HB2 ASP 100 -4.279 14.275 5.871 692 HB3 ASP 100 HB1 ASP 100 -3.397 15.255 7.039 693 H ASP 101 H ASP 101 -1.354 11.107 6.958 694 HA ASP 101 HA ASP 101 -2.635 10.015 4.537 695 HB2 ASP 101 HB2 ASP 101 0.219 9.567 5.435 696 HB3 ASP 101 HB1 ASP 101 -0.519 8.970 3.952 697 H ASP 102 H ASP 102 -1.937 7.510 4.446 698 HA ASP 102 HA ASP 102 -2.369 5.431 5.263 699 HB2 ASP 102 HB2 ASP 102 -1.449 6.698 7.853 700 HB3 ASP 102 HB1 ASP 102 -1.675 4.969 7.605 701 H ARG 103 H ARG 103 -4.481 7.491 5.246 702 HA ARG 103 HA ARG 103 -6.139 6.806 7.535 703 HB2 ARG 103 HB2 ARG 103 -6.076 9.132 6.710 704 HB3 ARG 103 HB1 ARG 103 -6.729 8.593 5.169 705 HG2 ARG 103 HG2 ARG 103 -8.828 8.392 5.971 706 HG3 ARG 103 HG1 ARG 103 -8.286 7.864 7.565 707 HD2 ARG 103 HD2 ARG 103 -8.906 9.914 8.230 708 HD3 ARG 103 HD1 ARG 103 -7.387 10.436 7.500 709 HE ARG 103 HE ARG 103 -9.125 10.523 5.430 710 HH11 ARG 103 HH11 ARG 103 -9.203 11.844 8.660 711 HH12 ARG 103 HH12 ARG 103 -10.164 13.213 8.211 712 HH21 ARG 103 HH21 ARG 103 -10.389 12.323 4.839 713 HH22 ARG 103 HH22 ARG 103 -10.838 13.485 6.042 714 H TYR 104 H TYR 104 -5.935 6.184 4.088 715 HA TYR 104 HA TYR 104 -8.471 4.892 3.881 716 HB2 TYR 104 HB2 TYR 104 -6.037 4.941 2.099 717 HB3 TYR 104 HB1 TYR 104 -7.489 4.031 1.695 718 HD1 TYR 104 HD2 TYR 104 -6.445 7.482 2.679 719 HD2 TYR 104 HD1 TYR 104 -9.123 5.064 0.425 720 HE1 TYR 104 HE2 TYR 104 -7.430 9.505 1.688 721 HE2 TYR 104 HE1 TYR 104 -10.115 7.080 -0.574 722 HH TYR 104 HH TYR 104 -10.210 9.752 0.385 723 H LEU 105 H LEU 105 -5.191 3.853 4.556 724 HA LEU 105 HA LEU 105 -5.471 1.103 4.208 725 HB2 LEU 105 HB2 LEU 105 -3.495 2.817 5.119 726 HB3 LEU 105 HB1 LEU 105 -3.832 1.806 6.513 727 HG LEU 105 HG LEU 105 -3.447 -0.203 5.080 728 HD11 LEU 105 HD11 LEU 105 -3.782 1.436 2.975 729 HD12 LEU 105 HD12 LEU 105 -2.913 -0.096 2.894 730 HD13 LEU 105 HD13 LEU 105 -2.021 1.414 3.071 731 HD21 LEU 105 HD21 LEU 105 -1.702 0.718 6.544 732 HD22 LEU 105 HD22 LEU 105 -1.145 1.741 5.220 733 HD23 LEU 105 HD23 LEU 105 -1.028 -0.014 5.087 734 H ARG 106 H ARG 106 -5.955 3.046 7.149 735 HA ARG 106 HA ARG 106 -6.706 0.975 8.856 736 HB2 ARG 106 HB2 ARG 106 -6.392 3.680 9.104 737 HB3 ARG 106 HB1 ARG 106 -8.134 3.514 9.267 738 HG2 ARG 106 HG2 ARG 106 -7.965 2.251 11.198 739 HG3 ARG 106 HG1 ARG 106 -6.301 1.772 10.857 740 HD2 ARG 106 HD2 ARG 106 -5.430 3.686 11.710 741 HD3 ARG 106 HD1 ARG 106 -6.803 4.665 11.196 742 HE ARG 106 HE ARG 106 -7.688 4.388 13.274 743 HH11 ARG 106 HH11 ARG 106 -5.445 1.777 12.695 744 HH12 ARG 106 HH12 ARG 106 -5.606 1.119 14.287 745 HH21 ARG 106 HH21 ARG 106 -7.902 3.522 15.370 746 HH22 ARG 106 HH22 ARG 106 -7.002 2.109 15.806 747 H GLU 107 H GLU 107 -8.560 2.783 6.488 748 HA GLU 107 HA GLU 107 -11.140 2.023 7.278 749 HB2 GLU 107 HB2 GLU 107 -9.889 3.196 4.908 750 HB3 GLU 107 HB1 GLU 107 -11.289 2.204 4.523 751 HG2 GLU 107 HG2 GLU 107 -12.501 4.011 4.955 752 HG3 GLU 107 HG1 GLU 107 -12.164 3.693 6.657 753 H ALA 108 H ALA 108 -9.112 0.611 4.697 754 HA ALA 108 HA ALA 108 -10.807 -1.624 4.282 755 HB1 ALA 108 HB1 ALA 108 -7.951 -1.937 3.621 756 HB2 ALA 108 HB2 ALA 108 -8.761 -0.551 2.893 757 HB3 ALA 108 HB3 ALA 108 -9.383 -2.179 2.621 758 H ILE 109 H ILE 109 -7.982 -1.058 6.290 759 HA ILE 109 HA ILE 109 -7.437 -3.680 7.083 760 HB ILE 109 HB ILE 109 -6.984 -1.028 8.438 761 HG12 ILE 109 HG12 ILE 109 -4.972 -3.010 7.381 762 HG13 ILE 109 HG11 ILE 109 -5.702 -1.774 6.361 763 HG21 ILE 109 HG21 ILE 109 -7.222 -2.590 10.247 764 HG22 ILE 109 HG22 ILE 109 -5.509 -2.223 10.036 765 HG23 ILE 109 HG23 ILE 109 -6.165 -3.749 9.441 766 HD11 ILE 109 HD11 ILE 109 -3.939 -0.550 6.974 767 HD12 ILE 109 HD12 ILE 109 -3.607 -1.554 8.384 768 HD13 ILE 109 HD13 ILE 109 -4.839 -0.295 8.468 769 H GLN 110 H GLN 110 -9.370 -1.203 8.787 770 HA GLN 110 HA GLN 110 -10.278 -2.939 10.811 771 HB2 GLN 110 HB2 GLN 110 -10.782 -0.206 9.966 772 HB3 GLN 110 HB1 GLN 110 -12.254 -0.990 10.518 773 HG2 GLN 110 HG2 GLN 110 -9.799 -1.223 12.178 774 HG3 GLN 110 HG1 GLN 110 -10.692 0.297 12.179 775 HE21 GLN 110 HE21 GLN 110 -10.788 -3.092 12.977 776 HE22 GLN 110 HE22 GLN 110 -12.174 -3.015 14.007 777 H GLU 111 H GLU 111 -11.515 -2.175 7.615 778 HA GLU 111 HA GLU 111 -14.069 -3.252 7.806 779 HB2 GLU 111 HB2 GLU 111 -13.013 -2.030 5.826 780 HB3 GLU 111 HB1 GLU 111 -12.303 -3.575 5.382 781 HG2 GLU 111 HG2 GLU 111 -14.155 -3.798 4.150 782 HG3 GLU 111 HG1 GLU 111 -14.888 -4.288 5.676 783 H TYR 112 H TYR 112 -10.985 -4.819 7.137 784 HA TYR 112 HA TYR 112 -12.088 -7.431 6.836 785 HB2 TYR 112 HB2 TYR 112 -9.890 -6.828 5.889 786 HB3 TYR 112 HB1 TYR 112 -9.257 -6.591 7.515 787 HD1 TYR 112 HD1 TYR 112 -8.859 -8.515 8.986 788 HD2 TYR 112 HD2 TYR 112 -10.189 -9.037 4.978 789 HE1 TYR 112 HE1 TYR 112 -8.216 -10.888 9.087 790 HE2 TYR 112 HE2 TYR 112 -9.551 -11.409 5.070 791 HH TYR 112 HH TYR 112 -7.663 -12.710 7.622 792 H ASP 113 H ASP 113 -10.882 -5.512 9.509 793 HA ASP 113 HA ASP 113 -10.660 -7.540 11.435 794 HB2 ASP 113 HB2 ASP 113 -9.990 -5.022 11.550 795 HB3 ASP 113 HB1 ASP 113 -11.635 -4.782 12.128 796 H ASN 114 H ASN 114 -13.395 -5.841 10.102 797 HA ASN 114 HA ASN 114 -15.250 -6.806 12.092 798 HB2 ASN 114 HB2 ASN 114 -15.457 -4.607 10.810 799 HB3 ASN 114 HB1 ASN 114 -15.951 -5.578 9.428 800 HD21 ASN 114 HD21 ASN 114 -17.687 -3.766 10.238 801 HD22 ASN 114 HD22 ASN 114 -19.012 -4.482 11.083 802 H ILE 115 H ILE 115 -14.240 -7.652 8.831 803 HA ILE 115 HA ILE 115 -16.308 -9.552 8.361 804 HB ILE 115 HB ILE 115 -13.579 -9.364 7.076 805 HG12 ILE 115 HG12 ILE 115 -16.139 -8.385 5.855 806 HG13 ILE 115 HG11 ILE 115 -15.259 -7.362 6.986 807 HG21 ILE 115 HG21 ILE 115 -16.084 -10.713 6.083 808 HG22 ILE 115 HG22 ILE 115 -14.696 -11.544 6.781 809 HG23 ILE 115 HG23 ILE 115 -14.522 -10.657 5.267 810 HD11 ILE 115 HD11 ILE 115 -14.282 -6.634 5.098 811 HD12 ILE 115 HD12 ILE 115 -14.612 -8.129 4.220 812 HD13 ILE 115 HD13 ILE 115 -13.255 -8.047 5.344 813 H ALA 116 H ALA 116 -13.089 -9.715 9.752 814 HA ALA 116 HA ALA 116 -13.433 -12.595 10.198 815 HB1 ALA 116 HB1 ALA 116 -11.401 -12.169 9.052 816 HB2 ALA 116 HB2 ALA 116 -10.971 -12.541 10.722 817 HB3 ALA 116 HB3 ALA 116 -10.969 -10.868 10.163 818 H LYS 117 H LYS 117 -15.016 -11.260 11.837 819 HA LYS 117 HA LYS 117 -13.743 -10.445 14.272 820 HB2 LYS 117 HB2 LYS 117 -16.599 -10.928 13.464 821 HB3 LYS 117 HB1 LYS 117 -16.169 -10.588 15.135 822 HG2 LYS 117 HG2 LYS 117 -15.283 -8.767 12.934 823 HG3 LYS 117 HG1 LYS 117 -16.909 -8.648 13.611 824 HD2 LYS 117 HD2 LYS 117 -15.641 -8.623 15.896 825 HD3 LYS 117 HD1 LYS 117 -14.268 -8.123 14.905 826 HE2 LYS 117 HE2 LYS 117 -15.314 -6.137 15.671 827 HE3 LYS 117 HE1 LYS 117 -15.743 -6.312 13.969 828 HZ1 LYS 117 HZ1 LYS 117 -17.429 -6.450 16.329 829 HZ2 LYS 117 HZ2 LYS 117 -17.775 -7.579 15.118 830 HZ3 LYS 117 HZ3 LYS 117 -17.797 -5.926 14.763 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -15.509 11.274 2.638 2 H2 MET 1 HT2 MET 1 -13.983 10.909 3.333 3 H3 MET 1 HT3 MET 1 -15.259 11.497 4.318 4 HA MET 1 HA MET 1 -15.199 9.265 4.748 5 HB2 MET 1 HB2 MET 1 -17.257 10.001 2.674 6 HB3 MET 1 HB1 MET 1 -17.281 8.440 3.485 7 HG2 MET 1 HG2 MET 1 -17.419 11.115 4.858 8 HG3 MET 1 HG1 MET 1 -18.794 10.066 4.517 9 HE1 MET 1 HE1 MET 1 -18.011 11.433 6.952 10 HE2 MET 1 HE2 MET 1 -16.891 10.676 8.083 11 HE3 MET 1 HE3 MET 1 -18.598 10.240 8.111 12 H ASP 2 H ASP 2 -15.186 7.030 4.001 13 HA ASP 2 HA ASP 2 -14.444 6.446 1.291 14 HB2 ASP 2 HB2 ASP 2 -12.381 6.461 3.476 15 HB3 ASP 2 HB1 ASP 2 -12.232 5.357 2.113 16 H ARG 3 H ARG 3 -15.266 4.519 0.829 17 HA ARG 3 HA ARG 3 -15.198 2.382 2.802 18 HB2 ARG 3 HB2 ARG 3 -17.639 1.873 2.297 19 HB3 ARG 3 HB1 ARG 3 -17.324 3.252 3.341 20 HG2 ARG 3 HG2 ARG 3 -17.369 4.384 0.842 21 HG3 ARG 3 HG1 ARG 3 -18.606 3.131 0.730 22 HD2 ARG 3 HD2 ARG 3 -18.973 4.366 3.224 23 HD3 ARG 3 HD1 ARG 3 -18.697 5.671 2.072 24 HE ARG 3 HE ARG 3 -20.554 3.843 1.002 25 HH11 ARG 3 HH11 ARG 3 -20.286 6.289 3.477 26 HH12 ARG 3 HH12 ARG 3 -21.971 6.689 3.441 27 HH21 ARG 3 HH21 ARG 3 -22.771 4.368 0.954 28 HH22 ARG 3 HH22 ARG 3 -23.381 5.597 2.009 29 H LYS 4 H LYS 4 -16.257 3.345 -0.448 30 HA LYS 4 HA LYS 4 -16.273 0.753 -1.550 31 HB2 LYS 4 HB2 LYS 4 -16.225 1.900 -3.737 32 HB3 LYS 4 HB1 LYS 4 -17.418 2.594 -2.647 33 HG2 LYS 4 HG2 LYS 4 -15.568 4.293 -2.066 34 HG3 LYS 4 HG1 LYS 4 -14.810 3.734 -3.559 35 HD2 LYS 4 HD2 LYS 4 -17.686 4.552 -3.554 36 HD3 LYS 4 HD1 LYS 4 -16.420 5.779 -3.614 37 HE2 LYS 4 HE2 LYS 4 -16.091 3.533 -5.485 38 HE3 LYS 4 HE1 LYS 4 -17.482 4.570 -5.792 39 HZ1 LYS 4 HZ1 LYS 4 -15.045 5.083 -6.708 40 HZ2 LYS 4 HZ2 LYS 4 -14.973 5.931 -5.247 41 HZ3 LYS 4 HZ3 LYS 4 -16.180 6.294 -6.377 42 H VAL 5 H VAL 5 -13.718 3.090 -1.057 43 HA VAL 5 HA VAL 5 -11.770 2.157 -2.788 44 HB VAL 5 HB VAL 5 -11.288 3.088 0.049 45 HG11 VAL 5 HG11 VAL 5 -9.374 3.754 -2.074 46 HG12 VAL 5 HG12 VAL 5 -9.474 2.039 -1.677 47 HG13 VAL 5 HG13 VAL 5 -9.094 3.215 -0.419 48 HG21 VAL 5 HG21 VAL 5 -10.917 5.040 -2.080 49 HG22 VAL 5 HG22 VAL 5 -11.764 5.190 -0.541 50 HG23 VAL 5 HG23 VAL 5 -12.586 4.490 -1.934 51 H ALA 6 H ALA 6 -12.904 0.844 0.249 52 HA ALA 6 HA ALA 6 -10.832 -1.098 0.538 53 HB1 ALA 6 HB1 ALA 6 -12.607 -2.141 2.120 54 HB2 ALA 6 HB2 ALA 6 -13.480 -0.634 1.845 55 HB3 ALA 6 HB3 ALA 6 -11.864 -0.601 2.550 56 H ARG 7 H ARG 7 -14.093 -1.094 -0.818 57 HA ARG 7 HA ARG 7 -14.196 -3.879 -1.356 58 HB2 ARG 7 HB2 ARG 7 -15.778 -1.487 -2.138 59 HB3 ARG 7 HB1 ARG 7 -15.927 -2.910 -3.159 60 HG2 ARG 7 HG2 ARG 7 -16.302 -4.120 -0.855 61 HG3 ARG 7 HG1 ARG 7 -16.767 -2.499 -0.338 62 HD2 ARG 7 HD2 ARG 7 -17.912 -3.476 -2.888 63 HD3 ARG 7 HD1 ARG 7 -18.487 -4.247 -1.412 64 HE ARG 7 HE ARG 7 -19.515 -2.270 -0.794 65 HH11 ARG 7 HH11 ARG 7 -17.546 -1.753 -3.632 66 HH12 ARG 7 HH12 ARG 7 -18.233 -0.202 -3.976 67 HH21 ARG 7 HH21 ARG 7 -20.413 -0.228 -1.245 68 HH22 ARG 7 HH22 ARG 7 -19.857 0.665 -2.622 69 H GLU 8 H GLU 8 -13.143 -1.088 -3.225 70 HA GLU 8 HA GLU 8 -12.708 -2.563 -5.630 71 HB2 GLU 8 HB2 GLU 8 -11.924 0.174 -4.670 72 HB3 GLU 8 HB1 GLU 8 -11.253 -0.471 -6.161 73 HG2 GLU 8 HG2 GLU 8 -14.204 -0.505 -5.764 74 HG3 GLU 8 HG1 GLU 8 -13.404 1.008 -6.187 75 H PHE 9 H PHE 9 -10.743 -1.639 -2.868 76 HA PHE 9 HA PHE 9 -8.259 -2.489 -3.957 77 HB2 PHE 9 HB2 PHE 9 -8.393 -0.916 -2.067 78 HB3 PHE 9 HB1 PHE 9 -9.090 -2.182 -1.062 79 HD1 PHE 9 HD1 PHE 9 -6.251 -2.375 -3.452 80 HD2 PHE 9 HD2 PHE 9 -7.519 -2.539 0.606 81 HE1 PHE 9 HE1 PHE 9 -3.993 -3.080 -2.779 82 HE2 PHE 9 HE2 PHE 9 -5.263 -3.243 1.288 83 HZ PHE 9 HZ PHE 9 -3.496 -3.513 -0.406 84 H ARG 10 H ARG 10 -10.682 -4.003 -1.867 85 HA ARG 10 HA ARG 10 -9.230 -6.447 -1.576 86 HB2 ARG 10 HB2 ARG 10 -11.396 -5.306 -0.308 87 HB3 ARG 10 HB1 ARG 10 -12.131 -6.622 -1.211 88 HG2 ARG 10 HG2 ARG 10 -9.678 -7.240 0.330 89 HG3 ARG 10 HG1 ARG 10 -11.159 -6.931 1.239 90 HD2 ARG 10 HD2 ARG 10 -11.660 -8.673 -1.009 91 HD3 ARG 10 HD1 ARG 10 -10.388 -9.322 0.024 92 HE ARG 10 HE ARG 10 -12.407 -8.543 1.726 93 HH11 ARG 10 HH11 ARG 10 -12.075 -10.769 -0.944 94 HH12 ARG 10 HH12 ARG 10 -13.280 -11.859 -0.346 95 HH21 ARG 10 HH21 ARG 10 -13.991 -9.977 2.513 96 HH22 ARG 10 HH22 ARG 10 -14.367 -11.410 1.615 97 H HIS 11 H HIS 11 -11.919 -5.362 -3.630 98 HA HIS 11 HA HIS 11 -12.429 -7.837 -4.861 99 HB2 HIS 11 HB2 HIS 11 -13.900 -5.810 -4.996 100 HB3 HIS 11 HB1 HIS 11 -12.747 -5.106 -6.123 101 HD1 HIS 11 HD1 HIS 11 -15.305 -5.281 -7.399 102 HD2 HIS 11 HD2 HIS 11 -12.880 -8.647 -7.163 103 HE1 HIS 11 HE1 HIS 11 -16.122 -6.826 -9.207 104 HE2 HIS 11 HE2 HIS 11 -14.698 -8.894 -8.985 105 H LYS 12 H LYS 12 -10.260 -5.182 -5.784 106 HA LYS 12 HA LYS 12 -9.346 -6.265 -8.200 107 HB2 LYS 12 HB2 LYS 12 -8.416 -4.204 -6.298 108 HB3 LYS 12 HB1 LYS 12 -7.167 -4.901 -7.321 109 HG2 LYS 12 HG2 LYS 12 -9.589 -4.160 -8.774 110 HG3 LYS 12 HG1 LYS 12 -8.784 -2.802 -7.985 111 HD2 LYS 12 HD2 LYS 12 -6.785 -4.408 -9.208 112 HD3 LYS 12 HD1 LYS 12 -8.067 -4.150 -10.390 113 HE2 LYS 12 HE2 LYS 12 -6.205 -2.427 -10.334 114 HE3 LYS 12 HE1 LYS 12 -7.854 -1.811 -10.269 115 HZ1 LYS 12 HZ1 LYS 12 -5.949 -1.050 -8.592 116 HZ2 LYS 12 HZ2 LYS 12 -6.585 -2.346 -7.710 117 HZ3 LYS 12 HZ3 LYS 12 -7.588 -1.068 -8.174 118 H VAL 13 H VAL 13 -7.898 -6.438 -4.951 119 HA VAL 13 HA VAL 13 -5.732 -8.058 -5.544 120 HB VAL 13 HB VAL 13 -7.364 -8.135 -3.001 121 HG11 VAL 13 HG11 VAL 13 -4.674 -9.184 -3.759 122 HG12 VAL 13 HG12 VAL 13 -5.946 -9.941 -2.802 123 HG13 VAL 13 HG13 VAL 13 -4.968 -8.651 -2.104 124 HG21 VAL 13 HG21 VAL 13 -6.205 -5.921 -4.039 125 HG22 VAL 13 HG22 VAL 13 -4.869 -6.581 -3.095 126 HG23 VAL 13 HG23 VAL 13 -6.407 -6.217 -2.312 127 H ASP 14 H ASP 14 -9.084 -8.921 -4.934 128 HA ASP 14 HA ASP 14 -8.630 -11.736 -4.867 129 HB2 ASP 14 HB2 ASP 14 -10.618 -10.585 -3.858 130 HB3 ASP 14 HB1 ASP 14 -11.214 -10.296 -5.489 131 H PHE 15 H PHE 15 -9.148 -9.390 -7.388 132 HA PHE 15 HA PHE 15 -9.948 -11.211 -9.421 133 HB2 PHE 15 HB2 PHE 15 -10.123 -8.603 -9.327 134 HB3 PHE 15 HB1 PHE 15 -8.499 -8.649 -10.007 135 HD1 PHE 15 HD2 PHE 15 -8.126 -9.768 -12.206 136 HD2 PHE 15 HD1 PHE 15 -12.019 -9.015 -10.659 137 HE1 PHE 15 HE2 PHE 15 -9.075 -10.064 -14.457 138 HE2 PHE 15 HE1 PHE 15 -12.975 -9.311 -12.907 139 HZ PHE 15 HZ PHE 15 -11.501 -9.836 -14.810 140 H LEU 16 H LEU 16 -6.886 -10.064 -8.206 141 HA LEU 16 HA LEU 16 -5.402 -11.403 -10.323 142 HB2 LEU 16 HB2 LEU 16 -4.024 -10.189 -7.992 143 HB3 LEU 16 HB1 LEU 16 -3.576 -10.177 -9.687 144 HG LEU 16 HG LEU 16 -5.949 -8.588 -8.776 145 HD11 LEU 16 HD11 LEU 16 -4.677 -6.780 -8.073 146 HD12 LEU 16 HD12 LEU 16 -3.197 -7.409 -8.798 147 HD13 LEU 16 HD13 LEU 16 -3.851 -8.155 -7.340 148 HD21 LEU 16 HD21 LEU 16 -4.935 -7.105 -10.634 149 HD22 LEU 16 HD22 LEU 16 -5.775 -8.587 -11.091 150 HD23 LEU 16 HD23 LEU 16 -4.011 -8.546 -11.060 151 H ILE 17 H ILE 17 -5.738 -11.545 -6.812 152 HA ILE 17 HA ILE 17 -4.138 -13.934 -6.603 153 HB ILE 17 HB ILE 17 -5.663 -12.286 -4.602 154 HG12 ILE 17 HG12 ILE 17 -3.435 -11.913 -3.671 155 HG13 ILE 17 HG11 ILE 17 -2.741 -12.977 -4.888 156 HG21 ILE 17 HG21 ILE 17 -4.222 -13.964 -3.043 157 HG22 ILE 17 HG22 ILE 17 -4.730 -15.058 -4.330 158 HG23 ILE 17 HG23 ILE 17 -5.937 -14.165 -3.400 159 HD11 ILE 17 HD11 ILE 17 -4.312 -10.620 -5.787 160 HD12 ILE 17 HD12 ILE 17 -2.946 -11.429 -6.554 161 HD13 ILE 17 HD13 ILE 17 -2.682 -10.374 -5.165 162 H GLU 18 H GLU 18 -7.467 -13.227 -5.590 163 HA GLU 18 HA GLU 18 -9.322 -14.474 -5.537 164 HB2 GLU 18 HB2 GLU 18 -9.037 -14.605 -7.951 165 HB3 GLU 18 HB1 GLU 18 -7.963 -15.986 -7.756 166 HG2 GLU 18 HG2 GLU 18 -9.687 -17.377 -7.062 167 HG3 GLU 18 HG1 GLU 18 -10.766 -16.021 -6.740 168 H ASN 19 H ASN 19 -6.552 -15.485 -4.469 169 HA ASN 19 HA ASN 19 -7.489 -18.120 -3.595 170 HB2 ASN 19 HB2 ASN 19 -4.831 -17.032 -4.245 171 HB3 ASN 19 HB1 ASN 19 -4.880 -18.021 -2.789 172 HD21 ASN 19 HD21 ASN 19 -3.457 -18.750 -5.047 173 HD22 ASN 19 HD22 ASN 19 -4.182 -20.156 -5.738 174 H ASP 20 H ASP 20 -7.107 -18.726 -1.358 175 HA ASP 20 HA ASP 20 -7.676 -16.506 0.421 176 HB2 ASP 20 HB2 ASP 20 -8.791 -18.894 0.360 177 HB3 ASP 20 HB1 ASP 20 -7.421 -19.330 1.377 178 H ALA 21 H ALA 21 -5.206 -19.017 0.042 179 HA ALA 21 HA ALA 21 -3.705 -18.415 2.325 180 HB1 ALA 21 HB1 ALA 21 -1.793 -19.334 0.690 181 HB2 ALA 21 HB2 ALA 21 -3.220 -19.870 -0.198 182 HB3 ALA 21 HB3 ALA 21 -2.979 -20.382 1.472 183 H GLU 22 H GLU 22 -3.472 -17.164 -0.973 184 HA GLU 22 HA GLU 22 -1.213 -15.523 -0.483 185 HB2 GLU 22 HB2 GLU 22 -3.236 -15.774 -2.652 186 HB3 GLU 22 HB1 GLU 22 -2.311 -14.282 -2.576 187 HG2 GLU 22 HG2 GLU 22 -0.449 -15.253 -3.329 188 HG3 GLU 22 HG1 GLU 22 -0.682 -16.692 -2.338 189 H LYS 23 H LYS 23 -4.706 -14.882 -0.507 190 HA LYS 23 HA LYS 23 -4.492 -12.117 0.068 191 HB2 LYS 23 HB2 LYS 23 -6.541 -13.678 -0.688 192 HB3 LYS 23 HB1 LYS 23 -6.864 -13.625 1.039 193 HG2 LYS 23 HG2 LYS 23 -6.770 -11.124 0.882 194 HG3 LYS 23 HG1 LYS 23 -6.711 -11.310 -0.872 195 HD2 LYS 23 HD2 LYS 23 -8.890 -12.454 0.868 196 HD3 LYS 23 HD1 LYS 23 -8.996 -10.887 0.063 197 HE2 LYS 23 HE2 LYS 23 -9.183 -11.817 -2.021 198 HE3 LYS 23 HE1 LYS 23 -8.281 -13.263 -1.574 199 HZ1 LYS 23 HZ1 LYS 23 -11.086 -12.622 -0.841 200 HZ2 LYS 23 HZ2 LYS 23 -10.228 -13.953 -0.245 201 HZ3 LYS 23 HZ3 LYS 23 -10.565 -13.837 -1.899 202 H ASP 24 H ASP 24 -4.541 -15.003 2.046 203 HA ASP 24 HA ASP 24 -4.997 -13.768 4.538 204 HB2 ASP 24 HB2 ASP 24 -4.093 -16.382 3.573 205 HB3 ASP 24 HB1 ASP 24 -3.342 -15.918 5.096 206 H TYR 25 H TYR 25 -2.006 -14.603 2.815 207 HA TYR 25 HA TYR 25 -0.270 -13.504 4.766 208 HB2 TYR 25 HB2 TYR 25 0.459 -15.180 3.093 209 HB3 TYR 25 HB1 TYR 25 0.248 -13.981 1.822 210 HD1 TYR 25 HD1 TYR 25 2.128 -14.588 4.980 211 HD2 TYR 25 HD2 TYR 25 2.026 -12.608 1.218 212 HE1 TYR 25 HE1 TYR 25 4.440 -13.821 5.328 213 HE2 TYR 25 HE2 TYR 25 4.336 -11.838 1.552 214 HH TYR 25 HH TYR 25 5.919 -12.020 4.548 215 H LEU 26 H LEU 26 -1.473 -12.221 1.653 216 HA LEU 26 HA LEU 26 -0.144 -9.758 1.817 217 HB2 LEU 26 HB2 LEU 26 -1.284 -10.495 -0.227 218 HB3 LEU 26 HB1 LEU 26 -2.835 -10.382 0.583 219 HG LEU 26 HG LEU 26 -1.617 -7.846 0.839 220 HD11 LEU 26 HD11 LEU 26 -1.730 -8.498 -2.065 221 HD12 LEU 26 HD12 LEU 26 -0.260 -8.854 -1.156 222 HD13 LEU 26 HD13 LEU 26 -0.872 -7.201 -1.230 223 HD21 LEU 26 HD21 LEU 26 -4.000 -9.052 -0.394 224 HD22 LEU 26 HD22 LEU 26 -3.514 -7.485 -1.044 225 HD23 LEU 26 HD23 LEU 26 -3.855 -7.659 0.678 226 H TYR 27 H TYR 27 -3.181 -10.908 3.151 227 HA TYR 27 HA TYR 27 -4.045 -8.453 4.256 228 HB2 TYR 27 HB2 TYR 27 -4.682 -11.325 4.674 229 HB3 TYR 27 HB1 TYR 27 -5.048 -10.247 6.014 230 HD1 TYR 27 HD2 TYR 27 -6.054 -7.851 4.871 231 HD2 TYR 27 HD1 TYR 27 -6.602 -11.845 3.508 232 HE1 TYR 27 HE2 TYR 27 -8.148 -7.183 3.769 233 HE2 TYR 27 HE1 TYR 27 -8.698 -11.186 2.404 234 HH TYR 27 HH TYR 27 -10.411 -9.406 2.618 235 H ASP 28 H ASP 28 -1.790 -10.950 5.266 236 HA ASP 28 HA ASP 28 -1.401 -9.943 7.911 237 HB2 ASP 28 HB2 ASP 28 -0.234 -12.050 6.206 238 HB3 ASP 28 HB1 ASP 28 0.875 -11.350 7.381 239 H VAL 29 H VAL 29 0.022 -9.341 4.756 240 HA VAL 29 HA VAL 29 2.319 -7.948 5.678 241 HB VAL 29 HB VAL 29 0.887 -7.631 3.032 242 HG11 VAL 29 HG11 VAL 29 3.652 -6.876 3.954 243 HG12 VAL 29 HG12 VAL 29 2.392 -5.817 3.321 244 HG13 VAL 29 HG13 VAL 29 3.190 -6.973 2.255 245 HG21 VAL 29 HG21 VAL 29 1.409 -9.885 3.070 246 HG22 VAL 29 HG22 VAL 29 2.871 -9.637 4.024 247 HG23 VAL 29 HG23 VAL 29 2.842 -9.185 2.319 248 H LEU 30 H LEU 30 -0.778 -6.768 4.354 249 HA LEU 30 HA LEU 30 -0.296 -4.046 4.771 250 HB2 LEU 30 HB2 LEU 30 -2.857 -5.630 4.650 251 HB3 LEU 30 HB1 LEU 30 -2.837 -3.884 4.805 252 HG LEU 30 HG LEU 30 -1.403 -5.232 2.541 253 HD11 LEU 30 HD11 LEU 30 -4.317 -4.908 2.932 254 HD12 LEU 30 HD12 LEU 30 -3.420 -6.093 1.982 255 HD13 LEU 30 HD13 LEU 30 -3.667 -4.464 1.352 256 HD21 LEU 30 HD21 LEU 30 -2.205 -2.496 3.299 257 HD22 LEU 30 HD22 LEU 30 -2.376 -2.916 1.595 258 HD23 LEU 30 HD23 LEU 30 -0.806 -3.060 2.386 259 H ARG 31 H ARG 31 -1.606 -6.530 6.886 260 HA ARG 31 HA ARG 31 -2.497 -4.890 8.976 261 HB2 ARG 31 HB2 ARG 31 -2.061 -7.705 8.532 262 HB3 ARG 31 HB1 ARG 31 -1.498 -7.260 10.137 263 HG2 ARG 31 HG2 ARG 31 -3.573 -6.904 10.908 264 HG3 ARG 31 HG1 ARG 31 -4.120 -6.165 9.403 265 HD2 ARG 31 HD2 ARG 31 -5.355 -8.146 9.557 266 HD3 ARG 31 HD1 ARG 31 -4.054 -8.528 8.431 267 HE ARG 31 HE ARG 31 -3.210 -10.025 9.953 268 HH11 ARG 31 HH11 ARG 31 -5.598 -8.019 11.523 269 HH12 ARG 31 HH12 ARG 31 -5.639 -8.979 12.963 270 HH21 ARG 31 HH21 ARG 31 -3.263 -11.286 11.848 271 HH22 ARG 31 HH22 ARG 31 -4.311 -10.832 13.150 272 H MET 32 H MET 32 0.668 -6.372 8.362 273 HA MET 32 HA MET 32 1.866 -5.358 10.741 274 HB2 MET 32 HB2 MET 32 2.618 -7.069 8.588 275 HB3 MET 32 HB1 MET 32 3.839 -5.811 8.725 276 HG2 MET 32 HG2 MET 32 2.913 -7.626 10.938 277 HG3 MET 32 HG1 MET 32 4.425 -7.762 10.041 278 HE1 MET 32 HE1 MET 32 6.295 -7.122 10.589 279 HE2 MET 32 HE2 MET 32 6.751 -6.413 12.138 280 HE3 MET 32 HE3 MET 32 6.611 -5.390 10.709 281 H TYR 33 H TYR 33 1.814 -4.334 7.356 282 HA TYR 33 HA TYR 33 3.566 -2.179 7.513 283 HB2 TYR 33 HB2 TYR 33 2.781 -2.984 5.375 284 HB3 TYR 33 HB1 TYR 33 1.118 -2.579 5.782 285 HD1 TYR 33 HD1 TYR 33 4.125 -0.472 6.339 286 HD2 TYR 33 HD2 TYR 33 0.574 -1.064 4.069 287 HE1 TYR 33 HE1 TYR 33 4.419 1.744 5.312 288 HE2 TYR 33 HE2 TYR 33 0.859 1.151 3.036 289 HH TYR 33 HH TYR 33 1.964 3.253 3.461 290 H HIS 34 H HIS 34 0.306 -2.510 8.658 291 HA HIS 34 HA HIS 34 -0.237 0.286 8.896 292 HB2 HIS 34 HB2 HIS 34 -2.022 -1.424 8.729 293 HB3 HIS 34 HB1 HIS 34 -1.551 -2.044 10.307 294 HD1 HIS 34 HD1 HIS 34 -2.109 -0.552 12.379 295 HD2 HIS 34 HD2 HIS 34 -3.580 0.871 8.764 296 HE1 HIS 34 HE1 HIS 34 -3.789 1.216 12.986 297 HE2 HIS 34 HE2 HIS 34 -4.734 1.998 10.786 298 H GLN 35 H GLN 35 0.874 -2.237 11.121 299 HA GLN 35 HA GLN 35 0.980 -0.456 13.368 300 HB2 GLN 35 HB2 GLN 35 1.430 -3.304 12.867 301 HB3 GLN 35 HB1 GLN 35 2.515 -2.620 14.072 302 HG2 GLN 35 HG2 GLN 35 0.890 -2.987 15.536 303 HG3 GLN 35 HG1 GLN 35 0.065 -1.614 14.801 304 HE21 GLN 35 HE21 GLN 35 0.315 -5.098 14.877 305 HE22 GLN 35 HE22 GLN 35 -1.228 -5.420 14.171 306 H THR 36 H THR 36 3.539 -2.276 11.700 307 HA THR 36 HA THR 36 5.646 -0.806 12.866 308 HB THR 36 HB THR 36 6.039 -3.027 12.009 309 HG1 THR 36 HG1 THR 36 7.434 -1.142 10.417 310 HG21 THR 36 HG21 THR 36 4.982 -3.652 10.158 311 HG22 THR 36 HG22 THR 36 6.306 -2.873 9.295 312 HG23 THR 36 HG23 THR 36 4.807 -1.993 9.585 313 H MET 37 H MET 37 3.676 -0.226 10.065 314 HA MET 37 HA MET 37 3.589 1.499 8.581 315 HB2 MET 37 HB2 MET 37 5.088 2.741 10.862 316 HB3 MET 37 HB1 MET 37 4.846 3.640 9.370 317 HG2 MET 37 HG2 MET 37 2.572 2.396 10.880 318 HG3 MET 37 HG1 MET 37 3.173 4.015 11.233 319 HE1 MET 37 HE1 MET 37 -0.208 3.341 8.663 320 HE2 MET 37 HE2 MET 37 0.137 3.275 10.391 321 HE3 MET 37 HE3 MET 37 0.695 1.981 9.330 322 H ASP 38 H ASP 38 5.679 -0.518 8.366 323 HA ASP 38 HA ASP 38 7.892 0.982 7.165 324 HB2 ASP 38 HB2 ASP 38 7.604 -1.667 8.394 325 HB3 ASP 38 HB1 ASP 38 8.556 -1.670 6.913 326 H VAL 39 H VAL 39 7.664 1.483 5.102 327 HA VAL 39 HA VAL 39 5.878 0.061 3.364 328 HB VAL 39 HB VAL 39 7.907 2.150 2.574 329 HG11 VAL 39 HG11 VAL 39 6.953 2.170 0.548 330 HG12 VAL 39 HG12 VAL 39 5.324 2.027 1.207 331 HG13 VAL 39 HG13 VAL 39 6.319 0.587 0.997 332 HG21 VAL 39 HG21 VAL 39 6.294 2.777 4.474 333 HG22 VAL 39 HG22 VAL 39 5.041 2.735 3.233 334 HG23 VAL 39 HG23 VAL 39 6.396 3.853 3.080 335 H ALA 40 H ALA 40 9.265 -0.051 4.089 336 HA ALA 40 HA ALA 40 10.097 -1.324 1.673 337 HB1 ALA 40 HB1 ALA 40 11.438 -1.256 4.377 338 HB2 ALA 40 HB2 ALA 40 11.671 -0.086 3.078 339 HB3 ALA 40 HB3 ALA 40 12.187 -1.759 2.861 340 H VAL 41 H VAL 41 8.686 -2.368 4.656 341 HA VAL 41 HA VAL 41 9.428 -5.116 4.347 342 HB VAL 41 HB VAL 41 7.338 -3.894 6.151 343 HG11 VAL 41 HG11 VAL 41 8.583 -6.638 6.076 344 HG12 VAL 41 HG12 VAL 41 6.877 -6.218 5.917 345 HG13 VAL 41 HG13 VAL 41 7.695 -6.008 7.464 346 HG21 VAL 41 HG21 VAL 41 9.867 -3.247 6.336 347 HG22 VAL 41 HG22 VAL 41 10.010 -4.837 7.084 348 HG23 VAL 41 HG23 VAL 41 8.935 -3.626 7.783 349 H LEU 42 H LEU 42 6.485 -3.202 3.841 350 HA LEU 42 HA LEU 42 4.859 -5.371 3.061 351 HB2 LEU 42 HB2 LEU 42 3.229 -3.824 2.589 352 HB3 LEU 42 HB1 LEU 42 4.224 -2.933 3.721 353 HG LEU 42 HG LEU 42 5.366 -2.115 1.437 354 HD11 LEU 42 HD11 LEU 42 3.970 -3.389 -0.042 355 HD12 LEU 42 HD12 LEU 42 3.554 -1.683 -0.204 356 HD13 LEU 42 HD13 LEU 42 2.510 -2.761 0.724 357 HD21 LEU 42 HD21 LEU 42 4.340 -0.086 1.817 358 HD22 LEU 42 HD22 LEU 42 4.125 -0.888 3.373 359 HD23 LEU 42 HD23 LEU 42 2.791 -0.825 2.221 360 H VAL 43 H VAL 43 7.039 -3.256 1.285 361 HA VAL 43 HA VAL 43 6.269 -4.027 -1.317 362 HB VAL 43 HB VAL 43 8.977 -3.085 -0.350 363 HG11 VAL 43 HG11 VAL 43 7.833 -3.391 -3.117 364 HG12 VAL 43 HG12 VAL 43 9.308 -4.103 -2.463 365 HG13 VAL 43 HG13 VAL 43 9.225 -2.367 -2.760 366 HG21 VAL 43 HG21 VAL 43 6.666 -1.689 -0.243 367 HG22 VAL 43 HG22 VAL 43 7.212 -1.286 -1.870 368 HG23 VAL 43 HG23 VAL 43 8.251 -0.955 -0.484 369 H GLY 44 H GLY 44 8.742 -5.292 0.902 370 HA2 GLY 44 HA2 GLY 44 9.861 -7.209 -0.804 371 HA3 GLY 44 HA1 GLY 44 9.830 -7.314 0.951 372 H ASP 45 H ASP 45 7.283 -7.644 1.622 373 HA ASP 45 HA ASP 45 6.744 -10.326 1.016 374 HB2 ASP 45 HB2 ASP 45 4.802 -8.255 2.068 375 HB3 ASP 45 HB1 ASP 45 4.639 -10.002 2.206 376 H LEU 46 H LEU 46 5.402 -7.317 -0.274 377 HA LEU 46 HA LEU 46 3.346 -8.326 -1.824 378 HB2 LEU 46 HB2 LEU 46 5.065 -5.919 -1.928 379 HB3 LEU 46 HB1 LEU 46 4.212 -6.322 -3.405 380 HG LEU 46 HG LEU 46 2.934 -5.830 -0.714 381 HD11 LEU 46 HD11 LEU 46 3.952 -3.908 -2.197 382 HD12 LEU 46 HD12 LEU 46 2.386 -3.721 -1.408 383 HD13 LEU 46 HD13 LEU 46 2.465 -4.141 -3.118 384 HD21 LEU 46 HD21 LEU 46 0.993 -6.589 -1.516 385 HD22 LEU 46 HD22 LEU 46 1.955 -7.388 -2.758 386 HD23 LEU 46 HD23 LEU 46 1.232 -5.813 -3.082 387 H LYS 47 H LYS 47 6.802 -8.140 -2.550 388 HA LYS 47 HA LYS 47 6.598 -9.017 -5.238 389 HB2 LYS 47 HB2 LYS 47 8.788 -8.731 -3.242 390 HB3 LYS 47 HB1 LYS 47 9.083 -9.791 -4.614 391 HG2 LYS 47 HG2 LYS 47 9.737 -7.962 -5.694 392 HG3 LYS 47 HG1 LYS 47 8.026 -7.544 -5.792 393 HD2 LYS 47 HD2 LYS 47 8.255 -5.842 -4.353 394 HD3 LYS 47 HD1 LYS 47 9.232 -6.803 -3.243 395 HE2 LYS 47 HE2 LYS 47 11.001 -5.617 -3.878 396 HE3 LYS 47 HE1 LYS 47 10.859 -6.351 -5.474 397 HZ1 LYS 47 HZ1 LYS 47 10.749 -4.148 -5.996 398 HZ2 LYS 47 HZ2 LYS 47 9.975 -3.710 -4.558 399 HZ3 LYS 47 HZ3 LYS 47 9.100 -4.467 -5.791 400 H LEU 48 H LEU 48 7.393 -10.712 -2.217 401 HA LEU 48 HA LEU 48 7.757 -13.270 -3.202 402 HB2 LEU 48 HB2 LEU 48 6.603 -12.294 -0.599 403 HB3 LEU 48 HB1 LEU 48 6.840 -13.999 -0.926 404 HG LEU 48 HG LEU 48 9.143 -12.110 -1.207 405 HD11 LEU 48 HD11 LEU 48 9.550 -13.024 1.267 406 HD12 LEU 48 HD12 LEU 48 7.789 -12.917 1.294 407 HD13 LEU 48 HD13 LEU 48 8.755 -11.486 0.932 408 HD21 LEU 48 HD21 LEU 48 8.962 -14.992 -0.341 409 HD22 LEU 48 HD22 LEU 48 10.433 -14.077 -0.674 410 HD23 LEU 48 HD23 LEU 48 9.310 -14.453 -1.983 411 H VAL 49 H VAL 49 4.838 -11.437 -2.844 412 HA VAL 49 HA VAL 49 3.180 -13.787 -3.406 413 HB VAL 49 HB VAL 49 2.270 -10.965 -2.835 414 HG11 VAL 49 HG11 VAL 49 0.710 -13.513 -2.520 415 HG12 VAL 49 HG12 VAL 49 0.731 -12.601 -4.029 416 HG13 VAL 49 HG13 VAL 49 0.110 -11.854 -2.557 417 HG21 VAL 49 HG21 VAL 49 2.282 -13.234 -0.865 418 HG22 VAL 49 HG22 VAL 49 2.004 -11.519 -0.564 419 HG23 VAL 49 HG23 VAL 49 3.617 -12.089 -0.992 420 H ILE 50 H ILE 50 4.410 -10.860 -4.806 421 HA ILE 50 HA ILE 50 2.743 -11.213 -7.182 422 HB ILE 50 HB ILE 50 4.552 -8.905 -6.457 423 HG12 ILE 50 HG12 ILE 50 1.560 -8.768 -6.530 424 HG13 ILE 50 HG11 ILE 50 2.364 -9.406 -5.099 425 HG21 ILE 50 HG21 ILE 50 2.939 -7.847 -8.260 426 HG22 ILE 50 HG22 ILE 50 2.868 -9.518 -8.823 427 HG23 ILE 50 HG23 ILE 50 4.420 -8.685 -8.720 428 HD11 ILE 50 HD11 ILE 50 1.978 -7.121 -4.695 429 HD12 ILE 50 HD12 ILE 50 2.592 -6.659 -6.281 430 HD13 ILE 50 HD13 ILE 50 3.698 -7.271 -5.052 431 H ASN 51 H ASN 51 5.124 -12.830 -6.367 432 HA ASN 51 HA ASN 51 7.404 -12.382 -7.813 433 HB2 ASN 51 HB2 ASN 51 6.117 -14.671 -6.618 434 HB3 ASN 51 HB1 ASN 51 6.890 -15.135 -8.130 435 HD21 ASN 51 HD21 ASN 51 7.859 -12.647 -5.828 436 HD22 ASN 51 HD22 ASN 51 9.382 -13.357 -5.427 437 H GLU 52 H GLU 52 4.269 -13.308 -9.012 438 HA GLU 52 HA GLU 52 5.348 -13.721 -11.705 439 HB2 GLU 52 HB2 GLU 52 2.640 -14.298 -10.501 440 HB3 GLU 52 HB1 GLU 52 2.986 -14.465 -12.216 441 HG2 GLU 52 HG2 GLU 52 4.954 -15.969 -11.321 442 HG3 GLU 52 HG1 GLU 52 3.888 -16.120 -9.924 443 HA PRO 53 HA PRO 53 4.127 -9.748 -13.170 444 HB2 PRO 53 HB2 PRO 53 3.113 -11.058 -15.619 445 HB3 PRO 53 HB1 PRO 53 4.379 -9.842 -15.436 446 HG2 PRO 53 HG2 PRO 53 4.972 -12.383 -16.018 447 HG3 PRO 53 HG1 PRO 53 6.005 -11.414 -14.953 448 HD2 PRO 53 HD2 PRO 53 4.003 -13.524 -14.249 449 HD3 PRO 53 HD1 PRO 53 5.602 -13.205 -13.543 450 H SER 54 H SER 54 1.836 -12.389 -13.286 451 HA SER 54 HA SER 54 -0.470 -11.025 -14.049 452 HB2 SER 54 HB2 SER 54 -0.791 -13.101 -11.960 453 HB3 SER 54 HB1 SER 54 -1.573 -12.950 -13.533 454 HG SER 54 HG SER 54 0.240 -13.806 -14.499 455 H ARG 55 H ARG 55 1.051 -11.319 -10.880 456 HA ARG 55 HA ARG 55 -1.094 -9.841 -9.597 457 HB2 ARG 55 HB2 ARG 55 1.447 -11.108 -8.606 458 HB3 ARG 55 HB1 ARG 55 0.466 -10.077 -7.575 459 HG2 ARG 55 HG2 ARG 55 -0.830 -11.797 -7.081 460 HG3 ARG 55 HG1 ARG 55 -1.254 -11.976 -8.783 461 HD2 ARG 55 HD2 ARG 55 1.193 -13.113 -8.769 462 HD3 ARG 55 HD1 ARG 55 0.661 -13.492 -7.132 463 HE ARG 55 HE ARG 55 -1.436 -14.155 -8.800 464 HH11 ARG 55 HH11 ARG 55 1.889 -15.128 -8.380 465 HH12 ARG 55 HH12 ARG 55 1.617 -16.745 -8.939 466 HH21 ARG 55 HH21 ARG 55 -1.796 -16.278 -9.536 467 HH22 ARG 55 HH22 ARG 55 -0.476 -17.398 -9.598 468 H LEU 56 H LEU 56 0.907 -8.672 -11.647 469 HA LEU 56 HA LEU 56 2.573 -6.827 -10.380 470 HB2 LEU 56 HB2 LEU 56 1.329 -7.046 -13.071 471 HB3 LEU 56 HB1 LEU 56 2.022 -5.499 -12.621 472 HG LEU 56 HG LEU 56 3.638 -8.009 -12.350 473 HD11 LEU 56 HD11 LEU 56 3.316 -8.332 -14.558 474 HD12 LEU 56 HD12 LEU 56 4.507 -7.039 -14.698 475 HD13 LEU 56 HD13 LEU 56 2.786 -6.674 -14.835 476 HD21 LEU 56 HD21 LEU 56 4.193 -5.073 -12.616 477 HD22 LEU 56 HD22 LEU 56 5.437 -6.284 -12.926 478 HD23 LEU 56 HD23 LEU 56 4.683 -6.181 -11.334 479 HA PRO 57 HA PRO 57 -1.331 -3.752 -11.022 480 HB2 PRO 57 HB2 PRO 57 -3.231 -5.830 -10.016 481 HB3 PRO 57 HB1 PRO 57 -3.518 -4.489 -11.131 482 HG2 PRO 57 HG2 PRO 57 -3.245 -6.963 -12.054 483 HG3 PRO 57 HG1 PRO 57 -2.531 -5.590 -12.921 484 HD2 PRO 57 HD2 PRO 57 -1.213 -7.668 -11.246 485 HD3 PRO 57 HD1 PRO 57 -0.600 -6.810 -12.672 486 H LEU 58 H LEU 58 -0.662 -6.140 -8.547 487 HA LEU 58 HA LEU 58 -1.918 -5.017 -6.350 488 HB2 LEU 58 HB2 LEU 58 0.076 -6.985 -6.815 489 HB3 LEU 58 HB1 LEU 58 0.643 -5.948 -5.522 490 HG LEU 58 HG LEU 58 -2.054 -7.300 -5.522 491 HD11 LEU 58 HD11 LEU 58 -1.149 -8.950 -4.060 492 HD12 LEU 58 HD12 LEU 58 0.413 -8.133 -4.011 493 HD13 LEU 58 HD13 LEU 58 -0.134 -8.900 -5.501 494 HD21 LEU 58 HD21 LEU 58 -1.339 -5.144 -4.111 495 HD22 LEU 58 HD22 LEU 58 -0.700 -6.402 -3.054 496 HD23 LEU 58 HD23 LEU 58 -2.411 -6.394 -3.479 497 H PHE 59 H PHE 59 1.274 -4.221 -7.692 498 HA PHE 59 HA PHE 59 2.091 -2.420 -5.727 499 HB2 PHE 59 HB2 PHE 59 2.700 -2.522 -8.684 500 HB3 PHE 59 HB1 PHE 59 3.498 -1.414 -7.574 501 HD1 PHE 59 HD1 PHE 59 3.077 -4.935 -8.520 502 HD2 PHE 59 HD2 PHE 59 5.171 -2.175 -6.048 503 HE1 PHE 59 HE1 PHE 59 4.719 -6.682 -7.969 504 HE2 PHE 59 HE2 PHE 59 6.817 -3.917 -5.492 505 HZ PHE 59 HZ PHE 59 6.594 -6.173 -6.453 506 H ASP 60 H ASP 60 0.379 -1.756 -8.780 507 HA ASP 60 HA ASP 60 0.056 1.026 -8.184 508 HB2 ASP 60 HB2 ASP 60 -0.021 -0.385 -10.488 509 HB3 ASP 60 HB1 ASP 60 -1.745 -0.236 -10.168 510 H ALA 61 H ALA 61 -1.709 -1.864 -7.541 511 HA ALA 61 HA ALA 61 -4.264 -0.729 -7.111 512 HB1 ALA 61 HB1 ALA 61 -3.100 -3.246 -5.929 513 HB2 ALA 61 HB2 ALA 61 -3.860 -3.125 -7.515 514 HB3 ALA 61 HB3 ALA 61 -4.810 -2.836 -6.058 515 H ILE 62 H ILE 62 -1.661 -1.642 -4.866 516 HA ILE 62 HA ILE 62 -3.032 -0.660 -2.566 517 HB ILE 62 HB ILE 62 -0.092 -1.270 -2.776 518 HG12 ILE 62 HG12 ILE 62 -2.215 -3.217 -1.896 519 HG13 ILE 62 HG11 ILE 62 -1.715 -3.107 -3.580 520 HG21 ILE 62 HG21 ILE 62 0.001 -1.030 -0.559 521 HG22 ILE 62 HG22 ILE 62 -1.502 -1.918 -0.313 522 HG23 ILE 62 HG23 ILE 62 -1.547 -0.200 -0.703 523 HD11 ILE 62 HD11 ILE 62 0.412 -3.418 -1.548 524 HD12 ILE 62 HD12 ILE 62 0.300 -4.063 -3.185 525 HD13 ILE 62 HD13 ILE 62 -0.621 -4.809 -1.877 526 H ARG 63 H ARG 63 -0.554 0.679 -4.689 527 HA ARG 63 HA ARG 63 0.505 2.712 -3.249 528 HB2 ARG 63 HB2 ARG 63 0.503 2.065 -5.888 529 HB3 ARG 63 HB1 ARG 63 -0.376 3.588 -5.920 530 HG2 ARG 63 HG2 ARG 63 1.471 4.774 -5.583 531 HG3 ARG 63 HG1 ARG 63 1.988 3.737 -4.252 532 HD2 ARG 63 HD2 ARG 63 3.675 3.484 -5.839 533 HD3 ARG 63 HD1 ARG 63 2.657 2.063 -6.081 534 HE ARG 63 HE ARG 63 1.634 3.814 -7.846 535 HH11 ARG 63 HH11 ARG 63 4.906 2.777 -7.208 536 HH12 ARG 63 HH12 ARG 63 5.431 3.008 -8.841 537 HH21 ARG 63 HH21 ARG 63 2.322 4.115 -9.996 538 HH22 ARG 63 HH22 ARG 63 3.965 3.766 -10.424 539 HA PRO 64 HA PRO 64 -3.351 5.642 -4.500 540 HB2 PRO 64 HB2 PRO 64 -5.308 3.417 -4.108 541 HB3 PRO 64 HB1 PRO 64 -5.416 4.836 -5.155 542 HG2 PRO 64 HG2 PRO 64 -4.804 2.441 -6.154 543 HG3 PRO 64 HG1 PRO 64 -4.041 3.917 -6.772 544 HD2 PRO 64 HD2 PRO 64 -2.905 1.778 -5.056 545 HD3 PRO 64 HD1 PRO 64 -2.097 2.853 -6.213 546 H LEU 65 H LEU 65 -4.102 2.868 -2.368 547 HA LEU 65 HA LEU 65 -5.135 4.555 -0.306 548 HB2 LEU 65 HB2 LEU 65 -5.576 2.602 0.896 549 HB3 LEU 65 HB1 LEU 65 -5.790 2.151 -0.783 550 HG LEU 65 HG LEU 65 -3.100 1.584 -0.169 551 HD11 LEU 65 HD11 LEU 65 -3.170 1.394 2.079 552 HD12 LEU 65 HD12 LEU 65 -3.847 -0.189 1.693 553 HD13 LEU 65 HD13 LEU 65 -4.917 1.148 2.115 554 HD21 LEU 65 HD21 LEU 65 -5.475 -0.264 -0.384 555 HD22 LEU 65 HD22 LEU 65 -3.781 -0.712 -0.589 556 HD23 LEU 65 HD23 LEU 65 -4.549 0.382 -1.740 557 H ILE 66 H ILE 66 -1.999 3.658 -1.222 558 HA ILE 66 HA ILE 66 -0.833 3.796 1.412 559 HB ILE 66 HB ILE 66 0.315 3.521 -1.358 560 HG12 ILE 66 HG12 ILE 66 0.401 1.749 1.092 561 HG13 ILE 66 HG11 ILE 66 -0.655 1.526 -0.299 562 HG21 ILE 66 HG21 ILE 66 1.853 3.895 1.207 563 HG22 ILE 66 HG22 ILE 66 1.885 4.935 -0.217 564 HG23 ILE 66 HG23 ILE 66 2.550 3.304 -0.301 565 HD11 ILE 66 HD11 ILE 66 1.677 0.258 0.014 566 HD12 ILE 66 HD12 ILE 66 2.228 1.678 -0.873 567 HD13 ILE 66 HD13 ILE 66 0.981 0.638 -1.562 568 HA PRO 67 HA PRO 67 -0.452 8.213 1.897 569 HB2 PRO 67 HB2 PRO 67 2.263 7.978 2.778 570 HB3 PRO 67 HB1 PRO 67 0.821 8.244 3.757 571 HG2 PRO 67 HG2 PRO 67 2.309 5.759 3.255 572 HG3 PRO 67 HG1 PRO 67 1.216 6.165 4.584 573 HD2 PRO 67 HD2 PRO 67 0.561 4.407 2.634 574 HD3 PRO 67 HD1 PRO 67 -0.644 5.432 3.442 575 H LEU 68 H LEU 68 0.137 9.796 0.766 576 HA LEU 68 HA LEU 68 1.094 9.630 -1.775 577 HB2 LEU 68 HB2 LEU 68 0.517 11.635 0.232 578 HB3 LEU 68 HB1 LEU 68 1.753 12.164 -0.893 579 HG LEU 68 HG LEU 68 -1.027 11.239 -1.574 580 HD11 LEU 68 HD11 LEU 68 0.246 13.876 -1.201 581 HD12 LEU 68 HD12 LEU 68 -1.429 13.377 -0.966 582 HD13 LEU 68 HD13 LEU 68 -0.830 13.715 -2.590 583 HD21 LEU 68 HD21 LEU 68 1.355 11.826 -3.279 584 HD22 LEU 68 HD22 LEU 68 -0.267 12.164 -3.886 585 HD23 LEU 68 HD23 LEU 68 0.174 10.523 -3.411 586 H LYS 69 H LYS 69 2.942 10.438 1.165 587 HA LYS 69 HA LYS 69 5.397 10.890 -0.178 588 HB2 LYS 69 HB2 LYS 69 6.419 10.633 2.078 589 HB3 LYS 69 HB1 LYS 69 5.081 11.772 2.043 590 HG2 LYS 69 HG2 LYS 69 3.603 10.056 2.977 591 HG3 LYS 69 HG1 LYS 69 4.961 8.932 3.035 592 HD2 LYS 69 HD2 LYS 69 5.838 9.893 4.871 593 HD3 LYS 69 HD1 LYS 69 5.460 11.525 4.319 594 HE2 LYS 69 HE2 LYS 69 2.985 10.379 4.846 595 HE3 LYS 69 HE1 LYS 69 4.020 9.806 6.154 596 HZ1 LYS 69 HZ1 LYS 69 4.152 12.643 5.461 597 HZ2 LYS 69 HZ2 LYS 69 4.308 11.892 6.968 598 HZ3 LYS 69 HZ3 LYS 69 2.776 12.103 6.284 599 H HIS 70 H HIS 70 4.057 8.078 1.511 600 HA HIS 70 HA HIS 70 6.267 6.375 1.078 601 HB2 HIS 70 HB2 HIS 70 3.361 5.824 1.666 602 HB3 HIS 70 HB1 HIS 70 4.551 4.539 1.499 603 HD1 HIS 70 HD1 HIS 70 3.651 4.197 4.094 604 HD2 HIS 70 HD2 HIS 70 6.184 7.401 3.324 605 HE1 HIS 70 HE1 HIS 70 4.585 4.868 6.330 606 HE2 HIS 70 HE2 HIS 70 6.164 6.768 5.833 607 H GLN 71 H GLN 71 3.561 7.320 -0.895 608 HA GLN 71 HA GLN 71 3.575 5.214 -2.753 609 HB2 GLN 71 HB2 GLN 71 2.648 8.051 -2.783 610 HB3 GLN 71 HB1 GLN 71 2.765 7.202 -4.318 611 HG2 GLN 71 HG2 GLN 71 1.232 5.515 -3.560 612 HG3 GLN 71 HG1 GLN 71 1.198 6.222 -1.945 613 HE21 GLN 71 HE21 GLN 71 0.693 7.204 -5.320 614 HE22 GLN 71 HE22 GLN 71 -0.706 8.169 -5.011 615 H VAL 72 H VAL 72 5.286 8.317 -2.712 616 HA VAL 72 HA VAL 72 6.650 8.018 -5.150 617 HB VAL 72 HB VAL 72 7.816 9.439 -2.774 618 HG11 VAL 72 HG11 VAL 72 9.263 9.402 -4.662 619 HG12 VAL 72 HG12 VAL 72 8.564 11.020 -4.572 620 HG13 VAL 72 HG13 VAL 72 7.953 9.858 -5.751 621 HG21 VAL 72 HG21 VAL 72 5.643 10.283 -2.707 622 HG22 VAL 72 HG22 VAL 72 5.472 10.243 -4.461 623 HG23 VAL 72 HG23 VAL 72 6.507 11.452 -3.704 624 H GLU 73 H GLU 73 7.821 7.492 -1.814 625 HA GLU 73 HA GLU 73 10.286 6.364 -2.509 626 HB2 GLU 73 HB2 GLU 73 9.703 7.100 -0.218 627 HB3 GLU 73 HB1 GLU 73 8.583 5.752 -0.081 628 HG2 GLU 73 HG2 GLU 73 10.345 4.169 -0.122 629 HG3 GLU 73 HG1 GLU 73 11.522 5.396 -0.583 630 H TYR 74 H TYR 74 7.093 4.964 -2.215 631 HA TYR 74 HA TYR 74 7.791 2.248 -2.368 632 HB2 TYR 74 HB2 TYR 74 5.513 3.059 -1.805 633 HB3 TYR 74 HB1 TYR 74 5.311 3.600 -3.468 634 HD1 TYR 74 HD1 TYR 74 5.516 0.680 -1.255 635 HD2 TYR 74 HD2 TYR 74 4.886 2.014 -5.244 636 HE1 TYR 74 HE1 TYR 74 4.653 -1.543 -1.855 637 HE2 TYR 74 HE2 TYR 74 4.022 -0.205 -5.857 638 HH TYR 74 HH TYR 74 2.907 -2.348 -3.896 639 H ASP 75 H ASP 75 7.463 4.792 -4.734 640 HA ASP 75 HA ASP 75 7.620 3.106 -7.037 641 HB2 ASP 75 HB2 ASP 75 6.643 5.428 -7.002 642 HB3 ASP 75 HB1 ASP 75 8.284 6.049 -6.858 643 H GLN 76 H GLN 76 9.922 4.891 -5.052 644 HA GLN 76 HA GLN 76 12.162 4.572 -6.750 645 HB2 GLN 76 HB2 GLN 76 11.768 5.278 -3.875 646 HB3 GLN 76 HB1 GLN 76 13.387 4.880 -4.437 647 HG2 GLN 76 HG2 GLN 76 13.167 6.632 -6.169 648 HG3 GLN 76 HG1 GLN 76 11.606 7.072 -5.477 649 HE21 GLN 76 HE21 GLN 76 12.589 9.180 -5.216 650 HE22 GLN 76 HE22 GLN 76 13.574 9.491 -3.832 651 H LEU 77 H LEU 77 10.651 2.453 -4.436 652 HA LEU 77 HA LEU 77 12.944 0.647 -4.465 653 HB2 LEU 77 HB2 LEU 77 10.363 0.374 -2.935 654 HB3 LEU 77 HB1 LEU 77 11.831 -0.556 -2.696 655 HG LEU 77 HG LEU 77 11.619 2.418 -2.230 656 HD11 LEU 77 HD11 LEU 77 10.350 0.600 -0.722 657 HD12 LEU 77 HD12 LEU 77 11.065 2.072 -0.069 658 HD13 LEU 77 HD13 LEU 77 11.945 0.548 0.029 659 HD21 LEU 77 HD21 LEU 77 13.757 0.412 -1.521 660 HD22 LEU 77 HD22 LEU 77 13.749 2.113 -1.056 661 HD23 LEU 77 HD23 LEU 77 13.871 1.664 -2.757 662 H THR 78 H THR 78 9.771 0.938 -5.842 663 HA THR 78 HA THR 78 9.026 -1.646 -6.330 664 HB THR 78 HB THR 78 8.465 -0.363 -8.738 665 HG1 THR 78 HG1 THR 78 8.246 1.702 -8.339 666 HG21 THR 78 HG21 THR 78 6.468 0.319 -6.832 667 HG22 THR 78 HG22 THR 78 7.038 -1.319 -6.510 668 HG23 THR 78 HG23 THR 78 6.422 -0.897 -8.108 669 HA PRO 79 HA PRO 79 11.705 -1.934 -10.299 670 HB2 PRO 79 HB2 PRO 79 13.419 0.078 -10.865 671 HB3 PRO 79 HB1 PRO 79 11.729 0.097 -11.378 672 HG2 PRO 79 HG2 PRO 79 13.023 1.474 -9.060 673 HG3 PRO 79 HG1 PRO 79 11.801 2.090 -10.188 674 HD2 PRO 79 HD2 PRO 79 11.209 1.171 -7.685 675 HD3 PRO 79 HD1 PRO 79 10.071 1.095 -9.045 676 H ARG 80 H ARG 80 13.587 -3.077 -10.432 677 HA ARG 80 HA ARG 80 15.792 -2.479 -8.635 678 HB2 ARG 80 HB2 ARG 80 15.828 -4.929 -7.912 679 HB3 ARG 80 HB1 ARG 80 14.613 -3.896 -7.172 680 HG2 ARG 80 HG2 ARG 80 13.583 -5.969 -7.713 681 HG3 ARG 80 HG1 ARG 80 12.971 -4.755 -8.838 682 HD2 ARG 80 HD2 ARG 80 14.295 -5.578 -10.603 683 HD3 ARG 80 HD1 ARG 80 15.302 -6.527 -9.512 684 HE ARG 80 HE ARG 80 12.762 -7.281 -10.630 685 HH11 ARG 80 HH11 ARG 80 15.007 -7.809 -8.009 686 HH12 ARG 80 HH12 ARG 80 14.424 -9.403 -7.666 687 HH21 ARG 80 HH21 ARG 80 11.993 -9.377 -10.179 688 HH22 ARG 80 HH22 ARG 80 12.712 -10.293 -8.896 689 H1 ASP 100 H ASP 100 -6.005 13.692 8.131 690 HA ASP 100 HA ASP 100 -7.700 11.641 6.996 691 HB2 ASP 100 HB2 ASP 100 -6.159 13.531 5.204 692 HB3 ASP 100 HB1 ASP 100 -6.990 12.072 4.673 693 H ASP 101 H ASP 101 -5.670 11.468 8.887 694 HA ASP 101 HA ASP 101 -3.377 10.370 7.421 695 HB2 ASP 101 HB2 ASP 101 -3.754 11.546 10.111 696 HB3 ASP 101 HB1 ASP 101 -2.638 10.186 10.023 697 H ASP 102 H ASP 102 -3.168 8.247 7.178 698 HA ASP 102 HA ASP 102 -3.453 6.003 7.407 699 HB2 ASP 102 HB2 ASP 102 -3.608 7.009 10.192 700 HB3 ASP 102 HB1 ASP 102 -4.226 5.383 9.915 701 H ARG 103 H ARG 103 -5.658 7.658 6.548 702 HA ARG 103 HA ARG 103 -8.041 6.479 7.701 703 HB2 ARG 103 HB2 ARG 103 -9.270 7.935 6.217 704 HB3 ARG 103 HB1 ARG 103 -7.989 8.856 6.991 705 HG2 ARG 103 HG2 ARG 103 -6.617 8.554 4.939 706 HG3 ARG 103 HG1 ARG 103 -8.015 7.798 4.174 707 HD2 ARG 103 HD2 ARG 103 -8.083 10.558 5.374 708 HD3 ARG 103 HD1 ARG 103 -7.676 10.252 3.686 709 HE ARG 103 HE ARG 103 -9.888 9.703 3.263 710 HH11 ARG 103 HH11 ARG 103 -9.404 10.227 6.684 711 HH12 ARG 103 HH12 ARG 103 -11.097 10.316 7.033 712 HH21 ARG 103 HH21 ARG 103 -12.111 9.822 3.726 713 HH22 ARG 103 HH22 ARG 103 -12.633 10.085 5.357 714 H TYR 104 H TYR 104 -6.351 6.447 4.579 715 HA TYR 104 HA TYR 104 -8.115 4.719 3.244 716 HB2 TYR 104 HB2 TYR 104 -5.359 5.703 2.828 717 HB3 TYR 104 HB1 TYR 104 -5.756 4.191 2.021 718 HD1 TYR 104 HD1 TYR 104 -8.411 4.441 1.070 719 HD2 TYR 104 HD2 TYR 104 -5.439 7.470 1.358 720 HE1 TYR 104 HE1 TYR 104 -9.523 5.695 -0.731 721 HE2 TYR 104 HE2 TYR 104 -6.542 8.732 -0.441 722 HH TYR 104 HH TYR 104 -8.687 8.933 -1.500 723 H LEU 105 H LEU 105 -5.008 3.999 4.837 724 HA LEU 105 HA LEU 105 -5.029 1.241 4.470 725 HB2 LEU 105 HB2 LEU 105 -3.641 3.149 6.214 726 HB3 LEU 105 HB1 LEU 105 -3.779 1.541 6.894 727 HG LEU 105 HG LEU 105 -2.725 1.933 4.113 728 HD11 LEU 105 HD11 LEU 105 -0.815 1.698 6.363 729 HD12 LEU 105 HD12 LEU 105 -1.546 3.277 6.080 730 HD13 LEU 105 HD13 LEU 105 -0.632 2.485 4.795 731 HD21 LEU 105 HD21 LEU 105 -3.396 -0.323 5.080 732 HD22 LEU 105 HD22 LEU 105 -2.007 -0.151 6.153 733 HD23 LEU 105 HD23 LEU 105 -1.772 -0.193 4.406 734 H ARG 106 H ARG 106 -6.162 3.104 7.286 735 HA ARG 106 HA ARG 106 -7.128 0.912 8.749 736 HB2 ARG 106 HB2 ARG 106 -6.723 3.293 9.564 737 HB3 ARG 106 HB1 ARG 106 -8.282 3.695 8.857 738 HG2 ARG 106 HG2 ARG 106 -8.891 1.502 10.367 739 HG3 ARG 106 HG1 ARG 106 -7.648 2.293 11.337 740 HD2 ARG 106 HD2 ARG 106 -10.231 3.480 10.341 741 HD3 ARG 106 HD1 ARG 106 -9.780 3.143 12.012 742 HE ARG 106 HE ARG 106 -7.993 4.964 10.703 743 HH11 ARG 106 HH11 ARG 106 -11.005 4.693 12.445 744 HH12 ARG 106 HH12 ARG 106 -10.978 6.336 12.995 745 HH21 ARG 106 HH21 ARG 106 -7.956 7.124 11.425 746 HH22 ARG 106 HH22 ARG 106 -9.246 7.715 12.417 747 H GLU 107 H GLU 107 -8.550 2.824 6.186 748 HA GLU 107 HA GLU 107 -11.234 2.121 6.504 749 HB2 GLU 107 HB2 GLU 107 -9.605 3.381 4.493 750 HB3 GLU 107 HB1 GLU 107 -10.740 2.275 3.730 751 HG2 GLU 107 HG2 GLU 107 -11.772 4.403 3.818 752 HG3 GLU 107 HG1 GLU 107 -12.565 3.385 5.021 753 H ALA 108 H ALA 108 -8.840 0.642 4.305 754 HA ALA 108 HA ALA 108 -10.536 -1.571 3.686 755 HB1 ALA 108 HB1 ALA 108 -9.094 -1.302 1.962 756 HB2 ALA 108 HB2 ALA 108 -8.129 -2.447 2.895 757 HB3 ALA 108 HB3 ALA 108 -7.791 -0.720 2.997 758 H ILE 109 H ILE 109 -7.685 -1.139 5.751 759 HA ILE 109 HA ILE 109 -7.367 -3.767 6.605 760 HB ILE 109 HB ILE 109 -6.766 -1.159 7.994 761 HG12 ILE 109 HG12 ILE 109 -4.925 -3.188 6.719 762 HG13 ILE 109 HG11 ILE 109 -5.534 -1.757 5.895 763 HG21 ILE 109 HG21 ILE 109 -5.326 -2.458 9.524 764 HG22 ILE 109 HG22 ILE 109 -6.009 -3.945 8.862 765 HG23 ILE 109 HG23 ILE 109 -7.042 -2.809 9.731 766 HD11 ILE 109 HD11 ILE 109 -4.112 -0.386 6.959 767 HD12 ILE 109 HD12 ILE 109 -3.185 -1.869 7.188 768 HD13 ILE 109 HD13 ILE 109 -4.225 -1.271 8.480 769 H GLN 110 H GLN 110 -9.129 -1.137 8.263 770 HA GLN 110 HA GLN 110 -10.177 -2.783 10.296 771 HB2 GLN 110 HB2 GLN 110 -10.032 -0.189 10.148 772 HB3 GLN 110 HB1 GLN 110 -11.584 -0.312 9.330 773 HG2 GLN 110 HG2 GLN 110 -11.726 -1.896 11.668 774 HG3 GLN 110 HG1 GLN 110 -11.022 -0.343 12.114 775 HE21 GLN 110 HE21 GLN 110 -12.247 1.447 10.596 776 HE22 GLN 110 HE22 GLN 110 -13.955 1.447 10.862 777 H GLU 111 H GLU 111 -11.342 -1.937 7.092 778 HA GLU 111 HA GLU 111 -13.975 -2.807 7.288 779 HB2 GLU 111 HB2 GLU 111 -13.130 -1.658 5.305 780 HB3 GLU 111 HB1 GLU 111 -12.086 -3.023 4.932 781 HG2 GLU 111 HG2 GLU 111 -13.722 -4.128 3.908 782 HG3 GLU 111 HG1 GLU 111 -14.876 -3.788 5.197 783 H TYR 112 H TYR 112 -11.021 -4.623 6.675 784 HA TYR 112 HA TYR 112 -12.350 -7.133 6.362 785 HB2 TYR 112 HB2 TYR 112 -9.961 -6.426 5.573 786 HB3 TYR 112 HB1 TYR 112 -9.475 -6.872 7.205 787 HD1 TYR 112 HD1 TYR 112 -11.957 -8.471 4.928 788 HD2 TYR 112 HD2 TYR 112 -8.246 -8.837 6.976 789 HE1 TYR 112 HE1 TYR 112 -11.813 -10.824 4.233 790 HE2 TYR 112 HE2 TYR 112 -8.092 -11.192 6.286 791 HH TYR 112 HH TYR 112 -9.003 -12.631 4.429 792 H ASP 113 H ASP 113 -10.966 -5.317 9.022 793 HA ASP 113 HA ASP 113 -10.920 -7.363 10.948 794 HB2 ASP 113 HB2 ASP 113 -9.913 -5.043 11.159 795 HB3 ASP 113 HB1 ASP 113 -11.538 -4.456 11.495 796 H ASN 114 H ASN 114 -13.482 -5.368 9.668 797 HA ASN 114 HA ASN 114 -15.405 -6.187 11.660 798 HB2 ASN 114 HB2 ASN 114 -15.255 -3.990 10.106 799 HB3 ASN 114 HB1 ASN 114 -16.327 -4.975 9.114 800 HD21 ASN 114 HD21 ASN 114 -15.878 -3.890 12.455 801 HD22 ASN 114 HD22 ASN 114 -17.560 -3.710 12.806 802 H ILE 115 H ILE 115 -14.476 -7.099 8.402 803 HA ILE 115 HA ILE 115 -16.757 -8.756 7.921 804 HB ILE 115 HB ILE 115 -14.058 -8.755 6.564 805 HG12 ILE 115 HG12 ILE 115 -16.537 -7.610 5.352 806 HG13 ILE 115 HG11 ILE 115 -15.687 -6.664 6.570 807 HG21 ILE 115 HG21 ILE 115 -15.774 -9.666 4.704 808 HG22 ILE 115 HG22 ILE 115 -16.514 -10.328 6.160 809 HG23 ILE 115 HG23 ILE 115 -14.839 -10.714 5.769 810 HD11 ILE 115 HD11 ILE 115 -15.013 -7.177 3.793 811 HD12 ILE 115 HD12 ILE 115 -13.666 -7.455 4.897 812 HD13 ILE 115 HD13 ILE 115 -14.479 -5.890 4.875 813 H ALA 116 H ALA 116 -13.552 -9.244 9.256 814 HA ALA 116 HA ALA 116 -14.008 -12.120 9.469 815 HB1 ALA 116 HB1 ALA 116 -11.521 -10.968 10.551 816 HB2 ALA 116 HB2 ALA 116 -11.768 -10.783 8.814 817 HB3 ALA 116 HB3 ALA 116 -11.769 -12.391 9.539 818 H LYS 117 H LYS 117 -15.668 -10.464 11.042 819 HA LYS 117 HA LYS 117 -14.649 -10.316 13.717 820 HB2 LYS 117 HB2 LYS 117 -17.271 -9.795 12.395 821 HB3 LYS 117 HB1 LYS 117 -17.252 -10.037 14.136 822 HG2 LYS 117 HG2 LYS 117 -15.184 -8.243 13.653 823 HG3 LYS 117 HG1 LYS 117 -16.492 -7.727 12.589 824 HD2 LYS 117 HD2 LYS 117 -17.054 -6.592 14.497 825 HD3 LYS 117 HD1 LYS 117 -17.946 -8.092 14.757 826 HE2 LYS 117 HE2 LYS 117 -15.954 -8.930 16.042 827 HE3 LYS 117 HE1 LYS 117 -15.287 -7.302 15.934 828 HZ1 LYS 117 HZ1 LYS 117 -16.421 -7.581 18.017 829 HZ2 LYS 117 HZ2 LYS 117 -17.840 -8.075 17.239 830 HZ3 LYS 117 HZ3 LYS 117 -17.291 -6.484 17.066 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -18.455 9.469 4.972 2 H2 MET 1 HT2 MET 1 -18.500 8.827 3.381 3 H3 MET 1 HT3 MET 1 -17.053 9.524 3.986 4 HA MET 1 HA MET 1 -16.679 7.810 5.441 5 HB2 MET 1 HB2 MET 1 -18.352 6.110 5.939 6 HB3 MET 1 HB1 MET 1 -19.001 7.711 6.264 7 HG2 MET 1 HG2 MET 1 -20.772 7.008 5.112 8 HG3 MET 1 HG1 MET 1 -19.781 7.328 3.690 9 HE1 MET 1 HE1 MET 1 -21.368 4.720 6.034 10 HE2 MET 1 HE2 MET 1 -21.633 3.449 4.840 11 HE3 MET 1 HE3 MET 1 -22.304 5.059 4.579 12 H ASP 2 H ASP 2 -15.295 6.421 4.558 13 HA ASP 2 HA ASP 2 -15.574 5.676 1.782 14 HB2 ASP 2 HB2 ASP 2 -13.423 5.171 3.843 15 HB3 ASP 2 HB1 ASP 2 -13.345 4.536 2.202 16 H ARG 3 H ARG 3 -16.596 3.916 1.117 17 HA ARG 3 HA ARG 3 -16.561 1.529 2.820 18 HB2 ARG 3 HB2 ARG 3 -18.834 3.108 2.231 19 HB3 ARG 3 HB1 ARG 3 -18.997 1.622 1.305 20 HG2 ARG 3 HG2 ARG 3 -18.280 0.596 3.676 21 HG3 ARG 3 HG1 ARG 3 -19.091 2.067 4.216 22 HD2 ARG 3 HD2 ARG 3 -21.045 1.427 2.817 23 HD3 ARG 3 HD1 ARG 3 -20.234 -0.095 2.452 24 HE ARG 3 HE ARG 3 -20.500 0.412 5.265 25 HH11 ARG 3 HH11 ARG 3 -22.084 -0.883 2.439 26 HH12 ARG 3 HH12 ARG 3 -23.131 -1.922 3.347 27 HH21 ARG 3 HH21 ARG 3 -21.877 -0.952 6.462 28 HH22 ARG 3 HH22 ARG 3 -23.015 -1.960 5.631 29 H LYS 4 H LYS 4 -17.197 2.804 -0.430 30 HA LYS 4 HA LYS 4 -17.037 0.290 -1.734 31 HB2 LYS 4 HB2 LYS 4 -17.869 2.756 -2.495 32 HB3 LYS 4 HB1 LYS 4 -16.296 2.703 -3.279 33 HG2 LYS 4 HG2 LYS 4 -16.891 0.769 -4.524 34 HG3 LYS 4 HG1 LYS 4 -18.374 0.552 -3.593 35 HD2 LYS 4 HD2 LYS 4 -17.756 2.880 -5.411 36 HD3 LYS 4 HD1 LYS 4 -18.826 1.528 -5.795 37 HE2 LYS 4 HE2 LYS 4 -20.423 2.924 -5.031 38 HE3 LYS 4 HE1 LYS 4 -19.894 2.333 -3.457 39 HZ1 LYS 4 HZ1 LYS 4 -19.535 4.942 -4.674 40 HZ2 LYS 4 HZ2 LYS 4 -18.195 4.345 -3.833 41 HZ3 LYS 4 HZ3 LYS 4 -19.680 4.518 -3.043 42 H VAL 5 H VAL 5 -14.663 2.695 -0.825 43 HA VAL 5 HA VAL 5 -12.524 1.993 -2.437 44 HB VAL 5 HB VAL 5 -12.327 2.712 0.492 45 HG11 VAL 5 HG11 VAL 5 -10.300 3.654 -1.411 46 HG12 VAL 5 HG12 VAL 5 -10.329 1.909 -1.157 47 HG13 VAL 5 HG13 VAL 5 -10.116 2.996 0.216 48 HG21 VAL 5 HG21 VAL 5 -11.916 4.850 -1.447 49 HG22 VAL 5 HG22 VAL 5 -12.863 4.836 0.039 50 HG23 VAL 5 HG23 VAL 5 -13.558 4.210 -1.455 51 H ALA 6 H ALA 6 -13.801 0.427 0.427 52 HA ALA 6 HA ALA 6 -11.673 -1.454 0.712 53 HB1 ALA 6 HB1 ALA 6 -14.304 -0.989 1.970 54 HB2 ALA 6 HB2 ALA 6 -12.737 -1.328 2.706 55 HB3 ALA 6 HB3 ALA 6 -13.692 -2.642 2.020 56 H ARG 7 H ARG 7 -14.826 -1.451 -0.862 57 HA ARG 7 HA ARG 7 -14.834 -4.202 -1.560 58 HB2 ARG 7 HB2 ARG 7 -16.623 -2.074 -1.749 59 HB3 ARG 7 HB1 ARG 7 -16.291 -2.506 -3.421 60 HG2 ARG 7 HG2 ARG 7 -18.009 -3.922 -3.052 61 HG3 ARG 7 HG1 ARG 7 -16.709 -4.950 -2.446 62 HD2 ARG 7 HD2 ARG 7 -17.505 -4.889 -0.360 63 HD3 ARG 7 HD1 ARG 7 -17.723 -3.140 -0.413 64 HE ARG 7 HE ARG 7 -19.776 -4.116 -1.914 65 HH11 ARG 7 HH11 ARG 7 -18.645 -4.682 1.339 66 HH12 ARG 7 HH12 ARG 7 -20.222 -5.044 1.958 67 HH21 ARG 7 HH21 ARG 7 -21.850 -4.594 -1.102 68 HH22 ARG 7 HH22 ARG 7 -22.041 -4.995 0.572 69 H GLU 8 H GLU 8 -13.678 -1.300 -3.178 70 HA GLU 8 HA GLU 8 -13.081 -2.610 -5.639 71 HB2 GLU 8 HB2 GLU 8 -12.906 0.064 -4.562 72 HB3 GLU 8 HB1 GLU 8 -11.425 -0.345 -5.416 73 HG2 GLU 8 HG2 GLU 8 -12.801 -0.999 -7.374 74 HG3 GLU 8 HG1 GLU 8 -14.224 -0.413 -6.513 75 H PHE 9 H PHE 9 -11.215 -1.770 -2.759 76 HA PHE 9 HA PHE 9 -8.715 -2.647 -3.776 77 HB2 PHE 9 HB2 PHE 9 -9.010 -1.107 -1.818 78 HB3 PHE 9 HB1 PHE 9 -9.567 -2.487 -0.879 79 HD1 PHE 9 HD2 PHE 9 -6.784 -2.302 -3.334 80 HD2 PHE 9 HD1 PHE 9 -7.927 -2.779 0.738 81 HE1 PHE 9 HE2 PHE 9 -4.456 -2.838 -2.747 82 HE2 PHE 9 HE1 PHE 9 -5.600 -3.315 1.332 83 HZ PHE 9 HZ PHE 9 -3.861 -3.347 -0.412 84 H ARG 10 H ARG 10 -11.221 -4.182 -1.799 85 HA ARG 10 HA ARG 10 -9.797 -6.637 -1.507 86 HB2 ARG 10 HB2 ARG 10 -11.828 -7.505 -0.522 87 HB3 ARG 10 HB1 ARG 10 -11.529 -5.888 0.096 88 HG2 ARG 10 HG2 ARG 10 -13.738 -5.687 -0.334 89 HG3 ARG 10 HG1 ARG 10 -13.124 -5.240 -1.925 90 HD2 ARG 10 HD2 ARG 10 -13.261 -7.890 -2.251 91 HD3 ARG 10 HD1 ARG 10 -14.533 -7.690 -1.046 92 HE ARG 10 HE ARG 10 -14.743 -5.853 -3.242 93 HH11 ARG 10 HH11 ARG 10 -15.534 -9.062 -2.121 94 HH12 ARG 10 HH12 ARG 10 -16.884 -9.239 -3.191 95 HH21 ARG 10 HH21 ARG 10 -16.519 -6.083 -4.650 96 HH22 ARG 10 HH22 ARG 10 -17.443 -7.548 -4.626 97 H HIS 11 H HIS 11 -12.322 -5.467 -3.704 98 HA HIS 11 HA HIS 11 -12.817 -7.941 -4.968 99 HB2 HIS 11 HB2 HIS 11 -14.323 -6.004 -5.184 100 HB3 HIS 11 HB1 HIS 11 -13.090 -5.150 -6.107 101 HD1 HIS 11 HD1 HIS 11 -15.263 -5.158 -7.826 102 HD2 HIS 11 HD2 HIS 11 -13.172 -8.713 -7.319 103 HE1 HIS 11 HE1 HIS 11 -15.868 -6.582 -9.809 104 HE2 HIS 11 HE2 HIS 11 -14.536 -8.700 -9.517 105 H LYS 12 H LYS 12 -10.603 -5.286 -5.782 106 HA LYS 12 HA LYS 12 -9.595 -6.373 -8.158 107 HB2 LYS 12 HB2 LYS 12 -8.873 -4.226 -6.324 108 HB3 LYS 12 HB1 LYS 12 -7.458 -5.000 -7.023 109 HG2 LYS 12 HG2 LYS 12 -9.638 -4.312 -8.892 110 HG3 LYS 12 HG1 LYS 12 -8.742 -2.966 -8.182 111 HD2 LYS 12 HD2 LYS 12 -6.744 -4.713 -8.891 112 HD3 LYS 12 HD1 LYS 12 -7.917 -4.922 -10.193 113 HE2 LYS 12 HE2 LYS 12 -6.581 -3.189 -10.966 114 HE3 LYS 12 HE1 LYS 12 -7.960 -2.344 -10.265 115 HZ1 LYS 12 HZ1 LYS 12 -5.192 -2.477 -9.340 116 HZ2 LYS 12 HZ2 LYS 12 -6.399 -2.416 -8.155 117 HZ3 LYS 12 HZ3 LYS 12 -6.283 -1.184 -9.308 118 H VAL 13 H VAL 13 -8.312 -6.566 -4.842 119 HA VAL 13 HA VAL 13 -6.103 -8.161 -5.332 120 HB VAL 13 HB VAL 13 -7.887 -8.251 -2.892 121 HG11 VAL 13 HG11 VAL 13 -5.153 -9.325 -3.466 122 HG12 VAL 13 HG12 VAL 13 -6.516 -10.108 -2.669 123 HG13 VAL 13 HG13 VAL 13 -5.605 -8.856 -1.826 124 HG21 VAL 13 HG21 VAL 13 -6.637 -6.054 -3.829 125 HG22 VAL 13 HG22 VAL 13 -5.348 -6.755 -2.850 126 HG23 VAL 13 HG23 VAL 13 -6.905 -6.373 -2.116 127 H ASP 14 H ASP 14 -9.479 -9.070 -4.920 128 HA ASP 14 HA ASP 14 -8.988 -11.879 -4.864 129 HB2 ASP 14 HB2 ASP 14 -11.048 -10.681 -3.972 130 HB3 ASP 14 HB1 ASP 14 -11.577 -10.540 -5.647 131 H PHE 15 H PHE 15 -9.460 -9.516 -7.388 132 HA PHE 15 HA PHE 15 -10.115 -11.348 -9.460 133 HB2 PHE 15 HB2 PHE 15 -10.256 -8.679 -9.281 134 HB3 PHE 15 HB1 PHE 15 -8.721 -8.812 -10.133 135 HD1 PHE 15 HD1 PHE 15 -8.623 -9.787 -12.370 136 HD2 PHE 15 HD2 PHE 15 -12.324 -9.245 -10.341 137 HE1 PHE 15 HE1 PHE 15 -9.827 -10.091 -14.493 138 HE2 PHE 15 HE2 PHE 15 -13.535 -9.549 -12.461 139 HZ PHE 15 HZ PHE 15 -12.286 -9.972 -14.541 140 H LEU 16 H LEU 16 -7.140 -10.136 -8.112 141 HA LEU 16 HA LEU 16 -5.548 -11.397 -10.199 142 HB2 LEU 16 HB2 LEU 16 -4.283 -10.131 -7.832 143 HB3 LEU 16 HB1 LEU 16 -3.787 -10.106 -9.512 144 HG LEU 16 HG LEU 16 -6.261 -8.619 -8.738 145 HD11 LEU 16 HD11 LEU 16 -5.069 -6.718 -8.003 146 HD12 LEU 16 HD12 LEU 16 -3.515 -7.433 -8.430 147 HD13 LEU 16 HD13 LEU 16 -4.441 -8.078 -7.074 148 HD21 LEU 16 HD21 LEU 16 -6.010 -8.338 -10.966 149 HD22 LEU 16 HD22 LEU 16 -4.275 -8.656 -10.922 150 HD23 LEU 16 HD23 LEU 16 -4.893 -7.071 -10.455 151 H ILE 17 H ILE 17 -6.065 -11.621 -6.718 152 HA ILE 17 HA ILE 17 -4.348 -13.948 -6.513 153 HB ILE 17 HB ILE 17 -5.861 -12.321 -4.485 154 HG12 ILE 17 HG12 ILE 17 -3.478 -12.185 -3.565 155 HG13 ILE 17 HG11 ILE 17 -2.971 -12.861 -5.107 156 HG21 ILE 17 HG21 ILE 17 -4.345 -13.993 -2.970 157 HG22 ILE 17 HG22 ILE 17 -4.907 -15.084 -4.238 158 HG23 ILE 17 HG23 ILE 17 -6.072 -14.189 -3.258 159 HD11 ILE 17 HD11 ILE 17 -3.611 -10.156 -4.432 160 HD12 ILE 17 HD12 ILE 17 -4.658 -10.719 -5.732 161 HD13 ILE 17 HD13 ILE 17 -2.908 -10.804 -5.913 162 H GLU 18 H GLU 18 -7.695 -13.284 -5.527 163 HA GLU 18 HA GLU 18 -9.521 -14.578 -5.443 164 HB2 GLU 18 HB2 GLU 18 -9.215 -14.733 -7.858 165 HB3 GLU 18 HB1 GLU 18 -8.125 -16.098 -7.637 166 HG2 GLU 18 HG2 GLU 18 -9.833 -17.500 -6.935 167 HG3 GLU 18 HG1 GLU 18 -10.931 -16.154 -6.633 168 H ASN 19 H ASN 19 -6.729 -15.516 -4.359 169 HA ASN 19 HA ASN 19 -7.579 -18.181 -3.494 170 HB2 ASN 19 HB2 ASN 19 -5.115 -17.270 -4.445 171 HB3 ASN 19 HB1 ASN 19 -4.876 -17.460 -2.711 172 HD21 ASN 19 HD21 ASN 19 -4.581 -19.438 -1.911 173 HD22 ASN 19 HD22 ASN 19 -4.727 -20.905 -2.809 174 H ASP 20 H ASP 20 -7.975 -18.621 -1.390 175 HA ASP 20 HA ASP 20 -8.414 -16.474 0.406 176 HB2 ASP 20 HB2 ASP 20 -8.815 -18.352 2.077 177 HB3 ASP 20 HB1 ASP 20 -9.831 -18.360 0.639 178 H ALA 21 H ALA 21 -6.030 -19.125 0.431 179 HA ALA 21 HA ALA 21 -4.661 -18.330 2.735 180 HB1 ALA 21 HB1 ALA 21 -3.252 -20.034 2.285 181 HB2 ALA 21 HB2 ALA 21 -3.037 -19.553 0.601 182 HB3 ALA 21 HB3 ALA 21 -4.478 -20.449 1.087 183 H GLU 22 H GLU 22 -4.146 -17.479 -0.655 184 HA GLU 22 HA GLU 22 -1.834 -15.902 -0.183 185 HB2 GLU 22 HB2 GLU 22 -3.793 -15.816 -2.488 186 HB3 GLU 22 HB1 GLU 22 -2.215 -15.045 -2.474 187 HG2 GLU 22 HG2 GLU 22 -1.186 -17.285 -2.200 188 HG3 GLU 22 HG1 GLU 22 -2.789 -17.997 -2.371 189 H LYS 23 H LYS 23 -5.283 -15.141 -0.458 190 HA LYS 23 HA LYS 23 -5.037 -12.342 -0.287 191 HB2 LYS 23 HB2 LYS 23 -7.143 -13.698 -0.810 192 HB3 LYS 23 HB1 LYS 23 -7.290 -13.954 0.923 193 HG2 LYS 23 HG2 LYS 23 -7.708 -11.696 1.338 194 HG3 LYS 23 HG1 LYS 23 -7.088 -11.199 -0.236 195 HD2 LYS 23 HD2 LYS 23 -9.489 -12.982 -0.011 196 HD3 LYS 23 HD1 LYS 23 -9.641 -11.229 0.136 197 HE2 LYS 23 HE2 LYS 23 -9.979 -11.478 -2.113 198 HE3 LYS 23 HE1 LYS 23 -8.231 -11.255 -2.084 199 HZ1 LYS 23 HZ1 LYS 23 -7.858 -13.386 -2.678 200 HZ2 LYS 23 HZ2 LYS 23 -9.407 -13.258 -3.346 201 HZ3 LYS 23 HZ3 LYS 23 -9.196 -13.991 -1.837 202 H ASP 24 H ASP 24 -4.800 -14.899 2.034 203 HA ASP 24 HA ASP 24 -5.062 -13.339 4.380 204 HB2 ASP 24 HB2 ASP 24 -4.431 -16.084 3.701 205 HB3 ASP 24 HB1 ASP 24 -3.370 -15.497 4.978 206 H TYR 25 H TYR 25 -2.171 -14.560 2.620 207 HA TYR 25 HA TYR 25 -0.411 -13.137 4.321 208 HB2 TYR 25 HB2 TYR 25 1.377 -13.668 2.733 209 HB3 TYR 25 HB1 TYR 25 0.427 -15.076 3.154 210 HD1 TYR 25 HD2 TYR 25 -0.053 -12.459 0.473 211 HD2 TYR 25 HD1 TYR 25 0.580 -16.553 1.454 212 HE1 TYR 25 HE2 TYR 25 -0.257 -13.059 -1.893 213 HE2 TYR 25 HE1 TYR 25 0.412 -17.152 -0.921 214 HH TYR 25 HH TYR 25 0.693 -16.059 -3.119 215 H LEU 26 H LEU 26 -2.051 -12.259 1.375 216 HA LEU 26 HA LEU 26 -0.517 -9.884 0.956 217 HB2 LEU 26 HB2 LEU 26 -2.191 -11.108 -0.668 218 HB3 LEU 26 HB1 LEU 26 -3.390 -10.102 0.121 219 HG LEU 26 HG LEU 26 -1.062 -9.229 -1.573 220 HD11 LEU 26 HD11 LEU 26 -3.596 -9.826 -2.274 221 HD12 LEU 26 HD12 LEU 26 -2.591 -8.645 -3.114 222 HD13 LEU 26 HD13 LEU 26 -3.760 -8.109 -1.907 223 HD21 LEU 26 HD21 LEU 26 -0.921 -7.695 0.190 224 HD22 LEU 26 HD22 LEU 26 -2.670 -7.633 0.397 225 HD23 LEU 26 HD23 LEU 26 -1.922 -6.883 -1.013 226 H TYR 27 H TYR 27 -3.613 -10.630 2.502 227 HA TYR 27 HA TYR 27 -4.147 -8.031 3.447 228 HB2 TYR 27 HB2 TYR 27 -5.077 -10.765 4.101 229 HB3 TYR 27 HB1 TYR 27 -5.221 -9.590 5.401 230 HD1 TYR 27 HD2 TYR 27 -5.975 -7.138 4.117 231 HD2 TYR 27 HD1 TYR 27 -7.161 -11.111 3.165 232 HE1 TYR 27 HE2 TYR 27 -8.047 -6.274 3.113 233 HE2 TYR 27 HE1 TYR 27 -9.235 -10.257 2.157 234 HH TYR 27 HH TYR 27 -10.360 -7.139 2.630 235 H ASP 28 H ASP 28 -1.982 -10.567 4.478 236 HA ASP 28 HA ASP 28 -1.435 -9.497 7.067 237 HB2 ASP 28 HB2 ASP 28 -0.938 -11.887 5.905 238 HB3 ASP 28 HB1 ASP 28 0.637 -11.124 5.707 239 H VAL 29 H VAL 29 -0.097 -9.076 3.827 240 HA VAL 29 HA VAL 29 2.263 -7.724 4.576 241 HB VAL 29 HB VAL 29 0.636 -7.397 2.046 242 HG11 VAL 29 HG11 VAL 29 3.138 -6.895 1.268 243 HG12 VAL 29 HG12 VAL 29 3.247 -6.315 2.930 244 HG13 VAL 29 HG13 VAL 29 2.048 -5.630 1.834 245 HG21 VAL 29 HG21 VAL 29 2.763 -8.895 1.341 246 HG22 VAL 29 HG22 VAL 29 1.207 -9.569 1.821 247 HG23 VAL 29 HG23 VAL 29 2.518 -9.456 2.995 248 H LEU 30 H LEU 30 -0.888 -6.423 3.523 249 HA LEU 30 HA LEU 30 -0.245 -3.721 3.961 250 HB2 LEU 30 HB2 LEU 30 -2.974 -5.007 4.127 251 HB3 LEU 30 HB1 LEU 30 -2.640 -3.307 3.859 252 HG LEU 30 HG LEU 30 -1.452 -5.164 1.891 253 HD11 LEU 30 HD11 LEU 30 -4.425 -4.731 2.108 254 HD12 LEU 30 HD12 LEU 30 -3.560 -6.268 2.139 255 HD13 LEU 30 HD13 LEU 30 -3.609 -5.314 0.656 256 HD21 LEU 30 HD21 LEU 30 -1.796 -3.406 0.415 257 HD22 LEU 30 HD22 LEU 30 -1.466 -2.582 1.940 258 HD23 LEU 30 HD23 LEU 30 -3.124 -2.738 1.362 259 H ARG 31 H ARG 31 -1.643 -6.194 6.038 260 HA ARG 31 HA ARG 31 -2.304 -4.537 8.215 261 HB2 ARG 31 HB2 ARG 31 -2.955 -6.999 7.760 262 HB3 ARG 31 HB1 ARG 31 -1.423 -7.396 8.526 263 HG2 ARG 31 HG2 ARG 31 -2.153 -6.838 10.591 264 HG3 ARG 31 HG1 ARG 31 -3.192 -5.542 9.994 265 HD2 ARG 31 HD2 ARG 31 -4.428 -7.478 10.962 266 HD3 ARG 31 HD1 ARG 31 -4.857 -7.107 9.292 267 HE ARG 31 HE ARG 31 -2.882 -9.014 9.144 268 HH11 ARG 31 HH11 ARG 31 -6.060 -8.789 10.570 269 HH12 ARG 31 HH12 ARG 31 -6.388 -10.481 10.407 270 HH21 ARG 31 HH21 ARG 31 -3.313 -11.239 8.929 271 HH22 ARG 31 HH22 ARG 31 -4.830 -11.873 9.475 272 H MET 32 H MET 32 0.658 -6.268 7.360 273 HA MET 32 HA MET 32 2.031 -5.647 9.777 274 HB2 MET 32 HB2 MET 32 2.530 -7.196 7.467 275 HB3 MET 32 HB1 MET 32 3.843 -6.033 7.577 276 HG2 MET 32 HG2 MET 32 3.126 -7.405 10.080 277 HG3 MET 32 HG1 MET 32 3.837 -8.409 8.819 278 HE1 MET 32 HE1 MET 32 4.404 -6.520 11.794 279 HE2 MET 32 HE2 MET 32 6.163 -6.429 11.860 280 HE3 MET 32 HE3 MET 32 5.368 -7.994 11.700 281 H TYR 33 H TYR 33 1.905 -4.192 6.561 282 HA TYR 33 HA TYR 33 3.882 -2.245 6.915 283 HB2 TYR 33 HB2 TYR 33 2.984 -2.740 4.718 284 HB3 TYR 33 HB1 TYR 33 1.384 -2.199 5.211 285 HD1 TYR 33 HD2 TYR 33 4.477 -0.412 6.119 286 HD2 TYR 33 HD1 TYR 33 1.140 -0.555 3.483 287 HE1 TYR 33 HE2 TYR 33 5.009 1.855 5.333 288 HE2 TYR 33 HE1 TYR 33 1.663 1.713 2.690 289 HH TYR 33 HH TYR 33 3.515 3.241 2.573 290 H HIS 34 H HIS 34 0.540 -2.359 7.930 291 HA HIS 34 HA HIS 34 0.498 0.429 8.707 292 HB2 HIS 34 HB2 HIS 34 -1.474 -1.200 7.924 293 HB3 HIS 34 HB1 HIS 34 -1.597 -1.453 9.660 294 HD1 HIS 34 HD1 HIS 34 -1.759 1.337 7.109 295 HD2 HIS 34 HD2 HIS 34 -2.892 0.534 11.025 296 HE1 HIS 34 HE1 HIS 34 -3.178 3.290 7.812 297 HE2 HIS 34 HE2 HIS 34 -3.921 2.741 10.156 298 H GLN 35 H GLN 35 1.032 -2.682 10.192 299 HA GLN 35 HA GLN 35 0.794 -1.724 12.886 300 HB2 GLN 35 HB2 GLN 35 1.326 -4.282 11.557 301 HB3 GLN 35 HB1 GLN 35 2.206 -4.070 13.066 302 HG2 GLN 35 HG2 GLN 35 -0.604 -3.313 13.244 303 HG3 GLN 35 HG1 GLN 35 -0.350 -5.006 12.819 304 HE21 GLN 35 HE21 GLN 35 -1.457 -5.139 14.987 305 HE22 GLN 35 HE22 GLN 35 -0.437 -5.201 16.379 306 H THR 36 H THR 36 3.566 -3.034 11.089 307 HA THR 36 HA THR 36 5.453 -1.968 12.949 308 HB THR 36 HB THR 36 5.917 -4.021 11.707 309 HG1 THR 36 HG1 THR 36 7.675 -2.677 12.361 310 HG21 THR 36 HG21 THR 36 5.314 -2.371 9.391 311 HG22 THR 36 HG22 THR 36 5.319 -4.127 9.571 312 HG23 THR 36 HG23 THR 36 6.824 -3.271 9.240 313 H MET 37 H MET 37 3.907 -0.740 10.126 314 HA MET 37 HA MET 37 4.049 1.248 9.029 315 HB2 MET 37 HB2 MET 37 5.273 1.866 11.679 316 HB3 MET 37 HB1 MET 37 5.427 3.055 10.394 317 HG2 MET 37 HG2 MET 37 2.843 1.921 11.441 318 HG3 MET 37 HG1 MET 37 3.509 3.506 11.826 319 HE1 MET 37 HE1 MET 37 0.860 2.414 10.855 320 HE2 MET 37 HE2 MET 37 0.481 2.511 9.135 321 HE3 MET 37 HE3 MET 37 0.357 3.950 10.147 322 H ASP 38 H ASP 38 5.803 -0.671 8.182 323 HA ASP 38 HA ASP 38 8.186 0.917 7.485 324 HB2 ASP 38 HB2 ASP 38 8.335 -1.283 9.016 325 HB3 ASP 38 HB1 ASP 38 8.385 -2.043 7.428 326 H VAL 39 H VAL 39 8.031 1.504 5.431 327 HA VAL 39 HA VAL 39 6.368 0.217 3.531 328 HB VAL 39 HB VAL 39 8.640 2.118 2.947 329 HG11 VAL 39 HG11 VAL 39 6.374 2.449 1.257 330 HG12 VAL 39 HG12 VAL 39 6.810 0.740 1.279 331 HG13 VAL 39 HG13 VAL 39 8.009 1.951 0.826 332 HG21 VAL 39 HG21 VAL 39 5.867 3.122 3.128 333 HG22 VAL 39 HG22 VAL 39 7.388 3.901 3.561 334 HG23 VAL 39 HG23 VAL 39 6.660 2.723 4.652 335 H ALA 40 H ALA 40 9.644 -0.276 4.522 336 HA ALA 40 HA ALA 40 10.534 -1.586 2.144 337 HB1 ALA 40 HB1 ALA 40 12.297 -0.749 3.380 338 HB2 ALA 40 HB2 ALA 40 12.329 -2.455 3.822 339 HB3 ALA 40 HB3 ALA 40 11.609 -1.272 4.915 340 H VAL 41 H VAL 41 8.870 -2.523 5.047 341 HA VAL 41 HA VAL 41 9.294 -5.334 4.672 342 HB VAL 41 HB VAL 41 7.321 -3.907 6.463 343 HG11 VAL 41 HG11 VAL 41 7.368 -6.104 7.707 344 HG12 VAL 41 HG12 VAL 41 8.160 -6.793 6.290 345 HG13 VAL 41 HG13 VAL 41 6.535 -6.122 6.153 346 HG21 VAL 41 HG21 VAL 41 9.881 -5.212 7.324 347 HG22 VAL 41 HG22 VAL 41 8.883 -4.049 8.195 348 HG23 VAL 41 HG23 VAL 41 9.833 -3.529 6.804 349 H LEU 42 H LEU 42 6.750 -3.005 3.963 350 HA LEU 42 HA LEU 42 4.805 -4.896 3.154 351 HB2 LEU 42 HB2 LEU 42 3.480 -3.113 2.738 352 HB3 LEU 42 HB1 LEU 42 4.703 -2.270 3.664 353 HG LEU 42 HG LEU 42 5.794 -1.825 1.333 354 HD11 LEU 42 HD11 LEU 42 4.637 -2.938 -0.264 355 HD12 LEU 42 HD12 LEU 42 3.657 -1.472 -0.231 356 HD13 LEU 42 HD13 LEU 42 3.128 -2.906 0.649 357 HD21 LEU 42 HD21 LEU 42 4.511 -0.269 2.997 358 HD22 LEU 42 HD22 LEU 42 3.254 -0.324 1.762 359 HD23 LEU 42 HD23 LEU 42 4.862 0.276 1.359 360 H VAL 43 H VAL 43 7.358 -3.154 1.455 361 HA VAL 43 HA VAL 43 6.631 -3.937 -1.161 362 HB VAL 43 HB VAL 43 9.393 -3.263 -0.130 363 HG11 VAL 43 HG11 VAL 43 8.275 -3.143 -2.930 364 HG12 VAL 43 HG12 VAL 43 9.380 -4.378 -2.321 365 HG13 VAL 43 HG13 VAL 43 9.908 -2.699 -2.434 366 HG21 VAL 43 HG21 VAL 43 7.226 -1.626 -0.031 367 HG22 VAL 43 HG22 VAL 43 7.879 -1.241 -1.624 368 HG23 VAL 43 HG23 VAL 43 8.892 -1.074 -0.191 369 H GLY 44 H GLY 44 8.954 -5.310 1.170 370 HA2 GLY 44 HA2 GLY 44 9.956 -7.375 -0.404 371 HA3 GLY 44 HA1 GLY 44 9.825 -7.430 1.348 372 H ASP 45 H ASP 45 7.219 -7.526 1.876 373 HA ASP 45 HA ASP 45 6.499 -10.174 1.317 374 HB2 ASP 45 HB2 ASP 45 4.602 -7.964 2.129 375 HB3 ASP 45 HB1 ASP 45 4.417 -9.692 2.421 376 H LEU 46 H LEU 46 5.512 -7.116 -0.162 377 HA LEU 46 HA LEU 46 3.503 -8.104 -1.827 378 HB2 LEU 46 HB2 LEU 46 5.255 -5.710 -1.826 379 HB3 LEU 46 HB1 LEU 46 4.450 -6.101 -3.335 380 HG LEU 46 HG LEU 46 3.120 -5.533 -0.686 381 HD11 LEU 46 HD11 LEU 46 2.685 -3.996 -3.204 382 HD12 LEU 46 HD12 LEU 46 4.119 -3.676 -2.229 383 HD13 LEU 46 HD13 LEU 46 2.514 -3.482 -1.525 384 HD21 LEU 46 HD21 LEU 46 2.176 -7.178 -2.726 385 HD22 LEU 46 HD22 LEU 46 1.378 -5.631 -2.991 386 HD23 LEU 46 HD23 LEU 46 1.229 -6.442 -1.434 387 H LYS 47 H LYS 47 6.978 -8.236 -2.099 388 HA LYS 47 HA LYS 47 7.047 -8.947 -4.865 389 HB2 LYS 47 HB2 LYS 47 9.061 -9.325 -2.640 390 HB3 LYS 47 HB1 LYS 47 9.377 -9.730 -4.320 391 HG2 LYS 47 HG2 LYS 47 8.840 -7.007 -3.166 392 HG3 LYS 47 HG1 LYS 47 10.341 -7.601 -3.875 393 HD2 LYS 47 HD2 LYS 47 8.595 -8.014 -5.914 394 HD3 LYS 47 HD1 LYS 47 7.912 -6.568 -5.168 395 HE2 LYS 47 HE2 LYS 47 9.536 -6.049 -6.954 396 HE3 LYS 47 HE1 LYS 47 10.017 -5.412 -5.382 397 HZ1 LYS 47 HZ1 LYS 47 11.765 -6.824 -5.240 398 HZ2 LYS 47 HZ2 LYS 47 11.678 -6.735 -6.926 399 HZ3 LYS 47 HZ3 LYS 47 11.008 -8.060 -6.115 400 H LEU 48 H LEU 48 7.334 -10.781 -1.834 401 HA LEU 48 HA LEU 48 7.482 -13.339 -2.977 402 HB2 LEU 48 HB2 LEU 48 6.428 -12.420 -0.304 403 HB3 LEU 48 HB1 LEU 48 6.611 -14.109 -0.738 404 HG LEU 48 HG LEU 48 9.055 -12.558 -1.148 405 HD11 LEU 48 HD11 LEU 48 7.894 -12.789 1.623 406 HD12 LEU 48 HD12 LEU 48 8.298 -11.306 0.758 407 HD13 LEU 48 HD13 LEU 48 9.579 -12.407 1.267 408 HD21 LEU 48 HD21 LEU 48 10.079 -14.461 -0.214 409 HD22 LEU 48 HD22 LEU 48 8.721 -15.076 -1.156 410 HD23 LEU 48 HD23 LEU 48 8.595 -14.961 0.599 411 H VAL 49 H VAL 49 4.863 -11.146 -2.676 412 HA VAL 49 HA VAL 49 2.873 -13.247 -3.136 413 HB VAL 49 HB VAL 49 2.600 -10.329 -2.418 414 HG11 VAL 49 HG11 VAL 49 0.095 -11.129 -2.194 415 HG12 VAL 49 HG12 VAL 49 0.588 -12.231 -3.481 416 HG13 VAL 49 HG13 VAL 49 0.731 -10.488 -3.709 417 HG21 VAL 49 HG21 VAL 49 2.204 -12.910 -0.973 418 HG22 VAL 49 HG22 VAL 49 1.316 -11.465 -0.483 419 HG23 VAL 49 HG23 VAL 49 3.079 -11.465 -0.469 420 H ILE 50 H ILE 50 4.496 -10.564 -4.631 421 HA ILE 50 HA ILE 50 2.858 -10.878 -7.043 422 HB ILE 50 HB ILE 50 4.731 -8.614 -6.365 423 HG12 ILE 50 HG12 ILE 50 1.728 -8.448 -6.385 424 HG13 ILE 50 HG11 ILE 50 2.598 -8.933 -4.931 425 HG21 ILE 50 HG21 ILE 50 4.592 -8.398 -8.606 426 HG22 ILE 50 HG22 ILE 50 3.067 -7.607 -8.198 427 HG23 ILE 50 HG23 ILE 50 3.077 -9.296 -8.709 428 HD11 ILE 50 HD11 ILE 50 2.598 -6.303 -6.341 429 HD12 ILE 50 HD12 ILE 50 3.940 -6.761 -5.294 430 HD13 ILE 50 HD13 ILE 50 2.306 -6.663 -4.641 431 H ASN 51 H ASN 51 5.166 -12.535 -6.089 432 HA ASN 51 HA ASN 51 7.490 -12.157 -7.512 433 HB2 ASN 51 HB2 ASN 51 7.688 -14.676 -7.496 434 HB3 ASN 51 HB1 ASN 51 7.381 -13.939 -5.926 435 HD21 ASN 51 HD21 ASN 51 5.943 -15.706 -8.584 436 HD22 ASN 51 HD22 ASN 51 4.610 -16.344 -7.690 437 H GLU 52 H GLU 52 4.370 -13.144 -8.679 438 HA GLU 52 HA GLU 52 5.487 -13.741 -11.326 439 HB2 GLU 52 HB2 GLU 52 2.833 -14.349 -10.040 440 HB3 GLU 52 HB1 GLU 52 3.079 -14.509 -11.774 441 HG2 GLU 52 HG2 GLU 52 5.196 -15.903 -10.792 442 HG3 GLU 52 HG1 GLU 52 3.960 -16.224 -9.576 443 HA PRO 53 HA PRO 53 4.257 -9.877 -13.063 444 HB2 PRO 53 HB2 PRO 53 3.265 -11.422 -15.394 445 HB3 PRO 53 HB1 PRO 53 4.457 -10.119 -15.332 446 HG2 PRO 53 HG2 PRO 53 5.213 -12.649 -15.707 447 HG3 PRO 53 HG1 PRO 53 6.176 -11.542 -14.712 448 HD2 PRO 53 HD2 PRO 53 4.318 -13.726 -13.865 449 HD3 PRO 53 HD1 PRO 53 5.874 -13.231 -13.165 450 H SER 54 H SER 54 2.003 -12.561 -13.046 451 HA SER 54 HA SER 54 -0.322 -11.220 -13.837 452 HB2 SER 54 HB2 SER 54 -0.194 -13.476 -11.829 453 HB3 SER 54 HB1 SER 54 -1.539 -13.061 -12.890 454 HG SER 54 HG SER 54 -0.517 -14.698 -13.906 455 H ARG 55 H ARG 55 1.225 -11.491 -10.681 456 HA ARG 55 HA ARG 55 -0.932 -10.047 -9.382 457 HB2 ARG 55 HB2 ARG 55 1.575 -11.392 -8.457 458 HB3 ARG 55 HB1 ARG 55 0.773 -10.233 -7.405 459 HG2 ARG 55 HG2 ARG 55 -0.884 -11.650 -6.903 460 HG3 ARG 55 HG1 ARG 55 -1.022 -12.229 -8.564 461 HD2 ARG 55 HD2 ARG 55 1.450 -13.159 -7.568 462 HD3 ARG 55 HD1 ARG 55 0.244 -13.468 -6.321 463 HE ARG 55 HE ARG 55 -0.746 -14.279 -8.833 464 HH11 ARG 55 HH11 ARG 55 1.586 -15.206 -6.408 465 HH12 ARG 55 HH12 ARG 55 1.516 -16.891 -6.806 466 HH21 ARG 55 HH21 ARG 55 -0.840 -16.493 -9.357 467 HH22 ARG 55 HH22 ARG 55 0.139 -17.621 -8.480 468 H LEU 56 H LEU 56 1.035 -8.858 -11.450 469 HA LEU 56 HA LEU 56 2.652 -6.963 -10.172 470 HB2 LEU 56 HB2 LEU 56 1.504 -7.274 -12.895 471 HB3 LEU 56 HB1 LEU 56 2.160 -5.706 -12.463 472 HG LEU 56 HG LEU 56 3.782 -8.207 -12.106 473 HD11 LEU 56 HD11 LEU 56 3.466 -8.469 -14.347 474 HD12 LEU 56 HD12 LEU 56 4.793 -7.308 -14.375 475 HD13 LEU 56 HD13 LEU 56 3.134 -6.758 -14.614 476 HD21 LEU 56 HD21 LEU 56 4.227 -5.287 -12.027 477 HD22 LEU 56 HD22 LEU 56 5.502 -6.265 -12.754 478 HD23 LEU 56 HD23 LEU 56 4.985 -6.578 -11.096 479 HA PRO 57 HA PRO 57 -1.331 -4.025 -11.013 480 HB2 PRO 57 HB2 PRO 57 -3.145 -6.124 -9.888 481 HB3 PRO 57 HB1 PRO 57 -3.496 -4.841 -11.053 482 HG2 PRO 57 HG2 PRO 57 -3.135 -7.335 -11.885 483 HG3 PRO 57 HG1 PRO 57 -2.473 -5.973 -12.807 484 HD2 PRO 57 HD2 PRO 57 -1.077 -7.937 -11.060 485 HD3 PRO 57 HD1 PRO 57 -0.497 -7.111 -12.521 486 H LEU 58 H LEU 58 -0.562 -6.254 -8.425 487 HA LEU 58 HA LEU 58 -1.828 -5.064 -6.270 488 HB2 LEU 58 HB2 LEU 58 0.389 -6.883 -6.670 489 HB3 LEU 58 HB1 LEU 58 0.661 -5.841 -5.288 490 HG LEU 58 HG LEU 58 -1.749 -7.613 -5.701 491 HD11 LEU 58 HD11 LEU 58 -0.154 -9.131 -5.106 492 HD12 LEU 58 HD12 LEU 58 -0.644 -8.577 -3.505 493 HD13 LEU 58 HD13 LEU 58 0.821 -7.937 -4.249 494 HD21 LEU 58 HD21 LEU 58 -1.164 -6.431 -3.069 495 HD22 LEU 58 HD22 LEU 58 -2.708 -6.707 -3.875 496 HD23 LEU 58 HD23 LEU 58 -1.727 -5.305 -4.304 497 H PHE 59 H PHE 59 1.235 -4.168 -7.799 498 HA PHE 59 HA PHE 59 2.049 -2.265 -5.902 499 HB2 PHE 59 HB2 PHE 59 2.617 -2.494 -8.860 500 HB3 PHE 59 HB1 PHE 59 3.393 -1.307 -7.815 501 HD1 PHE 59 HD1 PHE 59 4.896 -2.059 -6.002 502 HD2 PHE 59 HD2 PHE 59 3.293 -4.763 -8.869 503 HE1 PHE 59 HE1 PHE 59 6.608 -3.717 -5.389 504 HE2 PHE 59 HE2 PHE 59 5.000 -6.426 -8.261 505 HZ PHE 59 HZ PHE 59 6.660 -5.904 -6.520 506 H ASP 60 H ASP 60 0.266 -1.825 -8.956 507 HA ASP 60 HA ASP 60 -0.145 0.973 -8.501 508 HB2 ASP 60 HB2 ASP 60 -0.237 -0.612 -10.716 509 HB3 ASP 60 HB1 ASP 60 -1.953 -0.402 -10.384 510 H ALA 61 H ALA 61 -1.853 -1.951 -7.771 511 HA ALA 61 HA ALA 61 -4.416 -0.849 -7.327 512 HB1 ALA 61 HB1 ALA 61 -4.864 -2.955 -6.139 513 HB2 ALA 61 HB2 ALA 61 -3.146 -3.348 -6.217 514 HB3 ALA 61 HB3 ALA 61 -4.089 -3.217 -7.702 515 H ILE 62 H ILE 62 -1.784 -1.682 -5.079 516 HA ILE 62 HA ILE 62 -3.171 -0.672 -2.794 517 HB ILE 62 HB ILE 62 -0.212 -1.204 -2.949 518 HG12 ILE 62 HG12 ILE 62 -2.126 -3.297 -2.021 519 HG13 ILE 62 HG11 ILE 62 -1.924 -3.081 -3.754 520 HG21 ILE 62 HG21 ILE 62 -0.729 -1.924 -0.535 521 HG22 ILE 62 HG22 ILE 62 -2.241 -1.041 -0.751 522 HG23 ILE 62 HG23 ILE 62 -0.699 -0.200 -0.904 523 HD11 ILE 62 HD11 ILE 62 -0.282 -4.498 -1.937 524 HD12 ILE 62 HD12 ILE 62 0.652 -3.154 -2.593 525 HD13 ILE 62 HD13 ILE 62 -0.101 -4.319 -3.682 526 H ARG 63 H ARG 63 -0.753 0.621 -4.983 527 HA ARG 63 HA ARG 63 0.327 2.719 -3.680 528 HB2 ARG 63 HB2 ARG 63 -0.247 2.084 -6.442 529 HB3 ARG 63 HB1 ARG 63 -0.311 3.818 -6.166 530 HG2 ARG 63 HG2 ARG 63 1.907 3.975 -5.741 531 HG3 ARG 63 HG1 ARG 63 1.996 2.369 -5.019 532 HD2 ARG 63 HD2 ARG 63 3.092 1.923 -6.957 533 HD3 ARG 63 HD1 ARG 63 1.445 1.650 -7.520 534 HE ARG 63 HE ARG 63 1.582 3.560 -8.802 535 HH11 ARG 63 HH11 ARG 63 4.344 3.380 -6.671 536 HH12 ARG 63 HH12 ARG 63 5.201 4.649 -7.477 537 HH21 ARG 63 HH21 ARG 63 2.710 5.227 -9.859 538 HH22 ARG 63 HH22 ARG 63 4.275 5.698 -9.286 539 HA PRO 64 HA PRO 64 -3.517 5.618 -4.876 540 HB2 PRO 64 HB2 PRO 64 -5.851 4.113 -4.407 541 HB3 PRO 64 HB1 PRO 64 -5.261 4.689 -5.968 542 HG2 PRO 64 HG2 PRO 64 -4.956 2.021 -4.692 543 HG3 PRO 64 HG1 PRO 64 -5.149 2.433 -6.405 544 HD2 PRO 64 HD2 PRO 64 -2.776 1.701 -5.427 545 HD3 PRO 64 HD1 PRO 64 -2.898 2.982 -6.650 546 H LEU 65 H LEU 65 -4.312 2.949 -2.617 547 HA LEU 65 HA LEU 65 -5.227 4.771 -0.612 548 HB2 LEU 65 HB2 LEU 65 -5.350 2.779 0.840 549 HB3 LEU 65 HB1 LEU 65 -6.189 2.579 -0.686 550 HG LEU 65 HG LEU 65 -3.398 1.608 -0.612 551 HD11 LEU 65 HD11 LEU 65 -4.582 1.006 1.618 552 HD12 LEU 65 HD12 LEU 65 -3.735 -0.248 0.714 553 HD13 LEU 65 HD13 LEU 65 -5.493 -0.128 0.621 554 HD21 LEU 65 HD21 LEU 65 -5.946 1.040 -1.972 555 HD22 LEU 65 HD22 LEU 65 -4.941 -0.367 -1.623 556 HD23 LEU 65 HD23 LEU 65 -4.291 0.965 -2.578 557 H ILE 66 H ILE 66 -2.157 3.910 -1.622 558 HA ILE 66 HA ILE 66 -0.887 4.030 0.972 559 HB ILE 66 HB ILE 66 0.139 3.728 -1.837 560 HG12 ILE 66 HG12 ILE 66 0.431 2.027 0.645 561 HG13 ILE 66 HG11 ILE 66 -0.740 1.753 -0.643 562 HG21 ILE 66 HG21 ILE 66 1.785 5.148 -0.942 563 HG22 ILE 66 HG22 ILE 66 2.430 3.515 -0.774 564 HG23 ILE 66 HG23 ILE 66 1.743 4.340 0.626 565 HD11 ILE 66 HD11 ILE 66 1.756 0.639 -0.463 566 HD12 ILE 66 HD12 ILE 66 1.988 1.950 -1.621 567 HD13 ILE 66 HD13 ILE 66 0.760 0.719 -1.916 568 HA PRO 67 HA PRO 67 -0.689 8.491 1.354 569 HB2 PRO 67 HB2 PRO 67 1.984 7.729 2.465 570 HB3 PRO 67 HB1 PRO 67 0.778 8.853 3.105 571 HG2 PRO 67 HG2 PRO 67 1.028 6.422 4.146 572 HG3 PRO 67 HG1 PRO 67 -0.573 7.148 3.918 573 HD2 PRO 67 HD2 PRO 67 0.757 4.974 2.384 574 HD3 PRO 67 HD1 PRO 67 -0.969 5.246 2.698 575 H LEU 68 H LEU 68 0.000 10.053 0.246 576 HA LEU 68 HA LEU 68 1.195 9.841 -2.190 577 HB2 LEU 68 HB2 LEU 68 0.427 11.882 -0.283 578 HB3 LEU 68 HB1 LEU 68 1.765 12.391 -1.295 579 HG LEU 68 HG LEU 68 -0.912 11.409 -2.255 580 HD11 LEU 68 HD11 LEU 68 -1.469 13.516 -1.659 581 HD12 LEU 68 HD12 LEU 68 -0.707 13.915 -3.200 582 HD13 LEU 68 HD13 LEU 68 0.200 14.085 -1.697 583 HD21 LEU 68 HD21 LEU 68 0.859 12.780 -4.143 584 HD22 LEU 68 HD22 LEU 68 -0.136 11.340 -4.360 585 HD23 LEU 68 HD23 LEU 68 1.452 11.210 -3.602 586 H LYS 69 H LYS 69 2.748 10.757 0.889 587 HA LYS 69 HA LYS 69 5.328 11.133 -0.235 588 HB2 LYS 69 HB2 LYS 69 6.115 10.975 2.136 589 HB3 LYS 69 HB1 LYS 69 4.837 12.154 1.882 590 HG2 LYS 69 HG2 LYS 69 3.209 10.707 2.855 591 HG3 LYS 69 HG1 LYS 69 4.356 9.367 2.908 592 HD2 LYS 69 HD2 LYS 69 4.985 10.007 4.941 593 HD3 LYS 69 HD1 LYS 69 5.549 11.538 4.269 594 HE2 LYS 69 HE2 LYS 69 3.996 11.998 6.040 595 HE3 LYS 69 HE1 LYS 69 3.247 12.430 4.503 596 HZ1 LYS 69 HZ1 LYS 69 2.785 9.756 5.630 597 HZ2 LYS 69 HZ2 LYS 69 1.795 10.676 4.613 598 HZ3 LYS 69 HZ3 LYS 69 1.925 11.074 6.252 599 H HIS 70 H HIS 70 3.707 8.415 1.320 600 HA HIS 70 HA HIS 70 5.932 6.664 1.312 601 HB2 HIS 70 HB2 HIS 70 2.960 6.105 1.390 602 HB3 HIS 70 HB1 HIS 70 4.201 4.877 1.616 603 HD1 HIS 70 HD1 HIS 70 2.533 4.957 3.945 604 HD2 HIS 70 HD2 HIS 70 5.551 7.771 3.466 605 HE1 HIS 70 HE1 HIS 70 3.003 5.838 6.252 606 HE2 HIS 70 HE2 HIS 70 4.769 7.604 5.925 607 H GLN 71 H GLN 71 3.532 7.539 -1.064 608 HA GLN 71 HA GLN 71 3.832 5.381 -2.839 609 HB2 GLN 71 HB2 GLN 71 2.991 8.248 -3.195 610 HB3 GLN 71 HB1 GLN 71 3.145 7.176 -4.580 611 HG2 GLN 71 HG2 GLN 71 1.483 5.690 -3.681 612 HG3 GLN 71 HG1 GLN 71 1.397 6.632 -2.194 613 HE21 GLN 71 HE21 GLN 71 -0.126 8.120 -2.069 614 HE22 GLN 71 HE22 GLN 71 -1.000 8.791 -3.398 615 H VAL 72 H VAL 72 5.514 8.492 -2.608 616 HA VAL 72 HA VAL 72 7.199 8.166 -4.836 617 HB VAL 72 HB VAL 72 8.050 9.599 -2.338 618 HG11 VAL 72 HG11 VAL 72 8.626 9.875 -5.267 619 HG12 VAL 72 HG12 VAL 72 9.757 9.633 -3.935 620 HG13 VAL 72 HG13 VAL 72 8.948 11.187 -4.133 621 HG21 VAL 72 HG21 VAL 72 5.948 10.407 -4.318 622 HG22 VAL 72 HG22 VAL 72 6.887 11.614 -3.441 623 HG23 VAL 72 HG23 VAL 72 5.892 10.459 -2.557 624 H GLU 73 H GLU 73 7.847 7.611 -1.366 625 HA GLU 73 HA GLU 73 10.386 6.473 -1.687 626 HB2 GLU 73 HB2 GLU 73 8.428 6.732 0.442 627 HB3 GLU 73 HB1 GLU 73 9.222 5.164 0.506 628 HG2 GLU 73 HG2 GLU 73 11.206 6.036 1.108 629 HG3 GLU 73 HG1 GLU 73 10.994 7.480 0.117 630 H TYR 74 H TYR 74 7.171 5.119 -1.931 631 HA TYR 74 HA TYR 74 7.839 2.391 -2.003 632 HB2 TYR 74 HB2 TYR 74 5.509 3.373 -1.849 633 HB3 TYR 74 HB1 TYR 74 5.617 3.720 -3.571 634 HD1 TYR 74 HD1 TYR 74 6.358 0.772 -1.380 635 HD2 TYR 74 HD2 TYR 74 4.429 2.249 -4.873 636 HE1 TYR 74 HE1 TYR 74 5.535 -1.493 -1.877 637 HE2 TYR 74 HE2 TYR 74 3.601 -0.010 -5.378 638 HH TYR 74 HH TYR 74 3.111 -2.115 -4.122 639 H ASP 75 H ASP 75 7.947 4.964 -4.364 640 HA ASP 75 HA ASP 75 8.465 3.286 -6.624 641 HB2 ASP 75 HB2 ASP 75 7.659 5.835 -6.409 642 HB3 ASP 75 HB1 ASP 75 9.385 6.115 -6.617 643 H GLN 76 H GLN 76 10.420 5.019 -4.261 644 HA GLN 76 HA GLN 76 12.912 4.699 -5.557 645 HB2 GLN 76 HB2 GLN 76 12.074 5.269 -2.734 646 HB3 GLN 76 HB1 GLN 76 13.765 4.962 -3.107 647 HG2 GLN 76 HG2 GLN 76 13.922 6.860 -4.475 648 HG3 GLN 76 HG1 GLN 76 12.171 7.043 -4.561 649 HE21 GLN 76 HE21 GLN 76 14.283 8.916 -3.715 650 HE22 GLN 76 HE22 GLN 76 13.842 9.418 -2.121 651 H LEU 77 H LEU 77 11.009 2.614 -3.506 652 HA LEU 77 HA LEU 77 13.169 0.739 -3.084 653 HB2 LEU 77 HB2 LEU 77 10.244 0.708 -2.372 654 HB3 LEU 77 HB1 LEU 77 11.308 -0.648 -2.054 655 HG LEU 77 HG LEU 77 12.252 1.948 -1.023 656 HD11 LEU 77 HD11 LEU 77 9.637 0.779 -0.242 657 HD12 LEU 77 HD12 LEU 77 10.156 2.464 -0.292 658 HD13 LEU 77 HD13 LEU 77 10.678 1.417 1.029 659 HD21 LEU 77 HD21 LEU 77 12.058 -0.865 0.030 660 HD22 LEU 77 HD22 LEU 77 12.694 0.488 0.965 661 HD23 LEU 77 HD23 LEU 77 13.502 -0.014 -0.520 662 H THR 78 H THR 78 10.245 0.954 -5.040 663 HA THR 78 HA THR 78 10.445 -1.675 -6.115 664 HB THR 78 HB THR 78 8.864 -0.668 -7.889 665 HG1 THR 78 HG1 THR 78 9.574 1.531 -7.317 666 HG21 THR 78 HG21 THR 78 7.717 -0.222 -5.189 667 HG22 THR 78 HG22 THR 78 8.261 -1.842 -5.625 668 HG23 THR 78 HG23 THR 78 7.029 -1.035 -6.595 669 HA PRO 79 HA PRO 79 13.509 -1.062 -9.231 670 HB2 PRO 79 HB2 PRO 79 12.781 -2.939 -11.040 671 HB3 PRO 79 HB1 PRO 79 13.498 -3.352 -9.477 672 HG2 PRO 79 HG2 PRO 79 10.620 -3.370 -10.306 673 HG3 PRO 79 HG1 PRO 79 11.517 -4.568 -9.354 674 HD2 PRO 79 HD2 PRO 79 9.891 -2.709 -8.227 675 HD3 PRO 79 HD1 PRO 79 11.335 -3.346 -7.413 676 H ARG 80 H ARG 80 12.725 1.080 -9.810 677 HA ARG 80 HA ARG 80 11.606 1.101 -12.513 678 HB2 ARG 80 HB2 ARG 80 9.985 1.691 -10.424 679 HB3 ARG 80 HB1 ARG 80 10.654 3.281 -10.760 680 HG2 ARG 80 HG2 ARG 80 9.887 3.145 -13.058 681 HG3 ARG 80 HG1 ARG 80 9.269 1.518 -12.771 682 HD2 ARG 80 HD2 ARG 80 7.336 2.616 -12.390 683 HD3 ARG 80 HD1 ARG 80 8.030 2.844 -10.786 684 HE ARG 80 HE ARG 80 8.208 5.079 -11.225 685 HH11 ARG 80 HH11 ARG 80 7.746 3.383 -14.240 686 HH12 ARG 80 HH12 ARG 80 7.576 4.831 -15.173 687 HH21 ARG 80 HH21 ARG 80 7.984 6.986 -12.451 688 HH22 ARG 80 HH22 ARG 80 7.711 6.877 -14.157 689 H1 ASP 100 H ASP 100 -6.294 13.825 3.080 690 HA ASP 100 HA ASP 100 -6.774 13.473 5.957 691 HB2 ASP 100 HB2 ASP 100 -8.675 11.941 5.247 692 HB3 ASP 100 HB1 ASP 100 -8.933 13.666 4.990 693 H ASP 101 H ASP 101 -4.364 12.776 4.829 694 HA ASP 101 HA ASP 101 -4.164 10.164 3.847 695 HB2 ASP 101 HB2 ASP 101 -2.371 12.046 4.044 696 HB3 ASP 101 HB1 ASP 101 -2.052 11.343 5.626 697 H ASP 102 H ASP 102 -3.018 8.362 5.076 698 HA ASP 102 HA ASP 102 -3.091 6.755 6.682 699 HB2 ASP 102 HB2 ASP 102 -3.111 9.288 8.244 700 HB3 ASP 102 HB1 ASP 102 -3.509 7.805 9.104 701 H ARG 103 H ARG 103 -5.515 7.480 5.287 702 HA ARG 103 HA ARG 103 -7.482 6.595 7.293 703 HB2 ARG 103 HB2 ARG 103 -7.898 8.936 6.696 704 HB3 ARG 103 HB1 ARG 103 -7.957 8.501 4.993 705 HG2 ARG 103 HG2 ARG 103 -10.113 8.034 5.144 706 HG3 ARG 103 HG1 ARG 103 -9.807 6.875 6.441 707 HD2 ARG 103 HD2 ARG 103 -9.848 8.704 8.072 708 HD3 ARG 103 HD1 ARG 103 -10.166 9.853 6.774 709 HE ARG 103 HE ARG 103 -12.091 7.735 6.883 710 HH11 ARG 103 HH11 ARG 103 -11.206 10.831 8.232 711 HH12 ARG 103 HH12 ARG 103 -12.824 11.227 8.705 712 HH21 ARG 103 HH21 ARG 103 -14.218 8.254 7.503 713 HH22 ARG 103 HH22 ARG 103 -14.535 9.763 8.292 714 H TYR 104 H TYR 104 -6.632 6.665 3.851 715 HA TYR 104 HA TYR 104 -8.540 4.860 2.918 716 HB2 TYR 104 HB2 TYR 104 -5.899 5.826 1.968 717 HB3 TYR 104 HB1 TYR 104 -6.499 4.337 1.244 718 HD1 TYR 104 HD1 TYR 104 -9.390 4.846 1.110 719 HD2 TYR 104 HD2 TYR 104 -6.118 7.448 0.316 720 HE1 TYR 104 HE1 TYR 104 -10.809 6.155 -0.412 721 HE2 TYR 104 HE2 TYR 104 -7.529 8.765 -1.209 722 HH TYR 104 HH TYR 104 -10.647 8.821 -1.243 723 H LEU 105 H LEU 105 -5.190 4.213 3.948 724 HA LEU 105 HA LEU 105 -5.241 1.443 3.608 725 HB2 LEU 105 HB2 LEU 105 -3.568 3.395 5.019 726 HB3 LEU 105 HB1 LEU 105 -3.557 1.801 5.748 727 HG LEU 105 HG LEU 105 -3.187 1.775 2.837 728 HD11 LEU 105 HD11 LEU 105 -0.751 2.607 4.281 729 HD12 LEU 105 HD12 LEU 105 -1.941 3.867 3.955 730 HD13 LEU 105 HD13 LEU 105 -1.259 2.932 2.624 731 HD21 LEU 105 HD21 LEU 105 -2.103 0.432 5.259 732 HD22 LEU 105 HD22 LEU 105 -1.142 0.410 3.781 733 HD23 LEU 105 HD23 LEU 105 -2.771 -0.265 3.783 734 H ARG 106 H ARG 106 -5.826 3.341 6.563 735 HA ARG 106 HA ARG 106 -6.458 1.182 8.228 736 HB2 ARG 106 HB2 ARG 106 -5.993 3.666 8.807 737 HB3 ARG 106 HB1 ARG 106 -7.717 3.892 8.542 738 HG2 ARG 106 HG2 ARG 106 -7.005 1.661 10.318 739 HG3 ARG 106 HG1 ARG 106 -6.603 3.271 10.921 740 HD2 ARG 106 HD2 ARG 106 -9.303 2.252 10.058 741 HD3 ARG 106 HD1 ARG 106 -8.802 2.726 11.681 742 HE ARG 106 HE ARG 106 -9.676 4.453 9.565 743 HH11 ARG 106 HH11 ARG 106 -7.741 4.262 12.463 744 HH12 ARG 106 HH12 ARG 106 -7.853 5.957 12.799 745 HH21 ARG 106 HH21 ARG 106 -9.824 6.682 10.005 746 HH22 ARG 106 HH22 ARG 106 -9.036 7.333 11.404 747 H GLU 107 H GLU 107 -8.402 3.027 5.968 748 HA GLU 107 HA GLU 107 -10.953 2.254 6.805 749 HB2 GLU 107 HB2 GLU 107 -9.763 3.260 4.282 750 HB3 GLU 107 HB1 GLU 107 -11.328 2.469 4.149 751 HG2 GLU 107 HG2 GLU 107 -10.704 4.787 5.966 752 HG3 GLU 107 HG1 GLU 107 -11.507 4.903 4.401 753 H ALA 108 H ALA 108 -8.995 0.823 4.183 754 HA ALA 108 HA ALA 108 -10.719 -1.422 3.874 755 HB1 ALA 108 HB1 ALA 108 -8.441 -2.261 2.715 756 HB2 ALA 108 HB2 ALA 108 -8.150 -0.521 2.736 757 HB3 ALA 108 HB3 ALA 108 -9.585 -1.167 1.938 758 H ILE 109 H ILE 109 -7.648 -0.887 5.541 759 HA ILE 109 HA ILE 109 -7.084 -3.507 6.296 760 HB ILE 109 HB ILE 109 -6.437 -0.872 7.604 761 HG12 ILE 109 HG12 ILE 109 -4.657 -2.874 6.209 762 HG13 ILE 109 HG11 ILE 109 -5.413 -1.509 5.395 763 HG21 ILE 109 HG21 ILE 109 -5.547 -3.621 8.458 764 HG22 ILE 109 HG22 ILE 109 -6.463 -2.451 9.407 765 HG23 ILE 109 HG23 ILE 109 -4.783 -2.119 8.981 766 HD11 ILE 109 HD11 ILE 109 -3.835 -0.122 6.096 767 HD12 ILE 109 HD12 ILE 109 -2.948 -1.545 6.643 768 HD13 ILE 109 HD13 ILE 109 -3.994 -0.671 7.765 769 H GLN 110 H GLN 110 -8.771 -0.999 8.211 770 HA GLN 110 HA GLN 110 -9.461 -2.722 10.327 771 HB2 GLN 110 HB2 GLN 110 -10.508 -0.066 9.393 772 HB3 GLN 110 HB1 GLN 110 -11.301 -0.924 10.707 773 HG2 GLN 110 HG2 GLN 110 -8.787 -1.038 11.591 774 HG3 GLN 110 HG1 GLN 110 -8.686 0.442 10.636 775 HE21 GLN 110 HE21 GLN 110 -9.269 -0.727 13.631 776 HE22 GLN 110 HE22 GLN 110 -10.223 0.562 14.274 777 H GLU 111 H GLU 111 -11.046 -1.950 7.293 778 HA GLU 111 HA GLU 111 -13.573 -2.991 7.780 779 HB2 GLU 111 HB2 GLU 111 -12.765 -1.786 5.693 780 HB3 GLU 111 HB1 GLU 111 -12.080 -3.321 5.177 781 HG2 GLU 111 HG2 GLU 111 -14.787 -3.756 5.925 782 HG3 GLU 111 HG1 GLU 111 -14.719 -2.363 4.847 783 H TYR 112 H TYR 112 -10.606 -4.607 6.784 784 HA TYR 112 HA TYR 112 -11.777 -7.203 6.619 785 HB2 TYR 112 HB2 TYR 112 -9.664 -6.556 5.450 786 HB3 TYR 112 HB1 TYR 112 -8.864 -6.479 7.017 787 HD1 TYR 112 HD1 TYR 112 -10.452 -8.737 4.569 788 HD2 TYR 112 HD2 TYR 112 -8.144 -8.461 8.133 789 HE1 TYR 112 HE1 TYR 112 -9.937 -11.136 4.415 790 HE2 TYR 112 HE2 TYR 112 -7.622 -10.860 7.988 791 HH TYR 112 HH TYR 112 -8.942 -12.962 6.788 792 H ASP 113 H ASP 113 -10.229 -5.304 9.132 793 HA ASP 113 HA ASP 113 -9.842 -7.355 11.017 794 HB2 ASP 113 HB2 ASP 113 -10.141 -4.384 11.162 795 HB3 ASP 113 HB1 ASP 113 -10.249 -5.308 12.656 796 H ASN 114 H ASN 114 -12.656 -5.576 10.002 797 HA ASN 114 HA ASN 114 -14.296 -6.472 12.200 798 HB2 ASN 114 HB2 ASN 114 -14.528 -4.562 10.029 799 HB3 ASN 114 HB1 ASN 114 -15.981 -5.547 10.167 800 HD21 ASN 114 HD21 ASN 114 -16.287 -5.961 12.775 801 HD22 ASN 114 HD22 ASN 114 -16.477 -4.471 13.629 802 H ILE 115 H ILE 115 -13.688 -7.371 8.855 803 HA ILE 115 HA ILE 115 -15.841 -9.224 8.655 804 HB ILE 115 HB ILE 115 -13.292 -9.176 7.042 805 HG12 ILE 115 HG12 ILE 115 -15.828 -8.008 6.014 806 HG13 ILE 115 HG11 ILE 115 -14.940 -7.072 7.211 807 HG21 ILE 115 HG21 ILE 115 -14.848 -11.216 6.998 808 HG22 ILE 115 HG22 ILE 115 -14.374 -10.499 5.458 809 HG23 ILE 115 HG23 ILE 115 -15.969 -10.165 6.133 810 HD11 ILE 115 HD11 ILE 115 -13.623 -6.319 5.609 811 HD12 ILE 115 HD12 ILE 115 -14.465 -7.317 4.424 812 HD13 ILE 115 HD13 ILE 115 -13.074 -7.966 5.293 813 H ALA 116 H ALA 116 -12.337 -9.710 8.954 814 HA ALA 116 HA ALA 116 -11.091 -11.419 9.798 815 HB1 ALA 116 HB1 ALA 116 -12.463 -12.727 11.692 816 HB2 ALA 116 HB2 ALA 116 -13.445 -11.266 11.576 817 HB3 ALA 116 HB3 ALA 116 -11.726 -11.144 11.952 818 H LYS 117 H LYS 117 -12.744 -11.926 7.466 819 HA LYS 117 HA LYS 117 -13.620 -14.683 7.766 820 HB2 LYS 117 HB2 LYS 117 -13.921 -12.566 5.701 821 HB3 LYS 117 HB1 LYS 117 -13.966 -14.237 5.154 822 HG2 LYS 117 HG2 LYS 117 -15.681 -13.328 7.429 823 HG3 LYS 117 HG1 LYS 117 -16.173 -13.063 5.756 824 HD2 LYS 117 HD2 LYS 117 -15.347 -15.724 5.849 825 HD3 LYS 117 HD1 LYS 117 -16.250 -15.479 7.345 826 HE2 LYS 117 HE2 LYS 117 -18.168 -14.707 6.131 827 HE3 LYS 117 HE1 LYS 117 -17.268 -14.708 4.615 828 HZ1 LYS 117 HZ1 LYS 117 -18.505 -16.661 4.564 829 HZ2 LYS 117 HZ2 LYS 117 -18.215 -17.021 6.191 830 HZ3 LYS 117 HZ3 LYS 117 -16.972 -17.185 5.055 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -17.863 7.993 -1.727 2 H2 MET 1 HT2 MET 1 -17.233 6.398 -1.820 3 H3 MET 1 HT3 MET 1 -16.175 7.728 -1.581 4 HA MET 1 HA MET 1 -17.346 8.182 0.514 5 HB2 MET 1 HB2 MET 1 -18.723 5.710 -0.437 6 HB3 MET 1 HB1 MET 1 -18.448 5.887 1.290 7 HG2 MET 1 HG2 MET 1 -20.498 6.838 1.133 8 HG3 MET 1 HG1 MET 1 -19.495 8.264 0.872 9 HE1 MET 1 HE1 MET 1 -20.793 9.948 -1.136 10 HE2 MET 1 HE2 MET 1 -19.947 9.359 -2.567 11 HE3 MET 1 HE3 MET 1 -19.108 9.436 -1.017 12 H ASP 2 H ASP 2 -16.899 6.580 2.504 13 HA ASP 2 HA ASP 2 -14.170 5.598 2.065 14 HB2 ASP 2 HB2 ASP 2 -15.361 7.172 4.104 15 HB3 ASP 2 HB1 ASP 2 -14.894 5.644 4.840 16 H ARG 3 H ARG 3 -16.449 4.026 1.282 17 HA ARG 3 HA ARG 3 -16.066 1.727 3.068 18 HB2 ARG 3 HB2 ARG 3 -18.456 3.073 2.732 19 HB3 ARG 3 HB1 ARG 3 -18.606 1.715 1.628 20 HG2 ARG 3 HG2 ARG 3 -17.977 0.215 3.537 21 HG3 ARG 3 HG1 ARG 3 -18.116 1.624 4.592 22 HD2 ARG 3 HD2 ARG 3 -20.461 1.897 3.602 23 HD3 ARG 3 HD1 ARG 3 -20.260 0.253 2.997 24 HE ARG 3 HE ARG 3 -19.651 0.227 5.712 25 HH11 ARG 3 HH11 ARG 3 -22.415 0.823 3.667 26 HH12 ARG 3 HH12 ARG 3 -23.562 0.292 4.850 27 HH21 ARG 3 HH21 ARG 3 -21.157 -0.474 7.268 28 HH22 ARG 3 HH22 ARG 3 -22.849 -0.445 6.895 29 H LYS 4 H LYS 4 -17.046 2.748 -0.188 30 HA LYS 4 HA LYS 4 -16.827 0.235 -1.416 31 HB2 LYS 4 HB2 LYS 4 -16.348 2.924 -2.712 32 HB3 LYS 4 HB1 LYS 4 -16.812 1.433 -3.520 33 HG2 LYS 4 HG2 LYS 4 -18.978 1.725 -3.067 34 HG3 LYS 4 HG1 LYS 4 -18.659 2.227 -1.405 35 HD2 LYS 4 HD2 LYS 4 -18.016 4.461 -2.238 36 HD3 LYS 4 HD1 LYS 4 -18.424 3.946 -3.875 37 HE2 LYS 4 HE2 LYS 4 -20.197 5.272 -2.661 38 HE3 LYS 4 HE1 LYS 4 -20.715 3.728 -3.337 39 HZ1 LYS 4 HZ1 LYS 4 -21.230 4.470 -0.846 40 HZ2 LYS 4 HZ2 LYS 4 -19.763 3.669 -0.591 41 HZ3 LYS 4 HZ3 LYS 4 -21.059 2.850 -1.306 42 H VAL 5 H VAL 5 -14.425 2.658 -0.637 43 HA VAL 5 HA VAL 5 -12.331 1.906 -2.282 44 HB VAL 5 HB VAL 5 -12.031 2.678 0.623 45 HG11 VAL 5 HG11 VAL 5 -9.895 2.191 0.018 46 HG12 VAL 5 HG12 VAL 5 -9.972 3.842 -0.600 47 HG13 VAL 5 HG13 VAL 5 -10.198 2.479 -1.696 48 HG21 VAL 5 HG21 VAL 5 -12.878 4.234 -1.737 49 HG22 VAL 5 HG22 VAL 5 -11.665 4.987 -0.701 50 HG23 VAL 5 HG23 VAL 5 -13.216 4.491 -0.026 51 H ALA 6 H ALA 6 -13.588 0.376 0.598 52 HA ALA 6 HA ALA 6 -11.445 -1.482 0.925 53 HB1 ALA 6 HB1 ALA 6 -14.248 -1.838 1.947 54 HB2 ALA 6 HB2 ALA 6 -13.092 -0.743 2.708 55 HB3 ALA 6 HB3 ALA 6 -12.748 -2.472 2.624 56 H ARG 7 H ARG 7 -14.618 -1.563 -0.629 57 HA ARG 7 HA ARG 7 -14.530 -4.314 -1.333 58 HB2 ARG 7 HB2 ARG 7 -16.632 -3.054 -1.240 59 HB3 ARG 7 HB1 ARG 7 -16.097 -2.048 -2.579 60 HG2 ARG 7 HG2 ARG 7 -16.651 -3.579 -4.115 61 HG3 ARG 7 HG1 ARG 7 -16.043 -4.920 -3.142 62 HD2 ARG 7 HD2 ARG 7 -18.413 -5.179 -3.407 63 HD3 ARG 7 HD1 ARG 7 -18.080 -4.744 -1.731 64 HE ARG 7 HE ARG 7 -18.584 -2.357 -2.886 65 HH11 ARG 7 HH11 ARG 7 -20.316 -5.387 -2.847 66 HH12 ARG 7 HH12 ARG 7 -21.873 -4.643 -2.984 67 HH21 ARG 7 HH21 ARG 7 -20.632 -1.376 -3.066 68 HH22 ARG 7 HH22 ARG 7 -22.053 -2.365 -3.109 69 H GLU 8 H GLU 8 -13.519 -1.368 -2.972 70 HA GLU 8 HA GLU 8 -12.927 -2.647 -5.444 71 HB2 GLU 8 HB2 GLU 8 -11.713 -0.083 -4.407 72 HB3 GLU 8 HB1 GLU 8 -11.883 -0.583 -6.085 73 HG2 GLU 8 HG2 GLU 8 -14.451 -0.559 -4.824 74 HG3 GLU 8 HG1 GLU 8 -13.638 0.983 -4.559 75 H PHE 9 H PHE 9 -10.936 -1.630 -2.684 76 HA PHE 9 HA PHE 9 -8.478 -2.526 -3.717 77 HB2 PHE 9 HB2 PHE 9 -8.770 -0.996 -1.746 78 HB3 PHE 9 HB1 PHE 9 -9.272 -2.394 -0.801 79 HD1 PHE 9 HD2 PHE 9 -6.501 -1.757 -3.221 80 HD2 PHE 9 HD1 PHE 9 -7.644 -3.026 0.677 81 HE1 PHE 9 HE2 PHE 9 -4.148 -2.236 -2.691 82 HE2 PHE 9 HE1 PHE 9 -5.291 -3.507 1.214 83 HZ PHE 9 HZ PHE 9 -3.540 -3.112 -0.471 84 H ARG 10 H ARG 10 -10.982 -4.116 -1.818 85 HA ARG 10 HA ARG 10 -9.529 -6.535 -1.419 86 HB2 ARG 10 HB2 ARG 10 -11.494 -5.693 -0.039 87 HB3 ARG 10 HB1 ARG 10 -12.529 -6.233 -1.355 88 HG2 ARG 10 HG2 ARG 10 -11.792 -8.510 -1.059 89 HG3 ARG 10 HG1 ARG 10 -10.635 -8.005 0.173 90 HD2 ARG 10 HD2 ARG 10 -13.634 -8.034 0.319 91 HD3 ARG 10 HD1 ARG 10 -12.478 -8.862 1.356 92 HE ARG 10 HE ARG 10 -12.081 -6.863 2.496 93 HH11 ARG 10 HH11 ARG 10 -14.363 -6.397 -0.112 94 HH12 ARG 10 HH12 ARG 10 -14.916 -4.870 0.488 95 HH21 ARG 10 HH21 ARG 10 -12.807 -4.854 3.270 96 HH22 ARG 10 HH22 ARG 10 -14.031 -3.992 2.398 97 H HIS 11 H HIS 11 -12.155 -5.600 -3.648 98 HA HIS 11 HA HIS 11 -12.352 -8.062 -4.970 99 HB2 HIS 11 HB2 HIS 11 -13.825 -5.890 -5.119 100 HB3 HIS 11 HB1 HIS 11 -12.770 -5.507 -6.475 101 HD1 HIS 11 HD1 HIS 11 -15.766 -6.020 -6.919 102 HD2 HIS 11 HD2 HIS 11 -12.832 -8.946 -7.229 103 HE1 HIS 11 HE1 HIS 11 -16.749 -7.803 -8.395 104 HE2 HIS 11 HE2 HIS 11 -14.989 -9.603 -8.497 105 H LYS 12 H LYS 12 -10.322 -5.240 -5.687 106 HA LYS 12 HA LYS 12 -9.213 -6.178 -8.080 107 HB2 LYS 12 HB2 LYS 12 -8.706 -4.031 -6.212 108 HB3 LYS 12 HB1 LYS 12 -7.193 -4.715 -6.787 109 HG2 LYS 12 HG2 LYS 12 -9.230 -4.174 -8.846 110 HG3 LYS 12 HG1 LYS 12 -8.522 -2.764 -8.055 111 HD2 LYS 12 HD2 LYS 12 -6.265 -3.716 -8.568 112 HD3 LYS 12 HD1 LYS 12 -7.071 -4.963 -9.522 113 HE2 LYS 12 HE2 LYS 12 -6.457 -3.331 -11.085 114 HE3 LYS 12 HE1 LYS 12 -8.170 -3.038 -10.788 115 HZ1 LYS 12 HZ1 LYS 12 -7.226 -0.941 -10.688 116 HZ2 LYS 12 HZ2 LYS 12 -5.845 -1.473 -9.868 117 HZ3 LYS 12 HZ3 LYS 12 -7.325 -1.374 -9.055 118 H VAL 13 H VAL 13 -7.913 -6.382 -4.767 119 HA VAL 13 HA VAL 13 -5.647 -7.895 -5.371 120 HB VAL 13 HB VAL 13 -7.251 -8.012 -2.813 121 HG11 VAL 13 HG11 VAL 13 -4.531 -8.937 -3.600 122 HG12 VAL 13 HG12 VAL 13 -5.734 -9.716 -2.571 123 HG13 VAL 13 HG13 VAL 13 -4.794 -8.355 -1.957 124 HG21 VAL 13 HG21 VAL 13 -6.392 -6.036 -2.151 125 HG22 VAL 13 HG22 VAL 13 -6.250 -5.744 -3.884 126 HG23 VAL 13 HG23 VAL 13 -4.854 -6.311 -2.968 127 H ASP 14 H ASP 14 -8.948 -8.882 -4.637 128 HA ASP 14 HA ASP 14 -8.376 -11.678 -4.593 129 HB2 ASP 14 HB2 ASP 14 -10.322 -10.710 -3.425 130 HB3 ASP 14 HB1 ASP 14 -11.024 -10.264 -4.977 131 H PHE 15 H PHE 15 -8.982 -9.377 -7.091 132 HA PHE 15 HA PHE 15 -9.950 -11.184 -9.064 133 HB2 PHE 15 HB2 PHE 15 -9.001 -8.382 -8.992 134 HB3 PHE 15 HB1 PHE 15 -8.806 -9.207 -10.534 135 HD1 PHE 15 HD2 PHE 15 -11.176 -10.911 -10.635 136 HD2 PHE 15 HD1 PHE 15 -10.746 -6.898 -9.287 137 HE1 PHE 15 HE2 PHE 15 -13.542 -10.485 -11.162 138 HE2 PHE 15 HE1 PHE 15 -13.111 -6.464 -9.809 139 HZ PHE 15 HZ PHE 15 -14.512 -8.258 -10.749 140 H LEU 16 H LEU 16 -6.787 -9.683 -8.543 141 HA LEU 16 HA LEU 16 -5.432 -11.167 -10.496 142 HB2 LEU 16 HB2 LEU 16 -3.376 -10.494 -9.068 143 HB3 LEU 16 HB1 LEU 16 -4.288 -9.268 -9.933 144 HG LEU 16 HG LEU 16 -5.444 -9.617 -7.361 145 HD11 LEU 16 HD11 LEU 16 -3.754 -9.488 -5.854 146 HD12 LEU 16 HD12 LEU 16 -2.693 -8.613 -6.960 147 HD13 LEU 16 HD13 LEU 16 -2.881 -10.359 -7.115 148 HD21 LEU 16 HD21 LEU 16 -5.336 -7.620 -8.998 149 HD22 LEU 16 HD22 LEU 16 -3.808 -7.256 -8.199 150 HD23 LEU 16 HD23 LEU 16 -5.302 -7.302 -7.264 151 H ILE 17 H ILE 17 -5.829 -11.683 -7.028 152 HA ILE 17 HA ILE 17 -4.250 -14.113 -7.110 153 HB ILE 17 HB ILE 17 -5.814 -12.969 -4.801 154 HG12 ILE 17 HG12 ILE 17 -2.859 -12.793 -4.980 155 HG13 ILE 17 HG11 ILE 17 -3.805 -11.677 -5.957 156 HG21 ILE 17 HG21 ILE 17 -5.113 -14.697 -3.584 157 HG22 ILE 17 HG22 ILE 17 -3.464 -14.553 -4.194 158 HG23 ILE 17 HG23 ILE 17 -4.665 -15.467 -5.106 159 HD11 ILE 17 HD11 ILE 17 -3.398 -10.504 -3.996 160 HD12 ILE 17 HD12 ILE 17 -3.670 -11.921 -2.982 161 HD13 ILE 17 HD13 ILE 17 -5.032 -11.129 -3.774 162 H GLU 18 H GLU 18 -7.484 -13.350 -5.898 163 HA GLU 18 HA GLU 18 -9.402 -14.493 -5.900 164 HB2 GLU 18 HB2 GLU 18 -9.165 -14.724 -8.307 165 HB3 GLU 18 HB1 GLU 18 -8.093 -16.103 -8.088 166 HG2 GLU 18 HG2 GLU 18 -9.805 -17.460 -7.311 167 HG3 GLU 18 HG1 GLU 18 -10.875 -16.091 -7.024 168 H ASN 19 H ASN 19 -6.634 -15.465 -4.826 169 HA ASN 19 HA ASN 19 -7.511 -18.098 -3.882 170 HB2 ASN 19 HB2 ASN 19 -5.105 -17.391 -4.921 171 HB3 ASN 19 HB1 ASN 19 -4.789 -17.178 -3.202 172 HD21 ASN 19 HD21 ASN 19 -4.238 -19.245 -5.503 173 HD22 ASN 19 HD22 ASN 19 -4.424 -20.753 -4.683 174 H ASP 20 H ASP 20 -6.986 -18.632 -1.590 175 HA ASP 20 HA ASP 20 -7.732 -16.375 0.109 176 HB2 ASP 20 HB2 ASP 20 -8.042 -19.337 0.304 177 HB3 ASP 20 HB1 ASP 20 -7.966 -18.406 1.797 178 H ALA 21 H ALA 21 -5.360 -19.010 -0.056 179 HA ALA 21 HA ALA 21 -3.944 -18.426 2.269 180 HB1 ALA 21 HB1 ALA 21 -2.347 -19.906 1.529 181 HB2 ALA 21 HB2 ALA 21 -2.490 -19.386 -0.149 182 HB3 ALA 21 HB3 ALA 21 -3.741 -20.401 0.569 183 H GLU 22 H GLU 22 -3.379 -17.281 -1.036 184 HA GLU 22 HA GLU 22 -1.158 -15.656 -0.407 185 HB2 GLU 22 HB2 GLU 22 -3.073 -15.811 -2.705 186 HB3 GLU 22 HB1 GLU 22 -1.973 -14.443 -2.596 187 HG2 GLU 22 HG2 GLU 22 -0.158 -16.287 -2.293 188 HG3 GLU 22 HG1 GLU 22 -1.372 -17.329 -3.034 189 H LYS 23 H LYS 23 -4.625 -14.947 -0.694 190 HA LYS 23 HA LYS 23 -4.411 -12.172 -0.174 191 HB2 LYS 23 HB2 LYS 23 -6.422 -13.685 -1.040 192 HB3 LYS 23 HB1 LYS 23 -6.844 -13.684 0.666 193 HG2 LYS 23 HG2 LYS 23 -6.613 -11.124 0.494 194 HG3 LYS 23 HG1 LYS 23 -6.730 -11.390 -1.247 195 HD2 LYS 23 HD2 LYS 23 -8.745 -12.774 0.403 196 HD3 LYS 23 HD1 LYS 23 -8.860 -11.014 0.369 197 HE2 LYS 23 HE2 LYS 23 -8.878 -11.084 -2.090 198 HE3 LYS 23 HE1 LYS 23 -8.812 -12.846 -2.028 199 HZ1 LYS 23 HZ1 LYS 23 -11.029 -12.686 -2.099 200 HZ2 LYS 23 HZ2 LYS 23 -11.048 -11.070 -1.604 201 HZ3 LYS 23 HZ3 LYS 23 -10.923 -12.303 -0.454 202 H ASP 24 H ASP 24 -4.610 -14.997 1.881 203 HA ASP 24 HA ASP 24 -5.217 -13.697 4.299 204 HB2 ASP 24 HB2 ASP 24 -4.477 -16.332 3.461 205 HB3 ASP 24 HB1 ASP 24 -3.472 -15.884 4.834 206 H TYR 25 H TYR 25 -2.115 -14.533 2.787 207 HA TYR 25 HA TYR 25 -0.523 -13.389 4.833 208 HB2 TYR 25 HB2 TYR 25 0.377 -15.072 3.287 209 HB3 TYR 25 HB1 TYR 25 0.166 -13.958 1.939 210 HD1 TYR 25 HD2 TYR 25 1.893 -14.192 5.241 211 HD2 TYR 25 HD1 TYR 25 1.964 -12.660 1.274 212 HE1 TYR 25 HE2 TYR 25 4.155 -13.309 5.629 213 HE2 TYR 25 HE1 TYR 25 4.226 -11.774 1.650 214 HH TYR 25 HH TYR 25 6.158 -12.227 3.136 215 H LEU 26 H LEU 26 -1.542 -12.149 1.641 216 HA LEU 26 HA LEU 26 -0.220 -9.688 1.852 217 HB2 LEU 26 HB2 LEU 26 -1.475 -10.674 -0.173 218 HB3 LEU 26 HB1 LEU 26 -2.921 -10.000 0.552 219 HG LEU 26 HG LEU 26 -0.860 -7.989 0.412 220 HD11 LEU 26 HD11 LEU 26 -1.339 -8.025 -2.264 221 HD12 LEU 26 HD12 LEU 26 -1.127 -9.740 -1.917 222 HD13 LEU 26 HD13 LEU 26 0.142 -8.592 -1.495 223 HD21 LEU 26 HD21 LEU 26 -2.833 -7.180 -1.256 224 HD22 LEU 26 HD22 LEU 26 -2.875 -7.001 0.497 225 HD23 LEU 26 HD23 LEU 26 -3.693 -8.362 -0.270 226 H TYR 27 H TYR 27 -3.395 -10.762 2.958 227 HA TYR 27 HA TYR 27 -4.243 -8.287 4.017 228 HB2 TYR 27 HB2 TYR 27 -5.067 -11.093 4.245 229 HB3 TYR 27 HB1 TYR 27 -5.325 -10.178 5.724 230 HD1 TYR 27 HD1 TYR 27 -6.119 -7.559 4.843 231 HD2 TYR 27 HD2 TYR 27 -7.101 -11.347 3.172 232 HE1 TYR 27 HE1 TYR 27 -8.179 -6.602 3.901 233 HE2 TYR 27 HE2 TYR 27 -9.164 -10.401 2.225 234 HH TYR 27 HH TYR 27 -9.751 -7.079 2.046 235 H ASP 28 H ASP 28 -2.145 -10.854 5.195 236 HA ASP 28 HA ASP 28 -1.904 -9.822 7.852 237 HB2 ASP 28 HB2 ASP 28 -0.862 -12.063 6.320 238 HB3 ASP 28 HB1 ASP 28 0.388 -11.331 7.323 239 H VAL 29 H VAL 29 -0.282 -9.285 4.792 240 HA VAL 29 HA VAL 29 2.011 -7.976 5.849 241 HB VAL 29 HB VAL 29 0.779 -7.664 3.105 242 HG11 VAL 29 HG11 VAL 29 3.590 -7.131 4.065 243 HG12 VAL 29 HG12 VAL 29 2.387 -5.903 3.669 244 HG13 VAL 29 HG13 VAL 29 3.009 -6.968 2.408 245 HG21 VAL 29 HG21 VAL 29 1.676 -9.619 2.471 246 HG22 VAL 29 HG22 VAL 29 1.708 -9.990 4.195 247 HG23 VAL 29 HG23 VAL 29 3.150 -9.355 3.403 248 H LEU 30 H LEU 30 -0.939 -6.700 4.298 249 HA LEU 30 HA LEU 30 -0.371 -3.989 4.714 250 HB2 LEU 30 HB2 LEU 30 -3.099 -5.278 4.619 251 HB3 LEU 30 HB1 LEU 30 -2.734 -3.591 4.315 252 HG LEU 30 HG LEU 30 -1.566 -5.770 2.606 253 HD11 LEU 30 HD11 LEU 30 -4.323 -4.678 2.618 254 HD12 LEU 30 HD12 LEU 30 -3.735 -6.274 2.149 255 HD13 LEU 30 HD13 LEU 30 -3.536 -4.904 1.056 256 HD21 LEU 30 HD21 LEU 30 -2.285 -3.111 1.555 257 HD22 LEU 30 HD22 LEU 30 -0.860 -4.107 1.256 258 HD23 LEU 30 HD23 LEU 30 -0.971 -3.149 2.732 259 H ARG 31 H ARG 31 -1.934 -6.392 6.746 260 HA ARG 31 HA ARG 31 -2.881 -4.633 8.740 261 HB2 ARG 31 HB2 ARG 31 -2.555 -7.532 8.410 262 HB3 ARG 31 HB1 ARG 31 -2.417 -6.987 10.077 263 HG2 ARG 31 HG2 ARG 31 -4.591 -6.077 10.064 264 HG3 ARG 31 HG1 ARG 31 -4.717 -6.211 8.310 265 HD2 ARG 31 HD2 ARG 31 -5.862 -8.087 8.793 266 HD3 ARG 31 HD1 ARG 31 -4.252 -8.786 8.957 267 HE ARG 31 HE ARG 31 -6.131 -8.195 11.080 268 HH11 ARG 31 HH11 ARG 31 -2.826 -8.965 10.244 269 HH12 ARG 31 HH12 ARG 31 -2.441 -9.571 11.820 270 HH21 ARG 31 HH21 ARG 31 -5.620 -8.992 13.148 271 HH22 ARG 31 HH22 ARG 31 -4.025 -9.587 13.467 272 H MET 32 H MET 32 0.140 -6.478 8.425 273 HA MET 32 HA MET 32 1.192 -5.560 10.921 274 HB2 MET 32 HB2 MET 32 3.235 -6.655 10.276 275 HB3 MET 32 HB1 MET 32 1.885 -7.688 9.833 276 HG2 MET 32 HG2 MET 32 2.186 -7.351 7.583 277 HG3 MET 32 HG1 MET 32 3.029 -5.822 7.811 278 HE1 MET 32 HE1 MET 32 6.522 -6.916 9.044 279 HE2 MET 32 HE2 MET 32 5.226 -7.030 10.234 280 HE3 MET 32 HE3 MET 32 5.264 -5.681 9.098 281 H TYR 33 H TYR 33 1.258 -4.438 7.626 282 HA TYR 33 HA TYR 33 3.428 -2.660 7.804 283 HB2 TYR 33 HB2 TYR 33 2.591 -3.211 5.636 284 HB3 TYR 33 HB1 TYR 33 0.966 -2.679 6.056 285 HD1 TYR 33 HD2 TYR 33 4.210 -0.941 6.614 286 HD2 TYR 33 HD1 TYR 33 0.505 -0.980 4.524 287 HE1 TYR 33 HE2 TYR 33 4.706 1.290 5.708 288 HE2 TYR 33 HE1 TYR 33 0.990 1.251 3.612 289 HH TYR 33 HH TYR 33 3.607 3.176 4.763 290 H HIS 34 H HIS 34 -0.017 -2.267 8.493 291 HA HIS 34 HA HIS 34 0.103 0.514 9.029 292 HB2 HIS 34 HB2 HIS 34 -1.905 -1.410 8.830 293 HB3 HIS 34 HB1 HIS 34 -1.983 -0.873 10.505 294 HD1 HIS 34 HD1 HIS 34 -1.536 0.979 7.199 295 HD2 HIS 34 HD2 HIS 34 -3.812 1.095 10.674 296 HE1 HIS 34 HE1 HIS 34 -3.043 2.976 6.948 297 HE2 HIS 34 HE2 HIS 34 -4.463 2.983 9.030 298 H GLN 35 H GLN 35 0.710 -2.334 10.947 299 HA GLN 35 HA GLN 35 0.643 -0.993 13.474 300 HB2 GLN 35 HB2 GLN 35 0.314 -3.506 12.985 301 HB3 GLN 35 HB1 GLN 35 2.070 -3.583 12.949 302 HG2 GLN 35 HG2 GLN 35 1.829 -2.357 15.267 303 HG3 GLN 35 HG1 GLN 35 0.235 -3.107 15.232 304 HE21 GLN 35 HE21 GLN 35 0.394 -5.499 14.445 305 HE22 GLN 35 HE22 GLN 35 1.582 -6.448 15.265 306 H THR 36 H THR 36 3.307 -2.448 11.632 307 HA THR 36 HA THR 36 5.306 -1.140 13.206 308 HB THR 36 HB THR 36 5.827 -3.279 12.245 309 HG1 THR 36 HG1 THR 36 7.274 -1.312 10.808 310 HG21 THR 36 HG21 THR 36 4.970 -3.862 10.289 311 HG22 THR 36 HG22 THR 36 6.233 -2.885 9.538 312 HG23 THR 36 HG23 THR 36 4.645 -2.184 9.852 313 H MET 37 H MET 37 3.574 -0.375 10.304 314 HA MET 37 HA MET 37 3.555 1.454 8.955 315 HB2 MET 37 HB2 MET 37 5.099 2.630 11.270 316 HB3 MET 37 HB1 MET 37 4.555 3.569 9.888 317 HG2 MET 37 HG2 MET 37 2.513 1.958 11.286 318 HG3 MET 37 HG1 MET 37 3.163 3.351 12.149 319 HE1 MET 37 HE1 MET 37 -0.459 3.841 10.100 320 HE2 MET 37 HE2 MET 37 0.172 3.052 11.545 321 HE3 MET 37 HE3 MET 37 0.313 2.259 9.975 322 H ASP 38 H ASP 38 5.314 -0.424 8.188 323 HA ASP 38 HA ASP 38 7.667 1.127 7.317 324 HB2 ASP 38 HB2 ASP 38 7.421 -1.709 8.236 325 HB3 ASP 38 HB1 ASP 38 8.642 -1.305 7.033 326 H VAL 39 H VAL 39 7.286 1.727 5.283 327 HA VAL 39 HA VAL 39 5.606 0.306 3.488 328 HB VAL 39 HB VAL 39 7.660 2.389 2.753 329 HG11 VAL 39 HG11 VAL 39 6.057 0.860 1.140 330 HG12 VAL 39 HG12 VAL 39 6.744 2.427 0.712 331 HG13 VAL 39 HG13 VAL 39 5.102 2.329 1.347 332 HG21 VAL 39 HG21 VAL 39 6.464 3.981 3.745 333 HG22 VAL 39 HG22 VAL 39 5.540 2.707 4.541 334 HG23 VAL 39 HG23 VAL 39 4.969 3.391 3.021 335 H ALA 40 H ALA 40 8.996 0.158 4.217 336 HA ALA 40 HA ALA 40 9.813 -1.094 1.788 337 HB1 ALA 40 HB1 ALA 40 11.082 -0.706 4.474 338 HB2 ALA 40 HB2 ALA 40 11.551 -0.033 2.913 339 HB3 ALA 40 HB3 ALA 40 11.832 -1.739 3.259 340 H VAL 41 H VAL 41 8.387 -2.154 4.755 341 HA VAL 41 HA VAL 41 9.123 -4.905 4.439 342 HB VAL 41 HB VAL 41 6.997 -3.710 6.223 343 HG11 VAL 41 HG11 VAL 41 6.830 -6.163 5.769 344 HG12 VAL 41 HG12 VAL 41 7.087 -5.752 7.464 345 HG13 VAL 41 HG13 VAL 41 8.428 -6.349 6.488 346 HG21 VAL 41 HG21 VAL 41 8.563 -3.365 7.864 347 HG22 VAL 41 HG22 VAL 41 9.515 -2.993 6.425 348 HG23 VAL 41 HG23 VAL 41 9.677 -4.566 7.208 349 H LEU 42 H LEU 42 6.210 -2.963 3.892 350 HA LEU 42 HA LEU 42 4.559 -5.113 3.103 351 HB2 LEU 42 HB2 LEU 42 2.962 -3.531 2.561 352 HB3 LEU 42 HB1 LEU 42 3.917 -2.703 3.775 353 HG LEU 42 HG LEU 42 5.194 -1.776 1.647 354 HD11 LEU 42 HD11 LEU 42 2.790 -3.031 0.564 355 HD12 LEU 42 HD12 LEU 42 4.260 -2.499 -0.251 356 HD13 LEU 42 HD13 LEU 42 2.978 -1.339 0.101 357 HD21 LEU 42 HD21 LEU 42 2.557 -0.496 2.039 358 HD22 LEU 42 HD22 LEU 42 4.178 0.198 2.101 359 HD23 LEU 42 HD23 LEU 42 3.557 -0.717 3.475 360 H VAL 43 H VAL 43 6.735 -2.981 1.329 361 HA VAL 43 HA VAL 43 5.977 -3.809 -1.269 362 HB VAL 43 HB VAL 43 8.658 -2.742 -0.359 363 HG11 VAL 43 HG11 VAL 43 8.955 -3.686 -2.501 364 HG12 VAL 43 HG12 VAL 43 8.747 -1.955 -2.767 365 HG13 VAL 43 HG13 VAL 43 7.409 -3.060 -3.078 366 HG21 VAL 43 HG21 VAL 43 7.843 -0.639 -0.422 367 HG22 VAL 43 HG22 VAL 43 6.307 -1.446 -0.107 368 HG23 VAL 43 HG23 VAL 43 6.743 -0.991 -1.755 369 H GLY 44 H GLY 44 8.467 -4.939 0.991 370 HA2 GLY 44 HA2 GLY 44 9.742 -6.780 -0.688 371 HA3 GLY 44 HA1 GLY 44 9.665 -6.898 1.065 372 H ASP 45 H ASP 45 7.134 -7.388 1.668 373 HA ASP 45 HA ASP 45 6.773 -10.092 1.011 374 HB2 ASP 45 HB2 ASP 45 4.768 -8.119 2.131 375 HB3 ASP 45 HB1 ASP 45 4.578 -9.871 2.130 376 H LEU 46 H LEU 46 5.169 -7.161 -0.187 377 HA LEU 46 HA LEU 46 3.223 -8.272 -1.785 378 HB2 LEU 46 HB2 LEU 46 4.774 -5.754 -1.824 379 HB3 LEU 46 HB1 LEU 46 3.979 -6.182 -3.326 380 HG LEU 46 HG LEU 46 2.632 -5.801 -0.650 381 HD11 LEU 46 HD11 LEU 46 3.516 -3.864 -2.316 382 HD12 LEU 46 HD12 LEU 46 2.099 -3.708 -1.277 383 HD13 LEU 46 HD13 LEU 46 1.905 -4.152 -2.973 384 HD21 LEU 46 HD21 LEU 46 1.781 -7.452 -2.664 385 HD22 LEU 46 HD22 LEU 46 0.976 -5.934 -3.057 386 HD23 LEU 46 HD23 LEU 46 0.739 -6.673 -1.475 387 H LYS 47 H LYS 47 6.657 -7.851 -2.471 388 HA LYS 47 HA LYS 47 6.529 -8.688 -5.180 389 HB2 LYS 47 HB2 LYS 47 8.685 -8.248 -3.175 390 HB3 LYS 47 HB1 LYS 47 9.070 -9.245 -4.572 391 HG2 LYS 47 HG2 LYS 47 9.014 -7.504 -6.004 392 HG3 LYS 47 HG1 LYS 47 7.712 -6.689 -5.137 393 HD2 LYS 47 HD2 LYS 47 9.197 -5.790 -3.544 394 HD3 LYS 47 HD1 LYS 47 10.498 -6.882 -4.025 395 HE2 LYS 47 HE2 LYS 47 9.335 -4.816 -5.876 396 HE3 LYS 47 HE1 LYS 47 10.692 -4.476 -4.802 397 HZ1 LYS 47 HZ1 LYS 47 10.983 -5.375 -7.279 398 HZ2 LYS 47 HZ2 LYS 47 10.934 -6.854 -6.459 399 HZ3 LYS 47 HZ3 LYS 47 12.098 -5.697 -6.046 400 H LEU 48 H LEU 48 7.435 -10.362 -2.175 401 HA LEU 48 HA LEU 48 8.042 -12.856 -3.202 402 HB2 LEU 48 HB2 LEU 48 6.823 -11.992 -0.599 403 HB3 LEU 48 HB1 LEU 48 7.091 -13.690 -0.944 404 HG LEU 48 HG LEU 48 9.334 -11.704 -1.140 405 HD11 LEU 48 HD11 LEU 48 9.713 -11.665 1.082 406 HD12 LEU 48 HD12 LEU 48 9.080 -13.292 1.331 407 HD13 LEU 48 HD13 LEU 48 7.972 -11.930 1.164 408 HD21 LEU 48 HD21 LEU 48 10.605 -13.810 -0.499 409 HD22 LEU 48 HD22 LEU 48 9.892 -13.773 -2.111 410 HD23 LEU 48 HD23 LEU 48 9.107 -14.682 -0.820 411 H VAL 49 H VAL 49 4.960 -11.306 -2.866 412 HA VAL 49 HA VAL 49 3.546 -13.792 -3.523 413 HB VAL 49 HB VAL 49 2.376 -11.101 -2.802 414 HG11 VAL 49 HG11 VAL 49 0.312 -12.370 -2.427 415 HG12 VAL 49 HG12 VAL 49 1.123 -13.839 -2.973 416 HG13 VAL 49 HG13 VAL 49 0.867 -12.505 -4.097 417 HG21 VAL 49 HG21 VAL 49 1.822 -12.719 -0.696 418 HG22 VAL 49 HG22 VAL 49 3.170 -11.583 -0.755 419 HG23 VAL 49 HG23 VAL 49 3.431 -13.283 -1.146 420 H ILE 50 H ILE 50 4.469 -10.692 -4.785 421 HA ILE 50 HA ILE 50 2.869 -11.134 -7.198 422 HB ILE 50 HB ILE 50 4.363 -8.649 -6.353 423 HG12 ILE 50 HG12 ILE 50 1.376 -8.924 -6.406 424 HG13 ILE 50 HG11 ILE 50 2.285 -9.476 -5.003 425 HG21 ILE 50 HG21 ILE 50 2.784 -9.378 -8.750 426 HG22 ILE 50 HG22 ILE 50 4.185 -8.319 -8.590 427 HG23 ILE 50 HG23 ILE 50 2.589 -7.748 -8.107 428 HD11 ILE 50 HD11 ILE 50 1.505 -7.255 -4.609 429 HD12 ILE 50 HD12 ILE 50 2.202 -6.690 -6.128 430 HD13 ILE 50 HD13 ILE 50 3.255 -7.208 -4.812 431 H ASN 51 H ASN 51 5.411 -12.493 -6.449 432 HA ASN 51 HA ASN 51 7.626 -11.655 -7.842 433 HB2 ASN 51 HB2 ASN 51 6.853 -13.991 -6.534 434 HB3 ASN 51 HB1 ASN 51 7.229 -14.518 -8.171 435 HD21 ASN 51 HD21 ASN 51 9.279 -13.045 -8.946 436 HD22 ASN 51 HD22 ASN 51 10.641 -13.247 -7.902 437 H GLU 52 H GLU 52 4.648 -12.939 -9.093 438 HA GLU 52 HA GLU 52 5.787 -13.144 -11.785 439 HB2 GLU 52 HB2 GLU 52 2.988 -13.900 -10.964 440 HB3 GLU 52 HB1 GLU 52 3.874 -14.415 -12.394 441 HG2 GLU 52 HG2 GLU 52 5.423 -15.223 -10.207 442 HG3 GLU 52 HG1 GLU 52 3.753 -15.610 -9.789 443 HA PRO 53 HA PRO 53 4.197 -9.242 -13.106 444 HB2 PRO 53 HB2 PRO 53 3.451 -10.626 -15.626 445 HB3 PRO 53 HB1 PRO 53 4.469 -9.203 -15.381 446 HG2 PRO 53 HG2 PRO 53 5.546 -11.562 -15.994 447 HG3 PRO 53 HG1 PRO 53 6.335 -10.467 -14.844 448 HD2 PRO 53 HD2 PRO 53 4.742 -12.942 -14.319 449 HD3 PRO 53 HD1 PRO 53 6.202 -12.344 -13.505 450 H SER 54 H SER 54 2.262 -12.140 -13.365 451 HA SER 54 HA SER 54 -0.175 -11.085 -14.182 452 HB2 SER 54 HB2 SER 54 0.677 -13.485 -12.652 453 HB3 SER 54 HB1 SER 54 -1.026 -13.036 -12.544 454 HG SER 54 HG SER 54 -1.035 -14.214 -14.327 455 H ARG 55 H ARG 55 1.274 -11.186 -10.965 456 HA ARG 55 HA ARG 55 -1.078 -9.990 -9.756 457 HB2 ARG 55 HB2 ARG 55 1.572 -10.912 -8.666 458 HB3 ARG 55 HB1 ARG 55 0.405 -10.046 -7.678 459 HG2 ARG 55 HG2 ARG 55 -0.742 -11.902 -7.307 460 HG3 ARG 55 HG1 ARG 55 -0.890 -12.212 -9.038 461 HD2 ARG 55 HD2 ARG 55 1.771 -12.773 -7.963 462 HD3 ARG 55 HD1 ARG 55 0.496 -13.760 -7.249 463 HE ARG 55 HE ARG 55 0.401 -13.639 -10.120 464 HH11 ARG 55 HH11 ARG 55 1.783 -15.283 -7.369 465 HH12 ARG 55 HH12 ARG 55 2.093 -16.745 -8.242 466 HH21 ARG 55 HH21 ARG 55 0.809 -15.563 -11.269 467 HH22 ARG 55 HH22 ARG 55 1.542 -16.904 -10.456 468 H LEU 56 H LEU 56 0.889 -8.606 -11.735 469 HA LEU 56 HA LEU 56 2.280 -6.571 -10.487 470 HB2 LEU 56 HB2 LEU 56 1.053 -6.949 -13.156 471 HB3 LEU 56 HB1 LEU 56 1.481 -5.306 -12.714 472 HG LEU 56 HG LEU 56 3.489 -7.518 -12.464 473 HD11 LEU 56 HD11 LEU 56 3.182 -5.851 -14.942 474 HD12 LEU 56 HD12 LEU 56 2.437 -7.442 -14.783 475 HD13 LEU 56 HD13 LEU 56 4.190 -7.276 -14.688 476 HD21 LEU 56 HD21 LEU 56 4.199 -5.535 -11.426 477 HD22 LEU 56 HD22 LEU 56 3.574 -4.526 -12.732 478 HD23 LEU 56 HD23 LEU 56 4.995 -5.537 -13.000 479 HA PRO 57 HA PRO 57 -2.005 -3.979 -11.081 480 HB2 PRO 57 HB2 PRO 57 -3.505 -6.288 -9.898 481 HB3 PRO 57 HB1 PRO 57 -4.081 -5.009 -10.975 482 HG2 PRO 57 HG2 PRO 57 -3.513 -7.422 -11.935 483 HG3 PRO 57 HG1 PRO 57 -3.096 -5.962 -12.848 484 HD2 PRO 57 HD2 PRO 57 -1.334 -7.828 -11.360 485 HD3 PRO 57 HD1 PRO 57 -0.972 -6.818 -12.773 486 H LEU 58 H LEU 58 -1.029 -6.246 -8.562 487 HA LEU 58 HA LEU 58 -2.197 -4.961 -6.362 488 HB2 LEU 58 HB2 LEU 58 -0.298 -7.066 -6.814 489 HB3 LEU 58 HB1 LEU 58 0.257 -6.039 -5.505 490 HG LEU 58 HG LEU 58 -2.503 -7.243 -5.586 491 HD11 LEU 58 HD11 LEU 58 -0.688 -8.968 -5.577 492 HD12 LEU 58 HD12 LEU 58 -1.743 -8.990 -4.162 493 HD13 LEU 58 HD13 LEU 58 -0.132 -8.280 -4.051 494 HD21 LEU 58 HD21 LEU 58 -0.980 -6.305 -3.184 495 HD22 LEU 58 HD22 LEU 58 -2.718 -6.537 -3.380 496 HD23 LEU 58 HD23 LEU 58 -1.915 -5.180 -4.169 497 H PHE 59 H PHE 59 0.931 -4.459 -7.936 498 HA PHE 59 HA PHE 59 2.003 -2.645 -6.094 499 HB2 PHE 59 HB2 PHE 59 2.451 -2.947 -9.065 500 HB3 PHE 59 HB1 PHE 59 3.393 -1.861 -8.051 501 HD1 PHE 59 HD1 PHE 59 4.063 -3.254 -5.712 502 HD2 PHE 59 HD2 PHE 59 3.639 -4.810 -9.650 503 HE1 PHE 59 HE1 PHE 59 5.580 -5.104 -5.141 504 HE2 PHE 59 HE2 PHE 59 5.156 -6.663 -9.087 505 HZ PHE 59 HZ PHE 59 6.128 -6.812 -6.828 506 H ASP 60 H ASP 60 0.187 -2.028 -9.091 507 HA ASP 60 HA ASP 60 0.099 0.801 -8.660 508 HB2 ASP 60 HB2 ASP 60 0.007 -0.325 -10.914 509 HB3 ASP 60 HB1 ASP 60 -1.634 -0.828 -10.523 510 H ALA 61 H ALA 61 -1.876 -1.909 -7.812 511 HA ALA 61 HA ALA 61 -4.298 -0.540 -7.316 512 HB1 ALA 61 HB1 ALA 61 -4.338 -2.898 -7.633 513 HB2 ALA 61 HB2 ALA 61 -4.855 -2.577 -5.977 514 HB3 ALA 61 HB3 ALA 61 -3.218 -3.155 -6.296 515 H ILE 62 H ILE 62 -1.751 -1.663 -5.098 516 HA ILE 62 HA ILE 62 -2.934 -0.431 -2.813 517 HB ILE 62 HB ILE 62 -0.090 -1.391 -3.050 518 HG12 ILE 62 HG12 ILE 62 -2.433 -3.041 -2.110 519 HG13 ILE 62 HG11 ILE 62 -1.887 -3.068 -3.782 520 HG21 ILE 62 HG21 ILE 62 -1.218 -0.044 -1.022 521 HG22 ILE 62 HG22 ILE 62 0.036 -1.264 -0.799 522 HG23 ILE 62 HG23 ILE 62 -1.659 -1.691 -0.571 523 HD11 ILE 62 HD11 ILE 62 -1.032 -4.778 -1.919 524 HD12 ILE 62 HD12 ILE 62 0.181 -3.511 -1.734 525 HD13 ILE 62 HD13 ILE 62 -0.056 -4.282 -3.301 526 H ARG 63 H ARG 63 -0.402 0.486 -5.063 527 HA ARG 63 HA ARG 63 0.975 2.431 -3.797 528 HB2 ARG 63 HB2 ARG 63 0.240 1.887 -6.558 529 HB3 ARG 63 HB1 ARG 63 0.528 3.597 -6.266 530 HG2 ARG 63 HG2 ARG 63 2.624 2.299 -4.979 531 HG3 ARG 63 HG1 ARG 63 2.408 1.424 -6.494 532 HD2 ARG 63 HD2 ARG 63 2.350 4.378 -6.644 533 HD3 ARG 63 HD1 ARG 63 3.906 3.637 -6.271 534 HE ARG 63 HE ARG 63 3.056 2.219 -8.407 535 HH11 ARG 63 HH11 ARG 63 3.372 5.642 -7.802 536 HH12 ARG 63 HH12 ARG 63 3.685 6.033 -9.460 537 HH21 ARG 63 HH21 ARG 63 3.468 2.732 -10.587 538 HH22 ARG 63 HH22 ARG 63 3.740 4.381 -11.040 539 HA PRO 64 HA PRO 64 -2.366 5.859 -5.027 540 HB2 PRO 64 HB2 PRO 64 -4.928 4.741 -4.801 541 HB3 PRO 64 HB1 PRO 64 -4.119 5.225 -6.293 542 HG2 PRO 64 HG2 PRO 64 -4.356 2.532 -5.050 543 HG3 PRO 64 HG1 PRO 64 -4.346 2.984 -6.765 544 HD2 PRO 64 HD2 PRO 64 -2.206 1.874 -5.615 545 HD3 PRO 64 HD1 PRO 64 -2.029 3.155 -6.832 546 H LEU 65 H LEU 65 -3.749 3.307 -2.910 547 HA LEU 65 HA LEU 65 -4.672 5.180 -0.998 548 HB2 LEU 65 HB2 LEU 65 -4.965 3.186 0.480 549 HB3 LEU 65 HB1 LEU 65 -5.767 3.089 -1.075 550 HG LEU 65 HG LEU 65 -3.070 1.895 -0.956 551 HD11 LEU 65 HD11 LEU 65 -5.206 1.127 0.895 552 HD12 LEU 65 HD12 LEU 65 -3.477 0.784 0.946 553 HD13 LEU 65 HD13 LEU 65 -4.542 -0.201 -0.057 554 HD21 LEU 65 HD21 LEU 65 -5.609 1.583 -2.393 555 HD22 LEU 65 HD22 LEU 65 -4.781 0.070 -2.018 556 HD23 LEU 65 HD23 LEU 65 -3.952 1.324 -2.940 557 H ILE 66 H ILE 66 -1.533 4.123 -1.630 558 HA ILE 66 HA ILE 66 -0.620 4.303 1.109 559 HB ILE 66 HB ILE 66 0.346 2.923 -1.014 560 HG12 ILE 66 HG12 ILE 66 2.400 3.720 0.960 561 HG13 ILE 66 HG11 ILE 66 0.889 3.102 1.622 562 HG21 ILE 66 HG21 ILE 66 2.410 5.068 -0.707 563 HG22 ILE 66 HG22 ILE 66 1.149 5.201 -1.929 564 HG23 ILE 66 HG23 ILE 66 2.260 3.834 -1.957 565 HD11 ILE 66 HD11 ILE 66 1.957 1.493 -0.563 566 HD12 ILE 66 HD12 ILE 66 1.361 1.008 1.025 567 HD13 ILE 66 HD13 ILE 66 3.016 1.590 0.843 568 HA PRO 67 HA PRO 67 0.086 8.669 1.497 569 HB2 PRO 67 HB2 PRO 67 2.788 7.740 2.390 570 HB3 PRO 67 HB1 PRO 67 1.706 8.931 3.127 571 HG2 PRO 67 HG2 PRO 67 1.885 6.482 4.140 572 HG3 PRO 67 HG1 PRO 67 0.317 7.302 4.033 573 HD2 PRO 67 HD2 PRO 67 1.397 5.066 2.396 574 HD3 PRO 67 HD1 PRO 67 -0.281 5.435 2.842 575 H LEU 68 H LEU 68 0.755 10.193 0.329 576 HA LEU 68 HA LEU 68 1.749 9.931 -2.192 577 HB2 LEU 68 HB2 LEU 68 1.245 12.003 -0.227 578 HB3 LEU 68 HB1 LEU 68 2.520 12.444 -1.346 579 HG LEU 68 HG LEU 68 -0.278 11.615 -2.080 580 HD11 LEU 68 HD11 LEU 68 -0.014 14.109 -3.037 581 HD12 LEU 68 HD12 LEU 68 1.025 14.221 -1.616 582 HD13 LEU 68 HD13 LEU 68 -0.664 13.745 -1.439 583 HD21 LEU 68 HD21 LEU 68 0.313 11.513 -4.241 584 HD22 LEU 68 HD22 LEU 68 1.950 11.292 -3.621 585 HD23 LEU 68 HD23 LEU 68 1.400 12.895 -4.110 586 H LYS 69 H LYS 69 3.555 10.613 0.794 587 HA LYS 69 HA LYS 69 6.075 10.901 -0.507 588 HB2 LYS 69 HB2 LYS 69 7.014 10.685 1.786 589 HB3 LYS 69 HB1 LYS 69 5.745 11.895 1.673 590 HG2 LYS 69 HG2 LYS 69 4.320 9.691 2.377 591 HG3 LYS 69 HG1 LYS 69 5.849 9.408 3.211 592 HD2 LYS 69 HD2 LYS 69 5.087 10.761 4.814 593 HD3 LYS 69 HD1 LYS 69 5.319 12.088 3.675 594 HE2 LYS 69 HE2 LYS 69 2.883 10.979 2.946 595 HE3 LYS 69 HE1 LYS 69 2.869 10.934 4.709 596 HZ1 LYS 69 HZ1 LYS 69 2.893 13.186 4.860 597 HZ2 LYS 69 HZ2 LYS 69 2.095 13.047 3.375 598 HZ3 LYS 69 HZ3 LYS 69 3.747 13.406 3.416 599 H HIS 70 H HIS 70 4.342 8.259 1.033 600 HA HIS 70 HA HIS 70 6.426 6.349 0.908 601 HB2 HIS 70 HB2 HIS 70 3.424 6.046 1.068 602 HB3 HIS 70 HB1 HIS 70 4.540 4.687 1.146 603 HD1 HIS 70 HD1 HIS 70 3.112 4.622 3.561 604 HD2 HIS 70 HD2 HIS 70 6.134 7.437 3.112 605 HE1 HIS 70 HE1 HIS 70 3.738 5.313 5.897 606 HE2 HIS 70 HE2 HIS 70 5.613 6.970 5.603 607 H GLN 71 H GLN 71 4.014 7.465 -1.358 608 HA GLN 71 HA GLN 71 4.095 5.378 -3.220 609 HB2 GLN 71 HB2 GLN 71 3.471 8.304 -3.397 610 HB3 GLN 71 HB1 GLN 71 3.597 7.358 -4.872 611 HG2 GLN 71 HG2 GLN 71 1.936 5.761 -3.670 612 HG3 GLN 71 HG1 GLN 71 1.597 7.171 -2.668 613 HE21 GLN 71 HE21 GLN 71 0.608 8.965 -3.585 614 HE22 GLN 71 HE22 GLN 71 -0.187 8.898 -5.118 615 H VAL 72 H VAL 72 6.023 8.360 -3.025 616 HA VAL 72 HA VAL 72 7.639 7.913 -5.269 617 HB VAL 72 HB VAL 72 8.670 9.216 -2.768 618 HG11 VAL 72 HG11 VAL 72 10.382 9.304 -4.268 619 HG12 VAL 72 HG12 VAL 72 9.526 10.776 -4.730 620 HG13 VAL 72 HG13 VAL 72 9.306 9.296 -5.664 621 HG21 VAL 72 HG21 VAL 72 6.842 10.526 -2.797 622 HG22 VAL 72 HG22 VAL 72 6.405 10.045 -4.438 623 HG23 VAL 72 HG23 VAL 72 7.625 11.294 -4.180 624 H GLU 73 H GLU 73 8.281 7.214 -1.827 625 HA GLU 73 HA GLU 73 10.709 5.866 -2.208 626 HB2 GLU 73 HB2 GLU 73 9.685 6.627 -0.002 627 HB3 GLU 73 HB1 GLU 73 8.682 5.184 -0.072 628 HG2 GLU 73 HG2 GLU 73 10.903 3.909 -0.298 629 HG3 GLU 73 HG1 GLU 73 11.643 5.401 0.281 630 H TYR 74 H TYR 74 7.391 4.839 -2.524 631 HA TYR 74 HA TYR 74 7.793 2.059 -2.648 632 HB2 TYR 74 HB2 TYR 74 5.574 3.419 -2.561 633 HB3 TYR 74 HB1 TYR 74 5.728 3.480 -4.313 634 HD1 TYR 74 HD1 TYR 74 5.873 1.269 -5.574 635 HD2 TYR 74 HD2 TYR 74 4.667 1.537 -1.504 636 HE1 TYR 74 HE1 TYR 74 4.825 -0.949 -5.746 637 HE2 TYR 74 HE2 TYR 74 3.616 -0.680 -1.664 638 HH TYR 74 HH TYR 74 2.662 -2.092 -4.109 639 H ASP 75 H ASP 75 8.169 4.669 -4.938 640 HA ASP 75 HA ASP 75 8.537 3.013 -7.240 641 HB2 ASP 75 HB2 ASP 75 7.827 5.420 -7.313 642 HB3 ASP 75 HB1 ASP 75 9.462 5.863 -6.830 643 H GLN 76 H GLN 76 10.625 4.419 -4.785 644 HA GLN 76 HA GLN 76 13.091 3.931 -6.078 645 HB2 GLN 76 HB2 GLN 76 12.420 4.189 -3.143 646 HB3 GLN 76 HB1 GLN 76 14.057 4.142 -3.783 647 HG2 GLN 76 HG2 GLN 76 12.134 6.170 -4.815 648 HG3 GLN 76 HG1 GLN 76 12.910 6.415 -3.251 649 HE21 GLN 76 HE21 GLN 76 13.755 8.319 -4.420 650 HE22 GLN 76 HE22 GLN 76 15.214 8.133 -5.328 651 H LEU 77 H LEU 77 10.998 1.941 -4.101 652 HA LEU 77 HA LEU 77 12.938 -0.159 -3.774 653 HB2 LEU 77 HB2 LEU 77 10.004 0.069 -3.152 654 HB3 LEU 77 HB1 LEU 77 10.888 -1.430 -2.933 655 HG LEU 77 HG LEU 77 11.714 1.140 -1.597 656 HD11 LEU 77 HD11 LEU 77 9.803 -0.979 -0.649 657 HD12 LEU 77 HD12 LEU 77 9.519 0.756 -0.796 658 HD13 LEU 77 HD13 LEU 77 10.622 0.143 0.437 659 HD21 LEU 77 HD21 LEU 77 13.178 -0.130 -0.368 660 HD22 LEU 77 HD22 LEU 77 13.218 -0.983 -1.912 661 HD23 LEU 77 HD23 LEU 77 12.244 -1.611 -0.581 662 H THR 78 H THR 78 10.122 0.437 -5.807 663 HA THR 78 HA THR 78 9.929 -2.077 -7.010 664 HB THR 78 HB THR 78 8.933 -0.706 -8.962 665 HG1 THR 78 HG1 THR 78 9.793 1.277 -8.634 666 HG21 THR 78 HG21 THR 78 7.522 0.056 -6.476 667 HG22 THR 78 HG22 THR 78 7.747 -1.664 -6.801 668 HG23 THR 78 HG23 THR 78 6.900 -0.649 -7.968 669 HA PRO 79 HA PRO 79 13.283 -2.596 -9.804 670 HB2 PRO 79 HB2 PRO 79 11.959 -3.054 -12.209 671 HB3 PRO 79 HB1 PRO 79 12.310 -4.278 -10.985 672 HG2 PRO 79 HG2 PRO 79 9.790 -2.755 -11.474 673 HG3 PRO 79 HG1 PRO 79 10.004 -4.452 -11.012 674 HD2 PRO 79 HD2 PRO 79 9.261 -2.611 -9.219 675 HD3 PRO 79 HD1 PRO 79 10.371 -3.925 -8.778 676 H ARG 80 H ARG 80 14.028 -1.872 -12.115 677 HA ARG 80 HA ARG 80 14.250 0.910 -12.110 678 HB2 ARG 80 HB2 ARG 80 15.604 -1.017 -13.351 679 HB3 ARG 80 HB1 ARG 80 14.564 -0.548 -14.688 680 HG2 ARG 80 HG2 ARG 80 16.231 0.897 -15.113 681 HG3 ARG 80 HG1 ARG 80 15.411 1.875 -13.894 682 HD2 ARG 80 HD2 ARG 80 17.408 1.919 -12.879 683 HD3 ARG 80 HD1 ARG 80 16.998 0.287 -12.350 684 HE ARG 80 HE ARG 80 18.594 -0.542 -13.771 685 HH11 ARG 80 HH11 ARG 80 17.969 2.793 -14.586 686 HH12 ARG 80 HH12 ARG 80 19.291 2.900 -15.697 687 HH21 ARG 80 HH21 ARG 80 20.335 -0.402 -15.233 688 HH22 ARG 80 HH22 ARG 80 20.636 1.087 -16.066 689 H1 ASP 100 H ASP 100 -4.746 14.309 5.161 690 HA ASP 100 HA ASP 100 -5.258 13.270 7.696 691 HB2 ASP 100 HB2 ASP 100 -7.647 14.142 6.219 692 HB3 ASP 100 HB1 ASP 100 -7.724 12.478 6.788 693 H ASP 101 H ASP 101 -3.643 12.711 5.438 694 HA ASP 101 HA ASP 101 -4.546 10.596 3.846 695 HB2 ASP 101 HB2 ASP 101 -1.914 11.717 4.607 696 HB3 ASP 101 HB1 ASP 101 -1.900 10.053 4.036 697 H ASP 102 H ASP 102 -3.289 8.371 3.996 698 HA ASP 102 HA ASP 102 -3.168 6.343 5.017 699 HB2 ASP 102 HB2 ASP 102 -1.639 7.979 6.521 700 HB3 ASP 102 HB1 ASP 102 -2.822 7.485 7.729 701 H ARG 103 H ARG 103 -5.737 7.710 4.828 702 HA ARG 103 HA ARG 103 -7.124 6.680 7.204 703 HB2 ARG 103 HB2 ARG 103 -7.497 9.066 6.516 704 HB3 ARG 103 HB1 ARG 103 -8.233 8.468 5.035 705 HG2 ARG 103 HG2 ARG 103 -10.119 7.743 6.096 706 HG3 ARG 103 HG1 ARG 103 -9.284 7.466 7.626 707 HD2 ARG 103 HD2 ARG 103 -9.024 10.165 7.324 708 HD3 ARG 103 HD1 ARG 103 -10.606 9.874 6.600 709 HE ARG 103 HE ARG 103 -9.909 9.689 9.380 710 HH11 ARG 103 HH11 ARG 103 -12.121 8.588 6.915 711 HH12 ARG 103 HH12 ARG 103 -13.387 8.219 8.040 712 HH21 ARG 103 HH21 ARG 103 -11.572 9.206 10.860 713 HH22 ARG 103 HH22 ARG 103 -13.075 8.572 10.277 714 H TYR 104 H TYR 104 -6.947 6.424 3.709 715 HA TYR 104 HA TYR 104 -9.215 4.784 3.338 716 HB2 TYR 104 HB2 TYR 104 -6.712 5.213 1.716 717 HB3 TYR 104 HB1 TYR 104 -7.984 4.112 1.197 718 HD1 TYR 104 HD2 TYR 104 -10.374 5.117 1.030 719 HD2 TYR 104 HD1 TYR 104 -6.826 7.462 1.142 720 HE1 TYR 104 HE2 TYR 104 -11.594 6.998 0.020 721 HE2 TYR 104 HE1 TYR 104 -8.037 9.350 0.133 722 HH TYR 104 HH TYR 104 -11.323 9.567 -0.001 723 H LEU 105 H LEU 105 -5.818 4.051 3.980 724 HA LEU 105 HA LEU 105 -5.937 1.275 3.632 725 HB2 LEU 105 HB2 LEU 105 -4.113 3.201 4.871 726 HB3 LEU 105 HB1 LEU 105 -4.086 1.626 5.642 727 HG LEU 105 HG LEU 105 -3.894 1.673 2.680 728 HD11 LEU 105 HD11 LEU 105 -1.486 2.275 4.375 729 HD12 LEU 105 HD12 LEU 105 -2.413 3.530 3.553 730 HD13 LEU 105 HD13 LEU 105 -1.614 2.267 2.616 731 HD21 LEU 105 HD21 LEU 105 -3.767 -0.280 4.525 732 HD22 LEU 105 HD22 LEU 105 -2.057 0.133 4.397 733 HD23 LEU 105 HD23 LEU 105 -2.955 -0.361 2.962 734 H ARG 106 H ARG 106 -6.259 3.198 6.615 735 HA ARG 106 HA ARG 106 -6.771 1.070 8.349 736 HB2 ARG 106 HB2 ARG 106 -6.545 3.806 8.592 737 HB3 ARG 106 HB1 ARG 106 -8.233 3.526 8.995 738 HG2 ARG 106 HG2 ARG 106 -7.718 2.264 10.857 739 HG3 ARG 106 HG1 ARG 106 -6.104 1.863 10.267 740 HD2 ARG 106 HD2 ARG 106 -5.215 3.872 10.931 741 HD3 ARG 106 HD1 ARG 106 -6.758 4.716 10.815 742 HE ARG 106 HE ARG 106 -7.113 2.959 12.864 743 HH11 ARG 106 HH11 ARG 106 -4.767 5.447 12.167 744 HH12 ARG 106 HH12 ARG 106 -4.475 5.813 13.835 745 HH21 ARG 106 HH21 ARG 106 -6.732 3.441 15.058 746 HH22 ARG 106 HH22 ARG 106 -5.592 4.675 15.476 747 H GLU 107 H GLU 107 -8.899 2.865 6.211 748 HA GLU 107 HA GLU 107 -11.366 2.035 7.234 749 HB2 GLU 107 HB2 GLU 107 -10.486 2.830 4.465 750 HB3 GLU 107 HB1 GLU 107 -12.153 2.396 4.819 751 HG2 GLU 107 HG2 GLU 107 -10.758 4.500 6.417 752 HG3 GLU 107 HG1 GLU 107 -11.464 4.876 4.848 753 H ALA 108 H ALA 108 -9.568 0.671 4.466 754 HA ALA 108 HA ALA 108 -11.250 -1.603 4.222 755 HB1 ALA 108 HB1 ALA 108 -9.391 -2.485 2.781 756 HB2 ALA 108 HB2 ALA 108 -8.490 -1.019 3.169 757 HB3 ALA 108 HB3 ALA 108 -10.024 -0.908 2.306 758 H ILE 109 H ILE 109 -8.209 -0.983 5.882 759 HA ILE 109 HA ILE 109 -7.537 -3.602 6.584 760 HB ILE 109 HB ILE 109 -6.945 -0.944 7.864 761 HG12 ILE 109 HG12 ILE 109 -5.151 -2.982 6.534 762 HG13 ILE 109 HG11 ILE 109 -5.865 -1.602 5.707 763 HG21 ILE 109 HG21 ILE 109 -5.234 -2.229 9.238 764 HG22 ILE 109 HG22 ILE 109 -6.181 -3.671 8.865 765 HG23 ILE 109 HG23 ILE 109 -6.917 -2.337 9.755 766 HD11 ILE 109 HD11 ILE 109 -3.411 -1.613 6.816 767 HD12 ILE 109 HD12 ILE 109 -4.365 -0.960 8.147 768 HD13 ILE 109 HD13 ILE 109 -4.382 -0.161 6.574 769 H GLN 110 H GLN 110 -9.291 -1.170 8.536 770 HA GLN 110 HA GLN 110 -9.926 -2.973 10.619 771 HB2 GLN 110 HB2 GLN 110 -10.587 -0.211 9.908 772 HB3 GLN 110 HB1 GLN 110 -11.898 -1.044 10.730 773 HG2 GLN 110 HG2 GLN 110 -9.127 -1.145 11.839 774 HG3 GLN 110 HG1 GLN 110 -10.148 0.269 12.107 775 HE21 GLN 110 HE21 GLN 110 -12.567 -0.652 12.571 776 HE22 GLN 110 HE22 GLN 110 -12.605 -1.718 13.930 777 H GLU 111 H GLU 111 -11.527 -2.120 7.619 778 HA GLU 111 HA GLU 111 -14.062 -3.141 8.084 779 HB2 GLU 111 HB2 GLU 111 -12.559 -2.298 5.829 780 HB3 GLU 111 HB1 GLU 111 -13.235 -3.872 5.434 781 HG2 GLU 111 HG2 GLU 111 -14.912 -2.505 4.723 782 HG3 GLU 111 HG1 GLU 111 -15.439 -2.818 6.376 783 H TYR 112 H TYR 112 -11.151 -4.803 6.969 784 HA TYR 112 HA TYR 112 -12.372 -7.378 6.869 785 HB2 TYR 112 HB2 TYR 112 -10.113 -6.457 5.805 786 HB3 TYR 112 HB1 TYR 112 -9.429 -7.084 7.300 787 HD1 TYR 112 HD1 TYR 112 -11.752 -8.166 4.574 788 HD2 TYR 112 HD2 TYR 112 -8.674 -9.265 7.298 789 HE1 TYR 112 HE1 TYR 112 -11.696 -10.421 3.594 790 HE2 TYR 112 HE2 TYR 112 -8.610 -11.522 6.324 791 HH TYR 112 HH TYR 112 -10.133 -12.306 3.396 792 H ASP 113 H ASP 113 -10.689 -5.496 9.300 793 HA ASP 113 HA ASP 113 -10.245 -7.539 11.180 794 HB2 ASP 113 HB2 ASP 113 -9.464 -5.035 11.152 795 HB3 ASP 113 HB1 ASP 113 -10.966 -4.751 12.028 796 H ASN 114 H ASN 114 -13.076 -5.726 10.274 797 HA ASN 114 HA ASN 114 -14.630 -6.578 12.551 798 HB2 ASN 114 HB2 ASN 114 -14.975 -4.746 10.290 799 HB3 ASN 114 HB1 ASN 114 -16.437 -5.646 10.687 800 HD21 ASN 114 HD21 ASN 114 -17.627 -4.091 11.618 801 HD22 ASN 114 HD22 ASN 114 -17.171 -3.227 13.042 802 H ILE 115 H ILE 115 -14.184 -7.524 9.192 803 HA ILE 115 HA ILE 115 -16.390 -9.284 9.019 804 HB ILE 115 HB ILE 115 -13.774 -9.311 7.507 805 HG12 ILE 115 HG12 ILE 115 -16.485 -8.334 6.603 806 HG13 ILE 115 HG11 ILE 115 -15.273 -7.276 7.317 807 HG21 ILE 115 HG21 ILE 115 -14.679 -11.484 7.290 808 HG22 ILE 115 HG22 ILE 115 -15.114 -10.622 5.816 809 HG23 ILE 115 HG23 ILE 115 -16.315 -10.861 7.085 810 HD11 ILE 115 HD11 ILE 115 -14.760 -8.938 4.870 811 HD12 ILE 115 HD12 ILE 115 -13.793 -7.607 5.504 812 HD13 ILE 115 HD13 ILE 115 -15.383 -7.290 4.812 813 H ALA 116 H ALA 116 -13.154 -9.636 10.288 814 HA ALA 116 HA ALA 116 -13.505 -12.507 10.657 815 HB1 ALA 116 HB1 ALA 116 -11.093 -11.198 11.730 816 HB2 ALA 116 HB2 ALA 116 -11.312 -11.098 9.983 817 HB3 ALA 116 HB3 ALA 116 -11.257 -12.672 10.775 818 H LYS 117 H LYS 117 -15.335 -11.093 12.116 819 HA LYS 117 HA LYS 117 -14.358 -11.458 14.862 820 HB2 LYS 117 HB2 LYS 117 -16.056 -9.254 13.731 821 HB3 LYS 117 HB1 LYS 117 -16.133 -9.668 15.437 822 HG2 LYS 117 HG2 LYS 117 -13.441 -9.445 15.025 823 HG3 LYS 117 HG1 LYS 117 -14.092 -8.209 13.948 824 HD2 LYS 117 HD2 LYS 117 -15.328 -8.271 16.605 825 HD3 LYS 117 HD1 LYS 117 -13.609 -7.872 16.613 826 HE2 LYS 117 HE2 LYS 117 -13.947 -6.021 15.164 827 HE3 LYS 117 HE1 LYS 117 -15.601 -6.516 14.810 828 HZ1 LYS 117 HZ1 LYS 117 -16.369 -5.629 16.716 829 HZ2 LYS 117 HZ2 LYS 117 -14.986 -4.662 16.604 830 HZ3 LYS 117 HZ3 LYS 117 -14.985 -6.023 17.608 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -15.930 6.707 -1.030 2 H2 MET 1 HT2 MET 1 -15.290 8.246 -0.619 3 H3 MET 1 HT3 MET 1 -16.914 8.104 -1.152 4 HA MET 1 HA MET 1 -16.611 8.420 1.257 5 HB2 MET 1 HB2 MET 1 -17.972 5.929 0.209 6 HB3 MET 1 HB1 MET 1 -18.292 6.654 1.779 7 HG2 MET 1 HG2 MET 1 -18.681 8.785 0.180 8 HG3 MET 1 HG1 MET 1 -19.160 7.480 -0.905 9 HE1 MET 1 HE1 MET 1 -20.911 9.382 -0.671 10 HE2 MET 1 HE2 MET 1 -21.913 9.666 0.753 11 HE3 MET 1 HE3 MET 1 -22.394 8.457 -0.437 12 H ASP 2 H ASP 2 -16.825 6.575 3.135 13 HA ASP 2 HA ASP 2 -14.181 5.296 3.154 14 HB2 ASP 2 HB2 ASP 2 -16.008 6.064 5.441 15 HB3 ASP 2 HB1 ASP 2 -14.448 5.267 5.625 16 H ARG 3 H ARG 3 -15.519 3.714 1.709 17 HA ARG 3 HA ARG 3 -15.931 1.357 3.265 18 HB2 ARG 3 HB2 ARG 3 -18.261 2.943 2.395 19 HB3 ARG 3 HB1 ARG 3 -18.345 1.229 2.012 20 HG2 ARG 3 HG2 ARG 3 -17.748 0.841 4.469 21 HG3 ARG 3 HG1 ARG 3 -18.159 2.542 4.698 22 HD2 ARG 3 HD2 ARG 3 -20.348 1.918 3.455 23 HD3 ARG 3 HD1 ARG 3 -19.918 0.262 3.882 24 HE ARG 3 HE ARG 3 -19.775 1.898 6.170 25 HH11 ARG 3 HH11 ARG 3 -22.115 0.477 4.005 26 HH12 ARG 3 HH12 ARG 3 -23.364 0.403 5.202 27 HH21 ARG 3 HH21 ARG 3 -21.418 1.800 7.746 28 HH22 ARG 3 HH22 ARG 3 -22.969 1.154 7.325 29 H LYS 4 H LYS 4 -16.710 2.873 0.140 30 HA LYS 4 HA LYS 4 -16.546 0.522 -1.393 31 HB2 LYS 4 HB2 LYS 4 -16.886 3.341 -1.868 32 HB3 LYS 4 HB1 LYS 4 -15.749 2.677 -3.033 33 HG2 LYS 4 HG2 LYS 4 -17.829 0.832 -2.940 34 HG3 LYS 4 HG1 LYS 4 -18.616 2.411 -2.898 35 HD2 LYS 4 HD2 LYS 4 -18.372 1.755 -5.190 36 HD3 LYS 4 HD1 LYS 4 -17.240 3.070 -4.871 37 HE2 LYS 4 HE2 LYS 4 -15.464 1.357 -4.515 38 HE3 LYS 4 HE1 LYS 4 -16.614 0.127 -5.035 39 HZ1 LYS 4 HZ1 LYS 4 -16.829 1.450 -7.142 40 HZ2 LYS 4 HZ2 LYS 4 -15.337 0.690 -6.914 41 HZ3 LYS 4 HZ3 LYS 4 -15.489 2.352 -6.635 42 H VAL 5 H VAL 5 -14.097 2.752 -0.261 43 HA VAL 5 HA VAL 5 -11.982 2.144 -1.940 44 HB VAL 5 HB VAL 5 -11.754 2.554 1.046 45 HG11 VAL 5 HG11 VAL 5 -9.789 1.863 -0.676 46 HG12 VAL 5 HG12 VAL 5 -9.536 2.835 0.774 47 HG13 VAL 5 HG13 VAL 5 -9.720 3.622 -0.793 48 HG21 VAL 5 HG21 VAL 5 -12.273 4.714 0.820 49 HG22 VAL 5 HG22 VAL 5 -12.937 4.282 -0.756 50 HG23 VAL 5 HG23 VAL 5 -11.284 4.882 -0.630 51 H ALA 6 H ALA 6 -13.296 0.345 0.771 52 HA ALA 6 HA ALA 6 -11.227 -1.619 0.848 53 HB1 ALA 6 HB1 ALA 6 -12.626 -1.131 2.800 54 HB2 ALA 6 HB2 ALA 6 -12.704 -2.835 2.352 55 HB3 ALA 6 HB3 ALA 6 -14.034 -1.752 1.940 56 H ARG 7 H ARG 7 -14.384 -1.361 -0.697 57 HA ARG 7 HA ARG 7 -14.489 -4.033 -1.647 58 HB2 ARG 7 HB2 ARG 7 -15.912 -1.495 -2.396 59 HB3 ARG 7 HB1 ARG 7 -16.148 -2.966 -3.329 60 HG2 ARG 7 HG2 ARG 7 -17.691 -3.598 -1.880 61 HG3 ARG 7 HG1 ARG 7 -16.450 -3.687 -0.629 62 HD2 ARG 7 HD2 ARG 7 -16.808 -1.170 -0.352 63 HD3 ARG 7 HD1 ARG 7 -18.276 -1.398 -1.300 64 HE ARG 7 HE ARG 7 -17.866 -2.115 1.437 65 HH11 ARG 7 HH11 ARG 7 -19.632 -2.936 -1.460 66 HH12 ARG 7 HH12 ARG 7 -20.945 -3.669 -0.601 67 HH21 ARG 7 HH21 ARG 7 -19.592 -3.079 2.568 68 HH22 ARG 7 HH22 ARG 7 -20.923 -3.750 1.685 69 H GLU 8 H GLU 8 -13.224 -1.036 -2.983 70 HA GLU 8 HA GLU 8 -12.695 -2.081 -5.574 71 HB2 GLU 8 HB2 GLU 8 -11.818 0.357 -4.064 72 HB3 GLU 8 HB1 GLU 8 -11.038 -0.055 -5.586 73 HG2 GLU 8 HG2 GLU 8 -13.782 -0.243 -6.077 74 HG3 GLU 8 HG1 GLU 8 -13.568 1.214 -5.108 75 H PHE 9 H PHE 9 -10.627 -1.491 -2.739 76 HA PHE 9 HA PHE 9 -8.283 -2.573 -3.892 77 HB2 PHE 9 HB2 PHE 9 -8.264 -1.086 -1.913 78 HB3 PHE 9 HB1 PHE 9 -9.022 -2.360 -0.963 79 HD1 PHE 9 HD2 PHE 9 -7.770 -4.382 -0.378 80 HD2 PHE 9 HD1 PHE 9 -5.938 -1.148 -2.450 81 HE1 PHE 9 HE2 PHE 9 -5.551 -5.286 0.180 82 HE2 PHE 9 HE1 PHE 9 -3.717 -2.046 -1.896 83 HZ PHE 9 HZ PHE 9 -3.520 -4.118 -0.578 84 H ARG 10 H ARG 10 -10.873 -3.951 -1.933 85 HA ARG 10 HA ARG 10 -9.675 -6.517 -1.648 86 HB2 ARG 10 HB2 ARG 10 -11.482 -5.575 -0.172 87 HB3 ARG 10 HB1 ARG 10 -12.615 -5.841 -1.489 88 HG2 ARG 10 HG2 ARG 10 -11.368 -8.286 -1.212 89 HG3 ARG 10 HG1 ARG 10 -11.536 -7.712 0.448 90 HD2 ARG 10 HD2 ARG 10 -13.955 -7.209 -0.122 91 HD3 ARG 10 HD1 ARG 10 -13.696 -8.128 -1.605 92 HE ARG 10 HE ARG 10 -12.947 -9.543 0.784 93 HH11 ARG 10 HH11 ARG 10 -15.572 -8.777 -1.385 94 HH12 ARG 10 HH12 ARG 10 -16.494 -10.180 -0.965 95 HH21 ARG 10 HH21 ARG 10 -14.159 -11.390 1.338 96 HH22 ARG 10 HH22 ARG 10 -15.693 -11.663 0.582 97 H HIS 11 H HIS 11 -12.011 -5.120 -3.912 98 HA HIS 11 HA HIS 11 -12.612 -7.514 -5.279 99 HB2 HIS 11 HB2 HIS 11 -14.003 -5.498 -5.471 100 HB3 HIS 11 HB1 HIS 11 -12.689 -4.660 -6.290 101 HD1 HIS 11 HD1 HIS 11 -14.514 -4.363 -8.233 102 HD2 HIS 11 HD2 HIS 11 -13.157 -8.235 -7.575 103 HE1 HIS 11 HE1 HIS 11 -15.164 -5.661 -10.287 104 HE2 HIS 11 HE2 HIS 11 -14.268 -7.984 -9.896 105 H LYS 12 H LYS 12 -10.264 -4.937 -5.994 106 HA LYS 12 HA LYS 12 -9.236 -6.046 -8.350 107 HB2 LYS 12 HB2 LYS 12 -8.292 -4.064 -6.350 108 HB3 LYS 12 HB1 LYS 12 -7.073 -4.765 -7.405 109 HG2 LYS 12 HG2 LYS 12 -7.802 -2.759 -8.423 110 HG3 LYS 12 HG1 LYS 12 -8.503 -4.088 -9.350 111 HD2 LYS 12 HD2 LYS 12 -10.574 -3.798 -7.897 112 HD3 LYS 12 HD1 LYS 12 -9.857 -2.276 -7.367 113 HE2 LYS 12 HE2 LYS 12 -9.814 -1.461 -9.642 114 HE3 LYS 12 HE1 LYS 12 -10.406 -3.011 -10.240 115 HZ1 LYS 12 HZ1 LYS 12 -11.851 -0.872 -8.864 116 HZ2 LYS 12 HZ2 LYS 12 -12.341 -2.463 -8.565 117 HZ3 LYS 12 HZ3 LYS 12 -12.345 -1.860 -10.145 118 H VAL 13 H VAL 13 -7.985 -6.271 -5.023 119 HA VAL 13 HA VAL 13 -5.861 -7.986 -5.493 120 HB VAL 13 HB VAL 13 -7.637 -7.909 -3.045 121 HG11 VAL 13 HG11 VAL 13 -6.241 -9.942 -3.186 122 HG12 VAL 13 HG12 VAL 13 -5.784 -8.893 -1.844 123 HG13 VAL 13 HG13 VAL 13 -4.808 -8.921 -3.313 124 HG21 VAL 13 HG21 VAL 13 -6.288 -5.817 -3.988 125 HG22 VAL 13 HG22 VAL 13 -4.971 -6.612 -3.125 126 HG23 VAL 13 HG23 VAL 13 -6.437 -6.144 -2.261 127 H ASP 14 H ASP 14 -9.281 -8.699 -5.074 128 HA ASP 14 HA ASP 14 -8.972 -11.523 -4.934 129 HB2 ASP 14 HB2 ASP 14 -10.996 -10.019 -4.256 130 HB3 ASP 14 HB1 ASP 14 -11.471 -10.204 -5.941 131 H PHE 15 H PHE 15 -9.258 -9.228 -7.557 132 HA PHE 15 HA PHE 15 -9.915 -11.112 -9.583 133 HB2 PHE 15 HB2 PHE 15 -10.317 -8.680 -9.814 134 HB3 PHE 15 HB1 PHE 15 -8.578 -8.411 -9.860 135 HD1 PHE 15 HD1 PHE 15 -11.168 -10.470 -11.588 136 HD2 PHE 15 HD2 PHE 15 -7.589 -8.189 -11.917 137 HE1 PHE 15 HE1 PHE 15 -11.186 -10.798 -14.028 138 HE2 PHE 15 HE2 PHE 15 -7.601 -8.513 -14.355 139 HZ PHE 15 HZ PHE 15 -9.401 -9.818 -15.414 140 H LEU 16 H LEU 16 -6.940 -9.945 -8.191 141 HA LEU 16 HA LEU 16 -5.319 -11.299 -10.190 142 HB2 LEU 16 HB2 LEU 16 -4.125 -10.079 -7.756 143 HB3 LEU 16 HB1 LEU 16 -3.525 -10.102 -9.402 144 HG LEU 16 HG LEU 16 -5.955 -8.477 -8.737 145 HD11 LEU 16 HD11 LEU 16 -3.959 -8.039 -7.145 146 HD12 LEU 16 HD12 LEU 16 -4.745 -6.676 -7.941 147 HD13 LEU 16 HD13 LEU 16 -3.215 -7.296 -8.561 148 HD21 LEU 16 HD21 LEU 16 -3.823 -8.488 -10.841 149 HD22 LEU 16 HD22 LEU 16 -4.786 -7.043 -10.531 150 HD23 LEU 16 HD23 LEU 16 -5.576 -8.538 -11.029 151 H ILE 17 H ILE 17 -5.964 -11.502 -6.725 152 HA ILE 17 HA ILE 17 -4.376 -13.906 -6.456 153 HB ILE 17 HB ILE 17 -5.957 -12.248 -4.507 154 HG12 ILE 17 HG12 ILE 17 -3.588 -12.317 -3.437 155 HG13 ILE 17 HG11 ILE 17 -3.073 -12.843 -5.035 156 HG21 ILE 17 HG21 ILE 17 -4.644 -13.984 -2.901 157 HG22 ILE 17 HG22 ILE 17 -5.101 -15.047 -4.230 158 HG23 ILE 17 HG23 ILE 17 -6.339 -14.144 -3.354 159 HD11 ILE 17 HD11 ILE 17 -3.647 -10.818 -6.018 160 HD12 ILE 17 HD12 ILE 17 -2.946 -10.352 -4.468 161 HD13 ILE 17 HD13 ILE 17 -4.695 -10.358 -4.678 162 H GLU 18 H GLU 18 -7.733 -13.161 -5.571 163 HA GLU 18 HA GLU 18 -9.607 -14.383 -5.616 164 HB2 GLU 18 HB2 GLU 18 -9.227 -14.427 -8.025 165 HB3 GLU 18 HB1 GLU 18 -8.202 -15.846 -7.841 166 HG2 GLU 18 HG2 GLU 18 -9.991 -17.205 -7.253 167 HG3 GLU 18 HG1 GLU 18 -11.044 -15.827 -6.938 168 H ASN 19 H ASN 19 -6.895 -15.487 -4.493 169 HA ASN 19 HA ASN 19 -7.860 -18.164 -3.812 170 HB2 ASN 19 HB2 ASN 19 -5.218 -17.029 -4.280 171 HB3 ASN 19 HB1 ASN 19 -5.294 -17.925 -2.766 172 HD21 ASN 19 HD21 ASN 19 -6.185 -18.182 -6.183 173 HD22 ASN 19 HD22 ASN 19 -5.859 -19.872 -6.319 174 H ASP 20 H ASP 20 -6.733 -18.725 -1.470 175 HA ASP 20 HA ASP 20 -7.876 -16.718 0.345 176 HB2 ASP 20 HB2 ASP 20 -8.792 -19.170 0.162 177 HB3 ASP 20 HB1 ASP 20 -7.400 -19.559 1.167 178 H ALA 21 H ALA 21 -5.259 -19.115 0.099 179 HA ALA 21 HA ALA 21 -3.860 -18.365 2.393 180 HB1 ALA 21 HB1 ALA 21 -3.161 -20.375 1.496 181 HB2 ALA 21 HB2 ALA 21 -1.844 -19.294 1.040 182 HB3 ALA 21 HB3 ALA 21 -3.075 -19.731 -0.145 183 H GLU 22 H GLU 22 -3.685 -17.127 -0.903 184 HA GLU 22 HA GLU 22 -1.480 -15.401 -0.448 185 HB2 GLU 22 HB2 GLU 22 -3.540 -15.703 -2.586 186 HB3 GLU 22 HB1 GLU 22 -2.610 -14.211 -2.533 187 HG2 GLU 22 HG2 GLU 22 -0.574 -15.351 -2.867 188 HG3 GLU 22 HG1 GLU 22 -1.317 -16.920 -2.557 189 H LYS 23 H LYS 23 -4.995 -14.886 -0.461 190 HA LYS 23 HA LYS 23 -4.902 -12.120 0.095 191 HB2 LYS 23 HB2 LYS 23 -6.890 -13.832 -0.544 192 HB3 LYS 23 HB1 LYS 23 -7.168 -13.693 1.185 193 HG2 LYS 23 HG2 LYS 23 -7.283 -11.243 0.939 194 HG3 LYS 23 HG1 LYS 23 -7.093 -11.435 -0.804 195 HD2 LYS 23 HD2 LYS 23 -9.246 -12.997 0.503 196 HD3 LYS 23 HD1 LYS 23 -9.482 -11.252 0.372 197 HE2 LYS 23 HE2 LYS 23 -9.550 -11.297 -1.922 198 HE3 LYS 23 HE1 LYS 23 -8.566 -12.757 -2.028 199 HZ1 LYS 23 HZ1 LYS 23 -11.151 -12.782 -2.466 200 HZ2 LYS 23 HZ2 LYS 23 -11.201 -12.998 -0.790 201 HZ3 LYS 23 HZ3 LYS 23 -10.356 -14.097 -1.760 202 H ASP 24 H ASP 24 -4.731 -14.971 2.110 203 HA ASP 24 HA ASP 24 -5.186 -13.747 4.601 204 HB2 ASP 24 HB2 ASP 24 -5.119 -16.229 4.150 205 HB3 ASP 24 HB1 ASP 24 -3.364 -16.103 4.070 206 H TYR 25 H TYR 25 -2.153 -14.497 2.891 207 HA TYR 25 HA TYR 25 -0.493 -13.201 4.789 208 HB2 TYR 25 HB2 TYR 25 0.308 -14.940 3.192 209 HB3 TYR 25 HB1 TYR 25 0.100 -13.787 1.879 210 HD1 TYR 25 HD1 TYR 25 1.872 -14.163 5.143 211 HD2 TYR 25 HD2 TYR 25 1.894 -12.466 1.241 212 HE1 TYR 25 HE1 TYR 25 4.151 -13.326 5.526 213 HE2 TYR 25 HE2 TYR 25 4.173 -11.625 1.613 214 HH TYR 25 HH TYR 25 5.689 -11.114 3.355 215 H LEU 26 H LEU 26 -1.851 -12.151 1.671 216 HA LEU 26 HA LEU 26 -0.600 -9.643 1.597 217 HB2 LEU 26 HB2 LEU 26 -2.154 -10.863 -0.150 218 HB3 LEU 26 HB1 LEU 26 -3.428 -9.965 0.656 219 HG LEU 26 HG LEU 26 -1.031 -8.798 -0.757 220 HD11 LEU 26 HD11 LEU 26 -2.470 -8.127 -2.444 221 HD12 LEU 26 HD12 LEU 26 -3.906 -8.335 -1.440 222 HD13 LEU 26 HD13 LEU 26 -3.048 -9.747 -2.056 223 HD21 LEU 26 HD21 LEU 26 -2.505 -6.663 -0.310 224 HD22 LEU 26 HD22 LEU 26 -1.337 -7.233 0.881 225 HD23 LEU 26 HD23 LEU 26 -3.050 -7.608 1.075 226 H TYR 27 H TYR 27 -3.595 -10.742 3.094 227 HA TYR 27 HA TYR 27 -4.419 -8.253 4.126 228 HB2 TYR 27 HB2 TYR 27 -5.028 -11.102 4.677 229 HB3 TYR 27 HB1 TYR 27 -5.323 -9.992 6.010 230 HD1 TYR 27 HD1 TYR 27 -6.461 -7.659 4.994 231 HD2 TYR 27 HD2 TYR 27 -6.939 -11.612 3.499 232 HE1 TYR 27 HE1 TYR 27 -8.611 -7.012 3.990 233 HE2 TYR 27 HE2 TYR 27 -9.089 -10.978 2.490 234 HH TYR 27 HH TYR 27 -10.836 -9.279 2.792 235 H ASP 28 H ASP 28 -2.093 -10.670 5.161 236 HA ASP 28 HA ASP 28 -1.615 -9.540 7.741 237 HB2 ASP 28 HB2 ASP 28 -1.104 -11.930 6.967 238 HB3 ASP 28 HB1 ASP 28 0.317 -11.252 6.181 239 H VAL 29 H VAL 29 -0.297 -9.087 4.506 240 HA VAL 29 HA VAL 29 2.016 -7.648 5.222 241 HB VAL 29 HB VAL 29 0.350 -7.376 2.713 242 HG11 VAL 29 HG11 VAL 29 2.464 -6.555 1.705 243 HG12 VAL 29 HG12 VAL 29 3.182 -6.533 3.316 244 HG13 VAL 29 HG13 VAL 29 1.815 -5.481 2.944 245 HG21 VAL 29 HG21 VAL 29 2.541 -9.252 3.517 246 HG22 VAL 29 HG22 VAL 29 2.280 -8.842 1.822 247 HG23 VAL 29 HG23 VAL 29 0.993 -9.608 2.753 248 H LEU 30 H LEU 30 -1.272 -6.563 4.422 249 HA LEU 30 HA LEU 30 -0.782 -3.806 4.692 250 HB2 LEU 30 HB2 LEU 30 -3.325 -5.384 5.078 251 HB3 LEU 30 HB1 LEU 30 -3.253 -3.634 5.016 252 HG LEU 30 HG LEU 30 -2.120 -5.154 2.720 253 HD11 LEU 30 HD11 LEU 30 -4.031 -6.318 2.506 254 HD12 LEU 30 HD12 LEU 30 -4.664 -4.794 1.888 255 HD13 LEU 30 HD13 LEU 30 -4.931 -5.240 3.573 256 HD21 LEU 30 HD21 LEU 30 -3.058 -3.229 1.491 257 HD22 LEU 30 HD22 LEU 30 -1.922 -2.748 2.752 258 HD23 LEU 30 HD23 LEU 30 -3.659 -2.578 3.016 259 H ARG 31 H ARG 31 -1.962 -6.230 6.979 260 HA ARG 31 HA ARG 31 -2.423 -4.578 9.169 261 HB2 ARG 31 HB2 ARG 31 -2.622 -7.252 8.710 262 HB3 ARG 31 HB1 ARG 31 -1.226 -7.208 9.778 263 HG2 ARG 31 HG2 ARG 31 -2.521 -6.029 11.459 264 HG3 ARG 31 HG1 ARG 31 -3.918 -6.001 10.381 265 HD2 ARG 31 HD2 ARG 31 -4.327 -7.798 11.825 266 HD3 ARG 31 HD1 ARG 31 -3.722 -8.546 10.347 267 HE ARG 31 HE ARG 31 -1.953 -9.340 11.540 268 HH11 ARG 31 HH11 ARG 31 -3.333 -6.654 13.288 269 HH12 ARG 31 HH12 ARG 31 -2.301 -6.856 14.664 270 HH21 ARG 31 HH21 ARG 31 -0.594 -9.608 13.350 271 HH22 ARG 31 HH22 ARG 31 -0.746 -8.533 14.699 272 H MET 32 H MET 32 0.553 -5.865 7.866 273 HA MET 32 HA MET 32 2.193 -5.225 10.107 274 HB2 MET 32 HB2 MET 32 2.571 -6.248 7.382 275 HB3 MET 32 HB1 MET 32 3.897 -5.243 7.949 276 HG2 MET 32 HG2 MET 32 2.827 -7.474 9.629 277 HG3 MET 32 HG1 MET 32 3.998 -7.776 8.347 278 HE1 MET 32 HE1 MET 32 5.814 -8.423 11.376 279 HE2 MET 32 HE2 MET 32 4.074 -8.555 11.114 280 HE3 MET 32 HE3 MET 32 4.701 -7.458 12.345 281 H TYR 33 H TYR 33 1.670 -3.665 6.947 282 HA TYR 33 HA TYR 33 3.320 -1.457 7.326 283 HB2 TYR 33 HB2 TYR 33 2.002 -2.245 5.223 284 HB3 TYR 33 HB1 TYR 33 0.716 -1.220 5.848 285 HD1 TYR 33 HD1 TYR 33 4.426 -0.789 5.680 286 HD2 TYR 33 HD2 TYR 33 0.597 0.707 4.579 287 HE1 TYR 33 HE1 TYR 33 5.494 1.170 4.647 288 HE2 TYR 33 HE2 TYR 33 1.657 2.670 3.543 289 HH TYR 33 HH TYR 33 4.489 2.925 2.552 290 H HIS 34 H HIS 34 0.225 -2.187 8.688 291 HA HIS 34 HA HIS 34 -0.342 0.537 9.456 292 HB2 HIS 34 HB2 HIS 34 -2.019 -1.418 8.988 293 HB3 HIS 34 HB1 HIS 34 -1.704 -1.843 10.667 294 HD1 HIS 34 HD1 HIS 34 -2.500 -0.139 12.485 295 HD2 HIS 34 HD2 HIS 34 -3.632 0.804 8.600 296 HE1 HIS 34 HE1 HIS 34 -4.275 1.627 12.712 297 HE2 HIS 34 HE2 HIS 34 -4.866 2.259 10.345 298 H GLN 35 H GLN 35 0.781 -2.422 11.042 299 HA GLN 35 HA GLN 35 0.984 -1.180 13.619 300 HB2 GLN 35 HB2 GLN 35 1.244 -3.848 12.517 301 HB3 GLN 35 HB1 GLN 35 2.514 -3.505 13.685 302 HG2 GLN 35 HG2 GLN 35 0.182 -2.562 14.872 303 HG3 GLN 35 HG1 GLN 35 -0.275 -4.085 14.110 304 HE21 GLN 35 HE21 GLN 35 1.162 -5.942 14.569 305 HE22 GLN 35 HE22 GLN 35 1.830 -6.075 16.157 306 H THR 36 H THR 36 3.464 -2.630 11.521 307 HA THR 36 HA THR 36 5.577 -1.315 12.935 308 HB THR 36 HB THR 36 5.958 -3.507 11.985 309 HG1 THR 36 HG1 THR 36 7.465 -1.541 10.608 310 HG21 THR 36 HG21 THR 36 5.110 -2.229 9.449 311 HG22 THR 36 HG22 THR 36 4.784 -3.846 10.070 312 HG23 THR 36 HG23 THR 36 6.366 -3.464 9.390 313 H MET 37 H MET 37 3.886 -0.743 9.899 314 HA MET 37 HA MET 37 3.902 1.025 8.462 315 HB2 MET 37 HB2 MET 37 5.000 2.330 10.943 316 HB3 MET 37 HB1 MET 37 4.767 3.231 9.452 317 HG2 MET 37 HG2 MET 37 2.475 1.653 10.457 318 HG3 MET 37 HG1 MET 37 2.925 3.101 11.354 319 HE1 MET 37 HE1 MET 37 -0.277 3.667 9.258 320 HE2 MET 37 HE2 MET 37 0.380 2.270 10.109 321 HE3 MET 37 HE3 MET 37 0.326 2.283 8.346 322 H ASP 38 H ASP 38 5.796 -0.696 7.848 323 HA ASP 38 HA ASP 38 8.158 0.966 7.260 324 HB2 ASP 38 HB2 ASP 38 8.236 -1.255 8.801 325 HB3 ASP 38 HB1 ASP 38 8.487 -1.973 7.214 326 H VAL 39 H VAL 39 8.122 1.535 5.197 327 HA VAL 39 HA VAL 39 6.586 0.361 3.188 328 HB VAL 39 HB VAL 39 9.150 1.880 2.715 329 HG11 VAL 39 HG11 VAL 39 6.733 1.236 1.079 330 HG12 VAL 39 HG12 VAL 39 8.440 1.125 0.650 331 HG13 VAL 39 HG13 VAL 39 7.656 2.703 0.753 332 HG21 VAL 39 HG21 VAL 39 7.238 3.766 2.516 333 HG22 VAL 39 HG22 VAL 39 8.167 3.469 3.985 334 HG23 VAL 39 HG23 VAL 39 6.558 2.770 3.803 335 H ALA 40 H ALA 40 9.646 -0.574 4.481 336 HA ALA 40 HA ALA 40 10.551 -2.072 2.224 337 HB1 ALA 40 HB1 ALA 40 11.778 -1.168 4.446 338 HB2 ALA 40 HB2 ALA 40 12.412 -2.473 3.443 339 HB3 ALA 40 HB3 ALA 40 11.502 -2.848 4.907 340 H VAL 41 H VAL 41 8.476 -2.655 4.949 341 HA VAL 41 HA VAL 41 8.505 -5.500 4.746 342 HB VAL 41 HB VAL 41 6.551 -3.648 6.121 343 HG11 VAL 41 HG11 VAL 41 5.227 -5.473 6.117 344 HG12 VAL 41 HG12 VAL 41 6.299 -6.018 7.407 345 HG13 VAL 41 HG13 VAL 41 6.561 -6.568 5.751 346 HG21 VAL 41 HG21 VAL 41 7.780 -3.893 8.050 347 HG22 VAL 41 HG22 VAL 41 9.056 -3.884 6.836 348 HG23 VAL 41 HG23 VAL 41 8.507 -5.410 7.525 349 H LEU 42 H LEU 42 6.174 -2.975 3.817 350 HA LEU 42 HA LEU 42 4.253 -4.614 2.655 351 HB2 LEU 42 HB2 LEU 42 4.804 -1.830 2.823 352 HB3 LEU 42 HB1 LEU 42 4.455 -2.200 1.146 353 HG LEU 42 HG LEU 42 2.663 -2.857 3.481 354 HD11 LEU 42 HD11 LEU 42 2.081 -0.865 1.324 355 HD12 LEU 42 HD12 LEU 42 2.987 -0.402 2.764 356 HD13 LEU 42 HD13 LEU 42 1.346 -1.028 2.920 357 HD21 LEU 42 HD21 LEU 42 1.125 -3.724 1.972 358 HD22 LEU 42 HD22 LEU 42 2.662 -4.340 1.366 359 HD23 LEU 42 HD23 LEU 42 1.899 -2.953 0.588 360 H VAL 43 H VAL 43 7.092 -3.066 1.184 361 HA VAL 43 HA VAL 43 6.628 -4.020 -1.434 362 HB VAL 43 HB VAL 43 9.298 -3.316 -0.208 363 HG11 VAL 43 HG11 VAL 43 8.751 -2.728 -3.032 364 HG12 VAL 43 HG12 VAL 43 8.820 -4.445 -2.631 365 HG13 VAL 43 HG13 VAL 43 10.193 -3.398 -2.268 366 HG21 VAL 43 HG21 VAL 43 8.878 -1.103 -0.463 367 HG22 VAL 43 HG22 VAL 43 7.216 -1.636 -0.206 368 HG23 VAL 43 HG23 VAL 43 7.807 -1.351 -1.842 369 H GLY 44 H GLY 44 8.609 -5.272 1.241 370 HA2 GLY 44 HA2 GLY 44 9.800 -7.409 -0.107 371 HA3 GLY 44 HA1 GLY 44 9.480 -7.362 1.621 372 H ASP 45 H ASP 45 6.877 -7.503 1.932 373 HA ASP 45 HA ASP 45 6.238 -10.179 1.378 374 HB2 ASP 45 HB2 ASP 45 4.230 -8.025 2.044 375 HB3 ASP 45 HB1 ASP 45 4.131 -9.744 2.409 376 H LEU 46 H LEU 46 5.072 -7.161 -0.095 377 HA LEU 46 HA LEU 46 3.191 -8.171 -1.827 378 HB2 LEU 46 HB2 LEU 46 4.955 -5.796 -1.826 379 HB3 LEU 46 HB1 LEU 46 4.231 -6.220 -3.366 380 HG LEU 46 HG LEU 46 2.684 -5.709 -0.821 381 HD11 LEU 46 HD11 LEU 46 3.961 -3.802 -2.192 382 HD12 LEU 46 HD12 LEU 46 2.394 -3.550 -1.424 383 HD13 LEU 46 HD13 LEU 46 2.483 -3.902 -3.149 384 HD21 LEU 46 HD21 LEU 46 0.734 -5.992 -2.034 385 HD22 LEU 46 HD22 LEU 46 1.761 -7.269 -2.679 386 HD23 LEU 46 HD23 LEU 46 1.542 -5.774 -3.586 387 H LYS 47 H LYS 47 6.703 -7.998 -2.299 388 HA LYS 47 HA LYS 47 6.704 -8.956 -4.959 389 HB2 LYS 47 HB2 LYS 47 8.822 -9.031 -2.805 390 HB3 LYS 47 HB1 LYS 47 9.104 -9.563 -4.457 391 HG2 LYS 47 HG2 LYS 47 8.331 -6.788 -3.586 392 HG3 LYS 47 HG1 LYS 47 9.922 -7.312 -4.140 393 HD2 LYS 47 HD2 LYS 47 8.454 -8.106 -6.231 394 HD3 LYS 47 HD1 LYS 47 7.449 -6.765 -5.676 395 HE2 LYS 47 HE2 LYS 47 10.021 -5.749 -5.582 396 HE3 LYS 47 HE1 LYS 47 10.012 -6.731 -7.045 397 HZ1 LYS 47 HZ1 LYS 47 8.127 -5.518 -7.854 398 HZ2 LYS 47 HZ2 LYS 47 9.334 -4.413 -7.426 399 HZ3 LYS 47 HZ3 LYS 47 8.000 -4.643 -6.411 400 H LEU 48 H LEU 48 7.234 -10.611 -1.852 401 HA LEU 48 HA LEU 48 7.641 -13.187 -2.768 402 HB2 LEU 48 HB2 LEU 48 6.442 -12.062 -0.270 403 HB3 LEU 48 HB1 LEU 48 6.388 -13.793 -0.541 404 HG LEU 48 HG LEU 48 9.021 -12.438 -0.825 405 HD11 LEU 48 HD11 LEU 48 7.446 -12.580 1.674 406 HD12 LEU 48 HD12 LEU 48 8.705 -11.446 1.185 407 HD13 LEU 48 HD13 LEU 48 9.143 -13.051 1.769 408 HD21 LEU 48 HD21 LEU 48 8.194 -15.062 0.409 409 HD22 LEU 48 HD22 LEU 48 9.836 -14.536 0.036 410 HD23 LEU 48 HD23 LEU 48 8.693 -14.851 -1.270 411 H VAL 49 H VAL 49 4.720 -11.322 -2.679 412 HA VAL 49 HA VAL 49 3.091 -13.672 -3.325 413 HB VAL 49 HB VAL 49 2.187 -10.835 -2.824 414 HG11 VAL 49 HG11 VAL 49 0.005 -12.128 -2.338 415 HG12 VAL 49 HG12 VAL 49 0.754 -13.428 -3.263 416 HG13 VAL 49 HG13 VAL 49 0.475 -11.858 -4.017 417 HG21 VAL 49 HG21 VAL 49 1.326 -12.115 -0.662 418 HG22 VAL 49 HG22 VAL 49 2.915 -11.353 -0.734 419 HG23 VAL 49 HG23 VAL 49 2.757 -13.091 -0.989 420 H ILE 50 H ILE 50 4.451 -10.783 -4.672 421 HA ILE 50 HA ILE 50 2.966 -11.170 -7.163 422 HB ILE 50 HB ILE 50 4.707 -8.829 -6.399 423 HG12 ILE 50 HG12 ILE 50 1.749 -8.583 -6.538 424 HG13 ILE 50 HG11 ILE 50 2.418 -9.399 -5.127 425 HG21 ILE 50 HG21 ILE 50 3.088 -9.536 -8.771 426 HG22 ILE 50 HG22 ILE 50 4.593 -8.622 -8.652 427 HG23 ILE 50 HG23 ILE 50 3.059 -7.854 -8.243 428 HD11 ILE 50 HD11 ILE 50 2.137 -6.658 -5.534 429 HD12 ILE 50 HD12 ILE 50 3.865 -6.980 -5.658 430 HD13 ILE 50 HD13 ILE 50 2.979 -7.468 -4.215 431 H ASN 51 H ASN 51 5.292 -12.747 -6.165 432 HA ASN 51 HA ASN 51 7.681 -12.267 -7.395 433 HB2 ASN 51 HB2 ASN 51 6.417 -14.504 -6.225 434 HB3 ASN 51 HB1 ASN 51 7.025 -15.045 -7.786 435 HD21 ASN 51 HD21 ASN 51 7.816 -14.055 -4.603 436 HD22 ASN 51 HD22 ASN 51 9.524 -14.296 -4.712 437 H GLU 52 H GLU 52 4.682 -13.232 -8.883 438 HA GLU 52 HA GLU 52 6.006 -13.499 -11.487 439 HB2 GLU 52 HB2 GLU 52 3.467 -14.529 -10.326 440 HB3 GLU 52 HB1 GLU 52 3.483 -14.179 -12.050 441 HG2 GLU 52 HG2 GLU 52 5.650 -15.602 -12.057 442 HG3 GLU 52 HG1 GLU 52 5.043 -16.209 -10.518 443 HA PRO 53 HA PRO 53 4.745 -9.488 -12.843 444 HB2 PRO 53 HB2 PRO 53 4.074 -10.802 -15.423 445 HB3 PRO 53 HB1 PRO 53 5.150 -9.438 -15.099 446 HG2 PRO 53 HG2 PRO 53 6.135 -11.846 -15.676 447 HG3 PRO 53 HG1 PRO 53 6.910 -10.806 -14.466 448 HD2 PRO 53 HD2 PRO 53 5.166 -13.201 -14.072 449 HD3 PRO 53 HD1 PRO 53 6.595 -12.681 -13.156 450 H SER 54 H SER 54 2.652 -12.252 -13.204 451 HA SER 54 HA SER 54 0.339 -11.054 -14.180 452 HB2 SER 54 HB2 SER 54 0.968 -13.571 -13.507 453 HB3 SER 54 HB1 SER 54 0.019 -13.138 -12.086 454 HG SER 54 HG SER 54 -1.651 -13.506 -13.291 455 H ARG 55 H ARG 55 1.610 -11.171 -10.896 456 HA ARG 55 HA ARG 55 -0.744 -9.856 -9.819 457 HB2 ARG 55 HB2 ARG 55 1.756 -11.016 -8.660 458 HB3 ARG 55 HB1 ARG 55 0.805 -9.888 -7.704 459 HG2 ARG 55 HG2 ARG 55 -0.676 -11.455 -7.191 460 HG3 ARG 55 HG1 ARG 55 -0.880 -11.904 -8.886 461 HD2 ARG 55 HD2 ARG 55 1.657 -12.799 -7.766 462 HD3 ARG 55 HD1 ARG 55 0.261 -13.461 -6.917 463 HE ARG 55 HE ARG 55 1.122 -14.077 -9.592 464 HH11 ARG 55 HH11 ARG 55 -1.583 -14.048 -7.388 465 HH12 ARG 55 HH12 ARG 55 -2.455 -15.275 -8.245 466 HH21 ARG 55 HH21 ARG 55 -0.021 -15.690 -10.720 467 HH22 ARG 55 HH22 ARG 55 -1.569 -16.208 -10.136 468 H LEU 56 H LEU 56 1.263 -8.551 -11.750 469 HA LEU 56 HA LEU 56 2.712 -6.562 -10.451 470 HB2 LEU 56 HB2 LEU 56 1.606 -6.931 -13.177 471 HB3 LEU 56 HB1 LEU 56 2.093 -5.308 -12.732 472 HG LEU 56 HG LEU 56 3.906 -7.710 -12.544 473 HD11 LEU 56 HD11 LEU 56 3.220 -7.242 -14.873 474 HD12 LEU 56 HD12 LEU 56 4.938 -6.960 -14.587 475 HD13 LEU 56 HD13 LEU 56 3.826 -5.595 -14.690 476 HD21 LEU 56 HD21 LEU 56 4.936 -4.953 -12.766 477 HD22 LEU 56 HD22 LEU 56 5.531 -6.318 -11.820 478 HD23 LEU 56 HD23 LEU 56 4.157 -5.378 -11.241 479 HA PRO 57 HA PRO 57 -1.451 -3.843 -11.294 480 HB2 PRO 57 HB2 PRO 57 -3.077 -6.086 -10.152 481 HB3 PRO 57 HB1 PRO 57 -3.563 -4.806 -11.273 482 HG2 PRO 57 HG2 PRO 57 -3.029 -7.245 -12.178 483 HG3 PRO 57 HG1 PRO 57 -2.508 -5.811 -13.084 484 HD2 PRO 57 HD2 PRO 57 -0.902 -7.716 -11.469 485 HD3 PRO 57 HD1 PRO 57 -0.429 -6.755 -12.884 486 H LEU 58 H LEU 58 -0.619 -6.071 -8.698 487 HA LEU 58 HA LEU 58 -1.893 -4.843 -6.557 488 HB2 LEU 58 HB2 LEU 58 0.377 -6.658 -6.910 489 HB3 LEU 58 HB1 LEU 58 0.478 -5.677 -5.460 490 HG LEU 58 HG LEU 58 -1.842 -7.468 -6.186 491 HD11 LEU 58 HD11 LEU 58 -1.012 -8.757 -4.184 492 HD12 LEU 58 HD12 LEU 58 0.474 -7.815 -4.299 493 HD13 LEU 58 HD13 LEU 58 -0.013 -8.860 -5.633 494 HD21 LEU 58 HD21 LEU 58 -2.961 -6.677 -4.403 495 HD22 LEU 58 HD22 LEU 58 -1.938 -5.257 -4.622 496 HD23 LEU 58 HD23 LEU 58 -1.496 -6.486 -3.437 497 H PHE 59 H PHE 59 1.127 -3.987 -8.154 498 HA PHE 59 HA PHE 59 2.027 -2.115 -6.248 499 HB2 PHE 59 HB2 PHE 59 2.546 -2.271 -9.223 500 HB3 PHE 59 HB1 PHE 59 3.424 -1.227 -8.110 501 HD1 PHE 59 HD2 PHE 59 4.564 -2.422 -6.099 502 HD2 PHE 59 HD1 PHE 59 3.357 -4.379 -9.680 503 HE1 PHE 59 HE2 PHE 59 6.144 -4.249 -5.627 504 HE2 PHE 59 HE1 PHE 59 4.934 -6.209 -9.216 505 HZ PHE 59 HZ PHE 59 6.330 -6.145 -7.188 506 H ASP 60 H ASP 60 0.225 -1.645 -9.285 507 HA ASP 60 HA ASP 60 -0.131 1.160 -8.830 508 HB2 ASP 60 HB2 ASP 60 -0.116 -0.130 -11.084 509 HB3 ASP 60 HB1 ASP 60 -1.807 -0.469 -10.722 510 H ALA 61 H ALA 61 -1.889 -1.733 -8.098 511 HA ALA 61 HA ALA 61 -4.420 -0.571 -7.612 512 HB1 ALA 61 HB1 ALA 61 -3.232 -3.110 -6.506 513 HB2 ALA 61 HB2 ALA 61 -4.108 -2.955 -8.027 514 HB3 ALA 61 HB3 ALA 61 -4.941 -2.676 -6.499 515 H ILE 62 H ILE 62 -1.785 -1.505 -5.408 516 HA ILE 62 HA ILE 62 -3.119 -0.521 -3.086 517 HB ILE 62 HB ILE 62 -0.178 -1.120 -3.329 518 HG12 ILE 62 HG12 ILE 62 -2.131 -3.148 -2.333 519 HG13 ILE 62 HG11 ILE 62 -1.977 -2.934 -4.073 520 HG21 ILE 62 HG21 ILE 62 -1.529 -0.032 -1.255 521 HG22 ILE 62 HG22 ILE 62 -0.080 -1.023 -1.084 522 HG23 ILE 62 HG23 ILE 62 -1.675 -1.748 -0.879 523 HD11 ILE 62 HD11 ILE 62 -0.282 -4.353 -3.986 524 HD12 ILE 62 HD12 ILE 62 -0.246 -4.301 -2.224 525 HD13 ILE 62 HD13 ILE 62 0.635 -3.095 -3.160 526 H ARG 63 H ARG 63 -0.683 0.814 -5.251 527 HA ARG 63 HA ARG 63 0.410 2.847 -3.842 528 HB2 ARG 63 HB2 ARG 63 0.244 2.196 -6.514 529 HB3 ARG 63 HB1 ARG 63 -0.486 3.794 -6.457 530 HG2 ARG 63 HG2 ARG 63 1.460 4.817 -5.952 531 HG3 ARG 63 HG1 ARG 63 2.046 3.466 -4.980 532 HD2 ARG 63 HD2 ARG 63 3.397 3.742 -6.987 533 HD3 ARG 63 HD1 ARG 63 2.528 2.208 -7.021 534 HE ARG 63 HE ARG 63 0.982 4.119 -8.351 535 HH11 ARG 63 HH11 ARG 63 4.016 2.436 -8.739 536 HH12 ARG 63 HH12 ARG 63 3.974 2.505 -10.470 537 HH21 ARG 63 HH21 ARG 63 0.926 4.207 -10.627 538 HH22 ARG 63 HH22 ARG 63 2.220 3.509 -11.541 539 HA PRO 64 HA PRO 64 -3.478 5.770 -5.107 540 HB2 PRO 64 HB2 PRO 64 -5.380 3.539 -4.503 541 HB3 PRO 64 HB1 PRO 64 -5.580 4.923 -5.584 542 HG2 PRO 64 HG2 PRO 64 -4.970 2.503 -6.539 543 HG3 PRO 64 HG1 PRO 64 -4.293 3.977 -7.255 544 HD2 PRO 64 HD2 PRO 64 -2.975 1.913 -5.597 545 HD3 PRO 64 HD1 PRO 64 -2.274 3.032 -6.779 546 H LEU 65 H LEU 65 -4.163 3.142 -2.753 547 HA LEU 65 HA LEU 65 -5.061 5.024 -0.790 548 HB2 LEU 65 HB2 LEU 65 -5.264 3.112 0.704 549 HB3 LEU 65 HB1 LEU 65 -6.004 2.789 -0.852 550 HG LEU 65 HG LEU 65 -3.798 1.595 -1.434 551 HD11 LEU 65 HD11 LEU 65 -3.004 0.580 0.915 552 HD12 LEU 65 HD12 LEU 65 -3.435 2.210 1.431 553 HD13 LEU 65 HD13 LEU 65 -2.237 1.976 0.158 554 HD21 LEU 65 HD21 LEU 65 -5.820 0.366 -1.175 555 HD22 LEU 65 HD22 LEU 65 -5.768 0.538 0.579 556 HD23 LEU 65 HD23 LEU 65 -4.574 -0.464 -0.242 557 H ILE 66 H ILE 66 -2.019 3.647 -1.635 558 HA ILE 66 HA ILE 66 -0.703 3.963 0.854 559 HB ILE 66 HB ILE 66 0.307 3.722 -1.974 560 HG12 ILE 66 HG12 ILE 66 0.454 1.895 0.433 561 HG13 ILE 66 HG11 ILE 66 -0.633 1.708 -0.938 562 HG21 ILE 66 HG21 ILE 66 1.951 4.021 0.534 563 HG22 ILE 66 HG22 ILE 66 1.937 5.093 -0.865 564 HG23 ILE 66 HG23 ILE 66 2.580 3.461 -1.015 565 HD11 ILE 66 HD11 ILE 66 2.118 1.887 -1.790 566 HD12 ILE 66 HD12 ILE 66 0.914 0.639 -2.110 567 HD13 ILE 66 HD13 ILE 66 1.874 0.579 -0.632 568 HA PRO 67 HA PRO 67 -0.341 8.405 1.234 569 HB2 PRO 67 HB2 PRO 67 2.355 7.634 2.263 570 HB3 PRO 67 HB1 PRO 67 1.152 8.724 2.963 571 HG2 PRO 67 HG2 PRO 67 1.482 6.278 3.948 572 HG3 PRO 67 HG1 PRO 67 -0.139 6.982 3.793 573 HD2 PRO 67 HD2 PRO 67 1.181 4.881 2.145 574 HD3 PRO 67 HD1 PRO 67 -0.530 5.076 2.569 575 H LEU 68 H LEU 68 0.327 9.939 0.070 576 HA LEU 68 HA LEU 68 1.472 9.667 -2.386 577 HB2 LEU 68 HB2 LEU 68 0.765 11.752 -0.505 578 HB3 LEU 68 HB1 LEU 68 2.090 12.228 -1.551 579 HG LEU 68 HG LEU 68 -0.642 11.304 -2.405 580 HD11 LEU 68 HD11 LEU 68 -0.764 13.539 -1.631 581 HD12 LEU 68 HD12 LEU 68 -0.717 13.622 -3.391 582 HD13 LEU 68 HD13 LEU 68 0.734 13.980 -2.453 583 HD21 LEU 68 HD21 LEU 68 0.466 12.265 -4.660 584 HD22 LEU 68 HD22 LEU 68 0.497 10.559 -4.210 585 HD23 LEU 68 HD23 LEU 68 1.896 11.582 -3.886 586 H LYS 69 H LYS 69 3.096 10.574 0.655 587 HA LYS 69 HA LYS 69 5.656 10.957 -0.493 588 HB2 LYS 69 HB2 LYS 69 5.162 10.071 2.346 589 HB3 LYS 69 HB1 LYS 69 6.486 11.050 1.728 590 HG2 LYS 69 HG2 LYS 69 4.623 12.741 1.116 591 HG3 LYS 69 HG1 LYS 69 3.656 11.830 2.276 592 HD2 LYS 69 HD2 LYS 69 6.224 12.348 3.415 593 HD3 LYS 69 HD1 LYS 69 5.561 13.858 2.789 594 HE2 LYS 69 HE2 LYS 69 4.605 13.885 4.853 595 HE3 LYS 69 HE1 LYS 69 3.377 12.954 3.997 596 HZ1 LYS 69 HZ1 LYS 69 3.947 11.051 5.058 597 HZ2 LYS 69 HZ2 LYS 69 4.439 12.138 6.258 598 HZ3 LYS 69 HZ3 LYS 69 5.581 11.467 5.205 599 H HIS 70 H HIS 70 4.210 8.223 1.253 600 HA HIS 70 HA HIS 70 6.395 6.473 0.992 601 HB2 HIS 70 HB2 HIS 70 3.476 5.702 1.175 602 HB3 HIS 70 HB1 HIS 70 4.864 4.718 1.631 603 HD1 HIS 70 HD1 HIS 70 3.242 4.762 3.910 604 HD2 HIS 70 HD2 HIS 70 5.498 8.136 3.019 605 HE1 HIS 70 HE1 HIS 70 3.395 6.055 6.061 606 HE2 HIS 70 HE2 HIS 70 4.689 8.136 5.476 607 H GLN 71 H GLN 71 3.798 7.347 -1.163 608 HA GLN 71 HA GLN 71 3.918 5.193 -2.955 609 HB2 GLN 71 HB2 GLN 71 2.967 8.011 -3.085 610 HB3 GLN 71 HB1 GLN 71 3.215 7.173 -4.610 611 HG2 GLN 71 HG2 GLN 71 1.717 5.376 -3.820 612 HG3 GLN 71 HG1 GLN 71 1.413 6.313 -2.359 613 HE21 GLN 71 HE21 GLN 71 0.162 8.165 -2.474 614 HE22 GLN 71 HE22 GLN 71 -0.819 8.537 -3.847 615 H VAL 72 H VAL 72 5.655 8.285 -2.903 616 HA VAL 72 HA VAL 72 7.127 7.907 -5.270 617 HB VAL 72 HB VAL 72 8.222 9.373 -2.892 618 HG11 VAL 72 HG11 VAL 72 9.780 9.465 -4.586 619 HG12 VAL 72 HG12 VAL 72 8.857 10.940 -4.873 620 HG13 VAL 72 HG13 VAL 72 8.556 9.507 -5.854 621 HG21 VAL 72 HG21 VAL 72 6.919 11.340 -4.169 622 HG22 VAL 72 HG22 VAL 72 6.227 10.446 -2.816 623 HG23 VAL 72 HG23 VAL 72 5.806 10.006 -4.471 624 H GLU 73 H GLU 73 8.074 7.402 -1.865 625 HA GLU 73 HA GLU 73 10.570 6.238 -2.398 626 HB2 GLU 73 HB2 GLU 73 8.710 6.309 -0.085 627 HB3 GLU 73 HB1 GLU 73 9.898 5.013 -0.087 628 HG2 GLU 73 HG2 GLU 73 11.176 7.481 -0.759 629 HG3 GLU 73 HG1 GLU 73 10.240 7.679 0.721 630 H TYR 74 H TYR 74 7.338 4.924 -2.337 631 HA TYR 74 HA TYR 74 7.979 2.184 -2.387 632 HB2 TYR 74 HB2 TYR 74 5.684 3.163 -2.020 633 HB3 TYR 74 HB1 TYR 74 5.623 3.523 -3.742 634 HD1 TYR 74 HD2 TYR 74 6.281 0.622 -1.472 635 HD2 TYR 74 HD1 TYR 74 4.560 2.004 -5.109 636 HE1 TYR 74 HE2 TYR 74 5.381 -1.628 -1.894 637 HE2 TYR 74 HE1 TYR 74 3.653 -0.239 -5.540 638 HH TYR 74 HH TYR 74 3.024 -2.255 -4.218 639 H ASP 75 H ASP 75 7.871 4.698 -4.812 640 HA ASP 75 HA ASP 75 8.166 2.955 -7.064 641 HB2 ASP 75 HB2 ASP 75 8.003 5.844 -6.586 642 HB3 ASP 75 HB1 ASP 75 9.102 5.413 -7.893 643 H GLN 76 H GLN 76 10.335 4.728 -4.935 644 HA GLN 76 HA GLN 76 12.693 4.387 -6.458 645 HB2 GLN 76 HB2 GLN 76 12.228 4.872 -3.518 646 HB3 GLN 76 HB1 GLN 76 13.835 4.787 -4.224 647 HG2 GLN 76 HG2 GLN 76 12.834 6.596 -5.859 648 HG3 GLN 76 HG1 GLN 76 11.748 6.876 -4.499 649 HE21 GLN 76 HE21 GLN 76 12.450 8.747 -3.692 650 HE22 GLN 76 HE22 GLN 76 14.064 9.058 -3.157 651 H LEU 77 H LEU 77 11.046 2.370 -4.113 652 HA LEU 77 HA LEU 77 13.213 0.485 -3.900 653 HB2 LEU 77 HB2 LEU 77 10.338 0.310 -2.997 654 HB3 LEU 77 HB1 LEU 77 11.585 -0.861 -2.607 655 HG LEU 77 HG LEU 77 12.110 1.969 -1.873 656 HD11 LEU 77 HD11 LEU 77 9.672 1.290 -1.274 657 HD12 LEU 77 HD12 LEU 77 10.694 2.052 -0.055 658 HD13 LEU 77 HD13 LEU 77 10.447 0.306 -0.032 659 HD21 LEU 77 HD21 LEU 77 13.660 -0.010 -1.511 660 HD22 LEU 77 HD22 LEU 77 12.515 -0.550 -0.283 661 HD23 LEU 77 HD23 LEU 77 13.331 1.004 -0.107 662 H THR 78 H THR 78 10.246 0.796 -5.735 663 HA THR 78 HA THR 78 10.426 -1.885 -6.806 664 HB THR 78 HB THR 78 8.493 -1.050 -8.254 665 HG1 THR 78 HG1 THR 78 7.554 0.877 -7.611 666 HG21 THR 78 HG21 THR 78 8.429 -2.098 -5.786 667 HG22 THR 78 HG22 THR 78 6.988 -1.649 -6.700 668 HG23 THR 78 HG23 THR 78 7.642 -0.550 -5.485 669 HA PRO 79 HA PRO 79 13.433 -0.540 -9.896 670 HB2 PRO 79 HB2 PRO 79 12.660 -3.184 -11.026 671 HB3 PRO 79 HB1 PRO 79 14.267 -2.521 -10.709 672 HG2 PRO 79 HG2 PRO 79 13.231 -4.383 -9.116 673 HG3 PRO 79 HG1 PRO 79 14.180 -3.041 -8.450 674 HD2 PRO 79 HD2 PRO 79 11.223 -3.454 -8.451 675 HD3 PRO 79 HD1 PRO 79 12.264 -2.747 -7.200 676 H ARG 80 H ARG 80 13.423 -0.269 -12.248 677 HA ARG 80 HA ARG 80 10.831 -0.455 -13.563 678 HB2 ARG 80 HB2 ARG 80 11.514 1.907 -12.338 679 HB3 ARG 80 HB1 ARG 80 12.082 2.167 -13.982 680 HG2 ARG 80 HG2 ARG 80 9.591 1.102 -14.381 681 HG3 ARG 80 HG1 ARG 80 9.368 2.075 -12.926 682 HD2 ARG 80 HD2 ARG 80 10.468 3.004 -15.576 683 HD3 ARG 80 HD1 ARG 80 8.900 3.415 -14.880 684 HE ARG 80 HE ARG 80 10.646 4.273 -13.005 685 HH11 ARG 80 HH11 ARG 80 10.391 4.808 -16.443 686 HH12 ARG 80 HH12 ARG 80 11.098 6.387 -16.377 687 HH21 ARG 80 HH21 ARG 80 11.577 6.349 -12.914 688 HH22 ARG 80 HH22 ARG 80 11.772 7.264 -14.374 689 H1 ASP 100 H ASP 100 -4.133 13.195 1.020 690 HA ASP 100 HA ASP 100 -5.669 12.848 3.480 691 HB2 ASP 100 HB2 ASP 100 -6.842 14.139 1.421 692 HB3 ASP 100 HB1 ASP 100 -7.206 12.475 0.975 693 H ASP 101 H ASP 101 -3.441 11.416 2.285 694 HA ASP 101 HA ASP 101 -4.737 8.850 1.647 695 HB2 ASP 101 HB2 ASP 101 -1.878 9.644 1.074 696 HB3 ASP 101 HB1 ASP 101 -2.709 8.197 0.514 697 H ASP 102 H ASP 102 -4.927 7.684 3.431 698 HA ASP 102 HA ASP 102 -2.850 6.473 4.753 699 HB2 ASP 102 HB2 ASP 102 -2.993 7.702 7.002 700 HB3 ASP 102 HB1 ASP 102 -2.064 8.478 5.724 701 H ARG 103 H ARG 103 -5.977 8.015 5.386 702 HA ARG 103 HA ARG 103 -6.913 6.193 7.296 703 HB2 ARG 103 HB2 ARG 103 -7.921 8.428 6.735 704 HB3 ARG 103 HB1 ARG 103 -8.600 7.694 5.289 705 HG2 ARG 103 HG2 ARG 103 -10.355 7.036 6.458 706 HG3 ARG 103 HG1 ARG 103 -9.305 6.045 7.472 707 HD2 ARG 103 HD2 ARG 103 -9.348 7.519 9.176 708 HD3 ARG 103 HD1 ARG 103 -9.292 8.916 8.101 709 HE ARG 103 HE ARG 103 -11.629 7.681 9.214 710 HH11 ARG 103 HH11 ARG 103 -10.410 9.592 6.561 711 HH12 ARG 103 HH12 ARG 103 -11.947 10.307 6.207 712 HH21 ARG 103 HH21 ARG 103 -13.650 8.620 8.750 713 HH22 ARG 103 HH22 ARG 103 -13.787 9.757 7.450 714 H TYR 104 H TYR 104 -6.896 6.095 3.794 715 HA TYR 104 HA TYR 104 -8.737 4.163 3.201 716 HB2 TYR 104 HB2 TYR 104 -5.975 4.481 2.014 717 HB3 TYR 104 HB1 TYR 104 -7.274 3.538 1.293 718 HD1 TYR 104 HD2 TYR 104 -9.596 5.027 1.238 719 HD2 TYR 104 HD1 TYR 104 -5.617 6.515 1.010 720 HE1 TYR 104 HE2 TYR 104 -10.421 7.037 0.087 721 HE2 TYR 104 HE1 TYR 104 -6.431 8.530 -0.141 722 HH TYR 104 HH TYR 104 -9.359 8.779 -1.565 723 H LEU 105 H LEU 105 -5.490 3.682 4.510 724 HA LEU 105 HA LEU 105 -5.380 0.891 4.288 725 HB2 LEU 105 HB2 LEU 105 -3.775 2.922 5.356 726 HB3 LEU 105 HB1 LEU 105 -4.100 1.848 6.703 727 HG LEU 105 HG LEU 105 -3.395 -0.009 4.950 728 HD11 LEU 105 HD11 LEU 105 -1.316 1.219 3.792 729 HD12 LEU 105 HD12 LEU 105 -2.485 2.539 3.767 730 HD13 LEU 105 HD13 LEU 105 -2.874 1.001 2.997 731 HD21 LEU 105 HD21 LEU 105 -1.168 0.060 5.868 732 HD22 LEU 105 HD22 LEU 105 -2.328 0.494 7.122 733 HD23 LEU 105 HD23 LEU 105 -1.373 1.749 6.331 734 H ARG 106 H ARG 106 -6.385 2.904 7.048 735 HA ARG 106 HA ARG 106 -7.139 0.783 8.727 736 HB2 ARG 106 HB2 ARG 106 -6.916 3.468 9.036 737 HB3 ARG 106 HB1 ARG 106 -8.665 3.302 8.972 738 HG2 ARG 106 HG2 ARG 106 -8.427 1.531 10.763 739 HG3 ARG 106 HG1 ARG 106 -6.755 2.069 10.932 740 HD2 ARG 106 HD2 ARG 106 -9.286 3.582 11.484 741 HD3 ARG 106 HD1 ARG 106 -7.931 3.269 12.565 742 HE ARG 106 HE ARG 106 -8.200 5.447 10.756 743 HH11 ARG 106 HH11 ARG 106 -5.851 3.312 12.205 744 HH12 ARG 106 HH12 ARG 106 -4.548 4.443 12.057 745 HH21 ARG 106 HH21 ARG 106 -6.487 6.934 10.559 746 HH22 ARG 106 HH22 ARG 106 -4.907 6.498 11.122 747 H GLU 107 H GLU 107 -8.824 2.469 6.167 748 HA GLU 107 HA GLU 107 -11.447 1.683 6.738 749 HB2 GLU 107 HB2 GLU 107 -10.204 3.147 4.754 750 HB3 GLU 107 HB1 GLU 107 -10.817 1.748 3.881 751 HG2 GLU 107 HG2 GLU 107 -12.658 3.123 5.753 752 HG3 GLU 107 HG1 GLU 107 -12.258 3.933 4.238 753 H ALA 108 H ALA 108 -9.166 0.196 4.427 754 HA ALA 108 HA ALA 108 -10.803 -2.112 4.046 755 HB1 ALA 108 HB1 ALA 108 -8.160 -1.182 3.106 756 HB2 ALA 108 HB2 ALA 108 -9.511 -1.872 2.205 757 HB3 ALA 108 HB3 ALA 108 -8.425 -2.926 3.111 758 H ILE 109 H ILE 109 -7.873 -1.429 5.909 759 HA ILE 109 HA ILE 109 -7.352 -4.007 6.842 760 HB ILE 109 HB ILE 109 -6.797 -1.312 8.083 761 HG12 ILE 109 HG12 ILE 109 -4.892 -3.281 6.814 762 HG13 ILE 109 HG11 ILE 109 -5.687 -1.997 5.908 763 HG21 ILE 109 HG21 ILE 109 -6.715 -2.644 9.970 764 HG22 ILE 109 HG22 ILE 109 -5.049 -2.708 9.396 765 HG23 ILE 109 HG23 ILE 109 -6.144 -4.054 9.077 766 HD11 ILE 109 HD11 ILE 109 -3.404 -1.416 6.584 767 HD12 ILE 109 HD12 ILE 109 -3.879 -1.575 8.275 768 HD13 ILE 109 HD13 ILE 109 -4.607 -0.324 7.268 769 H GLN 110 H GLN 110 -9.127 -1.380 8.486 770 HA GLN 110 HA GLN 110 -9.969 -2.966 10.659 771 HB2 GLN 110 HB2 GLN 110 -9.920 -0.443 10.575 772 HB3 GLN 110 HB1 GLN 110 -11.373 -0.514 9.589 773 HG2 GLN 110 HG2 GLN 110 -12.321 -0.216 11.626 774 HG3 GLN 110 HG1 GLN 110 -12.245 -1.978 11.603 775 HE21 GLN 110 HE21 GLN 110 -10.599 -3.022 12.795 776 HE22 GLN 110 HE22 GLN 110 -9.834 -2.238 14.131 777 H GLU 111 H GLU 111 -11.418 -2.258 7.531 778 HA GLU 111 HA GLU 111 -13.973 -3.260 7.948 779 HB2 GLU 111 HB2 GLU 111 -13.352 -2.120 5.882 780 HB3 GLU 111 HB1 GLU 111 -12.262 -3.432 5.459 781 HG2 GLU 111 HG2 GLU 111 -13.930 -4.327 4.315 782 HG3 GLU 111 HG1 GLU 111 -14.713 -4.671 5.857 783 H TYR 112 H TYR 112 -10.976 -4.932 7.187 784 HA TYR 112 HA TYR 112 -12.177 -7.516 6.994 785 HB2 TYR 112 HB2 TYR 112 -9.904 -6.731 6.030 786 HB3 TYR 112 HB1 TYR 112 -9.277 -7.026 7.648 787 HD1 TYR 112 HD1 TYR 112 -11.620 -8.879 5.396 788 HD2 TYR 112 HD2 TYR 112 -8.064 -8.980 7.729 789 HE1 TYR 112 HE1 TYR 112 -11.332 -11.260 4.844 790 HE2 TYR 112 HE2 TYR 112 -7.766 -11.359 7.184 791 HH TYR 112 HH TYR 112 -8.472 -12.934 5.363 792 H ASP 113 H ASP 113 -10.729 -5.583 9.536 793 HA ASP 113 HA ASP 113 -10.474 -7.586 11.491 794 HB2 ASP 113 HB2 ASP 113 -10.047 -4.829 11.364 795 HB3 ASP 113 HB1 ASP 113 -11.291 -5.017 12.597 796 H ASN 114 H ASN 114 -13.200 -5.755 10.317 797 HA ASN 114 HA ASN 114 -14.967 -6.610 12.434 798 HB2 ASN 114 HB2 ASN 114 -15.016 -4.456 10.818 799 HB3 ASN 114 HB1 ASN 114 -16.085 -5.522 9.910 800 HD21 ASN 114 HD21 ASN 114 -15.522 -4.607 13.296 801 HD22 ASN 114 HD22 ASN 114 -17.190 -4.392 13.690 802 H ILE 115 H ILE 115 -14.190 -7.557 9.143 803 HA ILE 115 HA ILE 115 -16.392 -9.371 8.882 804 HB ILE 115 HB ILE 115 -13.845 -9.230 7.266 805 HG12 ILE 115 HG12 ILE 115 -16.469 -8.179 6.305 806 HG13 ILE 115 HG11 ILE 115 -15.547 -7.202 7.441 807 HG21 ILE 115 HG21 ILE 115 -15.023 -10.478 5.584 808 HG22 ILE 115 HG22 ILE 115 -16.499 -10.461 6.548 809 HG23 ILE 115 HG23 ILE 115 -15.092 -11.367 7.105 810 HD11 ILE 115 HD11 ILE 115 -14.316 -8.275 4.931 811 HD12 ILE 115 HD12 ILE 115 -13.772 -6.942 5.949 812 HD13 ILE 115 HD13 ILE 115 -15.219 -6.761 4.959 813 H ALA 116 H ALA 116 -12.917 -10.085 8.766 814 HA ALA 116 HA ALA 116 -11.697 -11.864 9.497 815 HB1 ALA 116 HB1 ALA 116 -11.883 -12.377 11.722 816 HB2 ALA 116 HB2 ALA 116 -13.646 -12.394 11.685 817 HB3 ALA 116 HB3 ALA 116 -12.779 -10.859 11.672 818 H LYS 117 H LYS 117 -13.464 -12.456 7.449 819 HA LYS 117 HA LYS 117 -14.458 -15.127 8.161 820 HB2 LYS 117 HB2 LYS 117 -15.281 -13.394 5.827 821 HB3 LYS 117 HB1 LYS 117 -15.973 -14.951 6.259 822 HG2 LYS 117 HG2 LYS 117 -16.033 -12.937 8.393 823 HG3 LYS 117 HG1 LYS 117 -17.007 -12.556 6.972 824 HD2 LYS 117 HD2 LYS 117 -18.572 -13.812 7.987 825 HD3 LYS 117 HD1 LYS 117 -17.636 -15.171 7.362 826 HE2 LYS 117 HE2 LYS 117 -18.029 -15.585 9.673 827 HE3 LYS 117 HE1 LYS 117 -16.332 -15.142 9.499 828 HZ1 LYS 117 HZ1 LYS 117 -18.297 -13.050 10.120 829 HZ2 LYS 117 HZ2 LYS 117 -16.654 -13.133 10.519 830 HZ3 LYS 117 HZ3 LYS 117 -17.777 -14.080 11.358 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -17.743 7.442 0.412 2 H2 MET 1 HT2 MET 1 -17.364 8.961 -0.292 3 H3 MET 1 HT3 MET 1 -16.925 8.631 1.334 4 HA MET 1 HA MET 1 -15.939 7.024 -0.907 5 HB2 MET 1 HB2 MET 1 -15.209 9.757 -0.039 6 HB3 MET 1 HB1 MET 1 -13.861 8.654 -0.280 7 HG2 MET 1 HG2 MET 1 -15.868 8.672 -2.425 8 HG3 MET 1 HG1 MET 1 -14.962 10.171 -2.218 9 HE1 MET 1 HE1 MET 1 -13.373 6.068 -3.442 10 HE2 MET 1 HE2 MET 1 -14.800 6.790 -4.187 11 HE3 MET 1 HE3 MET 1 -14.802 6.407 -2.465 12 H ASP 2 H ASP 2 -16.816 6.384 1.821 13 HA ASP 2 HA ASP 2 -14.266 5.313 2.797 14 HB2 ASP 2 HB2 ASP 2 -15.077 5.732 5.153 15 HB3 ASP 2 HB1 ASP 2 -14.631 7.175 4.248 16 H ARG 3 H ARG 3 -16.431 4.137 1.256 17 HA ARG 3 HA ARG 3 -17.006 1.900 3.033 18 HB2 ARG 3 HB2 ARG 3 -19.008 3.268 3.178 19 HB3 ARG 3 HB1 ARG 3 -19.106 3.362 1.425 20 HG2 ARG 3 HG2 ARG 3 -19.510 0.959 1.313 21 HG3 ARG 3 HG1 ARG 3 -19.405 0.861 3.072 22 HD2 ARG 3 HD2 ARG 3 -21.346 2.737 1.787 23 HD3 ARG 3 HD1 ARG 3 -21.734 1.023 1.917 24 HE ARG 3 HE ARG 3 -20.996 1.677 4.434 25 HH11 ARG 3 HH11 ARG 3 -23.281 3.059 2.187 26 HH12 ARG 3 HH12 ARG 3 -24.343 3.635 3.427 27 HH21 ARG 3 HH21 ARG 3 -22.391 2.433 6.067 28 HH22 ARG 3 HH22 ARG 3 -23.837 3.280 5.630 29 H LYS 4 H LYS 4 -17.467 3.144 -0.273 30 HA LYS 4 HA LYS 4 -17.417 0.541 -1.449 31 HB2 LYS 4 HB2 LYS 4 -18.584 2.510 -2.448 32 HB3 LYS 4 HB1 LYS 4 -17.014 3.217 -2.796 33 HG2 LYS 4 HG2 LYS 4 -17.139 0.539 -3.825 34 HG3 LYS 4 HG1 LYS 4 -18.508 1.488 -4.407 35 HD2 LYS 4 HD2 LYS 4 -15.913 2.870 -4.475 36 HD3 LYS 4 HD1 LYS 4 -16.048 1.479 -5.552 37 HE2 LYS 4 HE2 LYS 4 -16.878 3.083 -6.936 38 HE3 LYS 4 HE1 LYS 4 -18.371 2.623 -6.120 39 HZ1 LYS 4 HZ1 LYS 4 -18.089 5.028 -6.219 40 HZ2 LYS 4 HZ2 LYS 4 -16.637 4.911 -5.359 41 HZ3 LYS 4 HZ3 LYS 4 -18.095 4.482 -4.617 42 H VAL 5 H VAL 5 -15.022 3.007 -0.786 43 HA VAL 5 HA VAL 5 -12.962 2.234 -2.467 44 HB VAL 5 HB VAL 5 -12.597 3.093 0.407 45 HG11 VAL 5 HG11 VAL 5 -10.693 2.238 -1.280 46 HG12 VAL 5 HG12 VAL 5 -10.420 3.484 -0.061 47 HG13 VAL 5 HG13 VAL 5 -10.749 3.942 -1.733 48 HG21 VAL 5 HG21 VAL 5 -13.807 4.880 -0.268 49 HG22 VAL 5 HG22 VAL 5 -13.508 4.572 -1.978 50 HG23 VAL 5 HG23 VAL 5 -12.275 5.362 -0.997 51 H ALA 6 H ALA 6 -14.084 0.797 0.525 52 HA ALA 6 HA ALA 6 -11.919 -1.043 0.803 53 HB1 ALA 6 HB1 ALA 6 -13.741 -2.208 2.304 54 HB2 ALA 6 HB2 ALA 6 -14.566 -0.661 2.110 55 HB3 ALA 6 HB3 ALA 6 -12.954 -0.716 2.821 56 H ARG 7 H ARG 7 -15.105 -1.116 -0.688 57 HA ARG 7 HA ARG 7 -15.152 -3.900 -1.232 58 HB2 ARG 7 HB2 ARG 7 -16.902 -1.731 -1.547 59 HB3 ARG 7 HB1 ARG 7 -16.628 -2.340 -3.174 60 HG2 ARG 7 HG2 ARG 7 -17.514 -4.434 -2.674 61 HG3 ARG 7 HG1 ARG 7 -17.346 -4.191 -0.934 62 HD2 ARG 7 HD2 ARG 7 -19.060 -2.245 -2.327 63 HD3 ARG 7 HD1 ARG 7 -19.666 -3.900 -2.296 64 HE ARG 7 HE ARG 7 -18.974 -3.467 0.274 65 HH11 ARG 7 HH11 ARG 7 -20.933 -1.668 -1.983 66 HH12 ARG 7 HH12 ARG 7 -21.960 -1.007 -0.756 67 HH21 ARG 7 HH21 ARG 7 -20.324 -2.600 1.890 68 HH22 ARG 7 HH22 ARG 7 -21.615 -1.535 1.442 69 H GLU 8 H GLU 8 -13.923 -1.111 -2.972 70 HA GLU 8 HA GLU 8 -13.406 -2.518 -5.402 71 HB2 GLU 8 HB2 GLU 8 -12.620 0.159 -4.303 72 HB3 GLU 8 HB1 GLU 8 -11.844 -0.453 -5.757 73 HG2 GLU 8 HG2 GLU 8 -14.825 -0.251 -5.475 74 HG3 GLU 8 HG1 GLU 8 -13.829 1.071 -6.083 75 H PHE 9 H PHE 9 -11.335 -1.408 -2.725 76 HA PHE 9 HA PHE 9 -8.944 -2.506 -3.723 77 HB2 PHE 9 HB2 PHE 9 -9.156 -0.812 -1.860 78 HB3 PHE 9 HB1 PHE 9 -9.642 -2.135 -0.805 79 HD1 PHE 9 HD1 PHE 9 -6.939 -1.570 -3.322 80 HD2 PHE 9 HD2 PHE 9 -7.986 -2.838 0.602 81 HE1 PHE 9 HE1 PHE 9 -4.573 -2.058 -2.854 82 HE2 PHE 9 HE2 PHE 9 -5.623 -3.328 1.079 83 HZ PHE 9 HZ PHE 9 -3.913 -2.938 -0.650 84 H ARG 10 H ARG 10 -11.523 -3.824 -1.741 85 HA ARG 10 HA ARG 10 -10.178 -6.279 -1.151 86 HB2 ARG 10 HB2 ARG 10 -12.046 -5.254 0.212 87 HB3 ARG 10 HB1 ARG 10 -13.152 -5.757 -1.059 88 HG2 ARG 10 HG2 ARG 10 -12.043 -8.106 -0.632 89 HG3 ARG 10 HG1 ARG 10 -11.682 -7.392 0.942 90 HD2 ARG 10 HD2 ARG 10 -14.046 -6.888 1.264 91 HD3 ARG 10 HD1 ARG 10 -14.416 -7.562 -0.322 92 HE ARG 10 HE ARG 10 -13.169 -9.595 0.985 93 HH11 ARG 10 HH11 ARG 10 -15.926 -7.578 1.695 94 HH12 ARG 10 HH12 ARG 10 -16.738 -8.796 2.618 95 HH21 ARG 10 HH21 ARG 10 -14.236 -11.201 2.199 96 HH22 ARG 10 HH22 ARG 10 -15.778 -10.853 2.906 97 H HIS 11 H HIS 11 -12.788 -5.349 -3.391 98 HA HIS 11 HA HIS 11 -13.086 -7.892 -4.569 99 HB2 HIS 11 HB2 HIS 11 -14.708 -5.971 -4.751 100 HB3 HIS 11 HB1 HIS 11 -13.604 -5.227 -5.903 101 HD1 HIS 11 HD1 HIS 11 -16.081 -5.586 -7.233 102 HD2 HIS 11 HD2 HIS 11 -13.546 -8.844 -6.755 103 HE1 HIS 11 HE1 HIS 11 -16.797 -7.256 -8.972 104 HE2 HIS 11 HE2 HIS 11 -15.303 -9.253 -8.607 105 H LYS 12 H LYS 12 -10.930 -5.211 -5.212 106 HA LYS 12 HA LYS 12 -9.949 -6.071 -7.712 107 HB2 LYS 12 HB2 LYS 12 -9.023 -4.198 -5.587 108 HB3 LYS 12 HB1 LYS 12 -7.840 -4.725 -6.777 109 HG2 LYS 12 HG2 LYS 12 -10.461 -3.725 -7.754 110 HG3 LYS 12 HG1 LYS 12 -9.291 -2.559 -7.133 111 HD2 LYS 12 HD2 LYS 12 -7.601 -3.597 -8.687 112 HD3 LYS 12 HD1 LYS 12 -8.935 -4.497 -9.410 113 HE2 LYS 12 HE2 LYS 12 -8.576 -1.508 -9.313 114 HE3 LYS 12 HE1 LYS 12 -8.550 -2.546 -10.738 115 HZ1 LYS 12 HZ1 LYS 12 -10.658 -1.344 -10.461 116 HZ2 LYS 12 HZ2 LYS 12 -10.917 -2.142 -8.993 117 HZ3 LYS 12 HZ3 LYS 12 -10.869 -3.024 -10.436 118 H VAL 13 H VAL 13 -8.566 -6.429 -4.443 119 HA VAL 13 HA VAL 13 -6.375 -7.990 -5.097 120 HB VAL 13 HB VAL 13 -8.038 -8.265 -2.588 121 HG11 VAL 13 HG11 VAL 13 -5.677 -8.771 -1.662 122 HG12 VAL 13 HG12 VAL 13 -5.267 -9.108 -3.343 123 HG13 VAL 13 HG13 VAL 13 -6.538 -10.034 -2.545 124 HG21 VAL 13 HG21 VAL 13 -7.234 -6.324 -1.811 125 HG22 VAL 13 HG22 VAL 13 -6.884 -5.954 -3.500 126 HG23 VAL 13 HG23 VAL 13 -5.624 -6.624 -2.465 127 H ASP 14 H ASP 14 -9.726 -8.918 -4.575 128 HA ASP 14 HA ASP 14 -9.275 -11.725 -4.642 129 HB2 ASP 14 HB2 ASP 14 -11.588 -9.920 -4.568 130 HB3 ASP 14 HB1 ASP 14 -11.881 -11.404 -5.470 131 H PHE 15 H PHE 15 -9.771 -9.270 -7.077 132 HA PHE 15 HA PHE 15 -10.385 -11.033 -9.222 133 HB2 PHE 15 HB2 PHE 15 -9.987 -8.191 -8.848 134 HB3 PHE 15 HB1 PHE 15 -9.169 -8.744 -10.305 135 HD1 PHE 15 HD2 PHE 15 -10.637 -10.367 -11.807 136 HD2 PHE 15 HD1 PHE 15 -12.175 -7.537 -9.025 137 HE1 PHE 15 HE2 PHE 15 -12.780 -10.346 -13.018 138 HE2 PHE 15 HE1 PHE 15 -14.319 -7.511 -10.230 139 HZ PHE 15 HZ PHE 15 -14.623 -8.916 -12.230 140 H LEU 16 H LEU 16 -7.463 -9.883 -7.741 141 HA LEU 16 HA LEU 16 -5.767 -10.896 -9.862 142 HB2 LEU 16 HB2 LEU 16 -4.695 -10.032 -7.220 143 HB3 LEU 16 HB1 LEU 16 -4.011 -9.824 -8.821 144 HG LEU 16 HG LEU 16 -6.516 -8.338 -8.232 145 HD11 LEU 16 HD11 LEU 16 -4.605 -8.242 -6.311 146 HD12 LEU 16 HD12 LEU 16 -5.699 -6.915 -6.701 147 HD13 LEU 16 HD13 LEU 16 -4.074 -6.948 -7.386 148 HD21 LEU 16 HD21 LEU 16 -5.378 -6.637 -9.582 149 HD22 LEU 16 HD22 LEU 16 -5.451 -8.189 -10.416 150 HD23 LEU 16 HD23 LEU 16 -3.946 -7.663 -9.663 151 H ILE 17 H ILE 17 -6.250 -11.561 -6.412 152 HA ILE 17 HA ILE 17 -4.729 -14.013 -6.568 153 HB ILE 17 HB ILE 17 -6.395 -13.183 -4.222 154 HG12 ILE 17 HG12 ILE 17 -5.095 -11.222 -4.812 155 HG13 ILE 17 HG11 ILE 17 -4.429 -11.964 -3.362 156 HG21 ILE 17 HG21 ILE 17 -4.968 -14.526 -2.965 157 HG22 ILE 17 HG22 ILE 17 -3.719 -14.524 -4.209 158 HG23 ILE 17 HG23 ILE 17 -5.206 -15.438 -4.456 159 HD11 ILE 17 HD11 ILE 17 -3.235 -11.581 -6.007 160 HD12 ILE 17 HD12 ILE 17 -2.953 -13.166 -5.286 161 HD13 ILE 17 HD13 ILE 17 -2.477 -11.706 -4.419 162 H GLU 18 H GLU 18 -7.997 -13.269 -5.434 163 HA GLU 18 HA GLU 18 -9.920 -14.403 -5.533 164 HB2 GLU 18 HB2 GLU 18 -9.584 -14.532 -7.943 165 HB3 GLU 18 HB1 GLU 18 -8.561 -15.950 -7.735 166 HG2 GLU 18 HG2 GLU 18 -10.342 -17.282 -7.072 167 HG3 GLU 18 HG1 GLU 18 -11.384 -15.889 -6.782 168 H ASN 19 H ASN 19 -7.201 -15.458 -4.405 169 HA ASN 19 HA ASN 19 -8.169 -18.106 -3.589 170 HB2 ASN 19 HB2 ASN 19 -5.772 -17.561 -4.629 171 HB3 ASN 19 HB1 ASN 19 -5.401 -17.222 -2.941 172 HD21 ASN 19 HD21 ASN 19 -7.389 -19.658 -4.588 173 HD22 ASN 19 HD22 ASN 19 -6.636 -21.022 -3.841 174 H ASP 20 H ASP 20 -7.155 -18.658 -1.280 175 HA ASP 20 HA ASP 20 -8.082 -16.516 0.499 176 HB2 ASP 20 HB2 ASP 20 -8.214 -19.498 0.650 177 HB3 ASP 20 HB1 ASP 20 -8.174 -18.573 2.148 178 H ALA 21 H ALA 21 -5.677 -19.140 0.346 179 HA ALA 21 HA ALA 21 -4.172 -18.405 2.567 180 HB1 ALA 21 HB1 ALA 21 -2.522 -19.864 1.802 181 HB2 ALA 21 HB2 ALA 21 -2.905 -19.556 0.107 182 HB3 ALA 21 HB3 ALA 21 -4.008 -20.509 1.102 183 H GLU 22 H GLU 22 -3.817 -17.421 -0.812 184 HA GLU 22 HA GLU 22 -1.551 -15.778 -0.400 185 HB2 GLU 22 HB2 GLU 22 -3.562 -16.123 -2.576 186 HB3 GLU 22 HB1 GLU 22 -2.554 -14.681 -2.601 187 HG2 GLU 22 HG2 GLU 22 -0.833 -16.851 -2.119 188 HG3 GLU 22 HG1 GLU 22 -1.926 -17.348 -3.411 189 H LYS 23 H LYS 23 -5.030 -15.100 -0.507 190 HA LYS 23 HA LYS 23 -4.808 -12.299 -0.167 191 HB2 LYS 23 HB2 LYS 23 -6.859 -13.902 -0.788 192 HB3 LYS 23 HB1 LYS 23 -7.173 -13.737 0.934 193 HG2 LYS 23 HG2 LYS 23 -6.924 -11.193 0.466 194 HG3 LYS 23 HG1 LYS 23 -7.228 -11.660 -1.209 195 HD2 LYS 23 HD2 LYS 23 -9.009 -12.264 1.153 196 HD3 LYS 23 HD1 LYS 23 -9.300 -11.029 -0.073 197 HE2 LYS 23 HE2 LYS 23 -10.274 -12.527 -1.391 198 HE3 LYS 23 HE1 LYS 23 -8.824 -13.530 -1.367 199 HZ1 LYS 23 HZ1 LYS 23 -10.991 -14.540 -0.524 200 HZ2 LYS 23 HZ2 LYS 23 -10.762 -13.595 0.859 201 HZ3 LYS 23 HZ3 LYS 23 -9.609 -14.754 0.429 202 H ASP 24 H ASP 24 -4.829 -14.999 2.048 203 HA ASP 24 HA ASP 24 -5.295 -13.571 4.430 204 HB2 ASP 24 HB2 ASP 24 -4.979 -16.206 3.817 205 HB3 ASP 24 HB1 ASP 24 -3.437 -15.862 4.595 206 H TYR 25 H TYR 25 -2.283 -14.530 2.802 207 HA TYR 25 HA TYR 25 -0.578 -13.234 4.658 208 HB2 TYR 25 HB2 TYR 25 0.162 -15.060 3.132 209 HB3 TYR 25 HB1 TYR 25 0.002 -13.950 1.775 210 HD1 TYR 25 HD2 TYR 25 1.402 -13.295 5.161 211 HD2 TYR 25 HD1 TYR 25 2.189 -13.696 1.000 212 HE1 TYR 25 HE2 TYR 25 3.708 -12.523 5.529 213 HE2 TYR 25 HE1 TYR 25 4.498 -12.927 1.356 214 HH TYR 25 HH TYR 25 5.801 -11.680 2.941 215 H LEU 26 H LEU 26 -1.847 -12.248 1.475 216 HA LEU 26 HA LEU 26 -0.510 -9.787 1.354 217 HB2 LEU 26 HB2 LEU 26 -2.038 -10.989 -0.408 218 HB3 LEU 26 HB1 LEU 26 -3.325 -10.075 0.356 219 HG LEU 26 HG LEU 26 -0.898 -8.955 -1.044 220 HD11 LEU 26 HD11 LEU 26 -3.733 -9.370 -1.761 221 HD12 LEU 26 HD12 LEU 26 -2.293 -9.344 -2.779 222 HD13 LEU 26 HD13 LEU 26 -3.015 -7.830 -2.234 223 HD21 LEU 26 HD21 LEU 26 -3.003 -7.621 0.631 224 HD22 LEU 26 HD22 LEU 26 -2.105 -6.751 -0.612 225 HD23 LEU 26 HD23 LEU 26 -1.250 -7.482 0.747 226 H TYR 27 H TYR 27 -3.585 -10.735 2.797 227 HA TYR 27 HA TYR 27 -4.340 -8.190 3.744 228 HB2 TYR 27 HB2 TYR 27 -5.099 -10.985 4.297 229 HB3 TYR 27 HB1 TYR 27 -5.308 -9.897 5.664 230 HD1 TYR 27 HD1 TYR 27 -6.349 -7.492 4.787 231 HD2 TYR 27 HD2 TYR 27 -7.021 -11.331 3.081 232 HE1 TYR 27 HE1 TYR 27 -8.469 -6.690 3.835 233 HE2 TYR 27 HE2 TYR 27 -9.143 -10.539 2.124 234 HH TYR 27 HH TYR 27 -10.798 -8.793 2.503 235 H ASP 28 H ASP 28 -2.123 -10.654 4.905 236 HA ASP 28 HA ASP 28 -1.669 -9.461 7.463 237 HB2 ASP 28 HB2 ASP 28 -1.043 -11.884 6.286 238 HB3 ASP 28 HB1 ASP 28 0.523 -11.083 6.396 239 H VAL 29 H VAL 29 -0.268 -9.145 4.252 240 HA VAL 29 HA VAL 29 2.080 -7.758 5.005 241 HB VAL 29 HB VAL 29 0.541 -7.556 2.408 242 HG11 VAL 29 HG11 VAL 29 2.166 -5.730 2.780 243 HG12 VAL 29 HG12 VAL 29 2.609 -6.775 1.431 244 HG13 VAL 29 HG13 VAL 29 3.438 -6.936 2.980 245 HG21 VAL 29 HG21 VAL 29 2.489 -9.150 1.720 246 HG22 VAL 29 HG22 VAL 29 1.062 -9.799 2.525 247 HG23 VAL 29 HG23 VAL 29 2.540 -9.518 3.445 248 H LEU 30 H LEU 30 -1.096 -6.589 3.898 249 HA LEU 30 HA LEU 30 -0.500 -3.847 4.109 250 HB2 LEU 30 HB2 LEU 30 -3.212 -5.122 4.438 251 HB3 LEU 30 HB1 LEU 30 -2.874 -3.472 3.951 252 HG LEU 30 HG LEU 30 -2.105 -5.892 2.320 253 HD11 LEU 30 HD11 LEU 30 -4.034 -4.764 0.874 254 HD12 LEU 30 HD12 LEU 30 -4.618 -4.334 2.483 255 HD13 LEU 30 HD13 LEU 30 -4.354 -6.027 2.064 256 HD21 LEU 30 HD21 LEU 30 -1.600 -4.366 0.588 257 HD22 LEU 30 HD22 LEU 30 -0.819 -3.734 2.037 258 HD23 LEU 30 HD23 LEU 30 -2.325 -3.017 1.463 259 H ARG 31 H ARG 31 -1.835 -6.168 6.393 260 HA ARG 31 HA ARG 31 -2.481 -4.329 8.434 261 HB2 ARG 31 HB2 ARG 31 -2.865 -7.005 8.063 262 HB3 ARG 31 HB1 ARG 31 -1.618 -7.009 9.302 263 HG2 ARG 31 HG2 ARG 31 -3.929 -5.206 9.716 264 HG3 ARG 31 HG1 ARG 31 -4.211 -6.941 9.872 265 HD2 ARG 31 HD2 ARG 31 -3.368 -6.858 11.925 266 HD3 ARG 31 HD1 ARG 31 -1.813 -6.387 11.242 267 HE ARG 31 HE ARG 31 -3.164 -4.051 11.345 268 HH11 ARG 31 HH11 ARG 31 -2.534 -6.538 13.711 269 HH12 ARG 31 HH12 ARG 31 -2.550 -5.441 15.052 270 HH21 ARG 31 HH21 ARG 31 -3.184 -2.607 13.107 271 HH22 ARG 31 HH22 ARG 31 -2.919 -3.210 14.709 272 H MET 32 H MET 32 0.464 -6.050 7.600 273 HA MET 32 HA MET 32 1.884 -5.295 9.967 274 HB2 MET 32 HB2 MET 32 2.305 -7.048 7.794 275 HB3 MET 32 HB1 MET 32 3.638 -5.902 7.769 276 HG2 MET 32 HG2 MET 32 2.997 -6.979 10.416 277 HG3 MET 32 HG1 MET 32 3.568 -8.168 9.246 278 HE1 MET 32 HE1 MET 32 5.080 -7.086 12.104 279 HE2 MET 32 HE2 MET 32 6.709 -7.374 11.493 280 HE3 MET 32 HE3 MET 32 5.420 -8.526 11.143 281 H TYR 33 H TYR 33 1.962 -4.218 6.576 282 HA TYR 33 HA TYR 33 3.888 -2.216 6.881 283 HB2 TYR 33 HB2 TYR 33 3.341 -2.874 4.675 284 HB3 TYR 33 HB1 TYR 33 1.623 -2.580 4.925 285 HD1 TYR 33 HD1 TYR 33 0.723 -0.316 4.828 286 HD2 TYR 33 HD2 TYR 33 4.862 -1.055 4.169 287 HE1 TYR 33 HE1 TYR 33 0.967 1.936 3.874 288 HE2 TYR 33 HE2 TYR 33 5.115 1.196 3.213 289 HH TYR 33 HH TYR 33 4.121 3.220 2.963 290 H HIS 34 H HIS 34 0.538 -2.293 7.770 291 HA HIS 34 HA HIS 34 0.339 0.582 8.049 292 HB2 HIS 34 HB2 HIS 34 -1.576 -1.015 7.419 293 HB3 HIS 34 HB1 HIS 34 -1.623 -1.433 9.129 294 HD1 HIS 34 HD1 HIS 34 -2.376 1.355 6.749 295 HD2 HIS 34 HD2 HIS 34 -2.704 0.520 10.805 296 HE1 HIS 34 HE1 HIS 34 -3.835 3.174 7.694 297 HE2 HIS 34 HE2 HIS 34 -4.089 2.599 10.134 298 H GLN 35 H GLN 35 0.856 -2.227 10.080 299 HA GLN 35 HA GLN 35 0.627 -0.775 12.544 300 HB2 GLN 35 HB2 GLN 35 1.101 -3.550 11.726 301 HB3 GLN 35 HB1 GLN 35 1.965 -3.080 13.182 302 HG2 GLN 35 HG2 GLN 35 -0.971 -2.578 12.851 303 HG3 GLN 35 HG1 GLN 35 -0.344 -4.111 13.456 304 HE21 GLN 35 HE21 GLN 35 -0.921 -0.786 14.137 305 HE22 GLN 35 HE22 GLN 35 -0.476 -0.825 15.806 306 H THR 36 H THR 36 3.357 -2.422 10.979 307 HA THR 36 HA THR 36 5.286 -1.144 12.654 308 HB THR 36 HB THR 36 5.672 -3.376 11.723 309 HG1 THR 36 HG1 THR 36 7.532 -1.520 10.669 310 HG21 THR 36 HG21 THR 36 5.101 -3.781 9.620 311 HG22 THR 36 HG22 THR 36 6.606 -2.977 9.170 312 HG23 THR 36 HG23 THR 36 5.095 -2.068 9.204 313 H MET 37 H MET 37 3.883 -0.432 9.546 314 HA MET 37 HA MET 37 4.085 1.356 8.151 315 HB2 MET 37 HB2 MET 37 5.508 2.598 10.512 316 HB3 MET 37 HB1 MET 37 4.967 3.471 9.085 317 HG2 MET 37 HG2 MET 37 2.863 1.910 10.365 318 HG3 MET 37 HG1 MET 37 3.554 3.155 11.405 319 HE1 MET 37 HE1 MET 37 1.062 2.269 8.838 320 HE2 MET 37 HE2 MET 37 0.210 3.805 8.695 321 HE3 MET 37 HE3 MET 37 0.411 3.052 10.276 322 H ASP 38 H ASP 38 5.792 -0.593 7.569 323 HA ASP 38 HA ASP 38 8.308 0.808 6.943 324 HB2 ASP 38 HB2 ASP 38 7.899 -1.699 8.304 325 HB3 ASP 38 HB1 ASP 38 8.804 -1.960 6.817 326 H VAL 39 H VAL 39 8.330 1.300 4.863 327 HA VAL 39 HA VAL 39 6.708 0.108 2.898 328 HB VAL 39 HB VAL 39 9.279 1.615 2.405 329 HG11 VAL 39 HG11 VAL 39 6.870 0.984 0.726 330 HG12 VAL 39 HG12 VAL 39 8.570 0.660 0.383 331 HG13 VAL 39 HG13 VAL 39 7.961 2.314 0.336 332 HG21 VAL 39 HG21 VAL 39 7.178 2.579 3.857 333 HG22 VAL 39 HG22 VAL 39 6.752 3.088 2.224 334 HG23 VAL 39 HG23 VAL 39 8.298 3.568 2.921 335 H ALA 40 H ALA 40 9.810 -0.751 4.172 336 HA ALA 40 HA ALA 40 10.682 -2.350 1.982 337 HB1 ALA 40 HB1 ALA 40 11.640 -3.030 4.689 338 HB2 ALA 40 HB2 ALA 40 11.922 -1.371 4.163 339 HB3 ALA 40 HB3 ALA 40 12.545 -2.719 3.209 340 H VAL 41 H VAL 41 8.512 -2.790 4.623 341 HA VAL 41 HA VAL 41 8.570 -5.641 4.635 342 HB VAL 41 HB VAL 41 6.510 -3.722 5.738 343 HG11 VAL 41 HG11 VAL 41 6.848 -6.680 6.238 344 HG12 VAL 41 HG12 VAL 41 5.529 -5.921 5.345 345 HG13 VAL 41 HG13 VAL 41 5.714 -5.618 7.073 346 HG21 VAL 41 HG21 VAL 41 8.251 -5.265 7.541 347 HG22 VAL 41 HG22 VAL 41 7.713 -3.588 7.637 348 HG23 VAL 41 HG23 VAL 41 9.059 -4.023 6.584 349 H LEU 42 H LEU 42 6.177 -3.256 3.480 350 HA LEU 42 HA LEU 42 4.413 -5.037 2.289 351 HB2 LEU 42 HB2 LEU 42 4.802 -2.226 2.370 352 HB3 LEU 42 HB1 LEU 42 4.582 -2.674 0.689 353 HG LEU 42 HG LEU 42 2.682 -3.356 2.928 354 HD11 LEU 42 HD11 LEU 42 3.029 -0.898 1.863 355 HD12 LEU 42 HD12 LEU 42 1.488 -1.505 2.467 356 HD13 LEU 42 HD13 LEU 42 1.847 -1.575 0.744 357 HD21 LEU 42 HD21 LEU 42 2.939 -4.843 0.785 358 HD22 LEU 42 HD22 LEU 42 2.017 -3.541 0.029 359 HD23 LEU 42 HD23 LEU 42 1.341 -4.421 1.402 360 H VAL 43 H VAL 43 7.269 -3.438 0.919 361 HA VAL 43 HA VAL 43 7.003 -4.441 -1.694 362 HB VAL 43 HB VAL 43 9.585 -3.761 -0.282 363 HG11 VAL 43 HG11 VAL 43 10.631 -3.889 -2.265 364 HG12 VAL 43 HG12 VAL 43 9.267 -3.196 -3.143 365 HG13 VAL 43 HG13 VAL 43 9.268 -4.909 -2.725 366 HG21 VAL 43 HG21 VAL 43 9.181 -1.558 -0.519 367 HG22 VAL 43 HG22 VAL 43 7.490 -2.064 -0.526 368 HG23 VAL 43 HG23 VAL 43 8.331 -1.773 -2.049 369 H GLY 44 H GLY 44 8.817 -5.682 1.112 370 HA2 GLY 44 HA2 GLY 44 10.020 -7.866 -0.161 371 HA3 GLY 44 HA1 GLY 44 9.653 -7.775 1.556 372 H ASP 45 H ASP 45 7.064 -7.885 1.829 373 HA ASP 45 HA ASP 45 6.388 -10.553 1.274 374 HB2 ASP 45 HB2 ASP 45 4.501 -8.303 1.997 375 HB3 ASP 45 HB1 ASP 45 4.208 -10.026 2.203 376 H LEU 46 H LEU 46 5.467 -7.519 -0.308 377 HA LEU 46 HA LEU 46 3.514 -8.479 -2.022 378 HB2 LEU 46 HB2 LEU 46 5.405 -6.194 -2.084 379 HB3 LEU 46 HB1 LEU 46 4.640 -6.624 -3.600 380 HG LEU 46 HG LEU 46 3.267 -5.773 -1.053 381 HD11 LEU 46 HD11 LEU 46 4.378 -4.209 -2.937 382 HD12 LEU 46 HD12 LEU 46 2.941 -3.763 -2.016 383 HD13 LEU 46 HD13 LEU 46 2.775 -4.441 -3.635 384 HD21 LEU 46 HD21 LEU 46 1.394 -6.764 -1.716 385 HD22 LEU 46 HD22 LEU 46 2.281 -7.526 -3.034 386 HD23 LEU 46 HD23 LEU 46 1.495 -5.969 -3.287 387 H LYS 47 H LYS 47 7.024 -8.607 -2.335 388 HA LYS 47 HA LYS 47 7.028 -9.592 -5.007 389 HB2 LYS 47 HB2 LYS 47 9.103 -9.667 -2.813 390 HB3 LYS 47 HB1 LYS 47 9.396 -10.282 -4.433 391 HG2 LYS 47 HG2 LYS 47 8.741 -7.442 -3.679 392 HG3 LYS 47 HG1 LYS 47 10.299 -8.064 -4.227 393 HD2 LYS 47 HD2 LYS 47 8.665 -8.869 -6.244 394 HD3 LYS 47 HD1 LYS 47 7.898 -7.355 -5.761 395 HE2 LYS 47 HE2 LYS 47 9.482 -6.838 -7.463 396 HE3 LYS 47 HE1 LYS 47 10.145 -6.264 -5.933 397 HZ1 LYS 47 HZ1 LYS 47 10.886 -8.784 -7.322 398 HZ2 LYS 47 HZ2 LYS 47 11.497 -8.282 -5.827 399 HZ3 LYS 47 HZ3 LYS 47 11.832 -7.385 -7.221 400 H LEU 48 H LEU 48 7.462 -11.163 -1.843 401 HA LEU 48 HA LEU 48 7.783 -13.779 -2.675 402 HB2 LEU 48 HB2 LEU 48 6.516 -12.592 -0.226 403 HB3 LEU 48 HB1 LEU 48 6.599 -14.329 -0.448 404 HG LEU 48 HG LEU 48 9.093 -12.681 -0.639 405 HD11 LEU 48 HD11 LEU 48 7.590 -12.388 1.548 406 HD12 LEU 48 HD12 LEU 48 9.352 -12.444 1.597 407 HD13 LEU 48 HD13 LEU 48 8.413 -13.888 1.972 408 HD21 LEU 48 HD21 LEU 48 9.000 -15.339 0.633 409 HD22 LEU 48 HD22 LEU 48 10.174 -14.657 -0.491 410 HD23 LEU 48 HD23 LEU 48 8.643 -15.293 -1.094 411 H VAL 49 H VAL 49 4.904 -11.833 -2.629 412 HA VAL 49 HA VAL 49 3.241 -14.166 -3.258 413 HB VAL 49 HB VAL 49 2.330 -11.338 -2.735 414 HG11 VAL 49 HG11 VAL 49 0.549 -12.323 -3.789 415 HG12 VAL 49 HG12 VAL 49 0.216 -12.769 -2.115 416 HG13 VAL 49 HG13 VAL 49 0.959 -13.936 -3.209 417 HG21 VAL 49 HG21 VAL 49 3.117 -11.799 -0.663 418 HG22 VAL 49 HG22 VAL 49 3.022 -13.544 -0.892 419 HG23 VAL 49 HG23 VAL 49 1.562 -12.621 -0.535 420 H ILE 50 H ILE 50 4.565 -11.249 -4.593 421 HA ILE 50 HA ILE 50 3.057 -11.644 -7.077 422 HB ILE 50 HB ILE 50 4.692 -9.248 -6.237 423 HG12 ILE 50 HG12 ILE 50 1.686 -9.420 -6.377 424 HG13 ILE 50 HG11 ILE 50 2.570 -9.779 -4.898 425 HG21 ILE 50 HG21 ILE 50 4.640 -8.984 -8.486 426 HG22 ILE 50 HG22 ILE 50 3.059 -8.300 -8.110 427 HG23 ILE 50 HG23 ILE 50 3.188 -9.963 -8.681 428 HD11 ILE 50 HD11 ILE 50 3.517 -7.523 -4.939 429 HD12 ILE 50 HD12 ILE 50 1.756 -7.510 -4.879 430 HD13 ILE 50 HD13 ILE 50 2.589 -7.171 -6.395 431 H ASN 51 H ASN 51 5.402 -13.204 -6.170 432 HA ASN 51 HA ASN 51 7.789 -12.617 -7.366 433 HB2 ASN 51 HB2 ASN 51 6.443 -15.021 -6.475 434 HB3 ASN 51 HB1 ASN 51 7.423 -15.347 -7.902 435 HD21 ASN 51 HD21 ASN 51 9.675 -14.701 -7.825 436 HD22 ASN 51 HD22 ASN 51 10.507 -14.728 -6.311 437 H GLU 52 H GLU 52 4.810 -13.555 -8.905 438 HA GLU 52 HA GLU 52 6.125 -13.816 -11.504 439 HB2 GLU 52 HB2 GLU 52 3.197 -14.189 -10.881 440 HB3 GLU 52 HB1 GLU 52 4.065 -14.731 -12.310 441 HG2 GLU 52 HG2 GLU 52 5.289 -15.826 -9.968 442 HG3 GLU 52 HG1 GLU 52 3.556 -16.155 -9.949 443 HA PRO 53 HA PRO 53 5.025 -9.771 -12.848 444 HB2 PRO 53 HB2 PRO 53 4.563 -10.163 -15.486 445 HB3 PRO 53 HB1 PRO 53 6.180 -10.181 -14.775 446 HG2 PRO 53 HG2 PRO 53 4.398 -12.473 -15.482 447 HG3 PRO 53 HG1 PRO 53 6.137 -12.279 -15.764 448 HD2 PRO 53 HD2 PRO 53 5.166 -13.759 -13.729 449 HD3 PRO 53 HD1 PRO 53 6.681 -12.844 -13.593 450 H SER 54 H SER 54 2.808 -12.395 -13.338 451 HA SER 54 HA SER 54 0.636 -11.003 -14.436 452 HB2 SER 54 HB2 SER 54 1.096 -13.599 -13.867 453 HB3 SER 54 HB1 SER 54 0.029 -13.187 -12.527 454 HG SER 54 HG SER 54 -1.054 -13.928 -14.463 455 H ARG 55 H ARG 55 1.728 -11.367 -11.117 456 HA ARG 55 HA ARG 55 -0.628 -10.037 -10.064 457 HB2 ARG 55 HB2 ARG 55 1.789 -11.328 -8.860 458 HB3 ARG 55 HB1 ARG 55 0.812 -10.234 -7.891 459 HG2 ARG 55 HG2 ARG 55 -0.956 -11.662 -7.804 460 HG3 ARG 55 HG1 ARG 55 -0.583 -12.398 -9.364 461 HD2 ARG 55 HD2 ARG 55 1.530 -13.286 -8.121 462 HD3 ARG 55 HD1 ARG 55 0.582 -12.963 -6.670 463 HE ARG 55 HE ARG 55 -0.573 -14.868 -7.111 464 HH11 ARG 55 HH11 ARG 55 0.715 -13.672 -10.128 465 HH12 ARG 55 HH12 ARG 55 0.101 -14.998 -11.059 466 HH21 ARG 55 HH21 ARG 55 -1.377 -16.613 -8.334 467 HH22 ARG 55 HH22 ARG 55 -1.086 -16.667 -10.041 468 H LEU 56 H LEU 56 1.572 -8.731 -11.819 469 HA LEU 56 HA LEU 56 2.996 -6.853 -10.357 470 HB2 LEU 56 HB2 LEU 56 1.967 -6.970 -13.153 471 HB3 LEU 56 HB1 LEU 56 2.643 -5.462 -12.568 472 HG LEU 56 HG LEU 56 4.187 -8.025 -12.342 473 HD11 LEU 56 HD11 LEU 56 4.763 -6.247 -14.620 474 HD12 LEU 56 HD12 LEU 56 3.307 -7.231 -14.752 475 HD13 LEU 56 HD13 LEU 56 4.871 -8.002 -14.489 476 HD21 LEU 56 HD21 LEU 56 5.977 -6.084 -12.779 477 HD22 LEU 56 HD22 LEU 56 5.392 -6.510 -11.170 478 HD23 LEU 56 HD23 LEU 56 4.698 -5.131 -12.026 479 HA PRO 57 HA PRO 57 -1.012 -3.942 -11.279 480 HB2 PRO 57 HB2 PRO 57 -2.794 -6.148 -10.318 481 HB3 PRO 57 HB1 PRO 57 -3.155 -4.812 -11.417 482 HG2 PRO 57 HG2 PRO 57 -2.680 -7.240 -12.377 483 HG3 PRO 57 HG1 PRO 57 -2.044 -5.805 -13.201 484 HD2 PRO 57 HD2 PRO 57 -0.622 -7.829 -11.556 485 HD3 PRO 57 HD1 PRO 57 -0.028 -6.861 -12.919 486 H LEU 58 H LEU 58 -0.338 -6.270 -8.740 487 HA LEU 58 HA LEU 58 -1.706 -5.155 -6.607 488 HB2 LEU 58 HB2 LEU 58 0.323 -7.089 -6.975 489 HB3 LEU 58 HB1 LEU 58 0.876 -6.001 -5.717 490 HG LEU 58 HG LEU 58 -0.354 -8.011 -4.888 491 HD11 LEU 58 HD11 LEU 58 -0.345 -5.476 -3.935 492 HD12 LEU 58 HD12 LEU 58 -1.044 -6.858 -3.091 493 HD13 LEU 58 HD13 LEU 58 -2.078 -5.791 -4.041 494 HD21 LEU 58 HD21 LEU 58 -2.959 -6.825 -5.540 495 HD22 LEU 58 HD22 LEU 58 -2.460 -8.515 -5.489 496 HD23 LEU 58 HD23 LEU 58 -2.097 -7.532 -6.906 497 H PHE 59 H PHE 59 1.633 -4.439 -7.622 498 HA PHE 59 HA PHE 59 2.262 -2.529 -5.734 499 HB2 PHE 59 HB2 PHE 59 3.081 -2.477 -8.644 500 HB3 PHE 59 HB1 PHE 59 3.914 -1.682 -7.312 501 HD1 PHE 59 HD1 PHE 59 4.811 -3.193 -5.436 502 HD2 PHE 59 HD2 PHE 59 3.672 -4.624 -9.276 503 HE1 PHE 59 HE1 PHE 59 6.174 -5.210 -5.084 504 HE2 PHE 59 HE2 PHE 59 5.031 -6.645 -8.934 505 HZ PHE 59 HZ PHE 59 6.285 -6.940 -6.835 506 H ASP 60 H ASP 60 0.720 -1.995 -8.896 507 HA ASP 60 HA ASP 60 0.384 0.813 -8.450 508 HB2 ASP 60 HB2 ASP 60 0.448 -0.641 -10.690 509 HB3 ASP 60 HB1 ASP 60 -1.297 -0.612 -10.451 510 H ALA 61 H ALA 61 -1.421 -2.036 -7.739 511 HA ALA 61 HA ALA 61 -3.991 -0.884 -7.491 512 HB1 ALA 61 HB1 ALA 61 -4.571 -2.927 -6.306 513 HB2 ALA 61 HB2 ALA 61 -2.862 -3.334 -6.148 514 HB3 ALA 61 HB3 ALA 61 -3.613 -3.286 -7.744 515 H ILE 62 H ILE 62 -1.535 -1.704 -5.050 516 HA ILE 62 HA ILE 62 -3.013 -0.534 -2.902 517 HB ILE 62 HB ILE 62 -0.074 -1.162 -2.809 518 HG12 ILE 62 HG12 ILE 62 -2.357 -3.110 -2.404 519 HG13 ILE 62 HG11 ILE 62 -1.293 -3.089 -3.805 520 HG21 ILE 62 HG21 ILE 62 -1.212 -1.956 -0.459 521 HG22 ILE 62 HG22 ILE 62 -2.188 -0.549 -0.883 522 HG23 ILE 62 HG23 ILE 62 -0.438 -0.398 -0.736 523 HD11 ILE 62 HD11 ILE 62 -0.838 -4.762 -1.909 524 HD12 ILE 62 HD12 ILE 62 -0.165 -3.372 -1.056 525 HD13 ILE 62 HD13 ILE 62 0.516 -3.873 -2.604 526 H ARG 63 H ARG 63 -0.412 0.562 -4.988 527 HA ARG 63 HA ARG 63 0.678 2.665 -3.694 528 HB2 ARG 63 HB2 ARG 63 1.096 1.867 -6.070 529 HB3 ARG 63 HB1 ARG 63 -0.224 2.923 -6.554 530 HG2 ARG 63 HG2 ARG 63 0.952 4.857 -5.941 531 HG3 ARG 63 HG1 ARG 63 2.133 3.942 -5.003 532 HD2 ARG 63 HD2 ARG 63 2.167 2.960 -7.671 533 HD3 ARG 63 HD1 ARG 63 2.249 4.719 -7.734 534 HE ARG 63 HE ARG 63 4.081 4.095 -5.852 535 HH11 ARG 63 HH11 ARG 63 3.547 2.971 -9.113 536 HH12 ARG 63 HH12 ARG 63 5.221 2.641 -9.406 537 HH21 ARG 63 HH21 ARG 63 6.285 3.662 -6.237 538 HH22 ARG 63 HH22 ARG 63 6.775 3.032 -7.774 539 HA PRO 64 HA PRO 64 -2.936 5.688 -5.155 540 HB2 PRO 64 HB2 PRO 64 -5.385 4.350 -5.020 541 HB3 PRO 64 HB1 PRO 64 -4.539 4.820 -6.497 542 HG2 PRO 64 HG2 PRO 64 -4.591 2.191 -5.096 543 HG3 PRO 64 HG1 PRO 64 -4.580 2.537 -6.834 544 HD2 PRO 64 HD2 PRO 64 -2.374 1.705 -5.588 545 HD3 PRO 64 HD1 PRO 64 -2.287 2.935 -6.865 546 H LEU 65 H LEU 65 -4.133 3.023 -3.069 547 HA LEU 65 HA LEU 65 -5.186 4.869 -1.155 548 HB2 LEU 65 HB2 LEU 65 -5.384 2.738 0.269 549 HB3 LEU 65 HB1 LEU 65 -6.358 2.878 -1.180 550 HG LEU 65 HG LEU 65 -3.762 1.537 -1.548 551 HD11 LEU 65 HD11 LEU 65 -5.816 -0.230 -0.403 552 HD12 LEU 65 HD12 LEU 65 -5.000 0.839 0.740 553 HD13 LEU 65 HD13 LEU 65 -4.060 -0.277 -0.251 554 HD21 LEU 65 HD21 LEU 65 -4.928 0.285 -3.114 555 HD22 LEU 65 HD22 LEU 65 -5.730 1.853 -3.191 556 HD23 LEU 65 HD23 LEU 65 -6.475 0.526 -2.301 557 H ILE 66 H ILE 66 -2.061 3.878 -1.791 558 HA ILE 66 HA ILE 66 -1.116 3.828 0.934 559 HB ILE 66 HB ILE 66 0.187 3.604 -1.753 560 HG12 ILE 66 HG12 ILE 66 0.269 1.934 0.767 561 HG13 ILE 66 HG11 ILE 66 -0.679 1.589 -0.677 562 HG21 ILE 66 HG21 ILE 66 1.687 5.116 -0.693 563 HG22 ILE 66 HG22 ILE 66 2.407 3.509 -0.597 564 HG23 ILE 66 HG23 ILE 66 1.625 4.211 0.820 565 HD11 ILE 66 HD11 ILE 66 1.848 0.647 -0.095 566 HD12 ILE 66 HD12 ILE 66 2.129 1.918 -1.285 567 HD13 ILE 66 HD13 ILE 66 1.037 0.587 -1.661 568 HA PRO 67 HA PRO 67 -0.778 8.194 1.761 569 HB2 PRO 67 HB2 PRO 67 1.867 7.860 2.827 570 HB3 PRO 67 HB1 PRO 67 0.359 8.101 3.705 571 HG2 PRO 67 HG2 PRO 67 1.838 5.619 3.180 572 HG3 PRO 67 HG1 PRO 67 0.633 5.967 4.428 573 HD2 PRO 67 HD2 PRO 67 0.138 4.344 2.319 574 HD3 PRO 67 HD1 PRO 67 -1.123 5.338 3.077 575 H LEU 68 H LEU 68 -0.192 9.807 0.699 576 HA LEU 68 HA LEU 68 1.039 9.784 -1.730 577 HB2 LEU 68 HB2 LEU 68 0.153 11.689 0.269 578 HB3 LEU 68 HB1 LEU 68 1.466 12.314 -0.711 579 HG LEU 68 HG LEU 68 -1.153 11.239 -1.733 580 HD11 LEU 68 HD11 LEU 68 -1.668 13.525 -2.324 581 HD12 LEU 68 HD12 LEU 68 -0.105 14.067 -1.709 582 HD13 LEU 68 HD13 LEU 68 -1.316 13.422 -0.599 583 HD21 LEU 68 HD21 LEU 68 0.555 12.791 -3.538 584 HD22 LEU 68 HD22 LEU 68 -0.370 11.320 -3.834 585 HD23 LEU 68 HD23 LEU 68 1.219 11.225 -3.075 586 H LYS 69 H LYS 69 2.514 10.552 1.422 587 HA LYS 69 HA LYS 69 5.074 11.176 0.368 588 HB2 LYS 69 HB2 LYS 69 5.858 10.892 2.711 589 HB3 LYS 69 HB1 LYS 69 4.464 11.954 2.574 590 HG2 LYS 69 HG2 LYS 69 3.007 10.104 3.274 591 HG3 LYS 69 HG1 LYS 69 4.428 9.073 3.453 592 HD2 LYS 69 HD2 LYS 69 5.317 10.558 5.162 593 HD3 LYS 69 HD1 LYS 69 3.942 11.646 4.954 594 HE2 LYS 69 HE2 LYS 69 2.550 10.323 6.138 595 HE3 LYS 69 HE1 LYS 69 3.263 8.836 5.514 596 HZ1 LYS 69 HZ1 LYS 69 4.773 10.495 7.419 597 HZ2 LYS 69 HZ2 LYS 69 4.883 8.833 7.129 598 HZ3 LYS 69 HZ3 LYS 69 3.567 9.456 7.989 599 H HIS 70 H HIS 70 3.694 8.249 1.808 600 HA HIS 70 HA HIS 70 6.013 6.661 1.578 601 HB2 HIS 70 HB2 HIS 70 3.088 5.959 1.794 602 HB3 HIS 70 HB1 HIS 70 4.357 4.740 1.750 603 HD1 HIS 70 HD1 HIS 70 3.098 4.342 4.218 604 HD2 HIS 70 HD2 HIS 70 5.671 7.580 3.810 605 HE1 HIS 70 HE1 HIS 70 3.744 4.987 6.561 606 HE2 HIS 70 HE2 HIS 70 5.219 7.011 6.293 607 H GLN 71 H GLN 71 3.512 7.556 -0.674 608 HA GLN 71 HA GLN 71 3.830 5.524 -2.580 609 HB2 GLN 71 HB2 GLN 71 2.896 8.371 -2.713 610 HB3 GLN 71 HB1 GLN 71 3.117 7.455 -4.198 611 HG2 GLN 71 HG2 GLN 71 1.527 5.793 -3.439 612 HG3 GLN 71 HG1 GLN 71 1.342 6.644 -1.906 613 HE21 GLN 71 HE21 GLN 71 1.386 7.645 -5.312 614 HE22 GLN 71 HE22 GLN 71 -0.114 8.502 -5.256 615 H VAL 72 H VAL 72 5.383 8.712 -2.327 616 HA VAL 72 HA VAL 72 7.075 8.481 -4.549 617 HB VAL 72 HB VAL 72 7.915 9.880 -2.030 618 HG11 VAL 72 HG11 VAL 72 8.321 10.457 -4.960 619 HG12 VAL 72 HG12 VAL 72 9.531 9.872 -3.816 620 HG13 VAL 72 HG13 VAL 72 8.866 11.497 -3.644 621 HG21 VAL 72 HG21 VAL 72 6.634 11.846 -3.354 622 HG22 VAL 72 HG22 VAL 72 5.894 10.896 -2.067 623 HG23 VAL 72 HG23 VAL 72 5.595 10.477 -3.753 624 H GLU 73 H GLU 73 7.706 7.804 -1.103 625 HA GLU 73 HA GLU 73 10.301 6.791 -1.427 626 HB2 GLU 73 HB2 GLU 73 8.163 6.425 0.644 627 HB3 GLU 73 HB1 GLU 73 9.607 5.424 0.713 628 HG2 GLU 73 HG2 GLU 73 11.007 7.362 0.918 629 HG3 GLU 73 HG1 GLU 73 9.628 8.433 0.670 630 H TYR 74 H TYR 74 7.151 5.341 -1.835 631 HA TYR 74 HA TYR 74 7.908 2.639 -1.997 632 HB2 TYR 74 HB2 TYR 74 5.539 3.667 -1.929 633 HB3 TYR 74 HB1 TYR 74 5.718 3.872 -3.666 634 HD1 TYR 74 HD1 TYR 74 6.002 1.236 -1.034 635 HD2 TYR 74 HD2 TYR 74 5.011 2.173 -5.064 636 HE1 TYR 74 HE1 TYR 74 5.229 -1.073 -1.375 637 HE2 TYR 74 HE2 TYR 74 4.237 -0.134 -5.416 638 HH TYR 74 HH TYR 74 3.317 -2.026 -3.842 639 H ASP 75 H ASP 75 7.999 5.316 -4.241 640 HA ASP 75 HA ASP 75 8.649 3.753 -6.550 641 HB2 ASP 75 HB2 ASP 75 7.763 6.282 -6.230 642 HB3 ASP 75 HB1 ASP 75 9.482 6.599 -6.439 643 H GLN 76 H GLN 76 10.468 5.449 -4.055 644 HA GLN 76 HA GLN 76 13.006 5.281 -5.289 645 HB2 GLN 76 HB2 GLN 76 12.388 5.376 -2.332 646 HB3 GLN 76 HB1 GLN 76 13.912 5.804 -3.096 647 HG2 GLN 76 HG2 GLN 76 11.309 7.229 -3.589 648 HG3 GLN 76 HG1 GLN 76 12.525 7.744 -2.422 649 HE21 GLN 76 HE21 GLN 76 11.484 9.097 -4.800 650 HE22 GLN 76 HE22 GLN 76 12.859 9.437 -5.790 651 H LEU 77 H LEU 77 11.155 3.060 -3.315 652 HA LEU 77 HA LEU 77 13.379 1.224 -3.021 653 HB2 LEU 77 HB2 LEU 77 10.498 1.149 -2.156 654 HB3 LEU 77 HB1 LEU 77 11.564 -0.231 -1.967 655 HG LEU 77 HG LEU 77 12.526 2.346 -0.860 656 HD11 LEU 77 HD11 LEU 77 10.597 0.768 0.779 657 HD12 LEU 77 HD12 LEU 77 9.995 2.002 -0.330 658 HD13 LEU 77 HD13 LEU 77 11.118 2.445 0.955 659 HD21 LEU 77 HD21 LEU 77 12.811 -0.556 -0.378 660 HD22 LEU 77 HD22 LEU 77 12.903 0.493 1.036 661 HD23 LEU 77 HD23 LEU 77 14.015 0.731 -0.313 662 H THR 78 H THR 78 10.651 1.688 -5.112 663 HA THR 78 HA THR 78 10.994 -0.974 -6.284 664 HB THR 78 HB THR 78 8.920 -0.429 -7.545 665 HG1 THR 78 HG1 THR 78 7.789 1.443 -6.952 666 HG21 THR 78 HG21 THR 78 7.463 -0.045 -5.379 667 HG22 THR 78 HG22 THR 78 8.985 -0.454 -4.587 668 HG23 THR 78 HG23 THR 78 8.247 -1.587 -5.719 669 HA PRO 79 HA PRO 79 13.521 1.403 -9.261 670 HB2 PRO 79 HB2 PRO 79 14.831 -0.765 -10.243 671 HB3 PRO 79 HB1 PRO 79 15.314 0.058 -8.755 672 HG2 PRO 79 HG2 PRO 79 13.694 -2.438 -9.099 673 HG3 PRO 79 HG1 PRO 79 15.004 -2.105 -7.949 674 HD2 PRO 79 HD2 PRO 79 12.399 -1.985 -7.242 675 HD3 PRO 79 HD1 PRO 79 13.624 -0.915 -6.530 676 H ARG 80 H ARG 80 14.131 0.425 -11.681 677 HA ARG 80 HA ARG 80 12.037 -0.999 -12.965 678 HB2 ARG 80 HB2 ARG 80 11.301 1.562 -12.433 679 HB3 ARG 80 HB1 ARG 80 12.039 1.759 -14.018 680 HG2 ARG 80 HG2 ARG 80 10.546 0.057 -14.929 681 HG3 ARG 80 HG1 ARG 80 9.808 -0.147 -13.340 682 HD2 ARG 80 HD2 ARG 80 8.338 1.294 -14.410 683 HD3 ARG 80 HD1 ARG 80 9.357 2.391 -13.479 684 HE ARG 80 HE ARG 80 10.287 1.940 -16.161 685 HH11 ARG 80 HH11 ARG 80 8.171 3.852 -14.151 686 HH12 ARG 80 HH12 ARG 80 8.136 5.194 -15.246 687 HH21 ARG 80 HH21 ARG 80 10.244 3.705 -17.601 688 HH22 ARG 80 HH22 ARG 80 9.313 5.110 -17.205 689 H1 ASP 100 H ASP 100 -5.374 13.045 0.977 690 HA ASP 100 HA ASP 100 -6.117 10.493 -0.181 691 HB2 ASP 100 HB2 ASP 100 -4.831 12.169 -1.856 692 HB3 ASP 100 HB1 ASP 100 -3.445 11.435 -1.056 693 H ASP 101 H ASP 101 -5.651 11.387 2.481 694 HA ASP 101 HA ASP 101 -3.059 10.761 3.403 695 HB2 ASP 101 HB2 ASP 101 -5.277 11.857 4.535 696 HB3 ASP 101 HB1 ASP 101 -5.299 10.252 5.256 697 H ASP 102 H ASP 102 -3.541 8.937 5.502 698 HA ASP 102 HA ASP 102 -3.398 6.455 4.011 699 HB2 ASP 102 HB2 ASP 102 -2.066 7.402 6.220 700 HB3 ASP 102 HB1 ASP 102 -3.223 6.281 6.934 701 H ARG 103 H ARG 103 -5.967 8.095 4.880 702 HA ARG 103 HA ARG 103 -7.500 6.475 6.557 703 HB2 ARG 103 HB2 ARG 103 -8.033 8.817 5.739 704 HB3 ARG 103 HB1 ARG 103 -8.585 8.076 4.242 705 HG2 ARG 103 HG2 ARG 103 -10.579 7.816 5.161 706 HG3 ARG 103 HG1 ARG 103 -9.868 6.683 6.309 707 HD2 ARG 103 HD2 ARG 103 -10.645 8.149 7.834 708 HD3 ARG 103 HD1 ARG 103 -9.159 9.017 7.449 709 HE ARG 103 HE ARG 103 -10.408 10.651 6.438 710 HH11 ARG 103 HH11 ARG 103 -12.417 7.844 6.959 711 HH12 ARG 103 HH12 ARG 103 -13.880 8.655 6.516 712 HH21 ARG 103 HH21 ARG 103 -12.334 11.718 5.854 713 HH22 ARG 103 HH22 ARG 103 -13.834 10.853 5.888 714 H TYR 104 H TYR 104 -6.821 6.251 3.127 715 HA TYR 104 HA TYR 104 -8.805 4.409 2.402 716 HB2 TYR 104 HB2 TYR 104 -6.054 4.941 1.282 717 HB3 TYR 104 HB1 TYR 104 -7.172 3.797 0.550 718 HD1 TYR 104 HD1 TYR 104 -6.776 7.370 1.480 719 HD2 TYR 104 HD2 TYR 104 -8.858 4.534 -0.911 720 HE1 TYR 104 HE1 TYR 104 -7.825 9.207 0.226 721 HE2 TYR 104 HE2 TYR 104 -9.913 6.362 -2.172 722 HH TYR 104 HH TYR 104 -10.470 8.781 -1.791 723 H LEU 105 H LEU 105 -5.416 3.842 3.349 724 HA LEU 105 HA LEU 105 -5.451 1.063 3.230 725 HB2 LEU 105 HB2 LEU 105 -3.624 3.007 3.950 726 HB3 LEU 105 HB1 LEU 105 -3.851 2.106 5.437 727 HG LEU 105 HG LEU 105 -3.250 0.027 4.273 728 HD11 LEU 105 HD11 LEU 105 -3.358 1.815 1.931 729 HD12 LEU 105 HD12 LEU 105 -3.708 0.091 2.066 730 HD13 LEU 105 HD13 LEU 105 -2.038 0.646 1.961 731 HD21 LEU 105 HD21 LEU 105 -1.462 2.337 4.566 732 HD22 LEU 105 HD22 LEU 105 -0.847 1.047 3.533 733 HD23 LEU 105 HD23 LEU 105 -1.314 0.698 5.197 734 H ARG 106 H ARG 106 -6.019 3.161 6.053 735 HA ARG 106 HA ARG 106 -6.597 1.120 7.878 736 HB2 ARG 106 HB2 ARG 106 -6.249 3.737 8.154 737 HB3 ARG 106 HB1 ARG 106 -8.006 3.738 8.102 738 HG2 ARG 106 HG2 ARG 106 -7.071 1.697 9.892 739 HG3 ARG 106 HG1 ARG 106 -6.359 3.256 10.308 740 HD2 ARG 106 HD2 ARG 106 -8.951 3.945 9.834 741 HD3 ARG 106 HD1 ARG 106 -9.136 2.328 10.512 742 HE ARG 106 HE ARG 106 -8.485 3.142 12.551 743 HH11 ARG 106 HH11 ARG 106 -7.673 5.477 10.088 744 HH12 ARG 106 HH12 ARG 106 -7.226 6.706 11.224 745 HH21 ARG 106 HH21 ARG 106 -7.900 4.756 14.045 746 HH22 ARG 106 HH22 ARG 106 -7.355 6.297 13.471 747 H GLU 107 H GLU 107 -8.572 2.715 5.474 748 HA GLU 107 HA GLU 107 -11.112 1.973 6.381 749 HB2 GLU 107 HB2 GLU 107 -10.038 3.254 4.122 750 HB3 GLU 107 HB1 GLU 107 -10.956 1.891 3.495 751 HG2 GLU 107 HG2 GLU 107 -11.964 4.100 5.269 752 HG3 GLU 107 HG1 GLU 107 -12.373 3.813 3.579 753 H ALA 108 H ALA 108 -9.119 0.373 3.887 754 HA ALA 108 HA ALA 108 -10.792 -1.932 3.778 755 HB1 ALA 108 HB1 ALA 108 -7.969 -2.078 2.866 756 HB2 ALA 108 HB2 ALA 108 -9.045 -0.940 2.056 757 HB3 ALA 108 HB3 ALA 108 -9.442 -2.658 2.089 758 H ILE 109 H ILE 109 -7.702 -1.196 5.328 759 HA ILE 109 HA ILE 109 -7.072 -3.726 6.307 760 HB ILE 109 HB ILE 109 -6.463 -0.978 7.397 761 HG12 ILE 109 HG12 ILE 109 -4.642 -2.992 6.075 762 HG13 ILE 109 HG11 ILE 109 -5.502 -1.739 5.185 763 HG21 ILE 109 HG21 ILE 109 -4.737 -2.064 8.799 764 HG22 ILE 109 HG22 ILE 109 -5.418 -3.633 8.368 765 HG23 ILE 109 HG23 ILE 109 -6.384 -2.473 9.282 766 HD11 ILE 109 HD11 ILE 109 -4.280 -0.024 6.233 767 HD12 ILE 109 HD12 ILE 109 -3.103 -1.258 5.787 768 HD13 ILE 109 HD13 ILE 109 -3.646 -1.122 7.459 769 H GLN 110 H GLN 110 -8.756 -1.075 8.008 770 HA GLN 110 HA GLN 110 -9.386 -2.583 10.296 771 HB2 GLN 110 HB2 GLN 110 -9.437 -0.076 10.120 772 HB3 GLN 110 HB1 GLN 110 -10.937 -0.227 9.214 773 HG2 GLN 110 HG2 GLN 110 -11.823 0.098 11.261 774 HG3 GLN 110 HG1 GLN 110 -11.619 -1.652 11.353 775 HE21 GLN 110 HE21 GLN 110 -11.223 1.088 13.034 776 HE22 GLN 110 HE22 GLN 110 -9.920 0.631 14.073 777 H GLU 111 H GLU 111 -11.048 -2.126 7.238 778 HA GLU 111 HA GLU 111 -13.543 -3.174 7.895 779 HB2 GLU 111 HB2 GLU 111 -12.051 -2.627 5.468 780 HB3 GLU 111 HB1 GLU 111 -12.991 -4.105 5.306 781 HG2 GLU 111 HG2 GLU 111 -14.269 -2.228 4.515 782 HG3 GLU 111 HG1 GLU 111 -15.007 -2.877 5.978 783 H TYR 112 H TYR 112 -10.536 -4.773 7.022 784 HA TYR 112 HA TYR 112 -11.640 -7.407 7.030 785 HB2 TYR 112 HB2 TYR 112 -9.475 -6.610 5.877 786 HB3 TYR 112 HB1 TYR 112 -8.730 -6.748 7.467 787 HD1 TYR 112 HD2 TYR 112 -10.762 -8.750 5.057 788 HD2 TYR 112 HD1 TYR 112 -7.760 -8.762 8.072 789 HE1 TYR 112 HE2 TYR 112 -10.383 -11.148 4.662 790 HE2 TYR 112 HE1 TYR 112 -7.373 -11.160 7.685 791 HH TYR 112 HH TYR 112 -8.293 -12.769 5.044 792 H ASP 113 H ASP 113 -10.136 -5.286 9.382 793 HA ASP 113 HA ASP 113 -9.669 -7.165 11.415 794 HB2 ASP 113 HB2 ASP 113 -9.956 -4.222 11.253 795 HB3 ASP 113 HB1 ASP 113 -10.264 -4.933 12.834 796 H ASN 114 H ASN 114 -12.550 -5.529 10.325 797 HA ASN 114 HA ASN 114 -14.141 -6.364 12.585 798 HB2 ASN 114 HB2 ASN 114 -14.422 -4.516 10.397 799 HB3 ASN 114 HB1 ASN 114 -15.826 -5.577 10.455 800 HD21 ASN 114 HD21 ASN 114 -17.376 -5.127 11.859 801 HD22 ASN 114 HD22 ASN 114 -17.257 -3.997 13.160 802 H ILE 115 H ILE 115 -13.520 -7.423 9.294 803 HA ILE 115 HA ILE 115 -15.645 -9.322 9.191 804 HB ILE 115 HB ILE 115 -13.097 -9.219 7.570 805 HG12 ILE 115 HG12 ILE 115 -15.748 -8.366 6.505 806 HG13 ILE 115 HG11 ILE 115 -14.915 -7.270 7.602 807 HG21 ILE 115 HG21 ILE 115 -15.341 -10.378 6.215 808 HG22 ILE 115 HG22 ILE 115 -15.048 -11.230 7.731 809 HG23 ILE 115 HG23 ILE 115 -13.753 -11.072 6.544 810 HD11 ILE 115 HD11 ILE 115 -14.459 -7.752 4.822 811 HD12 ILE 115 HD12 ILE 115 -12.998 -8.107 5.742 812 HD13 ILE 115 HD13 ILE 115 -13.760 -6.521 5.874 813 H ALA 116 H ALA 116 -12.287 -9.426 10.202 814 HA ALA 116 HA ALA 116 -12.345 -12.303 10.579 815 HB1 ALA 116 HB1 ALA 116 -10.288 -11.378 9.772 816 HB2 ALA 116 HB2 ALA 116 -10.019 -11.972 11.411 817 HB3 ALA 116 HB3 ALA 116 -10.212 -10.243 11.119 818 H LYS 117 H LYS 117 -14.327 -11.480 12.079 819 HA LYS 117 HA LYS 117 -13.421 -12.022 14.766 820 HB2 LYS 117 HB2 LYS 117 -14.604 -9.374 13.986 821 HB3 LYS 117 HB1 LYS 117 -14.825 -10.013 15.609 822 HG2 LYS 117 HG2 LYS 117 -12.133 -10.296 15.249 823 HG3 LYS 117 HG1 LYS 117 -12.474 -8.807 14.364 824 HD2 LYS 117 HD2 LYS 117 -12.146 -7.934 16.447 825 HD3 LYS 117 HD1 LYS 117 -13.876 -8.270 16.550 826 HE2 LYS 117 HE2 LYS 117 -12.232 -10.559 17.286 827 HE3 LYS 117 HE1 LYS 117 -11.937 -9.149 18.304 828 HZ1 LYS 117 HZ1 LYS 117 -13.672 -10.371 19.302 829 HZ2 LYS 117 HZ2 LYS 117 -14.512 -10.541 17.845 830 HZ3 LYS 117 HZ3 LYS 117 -14.408 -9.025 18.587
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