NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
532215 | 2lpd | 18255 | 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 9.625 -22.485 16.884 2 H2 MET 1 HT2 MET 1 9.067 -23.026 15.382 3 H3 MET 1 HT3 MET 1 10.059 -21.662 15.476 4 HA MET 1 HA MET 1 11.904 -22.960 16.224 5 HB2 MET 1 HB2 MET 1 9.964 -25.277 15.996 6 HB3 MET 1 HB1 MET 1 11.703 -25.468 16.171 7 HG2 MET 1 HG2 MET 1 11.595 -24.317 18.341 8 HG3 MET 1 HG1 MET 1 9.844 -24.186 18.165 9 HE1 MET 1 HE1 MET 1 10.250 -26.944 20.948 10 HE2 MET 1 HE2 MET 1 9.512 -25.396 20.539 11 HE3 MET 1 HE3 MET 1 11.263 -25.520 20.714 12 H ALA 2 HN ALA 2 9.627 -24.493 13.943 13 HA ALA 2 HA ALA 2 11.541 -25.184 12.017 14 HB1 ALA 2 HB1 ALA 2 9.302 -26.176 12.129 15 HB2 ALA 2 HB2 ALA 2 9.651 -25.543 10.520 16 HB3 ALA 2 HB3 ALA 2 8.598 -24.643 11.613 17 H HIS 3 HN HIS 3 11.532 -24.309 9.726 18 HA HIS 3 HA HIS 3 11.476 -21.367 9.780 19 HB2 HIS 3 HB2 HIS 3 13.687 -21.408 8.544 20 HB3 HIS 3 HB1 HIS 3 13.750 -21.859 10.241 21 HD1 HIS 3 HD1 HIS 3 14.366 -23.164 6.828 22 HD2 HIS 3 HD2 HIS 3 14.317 -24.593 10.729 23 HE1 HIS 3 HE1 HIS 3 15.487 -25.414 6.737 24 HE2 HIS 3 HE2 HIS 3 15.648 -26.138 9.144 25 H HIS 4 HN HIS 4 9.732 -23.421 8.491 26 HA HIS 4 HA HIS 4 9.986 -22.538 5.705 27 HB2 HIS 4 HB2 HIS 4 7.964 -24.360 7.051 28 HB3 HIS 4 HB1 HIS 4 7.864 -23.871 5.364 29 HD1 HIS 4 HD1 HIS 4 8.668 -26.726 7.066 30 HD2 HIS 4 HD2 HIS 4 10.778 -24.500 4.259 31 HE1 HIS 4 HE1 HIS 4 10.341 -28.311 6.066 32 HE2 HIS 4 HE2 HIS 4 11.459 -26.997 4.230 33 H HIS 5 HN HIS 5 9.240 -20.558 5.249 34 HA HIS 5 HA HIS 5 8.234 -18.934 7.252 35 HB2 HIS 5 HB2 HIS 5 9.451 -18.191 5.163 36 HB3 HIS 5 HB1 HIS 5 7.918 -18.336 4.306 37 HD1 HIS 5 HD1 HIS 5 7.585 -15.841 3.853 38 HD2 HIS 5 HD2 HIS 5 8.185 -16.722 7.871 39 HE1 HIS 5 HE1 HIS 5 7.036 -13.727 5.102 40 HE2 HIS 5 HE2 HIS 5 7.185 -14.366 7.539 41 H HIS 6 HN HIS 6 6.389 -20.367 4.528 42 HA HIS 6 HA HIS 6 3.986 -20.110 6.188 43 HB2 HIS 6 HB2 HIS 6 4.278 -18.951 3.412 44 HB3 HIS 6 HB1 HIS 6 2.703 -19.384 4.070 45 HD1 HIS 6 HD1 HIS 6 1.596 -17.692 5.554 46 HD2 HIS 6 HD2 HIS 6 5.599 -16.829 4.892 47 HE1 HIS 6 HE1 HIS 6 2.000 -15.483 6.670 48 HE2 HIS 6 HE2 HIS 6 4.464 -15.090 6.439 49 H HIS 7 HN HIS 7 2.477 -21.680 5.903 50 HA HIS 7 HA HIS 7 3.358 -24.102 4.618 51 HB2 HIS 7 HB2 HIS 7 2.244 -24.287 6.758 52 HB3 HIS 7 HB1 HIS 7 0.841 -23.408 6.162 53 HD1 HIS 7 HD1 HIS 7 -1.062 -24.974 5.871 54 HD2 HIS 7 HD2 HIS 7 2.563 -26.756 4.872 55 HE1 HIS 7 HE1 HIS 7 -1.637 -27.294 5.094 56 HE2 HIS 7 HE2 HIS 7 0.549 -28.285 4.335 57 H HIS 8 HN HIS 8 2.830 -24.797 2.648 58 HA HIS 8 HA HIS 8 1.318 -23.258 0.829 59 HB2 HIS 8 HB2 HIS 8 3.120 -24.861 0.182 60 HB3 HIS 8 HB1 HIS 8 2.070 -26.195 0.642 61 HD1 HIS 8 HD1 HIS 8 0.993 -27.240 -1.321 62 HD2 HIS 8 HD2 HIS 8 1.666 -23.180 -1.912 63 HE1 HIS 8 HE1 HIS 8 0.209 -26.756 -3.659 64 HE2 HIS 8 HE2 HIS 8 0.818 -24.349 -4.056 65 H MET 9 HN MET 9 -0.774 -22.883 1.309 66 HA MET 9 HA MET 9 -2.471 -24.643 2.706 67 HB2 MET 9 HB2 MET 9 -2.991 -22.178 1.056 68 HB3 MET 9 HB1 MET 9 -4.299 -23.069 1.819 69 HG2 MET 9 HG2 MET 9 -1.960 -21.854 3.278 70 HG3 MET 9 HG1 MET 9 -3.557 -21.122 3.125 71 HE1 MET 9 HE1 MET 9 -3.710 -22.125 6.847 72 HE2 MET 9 HE2 MET 9 -4.018 -20.868 5.648 73 HE3 MET 9 HE3 MET 9 -2.367 -21.409 5.956 74 H GLY 10 HN GLY 10 -4.116 -25.962 2.074 75 HA2 GLY 10 HA2 GLY 10 -4.103 -27.044 -0.595 76 HA3 GLY 10 HA1 GLY 10 -5.174 -27.509 0.724 77 H THR 11 HN THR 11 -6.124 -27.235 -1.850 78 HA THR 11 HA THR 11 -6.917 -24.689 -2.658 79 HB THR 11 HB THR 11 -8.385 -27.266 -3.260 80 HG1 THR 11 HG1 THR 11 -6.755 -27.808 -4.499 81 HG21 THR 11 HG21 THR 11 -8.066 -24.711 -4.852 82 HG22 THR 11 HG22 THR 11 -9.531 -25.230 -4.018 83 HG23 THR 11 HG23 THR 11 -8.919 -26.161 -5.385 84 H LEU 12 HN LEU 12 -9.212 -27.170 -1.458 85 HA LEU 12 HA LEU 12 -11.079 -25.006 -0.855 86 HB2 LEU 12 HB2 LEU 12 -11.847 -26.909 -2.207 87 HB3 LEU 12 HB1 LEU 12 -11.485 -28.001 -0.884 88 HG LEU 12 HG LEU 12 -13.218 -26.936 0.493 89 HD11 LEU 12 HD11 LEU 12 -13.109 -24.674 -0.412 90 HD12 LEU 12 HD12 LEU 12 -14.755 -25.298 -0.478 91 HD13 LEU 12 HD13 LEU 12 -13.778 -25.244 -1.944 92 HD21 LEU 12 HD21 LEU 12 -13.834 -28.850 -0.871 93 HD22 LEU 12 HD22 LEU 12 -14.189 -27.790 -2.235 94 HD23 LEU 12 HD23 LEU 12 -15.175 -27.710 -0.773 95 H GLU 13 HN GLU 13 -10.062 -28.016 0.754 96 HA GLU 13 HA GLU 13 -10.408 -26.665 3.357 97 HB2 GLU 13 HB2 GLU 13 -10.856 -29.576 2.633 98 HB3 GLU 13 HB1 GLU 13 -10.928 -28.931 4.268 99 HG2 GLU 13 HG2 GLU 13 -12.859 -27.652 3.785 100 HG3 GLU 13 HG1 GLU 13 -12.698 -27.928 2.051 101 H ALA 14 HN ALA 14 -8.588 -26.462 4.499 102 HA ALA 14 HA ALA 14 -6.677 -28.588 4.733 103 HB1 ALA 14 HB1 ALA 14 -4.717 -27.352 3.931 104 HB2 ALA 14 HB2 ALA 14 -5.760 -26.031 3.405 105 HB3 ALA 14 HB3 ALA 14 -5.884 -27.612 2.634 106 H GLN 15 HN GLN 15 -6.984 -28.504 6.908 107 HA GLN 15 HA GLN 15 -6.991 -26.052 8.394 108 HB2 GLN 15 HB2 GLN 15 -6.761 -28.914 9.372 109 HB3 GLN 15 HB1 GLN 15 -7.103 -27.509 10.375 110 HG2 GLN 15 HG2 GLN 15 -9.193 -27.144 9.153 111 HG3 GLN 15 HG1 GLN 15 -8.852 -28.557 8.156 112 HE21 GLN 15 HE21 GLN 15 -9.800 -27.433 11.307 113 HE22 GLN 15 HE22 GLN 15 -10.347 -28.960 11.904 114 H THR 16 HN THR 16 -5.197 -24.911 8.738 115 HA THR 16 HA THR 16 -2.660 -26.337 9.224 116 HB THR 16 HB THR 16 -3.025 -23.422 8.449 117 HG1 THR 16 HG1 THR 16 -3.604 -24.658 6.680 118 HG21 THR 16 HG21 THR 16 -0.618 -23.517 7.928 119 HG22 THR 16 HG22 THR 16 -0.557 -25.177 8.520 120 HG23 THR 16 HG23 THR 16 -0.921 -23.857 9.632 121 H GLN 17 HN GLN 17 -4.290 -26.475 11.292 122 HA GLN 17 HA GLN 17 -2.936 -25.203 13.404 123 HB2 GLN 17 HB2 GLN 17 -4.278 -23.244 12.522 124 HB3 GLN 17 HB1 GLN 17 -5.734 -24.128 12.953 125 HG2 GLN 17 HG2 GLN 17 -5.209 -22.500 14.657 126 HG3 GLN 17 HG1 GLN 17 -5.034 -24.131 15.304 127 HE21 GLN 17 HE21 GLN 17 -3.342 -21.263 14.249 128 HE22 GLN 17 HE22 GLN 17 -1.834 -21.639 15.005 129 H GLY 18 HN GLY 18 -6.337 -26.045 12.754 130 HA2 GLY 18 HA2 GLY 18 -6.534 -28.596 13.596 131 HA3 GLY 18 HA1 GLY 18 -6.468 -27.713 15.119 132 HA PRO 19 HA PRO 19 -10.916 -27.677 13.640 133 HB2 PRO 19 HB2 PRO 19 -12.002 -28.879 15.831 134 HB3 PRO 19 HB1 PRO 19 -11.436 -29.785 14.423 135 HG2 PRO 19 HG2 PRO 19 -10.071 -29.314 17.049 136 HG3 PRO 19 HG1 PRO 19 -10.157 -30.798 16.083 137 HD2 PRO 19 HD2 PRO 19 -7.981 -29.162 16.100 138 HD3 PRO 19 HD1 PRO 19 -8.443 -30.140 14.691 139 H GLY 20 HN GLY 20 -9.735 -27.363 16.983 140 HA2 GLY 20 HA2 GLY 20 -10.012 -24.656 17.329 141 HA3 GLY 20 HA1 GLY 20 -11.596 -25.324 17.715 142 H SER 21 HN SER 21 -11.663 -25.108 19.897 143 HA SER 21 HA SER 21 -9.435 -26.192 21.476 144 HB2 SER 21 HB2 SER 21 -11.873 -24.624 22.379 145 HB3 SER 21 HB1 SER 21 -10.495 -25.074 23.384 146 HG SER 21 HG SER 21 -10.000 -23.653 21.029 147 H MET 22 HN MET 22 -12.904 -26.134 22.151 148 HA MET 22 HA MET 22 -13.257 -28.996 21.924 149 HB2 MET 22 HB2 MET 22 -13.317 -27.623 24.638 150 HB3 MET 22 HB1 MET 22 -14.100 -29.166 24.333 151 HG2 MET 22 HG2 MET 22 -11.946 -30.176 23.813 152 HG3 MET 22 HG1 MET 22 -11.147 -28.623 24.060 153 HE1 MET 22 HE1 MET 22 -9.470 -29.848 25.727 154 HE2 MET 22 HE2 MET 22 -10.318 -31.384 25.554 155 HE3 MET 22 HE3 MET 22 -9.981 -30.738 27.161 156 H ASP 23 HN ASP 23 -14.267 -26.645 20.718 157 HA ASP 23 HA ASP 23 -16.864 -26.117 22.008 158 HB2 ASP 23 HB2 ASP 23 -16.675 -23.880 20.876 159 HB3 ASP 23 HB1 ASP 23 -15.426 -24.187 22.082 160 H ASP 24 HN ASP 24 -18.508 -25.225 20.480 161 HA ASP 24 HA ASP 24 -18.592 -26.731 17.966 162 HB2 ASP 24 HB2 ASP 24 -20.656 -25.746 19.915 163 HB3 ASP 24 HB1 ASP 24 -21.104 -26.035 18.249 164 H GLU 25 HN GLU 25 -17.333 -24.024 18.587 165 HA GLU 25 HA GLU 25 -19.053 -22.082 17.303 166 HB2 GLU 25 HB2 GLU 25 -16.155 -21.806 18.146 167 HB3 GLU 25 HB1 GLU 25 -17.265 -20.497 17.768 168 HG2 GLU 25 HG2 GLU 25 -17.569 -22.409 20.076 169 HG3 GLU 25 HG1 GLU 25 -16.887 -20.789 20.186 170 H LEU 26 HN LEU 26 -18.798 -23.987 15.474 171 HA LEU 26 HA LEU 26 -16.513 -23.678 13.795 172 HB2 LEU 26 HB2 LEU 26 -19.135 -25.105 13.450 173 HB3 LEU 26 HB1 LEU 26 -18.002 -24.957 12.122 174 HG LEU 26 HG LEU 26 -16.276 -26.069 13.599 175 HD11 LEU 26 HD11 LEU 26 -17.307 -25.680 15.764 176 HD12 LEU 26 HD12 LEU 26 -17.084 -27.406 15.484 177 HD13 LEU 26 HD13 LEU 26 -18.684 -26.683 15.310 178 HD21 LEU 26 HD21 LEU 26 -18.749 -27.626 12.856 179 HD22 LEU 26 HD22 LEU 26 -17.172 -28.329 13.221 180 HD23 LEU 26 HD23 LEU 26 -17.363 -27.277 11.821 181 H TYR 27 HN TYR 27 -16.221 -22.515 12.076 182 HA TYR 27 HA TYR 27 -18.340 -20.758 11.051 183 HB2 TYR 27 HB2 TYR 27 -15.474 -20.114 11.772 184 HB3 TYR 27 HB1 TYR 27 -16.327 -19.175 10.555 185 HD1 TYR 27 HD1 TYR 27 -17.027 -20.445 14.024 186 HD2 TYR 27 HD2 TYR 27 -17.182 -17.180 11.296 187 HE1 TYR 27 HE1 TYR 27 -17.959 -19.014 15.794 188 HE2 TYR 27 HE2 TYR 27 -18.112 -15.745 13.052 189 HH TYR 27 HH TYR 27 -18.275 -16.766 16.385 190 H PHE 28 HN PHE 28 -18.258 -20.377 8.847 191 HA PHE 28 HA PHE 28 -16.249 -21.862 7.287 192 HB2 PHE 28 HB2 PHE 28 -19.166 -21.616 6.969 193 HB3 PHE 28 HB1 PHE 28 -18.280 -21.240 5.495 194 HD1 PHE 28 HD2 PHE 28 -16.078 -23.064 5.462 195 HD2 PHE 28 HD1 PHE 28 -20.050 -23.718 6.779 196 HE1 PHE 28 HE2 PHE 28 -15.842 -25.463 5.013 197 HE2 PHE 28 HE1 PHE 28 -19.795 -26.141 6.337 198 HZ PHE 28 HZ PHE 28 -17.702 -26.994 5.429 199 H VAL 29 HN VAL 29 -15.518 -20.829 5.353 200 HA VAL 29 HA VAL 29 -15.409 -17.917 5.560 201 HB VAL 29 HB VAL 29 -14.143 -19.833 3.582 202 HG11 VAL 29 HG11 VAL 29 -14.539 -17.635 2.576 203 HG12 VAL 29 HG12 VAL 29 -12.820 -17.963 2.785 204 HG13 VAL 29 HG13 VAL 29 -13.652 -16.876 3.900 205 HG21 VAL 29 HG21 VAL 29 -12.034 -19.310 4.729 206 HG22 VAL 29 HG22 VAL 29 -13.203 -20.069 5.810 207 HG23 VAL 29 HG23 VAL 29 -12.924 -18.329 5.896 208 H VAL 30 HN VAL 30 -16.581 -16.565 4.175 209 HA VAL 30 HA VAL 30 -18.203 -17.866 2.099 210 HB VAL 30 HB VAL 30 -20.219 -16.685 2.783 211 HG11 VAL 30 HG11 VAL 30 -20.735 -17.927 4.831 212 HG12 VAL 30 HG12 VAL 30 -19.018 -18.257 5.067 213 HG13 VAL 30 HG13 VAL 30 -19.861 -18.930 3.670 214 HG21 VAL 30 HG21 VAL 30 -18.587 -15.688 5.125 215 HG22 VAL 30 HG22 VAL 30 -20.330 -15.490 4.941 216 HG23 VAL 30 HG23 VAL 30 -19.228 -14.713 3.804 217 H ARG 31 HN ARG 31 -19.104 -16.454 0.544 218 HA ARG 31 HA ARG 31 -18.625 -13.629 0.576 219 HB2 ARG 31 HB2 ARG 31 -17.022 -13.423 -1.219 220 HB3 ARG 31 HB1 ARG 31 -16.320 -14.437 0.034 221 HG2 ARG 31 HG2 ARG 31 -16.764 -16.424 -1.257 222 HG3 ARG 31 HG1 ARG 31 -17.624 -15.481 -2.475 223 HD2 ARG 31 HD2 ARG 31 -15.505 -14.230 -2.905 224 HD3 ARG 31 HD1 ARG 31 -14.684 -15.337 -1.802 225 HE ARG 31 HE ARG 31 -16.056 -16.823 -3.764 226 HH11 ARG 31 HH11 ARG 31 -13.277 -14.691 -3.482 227 HH12 ARG 31 HH12 ARG 31 -12.420 -15.436 -4.796 228 HH21 ARG 31 HH21 ARG 31 -14.911 -17.796 -5.496 229 HH22 ARG 31 HH22 ARG 31 -13.340 -17.188 -5.930 230 H ASN 32 HN ASN 32 -19.290 -12.609 -1.557 231 HA ASN 32 HA ASN 32 -20.354 -14.293 -3.611 232 HB2 ASN 32 HB2 ASN 32 -22.687 -13.664 -3.503 233 HB3 ASN 32 HB1 ASN 32 -22.226 -14.367 -1.962 234 HD21 ASN 32 HD21 ASN 32 -20.894 -12.018 -0.929 235 HD22 ASN 32 HD22 ASN 32 -22.126 -10.865 -0.580 236 H ASN 33 HN ASN 33 -20.453 -13.259 -5.524 237 HA ASN 33 HA ASN 33 -20.134 -11.682 -7.120 238 HB2 ASN 33 HB2 ASN 33 -22.465 -11.255 -6.316 239 HB3 ASN 33 HB1 ASN 33 -21.831 -9.970 -5.294 240 HD21 ASN 33 HD21 ASN 33 -21.220 -8.037 -6.217 241 HD22 ASN 33 HD22 ASN 33 -21.553 -7.630 -7.864 242 H GLU 34 HN GLU 34 -18.415 -11.345 -4.420 243 HA GLU 34 HA GLU 34 -17.472 -8.610 -4.980 244 HB2 GLU 34 HB2 GLU 34 -16.707 -8.573 -2.631 245 HB3 GLU 34 HB1 GLU 34 -18.440 -8.843 -2.765 246 HG2 GLU 34 HG2 GLU 34 -17.863 -11.345 -2.564 247 HG3 GLU 34 HG1 GLU 34 -16.290 -10.790 -1.993 248 H GLY 35 HN GLY 35 -16.508 -11.936 -4.523 249 HA2 GLY 35 HA2 GLY 35 -14.609 -12.999 -5.331 250 HA3 GLY 35 HA1 GLY 35 -13.964 -11.436 -5.805 251 H GLN 36 HN GLN 36 -14.473 -10.430 -2.985 252 HA GLN 36 HA GLN 36 -11.982 -11.359 -1.832 253 HB2 GLN 36 HB2 GLN 36 -12.363 -9.648 -0.117 254 HB3 GLN 36 HB1 GLN 36 -12.516 -8.973 -1.735 255 HG2 GLN 36 HG2 GLN 36 -14.953 -9.082 -1.548 256 HG3 GLN 36 HG1 GLN 36 -14.798 -9.755 0.074 257 HE21 GLN 36 HE21 GLN 36 -15.925 -8.047 0.997 258 HE22 GLN 36 HE22 GLN 36 -15.240 -6.465 1.158 259 H TYR 37 HN TYR 37 -12.171 -11.630 0.755 260 HA TYR 37 HA TYR 37 -14.126 -13.823 1.041 261 HB2 TYR 37 HB2 TYR 37 -11.231 -13.645 1.819 262 HB3 TYR 37 HB1 TYR 37 -12.315 -14.761 2.650 263 HD1 TYR 37 HD2 TYR 37 -13.840 -16.159 1.033 264 HD2 TYR 37 HD1 TYR 37 -10.081 -14.484 -0.044 265 HE1 TYR 37 HE2 TYR 37 -13.636 -17.805 -0.797 266 HE2 TYR 37 HE1 TYR 37 -9.863 -16.115 -1.873 267 HH TYR 37 HH TYR 37 -12.452 -18.043 -2.941 268 H SER 38 HN SER 38 -15.259 -14.076 2.852 269 HA SER 38 HA SER 38 -14.505 -12.546 5.222 270 HB2 SER 38 HB2 SER 38 -17.321 -12.755 4.107 271 HB3 SER 38 HB1 SER 38 -16.909 -12.055 5.673 272 HG SER 38 HG SER 38 -16.480 -11.058 3.098 273 H VAL 39 HN VAL 39 -16.100 -13.427 7.112 274 HA VAL 39 HA VAL 39 -16.211 -16.361 6.849 275 HB VAL 39 HB VAL 39 -15.578 -16.564 9.236 276 HG11 VAL 39 HG11 VAL 39 -13.511 -15.108 7.567 277 HG12 VAL 39 HG12 VAL 39 -13.920 -16.818 7.413 278 HG13 VAL 39 HG13 VAL 39 -13.196 -16.215 8.908 279 HG21 VAL 39 HG21 VAL 39 -16.235 -14.338 10.014 280 HG22 VAL 39 HG22 VAL 39 -14.955 -13.607 9.046 281 HG23 VAL 39 HG23 VAL 39 -14.545 -14.662 10.399 282 H TRP 40 HN TRP 40 -17.724 -17.416 8.259 283 HA TRP 40 HA TRP 40 -19.964 -15.821 9.247 284 HB2 TRP 40 HB2 TRP 40 -20.305 -16.132 6.791 285 HB3 TRP 40 HB1 TRP 40 -20.237 -17.870 7.024 286 HD1 TRP 40 HD1 TRP 40 -22.403 -19.057 8.027 287 HE1 TRP 40 HE1 TRP 40 -24.843 -18.284 8.229 288 HE3 TRP 40 HE3 TRP 40 -21.725 -14.039 7.299 289 HZ2 TRP 40 HZ2 TRP 40 -26.294 -15.865 8.104 290 HZ3 TRP 40 HZ3 TRP 40 -23.696 -12.563 7.353 291 HH2 TRP 40 HH2 TRP 40 -25.933 -13.460 7.748 292 H MET 41 HN MET 41 -21.354 -17.070 10.628 293 HA MET 41 HA MET 41 -19.937 -19.253 11.893 294 HB2 MET 41 HB2 MET 41 -21.112 -17.429 13.170 295 HB3 MET 41 HB1 MET 41 -22.639 -18.110 12.627 296 HG2 MET 41 HG2 MET 41 -22.163 -20.186 13.795 297 HG3 MET 41 HG1 MET 41 -20.582 -19.570 14.281 298 HE1 MET 41 HE1 MET 41 -22.454 -20.751 16.487 299 HE2 MET 41 HE2 MET 41 -22.337 -19.501 17.727 300 HE3 MET 41 HE3 MET 41 -20.904 -19.975 16.813 301 H ASP 42 HN ASP 42 -20.239 -21.328 11.445 302 HA ASP 42 HA ASP 42 -22.000 -22.200 9.429 303 HB2 ASP 42 HB2 ASP 42 -19.932 -23.392 9.882 304 HB3 ASP 42 HB1 ASP 42 -20.478 -23.792 11.506 305 H GLY 43 HN GLY 43 -23.819 -23.573 9.535 306 HA2 GLY 43 HA2 GLY 43 -25.658 -24.592 10.616 307 HA3 GLY 43 HA1 GLY 43 -25.212 -23.778 12.110 308 H ARG 44 HN ARG 44 -24.853 -21.239 10.502 309 HA ARG 44 HA ARG 44 -27.651 -20.407 10.624 310 HB2 ARG 44 HB2 ARG 44 -25.947 -19.068 11.811 311 HB3 ARG 44 HB1 ARG 44 -25.122 -18.768 10.287 312 HG2 ARG 44 HG2 ARG 44 -27.085 -17.558 9.461 313 HG3 ARG 44 HG1 ARG 44 -27.914 -17.859 10.990 314 HD2 ARG 44 HD2 ARG 44 -26.244 -16.571 12.187 315 HD3 ARG 44 HD1 ARG 44 -25.318 -16.342 10.701 316 HE ARG 44 HE ARG 44 -28.026 -15.391 10.525 317 HH11 ARG 44 HH11 ARG 44 -24.761 -14.549 11.491 318 HH12 ARG 44 HH12 ARG 44 -25.018 -12.842 11.314 319 HH21 ARG 44 HH21 ARG 44 -28.363 -13.156 10.288 320 HH22 ARG 44 HH22 ARG 44 -27.077 -12.047 10.652 321 H SER 45 HN SER 45 -28.836 -20.343 8.835 322 HA SER 45 HA SER 45 -27.876 -20.991 6.286 323 HB2 SER 45 HB2 SER 45 -30.478 -19.626 7.044 324 HB3 SER 45 HB1 SER 45 -30.148 -20.430 5.509 325 HG SER 45 HG SER 45 -30.293 -22.345 6.446 326 H LEU 46 HN LEU 46 -27.317 -19.841 4.540 327 HA LEU 46 HA LEU 46 -26.665 -17.038 4.936 328 HB2 LEU 46 HB2 LEU 46 -25.768 -19.212 3.087 329 HB3 LEU 46 HB1 LEU 46 -25.558 -17.547 2.590 330 HG LEU 46 HG LEU 46 -24.464 -18.629 5.187 331 HD11 LEU 46 HD11 LEU 46 -23.482 -19.838 3.287 332 HD12 LEU 46 HD12 LEU 46 -22.310 -18.789 4.081 333 HD13 LEU 46 HD13 LEU 46 -23.034 -18.300 2.547 334 HD21 LEU 46 HD21 LEU 46 -23.033 -16.632 5.062 335 HD22 LEU 46 HD22 LEU 46 -24.744 -16.212 5.122 336 HD23 LEU 46 HD23 LEU 46 -23.870 -16.130 3.591 337 HA PRO 47 HA PRO 47 -29.939 -15.451 2.301 338 HB2 PRO 47 HB2 PRO 47 -27.783 -13.586 1.427 339 HB3 PRO 47 HB1 PRO 47 -29.403 -13.226 2.030 340 HG2 PRO 47 HG2 PRO 47 -27.221 -12.870 3.553 341 HG3 PRO 47 HG1 PRO 47 -28.765 -13.405 4.241 342 HD2 PRO 47 HD2 PRO 47 -26.284 -14.975 3.712 343 HD3 PRO 47 HD1 PRO 47 -27.502 -15.172 4.986 344 H ALA 48 HN ALA 48 -30.527 -15.845 0.240 345 HA ALA 48 HA ALA 48 -29.170 -17.555 -1.439 346 HB1 ALA 48 HB1 ALA 48 -31.565 -17.073 -1.648 347 HB2 ALA 48 HB2 ALA 48 -30.738 -16.865 -3.192 348 HB3 ALA 48 HB3 ALA 48 -31.191 -15.452 -2.238 349 H GLY 49 HN GLY 49 -27.458 -17.345 -2.746 350 HA2 GLY 49 HA2 GLY 49 -26.331 -16.049 -4.499 351 HA3 GLY 49 HA1 GLY 49 -26.601 -14.618 -3.511 352 H TRP 50 HN TRP 50 -25.894 -16.096 -1.000 353 HA TRP 50 HA TRP 50 -23.057 -15.584 -1.163 354 HB2 TRP 50 HB2 TRP 50 -24.856 -16.507 1.080 355 HB3 TRP 50 HB1 TRP 50 -23.111 -16.358 1.273 356 HD1 TRP 50 HD1 TRP 50 -26.142 -14.120 0.342 357 HE1 TRP 50 HE1 TRP 50 -25.626 -11.726 1.128 358 HE3 TRP 50 HE3 TRP 50 -21.364 -14.825 2.039 359 HZ2 TRP 50 HZ2 TRP 50 -23.485 -10.321 2.310 360 HZ3 TRP 50 HZ3 TRP 50 -20.151 -12.900 2.982 361 HH2 TRP 50 HH2 TRP 50 -21.192 -10.694 3.113 362 H GLU 51 HN GLU 51 -21.360 -17.031 -0.745 363 HA GLU 51 HA GLU 51 -21.992 -19.888 -1.072 364 HB2 GLU 51 HB2 GLU 51 -20.196 -20.174 -2.641 365 HB3 GLU 51 HB1 GLU 51 -21.204 -18.856 -3.226 366 HG2 GLU 51 HG2 GLU 51 -19.585 -17.254 -2.236 367 HG3 GLU 51 HG1 GLU 51 -18.552 -18.615 -1.816 368 H THR 52 HN THR 52 -20.461 -21.322 -0.208 369 HA THR 52 HA THR 52 -18.938 -20.219 2.058 370 HB THR 52 HB THR 52 -19.180 -22.629 2.934 371 HG1 THR 52 HG1 THR 52 -20.228 -23.973 1.685 372 HG21 THR 52 HG21 THR 52 -20.469 -20.740 3.851 373 HG22 THR 52 HG22 THR 52 -21.425 -22.221 3.819 374 HG23 THR 52 HG23 THR 52 -21.692 -20.976 2.601 375 H VAL 53 HN VAL 53 -17.013 -21.429 2.715 376 HA VAL 53 HA VAL 53 -15.650 -23.185 0.915 377 HB VAL 53 HB VAL 53 -13.660 -21.342 0.808 378 HG11 VAL 53 HG11 VAL 53 -15.880 -21.623 -1.230 379 HG12 VAL 53 HG12 VAL 53 -14.464 -22.664 -1.083 380 HG13 VAL 53 HG13 VAL 53 -14.269 -20.973 -1.546 381 HG21 VAL 53 HG21 VAL 53 -14.520 -19.164 0.168 382 HG22 VAL 53 HG22 VAL 53 -15.053 -19.571 1.798 383 HG23 VAL 53 HG23 VAL 53 -16.177 -19.706 0.446 384 H GLY 54 HN GLY 54 -13.546 -23.824 1.720 385 HA2 GLY 54 HA2 GLY 54 -11.834 -23.963 3.305 386 HA3 GLY 54 HA1 GLY 54 -12.729 -22.874 4.352 387 H GLU 55 HN GLU 55 -11.956 -24.594 5.908 388 HA GLU 55 HA GLU 55 -13.791 -26.865 6.068 389 HB2 GLU 55 HB2 GLU 55 -11.727 -26.199 8.158 390 HB3 GLU 55 HB1 GLU 55 -12.368 -27.756 7.688 391 HG2 GLU 55 HG2 GLU 55 -10.178 -27.798 6.935 392 HG3 GLU 55 HG1 GLU 55 -11.119 -27.431 5.491 393 HA PRO 56 HA PRO 56 -16.160 -24.493 9.070 394 HB2 PRO 56 HB2 PRO 56 -17.589 -26.481 10.204 395 HB3 PRO 56 HB1 PRO 56 -17.966 -25.826 8.617 396 HG2 PRO 56 HG2 PRO 56 -16.494 -28.336 9.335 397 HG3 PRO 56 HG1 PRO 56 -17.708 -28.076 8.067 398 HD2 PRO 56 HD2 PRO 56 -15.038 -28.130 7.573 399 HD3 PRO 56 HD1 PRO 56 -16.166 -27.190 6.607 400 H ALA 57 HN ALA 57 -14.946 -23.735 10.641 401 HA ALA 57 HA ALA 57 -14.166 -25.344 12.921 402 HB1 ALA 57 HB1 ALA 57 -11.760 -24.988 12.713 403 HB2 ALA 57 HB2 ALA 57 -11.997 -24.166 11.171 404 HB3 ALA 57 HB3 ALA 57 -12.369 -25.883 11.321 405 H THR 58 HN THR 58 -12.696 -23.883 14.411 406 HA THR 58 HA THR 58 -14.346 -21.786 15.193 407 HB THR 58 HB THR 58 -12.762 -22.923 16.718 408 HG1 THR 58 HG1 THR 58 -13.161 -21.175 17.821 409 HG21 THR 58 HG21 THR 58 -10.652 -21.261 15.315 410 HG22 THR 58 HG22 THR 58 -10.780 -23.020 15.287 411 HG23 THR 58 HG23 THR 58 -10.405 -22.187 16.795 412 H LYS 59 HN LYS 59 -13.929 -19.509 15.342 413 HA LYS 59 HA LYS 59 -13.655 -18.265 12.905 414 HB2 LYS 59 HB2 LYS 59 -14.696 -17.265 14.921 415 HB3 LYS 59 HB1 LYS 59 -13.098 -17.049 15.623 416 HG2 LYS 59 HG2 LYS 59 -12.540 -15.572 13.663 417 HG3 LYS 59 HG1 LYS 59 -14.238 -15.674 13.192 418 HD2 LYS 59 HD2 LYS 59 -14.876 -14.740 15.382 419 HD3 LYS 59 HD1 LYS 59 -13.172 -14.605 15.811 420 HE2 LYS 59 HE2 LYS 59 -13.885 -12.450 15.097 421 HE3 LYS 59 HE1 LYS 59 -12.883 -13.112 13.808 422 HZ1 LYS 59 HZ1 LYS 59 -14.942 -13.742 12.647 423 HZ2 LYS 59 HZ2 LYS 59 -14.823 -12.078 12.886 424 HZ3 LYS 59 HZ3 LYS 59 -15.852 -12.997 13.862 425 H GLN 60 HN GLN 60 -11.205 -18.909 15.324 426 HA GLN 60 HA GLN 60 -9.070 -17.400 14.361 427 HB2 GLN 60 HB2 GLN 60 -8.940 -20.171 15.588 428 HB3 GLN 60 HB1 GLN 60 -7.627 -19.000 15.528 429 HG2 GLN 60 HG2 GLN 60 -8.794 -17.524 17.015 430 HG3 GLN 60 HG1 GLN 60 -10.233 -18.540 16.965 431 HE21 GLN 60 HE21 GLN 60 -6.993 -18.237 18.201 432 HE22 GLN 60 HE22 GLN 60 -7.110 -19.496 19.378 433 H GLN 61 HN GLN 61 -9.788 -20.829 13.683 434 HA GLN 61 HA GLN 61 -7.935 -21.306 11.687 435 HB2 GLN 61 HB2 GLN 61 -10.291 -22.560 12.777 436 HB3 GLN 61 HB1 GLN 61 -10.305 -22.722 11.030 437 HG2 GLN 61 HG2 GLN 61 -7.992 -23.476 12.776 438 HG3 GLN 61 HG1 GLN 61 -9.244 -24.603 12.250 439 HE21 GLN 61 HE21 GLN 61 -9.461 -25.001 9.989 440 HE22 GLN 61 HE22 GLN 61 -8.122 -24.821 8.916 441 H CYS 62 HN CYS 62 -11.289 -20.221 11.398 442 HA CYS 62 HA CYS 62 -11.478 -20.270 8.631 443 HB2 CYS 62 HB2 CYS 62 -13.300 -19.960 10.432 444 HB3 CYS 62 HB1 CYS 62 -12.919 -18.245 10.340 445 HG CYS 62 HG CYS 62 -14.160 -20.206 7.838 446 H LEU 63 HN LEU 63 -10.701 -17.443 10.718 447 HA LEU 63 HA LEU 63 -10.194 -15.754 8.491 448 HB2 LEU 63 HB2 LEU 63 -9.360 -14.111 10.047 449 HB3 LEU 63 HB1 LEU 63 -10.824 -14.833 10.679 450 HG LEU 63 HG LEU 63 -9.091 -16.342 12.034 451 HD11 LEU 63 HD11 LEU 63 -7.112 -15.062 12.700 452 HD12 LEU 63 HD12 LEU 63 -7.518 -13.809 11.524 453 HD13 LEU 63 HD13 LEU 63 -7.088 -15.429 10.976 454 HD21 LEU 63 HD21 LEU 63 -9.266 -14.769 13.891 455 HD22 LEU 63 HD22 LEU 63 -10.792 -14.890 13.018 456 HD23 LEU 63 HD23 LEU 63 -9.750 -13.487 12.778 457 H GLN 64 HN GLN 64 -8.082 -17.675 10.596 458 HA GLN 64 HA GLN 64 -5.615 -16.725 9.733 459 HB2 GLN 64 HB2 GLN 64 -5.952 -18.276 11.653 460 HB3 GLN 64 HB1 GLN 64 -6.274 -19.577 10.514 461 HG2 GLN 64 HG2 GLN 64 -3.972 -19.204 9.581 462 HG3 GLN 64 HG1 GLN 64 -3.682 -18.096 10.920 463 HE21 GLN 64 HE21 GLN 64 -4.100 -21.397 9.971 464 HE22 GLN 64 HE22 GLN 64 -3.573 -22.113 11.451 465 H ARG 65 HN ARG 65 -7.774 -19.075 8.292 466 HA ARG 65 HA ARG 65 -5.972 -20.169 6.422 467 HB2 ARG 65 HB2 ARG 65 -7.995 -21.349 6.940 468 HB3 ARG 65 HB1 ARG 65 -8.987 -19.985 6.440 469 HG2 ARG 65 HG2 ARG 65 -8.417 -20.309 4.145 470 HG3 ARG 65 HG1 ARG 65 -7.191 -21.506 4.558 471 HD2 ARG 65 HD2 ARG 65 -8.971 -22.989 5.418 472 HD3 ARG 65 HD1 ARG 65 -10.177 -21.793 4.936 473 HE ARG 65 HE ARG 65 -9.959 -22.497 2.769 474 HH11 ARG 65 HH11 ARG 65 -7.306 -23.802 4.637 475 HH12 ARG 65 HH12 ARG 65 -6.618 -24.662 3.304 476 HH21 ARG 65 HH21 ARG 65 -9.054 -23.636 0.994 477 HH22 ARG 65 HH22 ARG 65 -7.603 -24.553 1.218 478 H ILE 66 HN ILE 66 -8.450 -17.612 6.047 479 HA ILE 66 HA ILE 66 -7.743 -17.173 3.301 480 HB ILE 66 HB ILE 66 -9.268 -15.163 3.483 481 HG12 ILE 66 HG12 ILE 66 -9.801 -16.311 6.242 482 HG13 ILE 66 HG11 ILE 66 -8.992 -14.778 5.926 483 HG21 ILE 66 HG21 ILE 66 -10.369 -17.860 4.290 484 HG22 ILE 66 HG22 ILE 66 -10.026 -17.315 2.647 485 HG23 ILE 66 HG23 ILE 66 -11.298 -16.535 3.585 486 HD11 ILE 66 HD11 ILE 66 -11.287 -14.393 6.555 487 HD12 ILE 66 HD12 ILE 66 -11.853 -15.468 5.278 488 HD13 ILE 66 HD13 ILE 66 -11.059 -13.949 4.863 489 H GLU 67 HN GLU 67 -6.922 -15.631 6.345 490 HA GLU 67 HA GLU 67 -5.665 -13.335 5.258 491 HB2 GLU 67 HB2 GLU 67 -5.102 -14.714 7.887 492 HB3 GLU 67 HB1 GLU 67 -4.622 -13.078 7.448 493 HG2 GLU 67 HG2 GLU 67 -7.365 -14.142 8.012 494 HG3 GLU 67 HG1 GLU 67 -6.520 -12.805 8.776 495 H GLN 68 HN GLN 68 -4.573 -16.614 5.883 496 HA GLN 68 HA GLN 68 -1.859 -15.982 5.047 497 HB2 GLN 68 HB2 GLN 68 -3.164 -18.589 5.857 498 HB3 GLN 68 HB1 GLN 68 -1.489 -18.466 5.328 499 HG2 GLN 68 HG2 GLN 68 -1.050 -16.899 7.186 500 HG3 GLN 68 HG1 GLN 68 -2.709 -17.122 7.736 501 HE21 GLN 68 HE21 GLN 68 -0.184 -17.682 9.099 502 HE22 GLN 68 HE22 GLN 68 -0.234 -19.356 9.522 503 H LEU 69 HN LEU 69 -4.600 -16.223 3.357 504 HA LEU 69 HA LEU 69 -3.361 -17.671 1.111 505 HB2 LEU 69 HB2 LEU 69 -6.223 -16.946 1.707 506 HB3 LEU 69 HB1 LEU 69 -5.719 -17.397 0.089 507 HG LEU 69 HG LEU 69 -5.446 -19.162 2.531 508 HD11 LEU 69 HD11 LEU 69 -7.787 -18.838 1.947 509 HD12 LEU 69 HD12 LEU 69 -7.269 -20.472 1.533 510 HD13 LEU 69 HD13 LEU 69 -7.445 -19.254 0.268 511 HD21 LEU 69 HD21 LEU 69 -5.003 -19.747 -0.401 512 HD22 LEU 69 HD22 LEU 69 -4.920 -20.921 0.912 513 HD23 LEU 69 HD23 LEU 69 -3.747 -19.608 0.831 514 H TRP 70 HN TRP 70 -5.505 -14.843 1.476 515 HA TRP 70 HA TRP 70 -4.406 -13.702 -0.957 516 HB2 TRP 70 HB2 TRP 70 -6.870 -13.699 -0.446 517 HB3 TRP 70 HB1 TRP 70 -6.546 -12.542 0.843 518 HD1 TRP 70 HD1 TRP 70 -6.305 -12.837 -2.999 519 HE1 TRP 70 HE1 TRP 70 -6.461 -10.477 -4.005 520 HE3 TRP 70 HE3 TRP 70 -6.319 -10.104 1.329 521 HZ2 TRP 70 HZ2 TRP 70 -6.580 -7.815 -3.093 522 HZ3 TRP 70 HZ3 TRP 70 -6.458 -7.653 1.170 523 HH2 TRP 70 HH2 TRP 70 -6.585 -6.532 -0.997 524 H THR 71 HN THR 71 -4.823 -12.672 2.403 525 HA THR 71 HA THR 71 -3.377 -10.228 2.017 526 HB THR 71 HB THR 71 -4.070 -11.306 4.734 527 HG1 THR 71 HG1 THR 71 -6.186 -11.029 4.406 528 HG21 THR 71 HG21 THR 71 -4.277 -8.553 3.491 529 HG22 THR 71 HG22 THR 71 -2.951 -9.111 4.510 530 HG23 THR 71 HG23 THR 71 -4.574 -8.956 5.182 531 H ASP 72 HN ASP 72 -2.445 -13.370 2.523 532 HA ASP 72 HA ASP 72 -0.751 -13.665 4.570 533 HB2 ASP 72 HB2 ASP 72 -1.293 -15.345 2.841 534 HB3 ASP 72 HB1 ASP 72 -0.156 -14.562 1.758 535 H MET 73 HN MET 73 0.158 -12.027 1.532 536 HA MET 73 HA MET 73 2.928 -11.987 2.050 537 HB2 MET 73 HB2 MET 73 1.289 -10.168 0.271 538 HB3 MET 73 HB1 MET 73 3.047 -10.247 0.279 539 HG2 MET 73 HG2 MET 73 2.842 -12.687 -0.288 540 HG3 MET 73 HG1 MET 73 1.117 -12.413 -0.522 541 HE1 MET 73 HE1 MET 73 4.737 -11.605 -1.769 542 HE2 MET 73 HE2 MET 73 4.124 -9.995 -1.393 543 HE3 MET 73 HE3 MET 73 4.432 -10.455 -3.068 544 H VAL 74 HN VAL 74 3.215 -11.370 4.126 545 HA VAL 74 HA VAL 74 2.331 -8.757 5.043 546 HB VAL 74 HB VAL 74 1.879 -10.534 6.561 547 HG11 VAL 74 HG11 VAL 74 4.797 -11.290 6.384 548 HG12 VAL 74 HG12 VAL 74 3.427 -12.203 5.743 549 HG13 VAL 74 HG13 VAL 74 3.618 -12.010 7.486 550 HG21 VAL 74 HG21 VAL 74 2.597 -8.469 7.630 551 HG22 VAL 74 HG22 VAL 74 4.278 -9.005 7.584 552 HG23 VAL 74 HG23 VAL 74 3.102 -9.867 8.579 553 HA PRO 75 HA PRO 75 6.464 -7.064 4.453 554 HB2 PRO 75 HB2 PRO 75 5.609 -4.699 5.911 555 HB3 PRO 75 HB1 PRO 75 5.897 -4.882 4.180 556 HG2 PRO 75 HG2 PRO 75 3.420 -4.476 5.259 557 HG3 PRO 75 HG1 PRO 75 3.696 -5.330 3.731 558 HD2 PRO 75 HD2 PRO 75 3.176 -6.455 6.462 559 HD3 PRO 75 HD1 PRO 75 2.528 -6.962 4.886 560 H ALA 76 HN ALA 76 7.494 -5.164 6.314 561 HA ALA 76 HA ALA 76 8.920 -6.780 8.054 562 HB1 ALA 76 HB1 ALA 76 9.647 -4.714 9.143 563 HB2 ALA 76 HB2 ALA 76 8.340 -3.832 8.349 564 HB3 ALA 76 HB3 ALA 76 9.637 -4.545 7.387 565 H SER 77 HN SER 77 5.757 -5.482 8.461 566 HA SER 77 HA SER 77 5.425 -5.269 11.174 567 HB2 SER 77 HB2 SER 77 3.438 -6.419 9.197 568 HB3 SER 77 HB1 SER 77 3.051 -5.743 10.780 569 HG SER 77 HG SER 77 3.670 -3.737 10.076 570 H VAL 78 HN VAL 78 5.864 -8.202 9.329 571 HA VAL 78 HA VAL 78 4.831 -10.000 11.274 572 HB VAL 78 HB VAL 78 5.178 -10.666 8.922 573 HG11 VAL 78 HG11 VAL 78 7.409 -11.222 8.087 574 HG12 VAL 78 HG12 VAL 78 8.125 -10.600 9.574 575 HG13 VAL 78 HG13 VAL 78 7.279 -9.506 8.480 576 HG21 VAL 78 HG21 VAL 78 6.115 -12.899 9.366 577 HG22 VAL 78 HG22 VAL 78 4.978 -12.392 10.614 578 HG23 VAL 78 HG23 VAL 78 6.713 -12.326 10.925 579 H ARG 79 HN ARG 79 8.003 -8.572 10.710 580 HA ARG 79 HA ARG 79 9.506 -10.158 12.489 581 HB2 ARG 79 HB2 ARG 79 9.979 -7.275 11.676 582 HB3 ARG 79 HB1 ARG 79 11.172 -8.339 12.411 583 HG2 ARG 79 HG2 ARG 79 11.064 -9.806 10.447 584 HG3 ARG 79 HG1 ARG 79 9.879 -8.723 9.712 585 HD2 ARG 79 HD2 ARG 79 11.532 -6.904 9.741 586 HD3 ARG 79 HD1 ARG 79 12.719 -7.996 10.461 587 HE ARG 79 HE ARG 79 11.531 -8.760 7.901 588 HH11 ARG 79 HH11 ARG 79 14.300 -7.403 9.575 589 HH12 ARG 79 HH12 ARG 79 15.418 -7.812 8.311 590 HH21 ARG 79 HH21 ARG 79 12.988 -9.269 6.234 591 HH22 ARG 79 HH22 ARG 79 14.670 -8.886 6.409 592 H GLU 80 HN GLU 80 7.456 -7.394 12.938 593 HA GLU 80 HA GLU 80 8.317 -6.526 15.462 594 HB2 GLU 80 HB2 GLU 80 5.522 -6.394 14.302 595 HB3 GLU 80 HB1 GLU 80 6.150 -5.400 15.609 596 HG2 GLU 80 HG2 GLU 80 7.102 -5.385 12.748 597 HG3 GLU 80 HG1 GLU 80 6.092 -4.163 13.518 598 H HIS 81 HN HIS 81 6.125 -9.096 14.500 599 HA HIS 81 HA HIS 81 5.511 -9.633 17.338 600 HB2 HIS 81 HB2 HIS 81 3.593 -9.140 15.759 601 HB3 HIS 81 HB1 HIS 81 3.990 -10.635 14.918 602 HD1 HIS 81 HD1 HIS 81 1.810 -11.817 15.504 603 HD2 HIS 81 HD2 HIS 81 3.884 -10.464 18.843 604 HE1 HIS 81 HE1 HIS 81 0.666 -12.864 17.483 605 HE2 HIS 81 HE2 HIS 81 1.828 -11.889 19.491 606 H LEU 82 HN LEU 82 7.546 -10.631 14.980 607 HA LEU 82 HA LEU 82 7.226 -13.463 15.077 608 HB2 LEU 82 HB2 LEU 82 8.494 -11.830 13.373 609 HB3 LEU 82 HB1 LEU 82 9.863 -12.251 14.379 610 HG LEU 82 HG LEU 82 9.716 -13.670 12.378 611 HD11 LEU 82 HD11 LEU 82 9.948 -15.833 13.452 612 HD12 LEU 82 HD12 LEU 82 9.158 -15.225 14.907 613 HD13 LEU 82 HD13 LEU 82 10.729 -14.584 14.421 614 HD21 LEU 82 HD21 LEU 82 7.278 -13.616 12.104 615 HD22 LEU 82 HD22 LEU 82 7.091 -14.628 13.537 616 HD23 LEU 82 HD23 LEU 82 7.896 -15.267 12.103 617 H ASN 83 HN ASN 83 7.348 -14.366 17.044 618 HA ASN 83 HA ASN 83 8.979 -13.466 19.160 619 HB2 ASN 83 HB2 ASN 83 6.934 -14.730 19.579 620 HB3 ASN 83 HB1 ASN 83 7.609 -16.138 18.766 621 HD21 ASN 83 HD21 ASN 83 7.715 -14.156 21.625 622 HD22 ASN 83 HD22 ASN 83 8.612 -15.262 22.605 623 H GLN 84 HN GLN 84 9.219 -16.700 17.648 624 HA GLN 84 HA GLN 84 11.956 -16.920 18.494 625 HB2 GLN 84 HB2 GLN 84 10.473 -18.767 16.607 626 HB3 GLN 84 HB1 GLN 84 11.932 -19.126 17.524 627 HG2 GLN 84 HG2 GLN 84 10.527 -18.728 19.610 628 HG3 GLN 84 HG1 GLN 84 9.126 -18.784 18.543 629 HE21 GLN 84 HE21 GLN 84 11.642 -20.587 20.063 630 HE22 GLN 84 HE22 GLN 84 11.041 -22.159 19.669 631 H HIS 85 HN HIS 85 12.889 -15.155 17.463 632 HA HIS 85 HA HIS 85 12.733 -14.452 14.791 633 HB2 HIS 85 HB2 HIS 85 13.716 -13.062 16.599 634 HB3 HIS 85 HB1 HIS 85 15.120 -14.120 16.630 635 HD1 HIS 85 HD1 HIS 85 13.508 -11.403 14.629 636 HD2 HIS 85 HD2 HIS 85 16.949 -13.737 14.534 637 HE1 HIS 85 HE1 HIS 85 15.007 -10.335 12.915 638 HE2 HIS 85 HE2 HIS 85 16.997 -11.870 12.747 639 H SER 86 HN SER 86 14.652 -16.954 16.288 640 HA SER 86 HA SER 86 16.448 -17.418 14.143 641 HB2 SER 86 HB2 SER 86 16.836 -18.183 16.472 642 HB3 SER 86 HB1 SER 86 15.511 -19.331 16.303 643 HG SER 86 HG SER 86 17.887 -19.292 14.736 644 H GLY 87 HN GLY 87 13.236 -18.652 14.924 645 HA2 GLY 87 HA2 GLY 87 12.835 -19.595 12.240 646 HA3 GLY 87 HA1 GLY 87 13.032 -20.906 13.395 647 HA PRO 88 HA PRO 88 8.969 -18.172 14.093 648 HB2 PRO 88 HB2 PRO 88 7.520 -18.283 11.747 649 HB3 PRO 88 HB1 PRO 88 8.539 -16.924 12.228 650 HG2 PRO 88 HG2 PRO 88 9.164 -19.198 10.376 651 HG3 PRO 88 HG1 PRO 88 9.529 -17.471 10.190 652 HD2 PRO 88 HD2 PRO 88 11.410 -19.211 10.980 653 HD3 PRO 88 HD1 PRO 88 11.336 -17.568 11.655 654 H GLY 89 HN GLY 89 9.084 -20.926 11.829 655 HA2 GLY 89 HA2 GLY 89 7.979 -22.949 11.866 656 HA3 GLY 89 HA1 GLY 89 7.477 -22.591 13.515 657 H ILE 90 HN ILE 90 5.700 -21.033 13.771 658 HA ILE 90 HA ILE 90 3.778 -21.146 11.534 659 HB ILE 90 HB ILE 90 3.234 -20.640 14.478 660 HG12 ILE 90 HG12 ILE 90 3.872 -22.977 14.056 661 HG13 ILE 90 HG11 ILE 90 2.168 -22.858 14.480 662 HG21 ILE 90 HG21 ILE 90 0.861 -20.826 13.868 663 HG22 ILE 90 HG22 ILE 90 1.310 -20.968 12.168 664 HG23 ILE 90 HG23 ILE 90 1.642 -19.475 13.048 665 HD11 ILE 90 HD11 ILE 90 2.557 -24.452 12.678 666 HD12 ILE 90 HD12 ILE 90 3.256 -23.171 11.687 667 HD13 ILE 90 HD13 ILE 90 1.552 -23.106 12.142 668 H ASP 91 HN ASP 91 4.446 -19.385 10.387 669 HA ASP 91 HA ASP 91 5.288 -16.936 11.540 670 HB2 ASP 91 HB2 ASP 91 5.944 -17.788 9.273 671 HB3 ASP 91 HB1 ASP 91 4.320 -17.406 8.710 672 H TYR 92 HN TYR 92 4.241 -14.933 11.595 673 HA TYR 92 HA TYR 92 1.428 -15.247 12.252 674 HB2 TYR 92 HB2 TYR 92 3.284 -12.891 12.693 675 HB3 TYR 92 HB1 TYR 92 1.668 -13.080 13.371 676 HD1 TYR 92 HD2 TYR 92 1.249 -15.009 14.981 677 HD2 TYR 92 HD1 TYR 92 5.165 -13.831 13.784 678 HE1 TYR 92 HE2 TYR 92 2.197 -16.217 16.901 679 HE2 TYR 92 HE1 TYR 92 6.119 -15.043 15.699 680 HH TYR 92 HH TYR 92 4.484 -17.322 17.429 681 H ALA 93 HN ALA 93 0.071 -15.037 10.615 682 HA ALA 93 HA ALA 93 0.498 -13.495 8.286 683 HB1 ALA 93 HB1 ALA 93 -2.101 -14.556 9.403 684 HB2 ALA 93 HB2 ALA 93 -1.002 -15.431 8.337 685 HB3 ALA 93 HB3 ALA 93 -1.833 -13.990 7.753 686 H VAL 94 HN VAL 94 -1.359 -11.864 7.624 687 HA VAL 94 HA VAL 94 -1.598 -9.885 9.790 688 HB VAL 94 HB VAL 94 0.335 -9.309 8.513 689 HG11 VAL 94 HG11 VAL 94 0.271 -8.798 6.110 690 HG12 VAL 94 HG12 VAL 94 -1.417 -9.305 6.054 691 HG13 VAL 94 HG13 VAL 94 -0.156 -10.481 6.428 692 HG21 VAL 94 HG21 VAL 94 -1.949 -7.457 7.843 693 HG22 VAL 94 HG22 VAL 94 -0.240 -7.028 7.799 694 HG23 VAL 94 HG23 VAL 94 -1.004 -7.451 9.331 695 H ARG 95 HN ARG 95 -3.794 -10.728 9.812 696 HA ARG 95 HA ARG 95 -5.674 -10.278 7.796 697 HB2 ARG 95 HB2 ARG 95 -6.241 -11.555 9.838 698 HB3 ARG 95 HB1 ARG 95 -6.126 -10.078 10.794 699 HG2 ARG 95 HG2 ARG 95 -7.982 -9.107 9.530 700 HG3 ARG 95 HG1 ARG 95 -8.078 -10.565 8.548 701 HD2 ARG 95 HD2 ARG 95 -8.477 -11.815 10.743 702 HD3 ARG 95 HD1 ARG 95 -8.751 -10.224 11.461 703 HE ARG 95 HE ARG 95 -10.512 -11.676 9.731 704 HH11 ARG 95 HH11 ARG 95 -9.605 -8.436 10.740 705 HH12 ARG 95 HH12 ARG 95 -11.110 -7.737 10.247 706 HH21 ARG 95 HH21 ARG 95 -12.479 -10.749 9.096 707 HH22 ARG 95 HH22 ARG 95 -12.753 -9.054 9.336 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -2.722 1.483 3.383 2 H2 MET 1 HT2 MET 1 -1.332 0.612 2.972 3 H3 MET 1 HT3 MET 1 -2.854 -0.077 2.740 4 HA MET 1 HA MET 1 -3.388 1.593 1.086 5 HB2 MET 1 HB2 MET 1 -0.509 2.435 1.525 6 HB3 MET 1 HB1 MET 1 -1.544 3.022 0.233 7 HG2 MET 1 HG2 MET 1 -3.039 4.024 1.898 8 HG3 MET 1 HG1 MET 1 -1.981 3.442 3.183 9 HE1 MET 1 HE1 MET 1 -0.797 6.653 0.077 10 HE2 MET 1 HE2 MET 1 -2.397 5.919 0.178 11 HE3 MET 1 HE3 MET 1 -1.018 4.957 -0.354 12 H ALA 2 HN ALA 2 -2.141 1.647 -1.168 13 HA ALA 2 HA ALA 2 -1.313 0.510 -2.932 14 HB1 ALA 2 HB1 ALA 2 0.785 0.640 -1.652 15 HB2 ALA 2 HB2 ALA 2 0.691 -0.825 -2.628 16 HB3 ALA 2 HB3 ALA 2 0.403 -0.905 -0.890 17 H HIS 3 HN HIS 3 -3.586 -0.369 -2.827 18 HA HIS 3 HA HIS 3 -4.118 -3.000 -2.023 19 HB2 HIS 3 HB2 HIS 3 -6.025 -2.932 -3.586 20 HB3 HIS 3 HB1 HIS 3 -5.919 -1.458 -2.634 21 HD1 HIS 3 HD1 HIS 3 -7.245 -1.981 -5.578 22 HD2 HIS 3 HD2 HIS 3 -3.785 0.136 -4.660 23 HE1 HIS 3 HE1 HIS 3 -6.888 -0.398 -7.499 24 HE2 HIS 3 HE2 HIS 3 -4.879 0.969 -6.847 25 H HIS 4 HN HIS 4 -2.430 -4.339 -2.515 26 HA HIS 4 HA HIS 4 -1.365 -4.581 -5.175 27 HB2 HIS 4 HB2 HIS 4 -0.941 -6.285 -2.703 28 HB3 HIS 4 HB1 HIS 4 -0.045 -6.460 -4.207 29 HD1 HIS 4 HD1 HIS 4 0.334 -5.061 -1.003 30 HD2 HIS 4 HD2 HIS 4 1.241 -3.750 -4.841 31 HE1 HIS 4 HE1 HIS 4 2.080 -3.285 -0.711 32 HE2 HIS 4 HE2 HIS 4 2.732 -2.628 -3.052 33 H HIS 5 HN HIS 5 -2.551 -5.494 -6.716 34 HA HIS 5 HA HIS 5 -4.602 -7.406 -6.229 35 HB2 HIS 5 HB2 HIS 5 -4.666 -5.882 -8.167 36 HB3 HIS 5 HB1 HIS 5 -3.236 -6.664 -8.832 37 HD1 HIS 5 HD1 HIS 5 -6.912 -7.170 -8.321 38 HD2 HIS 5 HD2 HIS 5 -3.702 -9.118 -10.103 39 HE1 HIS 5 HE1 HIS 5 -7.924 -8.996 -9.715 40 HE2 HIS 5 HE2 HIS 5 -5.975 -10.069 -10.893 41 H HIS 6 HN HIS 6 -3.670 -9.111 -5.102 42 HA HIS 6 HA HIS 6 -2.225 -11.031 -6.777 43 HB2 HIS 6 HB2 HIS 6 -1.289 -10.086 -4.057 44 HB3 HIS 6 HB1 HIS 6 -0.769 -11.612 -4.761 45 HD1 HIS 6 HD1 HIS 6 0.959 -11.521 -6.649 46 HD2 HIS 6 HD2 HIS 6 -0.202 -7.778 -5.269 47 HE1 HIS 6 HE1 HIS 6 2.627 -9.898 -7.609 48 HE2 HIS 6 HE2 HIS 6 1.996 -7.666 -6.619 49 H HIS 7 HN HIS 7 -2.173 -13.219 -5.655 50 HA HIS 7 HA HIS 7 -4.031 -13.768 -3.560 51 HB2 HIS 7 HB2 HIS 7 -5.736 -14.948 -4.809 52 HB3 HIS 7 HB1 HIS 7 -5.606 -13.324 -5.473 53 HD1 HIS 7 HD1 HIS 7 -4.396 -13.123 -7.844 54 HD2 HIS 7 HD2 HIS 7 -5.263 -16.997 -6.601 55 HE1 HIS 7 HE1 HIS 7 -4.178 -14.558 -9.894 56 HE2 HIS 7 HE2 HIS 7 -4.542 -16.911 -9.081 57 H HIS 8 HN HIS 8 -4.232 -16.152 -3.213 58 HA HIS 8 HA HIS 8 -1.923 -17.611 -4.319 59 HB2 HIS 8 HB2 HIS 8 -3.424 -17.895 -1.719 60 HB3 HIS 8 HB1 HIS 8 -2.439 -19.211 -2.349 61 HD1 HIS 8 HD1 HIS 8 0.155 -18.690 -2.614 62 HD2 HIS 8 HD2 HIS 8 -2.030 -15.924 -0.408 63 HE1 HIS 8 HE1 HIS 8 1.855 -17.353 -1.331 64 HE2 HIS 8 HE2 HIS 8 0.502 -15.789 0.104 65 H MET 9 HN MET 9 -2.316 -20.021 -4.511 66 HA MET 9 HA MET 9 -5.022 -20.881 -5.026 67 HB2 MET 9 HB2 MET 9 -4.621 -21.471 -7.395 68 HB3 MET 9 HB1 MET 9 -4.559 -19.734 -7.132 69 HG2 MET 9 HG2 MET 9 -2.110 -19.827 -7.133 70 HG3 MET 9 HG1 MET 9 -2.183 -21.565 -7.419 71 HE1 MET 9 HE1 MET 9 -0.511 -21.077 -9.486 72 HE2 MET 9 HE2 MET 9 -0.606 -19.335 -9.222 73 HE3 MET 9 HE3 MET 9 -0.914 -20.001 -10.826 74 H GLY 10 HN GLY 10 -5.062 -23.195 -5.695 75 HA2 GLY 10 HA2 GLY 10 -3.005 -24.953 -5.920 76 HA3 GLY 10 HA1 GLY 10 -3.095 -24.675 -4.184 77 H THR 11 HN THR 11 -5.267 -24.972 -3.198 78 HA THR 11 HA THR 11 -7.212 -26.580 -4.546 79 HB THR 11 HB THR 11 -5.476 -28.301 -4.092 80 HG1 THR 11 HG1 THR 11 -6.913 -29.748 -3.012 81 HG21 THR 11 HG21 THR 11 -5.983 -27.656 -1.179 82 HG22 THR 11 HG22 THR 11 -4.498 -27.307 -2.066 83 HG23 THR 11 HG23 THR 11 -4.990 -28.979 -1.790 84 H LEU 12 HN LEU 12 -9.053 -27.061 -3.110 85 HA LEU 12 HA LEU 12 -9.388 -24.905 -1.200 86 HB2 LEU 12 HB2 LEU 12 -11.181 -25.455 -2.807 87 HB3 LEU 12 HB1 LEU 12 -11.341 -27.045 -2.078 88 HG LEU 12 HG LEU 12 -12.054 -25.986 0.045 89 HD11 LEU 12 HD11 LEU 12 -12.650 -23.597 0.062 90 HD12 LEU 12 HD12 LEU 12 -11.929 -23.417 -1.537 91 HD13 LEU 12 HD13 LEU 12 -10.919 -23.852 -0.157 92 HD21 LEU 12 HD21 LEU 12 -14.275 -25.283 -0.714 93 HD22 LEU 12 HD22 LEU 12 -13.731 -26.731 -1.560 94 HD23 LEU 12 HD23 LEU 12 -13.675 -25.164 -2.369 95 H GLU 13 HN GLU 13 -10.823 -28.083 -0.664 96 HA GLU 13 HA GLU 13 -9.218 -28.423 1.762 97 HB2 GLU 13 HB2 GLU 13 -12.246 -28.324 1.694 98 HB3 GLU 13 HB1 GLU 13 -11.309 -28.906 3.063 99 HG2 GLU 13 HG2 GLU 13 -11.304 -26.107 1.942 100 HG3 GLU 13 HG1 GLU 13 -12.038 -26.639 3.452 101 H ALA 14 HN ALA 14 -9.895 -30.524 2.864 102 HA ALA 14 HA ALA 14 -10.842 -32.613 1.062 103 HB1 ALA 14 HB1 ALA 14 -8.418 -32.532 0.645 104 HB2 ALA 14 HB2 ALA 14 -8.878 -34.029 1.458 105 HB3 ALA 14 HB3 ALA 14 -8.114 -32.727 2.370 106 H GLN 15 HN GLN 15 -10.716 -34.763 2.366 107 HA GLN 15 HA GLN 15 -12.399 -34.311 4.638 108 HB2 GLN 15 HB2 GLN 15 -11.287 -36.864 3.460 109 HB3 GLN 15 HB1 GLN 15 -12.479 -36.795 4.748 110 HG2 GLN 15 HG2 GLN 15 -13.514 -37.251 2.590 111 HG3 GLN 15 HG1 GLN 15 -14.073 -35.722 3.249 112 HE21 GLN 15 HE21 GLN 15 -12.108 -37.257 0.805 113 HE22 GLN 15 HE22 GLN 15 -12.002 -35.885 -0.244 114 H THR 16 HN THR 16 -9.059 -35.035 4.112 115 HA THR 16 HA THR 16 -8.505 -35.876 6.804 116 HB THR 16 HB THR 16 -6.477 -34.845 4.804 117 HG1 THR 16 HG1 THR 16 -7.264 -37.564 5.023 118 HG21 THR 16 HG21 THR 16 -4.981 -36.426 5.938 119 HG22 THR 16 HG22 THR 16 -6.296 -36.920 7.006 120 HG23 THR 16 HG23 THR 16 -5.658 -35.277 7.090 121 H GLN 17 HN GLN 17 -9.883 -33.810 7.368 122 HA GLN 17 HA GLN 17 -8.451 -31.319 7.400 123 HB2 GLN 17 HB2 GLN 17 -10.976 -31.532 7.434 124 HB3 GLN 17 HB1 GLN 17 -10.842 -32.085 9.098 125 HG2 GLN 17 HG2 GLN 17 -9.640 -29.917 9.596 126 HG3 GLN 17 HG1 GLN 17 -10.122 -29.380 7.989 127 HE21 GLN 17 HE21 GLN 17 -10.806 -28.225 10.508 128 HE22 GLN 17 HE22 GLN 17 -12.530 -28.274 10.643 129 H GLY 18 HN GLY 18 -9.427 -33.631 9.916 130 HA2 GLY 18 HA2 GLY 18 -7.053 -33.814 11.300 131 HA3 GLY 18 HA1 GLY 18 -7.889 -32.425 11.990 132 HA PRO 19 HA PRO 19 -9.339 -36.483 13.997 133 HB2 PRO 19 HB2 PRO 19 -8.738 -34.945 16.464 134 HB3 PRO 19 HB1 PRO 19 -8.332 -36.614 16.053 135 HG2 PRO 19 HG2 PRO 19 -6.460 -34.696 16.091 136 HG3 PRO 19 HG1 PRO 19 -6.421 -36.008 14.898 137 HD2 PRO 19 HD2 PRO 19 -7.303 -33.164 14.559 138 HD3 PRO 19 HD1 PRO 19 -6.380 -34.198 13.448 139 H GLY 20 HN GLY 20 -9.732 -33.383 15.707 140 HA2 GLY 20 HA2 GLY 20 -12.212 -32.574 15.005 141 HA3 GLY 20 HA1 GLY 20 -12.544 -33.877 16.140 142 H SER 21 HN SER 21 -13.564 -32.117 17.364 143 HA SER 21 HA SER 21 -12.005 -31.316 19.544 144 HB2 SER 21 HB2 SER 21 -11.013 -29.664 18.022 145 HB3 SER 21 HB1 SER 21 -12.615 -29.076 17.580 146 HG SER 21 HG SER 21 -11.293 -28.871 20.082 147 H MET 22 HN MET 22 -14.597 -29.733 17.678 148 HA MET 22 HA MET 22 -16.733 -29.166 18.183 149 HB2 MET 22 HB2 MET 22 -16.538 -31.735 19.779 150 HB3 MET 22 HB1 MET 22 -18.043 -30.868 19.497 151 HG2 MET 22 HG2 MET 22 -17.775 -32.749 17.968 152 HG3 MET 22 HG1 MET 22 -17.834 -31.214 17.105 153 HE1 MET 22 HE1 MET 22 -16.853 -33.930 15.776 154 HE2 MET 22 HE2 MET 22 -15.416 -33.393 14.904 155 HE3 MET 22 HE3 MET 22 -16.871 -32.396 14.909 156 H ASP 23 HN ASP 23 -14.437 -28.374 20.009 157 HA ASP 23 HA ASP 23 -15.581 -27.993 22.609 158 HB2 ASP 23 HB2 ASP 23 -13.175 -28.065 22.431 159 HB3 ASP 23 HB1 ASP 23 -13.171 -26.776 21.232 160 H ASP 24 HN ASP 24 -14.483 -25.537 20.305 161 HA ASP 24 HA ASP 24 -16.513 -23.686 21.260 162 HB2 ASP 24 HB2 ASP 24 -14.047 -23.099 20.807 163 HB3 ASP 24 HB1 ASP 24 -14.453 -23.182 19.098 164 H GLU 25 HN GLU 25 -17.488 -22.289 19.345 165 HA GLU 25 HA GLU 25 -19.117 -24.094 17.827 166 HB2 GLU 25 HB2 GLU 25 -18.977 -21.074 17.651 167 HB3 GLU 25 HB1 GLU 25 -20.283 -22.101 17.067 168 HG2 GLU 25 HG2 GLU 25 -19.484 -21.642 19.938 169 HG3 GLU 25 HG1 GLU 25 -20.933 -21.047 19.133 170 H LEU 26 HN LEU 26 -19.185 -24.357 15.581 171 HA LEU 26 HA LEU 26 -16.636 -23.872 14.281 172 HB2 LEU 26 HB2 LEU 26 -19.045 -25.482 13.443 173 HB3 LEU 26 HB1 LEU 26 -17.656 -25.232 12.402 174 HG LEU 26 HG LEU 26 -17.331 -27.345 13.346 175 HD11 LEU 26 HD11 LEU 26 -15.707 -25.413 14.979 176 HD12 LEU 26 HD12 LEU 26 -15.313 -26.050 13.380 177 HD13 LEU 26 HD13 LEU 26 -15.355 -27.130 14.773 178 HD21 LEU 26 HD21 LEU 26 -17.942 -26.196 16.074 179 HD22 LEU 26 HD22 LEU 26 -17.513 -27.871 15.722 180 HD23 LEU 26 HD23 LEU 26 -19.027 -27.204 15.114 181 H TYR 27 HN TYR 27 -16.294 -22.720 12.517 182 HA TYR 27 HA TYR 27 -18.482 -21.134 11.353 183 HB2 TYR 27 HB2 TYR 27 -15.730 -20.270 12.236 184 HB3 TYR 27 HB1 TYR 27 -16.530 -19.434 10.914 185 HD1 TYR 27 HD1 TYR 27 -17.500 -20.633 14.350 186 HD2 TYR 27 HD2 TYR 27 -17.512 -17.455 11.511 187 HE1 TYR 27 HE1 TYR 27 -18.668 -19.196 15.968 188 HE2 TYR 27 HE2 TYR 27 -18.675 -16.015 13.119 189 HH TYR 27 HH TYR 27 -20.041 -16.165 15.088 190 H PHE 28 HN PHE 28 -18.356 -20.832 9.145 191 HA PHE 28 HA PHE 28 -16.204 -22.246 7.717 192 HB2 PHE 28 HB2 PHE 28 -19.092 -22.292 7.358 193 HB3 PHE 28 HB1 PHE 28 -18.298 -21.736 5.888 194 HD1 PHE 28 HD1 PHE 28 -15.826 -23.256 5.866 195 HD2 PHE 28 HD2 PHE 28 -19.750 -24.486 6.935 196 HE1 PHE 28 HE1 PHE 28 -15.264 -25.574 5.299 197 HE2 PHE 28 HE2 PHE 28 -19.154 -26.822 6.373 198 HZ PHE 28 HZ PHE 28 -16.930 -27.349 5.533 199 H VAL 29 HN VAL 29 -15.621 -21.265 5.626 200 HA VAL 29 HA VAL 29 -15.405 -18.364 5.889 201 HB VAL 29 HB VAL 29 -14.182 -20.330 3.937 202 HG11 VAL 29 HG11 VAL 29 -13.673 -17.370 4.212 203 HG12 VAL 29 HG12 VAL 29 -14.433 -18.183 2.842 204 HG13 VAL 29 HG13 VAL 29 -12.734 -18.480 3.211 205 HG21 VAL 29 HG21 VAL 29 -12.961 -18.849 6.266 206 HG22 VAL 29 HG22 VAL 29 -12.088 -19.896 5.148 207 HG23 VAL 29 HG23 VAL 29 -13.328 -20.573 6.205 208 H VAL 30 HN VAL 30 -16.367 -16.933 4.387 209 HA VAL 30 HA VAL 30 -18.017 -18.069 2.255 210 HB VAL 30 HB VAL 30 -20.031 -16.886 2.931 211 HG11 VAL 30 HG11 VAL 30 -20.653 -18.184 4.917 212 HG12 VAL 30 HG12 VAL 30 -18.958 -18.570 5.202 213 HG13 VAL 30 HG13 VAL 30 -19.765 -19.170 3.754 214 HG21 VAL 30 HG21 VAL 30 -19.036 -14.977 4.050 215 HG22 VAL 30 HG22 VAL 30 -18.464 -16.007 5.362 216 HG23 VAL 30 HG23 VAL 30 -20.195 -15.763 5.122 217 H ARG 31 HN ARG 31 -18.757 -16.505 0.713 218 HA ARG 31 HA ARG 31 -18.251 -13.714 1.064 219 HB2 ARG 31 HB2 ARG 31 -16.571 -13.399 -0.729 220 HB3 ARG 31 HB1 ARG 31 -15.933 -14.253 0.668 221 HG2 ARG 31 HG2 ARG 31 -15.815 -16.289 -0.478 222 HG3 ARG 31 HG1 ARG 31 -16.922 -15.746 -1.740 223 HD2 ARG 31 HD2 ARG 31 -15.279 -14.312 -2.691 224 HD3 ARG 31 HD1 ARG 31 -14.217 -14.488 -1.297 225 HE ARG 31 HE ARG 31 -13.301 -16.258 -2.364 226 HH11 ARG 31 HH11 ARG 31 -16.592 -15.972 -3.532 227 HH12 ARG 31 HH12 ARG 31 -16.498 -17.396 -4.513 228 HH21 ARG 31 HH21 ARG 31 -13.174 -18.113 -3.652 229 HH22 ARG 31 HH22 ARG 31 -14.548 -18.606 -4.597 230 H ASN 32 HN ASN 32 -18.648 -12.445 -1.000 231 HA ASN 32 HA ASN 32 -19.762 -13.905 -3.233 232 HB2 ASN 32 HB2 ASN 32 -21.962 -12.879 -3.213 233 HB3 ASN 32 HB1 ASN 32 -21.720 -13.741 -1.701 234 HD21 ASN 32 HD21 ASN 32 -20.161 -11.806 -0.340 235 HD22 ASN 32 HD22 ASN 32 -21.172 -10.445 -0.026 236 H ASN 33 HN ASN 33 -19.588 -12.818 -5.081 237 HA ASN 33 HA ASN 33 -18.657 -11.322 -6.544 238 HB2 ASN 33 HB2 ASN 33 -21.116 -10.852 -6.296 239 HB3 ASN 33 HB1 ASN 33 -20.695 -9.511 -5.238 240 HD21 ASN 33 HD21 ASN 33 -19.964 -7.613 -6.138 241 HD22 ASN 33 HD22 ASN 33 -19.869 -7.334 -7.842 242 H GLU 34 HN GLU 34 -17.244 -11.160 -3.855 243 HA GLU 34 HA GLU 34 -16.419 -8.326 -3.954 244 HB2 GLU 34 HB2 GLU 34 -15.730 -8.595 -1.592 245 HB3 GLU 34 HB1 GLU 34 -17.448 -8.880 -1.835 246 HG2 GLU 34 HG2 GLU 34 -16.897 -11.350 -1.903 247 HG3 GLU 34 HG1 GLU 34 -15.286 -10.910 -1.338 248 H GLY 35 HN GLY 35 -15.325 -11.630 -3.994 249 HA2 GLY 35 HA2 GLY 35 -13.298 -12.494 -4.719 250 HA3 GLY 35 HA1 GLY 35 -12.687 -10.856 -4.907 251 H GLN 36 HN GLN 36 -13.586 -10.282 -2.083 252 HA GLN 36 HA GLN 36 -11.217 -11.213 -0.706 253 HB2 GLN 36 HB2 GLN 36 -12.056 -8.873 -0.491 254 HB3 GLN 36 HB1 GLN 36 -13.516 -9.487 0.272 255 HG2 GLN 36 HG2 GLN 36 -12.150 -10.374 2.124 256 HG3 GLN 36 HG1 GLN 36 -10.708 -9.712 1.355 257 HE21 GLN 36 HE21 GLN 36 -10.241 -8.368 3.090 258 HE22 GLN 36 HE22 GLN 36 -11.178 -6.964 3.459 259 H TYR 37 HN TYR 37 -11.459 -12.211 1.498 260 HA TYR 37 HA TYR 37 -13.680 -14.136 1.449 261 HB2 TYR 37 HB2 TYR 37 -10.835 -14.355 2.349 262 HB3 TYR 37 HB1 TYR 37 -12.048 -15.365 3.131 263 HD1 TYR 37 HD2 TYR 37 -13.734 -16.493 1.408 264 HD2 TYR 37 HD1 TYR 37 -9.753 -15.298 0.508 265 HE1 TYR 37 HE2 TYR 37 -13.688 -18.072 -0.482 266 HE2 TYR 37 HE1 TYR 37 -9.697 -16.870 -1.388 267 HH TYR 37 HH TYR 37 -10.815 -18.860 -2.184 268 H SER 38 HN SER 38 -15.015 -14.387 3.085 269 HA SER 38 HA SER 38 -14.549 -12.872 5.556 270 HB2 SER 38 HB2 SER 38 -17.214 -13.338 4.176 271 HB3 SER 38 HB1 SER 38 -16.975 -12.457 5.686 272 HG SER 38 HG SER 38 -16.162 -11.741 3.070 273 H VAL 39 HN VAL 39 -16.336 -13.805 7.245 274 HA VAL 39 HA VAL 39 -16.310 -16.739 7.072 275 HB VAL 39 HB VAL 39 -15.811 -16.829 9.539 276 HG11 VAL 39 HG11 VAL 39 -13.634 -15.618 7.819 277 HG12 VAL 39 HG12 VAL 39 -14.123 -17.313 7.789 278 HG13 VAL 39 HG13 VAL 39 -13.405 -16.626 9.248 279 HG21 VAL 39 HG21 VAL 39 -14.721 -14.891 10.574 280 HG22 VAL 39 HG22 VAL 39 -16.373 -14.504 10.091 281 HG23 VAL 39 HG23 VAL 39 -15.012 -13.939 9.119 282 H TRP 40 HN TRP 40 -17.824 -17.774 8.539 283 HA TRP 40 HA TRP 40 -20.155 -16.250 9.374 284 HB2 TRP 40 HB2 TRP 40 -20.333 -16.425 6.893 285 HB3 TRP 40 HB1 TRP 40 -20.241 -18.170 7.024 286 HD1 TRP 40 HD1 TRP 40 -22.467 -19.456 7.434 287 HE1 TRP 40 HE1 TRP 40 -24.930 -18.736 7.565 288 HE3 TRP 40 HE3 TRP 40 -21.816 -14.400 7.869 289 HZ2 TRP 40 HZ2 TRP 40 -26.402 -16.354 7.830 290 HZ3 TRP 40 HZ3 TRP 40 -23.809 -12.970 8.065 291 HH2 TRP 40 HH2 TRP 40 -26.056 -13.927 8.048 292 H MET 41 HN MET 41 -21.600 -17.605 10.632 293 HA MET 41 HA MET 41 -20.215 -19.749 11.916 294 HB2 MET 41 HB2 MET 41 -21.837 -18.210 13.062 295 HB3 MET 41 HB1 MET 41 -23.141 -19.034 12.218 296 HG2 MET 41 HG2 MET 41 -22.619 -21.108 13.329 297 HG3 MET 41 HG1 MET 41 -21.193 -20.387 14.078 298 HE1 MET 41 HE1 MET 41 -23.290 -21.960 15.800 299 HE2 MET 41 HE2 MET 41 -23.484 -20.873 17.174 300 HE3 MET 41 HE3 MET 41 -21.885 -21.133 16.479 301 H ASP 42 HN ASP 42 -20.314 -21.879 11.588 302 HA ASP 42 HA ASP 42 -21.161 -22.949 9.164 303 HB2 ASP 42 HB2 ASP 42 -19.451 -24.072 10.400 304 HB3 ASP 42 HB1 ASP 42 -20.494 -24.260 11.806 305 H GLY 43 HN GLY 43 -22.911 -24.148 8.499 306 HA2 GLY 43 HA2 GLY 43 -24.926 -25.293 8.649 307 HA3 GLY 43 HA1 GLY 43 -24.979 -24.943 10.367 308 H ARG 44 HN ARG 44 -24.476 -22.005 9.546 309 HA ARG 44 HA ARG 44 -27.276 -21.314 9.595 310 HB2 ARG 44 HB2 ARG 44 -25.494 -20.160 10.944 311 HB3 ARG 44 HB1 ARG 44 -24.871 -19.483 9.447 312 HG2 ARG 44 HG2 ARG 44 -26.951 -18.272 9.097 313 HG3 ARG 44 HG1 ARG 44 -27.638 -19.000 10.551 314 HD2 ARG 44 HD2 ARG 44 -25.837 -17.950 11.885 315 HD3 ARG 44 HD1 ARG 44 -25.242 -17.169 10.420 316 HE ARG 44 HE ARG 44 -28.016 -16.645 11.122 317 HH11 ARG 44 HH11 ARG 44 -24.692 -15.560 11.214 318 HH12 ARG 44 HH12 ARG 44 -25.104 -13.911 11.561 319 HH21 ARG 44 HH21 ARG 44 -28.563 -14.458 11.594 320 HH22 ARG 44 HH22 ARG 44 -27.296 -13.287 11.778 321 H SER 45 HN SER 45 -28.498 -20.596 7.918 322 HA SER 45 HA SER 45 -27.601 -21.016 5.263 323 HB2 SER 45 HB2 SER 45 -30.095 -19.615 6.269 324 HB3 SER 45 HB1 SER 45 -29.820 -20.122 4.601 325 HG SER 45 HG SER 45 -29.508 -22.057 6.580 326 H LEU 46 HN LEU 46 -27.291 -19.617 3.579 327 HA LEU 46 HA LEU 46 -26.536 -16.870 4.318 328 HB2 LEU 46 HB2 LEU 46 -25.458 -18.840 2.333 329 HB3 LEU 46 HB1 LEU 46 -25.205 -17.127 2.091 330 HG LEU 46 HG LEU 46 -24.329 -18.646 4.550 331 HD11 LEU 46 HD11 LEU 46 -22.706 -17.693 2.194 332 HD12 LEU 46 HD12 LEU 46 -23.108 -19.371 2.560 333 HD13 LEU 46 HD13 LEU 46 -22.081 -18.451 3.656 334 HD21 LEU 46 HD21 LEU 46 -23.016 -16.616 5.012 335 HD22 LEU 46 HD22 LEU 46 -24.750 -16.291 4.995 336 HD23 LEU 46 HD23 LEU 46 -23.753 -15.831 3.613 337 HA PRO 47 HA PRO 47 -29.606 -15.430 1.458 338 HB2 PRO 47 HB2 PRO 47 -28.850 -12.856 1.243 339 HB3 PRO 47 HB1 PRO 47 -29.521 -13.511 2.740 340 HG2 PRO 47 HG2 PRO 47 -26.675 -12.938 2.033 341 HG3 PRO 47 HG1 PRO 47 -27.519 -12.703 3.573 342 HD2 PRO 47 HD2 PRO 47 -25.869 -14.852 2.971 343 HD3 PRO 47 HD1 PRO 47 -27.103 -14.849 4.247 344 H ALA 48 HN ALA 48 -29.724 -14.018 -0.566 345 HA ALA 48 HA ALA 48 -28.690 -15.413 -2.678 346 HB1 ALA 48 HB1 ALA 48 -30.612 -13.897 -2.816 347 HB2 ALA 48 HB2 ALA 48 -29.441 -13.587 -4.098 348 HB3 ALA 48 HB3 ALA 48 -29.527 -12.513 -2.702 349 H GLY 49 HN GLY 49 -26.784 -15.577 -3.600 350 HA2 GLY 49 HA2 GLY 49 -24.938 -14.631 -4.749 351 HA3 GLY 49 HA1 GLY 49 -24.989 -13.255 -3.660 352 H TRP 50 HN TRP 50 -25.243 -15.054 -1.272 353 HA TRP 50 HA TRP 50 -22.389 -15.106 -0.844 354 HB2 TRP 50 HB2 TRP 50 -24.728 -15.736 0.957 355 HB3 TRP 50 HB1 TRP 50 -23.054 -15.837 1.486 356 HD1 TRP 50 HD1 TRP 50 -25.376 -13.158 -0.107 357 HE1 TRP 50 HE1 TRP 50 -24.762 -10.874 0.902 358 HE3 TRP 50 HE3 TRP 50 -21.483 -14.616 2.864 359 HZ2 TRP 50 HZ2 TRP 50 -22.875 -9.828 2.735 360 HZ3 TRP 50 HZ3 TRP 50 -20.323 -12.916 4.216 361 HH2 TRP 50 HH2 TRP 50 -21.007 -10.570 4.150 362 H GLU 51 HN GLU 51 -21.041 -16.775 -0.745 363 HA GLU 51 HA GLU 51 -22.125 -19.510 -0.947 364 HB2 GLU 51 HB2 GLU 51 -20.333 -20.062 -2.525 365 HB3 GLU 51 HB1 GLU 51 -21.331 -18.756 -3.150 366 HG2 GLU 51 HG2 GLU 51 -19.560 -17.186 -2.178 367 HG3 GLU 51 HG1 GLU 51 -18.548 -18.618 -2.038 368 H THR 52 HN THR 52 -20.750 -21.167 -0.145 369 HA THR 52 HA THR 52 -19.143 -20.271 2.148 370 HB THR 52 HB THR 52 -19.527 -22.602 3.019 371 HG1 THR 52 HG1 THR 52 -20.389 -24.008 1.706 372 HG21 THR 52 HG21 THR 52 -22.041 -21.027 2.420 373 HG22 THR 52 HG22 THR 52 -20.935 -20.727 3.762 374 HG23 THR 52 HG23 THR 52 -21.847 -22.234 3.692 375 H VAL 53 HN VAL 53 -17.331 -21.663 2.794 376 HA VAL 53 HA VAL 53 -15.909 -23.316 0.995 377 HB VAL 53 HB VAL 53 -13.975 -21.489 0.749 378 HG11 VAL 53 HG11 VAL 53 -14.989 -22.724 -1.120 379 HG12 VAL 53 HG12 VAL 53 -14.677 -21.039 -1.535 380 HG13 VAL 53 HG13 VAL 53 -16.317 -21.564 -1.157 381 HG21 VAL 53 HG21 VAL 53 -14.854 -19.268 0.209 382 HG22 VAL 53 HG22 VAL 53 -15.177 -19.697 1.888 383 HG23 VAL 53 HG23 VAL 53 -16.470 -19.782 0.691 384 H GLY 54 HN GLY 54 -13.516 -23.420 1.694 385 HA2 GLY 54 HA2 GLY 54 -11.822 -23.270 3.257 386 HA3 GLY 54 HA1 GLY 54 -12.890 -22.341 4.297 387 H GLU 55 HN GLU 55 -12.006 -23.625 5.980 388 HA GLU 55 HA GLU 55 -13.037 -26.374 6.172 389 HB2 GLU 55 HB2 GLU 55 -10.924 -26.840 6.824 390 HB3 GLU 55 HB1 GLU 55 -10.504 -25.136 6.843 391 HG2 GLU 55 HG2 GLU 55 -11.539 -25.024 9.148 392 HG3 GLU 55 HG1 GLU 55 -11.625 -26.784 9.099 393 HA PRO 56 HA PRO 56 -15.735 -24.770 9.412 394 HB2 PRO 56 HB2 PRO 56 -16.529 -27.126 10.491 395 HB3 PRO 56 HB1 PRO 56 -17.166 -26.523 8.963 396 HG2 PRO 56 HG2 PRO 56 -15.005 -28.551 9.444 397 HG3 PRO 56 HG1 PRO 56 -16.353 -28.608 8.290 398 HD2 PRO 56 HD2 PRO 56 -13.858 -27.904 7.549 399 HD3 PRO 56 HD1 PRO 56 -15.286 -27.214 6.787 400 H ALA 57 HN ALA 57 -14.765 -23.830 11.076 401 HA ALA 57 HA ALA 57 -13.460 -25.300 13.180 402 HB1 ALA 57 HB1 ALA 57 -11.639 -25.210 11.514 403 HB2 ALA 57 HB2 ALA 57 -11.255 -24.277 12.961 404 HB3 ALA 57 HB3 ALA 57 -11.761 -23.451 11.485 405 H THR 58 HN THR 58 -12.577 -23.696 14.859 406 HA THR 58 HA THR 58 -14.662 -21.928 15.514 407 HB THR 58 HB THR 58 -13.219 -22.967 17.225 408 HG1 THR 58 HG1 THR 58 -14.316 -21.161 17.923 409 HG21 THR 58 HG21 THR 58 -10.992 -22.049 17.694 410 HG22 THR 58 HG22 THR 58 -11.112 -21.010 16.274 411 HG23 THR 58 HG23 THR 58 -11.053 -22.763 16.081 412 H LYS 59 HN LYS 59 -14.406 -19.597 15.980 413 HA LYS 59 HA LYS 59 -14.129 -18.121 13.700 414 HB2 LYS 59 HB2 LYS 59 -15.272 -17.349 15.735 415 HB3 LYS 59 HB1 LYS 59 -13.724 -17.167 16.546 416 HG2 LYS 59 HG2 LYS 59 -14.545 -15.011 15.842 417 HG3 LYS 59 HG1 LYS 59 -13.100 -15.423 14.919 418 HD2 LYS 59 HD2 LYS 59 -14.437 -16.040 13.003 419 HD3 LYS 59 HD1 LYS 59 -15.927 -15.823 13.927 420 HE2 LYS 59 HE2 LYS 59 -13.939 -13.649 13.242 421 HE3 LYS 59 HE1 LYS 59 -15.481 -13.924 12.429 422 HZ1 LYS 59 HZ1 LYS 59 -15.680 -12.167 14.048 423 HZ2 LYS 59 HZ2 LYS 59 -15.117 -13.174 15.281 424 HZ3 LYS 59 HZ3 LYS 59 -16.604 -13.493 14.544 425 H GLN 60 HN GLN 60 -11.687 -18.503 16.253 426 HA GLN 60 HA GLN 60 -9.769 -16.745 15.263 427 HB2 GLN 60 HB2 GLN 60 -9.735 -17.738 17.526 428 HB3 GLN 60 HB1 GLN 60 -9.306 -19.294 16.831 429 HG2 GLN 60 HG2 GLN 60 -7.209 -18.337 15.993 430 HG3 GLN 60 HG1 GLN 60 -7.637 -16.782 16.705 431 HE21 GLN 60 HE21 GLN 60 -8.791 -17.982 19.111 432 HE22 GLN 60 HE22 GLN 60 -7.459 -18.550 20.052 433 H GLN 61 HN GLN 61 -10.186 -20.219 14.601 434 HA GLN 61 HA GLN 61 -7.844 -20.388 12.957 435 HB2 GLN 61 HB2 GLN 61 -10.200 -22.274 13.195 436 HB3 GLN 61 HB1 GLN 61 -8.696 -22.632 12.354 437 HG2 GLN 61 HG2 GLN 61 -7.469 -22.415 14.469 438 HG3 GLN 61 HG1 GLN 61 -8.984 -22.081 15.307 439 HE21 GLN 61 HE21 GLN 61 -7.037 -24.506 13.762 440 HE22 GLN 61 HE22 GLN 61 -7.946 -25.869 14.309 441 H CYS 62 HN CYS 62 -11.280 -19.960 12.396 442 HA CYS 62 HA CYS 62 -11.353 -20.354 9.626 443 HB2 CYS 62 HB2 CYS 62 -13.290 -20.099 11.310 444 HB3 CYS 62 HB1 CYS 62 -13.100 -18.365 11.083 445 HG CYS 62 HG CYS 62 -14.354 -20.685 8.976 446 H LEU 63 HN LEU 63 -10.953 -17.328 11.492 447 HA LEU 63 HA LEU 63 -10.527 -15.723 9.187 448 HB2 LEU 63 HB2 LEU 63 -9.815 -13.966 10.713 449 HB3 LEU 63 HB1 LEU 63 -11.294 -14.723 11.259 450 HG LEU 63 HG LEU 63 -9.659 -16.117 12.799 451 HD11 LEU 63 HD11 LEU 63 -7.742 -14.786 13.561 452 HD12 LEU 63 HD12 LEU 63 -8.041 -13.620 12.271 453 HD13 LEU 63 HD13 LEU 63 -7.578 -15.276 11.876 454 HD21 LEU 63 HD21 LEU 63 -9.947 -14.442 14.565 455 HD22 LEU 63 HD22 LEU 63 -11.417 -14.646 13.613 456 HD23 LEU 63 HD23 LEU 63 -10.387 -13.238 13.353 457 H GLN 64 HN GLN 64 -8.363 -17.468 11.360 458 HA GLN 64 HA GLN 64 -5.906 -16.545 10.348 459 HB2 GLN 64 HB2 GLN 64 -6.023 -17.875 12.389 460 HB3 GLN 64 HB1 GLN 64 -6.650 -19.252 11.493 461 HG2 GLN 64 HG2 GLN 64 -4.510 -19.370 10.249 462 HG3 GLN 64 HG1 GLN 64 -3.893 -18.054 11.245 463 HE21 GLN 64 HE21 GLN 64 -3.433 -18.432 13.407 464 HE22 GLN 64 HE22 GLN 64 -3.238 -20.028 14.038 465 H ARG 65 HN ARG 65 -8.202 -18.862 9.118 466 HA ARG 65 HA ARG 65 -6.361 -20.064 7.276 467 HB2 ARG 65 HB2 ARG 65 -8.364 -21.219 8.299 468 HB3 ARG 65 HB1 ARG 65 -9.378 -20.256 7.232 469 HG2 ARG 65 HG2 ARG 65 -8.584 -21.321 5.310 470 HG3 ARG 65 HG1 ARG 65 -7.165 -21.963 6.139 471 HD2 ARG 65 HD2 ARG 65 -8.823 -23.315 7.553 472 HD3 ARG 65 HD1 ARG 65 -10.027 -22.870 6.341 473 HE ARG 65 HE ARG 65 -8.881 -24.159 4.742 474 HH11 ARG 65 HH11 ARG 65 -7.509 -24.451 7.951 475 HH12 ARG 65 HH12 ARG 65 -6.436 -25.743 7.507 476 HH21 ARG 65 HH21 ARG 65 -7.512 -25.899 4.185 477 HH22 ARG 65 HH22 ARG 65 -6.439 -26.563 5.379 478 H ILE 66 HN ILE 66 -9.016 -17.699 7.021 479 HA ILE 66 HA ILE 66 -8.783 -17.378 4.205 480 HB ILE 66 HB ILE 66 -10.097 -15.322 4.462 481 HG12 ILE 66 HG12 ILE 66 -9.943 -15.825 7.447 482 HG13 ILE 66 HG11 ILE 66 -9.066 -14.555 6.609 483 HG21 ILE 66 HG21 ILE 66 -11.214 -17.496 4.404 484 HG22 ILE 66 HG22 ILE 66 -12.105 -16.329 5.378 485 HG23 ILE 66 HG23 ILE 66 -11.141 -17.580 6.163 486 HD11 ILE 66 HD11 ILE 66 -11.039 -13.667 7.673 487 HD12 ILE 66 HD12 ILE 66 -12.058 -14.822 6.813 488 HD13 ILE 66 HD13 ILE 66 -11.202 -13.562 5.921 489 H GLU 67 HN GLU 67 -7.256 -15.808 6.972 490 HA GLU 67 HA GLU 67 -5.981 -13.688 5.725 491 HB2 GLU 67 HB2 GLU 67 -5.111 -15.483 7.985 492 HB3 GLU 67 HB1 GLU 67 -4.077 -14.198 7.406 493 HG2 GLU 67 HG2 GLU 67 -5.886 -12.583 7.932 494 HG3 GLU 67 HG1 GLU 67 -6.800 -13.914 8.648 495 H GLN 68 HN GLN 68 -4.798 -17.007 6.145 496 HA GLN 68 HA GLN 68 -2.307 -16.548 4.901 497 HB2 GLN 68 HB2 GLN 68 -3.794 -19.127 5.430 498 HB3 GLN 68 HB1 GLN 68 -2.107 -19.027 4.941 499 HG2 GLN 68 HG2 GLN 68 -1.539 -17.872 6.992 500 HG3 GLN 68 HG1 GLN 68 -3.239 -17.829 7.475 501 HE21 GLN 68 HE21 GLN 68 -4.210 -19.681 8.238 502 HE22 GLN 68 HE22 GLN 68 -3.317 -21.095 8.691 503 H LEU 69 HN LEU 69 -5.316 -16.722 3.458 504 HA LEU 69 HA LEU 69 -4.301 -18.131 1.066 505 HB2 LEU 69 HB2 LEU 69 -7.138 -17.589 1.957 506 HB3 LEU 69 HB1 LEU 69 -6.710 -18.354 0.442 507 HG LEU 69 HG LEU 69 -6.127 -19.467 3.194 508 HD11 LEU 69 HD11 LEU 69 -8.500 -19.548 2.674 509 HD12 LEU 69 HD12 LEU 69 -7.802 -21.167 2.625 510 HD13 LEU 69 HD13 LEU 69 -8.153 -20.312 1.122 511 HD21 LEU 69 HD21 LEU 69 -4.419 -20.124 1.586 512 HD22 LEU 69 HD22 LEU 69 -5.665 -20.663 0.459 513 HD23 LEU 69 HD23 LEU 69 -5.445 -21.498 1.997 514 H TRP 70 HN TRP 70 -6.750 -15.606 1.637 515 HA TRP 70 HA TRP 70 -6.040 -14.298 -0.859 516 HB2 TRP 70 HB2 TRP 70 -8.399 -14.541 -0.355 517 HB3 TRP 70 HB1 TRP 70 -8.194 -13.728 1.192 518 HD1 TRP 70 HD1 TRP 70 -8.402 -11.130 1.210 519 HE1 TRP 70 HE1 TRP 70 -8.847 -9.341 -0.586 520 HE3 TRP 70 HE3 TRP 70 -7.892 -14.034 -2.973 521 HZ2 TRP 70 HZ2 TRP 70 -8.968 -9.182 -3.397 522 HZ3 TRP 70 HZ3 TRP 70 -8.192 -12.982 -5.179 523 HH2 TRP 70 HH2 TRP 70 -8.719 -10.605 -5.386 524 H THR 71 HN THR 71 -6.278 -13.455 2.540 525 HA THR 71 HA THR 71 -5.430 -10.760 2.183 526 HB THR 71 HB THR 71 -5.618 -12.277 4.794 527 HG1 THR 71 HG1 THR 71 -7.784 -10.927 3.546 528 HG21 THR 71 HG21 THR 71 -6.111 -9.387 4.054 529 HG22 THR 71 HG22 THR 71 -4.732 -10.011 4.960 530 HG23 THR 71 HG23 THR 71 -6.351 -10.085 5.656 531 H ASP 72 HN ASP 72 -3.763 -13.623 2.337 532 HA ASP 72 HA ASP 72 -1.819 -13.516 4.188 533 HB2 ASP 72 HB2 ASP 72 -2.132 -15.386 2.796 534 HB3 ASP 72 HB1 ASP 72 -1.643 -14.508 1.357 535 H MET 73 HN MET 73 -1.960 -11.500 1.372 536 HA MET 73 HA MET 73 0.796 -10.868 1.141 537 HB2 MET 73 HB2 MET 73 -1.556 -9.162 0.278 538 HB3 MET 73 HB1 MET 73 0.089 -9.091 -0.348 539 HG2 MET 73 HG2 MET 73 -1.847 -11.382 -0.657 540 HG3 MET 73 HG1 MET 73 -1.372 -10.233 -1.907 541 HE1 MET 73 HE1 MET 73 0.243 -13.785 -2.836 542 HE2 MET 73 HE2 MET 73 -0.951 -12.585 -3.329 543 HE3 MET 73 HE3 MET 73 -1.231 -13.569 -1.892 544 H VAL 74 HN VAL 74 1.298 -10.571 3.385 545 HA VAL 74 HA VAL 74 0.160 -8.289 4.783 546 HB VAL 74 HB VAL 74 0.367 -10.335 6.048 547 HG11 VAL 74 HG11 VAL 74 3.332 -10.232 5.467 548 HG12 VAL 74 HG12 VAL 74 2.180 -11.403 4.822 549 HG13 VAL 74 HG13 VAL 74 2.534 -11.373 6.550 550 HG21 VAL 74 HG21 VAL 74 2.397 -8.298 6.967 551 HG22 VAL 74 HG22 VAL 74 1.696 -9.563 7.974 552 HG23 VAL 74 HG23 VAL 74 0.668 -8.291 7.315 553 HA PRO 75 HA PRO 75 3.585 -5.605 3.686 554 HB2 PRO 75 HB2 PRO 75 2.706 -4.019 6.028 555 HB3 PRO 75 HB1 PRO 75 2.805 -3.549 4.328 556 HG2 PRO 75 HG2 PRO 75 0.440 -3.950 5.518 557 HG3 PRO 75 HG1 PRO 75 0.713 -4.422 3.827 558 HD2 PRO 75 HD2 PRO 75 0.709 -6.135 6.298 559 HD3 PRO 75 HD1 PRO 75 -0.024 -6.449 4.709 560 H ALA 76 HN ALA 76 4.859 -4.003 5.619 561 HA ALA 76 HA ALA 76 6.962 -5.591 6.464 562 HB1 ALA 76 HB1 ALA 76 7.091 -3.158 6.213 563 HB2 ALA 76 HB2 ALA 76 7.687 -3.673 7.791 564 HB3 ALA 76 HB3 ALA 76 6.083 -2.951 7.646 565 H SER 77 HN SER 77 3.892 -5.295 7.895 566 HA SER 77 HA SER 77 4.251 -5.693 10.583 567 HB2 SER 77 HB2 SER 77 2.062 -5.401 9.429 568 HB3 SER 77 HB1 SER 77 2.177 -7.056 8.836 569 HG SER 77 HG SER 77 1.179 -6.236 11.121 570 H VAL 78 HN VAL 78 4.857 -7.925 7.965 571 HA VAL 78 HA VAL 78 4.861 -10.384 9.221 572 HB VAL 78 HB VAL 78 5.253 -10.184 6.833 573 HG11 VAL 78 HG11 VAL 78 7.383 -9.415 5.907 574 HG12 VAL 78 HG12 VAL 78 7.949 -9.006 7.528 575 HG13 VAL 78 HG13 VAL 78 6.586 -8.135 6.823 576 HG21 VAL 78 HG21 VAL 78 6.033 -12.227 7.906 577 HG22 VAL 78 HG22 VAL 78 7.602 -11.486 8.225 578 HG23 VAL 78 HG23 VAL 78 7.093 -11.797 6.565 579 H ARG 79 HN ARG 79 7.376 -7.894 9.281 580 HA ARG 79 HA ARG 79 9.297 -9.467 10.715 581 HB2 ARG 79 HB2 ARG 79 9.075 -6.454 10.407 582 HB3 ARG 79 HB1 ARG 79 10.478 -7.309 11.030 583 HG2 ARG 79 HG2 ARG 79 9.378 -7.655 8.245 584 HG3 ARG 79 HG1 ARG 79 10.696 -6.562 8.671 585 HD2 ARG 79 HD2 ARG 79 10.680 -9.569 8.980 586 HD3 ARG 79 HD1 ARG 79 11.576 -8.648 7.776 587 HE ARG 79 HE ARG 79 12.389 -9.200 10.430 588 HH11 ARG 79 HH11 ARG 79 12.495 -6.652 8.019 589 HH12 ARG 79 HH12 ARG 79 13.922 -5.918 8.678 590 HH21 ARG 79 HH21 ARG 79 14.304 -8.247 11.270 591 HH22 ARG 79 HH22 ARG 79 14.962 -6.836 10.504 592 H GLU 80 HN GLU 80 6.679 -7.329 11.575 593 HA GLU 80 HA GLU 80 7.463 -6.970 14.305 594 HB2 GLU 80 HB2 GLU 80 6.073 -5.344 12.994 595 HB3 GLU 80 HB1 GLU 80 4.750 -6.500 13.039 596 HG2 GLU 80 HG2 GLU 80 4.493 -4.740 14.715 597 HG3 GLU 80 HG1 GLU 80 4.641 -6.335 15.451 598 H HIS 81 HN HIS 81 5.515 -9.253 12.530 599 HA HIS 81 HA HIS 81 4.080 -10.399 14.678 600 HB2 HIS 81 HB2 HIS 81 5.019 -11.682 12.097 601 HB3 HIS 81 HB1 HIS 81 3.854 -12.395 13.205 602 HD1 HIS 81 HD1 HIS 81 2.918 -11.998 10.411 603 HD2 HIS 81 HD2 HIS 81 2.585 -9.028 13.300 604 HE1 HIS 81 HE1 HIS 81 1.077 -10.487 9.619 605 HE2 HIS 81 HE2 HIS 81 1.071 -8.574 11.256 606 H LEU 82 HN LEU 82 7.334 -10.747 13.565 607 HA LEU 82 HA LEU 82 7.915 -13.255 14.774 608 HB2 LEU 82 HB2 LEU 82 9.775 -11.049 13.867 609 HB3 LEU 82 HB1 LEU 82 10.259 -12.689 14.247 610 HG LEU 82 HG LEU 82 8.448 -11.860 11.972 611 HD11 LEU 82 HD11 LEU 82 10.786 -11.258 11.603 612 HD12 LEU 82 HD12 LEU 82 10.280 -12.562 10.528 613 HD13 LEU 82 HD13 LEU 82 11.272 -12.921 11.941 614 HD21 LEU 82 HD21 LEU 82 7.810 -14.045 12.862 615 HD22 LEU 82 HD22 LEU 82 9.477 -14.601 12.713 616 HD23 LEU 82 HD23 LEU 82 8.549 -14.198 11.270 617 H ASN 83 HN ASN 83 7.347 -10.275 16.141 618 HA ASN 83 HA ASN 83 9.303 -9.909 18.064 619 HB2 ASN 83 HB2 ASN 83 7.715 -8.559 19.278 620 HB3 ASN 83 HB1 ASN 83 7.467 -8.298 17.560 621 HD21 ASN 83 HD21 ASN 83 6.009 -10.873 17.260 622 HD22 ASN 83 HD22 ASN 83 4.457 -10.596 17.953 623 H GLN 84 HN GLN 84 9.983 -11.085 19.694 624 HA GLN 84 HA GLN 84 10.105 -12.598 21.388 625 HB2 GLN 84 HB2 GLN 84 7.222 -11.780 21.834 626 HB3 GLN 84 HB1 GLN 84 8.295 -12.502 23.029 627 HG2 GLN 84 HG2 GLN 84 8.637 -9.796 21.737 628 HG3 GLN 84 HG1 GLN 84 8.066 -10.104 23.376 629 HE21 GLN 84 HE21 GLN 84 10.390 -8.602 22.382 630 HE22 GLN 84 HE22 GLN 84 11.768 -9.292 23.166 631 H HIS 85 HN HIS 85 9.290 -13.597 18.795 632 HA HIS 85 HA HIS 85 7.246 -15.293 18.500 633 HB2 HIS 85 HB2 HIS 85 8.748 -16.774 17.157 634 HB3 HIS 85 HB1 HIS 85 8.891 -15.064 16.771 635 HD1 HIS 85 HD1 HIS 85 11.095 -13.848 17.642 636 HD2 HIS 85 HD2 HIS 85 11.077 -17.997 17.976 637 HE1 HIS 85 HE1 HIS 85 13.492 -14.510 17.996 638 HE2 HIS 85 HE2 HIS 85 13.472 -17.029 18.015 639 H SER 86 HN SER 86 6.319 -16.580 19.913 640 HA SER 86 HA SER 86 7.921 -17.977 21.917 641 HB2 SER 86 HB2 SER 86 4.909 -17.665 21.790 642 HB3 SER 86 HB1 SER 86 5.878 -18.140 23.186 643 HG SER 86 HG SER 86 6.731 -15.774 22.193 644 H GLY 87 HN GLY 87 8.188 -20.119 21.938 645 HA2 GLY 87 HA2 GLY 87 7.948 -22.353 21.526 646 HA3 GLY 87 HA1 GLY 87 6.227 -22.019 21.462 647 HA PRO 88 HA PRO 88 6.728 -23.769 17.352 648 HB2 PRO 88 HB2 PRO 88 3.885 -22.958 17.066 649 HB3 PRO 88 HB1 PRO 88 4.623 -24.554 16.892 650 HG2 PRO 88 HG2 PRO 88 3.116 -23.958 19.021 651 HG3 PRO 88 HG1 PRO 88 4.559 -24.979 19.173 652 HD2 PRO 88 HD2 PRO 88 4.215 -22.074 19.850 653 HD3 PRO 88 HD1 PRO 88 5.069 -23.346 20.751 654 H GLY 89 HN GLY 89 5.943 -20.568 18.205 655 HA2 GLY 89 HA2 GLY 89 6.867 -18.764 16.899 656 HA3 GLY 89 HA1 GLY 89 6.497 -19.680 15.445 657 H ILE 90 HN ILE 90 5.568 -17.098 17.211 658 HA ILE 90 HA ILE 90 2.707 -17.373 16.666 659 HB ILE 90 HB ILE 90 2.513 -15.171 17.876 660 HG12 ILE 90 HG12 ILE 90 5.439 -15.678 18.519 661 HG13 ILE 90 HG11 ILE 90 4.822 -14.361 17.527 662 HG21 ILE 90 HG21 ILE 90 3.790 -17.449 19.397 663 HG22 ILE 90 HG22 ILE 90 2.079 -17.290 18.998 664 HG23 ILE 90 HG23 ILE 90 2.834 -16.148 20.111 665 HD11 ILE 90 HD11 ILE 90 3.656 -13.450 19.474 666 HD12 ILE 90 HD12 ILE 90 5.391 -13.589 19.749 667 HD13 ILE 90 HD13 ILE 90 4.289 -14.764 20.465 668 H ASP 91 HN ASP 91 2.345 -17.058 14.565 669 HA ASP 91 HA ASP 91 2.941 -14.435 13.456 670 HB2 ASP 91 HB2 ASP 91 4.864 -15.686 12.686 671 HB3 ASP 91 HB1 ASP 91 3.842 -17.009 12.135 672 H TYR 92 HN TYR 92 1.715 -13.954 11.574 673 HA TYR 92 HA TYR 92 -0.365 -15.667 10.644 674 HB2 TYR 92 HB2 TYR 92 -2.255 -14.209 11.391 675 HB3 TYR 92 HB1 TYR 92 -1.461 -15.044 12.718 676 HD1 TYR 92 HD2 TYR 92 0.283 -13.703 14.081 677 HD2 TYR 92 HD1 TYR 92 -2.540 -11.881 11.465 678 HE1 TYR 92 HE2 TYR 92 0.578 -11.568 15.259 679 HE2 TYR 92 HE1 TYR 92 -2.251 -9.740 12.639 680 HH TYR 92 HH TYR 92 0.274 -9.065 14.638 681 H ALA 93 HN ALA 93 -2.022 -13.900 9.432 682 HA ALA 93 HA ALA 93 -0.166 -12.498 7.645 683 HB1 ALA 93 HB1 ALA 93 -1.719 -14.162 6.679 684 HB2 ALA 93 HB2 ALA 93 -1.926 -12.548 6.004 685 HB3 ALA 93 HB3 ALA 93 -3.071 -13.159 7.197 686 H VAL 94 HN VAL 94 -2.667 -10.968 6.732 687 HA VAL 94 HA VAL 94 -2.407 -8.834 8.739 688 HB VAL 94 HB VAL 94 -1.214 -8.252 6.787 689 HG11 VAL 94 HG11 VAL 94 -2.181 -8.148 4.544 690 HG12 VAL 94 HG12 VAL 94 -3.701 -8.787 5.168 691 HG13 VAL 94 HG13 VAL 94 -2.247 -9.792 5.193 692 HG21 VAL 94 HG21 VAL 94 -2.314 -6.172 6.090 693 HG22 VAL 94 HG22 VAL 94 -2.438 -6.422 7.831 694 HG23 VAL 94 HG23 VAL 94 -3.829 -6.742 6.794 695 H ARG 95 HN ARG 95 -4.262 -10.411 9.393 696 HA ARG 95 HA ARG 95 -6.861 -10.186 8.579 697 HB2 ARG 95 HB2 ARG 95 -7.473 -10.345 11.023 698 HB3 ARG 95 HB1 ARG 95 -6.328 -11.553 10.464 699 HG2 ARG 95 HG2 ARG 95 -4.526 -9.894 11.348 700 HG3 ARG 95 HG1 ARG 95 -5.866 -9.201 12.260 701 HD2 ARG 95 HD2 ARG 95 -4.858 -12.043 12.381 702 HD3 ARG 95 HD1 ARG 95 -4.706 -10.812 13.633 703 HE ARG 95 HE ARG 95 -7.168 -12.213 12.854 704 HH11 ARG 95 HH11 ARG 95 -5.476 -10.076 15.057 705 HH12 ARG 95 HH12 ARG 95 -6.679 -10.200 16.299 706 HH21 ARG 95 HH21 ARG 95 -8.741 -12.391 14.504 707 HH22 ARG 95 HH22 ARG 95 -8.520 -11.542 16.000 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 13.826 -7.294 -0.140 2 H2 MET 1 HT2 MET 1 13.775 -8.971 -0.332 3 H3 MET 1 HT3 MET 1 14.568 -8.296 0.999 4 HA MET 1 HA MET 1 12.459 -9.196 1.658 5 HB2 MET 1 HB2 MET 1 12.544 -6.165 1.639 6 HB3 MET 1 HB1 MET 1 11.488 -7.129 2.664 7 HG2 MET 1 HG2 MET 1 14.503 -7.161 2.722 8 HG3 MET 1 HG1 MET 1 13.454 -6.327 3.871 9 HE1 MET 1 HE1 MET 1 15.753 -8.442 4.701 10 HE2 MET 1 HE2 MET 1 14.904 -9.326 5.968 11 HE3 MET 1 HE3 MET 1 14.742 -7.574 5.859 12 H ALA 2 HN ALA 2 11.124 -10.157 0.209 13 HA ALA 2 HA ALA 2 8.963 -8.542 -0.843 14 HB1 ALA 2 HB1 ALA 2 10.626 -8.447 -2.662 15 HB2 ALA 2 HB2 ALA 2 9.169 -9.317 -3.142 16 HB3 ALA 2 HB3 ALA 2 10.635 -10.210 -2.731 17 H HIS 3 HN HIS 3 7.751 -9.733 0.651 18 HA HIS 3 HA HIS 3 7.685 -12.555 0.756 19 HB2 HIS 3 HB2 HIS 3 6.864 -11.165 2.605 20 HB3 HIS 3 HB1 HIS 3 5.574 -10.543 1.584 21 HD1 HIS 3 HD1 HIS 3 6.719 -14.083 2.450 22 HD2 HIS 3 HD2 HIS 3 3.276 -11.756 2.334 23 HE1 HIS 3 HE1 HIS 3 4.853 -15.599 3.186 24 HE2 HIS 3 HE2 HIS 3 2.767 -14.197 3.007 25 H HIS 4 HN HIS 4 7.528 -13.361 -1.305 26 HA HIS 4 HA HIS 4 5.560 -12.550 -3.199 27 HB2 HIS 4 HB2 HIS 4 7.237 -15.076 -3.089 28 HB3 HIS 4 HB1 HIS 4 6.311 -14.531 -4.486 29 HD1 HIS 4 HD1 HIS 4 9.626 -14.695 -3.592 30 HD2 HIS 4 HD2 HIS 4 7.263 -11.528 -4.881 31 HE1 HIS 4 HE1 HIS 4 11.226 -12.984 -4.485 32 HE2 HIS 4 HE2 HIS 4 9.770 -11.143 -5.388 33 H HIS 5 HN HIS 5 3.454 -12.973 -3.093 34 HA HIS 5 HA HIS 5 2.517 -14.981 -1.229 35 HB2 HIS 5 HB2 HIS 5 1.412 -12.827 -1.134 36 HB3 HIS 5 HB1 HIS 5 0.983 -12.930 -2.841 37 HD1 HIS 5 HD1 HIS 5 0.420 -15.120 0.229 38 HD2 HIS 5 HD2 HIS 5 -1.594 -13.708 -3.118 39 HE1 HIS 5 HE1 HIS 5 -1.864 -16.159 0.333 40 HE2 HIS 5 HE2 HIS 5 -3.123 -15.095 -1.567 41 H HIS 6 HN HIS 6 3.347 -16.739 -2.537 42 HA HIS 6 HA HIS 6 1.033 -17.803 -3.998 43 HB2 HIS 6 HB2 HIS 6 2.384 -18.938 -5.631 44 HB3 HIS 6 HB1 HIS 6 2.895 -17.255 -5.643 45 HD1 HIS 6 HD1 HIS 6 4.188 -20.613 -5.482 46 HD2 HIS 6 HD2 HIS 6 5.411 -16.884 -4.094 47 HE1 HIS 6 HE1 HIS 6 6.641 -20.846 -4.985 48 HE2 HIS 6 HE2 HIS 6 7.372 -18.571 -4.194 49 H HIS 7 HN HIS 7 1.868 -17.795 -1.300 50 HA HIS 7 HA HIS 7 2.552 -20.616 -0.784 51 HB2 HIS 7 HB2 HIS 7 4.414 -19.200 -0.126 52 HB3 HIS 7 HB1 HIS 7 3.337 -18.106 0.732 53 HD1 HIS 7 HD1 HIS 7 2.585 -18.788 3.099 54 HD2 HIS 7 HD2 HIS 7 5.058 -21.583 1.256 55 HE1 HIS 7 HE1 HIS 7 3.276 -20.385 4.913 56 HE2 HIS 7 HE2 HIS 7 4.883 -21.976 3.805 57 H HIS 8 HN HIS 8 1.294 -21.672 0.719 58 HA HIS 8 HA HIS 8 -0.333 -22.114 2.237 59 HB2 HIS 8 HB2 HIS 8 0.733 -20.329 3.579 60 HB3 HIS 8 HB1 HIS 8 -0.276 -19.130 2.782 61 HD1 HIS 8 HD1 HIS 8 -2.302 -18.512 4.035 62 HD2 HIS 8 HD2 HIS 8 -0.982 -22.326 5.026 63 HE1 HIS 8 HE1 HIS 8 -3.849 -19.313 5.846 64 HE2 HIS 8 HE2 HIS 8 -3.164 -21.705 6.255 65 H MET 9 HN MET 9 -0.875 -21.085 -0.596 66 HA MET 9 HA MET 9 -3.449 -19.818 -0.440 67 HB2 MET 9 HB2 MET 9 -3.480 -19.991 -2.883 68 HB3 MET 9 HB1 MET 9 -1.960 -19.322 -2.310 69 HG2 MET 9 HG2 MET 9 -0.895 -21.519 -2.620 70 HG3 MET 9 HG1 MET 9 -2.418 -22.154 -3.240 71 HE1 MET 9 HE1 MET 9 -3.476 -19.613 -4.946 72 HE2 MET 9 HE2 MET 9 -3.574 -21.300 -5.455 73 HE3 MET 9 HE3 MET 9 -2.882 -20.092 -6.537 74 H GLY 10 HN GLY 10 -2.252 -23.074 -0.927 75 HA2 GLY 10 HA2 GLY 10 -3.294 -25.112 -1.020 76 HA3 GLY 10 HA1 GLY 10 -4.511 -24.378 0.014 77 H THR 11 HN THR 11 -6.402 -25.005 -0.814 78 HA THR 11 HA THR 11 -7.128 -24.002 -3.445 79 HB THR 11 HB THR 11 -7.579 -26.910 -2.705 80 HG1 THR 11 HG1 THR 11 -5.551 -25.660 -4.009 81 HG21 THR 11 HG21 THR 11 -9.458 -25.987 -3.969 82 HG22 THR 11 HG22 THR 11 -8.532 -27.103 -4.973 83 HG23 THR 11 HG23 THR 11 -8.349 -25.363 -5.190 84 H LEU 12 HN LEU 12 -8.396 -26.075 -0.812 85 HA LEU 12 HA LEU 12 -10.508 -24.131 -0.314 86 HB2 LEU 12 HB2 LEU 12 -11.354 -25.760 -2.040 87 HB3 LEU 12 HB1 LEU 12 -11.141 -27.040 -0.862 88 HG LEU 12 HG LEU 12 -12.794 -25.932 0.617 89 HD11 LEU 12 HD11 LEU 12 -14.191 -24.127 -0.254 90 HD12 LEU 12 HD12 LEU 12 -13.194 -24.045 -1.707 91 HD13 LEU 12 HD13 LEU 12 -12.504 -23.632 -0.137 92 HD21 LEU 12 HD21 LEU 12 -14.771 -26.516 -0.682 93 HD22 LEU 12 HD22 LEU 12 -13.494 -27.708 -0.918 94 HD23 LEU 12 HD23 LEU 12 -13.820 -26.506 -2.167 95 H GLU 13 HN GLU 13 -11.215 -27.212 0.949 96 HA GLU 13 HA GLU 13 -10.352 -26.309 3.594 97 HB2 GLU 13 HB2 GLU 13 -12.213 -28.552 2.755 98 HB3 GLU 13 HB1 GLU 13 -11.877 -28.090 4.418 99 HG2 GLU 13 HG2 GLU 13 -13.008 -26.012 4.196 100 HG3 GLU 13 HG1 GLU 13 -13.025 -26.141 2.433 101 H ALA 14 HN ALA 14 -8.809 -27.325 4.741 102 HA ALA 14 HA ALA 14 -7.857 -29.903 4.620 103 HB1 ALA 14 HB1 ALA 14 -6.307 -28.127 2.724 104 HB2 ALA 14 HB2 ALA 14 -7.281 -29.528 2.275 105 HB3 ALA 14 HB3 ALA 14 -5.820 -29.739 3.243 106 H GLN 15 HN GLN 15 -7.871 -26.905 5.833 107 HA GLN 15 HA GLN 15 -5.429 -27.267 7.405 108 HB2 GLN 15 HB2 GLN 15 -6.165 -24.724 5.932 109 HB3 GLN 15 HB1 GLN 15 -4.894 -24.844 7.140 110 HG2 GLN 15 HG2 GLN 15 -3.678 -26.415 5.719 111 HG3 GLN 15 HG1 GLN 15 -4.962 -26.331 4.516 112 HE21 GLN 15 HE21 GLN 15 -3.478 -25.590 2.955 113 HE22 GLN 15 HE22 GLN 15 -2.889 -23.966 2.968 114 H THR 16 HN THR 16 -6.244 -27.467 9.377 115 HA THR 16 HA THR 16 -7.939 -25.332 10.456 116 HB THR 16 HB THR 16 -9.472 -27.161 9.849 117 HG1 THR 16 HG1 THR 16 -9.051 -26.873 12.656 118 HG21 THR 16 HG21 THR 16 -9.359 -29.326 11.009 119 HG22 THR 16 HG22 THR 16 -7.827 -28.849 11.742 120 HG23 THR 16 HG23 THR 16 -7.941 -29.058 9.993 121 H GLN 17 HN GLN 17 -5.113 -26.248 10.577 122 HA GLN 17 HA GLN 17 -4.564 -27.422 13.091 123 HB2 GLN 17 HB2 GLN 17 -2.852 -25.786 11.208 124 HB3 GLN 17 HB1 GLN 17 -2.235 -26.446 12.714 125 HG2 GLN 17 HG2 GLN 17 -1.571 -28.022 11.172 126 HG3 GLN 17 HG1 GLN 17 -3.053 -28.720 11.812 127 HE21 GLN 17 HE21 GLN 17 -1.695 -29.220 9.300 128 HE22 GLN 17 HE22 GLN 17 -2.837 -28.878 8.048 129 H GLY 18 HN GLY 18 -5.384 -26.492 14.851 130 HA2 GLY 18 HA2 GLY 18 -4.614 -24.730 16.512 131 HA3 GLY 18 HA1 GLY 18 -5.027 -23.579 15.244 132 HA PRO 19 HA PRO 19 -9.190 -25.619 16.535 133 HB2 PRO 19 HB2 PRO 19 -9.258 -27.213 18.718 134 HB3 PRO 19 HB1 PRO 19 -8.807 -27.823 17.120 135 HG2 PRO 19 HG2 PRO 19 -7.041 -27.008 19.403 136 HG3 PRO 19 HG1 PRO 19 -6.928 -28.440 18.361 137 HD2 PRO 19 HD2 PRO 19 -5.403 -26.214 17.991 138 HD3 PRO 19 HD1 PRO 19 -5.908 -27.268 16.654 139 H GLY 20 HN GLY 20 -10.823 -24.913 17.946 140 HA2 GLY 20 HA2 GLY 20 -9.935 -23.199 20.189 141 HA3 GLY 20 HA1 GLY 20 -11.215 -22.726 19.074 142 H SER 21 HN SER 21 -10.559 -24.141 22.020 143 HA SER 21 HA SER 21 -12.617 -26.101 22.153 144 HB2 SER 21 HB2 SER 21 -12.162 -25.793 24.696 145 HB3 SER 21 HB1 SER 21 -10.858 -26.408 23.678 146 HG SER 21 HG SER 21 -10.988 -24.107 25.121 147 H MET 22 HN MET 22 -12.765 -22.760 22.069 148 HA MET 22 HA MET 22 -15.238 -22.616 23.644 149 HB2 MET 22 HB2 MET 22 -14.962 -20.168 23.486 150 HB3 MET 22 HB1 MET 22 -13.571 -20.948 24.221 151 HG2 MET 22 HG2 MET 22 -13.723 -20.062 21.343 152 HG3 MET 22 HG1 MET 22 -12.971 -19.144 22.643 153 HE1 MET 22 HE1 MET 22 -9.929 -21.410 23.617 154 HE2 MET 22 HE2 MET 22 -11.528 -21.434 24.360 155 HE3 MET 22 HE3 MET 22 -10.782 -19.896 23.922 156 H ASP 23 HN ASP 23 -14.582 -23.540 20.764 157 HA ASP 23 HA ASP 23 -16.788 -22.084 19.446 158 HB2 ASP 23 HB2 ASP 23 -14.288 -23.264 18.203 159 HB3 ASP 23 HB1 ASP 23 -15.670 -22.700 17.271 160 H ASP 24 HN ASP 24 -18.416 -23.456 19.951 161 HA ASP 24 HA ASP 24 -18.225 -26.287 19.241 162 HB2 ASP 24 HB2 ASP 24 -19.327 -25.740 21.352 163 HB3 ASP 24 HB1 ASP 24 -20.453 -24.671 20.521 164 H GLU 25 HN GLU 25 -19.694 -23.303 18.228 165 HA GLU 25 HA GLU 25 -20.858 -24.566 15.847 166 HB2 GLU 25 HB2 GLU 25 -21.013 -21.706 16.847 167 HB3 GLU 25 HB1 GLU 25 -21.863 -22.344 15.448 168 HG2 GLU 25 HG2 GLU 25 -22.273 -23.458 18.209 169 HG3 GLU 25 HG1 GLU 25 -23.171 -22.063 17.621 170 H LEU 26 HN LEU 26 -19.419 -24.773 14.186 171 HA LEU 26 HA LEU 26 -16.982 -23.293 14.156 172 HB2 LEU 26 HB2 LEU 26 -18.209 -25.117 12.088 173 HB3 LEU 26 HB1 LEU 26 -16.653 -24.341 11.879 174 HG LEU 26 HG LEU 26 -15.783 -26.214 12.736 175 HD11 LEU 26 HD11 LEU 26 -15.633 -26.388 15.159 176 HD12 LEU 26 HD12 LEU 26 -16.970 -25.252 15.338 177 HD13 LEU 26 HD13 LEU 26 -15.445 -24.716 14.629 178 HD21 LEU 26 HD21 LEU 26 -17.812 -27.448 12.376 179 HD22 LEU 26 HD22 LEU 26 -18.481 -26.867 13.903 180 HD23 LEU 26 HD23 LEU 26 -17.080 -27.939 13.904 181 H TYR 27 HN TYR 27 -16.248 -22.270 12.095 182 HA TYR 27 HA TYR 27 -18.308 -20.498 10.965 183 HB2 TYR 27 HB2 TYR 27 -15.476 -19.908 11.838 184 HB3 TYR 27 HB1 TYR 27 -16.273 -18.917 10.626 185 HD1 TYR 27 HD1 TYR 27 -16.907 -20.227 14.099 186 HD2 TYR 27 HD2 TYR 27 -17.336 -17.006 11.339 187 HE1 TYR 27 HE1 TYR 27 -17.843 -18.820 15.884 188 HE2 TYR 27 HE2 TYR 27 -18.277 -15.601 13.117 189 HH TYR 27 HH TYR 27 -19.401 -15.849 15.273 190 H PHE 28 HN PHE 28 -18.116 -20.097 8.778 191 HA PHE 28 HA PHE 28 -16.061 -21.608 7.301 192 HB2 PHE 28 HB2 PHE 28 -18.921 -21.791 7.106 193 HB3 PHE 28 HB1 PHE 28 -18.329 -21.058 5.620 194 HD1 PHE 28 HD1 PHE 28 -15.744 -22.406 5.277 195 HD2 PHE 28 HD2 PHE 28 -19.506 -23.966 6.506 196 HE1 PHE 28 HE1 PHE 28 -15.104 -24.625 4.446 197 HE2 PHE 28 HE2 PHE 28 -18.842 -26.192 5.672 198 HZ PHE 28 HZ PHE 28 -16.661 -26.510 4.625 199 H VAL 29 HN VAL 29 -15.411 -20.582 5.253 200 HA VAL 29 HA VAL 29 -15.507 -17.666 5.427 201 HB VAL 29 HB VAL 29 -14.122 -19.496 3.443 202 HG11 VAL 29 HG11 VAL 29 -14.613 -17.326 2.453 203 HG12 VAL 29 HG12 VAL 29 -12.882 -17.531 2.716 204 HG13 VAL 29 HG13 VAL 29 -13.828 -16.519 3.811 205 HG21 VAL 29 HG21 VAL 29 -13.204 -19.714 5.682 206 HG22 VAL 29 HG22 VAL 29 -13.010 -17.965 5.790 207 HG23 VAL 29 HG23 VAL 29 -12.061 -18.887 4.623 208 H VAL 30 HN VAL 30 -16.719 -16.409 3.958 209 HA VAL 30 HA VAL 30 -18.257 -17.873 1.937 210 HB VAL 30 HB VAL 30 -20.346 -16.764 2.560 211 HG11 VAL 30 HG11 VAL 30 -19.087 -18.302 4.837 212 HG12 VAL 30 HG12 VAL 30 -19.933 -18.984 3.448 213 HG13 VAL 30 HG13 VAL 30 -20.815 -18.019 4.632 214 HG21 VAL 30 HG21 VAL 30 -19.433 -14.752 3.591 215 HG22 VAL 30 HG22 VAL 30 -18.814 -15.704 4.943 216 HG23 VAL 30 HG23 VAL 30 -20.555 -15.558 4.689 217 H ARG 31 HN ARG 31 -19.276 -16.559 0.369 218 HA ARG 31 HA ARG 31 -18.867 -13.716 0.264 219 HB2 ARG 31 HB2 ARG 31 -17.349 -13.652 -1.672 220 HB3 ARG 31 HB1 ARG 31 -16.571 -14.416 -0.293 221 HG2 ARG 31 HG2 ARG 31 -17.016 -16.619 -1.254 222 HG3 ARG 31 HG1 ARG 31 -17.810 -15.858 -2.633 223 HD2 ARG 31 HD2 ARG 31 -15.704 -14.752 -3.229 224 HD3 ARG 31 HD1 ARG 31 -14.912 -15.515 -1.847 225 HE ARG 31 HE ARG 31 -16.116 -17.482 -3.476 226 HH11 ARG 31 HH11 ARG 31 -13.365 -15.283 -3.480 227 HH12 ARG 31 HH12 ARG 31 -12.401 -16.317 -4.488 228 HH21 ARG 31 HH21 ARG 31 -14.863 -18.800 -4.804 229 HH22 ARG 31 HH22 ARG 31 -13.259 -18.317 -5.249 230 H ASN 32 HN ASN 32 -19.656 -12.814 -1.870 231 HA ASN 32 HA ASN 32 -20.852 -14.732 -3.706 232 HB2 ASN 32 HB2 ASN 32 -23.089 -13.939 -3.575 233 HB3 ASN 32 HB1 ASN 32 -22.596 -14.167 -1.900 234 HD21 ASN 32 HD21 ASN 32 -21.947 -12.245 -0.700 235 HD22 ASN 32 HD22 ASN 32 -22.640 -10.718 -1.107 236 H ASN 33 HN ASN 33 -20.822 -13.990 -5.750 237 HA ASN 33 HA ASN 33 -20.289 -12.710 -7.553 238 HB2 ASN 33 HB2 ASN 33 -22.599 -12.071 -7.079 239 HB3 ASN 33 HB1 ASN 33 -22.048 -10.787 -6.013 240 HD21 ASN 33 HD21 ASN 33 -21.451 -8.858 -6.873 241 HD22 ASN 33 HD22 ASN 33 -21.560 -8.473 -8.553 242 H GLU 34 HN GLU 34 -18.603 -12.073 -4.897 243 HA GLU 34 HA GLU 34 -17.613 -9.417 -5.726 244 HB2 GLU 34 HB2 GLU 34 -16.967 -9.092 -3.383 245 HB3 GLU 34 HB1 GLU 34 -18.685 -9.481 -3.512 246 HG2 GLU 34 HG2 GLU 34 -18.106 -11.855 -2.969 247 HG3 GLU 34 HG1 GLU 34 -16.459 -11.321 -2.644 248 H GLY 35 HN GLY 35 -16.675 -12.682 -4.891 249 HA2 GLY 35 HA2 GLY 35 -14.698 -13.803 -5.320 250 HA3 GLY 35 HA1 GLY 35 -14.020 -12.316 -5.965 251 H GLN 36 HN GLN 36 -14.833 -10.925 -3.385 252 HA GLN 36 HA GLN 36 -12.411 -11.284 -1.934 253 HB2 GLN 36 HB2 GLN 36 -14.923 -9.695 -1.428 254 HB3 GLN 36 HB1 GLN 36 -13.651 -9.788 -0.219 255 HG2 GLN 36 HG2 GLN 36 -13.495 -7.760 -1.576 256 HG3 GLN 36 HG1 GLN 36 -12.068 -8.779 -1.739 257 HE21 GLN 36 HE21 GLN 36 -14.932 -7.579 -3.313 258 HE22 GLN 36 HE22 GLN 36 -14.471 -8.012 -4.924 259 H TYR 37 HN TYR 37 -12.665 -11.499 0.621 260 HA TYR 37 HA TYR 37 -14.256 -13.938 1.068 261 HB2 TYR 37 HB2 TYR 37 -11.384 -13.379 1.769 262 HB3 TYR 37 HB1 TYR 37 -12.322 -14.566 2.676 263 HD1 TYR 37 HD2 TYR 37 -13.915 -15.904 0.819 264 HD2 TYR 37 HD1 TYR 37 -9.929 -14.502 0.298 265 HE1 TYR 37 HE2 TYR 37 -13.539 -17.620 -0.921 266 HE2 TYR 37 HE1 TYR 37 -9.541 -16.204 -1.440 267 HH TYR 37 HH TYR 37 -10.506 -18.464 -2.050 268 H SER 38 HN SER 38 -15.561 -13.960 2.739 269 HA SER 38 HA SER 38 -14.777 -12.450 5.116 270 HB2 SER 38 HB2 SER 38 -17.580 -12.658 3.981 271 HB3 SER 38 HB1 SER 38 -17.201 -11.996 5.572 272 HG SER 38 HG SER 38 -16.902 -10.878 3.074 273 H VAL 39 HN VAL 39 -16.383 -13.335 7.022 274 HA VAL 39 HA VAL 39 -16.444 -16.266 6.743 275 HB VAL 39 HB VAL 39 -15.962 -16.464 9.172 276 HG11 VAL 39 HG11 VAL 39 -13.823 -15.048 7.569 277 HG12 VAL 39 HG12 VAL 39 -14.192 -16.772 7.505 278 HG13 VAL 39 HG13 VAL 39 -13.553 -16.060 8.988 279 HG21 VAL 39 HG21 VAL 39 -14.990 -14.556 10.375 280 HG22 VAL 39 HG22 VAL 39 -16.658 -14.240 9.904 281 HG23 VAL 39 HG23 VAL 39 -15.334 -13.510 8.996 282 H TRP 40 HN TRP 40 -17.952 -17.354 8.171 283 HA TRP 40 HA TRP 40 -20.325 -15.836 8.926 284 HB2 TRP 40 HB2 TRP 40 -20.764 -16.184 6.613 285 HB3 TRP 40 HB1 TRP 40 -20.146 -17.825 6.660 286 HD1 TRP 40 HD1 TRP 40 -23.245 -15.804 7.793 287 HE1 TRP 40 HE1 TRP 40 -25.251 -17.425 7.869 288 HE3 TRP 40 HE3 TRP 40 -20.788 -20.176 6.827 289 HZ2 TRP 40 HZ2 TRP 40 -25.717 -20.178 7.543 290 HZ3 TRP 40 HZ3 TRP 40 -22.086 -22.263 6.719 291 HH2 TRP 40 HH2 TRP 40 -24.502 -22.266 7.073 292 H MET 41 HN MET 41 -21.465 -16.837 10.522 293 HA MET 41 HA MET 41 -20.156 -19.067 11.832 294 HB2 MET 41 HB2 MET 41 -20.961 -17.071 13.083 295 HB3 MET 41 HB1 MET 41 -22.613 -17.490 12.654 296 HG2 MET 41 HG2 MET 41 -22.418 -19.578 13.902 297 HG3 MET 41 HG1 MET 41 -20.751 -19.177 14.318 298 HE1 MET 41 HE1 MET 41 -21.045 -19.341 16.909 299 HE2 MET 41 HE2 MET 41 -22.675 -19.947 16.612 300 HE3 MET 41 HE3 MET 41 -22.415 -18.651 17.781 301 H ASP 42 HN ASP 42 -20.718 -21.126 11.526 302 HA ASP 42 HA ASP 42 -22.940 -21.863 9.901 303 HB2 ASP 42 HB2 ASP 42 -20.861 -23.179 9.908 304 HB3 ASP 42 HB1 ASP 42 -21.112 -23.596 11.599 305 H GLY 43 HN GLY 43 -24.512 -23.596 10.673 306 HA2 GLY 43 HA2 GLY 43 -25.891 -24.398 12.498 307 HA3 GLY 43 HA1 GLY 43 -25.531 -22.910 13.368 308 H ARG 44 HN ARG 44 -25.829 -21.923 10.349 309 HA ARG 44 HA ARG 44 -28.761 -21.679 10.325 310 HB2 ARG 44 HB2 ARG 44 -28.202 -19.287 9.348 311 HB3 ARG 44 HB1 ARG 44 -28.265 -19.542 11.088 312 HG2 ARG 44 HG2 ARG 44 -25.843 -19.691 11.181 313 HG3 ARG 44 HG1 ARG 44 -25.746 -19.540 9.428 314 HD2 ARG 44 HD2 ARG 44 -25.248 -17.425 10.607 315 HD3 ARG 44 HD1 ARG 44 -26.634 -17.297 9.525 316 HE ARG 44 HE ARG 44 -27.680 -17.923 11.996 317 HH11 ARG 44 HH11 ARG 44 -25.641 -15.337 10.768 318 HH12 ARG 44 HH12 ARG 44 -26.342 -14.136 11.802 319 HH21 ARG 44 HH21 ARG 44 -28.595 -16.332 13.340 320 HH22 ARG 44 HH22 ARG 44 -28.009 -14.695 13.269 321 H SER 45 HN SER 45 -29.468 -20.793 8.103 322 HA SER 45 HA SER 45 -27.918 -22.130 5.993 323 HB2 SER 45 HB2 SER 45 -30.110 -21.767 4.684 324 HB3 SER 45 HB1 SER 45 -30.146 -22.945 5.995 325 HG SER 45 HG SER 45 -31.436 -21.692 7.120 326 H LEU 46 HN LEU 46 -27.317 -21.055 4.126 327 HA LEU 46 HA LEU 46 -26.943 -18.206 4.536 328 HB2 LEU 46 HB2 LEU 46 -25.618 -20.306 2.959 329 HB3 LEU 46 HB1 LEU 46 -25.666 -18.736 2.199 330 HG LEU 46 HG LEU 46 -24.491 -19.332 4.919 331 HD11 LEU 46 HD11 LEU 46 -22.342 -18.898 3.868 332 HD12 LEU 46 HD12 LEU 46 -23.130 -18.663 2.307 333 HD13 LEU 46 HD13 LEU 46 -23.157 -20.249 3.082 334 HD21 LEU 46 HD21 LEU 46 -23.645 -17.027 4.822 335 HD22 LEU 46 HD22 LEU 46 -25.407 -17.077 4.825 336 HD23 LEU 46 HD23 LEU 46 -24.537 -16.765 3.322 337 HA PRO 47 HA PRO 47 -30.177 -16.730 1.812 338 HB2 PRO 47 HB2 PRO 47 -28.007 -14.741 1.267 339 HB3 PRO 47 HB1 PRO 47 -29.712 -14.470 1.642 340 HG2 PRO 47 HG2 PRO 47 -27.767 -14.126 3.479 341 HG3 PRO 47 HG1 PRO 47 -29.389 -14.697 3.910 342 HD2 PRO 47 HD2 PRO 47 -26.830 -16.189 3.835 343 HD3 PRO 47 HD1 PRO 47 -28.317 -16.529 4.739 344 H ALA 48 HN ALA 48 -30.593 -17.364 -0.196 345 HA ALA 48 HA ALA 48 -28.899 -18.704 -1.894 346 HB1 ALA 48 HB1 ALA 48 -30.555 -18.283 -3.660 347 HB2 ALA 48 HB2 ALA 48 -31.306 -17.044 -2.653 348 HB3 ALA 48 HB3 ALA 48 -31.324 -18.729 -2.135 349 H GLY 49 HN GLY 49 -27.285 -18.133 -3.214 350 HA2 GLY 49 HA2 GLY 49 -26.422 -16.564 -4.897 351 HA3 GLY 49 HA1 GLY 49 -26.955 -15.259 -3.846 352 H TRP 50 HN TRP 50 -26.017 -16.791 -1.425 353 HA TRP 50 HA TRP 50 -23.243 -15.928 -1.557 354 HB2 TRP 50 HB2 TRP 50 -24.950 -17.050 0.668 355 HB3 TRP 50 HB1 TRP 50 -23.233 -16.721 0.873 356 HD1 TRP 50 HD1 TRP 50 -26.535 -14.869 0.114 357 HE1 TRP 50 HE1 TRP 50 -26.281 -12.424 0.880 358 HE3 TRP 50 HE3 TRP 50 -21.598 -14.938 1.444 359 HZ2 TRP 50 HZ2 TRP 50 -24.266 -10.749 1.907 360 HZ3 TRP 50 HZ3 TRP 50 -20.584 -12.870 2.316 361 HH2 TRP 50 HH2 TRP 50 -21.891 -10.818 2.542 362 H GLU 51 HN GLU 51 -21.456 -17.306 -0.917 363 HA GLU 51 HA GLU 51 -21.910 -20.189 -1.270 364 HB2 GLU 51 HB2 GLU 51 -20.014 -20.435 -2.727 365 HB3 GLU 51 HB1 GLU 51 -21.051 -19.192 -3.416 366 HG2 GLU 51 HG2 GLU 51 -19.602 -17.464 -2.533 367 HG3 GLU 51 HG1 GLU 51 -18.584 -18.674 -1.768 368 H THR 52 HN THR 52 -20.302 -21.499 -0.365 369 HA THR 52 HA THR 52 -18.899 -20.285 1.921 370 HB THR 52 HB THR 52 -18.933 -22.652 2.846 371 HG1 THR 52 HG1 THR 52 -19.647 -23.332 0.493 372 HG21 THR 52 HG21 THR 52 -21.267 -22.539 3.593 373 HG22 THR 52 HG22 THR 52 -21.620 -21.354 2.337 374 HG23 THR 52 HG23 THR 52 -20.507 -20.948 3.644 375 H VAL 53 HN VAL 53 -16.844 -21.183 2.498 376 HA VAL 53 HA VAL 53 -15.259 -22.720 0.707 377 HB VAL 53 HB VAL 53 -13.664 -20.633 0.304 378 HG11 VAL 53 HG11 VAL 53 -16.112 -21.095 -1.412 379 HG12 VAL 53 HG12 VAL 53 -14.606 -22.010 -1.491 380 HG13 VAL 53 HG13 VAL 53 -14.621 -20.300 -1.923 381 HG21 VAL 53 HG21 VAL 53 -14.898 -18.571 -0.189 382 HG22 VAL 53 HG22 VAL 53 -15.019 -19.012 1.513 383 HG23 VAL 53 HG23 VAL 53 -16.378 -19.308 0.428 384 H GLY 54 HN GLY 54 -12.854 -22.373 1.303 385 HA2 GLY 54 HA2 GLY 54 -11.176 -21.861 2.825 386 HA3 GLY 54 HA1 GLY 54 -12.382 -21.209 3.918 387 H GLU 55 HN GLU 55 -12.774 -22.345 5.642 388 HA GLU 55 HA GLU 55 -12.583 -25.227 5.770 389 HB2 GLU 55 HB2 GLU 55 -10.301 -24.286 6.345 390 HB3 GLU 55 HB1 GLU 55 -11.050 -23.448 7.694 391 HG2 GLU 55 HG2 GLU 55 -10.057 -25.387 8.582 392 HG3 GLU 55 HG1 GLU 55 -11.792 -25.697 8.539 393 HA PRO 56 HA PRO 56 -15.697 -24.017 8.862 394 HB2 PRO 56 HB2 PRO 56 -16.672 -26.428 9.477 395 HB3 PRO 56 HB1 PRO 56 -17.113 -25.586 7.998 396 HG2 PRO 56 HG2 PRO 56 -15.235 -27.870 8.383 397 HG3 PRO 56 HG1 PRO 56 -16.307 -27.523 7.017 398 HD2 PRO 56 HD2 PRO 56 -13.570 -26.986 7.120 399 HD3 PRO 56 HD1 PRO 56 -14.702 -26.299 5.955 400 H ALA 57 HN ALA 57 -14.676 -23.371 10.611 401 HA ALA 57 HA ALA 57 -13.630 -25.269 12.528 402 HB1 ALA 57 HB1 ALA 57 -11.674 -23.444 11.114 403 HB2 ALA 57 HB2 ALA 57 -11.760 -25.199 10.950 404 HB3 ALA 57 HB3 ALA 57 -11.309 -24.480 12.496 405 H THR 58 HN THR 58 -12.227 -23.874 14.190 406 HA THR 58 HA THR 58 -13.910 -22.118 15.509 407 HB THR 58 HB THR 58 -12.180 -23.050 16.808 408 HG1 THR 58 HG1 THR 58 -12.339 -21.038 17.631 409 HG21 THR 58 HG21 THR 58 -9.794 -22.798 16.341 410 HG22 THR 58 HG22 THR 58 -10.164 -21.867 14.891 411 HG23 THR 58 HG23 THR 58 -10.618 -23.568 14.985 412 H LYS 59 HN LYS 59 -13.932 -19.900 15.783 413 HA LYS 59 HA LYS 59 -13.828 -18.178 13.665 414 HB2 LYS 59 HB2 LYS 59 -14.849 -17.591 15.791 415 HB3 LYS 59 HB1 LYS 59 -13.289 -17.621 16.597 416 HG2 LYS 59 HG2 LYS 59 -13.969 -15.347 16.264 417 HG3 LYS 59 HG1 LYS 59 -12.577 -15.685 15.238 418 HD2 LYS 59 HD2 LYS 59 -13.981 -15.874 13.293 419 HD3 LYS 59 HD1 LYS 59 -15.440 -15.766 14.283 420 HE2 LYS 59 HE2 LYS 59 -13.376 -13.589 13.915 421 HE3 LYS 59 HE1 LYS 59 -14.972 -13.640 13.169 422 HZ1 LYS 59 HZ1 LYS 59 -14.464 -13.522 16.094 423 HZ2 LYS 59 HZ2 LYS 59 -15.982 -13.492 15.339 424 HZ3 LYS 59 HZ3 LYS 59 -14.906 -12.204 15.131 425 H GLN 60 HN GLN 60 -11.249 -19.036 15.889 426 HA GLN 60 HA GLN 60 -9.322 -17.158 15.117 427 HB2 GLN 60 HB2 GLN 60 -8.880 -19.966 16.165 428 HB3 GLN 60 HB1 GLN 60 -7.688 -18.672 16.161 429 HG2 GLN 60 HG2 GLN 60 -9.099 -17.373 17.694 430 HG3 GLN 60 HG1 GLN 60 -10.282 -18.680 17.701 431 HE21 GLN 60 HE21 GLN 60 -9.799 -20.600 18.777 432 HE22 GLN 60 HE22 GLN 60 -8.508 -20.715 19.921 433 H GLN 61 HN GLN 61 -10.003 -20.399 13.847 434 HA GLN 61 HA GLN 61 -7.778 -20.432 12.049 435 HB2 GLN 61 HB2 GLN 61 -10.231 -22.129 12.388 436 HB3 GLN 61 HB1 GLN 61 -9.242 -22.306 10.948 437 HG2 GLN 61 HG2 GLN 61 -8.328 -22.687 13.792 438 HG3 GLN 61 HG1 GLN 61 -8.646 -23.959 12.614 439 HE21 GLN 61 HE21 GLN 61 -6.402 -21.603 13.724 440 HE22 GLN 61 HE22 GLN 61 -5.112 -22.030 12.657 441 H CYS 62 HN CYS 62 -11.245 -19.815 11.699 442 HA CYS 62 HA CYS 62 -11.272 -19.603 8.914 443 HB2 CYS 62 HB2 CYS 62 -13.130 -18.283 10.904 444 HB3 CYS 62 HB1 CYS 62 -13.467 -18.561 9.195 445 HG CYS 62 HG CYS 62 -14.008 -21.141 9.330 446 H LEU 63 HN LEU 63 -10.935 -17.023 11.387 447 HA LEU 63 HA LEU 63 -10.776 -14.950 9.440 448 HB2 LEU 63 HB2 LEU 63 -10.055 -13.479 11.244 449 HB3 LEU 63 HB1 LEU 63 -11.442 -14.432 11.718 450 HG LEU 63 HG LEU 63 -9.650 -15.976 12.865 451 HD11 LEU 63 HD11 LEU 63 -7.711 -14.758 13.712 452 HD12 LEU 63 HD12 LEU 63 -8.150 -13.358 12.734 453 HD13 LEU 63 HD13 LEU 63 -7.677 -14.866 11.953 454 HD21 LEU 63 HD21 LEU 63 -9.842 -14.634 14.922 455 HD22 LEU 63 HD22 LEU 63 -11.378 -14.767 14.066 456 HD23 LEU 63 HD23 LEU 63 -10.439 -13.277 13.966 457 H GLN 64 HN GLN 64 -8.371 -16.904 11.115 458 HA GLN 64 HA GLN 64 -6.075 -15.519 10.285 459 HB2 GLN 64 HB2 GLN 64 -5.996 -17.155 12.080 460 HB3 GLN 64 HB1 GLN 64 -6.459 -18.444 10.976 461 HG2 GLN 64 HG2 GLN 64 -4.358 -18.214 9.782 462 HG3 GLN 64 HG1 GLN 64 -3.898 -16.860 10.811 463 HE21 GLN 64 HE21 GLN 64 -5.524 -19.722 12.016 464 HE22 GLN 64 HE22 GLN 64 -4.183 -20.325 12.919 465 H ARG 65 HN ARG 65 -7.955 -18.082 8.743 466 HA ARG 65 HA ARG 65 -6.024 -18.826 6.859 467 HB2 ARG 65 HB2 ARG 65 -7.749 -20.340 7.423 468 HB3 ARG 65 HB1 ARG 65 -9.005 -19.154 7.087 469 HG2 ARG 65 HG2 ARG 65 -8.334 -19.244 4.686 470 HG3 ARG 65 HG1 ARG 65 -7.262 -20.588 5.104 471 HD2 ARG 65 HD2 ARG 65 -10.096 -20.715 5.989 472 HD3 ARG 65 HD1 ARG 65 -9.741 -20.967 4.300 473 HE ARG 65 HE ARG 65 -8.960 -22.682 6.526 474 HH11 ARG 65 HH11 ARG 65 -8.721 -22.024 3.096 475 HH12 ARG 65 HH12 ARG 65 -8.425 -23.677 2.668 476 HH21 ARG 65 HH21 ARG 65 -8.559 -24.874 5.965 477 HH22 ARG 65 HH22 ARG 65 -8.325 -25.284 4.293 478 H ILE 66 HN ILE 66 -8.827 -16.627 6.662 479 HA ILE 66 HA ILE 66 -8.431 -16.041 3.899 480 HB ILE 66 HB ILE 66 -10.014 -14.154 4.262 481 HG12 ILE 66 HG12 ILE 66 -10.186 -15.172 7.114 482 HG13 ILE 66 HG11 ILE 66 -9.345 -13.697 6.645 483 HG21 ILE 66 HG21 ILE 66 -11.961 -15.557 4.709 484 HG22 ILE 66 HG22 ILE 66 -10.917 -16.807 5.388 485 HG23 ILE 66 HG23 ILE 66 -10.802 -16.396 3.677 486 HD11 ILE 66 HD11 ILE 66 -11.490 -12.818 5.769 487 HD12 ILE 66 HD12 ILE 66 -11.513 -13.141 7.502 488 HD13 ILE 66 HD13 ILE 66 -12.290 -14.263 6.384 489 H GLU 67 HN GLU 67 -7.425 -14.499 6.913 490 HA GLU 67 HA GLU 67 -6.386 -12.145 5.778 491 HB2 GLU 67 HB2 GLU 67 -5.655 -13.622 8.313 492 HB3 GLU 67 HB1 GLU 67 -4.983 -12.057 7.881 493 HG2 GLU 67 HG2 GLU 67 -7.930 -12.598 8.214 494 HG3 GLU 67 HG1 GLU 67 -6.884 -11.959 9.481 495 H GLN 68 HN GLN 68 -4.804 -15.237 6.591 496 HA GLN 68 HA GLN 68 -2.284 -14.456 5.483 497 HB2 GLN 68 HB2 GLN 68 -3.298 -17.245 6.066 498 HB3 GLN 68 HB1 GLN 68 -1.618 -16.773 5.832 499 HG2 GLN 68 HG2 GLN 68 -1.754 -15.375 7.854 500 HG3 GLN 68 HG1 GLN 68 -3.415 -15.913 8.095 501 HE21 GLN 68 HE21 GLN 68 -1.276 -16.225 9.927 502 HE22 GLN 68 HE22 GLN 68 -1.040 -17.921 10.159 503 H LEU 69 HN LEU 69 -5.045 -14.846 3.892 504 HA LEU 69 HA LEU 69 -3.781 -15.987 1.496 505 HB2 LEU 69 HB2 LEU 69 -6.676 -15.413 2.133 506 HB3 LEU 69 HB1 LEU 69 -6.121 -15.822 0.520 507 HG LEU 69 HG LEU 69 -5.890 -17.601 2.956 508 HD11 LEU 69 HD11 LEU 69 -7.698 -17.797 0.549 509 HD12 LEU 69 HD12 LEU 69 -8.192 -17.388 2.193 510 HD13 LEU 69 HD13 LEU 69 -7.557 -18.994 1.836 511 HD21 LEU 69 HD21 LEU 69 -5.170 -18.138 0.069 512 HD22 LEU 69 HD22 LEU 69 -5.145 -19.319 1.378 513 HD23 LEU 69 HD23 LEU 69 -4.036 -17.952 1.410 514 H TRP 70 HN TRP 70 -6.018 -13.295 2.223 515 HA TRP 70 HA TRP 70 -5.066 -11.864 -0.125 516 HB2 TRP 70 HB2 TRP 70 -7.491 -12.002 0.480 517 HB3 TRP 70 HB1 TRP 70 -7.157 -11.046 1.916 518 HD1 TRP 70 HD1 TRP 70 -6.572 -10.614 -1.914 519 HE1 TRP 70 HE1 TRP 70 -7.153 -8.183 -2.528 520 HE3 TRP 70 HE3 TRP 70 -7.802 -8.880 2.735 521 HZ2 TRP 70 HZ2 TRP 70 -8.017 -5.838 -1.213 522 HZ3 TRP 70 HZ3 TRP 70 -8.497 -6.531 2.973 523 HH2 TRP 70 HH2 TRP 70 -8.602 -5.042 1.037 524 H THR 71 HN THR 71 -5.236 -11.338 3.360 525 HA THR 71 HA THR 71 -3.775 -8.880 3.323 526 HB THR 71 HB THR 71 -4.418 -10.632 5.708 527 HG1 THR 71 HG1 THR 71 -6.430 -9.984 5.522 528 HG21 THR 71 HG21 THR 71 -4.377 -8.491 6.932 529 HG22 THR 71 HG22 THR 71 -3.897 -7.663 5.452 530 HG23 THR 71 HG23 THR 71 -2.820 -8.849 6.187 531 H ASP 72 HN ASP 72 -2.869 -12.075 3.057 532 HA ASP 72 HA ASP 72 -0.843 -12.707 4.706 533 HB2 ASP 72 HB2 ASP 72 -1.576 -14.226 2.994 534 HB3 ASP 72 HB1 ASP 72 -0.989 -13.164 1.725 535 H MET 73 HN MET 73 -0.684 -10.202 2.302 536 HA MET 73 HA MET 73 2.137 -9.928 2.166 537 HB2 MET 73 HB2 MET 73 -0.089 -7.933 1.657 538 HB3 MET 73 HB1 MET 73 1.610 -7.600 1.345 539 HG2 MET 73 HG2 MET 73 0.020 -9.816 0.061 540 HG3 MET 73 HG1 MET 73 0.370 -8.252 -0.675 541 HE1 MET 73 HE1 MET 73 4.290 -8.405 -1.008 542 HE2 MET 73 HE2 MET 73 3.359 -7.730 0.328 543 HE3 MET 73 HE3 MET 73 2.844 -7.449 -1.336 544 H VAL 74 HN VAL 74 2.457 -10.293 4.513 545 HA VAL 74 HA VAL 74 1.909 -8.084 6.291 546 HB VAL 74 HB VAL 74 1.737 -10.291 7.242 547 HG11 VAL 74 HG11 VAL 74 3.644 -11.828 7.394 548 HG12 VAL 74 HG12 VAL 74 4.617 -10.715 6.433 549 HG13 VAL 74 HG13 VAL 74 3.205 -11.497 5.717 550 HG21 VAL 74 HG21 VAL 74 2.558 -8.589 8.773 551 HG22 VAL 74 HG22 VAL 74 4.221 -8.900 8.277 552 HG23 VAL 74 HG23 VAL 74 3.312 -10.139 9.144 553 HA PRO 75 HA PRO 75 5.724 -5.969 5.347 554 HB2 PRO 75 HB2 PRO 75 5.390 -4.701 7.999 555 HB3 PRO 75 HB1 PRO 75 5.426 -3.957 6.399 556 HG2 PRO 75 HG2 PRO 75 3.147 -4.134 7.809 557 HG3 PRO 75 HG1 PRO 75 3.159 -4.301 6.041 558 HD2 PRO 75 HD2 PRO 75 3.013 -6.441 8.144 559 HD3 PRO 75 HD1 PRO 75 2.113 -6.298 6.618 560 H ALA 76 HN ALA 76 7.653 -5.164 7.016 561 HA ALA 76 HA ALA 76 9.133 -7.464 7.573 562 HB1 ALA 76 HB1 ALA 76 9.538 -4.707 8.734 563 HB2 ALA 76 HB2 ALA 76 10.118 -5.245 7.158 564 HB3 ALA 76 HB3 ALA 76 10.745 -5.990 8.630 565 H SER 77 HN SER 77 6.652 -6.018 9.373 566 HA SER 77 HA SER 77 7.371 -6.473 12.008 567 HB2 SER 77 HB2 SER 77 4.594 -6.650 10.831 568 HB3 SER 77 HB1 SER 77 5.012 -6.294 12.509 569 HG SER 77 HG SER 77 6.176 -4.428 11.633 570 H VAL 78 HN VAL 78 6.472 -8.741 9.558 571 HA VAL 78 HA VAL 78 5.635 -10.911 11.093 572 HB VAL 78 HB VAL 78 5.590 -10.977 8.649 573 HG11 VAL 78 HG11 VAL 78 7.637 -11.367 7.337 574 HG12 VAL 78 HG12 VAL 78 8.605 -11.126 8.793 575 HG13 VAL 78 HG13 VAL 78 7.648 -9.796 8.140 576 HG21 VAL 78 HG21 VAL 78 6.397 -13.268 8.307 577 HG22 VAL 78 HG22 VAL 78 5.566 -13.106 9.853 578 HG23 VAL 78 HG23 VAL 78 7.327 -13.167 9.801 579 H ARG 79 HN ARG 79 8.897 -9.755 10.363 580 HA ARG 79 HA ARG 79 10.343 -11.831 11.632 581 HB2 ARG 79 HB2 ARG 79 11.034 -8.956 10.986 582 HB3 ARG 79 HB1 ARG 79 12.189 -10.065 11.713 583 HG2 ARG 79 HG2 ARG 79 10.802 -10.655 9.105 584 HG3 ARG 79 HG1 ARG 79 12.325 -9.767 9.202 585 HD2 ARG 79 HD2 ARG 79 11.850 -12.560 10.258 586 HD3 ARG 79 HD1 ARG 79 12.680 -12.161 8.752 587 HE ARG 79 HE ARG 79 13.743 -11.028 11.233 588 HH11 ARG 79 HH11 ARG 79 14.056 -13.453 8.704 589 HH12 ARG 79 HH12 ARG 79 15.735 -13.740 9.034 590 HH21 ARG 79 HH21 ARG 79 15.941 -11.442 11.662 591 HH22 ARG 79 HH22 ARG 79 16.799 -12.615 10.704 592 H GLU 80 HN GLU 80 8.950 -8.823 12.752 593 HA GLU 80 HA GLU 80 10.185 -8.624 15.271 594 HB2 GLU 80 HB2 GLU 80 8.795 -6.873 14.030 595 HB3 GLU 80 HB1 GLU 80 7.370 -7.733 14.587 596 HG2 GLU 80 HG2 GLU 80 7.502 -6.148 16.207 597 HG3 GLU 80 HG1 GLU 80 8.515 -7.386 16.950 598 H HIS 81 HN HIS 81 7.367 -10.366 14.127 599 HA HIS 81 HA HIS 81 6.414 -10.988 16.783 600 HB2 HIS 81 HB2 HIS 81 4.944 -10.500 14.751 601 HB3 HIS 81 HB1 HIS 81 5.357 -12.117 14.190 602 HD1 HIS 81 HD1 HIS 81 3.146 -10.288 16.457 603 HD2 HIS 81 HD2 HIS 81 4.357 -14.226 15.915 604 HE1 HIS 81 HE1 HIS 81 1.493 -11.685 17.739 605 HE2 HIS 81 HE2 HIS 81 2.374 -14.041 17.569 606 H LEU 82 HN LEU 82 8.246 -12.603 14.272 607 HA LEU 82 HA LEU 82 7.786 -15.275 14.851 608 HB2 LEU 82 HB2 LEU 82 10.377 -13.969 13.992 609 HB3 LEU 82 HB1 LEU 82 10.105 -15.701 14.000 610 HG LEU 82 HG LEU 82 8.619 -13.688 12.302 611 HD11 LEU 82 HD11 LEU 82 9.776 -14.734 10.423 612 HD12 LEU 82 HD12 LEU 82 10.670 -15.767 11.539 613 HD13 LEU 82 HD13 LEU 82 10.914 -14.021 11.563 614 HD21 LEU 82 HD21 LEU 82 8.398 -16.699 12.380 615 HD22 LEU 82 HD22 LEU 82 7.610 -15.641 11.210 616 HD23 LEU 82 HD23 LEU 82 7.170 -15.552 12.915 617 H ASN 83 HN ASN 83 10.154 -13.100 16.327 618 HA ASN 83 HA ASN 83 10.169 -14.703 18.752 619 HB2 ASN 83 HB2 ASN 83 11.973 -15.765 17.521 620 HB3 ASN 83 HB1 ASN 83 12.667 -14.200 17.104 621 HD21 ASN 83 HD21 ASN 83 13.780 -13.030 18.681 622 HD22 ASN 83 HD22 ASN 83 14.342 -13.762 20.144 623 H GLN 84 HN GLN 84 9.769 -13.211 20.267 624 HA GLN 84 HA GLN 84 10.179 -10.441 19.878 625 HB2 GLN 84 HB2 GLN 84 8.441 -11.365 21.388 626 HB3 GLN 84 HB1 GLN 84 9.701 -11.908 22.487 627 HG2 GLN 84 HG2 GLN 84 10.334 -9.676 23.002 628 HG3 GLN 84 HG1 GLN 84 9.328 -9.026 21.707 629 HE21 GLN 84 HE21 GLN 84 7.094 -8.940 21.989 630 HE22 GLN 84 HE22 GLN 84 6.360 -9.068 23.549 631 H HIS 85 HN HIS 85 12.292 -10.221 19.286 632 HA HIS 85 HA HIS 85 14.543 -11.063 20.754 633 HB2 HIS 85 HB2 HIS 85 15.802 -9.531 19.334 634 HB3 HIS 85 HB1 HIS 85 14.601 -10.388 18.371 635 HD1 HIS 85 HD1 HIS 85 15.996 -7.273 18.335 636 HD2 HIS 85 HD2 HIS 85 12.034 -8.502 18.605 637 HE1 HIS 85 HE1 HIS 85 14.626 -5.313 17.566 638 HE2 HIS 85 HE2 HIS 85 12.252 -6.151 17.557 639 H SER 86 HN SER 86 16.166 -9.502 21.673 640 HA SER 86 HA SER 86 15.101 -8.147 23.891 641 HB2 SER 86 HB2 SER 86 17.523 -7.223 24.031 642 HB3 SER 86 HB1 SER 86 17.291 -8.965 24.158 643 HG SER 86 HG SER 86 18.185 -7.479 21.912 644 H GLY 87 HN GLY 87 13.627 -6.608 23.278 645 HA2 GLY 87 HA2 GLY 87 14.448 -3.990 22.880 646 HA3 GLY 87 HA1 GLY 87 14.090 -4.641 21.284 647 HA PRO 88 HA PRO 88 9.990 -3.301 22.749 648 HB2 PRO 88 HB2 PRO 88 9.059 -2.398 20.408 649 HB3 PRO 88 HB1 PRO 88 10.245 -1.472 21.337 650 HG2 PRO 88 HG2 PRO 88 10.659 -3.215 18.940 651 HG3 PRO 88 HG1 PRO 88 11.388 -1.645 19.318 652 HD2 PRO 88 HD2 PRO 88 12.620 -4.097 19.735 653 HD3 PRO 88 HD1 PRO 88 13.049 -2.593 20.575 654 H GLY 89 HN GLY 89 7.820 -4.000 22.201 655 HA2 GLY 89 HA2 GLY 89 7.658 -6.378 20.459 656 HA3 GLY 89 HA1 GLY 89 6.987 -6.406 22.086 657 H ILE 90 HN ILE 90 4.929 -6.879 21.099 658 HA ILE 90 HA ILE 90 2.867 -6.392 20.291 659 HB ILE 90 HB ILE 90 3.539 -3.538 21.063 660 HG12 ILE 90 HG12 ILE 90 2.245 -5.719 22.737 661 HG13 ILE 90 HG11 ILE 90 3.905 -5.162 22.920 662 HG21 ILE 90 HG21 ILE 90 0.871 -4.930 20.741 663 HG22 ILE 90 HG22 ILE 90 1.543 -3.701 19.669 664 HG23 ILE 90 HG23 ILE 90 1.102 -3.281 21.322 665 HD11 ILE 90 HD11 ILE 90 3.077 -2.932 23.509 666 HD12 ILE 90 HD12 ILE 90 2.484 -4.182 24.605 667 HD13 ILE 90 HD13 ILE 90 1.422 -3.523 23.362 668 H ASP 91 HN ASP 91 3.379 -6.922 18.170 669 HA ASP 91 HA ASP 91 4.251 -4.769 16.363 670 HB2 ASP 91 HB2 ASP 91 4.885 -6.612 14.842 671 HB3 ASP 91 HB1 ASP 91 5.665 -6.770 16.415 672 H TYR 92 HN TYR 92 3.437 -5.192 14.039 673 HA TYR 92 HA TYR 92 0.570 -5.870 14.056 674 HB2 TYR 92 HB2 TYR 92 0.782 -3.573 13.451 675 HB3 TYR 92 HB1 TYR 92 2.107 -3.913 12.346 676 HD1 TYR 92 HD1 TYR 92 -1.478 -4.886 12.854 677 HD2 TYR 92 HD2 TYR 92 1.619 -3.970 10.075 678 HE1 TYR 92 HE1 TYR 92 -3.075 -5.122 11.000 679 HE2 TYR 92 HE2 TYR 92 0.028 -4.202 8.217 680 HH TYR 92 HH TYR 92 -2.062 -5.202 7.696 681 H ALA 93 HN ALA 93 0.866 -8.028 13.702 682 HA ALA 93 HA ALA 93 2.145 -8.853 11.188 683 HB1 ALA 93 HB1 ALA 93 1.228 -10.528 13.532 684 HB2 ALA 93 HB2 ALA 93 2.890 -10.051 13.186 685 HB3 ALA 93 HB3 ALA 93 2.038 -11.137 12.088 686 H VAL 94 HN VAL 94 0.966 -10.755 10.113 687 HA VAL 94 HA VAL 94 -1.756 -9.981 9.581 688 HB VAL 94 HB VAL 94 -0.301 -10.765 7.751 689 HG11 VAL 94 HG11 VAL 94 1.016 -12.422 8.967 690 HG12 VAL 94 HG12 VAL 94 0.281 -13.135 7.530 691 HG13 VAL 94 HG13 VAL 94 -0.404 -13.457 9.125 692 HG21 VAL 94 HG21 VAL 94 -2.716 -10.966 7.510 693 HG22 VAL 94 HG22 VAL 94 -2.678 -12.568 8.252 694 HG23 VAL 94 HG23 VAL 94 -1.900 -12.297 6.690 695 H ARG 95 HN ARG 95 -3.600 -11.126 10.123 696 HA ARG 95 HA ARG 95 -3.502 -12.461 12.629 697 HB2 ARG 95 HB2 ARG 95 -5.711 -11.823 10.687 698 HB3 ARG 95 HB1 ARG 95 -6.015 -12.859 12.076 699 HG2 ARG 95 HG2 ARG 95 -6.641 -10.543 12.518 700 HG3 ARG 95 HG1 ARG 95 -5.345 -11.078 13.586 701 HD2 ARG 95 HD2 ARG 95 -4.895 -8.830 12.818 702 HD3 ARG 95 HD1 ARG 95 -3.708 -9.937 12.129 703 HE ARG 95 HE ARG 95 -5.882 -9.599 10.339 704 HH11 ARG 95 HH11 ARG 95 -3.004 -7.988 11.524 705 HH12 ARG 95 HH12 ARG 95 -2.885 -6.932 10.156 706 HH21 ARG 95 HH21 ARG 95 -5.728 -8.218 8.549 707 HH22 ARG 95 HH22 ARG 95 -4.443 -7.054 8.460 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -2.656 6.168 -12.646 2 H2 MET 1 HT2 MET 1 -2.647 7.194 -11.305 3 H3 MET 1 HT3 MET 1 -3.207 5.608 -11.151 4 HA MET 1 HA MET 1 -0.435 6.332 -11.875 5 HB2 MET 1 HB2 MET 1 -1.597 5.501 -9.200 6 HB3 MET 1 HB1 MET 1 0.126 5.530 -9.555 7 HG2 MET 1 HG2 MET 1 -1.724 7.909 -9.597 8 HG3 MET 1 HG1 MET 1 -0.567 7.513 -8.326 9 HE1 MET 1 HE1 MET 1 0.405 9.991 -8.548 10 HE2 MET 1 HE2 MET 1 -0.714 10.354 -9.862 11 HE3 MET 1 HE3 MET 1 1.010 10.674 -10.056 12 H ALA 2 HN ALA 2 0.716 4.665 -12.638 13 HA ALA 2 HA ALA 2 -0.279 1.931 -12.195 14 HB1 ALA 2 HB1 ALA 2 0.110 1.364 -14.536 15 HB2 ALA 2 HB2 ALA 2 0.573 3.032 -14.876 16 HB3 ALA 2 HB3 ALA 2 -1.081 2.656 -14.391 17 H HIS 3 HN HIS 3 1.361 1.482 -10.757 18 HA HIS 3 HA HIS 3 4.063 1.321 -11.941 19 HB2 HIS 3 HB2 HIS 3 3.281 1.910 -9.077 20 HB3 HIS 3 HB1 HIS 3 4.908 1.429 -9.544 21 HD1 HIS 3 HD1 HIS 3 3.736 4.282 -8.380 22 HD2 HIS 3 HD2 HIS 3 5.206 3.421 -12.173 23 HE1 HIS 3 HE1 HIS 3 4.502 6.480 -9.327 24 HE2 HIS 3 HE2 HIS 3 5.510 5.913 -11.562 25 H HIS 4 HN HIS 4 2.238 -0.038 -9.196 26 HA HIS 4 HA HIS 4 2.741 -2.738 -10.160 27 HB2 HIS 4 HB2 HIS 4 3.777 -1.721 -7.500 28 HB3 HIS 4 HB1 HIS 4 3.627 -3.428 -7.895 29 HD1 HIS 4 HD1 HIS 4 5.962 -0.668 -8.064 30 HD2 HIS 4 HD2 HIS 4 5.301 -4.154 -10.235 31 HE1 HIS 4 HE1 HIS 4 8.087 -1.085 -9.333 32 HE2 HIS 4 HE2 HIS 4 7.713 -3.264 -10.536 33 H HIS 5 HN HIS 5 1.328 -4.257 -9.356 34 HA HIS 5 HA HIS 5 -0.373 -3.784 -7.128 35 HB2 HIS 5 HB2 HIS 5 -2.536 -4.061 -8.534 36 HB3 HIS 5 HB1 HIS 5 -1.801 -2.470 -8.432 37 HD1 HIS 5 HD1 HIS 5 -2.192 -1.368 -10.598 38 HD2 HIS 5 HD2 HIS 5 -1.125 -5.361 -11.092 39 HE1 HIS 5 HE1 HIS 5 -2.030 -1.727 -13.076 40 HE2 HIS 5 HE2 HIS 5 -1.369 -4.136 -13.359 41 H HIS 6 HN HIS 6 0.117 -5.697 -6.283 42 HA HIS 6 HA HIS 6 0.100 -8.075 -7.989 43 HB2 HIS 6 HB2 HIS 6 1.144 -9.198 -5.968 44 HB3 HIS 6 HB1 HIS 6 2.102 -7.941 -6.734 45 HD1 HIS 6 HD1 HIS 6 -0.259 -8.272 -3.757 46 HD2 HIS 6 HD2 HIS 6 3.097 -6.137 -4.966 47 HE1 HIS 6 HE1 HIS 6 0.432 -6.909 -1.759 48 HE2 HIS 6 HE2 HIS 6 2.338 -5.482 -2.578 49 H HIS 7 HN HIS 7 -1.883 -8.840 -8.233 50 HA HIS 7 HA HIS 7 -3.774 -9.003 -6.033 51 HB2 HIS 7 HB2 HIS 7 -4.607 -8.428 -8.255 52 HB3 HIS 7 HB1 HIS 7 -3.930 -9.904 -8.927 53 HD1 HIS 7 HD1 HIS 7 -5.370 -11.973 -8.846 54 HD2 HIS 7 HD2 HIS 7 -6.894 -8.864 -6.542 55 HE1 HIS 7 HE1 HIS 7 -7.681 -12.695 -8.182 56 HE2 HIS 7 HE2 HIS 7 -8.647 -10.730 -6.944 57 H HIS 8 HN HIS 8 -4.203 -10.797 -4.857 58 HA HIS 8 HA HIS 8 -3.274 -13.410 -5.793 59 HB2 HIS 8 HB2 HIS 8 -1.500 -12.444 -4.296 60 HB3 HIS 8 HB1 HIS 8 -2.686 -12.385 -2.998 61 HD1 HIS 8 HD1 HIS 8 -1.674 -14.102 -1.452 62 HD2 HIS 8 HD2 HIS 8 -2.164 -15.528 -5.330 63 HE1 HIS 8 HE1 HIS 8 -1.131 -16.551 -1.349 64 HE2 HIS 8 HE2 HIS 8 -1.307 -17.366 -3.725 65 H MET 9 HN MET 9 -4.913 -14.780 -5.659 66 HA MET 9 HA MET 9 -6.692 -14.898 -3.415 67 HB2 MET 9 HB2 MET 9 -7.742 -13.023 -4.531 68 HB3 MET 9 HB1 MET 9 -7.717 -13.862 -6.073 69 HG2 MET 9 HG2 MET 9 -9.277 -14.852 -3.698 70 HG3 MET 9 HG1 MET 9 -9.942 -13.740 -4.892 71 HE1 MET 9 HE1 MET 9 -11.956 -15.355 -5.465 72 HE2 MET 9 HE2 MET 9 -11.380 -16.462 -4.217 73 HE3 MET 9 HE3 MET 9 -11.757 -17.072 -5.828 74 H GLY 10 HN GLY 10 -7.141 -16.988 -3.154 75 HA2 GLY 10 HA2 GLY 10 -8.336 -18.732 -4.831 76 HA3 GLY 10 HA1 GLY 10 -6.643 -18.873 -5.287 77 H THR 11 HN THR 11 -7.579 -21.108 -4.512 78 HA THR 11 HA THR 11 -7.354 -22.871 -3.150 79 HB THR 11 HB THR 11 -5.412 -22.924 -1.600 80 HG1 THR 11 HG1 THR 11 -5.681 -20.373 -1.441 81 HG21 THR 11 HG21 THR 11 -4.848 -21.760 -4.335 82 HG22 THR 11 HG22 THR 11 -5.081 -23.466 -3.952 83 HG23 THR 11 HG23 THR 11 -3.677 -22.607 -3.322 84 H LEU 12 HN LEU 12 -7.596 -23.783 -1.023 85 HA LEU 12 HA LEU 12 -8.696 -21.998 1.049 86 HB2 LEU 12 HB2 LEU 12 -9.876 -24.572 -0.010 87 HB3 LEU 12 HB1 LEU 12 -10.199 -24.052 1.628 88 HG LEU 12 HG LEU 12 -12.073 -23.430 0.336 89 HD11 LEU 12 HD11 LEU 12 -11.354 -21.745 1.944 90 HD12 LEU 12 HD12 LEU 12 -12.163 -21.022 0.555 91 HD13 LEU 12 HD13 LEU 12 -10.404 -20.947 0.688 92 HD21 LEU 12 HD21 LEU 12 -11.070 -23.604 -1.887 93 HD22 LEU 12 HD22 LEU 12 -10.230 -22.074 -1.628 94 HD23 LEU 12 HD23 LEU 12 -11.992 -22.112 -1.700 95 H GLU 13 HN GLU 13 -8.910 -23.463 3.150 96 HA GLU 13 HA GLU 13 -8.058 -24.855 4.724 97 HB2 GLU 13 HB2 GLU 13 -7.088 -26.413 2.319 98 HB3 GLU 13 HB1 GLU 13 -7.294 -27.047 3.947 99 HG2 GLU 13 HG2 GLU 13 -9.622 -26.980 3.817 100 HG3 GLU 13 HG1 GLU 13 -9.612 -25.838 2.472 101 H ALA 14 HN ALA 14 -6.227 -22.787 3.234 102 HA ALA 14 HA ALA 14 -3.583 -23.799 3.846 103 HB1 ALA 14 HB1 ALA 14 -4.490 -21.050 2.966 104 HB2 ALA 14 HB2 ALA 14 -3.900 -22.339 1.916 105 HB3 ALA 14 HB3 ALA 14 -2.814 -21.593 3.087 106 H GLN 15 HN GLN 15 -2.483 -23.470 5.705 107 HA GLN 15 HA GLN 15 -2.969 -21.304 7.497 108 HB2 GLN 15 HB2 GLN 15 -3.728 -22.738 9.430 109 HB3 GLN 15 HB1 GLN 15 -4.924 -22.521 8.161 110 HG2 GLN 15 HG2 GLN 15 -5.082 -24.776 8.747 111 HG3 GLN 15 HG1 GLN 15 -4.153 -24.768 7.251 112 HE21 GLN 15 HE21 GLN 15 -3.192 -26.743 7.645 113 HE22 GLN 15 HE22 GLN 15 -1.994 -26.975 8.866 114 H THR 16 HN THR 16 -1.556 -21.399 9.397 115 HA THR 16 HA THR 16 0.811 -23.089 8.929 116 HB THR 16 HB THR 16 2.019 -21.366 10.330 117 HG1 THR 16 HG1 THR 16 0.565 -19.266 10.069 118 HG21 THR 16 HG21 THR 16 2.159 -19.688 8.534 119 HG22 THR 16 HG22 THR 16 0.705 -20.357 7.794 120 HG23 THR 16 HG23 THR 16 2.175 -21.328 7.882 121 H GLN 17 HN GLN 17 -1.377 -21.853 11.431 122 HA GLN 17 HA GLN 17 -0.828 -24.222 13.048 123 HB2 GLN 17 HB2 GLN 17 0.727 -22.470 13.880 124 HB3 GLN 17 HB1 GLN 17 -0.648 -21.417 14.190 125 HG2 GLN 17 HG2 GLN 17 -1.491 -22.921 15.872 126 HG3 GLN 17 HG1 GLN 17 -0.246 -24.108 15.489 127 HE21 GLN 17 HE21 GLN 17 0.537 -24.116 17.597 128 HE22 GLN 17 HE22 GLN 17 1.433 -22.794 18.258 129 H GLY 18 HN GLY 18 -2.560 -24.835 14.350 130 HA2 GLY 18 HA2 GLY 18 -5.098 -23.930 13.322 131 HA3 GLY 18 HA1 GLY 18 -4.821 -25.288 14.397 132 HA PRO 19 HA PRO 19 -7.025 -22.346 17.049 133 HB2 PRO 19 HB2 PRO 19 -7.778 -24.160 18.933 134 HB3 PRO 19 HB1 PRO 19 -8.612 -23.988 17.382 135 HG2 PRO 19 HG2 PRO 19 -6.538 -25.993 18.206 136 HG3 PRO 19 HG1 PRO 19 -8.041 -26.248 17.298 137 HD2 PRO 19 HD2 PRO 19 -5.618 -26.076 16.088 138 HD3 PRO 19 HD1 PRO 19 -7.114 -25.519 15.311 139 H GLY 20 HN GLY 20 -5.240 -21.155 17.755 140 HA2 GLY 20 HA2 GLY 20 -3.756 -22.223 20.072 141 HA3 GLY 20 HA1 GLY 20 -3.275 -20.844 19.091 142 H SER 21 HN SER 21 -6.558 -21.259 20.164 143 HA SER 21 HA SER 21 -6.286 -19.450 22.404 144 HB2 SER 21 HB2 SER 21 -7.947 -18.629 19.996 145 HB3 SER 21 HB1 SER 21 -7.764 -17.727 21.500 146 HG SER 21 HG SER 21 -5.341 -18.059 20.743 147 H MET 22 HN MET 22 -8.490 -19.032 23.404 148 HA MET 22 HA MET 22 -9.996 -21.527 23.430 149 HB2 MET 22 HB2 MET 22 -10.294 -19.047 25.153 150 HB3 MET 22 HB1 MET 22 -11.115 -20.581 25.407 151 HG2 MET 22 HG2 MET 22 -8.994 -21.672 25.855 152 HG3 MET 22 HG1 MET 22 -8.131 -20.169 25.525 153 HE1 MET 22 HE1 MET 22 -7.689 -21.816 28.229 154 HE2 MET 22 HE2 MET 22 -7.696 -20.502 29.405 155 HE3 MET 22 HE3 MET 22 -6.874 -20.297 27.858 156 H ASP 23 HN ASP 23 -11.503 -21.704 21.875 157 HA ASP 23 HA ASP 23 -13.117 -19.327 21.195 158 HB2 ASP 23 HB2 ASP 23 -13.385 -20.225 18.978 159 HB3 ASP 23 HB1 ASP 23 -11.670 -20.225 19.368 160 H ASP 24 HN ASP 24 -15.137 -20.701 19.752 161 HA ASP 24 HA ASP 24 -16.482 -22.220 21.869 162 HB2 ASP 24 HB2 ASP 24 -16.939 -19.851 22.309 163 HB3 ASP 24 HB1 ASP 24 -17.540 -19.648 20.670 164 H GLU 25 HN GLU 25 -17.962 -20.590 19.078 165 HA GLU 25 HA GLU 25 -18.868 -23.170 18.061 166 HB2 GLU 25 HB2 GLU 25 -19.548 -20.318 17.313 167 HB3 GLU 25 HB1 GLU 25 -20.217 -21.727 16.495 168 HG2 GLU 25 HG2 GLU 25 -20.497 -21.308 19.458 169 HG3 GLU 25 HG1 GLU 25 -21.630 -20.626 18.297 170 H LEU 26 HN LEU 26 -18.848 -23.490 15.656 171 HA LEU 26 HA LEU 26 -16.148 -23.082 14.672 172 HB2 LEU 26 HB2 LEU 26 -18.511 -24.641 13.633 173 HB3 LEU 26 HB1 LEU 26 -17.060 -24.423 12.677 174 HG LEU 26 HG LEU 26 -16.992 -26.581 13.717 175 HD11 LEU 26 HD11 LEU 26 -14.896 -26.427 14.993 176 HD12 LEU 26 HD12 LEU 26 -15.077 -24.673 15.046 177 HD13 LEU 26 HD13 LEU 26 -14.867 -25.496 13.497 178 HD21 LEU 26 HD21 LEU 26 -17.007 -26.894 16.141 179 HD22 LEU 26 HD22 LEU 26 -18.513 -26.164 15.589 180 HD23 LEU 26 HD23 LEU 26 -17.287 -25.167 16.372 181 H TYR 27 HN TYR 27 -15.788 -22.386 12.445 182 HA TYR 27 HA TYR 27 -17.736 -20.427 11.460 183 HB2 TYR 27 HB2 TYR 27 -14.827 -19.962 12.110 184 HB3 TYR 27 HB1 TYR 27 -15.631 -19.001 10.873 185 HD1 TYR 27 HD1 TYR 27 -15.843 -19.957 14.471 186 HD2 TYR 27 HD2 TYR 27 -16.915 -17.135 11.467 187 HE1 TYR 27 HE1 TYR 27 -16.722 -18.452 16.206 188 HE2 TYR 27 HE2 TYR 27 -17.797 -15.623 13.191 189 HH TYR 27 HH TYR 27 -18.696 -15.809 15.513 190 H PHE 28 HN PHE 28 -17.761 -20.114 9.293 191 HA PHE 28 HA PHE 28 -15.970 -21.744 7.606 192 HB2 PHE 28 HB2 PHE 28 -18.892 -21.292 7.513 193 HB3 PHE 28 HB1 PHE 28 -18.088 -21.071 5.966 194 HD1 PHE 28 HD1 PHE 28 -15.983 -23.129 6.103 195 HD2 PHE 28 HD2 PHE 28 -20.063 -23.271 7.272 196 HE1 PHE 28 HE1 PHE 28 -16.010 -25.557 5.740 197 HE2 PHE 28 HE2 PHE 28 -20.076 -25.716 6.919 198 HZ PHE 28 HZ PHE 28 -18.057 -26.844 6.133 199 H VAL 29 HN VAL 29 -15.444 -20.735 5.518 200 HA VAL 29 HA VAL 29 -15.358 -17.807 5.698 201 HB VAL 29 HB VAL 29 -14.084 -19.722 3.726 202 HG11 VAL 29 HG11 VAL 29 -12.816 -17.774 2.920 203 HG12 VAL 29 HG12 VAL 29 -13.782 -16.733 3.965 204 HG13 VAL 29 HG13 VAL 29 -14.549 -17.609 2.639 205 HG21 VAL 29 HG21 VAL 29 -13.080 -19.882 5.934 206 HG22 VAL 29 HG22 VAL 29 -12.860 -18.132 5.984 207 HG23 VAL 29 HG23 VAL 29 -11.965 -19.102 4.811 208 H VAL 30 HN VAL 30 -16.454 -16.520 4.172 209 HA VAL 30 HA VAL 30 -18.165 -17.929 2.249 210 HB VAL 30 HB VAL 30 -20.070 -16.450 2.771 211 HG11 VAL 30 HG11 VAL 30 -20.752 -17.560 4.850 212 HG12 VAL 30 HG12 VAL 30 -19.088 -18.089 5.111 213 HG13 VAL 30 HG13 VAL 30 -19.997 -18.682 3.719 214 HG21 VAL 30 HG21 VAL 30 -20.099 -15.185 4.884 215 HG22 VAL 30 HG22 VAL 30 -18.894 -14.571 3.753 216 HG23 VAL 30 HG23 VAL 30 -18.391 -15.563 5.122 217 H ARG 31 HN ARG 31 -18.955 -16.650 0.542 218 HA ARG 31 HA ARG 31 -17.865 -13.976 0.135 219 HB2 ARG 31 HB2 ARG 31 -16.712 -14.564 -1.950 220 HB3 ARG 31 HB1 ARG 31 -16.026 -15.478 -0.609 221 HG2 ARG 31 HG2 ARG 31 -17.387 -17.425 -1.253 222 HG3 ARG 31 HG1 ARG 31 -18.030 -16.511 -2.617 223 HD2 ARG 31 HD2 ARG 31 -15.705 -16.299 -3.494 224 HD3 ARG 31 HD1 ARG 31 -15.159 -17.346 -2.179 225 HE ARG 31 HE ARG 31 -17.293 -18.411 -3.825 226 HH11 ARG 31 HH11 ARG 31 -13.821 -18.327 -3.281 227 HH12 ARG 31 HH12 ARG 31 -13.538 -19.770 -4.197 228 HH21 ARG 31 HH21 ARG 31 -16.917 -20.279 -4.994 229 HH22 ARG 31 HH22 ARG 31 -15.298 -20.877 -5.193 230 H ASN 32 HN ASN 32 -18.969 -12.857 -1.583 231 HA ASN 32 HA ASN 32 -20.591 -14.424 -3.416 232 HB2 ASN 32 HB2 ASN 32 -22.680 -13.291 -2.983 233 HB3 ASN 32 HB1 ASN 32 -22.117 -13.987 -1.465 234 HD21 ASN 32 HD21 ASN 32 -20.948 -12.481 -0.002 235 HD22 ASN 32 HD22 ASN 32 -21.464 -10.838 0.055 236 H ASN 33 HN ASN 33 -20.719 -13.500 -5.348 237 HA ASN 33 HA ASN 33 -20.158 -12.123 -7.088 238 HB2 ASN 33 HB2 ASN 33 -22.004 -10.497 -5.349 239 HB3 ASN 33 HB1 ASN 33 -21.570 -10.016 -6.982 240 HD21 ASN 33 HD21 ASN 33 -22.298 -11.253 -8.735 241 HD22 ASN 33 HD22 ASN 33 -23.618 -12.359 -8.573 242 H GLU 34 HN GLU 34 -18.248 -11.634 -4.637 243 HA GLU 34 HA GLU 34 -17.563 -8.831 -5.227 244 HB2 GLU 34 HB2 GLU 34 -16.654 -8.703 -2.949 245 HB3 GLU 34 HB1 GLU 34 -18.353 -9.158 -2.951 246 HG2 GLU 34 HG2 GLU 34 -17.632 -11.540 -2.680 247 HG3 GLU 34 HG1 GLU 34 -15.986 -10.949 -2.459 248 H GLY 35 HN GLY 35 -16.251 -12.076 -4.968 249 HA2 GLY 35 HA2 GLY 35 -14.221 -12.896 -5.727 250 HA3 GLY 35 HA1 GLY 35 -13.796 -11.273 -6.251 251 H GLN 36 HN GLN 36 -14.810 -11.145 -3.105 252 HA GLN 36 HA GLN 36 -12.096 -11.447 -2.000 253 HB2 GLN 36 HB2 GLN 36 -14.195 -9.393 -1.232 254 HB3 GLN 36 HB1 GLN 36 -12.634 -9.598 -0.441 255 HG2 GLN 36 HG2 GLN 36 -11.503 -9.024 -2.545 256 HG3 GLN 36 HG1 GLN 36 -13.071 -8.797 -3.317 257 HE21 GLN 36 HE21 GLN 36 -12.691 -6.672 -3.804 258 HE22 GLN 36 HE22 GLN 36 -12.665 -5.425 -2.605 259 H TYR 37 HN TYR 37 -12.398 -11.509 0.612 260 HA TYR 37 HA TYR 37 -14.365 -13.667 1.011 261 HB2 TYR 37 HB2 TYR 37 -11.436 -13.622 1.667 262 HB3 TYR 37 HB1 TYR 37 -12.540 -14.668 2.558 263 HD1 TYR 37 HD2 TYR 37 -14.148 -16.082 1.084 264 HD2 TYR 37 HD1 TYR 37 -10.453 -14.478 -0.278 265 HE1 TYR 37 HE2 TYR 37 -14.100 -17.752 -0.727 266 HE2 TYR 37 HE1 TYR 37 -10.394 -16.133 -2.104 267 HH TYR 37 HH TYR 37 -11.348 -18.358 -2.608 268 H SER 38 HN SER 38 -15.330 -13.929 2.897 269 HA SER 38 HA SER 38 -14.505 -12.360 5.212 270 HB2 SER 38 HB2 SER 38 -17.374 -12.595 4.241 271 HB3 SER 38 HB1 SER 38 -16.863 -11.813 5.738 272 HG SER 38 HG SER 38 -15.478 -10.820 3.652 273 H VAL 39 HN VAL 39 -16.071 -13.276 7.152 274 HA VAL 39 HA VAL 39 -16.088 -16.211 6.851 275 HB VAL 39 HB VAL 39 -15.474 -16.422 9.240 276 HG11 VAL 39 HG11 VAL 39 -13.474 -14.878 7.573 277 HG12 VAL 39 HG12 VAL 39 -13.778 -16.615 7.474 278 HG13 VAL 39 HG13 VAL 39 -13.098 -15.921 8.949 279 HG21 VAL 39 HG21 VAL 39 -14.558 -14.511 10.457 280 HG22 VAL 39 HG22 VAL 39 -16.244 -14.224 10.021 281 HG23 VAL 39 HG23 VAL 39 -14.951 -13.444 9.107 282 H TRP 40 HN TRP 40 -17.480 -17.317 8.456 283 HA TRP 40 HA TRP 40 -19.883 -15.829 9.206 284 HB2 TRP 40 HB2 TRP 40 -20.023 -16.598 6.771 285 HB3 TRP 40 HB1 TRP 40 -20.015 -18.244 7.379 286 HD1 TRP 40 HD1 TRP 40 -22.325 -19.254 7.950 287 HE1 TRP 40 HE1 TRP 40 -24.728 -18.338 8.063 288 HE3 TRP 40 HE3 TRP 40 -21.311 -14.257 7.529 289 HZ2 TRP 40 HZ2 TRP 40 -26.016 -15.838 7.999 290 HZ3 TRP 40 HZ3 TRP 40 -23.190 -12.668 7.565 291 HH2 TRP 40 HH2 TRP 40 -25.496 -13.444 7.798 292 H MET 41 HN MET 41 -21.312 -17.156 10.565 293 HA MET 41 HA MET 41 -19.736 -18.922 12.260 294 HB2 MET 41 HB2 MET 41 -21.484 -16.991 12.892 295 HB3 MET 41 HB1 MET 41 -22.614 -18.335 12.826 296 HG2 MET 41 HG2 MET 41 -21.387 -19.514 14.530 297 HG3 MET 41 HG1 MET 41 -20.121 -18.288 14.515 298 HE1 MET 41 HE1 MET 41 -21.368 -19.144 17.239 299 HE2 MET 41 HE2 MET 41 -21.699 -17.587 17.996 300 HE3 MET 41 HE3 MET 41 -20.204 -17.828 17.091 301 H ASP 42 HN ASP 42 -20.370 -21.090 12.799 302 HA ASP 42 HA ASP 42 -21.242 -22.524 10.494 303 HB2 ASP 42 HB2 ASP 42 -20.594 -24.473 11.584 304 HB3 ASP 42 HB1 ASP 42 -19.551 -23.270 12.332 305 H GLY 43 HN GLY 43 -22.961 -24.044 10.351 306 HA2 GLY 43 HA2 GLY 43 -25.094 -24.839 10.636 307 HA3 GLY 43 HA1 GLY 43 -24.998 -24.303 12.306 308 H ARG 44 HN ARG 44 -24.371 -21.808 10.120 309 HA ARG 44 HA ARG 44 -27.095 -20.750 10.506 310 HB2 ARG 44 HB2 ARG 44 -25.273 -19.559 11.721 311 HB3 ARG 44 HB1 ARG 44 -24.500 -19.218 10.179 312 HG2 ARG 44 HG2 ARG 44 -26.378 -17.855 9.496 313 HG3 ARG 44 HG1 ARG 44 -27.250 -18.269 10.974 314 HD2 ARG 44 HD2 ARG 44 -25.435 -17.207 12.294 315 HD3 ARG 44 HD1 ARG 44 -24.658 -16.725 10.786 316 HE ARG 44 HE ARG 44 -26.356 -15.156 10.417 317 HH11 ARG 44 HH11 ARG 44 -26.835 -16.910 13.413 318 HH12 ARG 44 HH12 ARG 44 -28.015 -15.794 14.023 319 HH21 ARG 44 HH21 ARG 44 -27.877 -13.667 11.241 320 HH22 ARG 44 HH22 ARG 44 -28.613 -13.956 12.786 321 H SER 45 HN SER 45 -28.249 -20.692 8.706 322 HA SER 45 HA SER 45 -27.174 -21.296 6.164 323 HB2 SER 45 HB2 SER 45 -29.902 -20.183 6.877 324 HB3 SER 45 HB1 SER 45 -29.466 -20.949 5.349 325 HG SER 45 HG SER 45 -30.299 -22.113 7.585 326 H LEU 46 HN LEU 46 -27.273 -20.073 4.246 327 HA LEU 46 HA LEU 46 -26.677 -17.224 4.668 328 HB2 LEU 46 HB2 LEU 46 -25.614 -19.277 2.740 329 HB3 LEU 46 HB1 LEU 46 -25.453 -17.565 2.419 330 HG LEU 46 HG LEU 46 -24.366 -18.924 4.890 331 HD11 LEU 46 HD11 LEU 46 -22.180 -18.721 3.849 332 HD12 LEU 46 HD12 LEU 46 -22.914 -18.070 2.384 333 HD13 LEU 46 HD13 LEU 46 -23.239 -19.735 2.873 334 HD21 LEU 46 HD21 LEU 46 -23.096 -16.833 5.144 335 HD22 LEU 46 HD22 LEU 46 -24.837 -16.559 5.212 336 HD23 LEU 46 HD23 LEU 46 -23.938 -16.157 3.747 337 HA PRO 47 HA PRO 47 -29.924 -16.296 1.732 338 HB2 PRO 47 HB2 PRO 47 -29.227 -13.774 1.050 339 HB3 PRO 47 HB1 PRO 47 -29.880 -14.173 2.643 340 HG2 PRO 47 HG2 PRO 47 -27.064 -13.639 1.826 341 HG3 PRO 47 HG1 PRO 47 -27.897 -13.207 3.327 342 HD2 PRO 47 HD2 PRO 47 -26.172 -15.367 3.012 343 HD3 PRO 47 HD1 PRO 47 -27.364 -15.198 4.315 344 H ALA 48 HN ALA 48 -30.272 -15.871 -0.523 345 HA ALA 48 HA ALA 48 -28.724 -17.399 -2.215 346 HB1 ALA 48 HB1 ALA 48 -29.998 -16.433 -4.051 347 HB2 ALA 48 HB2 ALA 48 -30.519 -15.105 -3.015 348 HB3 ALA 48 HB3 ALA 48 -31.052 -16.750 -2.672 349 H GLY 49 HN GLY 49 -26.954 -17.097 -3.395 350 HA2 GLY 49 HA2 GLY 49 -25.489 -15.748 -4.741 351 HA3 GLY 49 HA1 GLY 49 -25.891 -14.367 -3.729 352 H TRP 50 HN TRP 50 -25.650 -15.811 -1.215 353 HA TRP 50 HA TRP 50 -22.779 -15.570 -0.912 354 HB2 TRP 50 HB2 TRP 50 -25.004 -16.190 1.045 355 HB3 TRP 50 HB1 TRP 50 -23.306 -16.152 1.505 356 HD1 TRP 50 HD1 TRP 50 -25.766 -13.694 -0.268 357 HE1 TRP 50 HE1 TRP 50 -25.294 -11.332 0.641 358 HE3 TRP 50 HE3 TRP 50 -21.894 -14.803 2.879 359 HZ2 TRP 50 HZ2 TRP 50 -23.511 -10.106 2.452 360 HZ3 TRP 50 HZ3 TRP 50 -20.859 -12.978 4.162 361 HH2 TRP 50 HH2 TRP 50 -21.651 -10.678 3.953 362 H GLU 51 HN GLU 51 -21.324 -17.186 -0.549 363 HA GLU 51 HA GLU 51 -22.322 -19.944 -0.379 364 HB2 GLU 51 HB2 GLU 51 -20.749 -20.701 -2.092 365 HB3 GLU 51 HB1 GLU 51 -21.867 -19.516 -2.754 366 HG2 GLU 51 HG2 GLU 51 -20.073 -17.787 -2.355 367 HG3 GLU 51 HG1 GLU 51 -18.976 -19.127 -2.030 368 H THR 52 HN THR 52 -20.784 -21.433 0.411 369 HA THR 52 HA THR 52 -19.015 -20.201 2.391 370 HB THR 52 HB THR 52 -19.086 -22.541 3.417 371 HG1 THR 52 HG1 THR 52 -19.901 -23.926 2.007 372 HG21 THR 52 HG21 THR 52 -21.290 -22.203 4.427 373 HG22 THR 52 HG22 THR 52 -21.702 -21.045 3.164 374 HG23 THR 52 HG23 THR 52 -20.412 -20.678 4.310 375 H VAL 53 HN VAL 53 -17.054 -21.408 2.974 376 HA VAL 53 HA VAL 53 -15.736 -23.076 1.062 377 HB VAL 53 HB VAL 53 -13.806 -21.192 0.918 378 HG11 VAL 53 HG11 VAL 53 -14.715 -22.436 -0.988 379 HG12 VAL 53 HG12 VAL 53 -14.546 -20.723 -1.373 380 HG13 VAL 53 HG13 VAL 53 -16.135 -21.391 -1.003 381 HG21 VAL 53 HG21 VAL 53 -14.768 -19.013 0.392 382 HG22 VAL 53 HG22 VAL 53 -15.128 -19.478 2.054 383 HG23 VAL 53 HG23 VAL 53 -16.375 -19.607 0.812 384 H GLY 54 HN GLY 54 -13.746 -23.853 1.812 385 HA2 GLY 54 HA2 GLY 54 -12.058 -24.211 3.399 386 HA3 GLY 54 HA1 GLY 54 -12.832 -23.049 4.469 387 H GLU 55 HN GLU 55 -12.237 -24.945 5.953 388 HA GLU 55 HA GLU 55 -14.427 -26.869 6.083 389 HB2 GLU 55 HB2 GLU 55 -13.020 -28.180 7.477 390 HB3 GLU 55 HB1 GLU 55 -12.038 -27.703 6.115 391 HG2 GLU 55 HG2 GLU 55 -11.986 -26.283 8.775 392 HG3 GLU 55 HG1 GLU 55 -10.932 -27.636 8.387 393 HA PRO 56 HA PRO 56 -16.017 -24.577 9.553 394 HB2 PRO 56 HB2 PRO 56 -16.995 -26.620 11.111 395 HB3 PRO 56 HB1 PRO 56 -17.848 -25.924 9.734 396 HG2 PRO 56 HG2 PRO 56 -16.300 -28.463 9.921 397 HG3 PRO 56 HG1 PRO 56 -17.755 -28.101 8.978 398 HD2 PRO 56 HD2 PRO 56 -15.256 -28.225 7.893 399 HD3 PRO 56 HD1 PRO 56 -16.547 -27.234 7.225 400 H ALA 57 HN ALA 57 -14.429 -23.705 10.688 401 HA ALA 57 HA ALA 57 -12.892 -25.363 12.567 402 HB1 ALA 57 HB1 ALA 57 -11.552 -25.198 10.511 403 HB2 ALA 57 HB2 ALA 57 -10.787 -24.339 11.848 404 HB3 ALA 57 HB3 ALA 57 -11.641 -23.437 10.597 405 H THR 58 HN THR 58 -11.553 -23.958 14.018 406 HA THR 58 HA THR 58 -13.105 -22.120 15.400 407 HB THR 58 HB THR 58 -11.297 -23.203 16.527 408 HG1 THR 58 HG1 THR 58 -11.567 -21.258 17.453 409 HG21 THR 58 HG21 THR 58 -9.409 -21.813 14.618 410 HG22 THR 58 HG22 THR 58 -9.784 -23.536 14.629 411 HG23 THR 58 HG23 THR 58 -8.938 -22.809 15.995 412 H LYS 59 HN LYS 59 -12.975 -19.869 15.631 413 HA LYS 59 HA LYS 59 -13.010 -18.283 13.388 414 HB2 LYS 59 HB2 LYS 59 -13.920 -17.562 15.533 415 HB3 LYS 59 HB1 LYS 59 -12.310 -17.515 16.237 416 HG2 LYS 59 HG2 LYS 59 -13.029 -15.279 15.773 417 HG3 LYS 59 HG1 LYS 59 -11.717 -15.692 14.668 418 HD2 LYS 59 HD2 LYS 59 -13.315 -16.095 12.878 419 HD3 LYS 59 HD1 LYS 59 -14.658 -15.796 13.981 420 HE2 LYS 59 HE2 LYS 59 -12.548 -13.788 13.170 421 HE3 LYS 59 HE1 LYS 59 -14.204 -13.843 12.570 422 HZ1 LYS 59 HZ1 LYS 59 -13.928 -12.192 14.319 423 HZ2 LYS 59 HZ2 LYS 59 -13.420 -13.388 15.399 424 HZ3 LYS 59 HZ3 LYS 59 -15.001 -13.405 14.801 425 H GLN 60 HN GLN 60 -10.311 -18.852 15.593 426 HA GLN 60 HA GLN 60 -8.431 -17.128 14.491 427 HB2 GLN 60 HB2 GLN 60 -8.129 -19.746 15.963 428 HB3 GLN 60 HB1 GLN 60 -6.731 -18.820 15.431 429 HG2 GLN 60 HG2 GLN 60 -7.177 -18.320 17.734 430 HG3 GLN 60 HG1 GLN 60 -7.528 -16.899 16.757 431 HE21 GLN 60 HE21 GLN 60 -9.630 -19.717 17.112 432 HE22 GLN 60 HE22 GLN 60 -10.891 -18.881 17.946 433 H GLN 61 HN GLN 61 -9.333 -20.387 13.508 434 HA GLN 61 HA GLN 61 -7.281 -20.641 11.518 435 HB2 GLN 61 HB2 GLN 61 -9.671 -22.227 12.344 436 HB3 GLN 61 HB1 GLN 61 -9.050 -22.481 10.718 437 HG2 GLN 61 HG2 GLN 61 -7.389 -22.728 13.226 438 HG3 GLN 61 HG1 GLN 61 -8.176 -24.078 12.407 439 HE21 GLN 61 HE21 GLN 61 -5.566 -21.797 12.300 440 HE22 GLN 61 HE22 GLN 61 -4.728 -22.512 10.973 441 H CYS 62 HN CYS 62 -10.636 -19.627 11.599 442 HA CYS 62 HA CYS 62 -11.109 -19.714 8.818 443 HB2 CYS 62 HB2 CYS 62 -12.780 -19.621 10.792 444 HB3 CYS 62 HB1 CYS 62 -12.556 -17.877 10.722 445 HG CYS 62 HG CYS 62 -14.047 -19.924 8.456 446 H LEU 63 HN LEU 63 -10.356 -16.952 10.985 447 HA LEU 63 HA LEU 63 -10.168 -15.078 8.854 448 HB2 LEU 63 HB2 LEU 63 -9.105 -13.567 10.500 449 HB3 LEU 63 HB1 LEU 63 -10.621 -14.250 11.060 450 HG LEU 63 HG LEU 63 -9.039 -15.989 12.273 451 HD11 LEU 63 HD11 LEU 63 -6.953 -14.945 13.062 452 HD12 LEU 63 HD12 LEU 63 -7.213 -13.606 11.941 453 HD13 LEU 63 HD13 LEU 63 -6.940 -15.237 11.324 454 HD21 LEU 63 HD21 LEU 63 -10.581 -14.494 13.409 455 HD22 LEU 63 HD22 LEU 63 -9.441 -13.158 13.250 456 HD23 LEU 63 HD23 LEU 63 -9.040 -14.548 14.261 457 H GLN 64 HN GLN 64 -7.853 -17.146 10.485 458 HA GLN 64 HA GLN 64 -5.486 -16.054 9.457 459 HB2 GLN 64 HB2 GLN 64 -5.524 -17.682 11.281 460 HB3 GLN 64 HB1 GLN 64 -6.136 -18.919 10.196 461 HG2 GLN 64 HG2 GLN 64 -4.036 -18.811 8.914 462 HG3 GLN 64 HG1 GLN 64 -3.425 -17.603 10.044 463 HE21 GLN 64 HE21 GLN 64 -4.680 -18.919 12.355 464 HE22 GLN 64 HE22 GLN 64 -3.710 -20.313 12.682 465 H ARG 65 HN ARG 65 -7.699 -18.502 8.177 466 HA ARG 65 HA ARG 65 -6.156 -19.420 6.082 467 HB2 ARG 65 HB2 ARG 65 -8.286 -20.304 7.185 468 HB3 ARG 65 HB1 ARG 65 -9.153 -19.198 6.127 469 HG2 ARG 65 HG2 ARG 65 -8.411 -20.315 4.196 470 HG3 ARG 65 HG1 ARG 65 -7.236 -21.265 5.114 471 HD2 ARG 65 HD2 ARG 65 -10.234 -21.441 5.226 472 HD3 ARG 65 HD1 ARG 65 -9.100 -22.626 4.646 473 HE ARG 65 HE ARG 65 -10.063 -22.545 7.191 474 HH11 ARG 65 HH11 ARG 65 -6.797 -22.480 5.868 475 HH12 ARG 65 HH12 ARG 65 -6.146 -23.424 7.159 476 HH21 ARG 65 HH21 ARG 65 -9.177 -23.790 8.848 477 HH22 ARG 65 HH22 ARG 65 -7.479 -24.163 8.857 478 H ILE 66 HN ILE 66 -8.748 -16.953 6.083 479 HA ILE 66 HA ILE 66 -8.529 -16.416 3.302 480 HB ILE 66 HB ILE 66 -9.888 -14.371 3.792 481 HG12 ILE 66 HG12 ILE 66 -9.949 -15.412 6.637 482 HG13 ILE 66 HG11 ILE 66 -8.960 -14.049 6.132 483 HG21 ILE 66 HG21 ILE 66 -10.895 -16.974 4.935 484 HG22 ILE 66 HG22 ILE 66 -10.951 -16.481 3.243 485 HG23 ILE 66 HG23 ILE 66 -11.905 -15.613 4.447 486 HD11 ILE 66 HD11 ILE 66 -11.032 -12.882 5.421 487 HD12 ILE 66 HD12 ILE 66 -10.976 -13.242 7.148 488 HD13 ILE 66 HD13 ILE 66 -11.967 -14.230 6.073 489 H GLU 67 HN GLU 67 -7.137 -14.932 6.169 490 HA GLU 67 HA GLU 67 -5.963 -12.719 4.858 491 HB2 GLU 67 HB2 GLU 67 -5.289 -14.092 7.456 492 HB3 GLU 67 HB1 GLU 67 -4.514 -12.610 6.904 493 HG2 GLU 67 HG2 GLU 67 -7.444 -12.990 7.490 494 HG3 GLU 67 HG1 GLU 67 -6.277 -12.095 8.458 495 H GLN 68 HN GLN 68 -4.916 -16.026 5.399 496 HA GLN 68 HA GLN 68 -2.270 -15.584 4.341 497 HB2 GLN 68 HB2 GLN 68 -3.819 -18.102 4.969 498 HB3 GLN 68 HB1 GLN 68 -2.202 -18.131 4.284 499 HG2 GLN 68 HG2 GLN 68 -2.908 -16.814 6.903 500 HG3 GLN 68 HG1 GLN 68 -2.294 -18.458 6.750 501 HE21 GLN 68 HE21 GLN 68 -0.464 -17.988 7.977 502 HE22 GLN 68 HE22 GLN 68 0.844 -17.035 7.371 503 H LEU 69 HN LEU 69 -5.121 -15.402 2.848 504 HA LEU 69 HA LEU 69 -4.235 -16.726 0.370 505 HB2 LEU 69 HB2 LEU 69 -6.988 -15.688 1.085 506 HB3 LEU 69 HB1 LEU 69 -6.553 -16.458 -0.429 507 HG LEU 69 HG LEU 69 -6.626 -17.747 2.299 508 HD11 LEU 69 HD11 LEU 69 -8.393 -19.129 1.336 509 HD12 LEU 69 HD12 LEU 69 -8.275 -18.231 -0.178 510 HD13 LEU 69 HD13 LEU 69 -8.817 -17.416 1.290 511 HD21 LEU 69 HD21 LEU 69 -5.779 -18.943 -0.340 512 HD22 LEU 69 HD22 LEU 69 -6.027 -19.837 1.159 513 HD23 LEU 69 HD23 LEU 69 -4.738 -18.639 1.050 514 H TRP 70 HN TRP 70 -6.058 -13.794 1.255 515 HA TRP 70 HA TRP 70 -5.235 -12.493 -1.212 516 HB2 TRP 70 HB2 TRP 70 -7.575 -12.356 -0.356 517 HB3 TRP 70 HB1 TRP 70 -6.987 -11.487 1.056 518 HD1 TRP 70 HD1 TRP 70 -5.845 -8.988 0.493 519 HE1 TRP 70 HE1 TRP 70 -6.569 -7.260 -1.272 520 HE3 TRP 70 HE3 TRP 70 -8.596 -12.037 -2.553 521 HZ2 TRP 70 HZ2 TRP 70 -8.114 -7.192 -3.633 522 HZ3 TRP 70 HZ3 TRP 70 -9.669 -11.061 -4.538 523 HH2 TRP 70 HH2 TRP 70 -9.434 -8.688 -5.069 524 H THR 71 HN THR 71 -5.050 -11.829 2.257 525 HA THR 71 HA THR 71 -3.466 -9.459 1.838 526 HB THR 71 HB THR 71 -3.934 -10.451 4.604 527 HG1 THR 71 HG1 THR 71 -6.119 -10.178 4.534 528 HG21 THR 71 HG21 THR 71 -4.497 -7.812 3.234 529 HG22 THR 71 HG22 THR 71 -3.018 -8.203 4.110 530 HG23 THR 71 HG23 THR 71 -4.556 -8.117 4.969 531 H ASP 72 HN ASP 72 -2.758 -12.693 2.121 532 HA ASP 72 HA ASP 72 -1.096 -13.172 4.172 533 HB2 ASP 72 HB2 ASP 72 -0.176 -14.993 2.977 534 HB3 ASP 72 HB1 ASP 72 -1.822 -14.785 2.407 535 H MET 73 HN MET 73 -0.151 -11.429 1.265 536 HA MET 73 HA MET 73 2.636 -11.548 1.616 537 HB2 MET 73 HB2 MET 73 0.937 -9.457 0.237 538 HB3 MET 73 HB1 MET 73 2.692 -9.519 0.141 539 HG2 MET 73 HG2 MET 73 0.793 -11.663 -0.808 540 HG3 MET 73 HG1 MET 73 1.654 -10.511 -1.828 541 HE1 MET 73 HE1 MET 73 5.393 -11.629 -1.280 542 HE2 MET 73 HE2 MET 73 4.512 -10.404 -0.366 543 HE3 MET 73 HE3 MET 73 4.324 -10.504 -2.118 544 H VAL 74 HN VAL 74 3.129 -11.216 3.759 545 HA VAL 74 HA VAL 74 2.870 -8.445 4.734 546 HB VAL 74 HB VAL 74 1.550 -9.936 6.123 547 HG11 VAL 74 HG11 VAL 74 2.545 -11.809 7.353 548 HG12 VAL 74 HG12 VAL 74 4.079 -11.536 6.528 549 HG13 VAL 74 HG13 VAL 74 2.662 -12.043 5.608 550 HG21 VAL 74 HG21 VAL 74 4.107 -9.141 7.533 551 HG22 VAL 74 HG22 VAL 74 2.570 -9.512 8.317 552 HG23 VAL 74 HG23 VAL 74 2.704 -8.107 7.260 553 HA PRO 75 HA PRO 75 7.361 -8.545 4.626 554 HB2 PRO 75 HB2 PRO 75 7.293 -6.057 6.168 555 HB3 PRO 75 HB1 PRO 75 7.814 -6.317 4.505 556 HG2 PRO 75 HG2 PRO 75 5.555 -4.957 5.120 557 HG3 PRO 75 HG1 PRO 75 5.714 -5.927 3.643 558 HD2 PRO 75 HD2 PRO 75 4.355 -6.626 6.227 559 HD3 PRO 75 HD1 PRO 75 3.810 -6.896 4.557 560 H ALA 76 HN ALA 76 8.917 -7.350 6.660 561 HA ALA 76 HA ALA 76 9.253 -9.498 8.403 562 HB1 ALA 76 HB1 ALA 76 10.182 -6.653 8.791 563 HB2 ALA 76 HB2 ALA 76 11.017 -7.889 7.851 564 HB3 ALA 76 HB3 ALA 76 10.835 -8.083 9.594 565 H SER 77 HN SER 77 7.114 -6.800 8.627 566 HA SER 77 HA SER 77 6.701 -6.561 11.360 567 HB2 SER 77 HB2 SER 77 4.667 -6.282 9.135 568 HB3 SER 77 HB1 SER 77 4.488 -5.652 10.773 569 HG SER 77 HG SER 77 5.251 -4.032 9.398 570 H VAL 78 HN VAL 78 5.884 -9.190 9.290 571 HA VAL 78 HA VAL 78 3.739 -10.353 10.638 572 HB VAL 78 HB VAL 78 4.578 -11.217 8.493 573 HG11 VAL 78 HG11 VAL 78 6.979 -11.004 8.871 574 HG12 VAL 78 HG12 VAL 78 6.567 -12.651 8.390 575 HG13 VAL 78 HG13 VAL 78 6.918 -12.288 10.080 576 HG21 VAL 78 HG21 VAL 78 4.345 -13.610 8.967 577 HG22 VAL 78 HG22 VAL 78 3.172 -12.655 9.875 578 HG23 VAL 78 HG23 VAL 78 4.602 -13.298 10.685 579 H ARG 79 HN ARG 79 7.203 -10.460 11.322 580 HA ARG 79 HA ARG 79 6.963 -12.367 13.448 581 HB2 ARG 79 HB2 ARG 79 9.243 -10.477 12.799 582 HB3 ARG 79 HB1 ARG 79 9.328 -11.856 13.890 583 HG2 ARG 79 HG2 ARG 79 8.834 -11.954 10.913 584 HG3 ARG 79 HG1 ARG 79 10.316 -12.419 11.750 585 HD2 ARG 79 HD2 ARG 79 9.240 -14.278 12.790 586 HD3 ARG 79 HD1 ARG 79 7.647 -13.731 12.271 587 HE ARG 79 HE ARG 79 9.396 -14.241 10.063 588 HH11 ARG 79 HH11 ARG 79 7.265 -15.779 12.377 589 HH12 ARG 79 HH12 ARG 79 6.915 -17.136 11.359 590 HH21 ARG 79 HH21 ARG 79 8.936 -16.035 8.711 591 HH22 ARG 79 HH22 ARG 79 7.878 -17.286 9.282 592 H GLU 80 HN GLU 80 6.935 -8.888 13.169 593 HA GLU 80 HA GLU 80 7.069 -8.248 15.927 594 HB2 GLU 80 HB2 GLU 80 5.777 -6.781 13.612 595 HB3 GLU 80 HB1 GLU 80 6.000 -6.096 15.215 596 HG2 GLU 80 HG2 GLU 80 8.243 -7.054 13.449 597 HG3 GLU 80 HG1 GLU 80 7.697 -5.381 13.554 598 H HIS 81 HN HIS 81 4.566 -9.416 13.844 599 HA HIS 81 HA HIS 81 2.380 -8.794 15.641 600 HB2 HIS 81 HB2 HIS 81 2.281 -8.920 13.068 601 HB3 HIS 81 HB1 HIS 81 2.292 -10.667 13.265 602 HD1 HIS 81 HD1 HIS 81 0.223 -11.473 15.033 603 HD2 HIS 81 HD2 HIS 81 -0.205 -7.932 12.906 604 HE1 HIS 81 HE1 HIS 81 -2.246 -11.006 14.992 605 HE2 HIS 81 HE2 HIS 81 -2.491 -8.949 13.558 606 H LEU 82 HN LEU 82 4.804 -11.009 15.732 607 HA LEU 82 HA LEU 82 3.130 -13.161 16.869 608 HB2 LEU 82 HB2 LEU 82 5.908 -13.302 15.679 609 HB3 LEU 82 HB1 LEU 82 5.057 -14.654 16.404 610 HG LEU 82 HG LEU 82 4.152 -13.166 13.927 611 HD11 LEU 82 HD11 LEU 82 6.190 -14.443 13.516 612 HD12 LEU 82 HD12 LEU 82 4.804 -15.179 12.709 613 HD13 LEU 82 HD13 LEU 82 5.437 -15.884 14.199 614 HD21 LEU 82 HD21 LEU 82 3.094 -15.677 15.226 615 HD22 LEU 82 HD22 LEU 82 2.546 -15.000 13.692 616 HD23 LEU 82 HD23 LEU 82 2.293 -14.107 15.191 617 H ASN 83 HN ASN 83 3.655 -14.033 18.854 618 HA ASN 83 HA ASN 83 5.737 -12.666 20.432 619 HB2 ASN 83 HB2 ASN 83 3.295 -12.855 21.240 620 HB3 ASN 83 HB1 ASN 83 3.612 -14.568 21.463 621 HD21 ASN 83 HD21 ASN 83 2.900 -12.493 23.386 622 HD22 ASN 83 HD22 ASN 83 4.138 -12.507 24.591 623 H GLN 84 HN GLN 84 5.961 -14.784 18.314 624 HA GLN 84 HA GLN 84 7.012 -17.073 19.825 625 HB2 GLN 84 HB2 GLN 84 6.374 -16.823 16.871 626 HB3 GLN 84 HB1 GLN 84 6.919 -18.286 17.682 627 HG2 GLN 84 HG2 GLN 84 4.333 -16.834 18.216 628 HG3 GLN 84 HG1 GLN 84 4.516 -18.304 17.258 629 HE21 GLN 84 HE21 GLN 84 2.938 -17.839 19.655 630 HE22 GLN 84 HE22 GLN 84 3.488 -18.986 20.826 631 H HIS 85 HN HIS 85 8.920 -18.148 18.613 632 HA HIS 85 HA HIS 85 10.700 -16.491 17.126 633 HB2 HIS 85 HB2 HIS 85 11.115 -15.509 19.339 634 HB3 HIS 85 HB1 HIS 85 11.419 -17.108 20.009 635 HD1 HIS 85 HD1 HIS 85 13.822 -17.639 20.222 636 HD2 HIS 85 HD2 HIS 85 13.121 -14.957 17.129 637 HE1 HIS 85 HE1 HIS 85 16.086 -17.053 19.313 638 HE2 HIS 85 HE2 HIS 85 15.617 -15.593 17.315 639 H SER 86 HN SER 86 12.136 -17.737 16.025 640 HA SER 86 HA SER 86 13.266 -19.538 15.249 641 HB2 SER 86 HB2 SER 86 12.876 -20.694 18.024 642 HB3 SER 86 HB1 SER 86 14.061 -21.222 16.827 643 HG SER 86 HG SER 86 14.934 -19.780 18.412 644 H GLY 87 HN GLY 87 10.289 -19.348 15.245 645 HA2 GLY 87 HA2 GLY 87 9.209 -21.974 15.432 646 HA3 GLY 87 HA1 GLY 87 8.463 -20.601 14.631 647 HA PRO 88 HA PRO 88 11.089 -23.705 11.741 648 HB2 PRO 88 HB2 PRO 88 8.716 -25.513 11.904 649 HB3 PRO 88 HB1 PRO 88 10.430 -25.916 11.764 650 HG2 PRO 88 HG2 PRO 88 9.163 -26.202 14.087 651 HG3 PRO 88 HG1 PRO 88 10.830 -25.591 14.031 652 HD2 PRO 88 HD2 PRO 88 8.273 -24.094 14.464 653 HD3 PRO 88 HD1 PRO 88 9.865 -23.847 15.210 654 H GLY 89 HN GLY 89 7.659 -22.959 11.979 655 HA2 GLY 89 HA2 GLY 89 7.601 -21.614 9.477 656 HA3 GLY 89 HA1 GLY 89 6.836 -23.194 9.347 657 H ILE 90 HN ILE 90 6.888 -20.604 11.784 658 HA ILE 90 HA ILE 90 3.944 -20.787 11.926 659 HB ILE 90 HB ILE 90 5.856 -19.963 14.133 660 HG12 ILE 90 HG12 ILE 90 4.213 -22.501 13.830 661 HG13 ILE 90 HG11 ILE 90 5.963 -22.386 13.663 662 HG21 ILE 90 HG21 ILE 90 2.855 -20.341 14.179 663 HG22 ILE 90 HG22 ILE 90 3.713 -18.804 14.275 664 HG23 ILE 90 HG23 ILE 90 3.868 -19.980 15.578 665 HD11 ILE 90 HD11 ILE 90 5.311 -23.298 15.826 666 HD12 ILE 90 HD12 ILE 90 4.405 -21.826 16.179 667 HD13 ILE 90 HD13 ILE 90 6.159 -21.762 16.003 668 H ASP 91 HN ASP 91 3.191 -19.119 10.761 669 HA ASP 91 HA ASP 91 3.814 -16.455 11.722 670 HB2 ASP 91 HB2 ASP 91 4.043 -15.529 9.465 671 HB3 ASP 91 HB1 ASP 91 5.312 -16.695 9.797 672 H TYR 92 HN TYR 92 2.025 -15.271 11.928 673 HA TYR 92 HA TYR 92 -0.459 -16.240 10.712 674 HB2 TYR 92 HB2 TYR 92 -0.062 -14.059 12.788 675 HB3 TYR 92 HB1 TYR 92 -1.611 -14.674 12.219 676 HD1 TYR 92 HD1 TYR 92 -1.203 -17.589 12.267 677 HD2 TYR 92 HD2 TYR 92 0.054 -14.610 15.037 678 HE1 TYR 92 HE1 TYR 92 -1.198 -19.268 14.064 679 HE2 TYR 92 HE2 TYR 92 0.068 -16.278 16.837 680 HH TYR 92 HH TYR 92 -0.193 -19.640 16.233 681 H ALA 93 HN ALA 93 -1.469 -15.117 9.127 682 HA ALA 93 HA ALA 93 -0.066 -13.280 7.569 683 HB1 ALA 93 HB1 ALA 93 -2.174 -12.946 6.366 684 HB2 ALA 93 HB2 ALA 93 -3.037 -13.781 7.659 685 HB3 ALA 93 HB3 ALA 93 -1.860 -14.654 6.678 686 H VAL 94 HN VAL 94 -1.155 -11.102 6.939 687 HA VAL 94 HA VAL 94 -0.743 -9.487 9.281 688 HB VAL 94 HB VAL 94 0.375 -8.960 7.221 689 HG11 VAL 94 HG11 VAL 94 -1.232 -9.741 5.604 690 HG12 VAL 94 HG12 VAL 94 -0.827 -8.054 5.277 691 HG13 VAL 94 HG13 VAL 94 -2.356 -8.456 6.059 692 HG21 VAL 94 HG21 VAL 94 -0.157 -6.545 7.105 693 HG22 VAL 94 HG22 VAL 94 -0.008 -7.151 8.755 694 HG23 VAL 94 HG23 VAL 94 -1.604 -6.859 8.067 695 H ARG 95 HN ARG 95 -3.163 -10.907 9.311 696 HA ARG 95 HA ARG 95 -5.370 -9.158 9.229 697 HB2 ARG 95 HB2 ARG 95 -5.590 -11.604 9.594 698 HB3 ARG 95 HB1 ARG 95 -4.801 -11.448 11.149 699 HG2 ARG 95 HG2 ARG 95 -7.350 -9.968 10.581 700 HG3 ARG 95 HG1 ARG 95 -7.380 -11.671 11.031 701 HD2 ARG 95 HD2 ARG 95 -6.304 -9.360 12.650 702 HD3 ARG 95 HD1 ARG 95 -7.691 -10.382 13.026 703 HE ARG 95 HE ARG 95 -5.573 -12.110 12.870 704 HH11 ARG 95 HH11 ARG 95 -6.336 -9.277 14.778 705 HH12 ARG 95 HH12 ARG 95 -5.310 -9.736 16.101 706 HH21 ARG 95 HH21 ARG 95 -4.239 -12.730 14.639 707 HH22 ARG 95 HH22 ARG 95 -4.131 -11.687 16.026 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 8.471 -13.814 -22.828 2 H2 MET 1 HT2 MET 1 6.884 -14.249 -23.204 3 H3 MET 1 HT3 MET 1 7.483 -14.503 -21.643 4 HA MET 1 HA MET 1 7.690 -12.160 -21.276 5 HB2 MET 1 HB2 MET 1 6.789 -10.550 -22.913 6 HB3 MET 1 HB1 MET 1 8.154 -11.449 -23.557 7 HG2 MET 1 HG2 MET 1 6.552 -11.256 -25.282 8 HG3 MET 1 HG1 MET 1 6.522 -12.929 -24.736 9 HE1 MET 1 HE1 MET 1 4.242 -11.680 -26.548 10 HE2 MET 1 HE2 MET 1 2.789 -12.283 -25.751 11 HE3 MET 1 HE3 MET 1 4.186 -13.340 -25.953 12 H ALA 2 HN ALA 2 5.356 -14.425 -22.191 13 HA ALA 2 HA ALA 2 3.110 -12.952 -21.073 14 HB1 ALA 2 HB1 ALA 2 2.746 -14.455 -22.990 15 HB2 ALA 2 HB2 ALA 2 1.800 -14.947 -21.585 16 HB3 ALA 2 HB3 ALA 2 3.271 -15.825 -22.010 17 H HIS 3 HN HIS 3 2.089 -13.488 -19.108 18 HA HIS 3 HA HIS 3 3.900 -14.833 -17.216 19 HB2 HIS 3 HB2 HIS 3 2.598 -13.543 -15.456 20 HB3 HIS 3 HB1 HIS 3 3.591 -12.582 -16.541 21 HD1 HIS 3 HD1 HIS 3 2.363 -11.030 -18.216 22 HD2 HIS 3 HD2 HIS 3 -0.155 -13.073 -15.618 23 HE1 HIS 3 HE1 HIS 3 0.141 -9.873 -18.382 24 HE2 HIS 3 HE2 HIS 3 -1.285 -10.980 -16.629 25 H HIS 4 HN HIS 4 2.418 -16.476 -18.757 26 HA HIS 4 HA HIS 4 0.973 -18.211 -18.772 27 HB2 HIS 4 HB2 HIS 4 1.065 -19.605 -16.645 28 HB3 HIS 4 HB1 HIS 4 2.588 -19.242 -17.439 29 HD1 HIS 4 HD1 HIS 4 4.369 -18.240 -16.031 30 HD2 HIS 4 HD2 HIS 4 0.632 -18.003 -14.220 31 HE1 HIS 4 HE1 HIS 4 4.795 -17.363 -13.717 32 HE2 HIS 4 HE2 HIS 4 2.553 -17.420 -12.583 33 H HIS 5 HN HIS 5 -0.296 -15.616 -17.872 34 HA HIS 5 HA HIS 5 -2.402 -14.915 -17.462 35 HB2 HIS 5 HB2 HIS 5 -3.036 -16.529 -19.158 36 HB3 HIS 5 HB1 HIS 5 -3.049 -17.827 -17.969 37 HD1 HIS 5 HD1 HIS 5 -5.371 -18.470 -17.466 38 HD2 HIS 5 HD2 HIS 5 -5.021 -14.376 -18.091 39 HE1 HIS 5 HE1 HIS 5 -7.681 -17.540 -17.140 40 HE2 HIS 5 HE2 HIS 5 -7.425 -15.050 -17.407 41 H HIS 6 HN HIS 6 -2.667 -18.143 -15.973 42 HA HIS 6 HA HIS 6 -4.274 -17.326 -13.858 43 HB2 HIS 6 HB2 HIS 6 -4.116 -19.652 -14.552 44 HB3 HIS 6 HB1 HIS 6 -2.432 -19.719 -14.047 45 HD1 HIS 6 HD1 HIS 6 -2.150 -20.849 -11.881 46 HD2 HIS 6 HD2 HIS 6 -5.826 -18.924 -12.130 47 HE1 HIS 6 HE1 HIS 6 -3.319 -21.340 -9.711 48 HE2 HIS 6 HE2 HIS 6 -5.620 -20.356 -9.985 49 H HIS 7 HN HIS 7 -3.798 -15.935 -12.336 50 HA HIS 7 HA HIS 7 -1.083 -15.832 -11.189 51 HB2 HIS 7 HB2 HIS 7 -1.892 -13.737 -12.225 52 HB3 HIS 7 HB1 HIS 7 -3.302 -13.757 -11.175 53 HD1 HIS 7 HD1 HIS 7 -3.016 -12.867 -8.799 54 HD2 HIS 7 HD2 HIS 7 0.545 -13.049 -10.943 55 HE1 HIS 7 HE1 HIS 7 -1.338 -11.581 -7.436 56 HE2 HIS 7 HE2 HIS 7 0.769 -11.595 -8.819 57 H HIS 8 HN HIS 8 -0.902 -15.592 -8.853 58 HA HIS 8 HA HIS 8 -2.579 -17.216 -7.301 59 HB2 HIS 8 HB2 HIS 8 -0.336 -16.723 -6.547 60 HB3 HIS 8 HB1 HIS 8 -0.678 -14.999 -6.491 61 HD1 HIS 8 HD1 HIS 8 -1.017 -18.138 -4.536 62 HD2 HIS 8 HD2 HIS 8 -2.182 -14.161 -4.226 63 HE1 HIS 8 HE1 HIS 8 -1.738 -17.830 -2.149 64 HE2 HIS 8 HE2 HIS 8 -2.223 -15.366 -1.938 65 H MET 9 HN MET 9 -4.683 -16.845 -7.043 66 HA MET 9 HA MET 9 -5.557 -14.134 -6.259 67 HB2 MET 9 HB2 MET 9 -6.396 -14.674 -8.496 68 HB3 MET 9 HB1 MET 9 -7.067 -16.185 -7.904 69 HG2 MET 9 HG2 MET 9 -8.571 -14.881 -6.426 70 HG3 MET 9 HG1 MET 9 -7.952 -13.403 -7.158 71 HE1 MET 9 HE1 MET 9 -9.160 -13.779 -10.875 72 HE2 MET 9 HE2 MET 9 -7.600 -14.257 -10.207 73 HE3 MET 9 HE3 MET 9 -8.342 -12.736 -9.710 74 H GLY 10 HN GLY 10 -6.171 -17.602 -6.003 75 HA2 GLY 10 HA2 GLY 10 -6.643 -18.745 -3.992 76 HA3 GLY 10 HA1 GLY 10 -7.153 -17.224 -3.269 77 H THR 11 HN THR 11 -8.061 -19.176 -6.118 78 HA THR 11 HA THR 11 -10.746 -18.346 -6.166 79 HB THR 11 HB THR 11 -9.665 -19.366 -8.116 80 HG1 THR 11 HG1 THR 11 -12.100 -19.832 -7.295 81 HG21 THR 11 HG21 THR 11 -8.307 -21.062 -6.972 82 HG22 THR 11 HG22 THR 11 -9.292 -21.788 -8.240 83 HG23 THR 11 HG23 THR 11 -9.771 -21.956 -6.553 84 H LEU 12 HN LEU 12 -9.097 -20.838 -4.404 85 HA LEU 12 HA LEU 12 -11.391 -21.085 -2.637 86 HB2 LEU 12 HB2 LEU 12 -10.101 -23.422 -4.045 87 HB3 LEU 12 HB1 LEU 12 -10.895 -23.623 -2.494 88 HG LEU 12 HG LEU 12 -12.236 -22.622 -5.018 89 HD11 LEU 12 HD11 LEU 12 -12.451 -25.299 -3.642 90 HD12 LEU 12 HD12 LEU 12 -11.638 -24.984 -5.176 91 HD13 LEU 12 HD13 LEU 12 -13.382 -24.771 -5.043 92 HD21 LEU 12 HD21 LEU 12 -13.228 -21.697 -2.970 93 HD22 LEU 12 HD22 LEU 12 -13.427 -23.326 -2.326 94 HD23 LEU 12 HD23 LEU 12 -14.319 -22.832 -3.766 95 H GLU 13 HN GLU 13 -10.580 -22.540 -0.666 96 HA GLU 13 HA GLU 13 -8.363 -21.027 0.351 97 HB2 GLU 13 HB2 GLU 13 -8.859 -21.953 2.467 98 HB3 GLU 13 HB1 GLU 13 -10.413 -21.725 1.684 99 HG2 GLU 13 HG2 GLU 13 -8.921 -24.334 1.938 100 HG3 GLU 13 HG1 GLU 13 -10.311 -23.839 2.896 101 H ALA 14 HN ALA 14 -6.520 -21.983 1.431 102 HA ALA 14 HA ALA 14 -5.674 -24.593 0.342 103 HB1 ALA 14 HB1 ALA 14 -3.354 -23.812 0.558 104 HB2 ALA 14 HB2 ALA 14 -3.924 -22.252 1.151 105 HB3 ALA 14 HB3 ALA 14 -4.276 -22.750 -0.505 106 H GLN 15 HN GLN 15 -3.713 -25.320 1.997 107 HA GLN 15 HA GLN 15 -5.042 -25.609 4.559 108 HB2 GLN 15 HB2 GLN 15 -2.392 -26.739 3.616 109 HB3 GLN 15 HB1 GLN 15 -3.241 -27.183 5.094 110 HG2 GLN 15 HG2 GLN 15 -5.137 -27.995 3.710 111 HG3 GLN 15 HG1 GLN 15 -4.183 -27.664 2.266 112 HE21 GLN 15 HE21 GLN 15 -5.275 -30.174 3.191 113 HE22 GLN 15 HE22 GLN 15 -3.938 -31.251 3.404 114 H THR 16 HN THR 16 -4.697 -23.088 4.505 115 HA THR 16 HA THR 16 -2.117 -22.262 5.517 116 HB THR 16 HB THR 16 -3.470 -20.026 5.825 117 HG1 THR 16 HG1 THR 16 -5.334 -19.904 4.662 118 HG21 THR 16 HG21 THR 16 -3.067 -19.441 3.483 119 HG22 THR 16 HG22 THR 16 -2.916 -21.151 3.070 120 HG23 THR 16 HG23 THR 16 -1.726 -20.390 4.124 121 H GLN 17 HN GLN 17 -1.851 -23.314 7.431 122 HA GLN 17 HA GLN 17 -3.733 -22.650 9.598 123 HB2 GLN 17 HB2 GLN 17 -3.538 -25.065 9.152 124 HB3 GLN 17 HB1 GLN 17 -1.799 -24.976 9.374 125 HG2 GLN 17 HG2 GLN 17 -3.592 -24.109 11.601 126 HG3 GLN 17 HG1 GLN 17 -3.368 -25.828 11.294 127 HE21 GLN 17 HE21 GLN 17 -2.569 -24.130 13.573 128 HE22 GLN 17 HE22 GLN 17 -0.863 -24.350 13.738 129 H GLY 18 HN GLY 18 -3.006 -21.507 11.289 130 HA2 GLY 18 HA2 GLY 18 -0.102 -21.169 11.667 131 HA3 GLY 18 HA1 GLY 18 -1.160 -19.762 11.602 132 HA PRO 19 HA PRO 19 -0.728 -21.497 15.978 133 HB2 PRO 19 HB2 PRO 19 0.310 -19.266 17.145 134 HB3 PRO 19 HB1 PRO 19 1.312 -20.502 16.376 135 HG2 PRO 19 HG2 PRO 19 0.374 -17.875 15.272 136 HG3 PRO 19 HG1 PRO 19 1.986 -18.612 15.188 137 HD2 PRO 19 HD2 PRO 19 0.246 -18.717 13.120 138 HD3 PRO 19 HD1 PRO 19 1.385 -20.035 13.463 139 H GLY 20 HN GLY 20 -2.302 -21.255 17.492 140 HA2 GLY 20 HA2 GLY 20 -3.626 -18.879 18.168 141 HA3 GLY 20 HA1 GLY 20 -4.578 -19.683 16.926 142 H SER 21 HN SER 21 -6.135 -19.627 18.782 143 HA SER 21 HA SER 21 -5.803 -22.016 20.480 144 HB2 SER 21 HB2 SER 21 -7.478 -19.546 21.028 145 HB3 SER 21 HB1 SER 21 -7.311 -20.941 22.095 146 HG SER 21 HG SER 21 -5.402 -18.964 21.423 147 H MET 22 HN MET 22 -7.903 -23.107 20.996 148 HA MET 22 HA MET 22 -9.641 -23.065 18.621 149 HB2 MET 22 HB2 MET 22 -10.128 -25.424 19.052 150 HB3 MET 22 HB1 MET 22 -8.404 -25.160 18.854 151 HG2 MET 22 HG2 MET 22 -8.501 -26.645 20.618 152 HG3 MET 22 HG1 MET 22 -8.345 -25.092 21.435 153 HE1 MET 22 HE1 MET 22 -9.313 -27.764 22.896 154 HE2 MET 22 HE2 MET 22 -10.646 -27.138 23.866 155 HE3 MET 22 HE3 MET 22 -9.157 -26.209 23.712 156 H ASP 23 HN ASP 23 -11.612 -22.364 18.883 157 HA ASP 23 HA ASP 23 -12.800 -22.213 21.562 158 HB2 ASP 23 HB2 ASP 23 -13.613 -20.916 18.940 159 HB3 ASP 23 HB1 ASP 23 -14.510 -20.753 20.444 160 H ASP 24 HN ASP 24 -15.319 -22.442 21.411 161 HA ASP 24 HA ASP 24 -15.845 -25.153 20.554 162 HB2 ASP 24 HB2 ASP 24 -16.716 -24.416 22.706 163 HB3 ASP 24 HB1 ASP 24 -17.575 -23.084 21.941 164 H GLU 25 HN GLU 25 -16.712 -21.897 19.613 165 HA GLU 25 HA GLU 25 -18.776 -22.580 17.780 166 HB2 GLU 25 HB2 GLU 25 -18.545 -20.239 17.012 167 HB3 GLU 25 HB1 GLU 25 -18.629 -20.351 18.765 168 HG2 GLU 25 HG2 GLU 25 -16.104 -20.239 18.772 169 HG3 GLU 25 HG1 GLU 25 -16.207 -19.817 17.065 170 H LEU 26 HN LEU 26 -18.674 -23.212 15.689 171 HA LEU 26 HA LEU 26 -16.053 -23.144 14.340 172 HB2 LEU 26 HB2 LEU 26 -18.487 -24.866 13.868 173 HB3 LEU 26 HB1 LEU 26 -17.219 -24.706 12.670 174 HG LEU 26 HG LEU 26 -16.742 -26.699 13.781 175 HD11 LEU 26 HD11 LEU 26 -14.636 -26.318 14.945 176 HD12 LEU 26 HD12 LEU 26 -15.015 -24.600 15.075 177 HD13 LEU 26 HD13 LEU 26 -14.767 -25.333 13.488 178 HD21 LEU 26 HD21 LEU 26 -17.156 -25.268 16.406 179 HD22 LEU 26 HD22 LEU 26 -16.656 -26.948 16.217 180 HD23 LEU 26 HD23 LEU 26 -18.255 -26.439 15.676 181 H TYR 27 HN TYR 27 -15.811 -22.186 12.414 182 HA TYR 27 HA TYR 27 -18.083 -20.731 11.253 183 HB2 TYR 27 HB2 TYR 27 -15.336 -19.696 11.965 184 HB3 TYR 27 HB1 TYR 27 -16.260 -18.955 10.665 185 HD1 TYR 27 HD1 TYR 27 -17.033 -20.116 14.153 186 HD2 TYR 27 HD2 TYR 27 -17.247 -16.973 11.288 187 HE1 TYR 27 HE1 TYR 27 -18.202 -18.710 15.788 188 HE2 TYR 27 HE2 TYR 27 -18.414 -15.560 12.919 189 HH TYR 27 HH TYR 27 -18.793 -16.568 16.269 190 H PHE 28 HN PHE 28 -17.992 -20.443 9.051 191 HA PHE 28 HA PHE 28 -15.820 -21.788 7.593 192 HB2 PHE 28 HB2 PHE 28 -18.737 -21.859 7.234 193 HB3 PHE 28 HB1 PHE 28 -17.890 -21.419 5.756 194 HD1 PHE 28 HD1 PHE 28 -15.488 -22.974 5.778 195 HD2 PHE 28 HD2 PHE 28 -19.387 -24.069 7.075 196 HE1 PHE 28 HE1 PHE 28 -14.970 -25.339 5.371 197 HE2 PHE 28 HE2 PHE 28 -18.846 -26.443 6.663 198 HZ PHE 28 HZ PHE 28 -16.652 -27.066 5.792 199 H VAL 29 HN VAL 29 -15.405 -20.776 5.459 200 HA VAL 29 HA VAL 29 -15.469 -17.855 5.625 201 HB VAL 29 HB VAL 29 -14.116 -19.741 3.673 202 HG11 VAL 29 HG11 VAL 29 -14.605 -17.650 2.577 203 HG12 VAL 29 HG12 VAL 29 -12.873 -17.779 2.884 204 HG13 VAL 29 HG13 VAL 29 -13.874 -16.751 3.910 205 HG21 VAL 29 HG21 VAL 29 -12.912 -18.118 5.920 206 HG22 VAL 29 HG22 VAL 29 -12.015 -19.127 4.783 207 HG23 VAL 29 HG23 VAL 29 -13.144 -19.866 5.920 208 H VAL 30 HN VAL 30 -16.575 -16.631 3.970 209 HA VAL 30 HA VAL 30 -18.220 -18.168 2.088 210 HB VAL 30 HB VAL 30 -20.246 -16.895 2.604 211 HG11 VAL 30 HG11 VAL 30 -20.808 -17.964 4.748 212 HG12 VAL 30 HG12 VAL 30 -19.102 -18.325 5.006 213 HG13 VAL 30 HG13 VAL 30 -19.965 -19.060 3.655 214 HG21 VAL 30 HG21 VAL 30 -19.289 -14.857 3.484 215 HG22 VAL 30 HG22 VAL 30 -18.641 -15.719 4.880 216 HG23 VAL 30 HG23 VAL 30 -20.386 -15.549 4.679 217 H ARG 31 HN ARG 31 -19.280 -16.773 0.453 218 HA ARG 31 HA ARG 31 -18.323 -14.068 0.115 219 HB2 ARG 31 HB2 ARG 31 -16.986 -14.454 -1.900 220 HB3 ARG 31 HB1 ARG 31 -16.306 -15.351 -0.547 221 HG2 ARG 31 HG2 ARG 31 -17.428 -17.392 -1.357 222 HG3 ARG 31 HG1 ARG 31 -18.036 -16.487 -2.742 223 HD2 ARG 31 HD2 ARG 31 -15.699 -16.042 -3.434 224 HD3 ARG 31 HD1 ARG 31 -15.138 -17.033 -2.081 225 HE ARG 31 HE ARG 31 -17.005 -18.287 -3.930 226 HH11 ARG 31 HH11 ARG 31 -13.662 -17.881 -2.978 227 HH12 ARG 31 HH12 ARG 31 -13.130 -19.305 -3.797 228 HH21 ARG 31 HH21 ARG 31 -16.328 -20.149 -4.981 229 HH22 ARG 31 HH22 ARG 31 -14.651 -20.607 -4.949 230 H ASN 32 HN ASN 32 -19.256 -13.012 -1.732 231 HA ASN 32 HA ASN 32 -20.511 -14.442 -3.838 232 HB2 ASN 32 HB2 ASN 32 -22.826 -13.864 -3.519 233 HB3 ASN 32 HB1 ASN 32 -22.279 -14.682 -2.062 234 HD21 ASN 32 HD21 ASN 32 -20.891 -12.408 -0.922 235 HD22 ASN 32 HD22 ASN 32 -22.107 -11.286 -0.434 236 H ASN 33 HN ASN 33 -20.704 -13.178 -5.608 237 HA ASN 33 HA ASN 33 -20.493 -11.419 -7.027 238 HB2 ASN 33 HB2 ASN 33 -22.741 -11.049 -6.099 239 HB3 ASN 33 HB1 ASN 33 -22.058 -10.029 -4.839 240 HD21 ASN 33 HD21 ASN 33 -21.406 -7.946 -5.345 241 HD22 ASN 33 HD22 ASN 33 -21.797 -7.189 -6.849 242 H GLU 34 HN GLU 34 -18.560 -11.436 -4.454 243 HA GLU 34 HA GLU 34 -17.824 -8.590 -4.536 244 HB2 GLU 34 HB2 GLU 34 -16.818 -9.004 -2.297 245 HB3 GLU 34 HB1 GLU 34 -18.550 -9.308 -2.359 246 HG2 GLU 34 HG2 GLU 34 -17.956 -11.762 -2.703 247 HG3 GLU 34 HG1 GLU 34 -16.312 -11.316 -2.252 248 H GLY 35 HN GLY 35 -16.578 -11.809 -5.048 249 HA2 GLY 35 HA2 GLY 35 -14.518 -12.571 -5.748 250 HA3 GLY 35 HA1 GLY 35 -14.166 -10.917 -6.243 251 H GLN 36 HN GLN 36 -15.098 -11.434 -3.014 252 HA GLN 36 HA GLN 36 -12.339 -11.275 -2.013 253 HB2 GLN 36 HB2 GLN 36 -14.711 -9.682 -0.980 254 HB3 GLN 36 HB1 GLN 36 -13.069 -9.633 -0.342 255 HG2 GLN 36 HG2 GLN 36 -12.255 -8.628 -2.370 256 HG3 GLN 36 HG1 GLN 36 -13.828 -8.817 -3.143 257 HE21 GLN 36 HE21 GLN 36 -12.295 -6.395 -2.745 258 HE22 GLN 36 HE22 GLN 36 -13.309 -5.330 -1.830 259 H TYR 37 HN TYR 37 -12.487 -11.637 0.524 260 HA TYR 37 HA TYR 37 -14.252 -13.968 0.871 261 HB2 TYR 37 HB2 TYR 37 -11.380 -13.552 1.609 262 HB3 TYR 37 HB1 TYR 37 -12.371 -14.643 2.581 263 HD1 TYR 37 HD2 TYR 37 -13.879 -16.263 1.129 264 HD2 TYR 37 HD1 TYR 37 -10.223 -14.524 -0.181 265 HE1 TYR 37 HE2 TYR 37 -13.633 -18.055 -0.535 266 HE2 TYR 37 HE1 TYR 37 -9.968 -16.308 -1.855 267 HH TYR 37 HH TYR 37 -10.718 -18.448 -2.396 268 H SER 38 HN SER 38 -15.549 -14.070 2.486 269 HA SER 38 HA SER 38 -15.200 -12.294 4.795 270 HB2 SER 38 HB2 SER 38 -17.812 -13.142 3.499 271 HB3 SER 38 HB1 SER 38 -17.656 -12.115 4.926 272 HG SER 38 HG SER 38 -16.982 -11.548 2.236 273 H VAL 39 HN VAL 39 -16.776 -13.275 6.649 274 HA VAL 39 HA VAL 39 -16.460 -16.205 6.622 275 HB VAL 39 HB VAL 39 -15.879 -16.133 9.057 276 HG11 VAL 39 HG11 VAL 39 -14.180 -16.463 7.294 277 HG12 VAL 39 HG12 VAL 39 -13.528 -15.627 8.703 278 HG13 VAL 39 HG13 VAL 39 -13.913 -14.718 7.238 279 HG21 VAL 39 HG21 VAL 39 -15.005 -14.041 10.000 280 HG22 VAL 39 HG22 VAL 39 -16.711 -13.893 9.582 281 HG23 VAL 39 HG23 VAL 39 -15.481 -13.175 8.539 282 H TRP 40 HN TRP 40 -17.779 -17.317 8.239 283 HA TRP 40 HA TRP 40 -20.186 -16.014 9.172 284 HB2 TRP 40 HB2 TRP 40 -20.511 -16.376 6.688 285 HB3 TRP 40 HB1 TRP 40 -20.350 -18.101 6.973 286 HD1 TRP 40 HD1 TRP 40 -22.507 -19.385 7.645 287 HE1 TRP 40 HE1 TRP 40 -24.957 -18.698 8.017 288 HE3 TRP 40 HE3 TRP 40 -21.928 -14.306 7.713 289 HZ2 TRP 40 HZ2 TRP 40 -26.445 -16.324 8.313 290 HZ3 TRP 40 HZ3 TRP 40 -23.918 -12.895 8.047 291 HH2 TRP 40 HH2 TRP 40 -26.132 -13.887 8.341 292 H MET 41 HN MET 41 -21.477 -17.522 10.480 293 HA MET 41 HA MET 41 -19.757 -19.463 11.755 294 HB2 MET 41 HB2 MET 41 -21.236 -17.995 13.087 295 HB3 MET 41 HB1 MET 41 -22.641 -18.769 12.368 296 HG2 MET 41 HG2 MET 41 -22.007 -20.897 13.375 297 HG3 MET 41 HG1 MET 41 -20.562 -20.152 14.054 298 HE1 MET 41 HE1 MET 41 -22.569 -21.798 15.852 299 HE2 MET 41 HE2 MET 41 -22.720 -20.740 17.253 300 HE3 MET 41 HE3 MET 41 -21.145 -20.976 16.494 301 H ASP 42 HN ASP 42 -19.872 -21.639 11.644 302 HA ASP 42 HA ASP 42 -21.194 -22.836 9.426 303 HB2 ASP 42 HB2 ASP 42 -19.079 -23.746 10.168 304 HB3 ASP 42 HB1 ASP 42 -19.723 -24.054 11.779 305 H GLY 43 HN GLY 43 -23.043 -24.014 9.320 306 HA2 GLY 43 HA2 GLY 43 -24.891 -25.215 10.128 307 HA3 GLY 43 HA1 GLY 43 -24.504 -24.694 11.762 308 H ARG 44 HN ARG 44 -24.229 -21.994 10.005 309 HA ARG 44 HA ARG 44 -26.983 -21.147 10.588 310 HB2 ARG 44 HB2 ARG 44 -25.095 -19.941 11.690 311 HB3 ARG 44 HB1 ARG 44 -24.508 -19.466 10.104 312 HG2 ARG 44 HG2 ARG 44 -26.496 -18.149 9.711 313 HG3 ARG 44 HG1 ARG 44 -27.205 -18.713 11.228 314 HD2 ARG 44 HD2 ARG 44 -25.346 -17.666 12.462 315 HD3 ARG 44 HD1 ARG 44 -24.688 -17.069 10.939 316 HE ARG 44 HE ARG 44 -27.034 -15.934 10.807 317 HH11 ARG 44 HH11 ARG 44 -25.112 -16.398 13.701 318 HH12 ARG 44 HH12 ARG 44 -25.685 -14.954 14.468 319 HH21 ARG 44 HH21 ARG 44 -27.802 -14.031 11.826 320 HH22 ARG 44 HH22 ARG 44 -27.205 -13.603 13.399 321 H SER 45 HN SER 45 -28.314 -20.604 8.964 322 HA SER 45 HA SER 45 -27.682 -21.347 6.319 323 HB2 SER 45 HB2 SER 45 -30.045 -19.710 7.274 324 HB3 SER 45 HB1 SER 45 -29.949 -20.662 5.791 325 HG SER 45 HG SER 45 -30.910 -21.509 7.985 326 H LEU 46 HN LEU 46 -27.812 -20.057 4.409 327 HA LEU 46 HA LEU 46 -26.937 -17.275 4.742 328 HB2 LEU 46 HB2 LEU 46 -25.840 -19.490 3.050 329 HB3 LEU 46 HB1 LEU 46 -25.711 -17.844 2.481 330 HG LEU 46 HG LEU 46 -24.602 -18.824 5.115 331 HD11 LEU 46 HD11 LEU 46 -23.462 -19.843 3.191 332 HD12 LEU 46 HD12 LEU 46 -22.425 -18.716 4.058 333 HD13 LEU 46 HD13 LEU 46 -23.162 -18.238 2.529 334 HD21 LEU 46 HD21 LEU 46 -25.132 -16.447 5.141 335 HD22 LEU 46 HD22 LEU 46 -24.249 -16.212 3.632 336 HD23 LEU 46 HD23 LEU 46 -23.386 -16.684 5.096 337 HA PRO 47 HA PRO 47 -30.300 -16.173 1.960 338 HB2 PRO 47 HB2 PRO 47 -28.340 -14.103 1.082 339 HB3 PRO 47 HB1 PRO 47 -30.007 -13.911 1.633 340 HG2 PRO 47 HG2 PRO 47 -27.937 -13.252 3.199 341 HG3 PRO 47 HG1 PRO 47 -29.418 -13.962 3.870 342 HD2 PRO 47 HD2 PRO 47 -26.749 -15.230 3.407 343 HD3 PRO 47 HD1 PRO 47 -27.932 -15.521 4.694 344 H ALA 48 HN ALA 48 -30.763 -16.684 -0.143 345 HA ALA 48 HA ALA 48 -29.086 -18.261 -1.682 346 HB1 ALA 48 HB1 ALA 48 -31.517 -18.164 -1.994 347 HB2 ALA 48 HB2 ALA 48 -30.660 -17.919 -3.516 348 HB3 ALA 48 HB3 ALA 48 -31.365 -16.541 -2.670 349 H GLY 49 HN GLY 49 -27.456 -17.882 -3.034 350 HA2 GLY 49 HA2 GLY 49 -26.395 -16.453 -4.722 351 HA3 GLY 49 HA1 GLY 49 -26.842 -15.070 -3.730 352 H TRP 50 HN TRP 50 -26.166 -16.313 -1.212 353 HA TRP 50 HA TRP 50 -23.320 -15.830 -1.214 354 HB2 TRP 50 HB2 TRP 50 -25.271 -16.634 0.962 355 HB3 TRP 50 HB1 TRP 50 -23.549 -16.398 1.252 356 HD1 TRP 50 HD1 TRP 50 -26.511 -14.313 -0.183 357 HE1 TRP 50 HE1 TRP 50 -26.183 -11.867 0.554 358 HE3 TRP 50 HE3 TRP 50 -22.059 -14.802 2.288 359 HZ2 TRP 50 HZ2 TRP 50 -24.289 -10.349 1.994 360 HZ3 TRP 50 HZ3 TRP 50 -21.056 -12.803 3.318 361 HH2 TRP 50 HH2 TRP 50 -22.148 -10.623 3.174 362 H GLU 51 HN GLU 51 -21.678 -17.327 -0.856 363 HA GLU 51 HA GLU 51 -22.479 -20.169 -0.823 364 HB2 GLU 51 HB2 GLU 51 -20.771 -20.739 -2.434 365 HB3 GLU 51 HB1 GLU 51 -21.785 -19.481 -3.125 366 HG2 GLU 51 HG2 GLU 51 -20.071 -17.815 -2.454 367 HG3 GLU 51 HG1 GLU 51 -19.039 -19.145 -1.937 368 H THR 52 HN THR 52 -20.954 -21.594 0.070 369 HA THR 52 HA THR 52 -19.301 -20.353 2.152 370 HB THR 52 HB THR 52 -19.366 -22.736 3.133 371 HG1 THR 52 HG1 THR 52 -21.581 -22.943 1.343 372 HG21 THR 52 HG21 THR 52 -20.645 -20.898 4.103 373 HG22 THR 52 HG22 THR 52 -21.582 -22.391 4.142 374 HG23 THR 52 HG23 THR 52 -21.937 -21.159 2.931 375 H VAL 53 HN VAL 53 -17.291 -21.347 2.702 376 HA VAL 53 HA VAL 53 -15.798 -22.926 0.837 377 HB VAL 53 HB VAL 53 -14.108 -20.918 0.498 378 HG11 VAL 53 HG11 VAL 53 -15.067 -20.444 -1.680 379 HG12 VAL 53 HG12 VAL 53 -16.629 -21.082 -1.166 380 HG13 VAL 53 HG13 VAL 53 -15.240 -22.160 -1.312 381 HG21 VAL 53 HG21 VAL 53 -15.209 -18.761 0.151 382 HG22 VAL 53 HG22 VAL 53 -15.334 -19.288 1.827 383 HG23 VAL 53 HG23 VAL 53 -16.727 -19.433 0.756 384 H GLY 54 HN GLY 54 -13.397 -22.863 1.520 385 HA2 GLY 54 HA2 GLY 54 -11.746 -22.495 3.148 386 HA3 GLY 54 HA1 GLY 54 -12.982 -21.913 4.253 387 H GLU 55 HN GLU 55 -12.373 -23.185 5.935 388 HA GLU 55 HA GLU 55 -13.147 -25.991 5.818 389 HB2 GLU 55 HB2 GLU 55 -10.702 -25.923 5.338 390 HB3 GLU 55 HB1 GLU 55 -10.446 -25.069 6.849 391 HG2 GLU 55 HG2 GLU 55 -11.155 -26.990 8.119 392 HG3 GLU 55 HG1 GLU 55 -11.594 -27.844 6.639 393 HA PRO 56 HA PRO 56 -15.204 -24.469 9.347 394 HB2 PRO 56 HB2 PRO 56 -15.740 -26.785 10.698 395 HB3 PRO 56 HB1 PRO 56 -16.628 -26.252 9.274 396 HG2 PRO 56 HG2 PRO 56 -14.420 -28.257 9.488 397 HG3 PRO 56 HG1 PRO 56 -15.903 -28.321 8.518 398 HD2 PRO 56 HD2 PRO 56 -13.521 -27.668 7.442 399 HD3 PRO 56 HD1 PRO 56 -15.033 -26.964 6.870 400 H ALA 57 HN ALA 57 -14.387 -23.421 10.992 401 HA ALA 57 HA ALA 57 -12.860 -24.571 13.102 402 HB1 ALA 57 HB1 ALA 57 -11.335 -22.844 11.134 403 HB2 ALA 57 HB2 ALA 57 -11.062 -24.559 11.436 404 HB3 ALA 57 HB3 ALA 57 -10.735 -23.378 12.705 405 H THR 58 HN THR 58 -12.219 -22.863 14.686 406 HA THR 58 HA THR 58 -14.319 -21.090 15.150 407 HB THR 58 HB THR 58 -12.946 -21.776 17.000 408 HG1 THR 58 HG1 THR 58 -12.467 -19.653 17.888 409 HG21 THR 58 HG21 THR 58 -10.632 -21.047 17.294 410 HG22 THR 58 HG22 THR 58 -10.673 -20.229 15.733 411 HG23 THR 58 HG23 THR 58 -10.795 -21.988 15.812 412 H LYS 59 HN LYS 59 -14.350 -18.772 15.212 413 HA LYS 59 HA LYS 59 -13.909 -17.568 12.782 414 HB2 LYS 59 HB2 LYS 59 -15.409 -16.657 14.500 415 HB3 LYS 59 HB1 LYS 59 -14.024 -16.230 15.498 416 HG2 LYS 59 HG2 LYS 59 -13.270 -14.656 13.776 417 HG3 LYS 59 HG1 LYS 59 -14.668 -15.080 12.785 418 HD2 LYS 59 HD2 LYS 59 -16.164 -14.266 14.560 419 HD3 LYS 59 HD1 LYS 59 -14.763 -13.829 15.538 420 HE2 LYS 59 HE2 LYS 59 -14.054 -12.244 13.799 421 HE3 LYS 59 HE1 LYS 59 -15.464 -12.679 12.834 422 HZ1 LYS 59 HZ1 LYS 59 -16.894 -11.822 14.560 423 HZ2 LYS 59 HZ2 LYS 59 -15.790 -10.632 14.097 424 HZ3 LYS 59 HZ3 LYS 59 -15.565 -11.470 15.546 425 H GLN 60 HN GLN 60 -11.833 -17.577 15.617 426 HA GLN 60 HA GLN 60 -9.847 -15.804 14.855 427 HB2 GLN 60 HB2 GLN 60 -10.014 -16.840 17.082 428 HB3 GLN 60 HB1 GLN 60 -9.559 -18.395 16.401 429 HG2 GLN 60 HG2 GLN 60 -7.363 -17.478 15.799 430 HG3 GLN 60 HG1 GLN 60 -7.822 -15.931 16.509 431 HE21 GLN 60 HE21 GLN 60 -9.266 -17.240 18.722 432 HE22 GLN 60 HE22 GLN 60 -8.045 -17.820 19.795 433 H GLN 61 HN GLN 61 -10.068 -19.282 14.184 434 HA GLN 61 HA GLN 61 -7.649 -19.358 12.651 435 HB2 GLN 61 HB2 GLN 61 -9.902 -21.371 12.873 436 HB3 GLN 61 HB1 GLN 61 -8.335 -21.674 12.125 437 HG2 GLN 61 HG2 GLN 61 -8.762 -20.938 15.021 438 HG3 GLN 61 HG1 GLN 61 -8.518 -22.575 14.415 439 HE21 GLN 61 HE21 GLN 61 -6.487 -23.221 13.791 440 HE22 GLN 61 HE22 GLN 61 -5.063 -22.302 14.130 441 H CYS 62 HN CYS 62 -11.017 -18.834 11.981 442 HA CYS 62 HA CYS 62 -10.994 -19.441 9.207 443 HB2 CYS 62 HB2 CYS 62 -13.034 -19.241 10.713 444 HB3 CYS 62 HB1 CYS 62 -12.861 -17.494 10.579 445 HG CYS 62 HG CYS 62 -14.887 -18.787 8.859 446 H LEU 63 HN LEU 63 -10.801 -16.294 10.938 447 HA LEU 63 HA LEU 63 -10.379 -14.781 8.590 448 HB2 LEU 63 HB2 LEU 63 -9.379 -13.048 10.182 449 HB3 LEU 63 HB1 LEU 63 -11.066 -13.485 10.400 450 HG LEU 63 HG LEU 63 -10.068 -15.141 12.209 451 HD11 LEU 63 HD11 LEU 63 -7.953 -12.996 12.075 452 HD12 LEU 63 HD12 LEU 63 -7.727 -14.713 11.735 453 HD13 LEU 63 HD13 LEU 63 -8.136 -14.184 13.366 454 HD21 LEU 63 HD21 LEU 63 -11.648 -13.361 12.694 455 HD22 LEU 63 HD22 LEU 63 -10.353 -12.166 12.649 456 HD23 LEU 63 HD23 LEU 63 -10.374 -13.398 13.912 457 H GLN 64 HN GLN 64 -8.192 -16.377 10.815 458 HA GLN 64 HA GLN 64 -5.764 -15.476 9.780 459 HB2 GLN 64 HB2 GLN 64 -5.796 -16.698 11.840 460 HB3 GLN 64 HB1 GLN 64 -6.557 -18.085 11.074 461 HG2 GLN 64 HG2 GLN 64 -4.534 -18.574 9.843 462 HG3 GLN 64 HG1 GLN 64 -3.769 -17.111 10.467 463 HE21 GLN 64 HE21 GLN 64 -4.947 -20.298 11.280 464 HE22 GLN 64 HE22 GLN 64 -4.068 -20.461 12.762 465 H ARG 65 HN ARG 65 -7.881 -18.116 8.763 466 HA ARG 65 HA ARG 65 -6.065 -19.329 6.995 467 HB2 ARG 65 HB2 ARG 65 -8.099 -20.438 7.877 468 HB3 ARG 65 HB1 ARG 65 -9.090 -19.392 6.871 469 HG2 ARG 65 HG2 ARG 65 -8.459 -20.441 4.908 470 HG3 ARG 65 HG1 ARG 65 -6.967 -21.080 5.605 471 HD2 ARG 65 HD2 ARG 65 -8.627 -22.414 7.145 472 HD3 ARG 65 HD1 ARG 65 -9.770 -22.089 5.839 473 HE ARG 65 HE ARG 65 -7.957 -23.144 4.367 474 HH11 ARG 65 HH11 ARG 65 -8.531 -24.051 7.695 475 HH12 ARG 65 HH12 ARG 65 -7.977 -25.681 7.491 476 HH21 ARG 65 HH21 ARG 65 -7.184 -25.288 4.094 477 HH22 ARG 65 HH22 ARG 65 -7.184 -26.379 5.446 478 H ILE 66 HN ILE 66 -8.558 -16.857 6.456 479 HA ILE 66 HA ILE 66 -8.081 -16.731 3.629 480 HB ILE 66 HB ILE 66 -9.492 -14.660 3.698 481 HG12 ILE 66 HG12 ILE 66 -9.821 -15.370 6.628 482 HG13 ILE 66 HG11 ILE 66 -8.910 -13.991 6.031 483 HG21 ILE 66 HG21 ILE 66 -10.463 -16.836 3.259 484 HG22 ILE 66 HG22 ILE 66 -11.571 -15.866 4.228 485 HG23 ILE 66 HG23 ILE 66 -10.624 -17.145 4.990 486 HD11 ILE 66 HD11 ILE 66 -11.868 -14.446 5.684 487 HD12 ILE 66 HD12 ILE 66 -10.958 -13.069 5.057 488 HD13 ILE 66 HD13 ILE 66 -11.101 -13.313 6.797 489 H GLU 67 HN GLU 67 -6.946 -14.873 6.425 490 HA GLU 67 HA GLU 67 -5.838 -12.736 4.948 491 HB2 GLU 67 HB2 GLU 67 -5.153 -13.786 7.698 492 HB3 GLU 67 HB1 GLU 67 -4.455 -12.324 7.015 493 HG2 GLU 67 HG2 GLU 67 -7.361 -12.822 7.633 494 HG3 GLU 67 HG1 GLU 67 -6.260 -11.740 8.483 495 H GLN 68 HN GLN 68 -4.440 -15.810 6.050 496 HA GLN 68 HA GLN 68 -1.811 -15.190 5.093 497 HB2 GLN 68 HB2 GLN 68 -2.959 -17.925 5.691 498 HB3 GLN 68 HB1 GLN 68 -1.256 -17.484 5.630 499 HG2 GLN 68 HG2 GLN 68 -1.669 -15.946 7.561 500 HG3 GLN 68 HG1 GLN 68 -3.297 -16.608 7.670 501 HE21 GLN 68 HE21 GLN 68 -1.333 -16.657 9.698 502 HE22 GLN 68 HE22 GLN 68 -0.969 -18.314 10.033 503 H LEU 69 HN LEU 69 -4.446 -15.455 3.335 504 HA LEU 69 HA LEU 69 -3.237 -16.989 1.132 505 HB2 LEU 69 HB2 LEU 69 -6.081 -16.077 1.594 506 HB3 LEU 69 HB1 LEU 69 -5.529 -16.774 0.083 507 HG LEU 69 HG LEU 69 -5.496 -18.182 2.760 508 HD11 LEU 69 HD11 LEU 69 -7.332 -19.522 1.865 509 HD12 LEU 69 HD12 LEU 69 -7.334 -18.557 0.388 510 HD13 LEU 69 HD13 LEU 69 -7.775 -17.817 1.929 511 HD21 LEU 69 HD21 LEU 69 -3.709 -18.936 1.268 512 HD22 LEU 69 HD22 LEU 69 -4.887 -19.213 -0.016 513 HD23 LEU 69 HD23 LEU 69 -4.944 -20.179 1.459 514 H TRP 70 HN TRP 70 -5.280 -14.087 1.459 515 HA TRP 70 HA TRP 70 -4.146 -12.944 -0.958 516 HB2 TRP 70 HB2 TRP 70 -6.561 -12.801 -0.592 517 HB3 TRP 70 HB1 TRP 70 -6.306 -11.937 0.920 518 HD1 TRP 70 HD1 TRP 70 -6.063 -9.345 0.784 519 HE1 TRP 70 HE1 TRP 70 -6.094 -7.631 -1.138 520 HE3 TRP 70 HE3 TRP 70 -5.818 -12.566 -3.186 521 HZ2 TRP 70 HZ2 TRP 70 -6.036 -7.643 -3.958 522 HZ3 TRP 70 HZ3 TRP 70 -5.814 -11.632 -5.466 523 HH2 TRP 70 HH2 TRP 70 -5.921 -9.219 -5.840 524 H THR 71 HN THR 71 -4.486 -11.980 2.435 525 HA THR 71 HA THR 71 -2.887 -9.624 2.173 526 HB THR 71 HB THR 71 -3.664 -11.019 4.749 527 HG1 THR 71 HG1 THR 71 -5.604 -9.840 4.624 528 HG21 THR 71 HG21 THR 71 -2.099 -9.149 4.996 529 HG22 THR 71 HG22 THR 71 -3.683 -8.723 5.644 530 HG23 THR 71 HG23 THR 71 -3.181 -8.110 4.069 531 H ASP 72 HN ASP 72 -2.129 -12.874 2.386 532 HA ASP 72 HA ASP 72 -0.278 -13.293 4.296 533 HB2 ASP 72 HB2 ASP 72 0.558 -15.102 3.060 534 HB3 ASP 72 HB1 ASP 72 -1.105 -14.918 2.533 535 H MET 73 HN MET 73 0.276 -11.597 1.253 536 HA MET 73 HA MET 73 3.088 -11.300 1.541 537 HB2 MET 73 HB2 MET 73 2.002 -10.993 -0.628 538 HB3 MET 73 HB1 MET 73 1.103 -9.612 -0.011 539 HG2 MET 73 HG2 MET 73 3.002 -8.935 -1.395 540 HG3 MET 73 HG1 MET 73 3.162 -8.354 0.262 541 HE1 MET 73 HE1 MET 73 5.646 -8.212 -1.555 542 HE2 MET 73 HE2 MET 73 6.896 -8.940 -0.545 543 HE3 MET 73 HE3 MET 73 5.702 -7.857 0.172 544 H VAL 74 HN VAL 74 3.308 -10.754 3.733 545 HA VAL 74 HA VAL 74 2.579 -7.988 4.411 546 HB VAL 74 HB VAL 74 2.202 -10.512 5.908 547 HG11 VAL 74 HG11 VAL 74 4.015 -9.520 7.275 548 HG12 VAL 74 HG12 VAL 74 2.476 -9.573 8.129 549 HG13 VAL 74 HG13 VAL 74 3.052 -8.050 7.453 550 HG21 VAL 74 HG21 VAL 74 0.920 -7.783 5.899 551 HG22 VAL 74 HG22 VAL 74 0.380 -9.117 6.914 552 HG23 VAL 74 HG23 VAL 74 0.313 -9.268 5.158 553 HA PRO 75 HA PRO 75 6.832 -7.085 4.830 554 HB2 PRO 75 HB2 PRO 75 6.727 -5.091 6.694 555 HB3 PRO 75 HB1 PRO 75 6.234 -4.878 5.015 556 HG2 PRO 75 HG2 PRO 75 4.537 -5.402 7.434 557 HG3 PRO 75 HG1 PRO 75 4.277 -4.248 6.109 558 HD2 PRO 75 HD2 PRO 75 2.986 -6.622 6.199 559 HD3 PRO 75 HD1 PRO 75 3.503 -5.887 4.660 560 H ALA 76 HN ALA 76 8.303 -6.277 6.938 561 HA ALA 76 HA ALA 76 9.090 -8.662 8.119 562 HB1 ALA 76 HB1 ALA 76 10.540 -7.308 9.533 563 HB2 ALA 76 HB2 ALA 76 9.609 -5.866 9.124 564 HB3 ALA 76 HB3 ALA 76 10.539 -6.701 7.877 565 H SER 77 HN SER 77 6.534 -6.579 9.051 566 HA SER 77 HA SER 77 6.458 -6.898 11.811 567 HB2 SER 77 HB2 SER 77 4.018 -6.379 11.571 568 HB3 SER 77 HB1 SER 77 5.078 -5.251 10.735 569 HG SER 77 HG SER 77 3.162 -6.108 9.571 570 H VAL 78 HN VAL 78 5.674 -9.140 9.285 571 HA VAL 78 HA VAL 78 4.058 -10.949 10.679 572 HB VAL 78 HB VAL 78 4.462 -11.132 8.257 573 HG11 VAL 78 HG11 VAL 78 6.529 -12.150 7.396 574 HG12 VAL 78 HG12 VAL 78 7.225 -12.096 9.016 575 HG13 VAL 78 HG13 VAL 78 6.834 -10.596 8.174 576 HG21 VAL 78 HG21 VAL 78 5.261 -13.629 9.763 577 HG22 VAL 78 HG22 VAL 78 4.625 -13.569 8.119 578 HG23 VAL 78 HG23 VAL 78 3.611 -13.076 9.474 579 H ARG 79 HN ARG 79 7.570 -10.586 10.561 580 HA ARG 79 HA ARG 79 8.152 -12.872 12.192 581 HB2 ARG 79 HB2 ARG 79 9.840 -10.461 11.464 582 HB3 ARG 79 HB1 ARG 79 10.445 -11.888 12.290 583 HG2 ARG 79 HG2 ARG 79 9.162 -12.057 9.574 584 HG3 ARG 79 HG1 ARG 79 10.873 -11.686 9.780 585 HD2 ARG 79 HD2 ARG 79 10.784 -14.011 9.429 586 HD3 ARG 79 HD1 ARG 79 11.023 -13.815 11.164 587 HE ARG 79 HE ARG 79 8.309 -14.232 10.127 588 HH11 ARG 79 HH11 ARG 79 11.041 -15.405 11.999 589 HH12 ARG 79 HH12 ARG 79 10.172 -16.763 12.647 590 HH21 ARG 79 HH21 ARG 79 7.176 -16.035 10.979 591 HH22 ARG 79 HH22 ARG 79 7.985 -17.118 12.070 592 H GLU 80 HN GLU 80 7.450 -9.516 12.730 593 HA GLU 80 HA GLU 80 8.511 -9.346 15.378 594 HB2 GLU 80 HB2 GLU 80 7.089 -7.578 13.510 595 HB3 GLU 80 HB1 GLU 80 6.649 -7.304 15.189 596 HG2 GLU 80 HG2 GLU 80 9.486 -7.332 14.173 597 HG3 GLU 80 HG1 GLU 80 8.509 -5.876 14.351 598 H HIS 81 HN HIS 81 5.256 -9.812 14.046 599 HA HIS 81 HA HIS 81 3.961 -9.642 16.564 600 HB2 HIS 81 HB2 HIS 81 3.044 -9.482 14.054 601 HB3 HIS 81 HB1 HIS 81 2.665 -11.175 14.356 602 HD1 HIS 81 HD1 HIS 81 1.485 -11.325 17.012 603 HD2 HIS 81 HD2 HIS 81 0.899 -7.974 14.630 604 HE1 HIS 81 HE1 HIS 81 -0.560 -10.192 17.934 605 HE2 HIS 81 HE2 HIS 81 -0.706 -8.029 16.649 606 H LEU 82 HN LEU 82 5.471 -12.237 14.816 607 HA LEU 82 HA LEU 82 4.461 -14.256 16.672 608 HB2 LEU 82 HB2 LEU 82 6.126 -14.366 14.174 609 HB3 LEU 82 HB1 LEU 82 6.068 -15.737 15.266 610 HG LEU 82 HG LEU 82 3.579 -15.782 14.982 611 HD11 LEU 82 HD11 LEU 82 4.124 -13.793 12.777 612 HD12 LEU 82 HD12 LEU 82 3.237 -13.467 14.266 613 HD13 LEU 82 HD13 LEU 82 2.588 -14.605 13.085 614 HD21 LEU 82 HD21 LEU 82 5.041 -17.288 13.771 615 HD22 LEU 82 HD22 LEU 82 5.241 -16.092 12.491 616 HD23 LEU 82 HD23 LEU 82 3.661 -16.823 12.777 617 H ASN 83 HN ASN 83 5.625 -12.629 18.177 618 HA ASN 83 HA ASN 83 8.483 -13.215 18.478 619 HB2 ASN 83 HB2 ASN 83 7.716 -10.854 18.504 620 HB3 ASN 83 HB1 ASN 83 6.745 -11.206 19.931 621 HD21 ASN 83 HD21 ASN 83 9.929 -10.660 18.693 622 HD22 ASN 83 HD22 ASN 83 10.717 -10.522 20.228 623 H GLN 84 HN GLN 84 5.486 -13.206 20.380 624 HA GLN 84 HA GLN 84 4.671 -14.643 21.929 625 HB2 GLN 84 HB2 GLN 84 5.793 -16.408 20.527 626 HB3 GLN 84 HB1 GLN 84 7.189 -16.286 21.589 627 HG2 GLN 84 HG2 GLN 84 5.856 -17.024 23.475 628 HG3 GLN 84 HG1 GLN 84 4.408 -17.053 22.472 629 HE21 GLN 84 HE21 GLN 84 5.621 -19.200 23.985 630 HE22 GLN 84 HE22 GLN 84 5.991 -20.453 22.852 631 H HIS 85 HN HIS 85 7.324 -12.766 22.291 632 HA HIS 85 HA HIS 85 7.621 -13.349 25.171 633 HB2 HIS 85 HB2 HIS 85 9.678 -13.515 23.690 634 HB3 HIS 85 HB1 HIS 85 9.518 -11.793 23.382 635 HD1 HIS 85 HD1 HIS 85 10.982 -14.197 25.685 636 HD2 HIS 85 HD2 HIS 85 9.956 -10.169 25.766 637 HE1 HIS 85 HE1 HIS 85 12.249 -13.218 27.623 638 HE2 HIS 85 HE2 HIS 85 11.705 -10.758 27.579 639 H SER 86 HN SER 86 7.666 -11.500 26.603 640 HA SER 86 HA SER 86 5.701 -9.604 26.250 641 HB2 SER 86 HB2 SER 86 6.805 -10.201 28.420 642 HB3 SER 86 HB1 SER 86 8.201 -9.245 27.928 643 HG SER 86 HG SER 86 6.285 -7.586 27.617 644 H GLY 87 HN GLY 87 5.553 -7.626 25.340 645 HA2 GLY 87 HA2 GLY 87 7.066 -5.588 24.797 646 HA3 GLY 87 HA1 GLY 87 7.815 -6.733 23.692 647 HA PRO 88 HA PRO 88 4.598 -5.770 20.760 648 HB2 PRO 88 HB2 PRO 88 4.630 -7.937 19.183 649 HB3 PRO 88 HB1 PRO 88 6.032 -6.862 19.275 650 HG2 PRO 88 HG2 PRO 88 5.561 -9.484 20.656 651 HG3 PRO 88 HG1 PRO 88 7.018 -8.907 19.824 652 HD2 PRO 88 HD2 PRO 88 6.685 -8.810 22.545 653 HD3 PRO 88 HD1 PRO 88 7.720 -7.688 21.640 654 H GLY 89 HN GLY 89 3.032 -7.909 19.503 655 HA2 GLY 89 HA2 GLY 89 1.354 -9.516 20.108 656 HA3 GLY 89 HA1 GLY 89 1.318 -8.826 21.726 657 H ILE 90 HN ILE 90 1.123 -6.182 21.241 658 HA ILE 90 HA ILE 90 -1.570 -5.928 20.140 659 HB ILE 90 HB ILE 90 -1.691 -3.808 21.312 660 HG12 ILE 90 HG12 ILE 90 1.222 -4.279 22.064 661 HG13 ILE 90 HG11 ILE 90 0.645 -3.057 20.936 662 HG21 ILE 90 HG21 ILE 90 -2.193 -5.766 22.615 663 HG22 ILE 90 HG22 ILE 90 -1.319 -4.626 23.641 664 HG23 ILE 90 HG23 ILE 90 -0.484 -6.026 22.960 665 HD11 ILE 90 HD11 ILE 90 0.020 -3.175 23.882 666 HD12 ILE 90 HD12 ILE 90 -0.550 -1.946 22.749 667 HD13 ILE 90 HD13 ILE 90 1.172 -2.094 23.095 668 H ASP 91 HN ASP 91 1.056 -6.094 18.740 669 HA ASP 91 HA ASP 91 1.242 -3.559 17.314 670 HB2 ASP 91 HB2 ASP 91 3.193 -4.509 16.228 671 HB3 ASP 91 HB1 ASP 91 3.308 -4.790 17.961 672 H TYR 92 HN TYR 92 1.510 -3.809 14.836 673 HA TYR 92 HA TYR 92 -0.918 -5.175 13.907 674 HB2 TYR 92 HB2 TYR 92 -0.870 -3.594 12.011 675 HB3 TYR 92 HB1 TYR 92 -0.898 -2.754 13.555 676 HD1 TYR 92 HD2 TYR 92 1.159 -1.626 14.389 677 HD2 TYR 92 HD1 TYR 92 0.985 -3.349 10.496 678 HE1 TYR 92 HE2 TYR 92 3.146 -0.340 13.731 679 HE2 TYR 92 HE1 TYR 92 2.971 -2.065 9.834 680 HH TYR 92 HH TYR 92 4.923 -0.396 12.099 681 H ALA 93 HN ALA 93 -0.883 -6.699 12.379 682 HA ALA 93 HA ALA 93 1.119 -7.014 10.411 683 HB1 ALA 93 HB1 ALA 93 1.224 -9.020 12.676 684 HB2 ALA 93 HB2 ALA 93 2.467 -7.827 12.300 685 HB3 ALA 93 HB3 ALA 93 2.118 -9.128 11.159 686 H VAL 94 HN VAL 94 0.872 -9.623 9.735 687 HA VAL 94 HA VAL 94 -1.898 -9.831 8.940 688 HB VAL 94 HB VAL 94 0.052 -10.376 7.429 689 HG11 VAL 94 HG11 VAL 94 0.251 -12.882 9.112 690 HG12 VAL 94 HG12 VAL 94 1.439 -11.580 9.036 691 HG13 VAL 94 HG13 VAL 94 1.119 -12.563 7.606 692 HG21 VAL 94 HG21 VAL 94 -1.036 -12.340 6.389 693 HG22 VAL 94 HG22 VAL 94 -2.198 -11.095 6.848 694 HG23 VAL 94 HG23 VAL 94 -2.020 -12.544 7.839 695 H ARG 95 HN ARG 95 -3.167 -11.802 9.312 696 HA ARG 95 HA ARG 95 -2.558 -13.022 11.919 697 HB2 ARG 95 HB2 ARG 95 -4.859 -11.726 11.181 698 HB3 ARG 95 HB1 ARG 95 -5.285 -13.383 10.778 699 HG2 ARG 95 HG2 ARG 95 -4.386 -12.359 13.471 700 HG3 ARG 95 HG1 ARG 95 -6.017 -12.853 13.016 701 HD2 ARG 95 HD2 ARG 95 -5.211 -15.148 12.660 702 HD3 ARG 95 HD1 ARG 95 -3.583 -14.644 13.123 703 HE ARG 95 HE ARG 95 -5.471 -14.007 15.149 704 HH11 ARG 95 HH11 ARG 95 -3.652 -16.683 13.806 705 HH12 ARG 95 HH12 ARG 95 -3.653 -17.591 15.283 706 HH21 ARG 95 HH21 ARG 95 -5.469 -15.194 17.105 707 HH22 ARG 95 HH22 ARG 95 -4.718 -16.757 17.154 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -14.936 -12.664 -23.746 2 H2 MET 1 HT2 MET 1 -16.281 -11.860 -24.375 3 H3 MET 1 HT3 MET 1 -15.900 -11.706 -22.736 4 HA MET 1 HA MET 1 -14.264 -10.741 -25.007 5 HB2 MET 1 HB2 MET 1 -16.005 -9.281 -23.010 6 HB3 MET 1 HB1 MET 1 -14.784 -8.469 -23.980 7 HG2 MET 1 HG2 MET 1 -15.940 -9.262 -26.020 8 HG3 MET 1 HG1 MET 1 -17.200 -9.947 -24.995 9 HE1 MET 1 HE1 MET 1 -17.687 -7.857 -27.395 10 HE2 MET 1 HE2 MET 1 -18.882 -6.786 -26.670 11 HE3 MET 1 HE3 MET 1 -19.005 -8.531 -26.435 12 H ALA 2 HN ALA 2 -14.356 -11.758 -21.738 13 HA ALA 2 HA ALA 2 -11.874 -10.395 -21.038 14 HB1 ALA 2 HB1 ALA 2 -13.521 -12.384 -19.462 15 HB2 ALA 2 HB2 ALA 2 -13.625 -10.628 -19.334 16 HB3 ALA 2 HB3 ALA 2 -12.146 -11.461 -18.852 17 H HIS 3 HN HIS 3 -9.924 -11.485 -20.618 18 HA HIS 3 HA HIS 3 -9.762 -14.252 -21.651 19 HB2 HIS 3 HB2 HIS 3 -8.741 -12.506 -23.161 20 HB3 HIS 3 HB1 HIS 3 -7.594 -12.143 -21.877 21 HD1 HIS 3 HD1 HIS 3 -5.451 -13.004 -22.856 22 HD2 HIS 3 HD2 HIS 3 -8.549 -15.762 -23.150 23 HE1 HIS 3 HE1 HIS 3 -4.399 -15.116 -23.727 24 HE2 HIS 3 HE2 HIS 3 -6.329 -16.698 -24.080 25 H HIS 4 HN HIS 4 -9.875 -12.699 -18.926 26 HA HIS 4 HA HIS 4 -7.498 -13.499 -17.551 27 HB2 HIS 4 HB2 HIS 4 -8.770 -11.611 -16.713 28 HB3 HIS 4 HB1 HIS 4 -10.210 -12.606 -16.536 29 HD1 HIS 4 HD1 HIS 4 -10.287 -14.238 -14.518 30 HD2 HIS 4 HD2 HIS 4 -6.898 -11.833 -14.637 31 HE1 HIS 4 HE1 HIS 4 -9.233 -14.447 -12.250 32 HE2 HIS 4 HE2 HIS 4 -7.089 -13.141 -12.410 33 H HIS 5 HN HIS 5 -7.043 -15.606 -17.382 34 HA HIS 5 HA HIS 5 -9.175 -17.524 -16.759 35 HB2 HIS 5 HB2 HIS 5 -7.408 -19.256 -17.134 36 HB3 HIS 5 HB1 HIS 5 -7.710 -18.242 -18.537 37 HD1 HIS 5 HD1 HIS 5 -5.474 -18.372 -19.659 38 HD2 HIS 5 HD2 HIS 5 -5.159 -17.328 -15.648 39 HE1 HIS 5 HE1 HIS 5 -3.068 -17.736 -19.311 40 HE2 HIS 5 HE2 HIS 5 -2.939 -16.974 -16.916 41 H HIS 6 HN HIS 6 -8.876 -19.058 -15.022 42 HA HIS 6 HA HIS 6 -6.883 -18.805 -13.040 43 HB2 HIS 6 HB2 HIS 6 -8.070 -16.666 -12.580 44 HB3 HIS 6 HB1 HIS 6 -9.558 -17.566 -12.310 45 HD1 HIS 6 HD1 HIS 6 -9.952 -18.434 -9.997 46 HD2 HIS 6 HD2 HIS 6 -6.028 -17.198 -10.584 47 HE1 HIS 6 HE1 HIS 6 -8.871 -18.520 -7.730 48 HE2 HIS 6 HE2 HIS 6 -6.556 -17.592 -8.086 49 H HIS 7 HN HIS 7 -6.966 -21.062 -13.373 50 HA HIS 7 HA HIS 7 -9.441 -22.488 -12.932 51 HB2 HIS 7 HB2 HIS 7 -8.111 -24.540 -13.364 52 HB3 HIS 7 HB1 HIS 7 -7.981 -23.347 -14.648 53 HD1 HIS 7 HD1 HIS 7 -5.986 -24.780 -11.773 54 HD2 HIS 7 HD2 HIS 7 -5.416 -22.549 -15.227 55 HE1 HIS 7 HE1 HIS 7 -3.498 -24.621 -12.070 56 HE2 HIS 7 HE2 HIS 7 -3.192 -23.462 -14.280 57 H HIS 8 HN HIS 8 -9.828 -21.799 -10.759 58 HA HIS 8 HA HIS 8 -9.363 -23.844 -8.928 59 HB2 HIS 8 HB2 HIS 8 -7.055 -22.876 -8.809 60 HB3 HIS 8 HB1 HIS 8 -7.756 -21.360 -8.243 61 HD1 HIS 8 HD1 HIS 8 -8.479 -21.237 -5.798 62 HD2 HIS 8 HD2 HIS 8 -7.181 -25.019 -6.937 63 HE1 HIS 8 HE1 HIS 8 -8.246 -22.544 -3.660 64 HE2 HIS 8 HE2 HIS 8 -7.312 -24.773 -4.362 65 H MET 9 HN MET 9 -11.499 -23.681 -8.504 66 HA MET 9 HA MET 9 -12.781 -21.171 -7.916 67 HB2 MET 9 HB2 MET 9 -13.866 -23.133 -9.089 68 HB3 MET 9 HB1 MET 9 -13.872 -23.974 -7.548 69 HG2 MET 9 HG2 MET 9 -15.270 -21.357 -8.077 70 HG3 MET 9 HG1 MET 9 -16.040 -22.941 -8.146 71 HE1 MET 9 HE1 MET 9 -17.348 -20.755 -6.383 72 HE2 MET 9 HE2 MET 9 -17.637 -21.646 -4.889 73 HE3 MET 9 HE3 MET 9 -17.893 -22.433 -6.447 74 H GLY 10 HN GLY 10 -11.797 -24.058 -6.119 75 HA2 GLY 10 HA2 GLY 10 -11.362 -24.405 -3.894 76 HA3 GLY 10 HA1 GLY 10 -11.182 -22.662 -3.748 77 H THR 11 HN THR 11 -13.603 -25.252 -3.855 78 HA THR 11 HA THR 11 -15.597 -23.468 -2.690 79 HB THR 11 HB THR 11 -16.004 -26.361 -3.466 80 HG1 THR 11 HG1 THR 11 -15.788 -24.047 -5.042 81 HG21 THR 11 HG21 THR 11 -18.342 -25.661 -3.745 82 HG22 THR 11 HG22 THR 11 -17.917 -24.018 -3.268 83 HG23 THR 11 HG23 THR 11 -17.783 -25.336 -2.103 84 H LEU 12 HN LEU 12 -15.248 -26.942 -2.014 85 HA LEU 12 HA LEU 12 -15.086 -26.306 0.859 86 HB2 LEU 12 HB2 LEU 12 -16.882 -28.365 -0.441 87 HB3 LEU 12 HB1 LEU 12 -16.662 -28.177 1.288 88 HG LEU 12 HG LEU 12 -17.892 -26.127 -0.570 89 HD11 LEU 12 HD11 LEU 12 -19.974 -26.620 0.602 90 HD12 LEU 12 HD12 LEU 12 -19.159 -27.874 1.540 91 HD13 LEU 12 HD13 LEU 12 -19.340 -28.053 -0.206 92 HD21 LEU 12 HD21 LEU 12 -18.445 -24.900 1.480 93 HD22 LEU 12 HD22 LEU 12 -16.702 -25.049 1.258 94 HD23 LEU 12 HD23 LEU 12 -17.532 -26.076 2.428 95 H GLU 13 HN GLU 13 -14.741 -28.507 2.089 96 HA GLU 13 HA GLU 13 -13.145 -30.483 0.795 97 HB2 GLU 13 HB2 GLU 13 -11.046 -29.866 2.142 98 HB3 GLU 13 HB1 GLU 13 -11.405 -28.903 0.718 99 HG2 GLU 13 HG2 GLU 13 -12.518 -27.241 2.283 100 HG3 GLU 13 HG1 GLU 13 -11.779 -28.142 3.607 101 H ALA 14 HN ALA 14 -11.671 -31.424 2.905 102 HA ALA 14 HA ALA 14 -13.666 -32.732 4.451 103 HB1 ALA 14 HB1 ALA 14 -11.608 -33.857 3.770 104 HB2 ALA 14 HB2 ALA 14 -11.780 -33.874 5.525 105 HB3 ALA 14 HB3 ALA 14 -10.659 -32.748 4.759 106 H GLN 15 HN GLN 15 -12.822 -33.004 6.961 107 HA GLN 15 HA GLN 15 -12.542 -30.313 8.126 108 HB2 GLN 15 HB2 GLN 15 -14.449 -32.444 9.119 109 HB3 GLN 15 HB1 GLN 15 -14.199 -30.865 9.841 110 HG2 GLN 15 HG2 GLN 15 -15.168 -29.768 7.944 111 HG3 GLN 15 HG1 GLN 15 -15.262 -31.287 7.056 112 HE21 GLN 15 HE21 GLN 15 -17.481 -31.041 6.776 113 HE22 GLN 15 HE22 GLN 15 -18.603 -31.302 8.066 114 H THR 16 HN THR 16 -10.526 -30.480 8.982 115 HA THR 16 HA THR 16 -9.829 -32.870 10.512 116 HB THR 16 HB THR 16 -8.141 -31.809 8.974 117 HG1 THR 16 HG1 THR 16 -7.268 -31.781 11.682 118 HG21 THR 16 HG21 THR 16 -8.606 -29.446 9.413 119 HG22 THR 16 HG22 THR 16 -6.921 -29.827 9.765 120 HG23 THR 16 HG23 THR 16 -8.074 -29.644 11.086 121 H GLN 17 HN GLN 17 -10.531 -29.450 10.917 122 HA GLN 17 HA GLN 17 -10.656 -28.080 12.751 123 HB2 GLN 17 HB2 GLN 17 -12.881 -28.953 12.601 124 HB3 GLN 17 HB1 GLN 17 -12.427 -30.425 13.445 125 HG2 GLN 17 HG2 GLN 17 -13.696 -29.057 14.930 126 HG3 GLN 17 HG1 GLN 17 -12.028 -29.075 15.489 127 HE21 GLN 17 HE21 GLN 17 -14.170 -27.182 16.020 128 HE22 GLN 17 HE22 GLN 17 -13.589 -25.637 15.523 129 H GLY 18 HN GLY 18 -10.874 -31.107 14.578 130 HA2 GLY 18 HA2 GLY 18 -8.607 -31.537 15.829 131 HA3 GLY 18 HA1 GLY 18 -9.042 -30.000 16.568 132 HA PRO 19 HA PRO 19 -11.406 -33.762 18.455 133 HB2 PRO 19 HB2 PRO 19 -9.289 -33.931 20.509 134 HB3 PRO 19 HB1 PRO 19 -10.069 -35.224 19.590 135 HG2 PRO 19 HG2 PRO 19 -7.525 -34.497 19.109 136 HG3 PRO 19 HG1 PRO 19 -8.607 -35.024 17.803 137 HD2 PRO 19 HD2 PRO 19 -7.804 -32.235 18.592 138 HD3 PRO 19 HD1 PRO 19 -7.952 -32.948 16.971 139 H GLY 20 HN GLY 20 -12.680 -31.824 18.824 140 HA2 GLY 20 HA2 GLY 20 -12.171 -30.380 21.316 141 HA3 GLY 20 HA1 GLY 20 -13.389 -29.987 20.113 142 H SER 21 HN SER 21 -15.122 -29.879 21.473 143 HA SER 21 HA SER 21 -16.547 -32.230 21.994 144 HB2 SER 21 HB2 SER 21 -16.551 -32.147 24.511 145 HB3 SER 21 HB1 SER 21 -14.998 -32.629 23.826 146 HG SER 21 HG SER 21 -14.258 -31.064 25.028 147 H MET 22 HN MET 22 -16.109 -29.184 23.765 148 HA MET 22 HA MET 22 -18.785 -28.281 22.933 149 HB2 MET 22 HB2 MET 22 -19.081 -27.456 25.329 150 HB3 MET 22 HB1 MET 22 -19.242 -29.186 25.070 151 HG2 MET 22 HG2 MET 22 -17.982 -28.708 27.099 152 HG3 MET 22 HG1 MET 22 -16.984 -29.544 25.911 153 HE1 MET 22 HE1 MET 22 -15.623 -28.192 28.376 154 HE2 MET 22 HE2 MET 22 -14.300 -27.306 27.615 155 HE3 MET 22 HE3 MET 22 -14.712 -28.928 27.056 156 H ASP 23 HN ASP 23 -15.845 -27.689 22.507 157 HA ASP 23 HA ASP 23 -15.179 -25.240 23.726 158 HB2 ASP 23 HB2 ASP 23 -13.371 -25.170 21.947 159 HB3 ASP 23 HB1 ASP 23 -13.395 -26.602 22.968 160 H ASP 24 HN ASP 24 -15.221 -25.353 20.176 161 HA ASP 24 HA ASP 24 -16.717 -22.843 20.190 162 HB2 ASP 24 HB2 ASP 24 -14.341 -23.835 18.633 163 HB3 ASP 24 HB1 ASP 24 -15.343 -22.551 18.026 164 H GLU 25 HN GLU 25 -18.516 -22.791 18.933 165 HA GLU 25 HA GLU 25 -19.385 -24.897 17.272 166 HB2 GLU 25 HB2 GLU 25 -20.106 -21.965 17.450 167 HB3 GLU 25 HB1 GLU 25 -20.877 -23.038 16.292 168 HG2 GLU 25 HG2 GLU 25 -22.209 -22.699 18.333 169 HG3 GLU 25 HG1 GLU 25 -21.792 -24.383 18.046 170 H LEU 26 HN LEU 26 -19.504 -24.873 14.892 171 HA LEU 26 HA LEU 26 -16.919 -24.214 13.839 172 HB2 LEU 26 HB2 LEU 26 -19.334 -25.512 12.584 173 HB3 LEU 26 HB1 LEU 26 -17.866 -25.174 11.687 174 HG LEU 26 HG LEU 26 -17.729 -27.435 12.275 175 HD11 LEU 26 HD11 LEU 26 -16.084 -25.904 14.278 176 HD12 LEU 26 HD12 LEU 26 -15.646 -26.289 12.612 177 HD13 LEU 26 HD13 LEU 26 -15.819 -27.581 13.799 178 HD21 LEU 26 HD21 LEU 26 -18.394 -26.720 15.135 179 HD22 LEU 26 HD22 LEU 26 -18.071 -28.337 14.505 180 HD23 LEU 26 HD23 LEU 26 -19.507 -27.459 13.981 181 H TYR 27 HN TYR 27 -16.441 -22.947 12.092 182 HA TYR 27 HA TYR 27 -18.461 -21.017 11.179 183 HB2 TYR 27 HB2 TYR 27 -15.630 -20.570 12.090 184 HB3 TYR 27 HB1 TYR 27 -16.296 -19.534 10.838 185 HD1 TYR 27 HD1 TYR 27 -17.333 -20.851 14.205 186 HD2 TYR 27 HD2 TYR 27 -17.172 -17.536 11.535 187 HE1 TYR 27 HE1 TYR 27 -18.371 -19.425 15.918 188 HE2 TYR 27 HE2 TYR 27 -18.201 -16.104 13.238 189 HH TYR 27 HH TYR 27 -18.614 -17.151 16.514 190 H PHE 28 HN PHE 28 -18.343 -20.484 9.021 191 HA PHE 28 HA PHE 28 -16.443 -22.003 7.358 192 HB2 PHE 28 HB2 PHE 28 -19.340 -21.789 7.200 193 HB3 PHE 28 HB1 PHE 28 -18.605 -21.170 5.725 194 HD1 PHE 28 HD2 PHE 28 -16.272 -22.882 5.395 195 HD2 PHE 28 HD1 PHE 28 -20.209 -23.869 6.657 196 HE1 PHE 28 HE2 PHE 28 -15.961 -25.182 4.608 197 HE2 PHE 28 HE1 PHE 28 -19.873 -26.183 5.868 198 HZ PHE 28 HZ PHE 28 -17.761 -26.825 4.822 199 H VAL 29 HN VAL 29 -15.769 -20.902 5.374 200 HA VAL 29 HA VAL 29 -15.600 -17.999 5.764 201 HB VAL 29 HB VAL 29 -14.193 -19.939 3.915 202 HG11 VAL 29 HG11 VAL 29 -12.820 -18.017 3.149 203 HG12 VAL 29 HG12 VAL 29 -13.965 -16.935 3.942 204 HG13 VAL 29 HG13 VAL 29 -14.493 -17.959 2.602 205 HG21 VAL 29 HG21 VAL 29 -13.157 -18.187 6.142 206 HG22 VAL 29 HG22 VAL 29 -12.183 -19.266 5.139 207 HG23 VAL 29 HG23 VAL 29 -13.408 -19.932 6.218 208 H VAL 30 HN VAL 30 -16.460 -16.570 4.126 209 HA VAL 30 HA VAL 30 -18.191 -17.854 2.136 210 HB VAL 30 HB VAL 30 -20.103 -16.461 2.672 211 HG11 VAL 30 HG11 VAL 30 -20.755 -17.471 4.817 212 HG12 VAL 30 HG12 VAL 30 -19.081 -17.957 5.086 213 HG13 VAL 30 HG13 VAL 30 -19.991 -18.637 3.736 214 HG21 VAL 30 HG21 VAL 30 -18.972 -14.508 3.560 215 HG22 VAL 30 HG22 VAL 30 -18.462 -15.417 4.983 216 HG23 VAL 30 HG23 VAL 30 -20.174 -15.089 4.712 217 H ARG 31 HN ARG 31 -19.005 -16.418 0.502 218 HA ARG 31 HA ARG 31 -17.946 -13.730 0.296 219 HB2 ARG 31 HB2 ARG 31 -16.626 -14.130 -1.751 220 HB3 ARG 31 HB1 ARG 31 -15.966 -15.024 -0.386 221 HG2 ARG 31 HG2 ARG 31 -17.146 -17.046 -1.203 222 HG3 ARG 31 HG1 ARG 31 -17.665 -16.131 -2.616 223 HD2 ARG 31 HD2 ARG 31 -15.290 -15.761 -3.204 224 HD3 ARG 31 HD1 ARG 31 -14.817 -16.762 -1.825 225 HE ARG 31 HE ARG 31 -16.634 -17.966 -3.756 226 HH11 ARG 31 HH11 ARG 31 -13.322 -17.667 -2.659 227 HH12 ARG 31 HH12 ARG 31 -12.814 -19.137 -3.410 228 HH21 ARG 31 HH21 ARG 31 -15.969 -19.889 -4.735 229 HH22 ARG 31 HH22 ARG 31 -14.316 -20.409 -4.604 230 H ASN 32 HN ASN 32 -18.937 -12.539 -1.440 231 HA ASN 32 HA ASN 32 -20.365 -13.970 -3.510 232 HB2 ASN 32 HB2 ASN 32 -22.575 -13.265 -3.038 233 HB3 ASN 32 HB1 ASN 32 -21.965 -13.797 -1.477 234 HD21 ASN 32 HD21 ASN 32 -21.107 -12.087 -0.045 235 HD22 ASN 32 HD22 ASN 32 -21.847 -10.530 -0.086 236 H ASN 33 HN ASN 33 -20.497 -12.781 -5.325 237 HA ASN 33 HA ASN 33 -19.999 -11.165 -6.851 238 HB2 ASN 33 HB2 ASN 33 -22.282 -10.620 -5.999 239 HB3 ASN 33 HB1 ASN 33 -21.559 -9.454 -4.899 240 HD21 ASN 33 HD21 ASN 33 -22.751 -7.791 -5.847 241 HD22 ASN 33 HD22 ASN 33 -22.346 -7.135 -7.393 242 H GLU 34 HN GLU 34 -18.207 -11.040 -4.144 243 HA GLU 34 HA GLU 34 -17.153 -8.335 -4.631 244 HB2 GLU 34 HB2 GLU 34 -16.429 -8.322 -2.294 245 HB3 GLU 34 HB1 GLU 34 -18.159 -8.610 -2.422 246 HG2 GLU 34 HG2 GLU 34 -17.635 -11.076 -2.195 247 HG3 GLU 34 HG1 GLU 34 -16.001 -10.588 -1.740 248 H GLY 35 HN GLY 35 -16.313 -11.706 -4.213 249 HA2 GLY 35 HA2 GLY 35 -14.508 -12.780 -5.223 250 HA3 GLY 35 HA1 GLY 35 -13.768 -11.220 -5.538 251 H GLN 36 HN GLN 36 -14.273 -10.539 -2.587 252 HA GLN 36 HA GLN 36 -11.748 -11.619 -1.640 253 HB2 GLN 36 HB2 GLN 36 -11.829 -9.999 0.099 254 HB3 GLN 36 HB1 GLN 36 -12.383 -9.187 -1.359 255 HG2 GLN 36 HG2 GLN 36 -14.657 -9.288 -0.639 256 HG3 GLN 36 HG1 GLN 36 -14.239 -10.328 0.723 257 HE21 GLN 36 HE21 GLN 36 -15.593 -7.779 0.738 258 HE22 GLN 36 HE22 GLN 36 -14.640 -6.718 1.717 259 H TYR 37 HN TYR 37 -11.771 -12.106 0.854 260 HA TYR 37 HA TYR 37 -13.781 -14.218 1.210 261 HB2 TYR 37 HB2 TYR 37 -10.909 -13.974 2.041 262 HB3 TYR 37 HB1 TYR 37 -11.988 -15.060 2.917 263 HD1 TYR 37 HD2 TYR 37 -13.527 -16.493 1.275 264 HD2 TYR 37 HD1 TYR 37 -9.670 -14.967 0.321 265 HE1 TYR 37 HE2 TYR 37 -13.260 -18.247 -0.450 266 HE2 TYR 37 HE1 TYR 37 -9.396 -16.695 -1.408 267 HH TYR 37 HH TYR 37 -10.271 -18.894 -1.971 268 H SER 38 HN SER 38 -15.020 -14.353 2.962 269 HA SER 38 HA SER 38 -14.364 -12.729 5.303 270 HB2 SER 38 HB2 SER 38 -17.162 -13.054 4.167 271 HB3 SER 38 HB1 SER 38 -16.725 -12.132 5.608 272 HG SER 38 HG SER 38 -15.251 -11.319 3.506 273 H VAL 39 HN VAL 39 -15.967 -13.543 7.196 274 HA VAL 39 HA VAL 39 -16.151 -16.479 6.993 275 HB VAL 39 HB VAL 39 -15.647 -16.666 9.391 276 HG11 VAL 39 HG11 VAL 39 -13.495 -15.204 7.848 277 HG12 VAL 39 HG12 VAL 39 -13.851 -16.930 7.736 278 HG13 VAL 39 HG13 VAL 39 -13.242 -16.250 9.253 279 HG21 VAL 39 HG21 VAL 39 -14.737 -14.790 10.659 280 HG22 VAL 39 HG22 VAL 39 -16.381 -14.440 10.120 281 HG23 VAL 39 HG23 VAL 39 -15.006 -13.711 9.287 282 H TRP 40 HN TRP 40 -17.734 -17.449 8.471 283 HA TRP 40 HA TRP 40 -19.978 -15.839 9.331 284 HB2 TRP 40 HB2 TRP 40 -20.178 -15.993 6.821 285 HB3 TRP 40 HB1 TRP 40 -20.273 -17.739 6.983 286 HD1 TRP 40 HD1 TRP 40 -22.608 -18.768 7.655 287 HE1 TRP 40 HE1 TRP 40 -24.975 -17.771 7.825 288 HE3 TRP 40 HE3 TRP 40 -21.408 -13.796 7.582 289 HZ2 TRP 40 HZ2 TRP 40 -26.169 -15.227 7.918 290 HZ3 TRP 40 HZ3 TRP 40 -23.226 -12.143 7.719 291 HH2 TRP 40 HH2 TRP 40 -25.562 -12.846 7.888 292 H MET 41 HN MET 41 -21.241 -17.011 10.786 293 HA MET 41 HA MET 41 -20.013 -19.306 11.922 294 HB2 MET 41 HB2 MET 41 -21.290 -17.649 13.247 295 HB3 MET 41 HB1 MET 41 -22.772 -18.171 12.457 296 HG2 MET 41 HG2 MET 41 -22.520 -20.391 13.426 297 HG3 MET 41 HG1 MET 41 -21.009 -19.898 14.189 298 HE1 MET 41 HE1 MET 41 -23.435 -20.209 17.245 299 HE2 MET 41 HE2 MET 41 -21.883 -20.697 16.561 300 HE3 MET 41 HE3 MET 41 -23.387 -21.234 15.808 301 H ASP 42 HN ASP 42 -20.244 -21.386 11.417 302 HA ASP 42 HA ASP 42 -21.938 -22.243 9.300 303 HB2 ASP 42 HB2 ASP 42 -19.836 -23.394 9.675 304 HB3 ASP 42 HB1 ASP 42 -20.318 -23.832 11.312 305 H GLY 43 HN GLY 43 -23.919 -23.118 9.330 306 HA2 GLY 43 HA2 GLY 43 -25.720 -24.298 10.438 307 HA3 GLY 43 HA1 GLY 43 -25.190 -23.588 11.959 308 H ARG 44 HN ARG 44 -24.760 -21.099 10.060 309 HA ARG 44 HA ARG 44 -27.523 -20.105 10.308 310 HB2 ARG 44 HB2 ARG 44 -25.781 -18.850 11.555 311 HB3 ARG 44 HB1 ARG 44 -24.932 -18.550 10.042 312 HG2 ARG 44 HG2 ARG 44 -26.780 -17.221 9.226 313 HG3 ARG 44 HG1 ARG 44 -27.732 -17.604 10.661 314 HD2 ARG 44 HD2 ARG 44 -26.062 -16.460 12.059 315 HD3 ARG 44 HD1 ARG 44 -25.133 -16.063 10.613 316 HE ARG 44 HE ARG 44 -27.716 -15.106 10.232 317 HH11 ARG 44 HH11 ARG 44 -25.001 -14.483 12.356 318 HH12 ARG 44 HH12 ARG 44 -25.418 -12.815 12.590 319 HH21 ARG 44 HH21 ARG 44 -28.264 -12.919 10.549 320 HH22 ARG 44 HH22 ARG 44 -27.273 -11.933 11.577 321 H SER 45 HN SER 45 -28.622 -20.173 8.471 322 HA SER 45 HA SER 45 -27.393 -20.825 6.003 323 HB2 SER 45 HB2 SER 45 -30.241 -19.952 6.571 324 HB3 SER 45 HB1 SER 45 -29.673 -20.726 5.086 325 HG SER 45 HG SER 45 -28.895 -22.437 6.627 326 H LEU 46 HN LEU 46 -27.077 -19.721 4.186 327 HA LEU 46 HA LEU 46 -26.910 -16.816 4.424 328 HB2 LEU 46 HB2 LEU 46 -25.645 -18.864 2.615 329 HB3 LEU 46 HB1 LEU 46 -25.595 -17.157 2.227 330 HG LEU 46 HG LEU 46 -24.475 -18.364 4.760 331 HD11 LEU 46 HD11 LEU 46 -23.027 -17.395 2.297 332 HD12 LEU 46 HD12 LEU 46 -23.236 -19.084 2.761 333 HD13 LEU 46 HD13 LEU 46 -22.291 -18.000 3.779 334 HD21 LEU 46 HD21 LEU 46 -24.245 -15.585 3.595 335 HD22 LEU 46 HD22 LEU 46 -23.402 -16.172 5.028 336 HD23 LEU 46 HD23 LEU 46 -25.161 -16.038 5.035 337 HA PRO 47 HA PRO 47 -30.154 -16.209 1.426 338 HB2 PRO 47 HB2 PRO 47 -29.572 -13.695 0.624 339 HB3 PRO 47 HB1 PRO 47 -30.227 -14.047 2.227 340 HG2 PRO 47 HG2 PRO 47 -27.415 -13.439 1.420 341 HG3 PRO 47 HG1 PRO 47 -28.301 -12.937 2.870 342 HD2 PRO 47 HD2 PRO 47 -26.485 -15.022 2.775 343 HD3 PRO 47 HD1 PRO 47 -27.760 -14.855 4.001 344 H ALA 48 HN ALA 48 -30.508 -16.131 -0.810 345 HA ALA 48 HA ALA 48 -28.733 -17.510 -2.404 346 HB1 ALA 48 HB1 ALA 48 -31.141 -17.282 -2.869 347 HB2 ALA 48 HB2 ALA 48 -30.156 -16.918 -4.285 348 HB3 ALA 48 HB3 ALA 48 -30.881 -15.606 -3.354 349 H GLY 49 HN GLY 49 -26.994 -17.015 -3.526 350 HA2 GLY 49 HA2 GLY 49 -25.793 -15.469 -4.998 351 HA3 GLY 49 HA1 GLY 49 -26.289 -14.167 -3.922 352 H TRP 50 HN TRP 50 -25.821 -15.652 -1.476 353 HA TRP 50 HA TRP 50 -22.952 -15.228 -1.293 354 HB2 TRP 50 HB2 TRP 50 -25.005 -16.023 0.789 355 HB3 TRP 50 HB1 TRP 50 -23.308 -15.708 1.133 356 HD1 TRP 50 HD1 TRP 50 -26.098 -13.699 -0.715 357 HE1 TRP 50 HE1 TRP 50 -25.999 -11.272 0.123 358 HE3 TRP 50 HE3 TRP 50 -22.207 -14.135 2.578 359 HZ2 TRP 50 HZ2 TRP 50 -24.478 -9.742 1.937 360 HZ3 TRP 50 HZ3 TRP 50 -21.492 -12.137 3.825 361 HH2 TRP 50 HH2 TRP 50 -22.606 -9.988 3.509 362 H GLU 51 HN GLU 51 -21.408 -16.804 -0.858 363 HA GLU 51 HA GLU 51 -22.350 -19.595 -0.946 364 HB2 GLU 51 HB2 GLU 51 -20.610 -20.205 -2.495 365 HB3 GLU 51 HB1 GLU 51 -21.516 -18.864 -3.182 366 HG2 GLU 51 HG2 GLU 51 -19.707 -17.350 -2.258 367 HG3 GLU 51 HG1 GLU 51 -18.777 -18.812 -1.947 368 H THR 52 HN THR 52 -21.113 -21.087 0.087 369 HA THR 52 HA THR 52 -19.356 -20.063 2.196 370 HB THR 52 HB THR 52 -19.700 -22.405 3.161 371 HG1 THR 52 HG1 THR 52 -20.586 -23.054 0.921 372 HG21 THR 52 HG21 THR 52 -20.922 -20.469 4.035 373 HG22 THR 52 HG22 THR 52 -21.946 -21.907 4.027 374 HG23 THR 52 HG23 THR 52 -22.151 -20.673 2.785 375 H VAL 53 HN VAL 53 -17.400 -21.173 2.690 376 HA VAL 53 HA VAL 53 -16.182 -22.889 0.730 377 HB VAL 53 HB VAL 53 -14.254 -21.065 0.483 378 HG11 VAL 53 HG11 VAL 53 -15.471 -22.092 -1.389 379 HG12 VAL 53 HG12 VAL 53 -15.224 -20.368 -1.661 380 HG13 VAL 53 HG13 VAL 53 -16.803 -20.963 -1.148 381 HG21 VAL 53 HG21 VAL 53 -15.310 -19.379 1.893 382 HG22 VAL 53 HG22 VAL 53 -16.719 -19.349 0.834 383 HG23 VAL 53 HG23 VAL 53 -15.154 -18.795 0.236 384 H GLY 54 HN GLY 54 -14.140 -23.651 1.339 385 HA2 GLY 54 HA2 GLY 54 -12.212 -23.765 2.672 386 HA3 GLY 54 HA1 GLY 54 -12.998 -22.755 3.876 387 H GLU 55 HN GLU 55 -12.151 -24.351 5.361 388 HA GLU 55 HA GLU 55 -13.801 -26.775 5.581 389 HB2 GLU 55 HB2 GLU 55 -11.386 -27.150 5.779 390 HB3 GLU 55 HB1 GLU 55 -11.270 -25.929 7.038 391 HG2 GLU 55 HG2 GLU 55 -12.710 -27.323 8.481 392 HG3 GLU 55 HG1 GLU 55 -12.736 -28.555 7.223 393 HA PRO 56 HA PRO 56 -16.051 -24.515 8.756 394 HB2 PRO 56 HB2 PRO 56 -17.472 -26.585 9.782 395 HB3 PRO 56 HB1 PRO 56 -17.896 -25.797 8.268 396 HG2 PRO 56 HG2 PRO 56 -16.430 -28.368 8.726 397 HG3 PRO 56 HG1 PRO 56 -17.676 -27.990 7.521 398 HD2 PRO 56 HD2 PRO 56 -15.031 -28.040 6.934 399 HD3 PRO 56 HD1 PRO 56 -16.170 -26.985 6.099 400 H ALA 57 HN ALA 57 -14.873 -23.891 10.435 401 HA ALA 57 HA ALA 57 -13.829 -25.789 12.378 402 HB1 ALA 57 HB1 ALA 57 -12.002 -23.913 10.862 403 HB2 ALA 57 HB2 ALA 57 -12.056 -25.667 10.677 404 HB3 ALA 57 HB3 ALA 57 -11.531 -24.957 12.203 405 H THR 58 HN THR 58 -12.637 -24.502 14.151 406 HA THR 58 HA THR 58 -14.409 -22.681 15.306 407 HB THR 58 HB THR 58 -12.856 -23.908 16.693 408 HG1 THR 58 HG1 THR 58 -12.095 -22.148 17.962 409 HG21 THR 58 HG21 THR 58 -10.950 -24.012 15.143 410 HG22 THR 58 HG22 THR 58 -10.456 -23.424 16.729 411 HG23 THR 58 HG23 THR 58 -10.654 -22.292 15.394 412 H LYS 59 HN LYS 59 -14.094 -20.425 15.843 413 HA LYS 59 HA LYS 59 -13.869 -18.748 13.661 414 HB2 LYS 59 HB2 LYS 59 -14.954 -18.133 15.795 415 HB3 LYS 59 HB1 LYS 59 -13.380 -18.033 16.569 416 HG2 LYS 59 HG2 LYS 59 -14.217 -15.818 16.037 417 HG3 LYS 59 HG1 LYS 59 -12.771 -16.170 15.089 418 HD2 LYS 59 HD2 LYS 59 -14.102 -16.636 13.132 419 HD3 LYS 59 HD1 LYS 59 -15.593 -16.490 14.062 420 HE2 LYS 59 HE2 LYS 59 -13.612 -14.256 13.575 421 HE3 LYS 59 HE1 LYS 59 -15.118 -14.488 12.690 422 HZ1 LYS 59 HZ1 LYS 59 -16.320 -14.223 14.798 423 HZ2 LYS 59 HZ2 LYS 59 -15.415 -12.853 14.402 424 HZ3 LYS 59 HZ3 LYS 59 -14.857 -13.914 15.591 425 H GLN 60 HN GLN 60 -11.399 -19.508 16.098 426 HA GLN 60 HA GLN 60 -9.350 -17.846 15.265 427 HB2 GLN 60 HB2 GLN 60 -9.166 -19.193 17.294 428 HB3 GLN 60 HB1 GLN 60 -9.140 -20.671 16.340 429 HG2 GLN 60 HG2 GLN 60 -7.012 -19.954 15.317 430 HG3 GLN 60 HG1 GLN 60 -7.035 -18.508 16.321 431 HE21 GLN 60 HE21 GLN 60 -8.046 -21.673 17.456 432 HE22 GLN 60 HE22 GLN 60 -6.731 -21.896 18.551 433 H GLN 61 HN GLN 61 -10.043 -21.158 14.119 434 HA GLN 61 HA GLN 61 -7.906 -21.173 12.236 435 HB2 GLN 61 HB2 GLN 61 -10.368 -22.922 12.432 436 HB3 GLN 61 HB1 GLN 61 -9.038 -23.209 11.317 437 HG2 GLN 61 HG2 GLN 61 -8.859 -23.209 14.330 438 HG3 GLN 61 HG1 GLN 61 -8.870 -24.630 13.287 439 HE21 GLN 61 HE21 GLN 61 -6.857 -23.712 15.202 440 HE22 GLN 61 HE22 GLN 61 -5.384 -23.553 14.306 441 H CYS 62 HN CYS 62 -11.238 -20.161 12.142 442 HA CYS 62 HA CYS 62 -11.588 -20.131 9.348 443 HB2 CYS 62 HB2 CYS 62 -13.333 -19.852 11.276 444 HB3 CYS 62 HB1 CYS 62 -12.952 -18.140 11.143 445 HG CYS 62 HG CYS 62 -13.992 -19.972 8.457 446 H LEU 63 HN LEU 63 -10.655 -17.483 11.604 447 HA LEU 63 HA LEU 63 -10.058 -15.662 9.492 448 HB2 LEU 63 HB2 LEU 63 -8.748 -14.387 11.272 449 HB3 LEU 63 HB1 LEU 63 -10.470 -14.626 11.557 450 HG LEU 63 HG LEU 63 -9.543 -16.721 12.960 451 HD11 LEU 63 HD11 LEU 63 -7.198 -16.337 12.449 452 HD12 LEU 63 HD12 LEU 63 -7.503 -16.100 14.169 453 HD13 LEU 63 HD13 LEU 63 -7.301 -14.705 13.107 454 HD21 LEU 63 HD21 LEU 63 -9.694 -15.323 14.966 455 HD22 LEU 63 HD22 LEU 63 -10.987 -14.953 13.825 456 HD23 LEU 63 HD23 LEU 63 -9.600 -13.873 13.965 457 H GLN 64 HN GLN 64 -8.094 -17.881 11.413 458 HA GLN 64 HA GLN 64 -5.569 -17.094 10.551 459 HB2 GLN 64 HB2 GLN 64 -6.066 -18.632 12.458 460 HB3 GLN 64 HB1 GLN 64 -6.414 -19.902 11.292 461 HG2 GLN 64 HG2 GLN 64 -4.103 -19.728 10.455 462 HG3 GLN 64 HG1 GLN 64 -3.773 -18.511 11.686 463 HE21 GLN 64 HE21 GLN 64 -4.428 -21.876 11.093 464 HE22 GLN 64 HE22 GLN 64 -3.927 -22.453 12.643 465 H ARG 65 HN ARG 65 -7.939 -19.148 9.021 466 HA ARG 65 HA ARG 65 -6.192 -20.293 7.090 467 HB2 ARG 65 HB2 ARG 65 -8.254 -21.412 7.613 468 HB3 ARG 65 HB1 ARG 65 -9.196 -19.993 7.176 469 HG2 ARG 65 HG2 ARG 65 -8.522 -20.250 4.842 470 HG3 ARG 65 HG1 ARG 65 -7.553 -21.661 5.275 471 HD2 ARG 65 HD2 ARG 65 -9.550 -22.853 5.969 472 HD3 ARG 65 HD1 ARG 65 -10.541 -21.429 5.648 473 HE ARG 65 HE ARG 65 -10.046 -21.701 3.298 474 HH11 ARG 65 HH11 ARG 65 -9.194 -24.415 5.347 475 HH12 ARG 65 HH12 ARG 65 -9.292 -25.579 4.055 476 HH21 ARG 65 HH21 ARG 65 -10.132 -23.221 1.601 477 HH22 ARG 65 HH22 ARG 65 -9.809 -24.894 1.928 478 H ILE 66 HN ILE 66 -8.573 -17.622 6.891 479 HA ILE 66 HA ILE 66 -8.073 -17.196 4.112 480 HB ILE 66 HB ILE 66 -9.408 -15.094 4.410 481 HG12 ILE 66 HG12 ILE 66 -9.733 -16.087 7.260 482 HG13 ILE 66 HG11 ILE 66 -8.778 -14.686 6.796 483 HG21 ILE 66 HG21 ILE 66 -10.464 -17.174 3.762 484 HG22 ILE 66 HG22 ILE 66 -11.525 -16.276 4.846 485 HG23 ILE 66 HG23 ILE 66 -10.611 -17.658 5.452 486 HD11 ILE 66 HD11 ILE 66 -10.795 -13.579 5.978 487 HD12 ILE 66 HD12 ILE 66 -10.950 -14.039 7.674 488 HD13 ILE 66 HD13 ILE 66 -11.751 -14.991 6.427 489 H GLU 67 HN GLU 67 -6.883 -15.700 7.058 490 HA GLU 67 HA GLU 67 -5.715 -13.440 5.787 491 HB2 GLU 67 HB2 GLU 67 -4.610 -13.051 7.940 492 HB3 GLU 67 HB1 GLU 67 -6.316 -13.416 8.156 493 HG2 GLU 67 HG2 GLU 67 -5.502 -15.849 8.536 494 HG3 GLU 67 HG1 GLU 67 -3.928 -15.100 8.801 495 H GLN 68 HN GLN 68 -4.491 -16.641 6.676 496 HA GLN 68 HA GLN 68 -1.782 -15.994 5.893 497 HB2 GLN 68 HB2 GLN 68 -3.097 -18.617 6.641 498 HB3 GLN 68 HB1 GLN 68 -1.383 -18.444 6.280 499 HG2 GLN 68 HG2 GLN 68 -2.767 -16.903 8.464 500 HG3 GLN 68 HG1 GLN 68 -2.005 -18.470 8.720 501 HE21 GLN 68 HE21 GLN 68 -0.577 -17.557 10.196 502 HE22 GLN 68 HE22 GLN 68 0.765 -16.586 9.697 503 H LEU 69 HN LEU 69 -4.462 -16.421 4.146 504 HA LEU 69 HA LEU 69 -3.113 -17.794 1.918 505 HB2 LEU 69 HB2 LEU 69 -6.037 -17.240 2.426 506 HB3 LEU 69 HB1 LEU 69 -5.432 -17.785 0.871 507 HG LEU 69 HG LEU 69 -5.224 -19.312 3.478 508 HD11 LEU 69 HD11 LEU 69 -7.503 -19.241 2.606 509 HD12 LEU 69 HD12 LEU 69 -6.815 -20.856 2.452 510 HD13 LEU 69 HD13 LEU 69 -6.932 -19.811 1.036 511 HD21 LEU 69 HD21 LEU 69 -4.376 -21.152 2.096 512 HD22 LEU 69 HD22 LEU 69 -3.309 -19.751 2.031 513 HD23 LEU 69 HD23 LEU 69 -4.390 -20.100 0.680 514 H TRP 70 HN TRP 70 -5.443 -15.126 2.297 515 HA TRP 70 HA TRP 70 -4.494 -13.877 -0.144 516 HB2 TRP 70 HB2 TRP 70 -6.925 -14.046 0.445 517 HB3 TRP 70 HB1 TRP 70 -6.642 -12.951 1.791 518 HD1 TRP 70 HD1 TRP 70 -6.110 -10.355 1.161 519 HE1 TRP 70 HE1 TRP 70 -6.705 -8.983 -0.928 520 HE3 TRP 70 HE3 TRP 70 -7.216 -14.184 -2.055 521 HZ2 TRP 70 HZ2 TRP 70 -7.530 -9.446 -3.576 522 HZ3 TRP 70 HZ3 TRP 70 -7.903 -13.624 -4.351 523 HH2 TRP 70 HH2 TRP 70 -8.057 -11.304 -5.093 524 H THR 71 HN THR 71 -4.851 -12.933 3.257 525 HA THR 71 HA THR 71 -3.478 -10.448 2.949 526 HB THR 71 HB THR 71 -4.131 -11.893 5.532 527 HG1 THR 71 HG1 THR 71 -5.747 -10.249 3.854 528 HG21 THR 71 HG21 THR 71 -4.233 -9.643 6.475 529 HG22 THR 71 HG22 THR 71 -3.863 -8.947 4.897 530 HG23 THR 71 HG23 THR 71 -2.654 -9.920 5.735 531 H ASP 72 HN ASP 72 -2.393 -13.598 3.144 532 HA ASP 72 HA ASP 72 -0.537 -13.846 5.090 533 HB2 ASP 72 HB2 ASP 72 0.414 -15.612 3.905 534 HB3 ASP 72 HB1 ASP 72 -1.219 -15.518 3.266 535 H MET 73 HN MET 73 -0.164 -12.065 2.101 536 HA MET 73 HA MET 73 2.619 -11.580 2.266 537 HB2 MET 73 HB2 MET 73 1.303 -11.273 0.183 538 HB3 MET 73 HB1 MET 73 0.485 -9.899 0.915 539 HG2 MET 73 HG2 MET 73 2.574 -8.678 1.032 540 HG3 MET 73 HG1 MET 73 3.452 -10.070 0.399 541 HE1 MET 73 HE1 MET 73 4.552 -8.532 -1.484 542 HE2 MET 73 HE2 MET 73 3.681 -7.134 -0.853 543 HE3 MET 73 HE3 MET 73 3.617 -7.508 -2.575 544 H VAL 74 HN VAL 74 2.770 -11.169 4.527 545 HA VAL 74 HA VAL 74 1.631 -8.848 5.725 546 HB VAL 74 HB VAL 74 2.150 -10.763 7.099 547 HG11 VAL 74 HG11 VAL 74 4.009 -11.693 5.841 548 HG12 VAL 74 HG12 VAL 74 4.461 -11.487 7.533 549 HG13 VAL 74 HG13 VAL 74 5.039 -10.346 6.320 550 HG21 VAL 74 HG21 VAL 74 3.964 -8.440 7.774 551 HG22 VAL 74 HG22 VAL 74 3.465 -9.707 8.895 552 HG23 VAL 74 HG23 VAL 74 2.264 -8.610 8.214 553 HA PRO 75 HA PRO 75 4.627 -5.866 4.226 554 HB2 PRO 75 HB2 PRO 75 3.706 -4.197 6.487 555 HB3 PRO 75 HB1 PRO 75 3.603 -3.887 4.752 556 HG2 PRO 75 HG2 PRO 75 1.423 -4.476 6.206 557 HG3 PRO 75 HG1 PRO 75 1.603 -5.034 4.531 558 HD2 PRO 75 HD2 PRO 75 2.032 -6.548 7.092 559 HD3 PRO 75 HD1 PRO 75 1.223 -7.072 5.597 560 H ALA 76 HN ALA 76 5.866 -3.996 5.925 561 HA ALA 76 HA ALA 76 8.118 -5.338 6.820 562 HB1 ALA 76 HB1 ALA 76 8.741 -3.267 7.947 563 HB2 ALA 76 HB2 ALA 76 7.086 -2.675 7.800 564 HB3 ALA 76 HB3 ALA 76 8.061 -2.933 6.354 565 H SER 77 HN SER 77 5.084 -4.866 8.424 566 HA SER 77 HA SER 77 5.810 -5.215 11.097 567 HB2 SER 77 HB2 SER 77 3.562 -4.499 10.394 568 HB3 SER 77 HB1 SER 77 3.260 -6.094 9.707 569 HG SER 77 HG SER 77 3.158 -5.241 12.327 570 H VAL 78 HN VAL 78 6.132 -7.430 8.539 571 HA VAL 78 HA VAL 78 5.806 -9.904 9.744 572 HB VAL 78 HB VAL 78 6.427 -9.696 7.391 573 HG11 VAL 78 HG11 VAL 78 9.147 -8.821 8.371 574 HG12 VAL 78 HG12 VAL 78 7.968 -7.822 7.520 575 HG13 VAL 78 HG13 VAL 78 8.724 -9.186 6.697 576 HG21 VAL 78 HG21 VAL 78 8.482 -11.273 8.951 577 HG22 VAL 78 HG22 VAL 78 8.061 -11.517 7.256 578 HG23 VAL 78 HG23 VAL 78 6.864 -11.825 8.514 579 H ARG 79 HN ARG 79 8.550 -7.670 9.918 580 HA ARG 79 HA ARG 79 10.163 -9.260 11.621 581 HB2 ARG 79 HB2 ARG 79 10.080 -6.274 11.132 582 HB3 ARG 79 HB1 ARG 79 11.288 -7.056 12.144 583 HG2 ARG 79 HG2 ARG 79 12.065 -8.356 10.222 584 HG3 ARG 79 HG1 ARG 79 10.849 -7.574 9.206 585 HD2 ARG 79 HD2 ARG 79 13.154 -6.590 9.039 586 HD3 ARG 79 HD1 ARG 79 11.886 -5.442 9.468 587 HE ARG 79 HE ARG 79 12.678 -5.474 11.732 588 HH11 ARG 79 HH11 ARG 79 14.799 -7.024 9.409 589 HH12 ARG 79 HH12 ARG 79 16.192 -6.934 10.441 590 HH21 ARG 79 HH21 ARG 79 14.513 -5.336 13.077 591 HH22 ARG 79 HH22 ARG 79 16.037 -5.949 12.510 592 H GLU 80 HN GLU 80 7.551 -7.036 12.139 593 HA GLU 80 HA GLU 80 7.974 -6.691 14.952 594 HB2 GLU 80 HB2 GLU 80 6.928 -4.923 13.698 595 HB3 GLU 80 HB1 GLU 80 5.678 -6.008 13.108 596 HG2 GLU 80 HG2 GLU 80 4.718 -6.195 15.295 597 HG3 GLU 80 HG1 GLU 80 6.043 -5.277 15.998 598 H HIS 81 HN HIS 81 6.202 -8.909 12.940 599 HA HIS 81 HA HIS 81 4.500 -9.821 15.109 600 HB2 HIS 81 HB2 HIS 81 3.861 -9.642 12.598 601 HB3 HIS 81 HB1 HIS 81 4.741 -11.154 12.412 602 HD1 HIS 81 HD1 HIS 81 3.697 -13.278 13.582 603 HD2 HIS 81 HD2 HIS 81 1.362 -9.842 13.770 604 HE1 HIS 81 HE1 HIS 81 1.408 -14.052 14.259 605 HE2 HIS 81 HE2 HIS 81 -0.026 -11.987 14.162 606 H LEU 82 HN LEU 82 7.501 -10.688 13.636 607 HA LEU 82 HA LEU 82 7.520 -13.308 14.961 608 HB2 LEU 82 HB2 LEU 82 9.186 -12.089 12.777 609 HB3 LEU 82 HB1 LEU 82 9.778 -13.478 13.670 610 HG LEU 82 HG LEU 82 7.805 -14.780 12.934 611 HD11 LEU 82 HD11 LEU 82 6.355 -13.928 11.157 612 HD12 LEU 82 HD12 LEU 82 7.137 -12.351 11.277 613 HD13 LEU 82 HD13 LEU 82 6.202 -12.975 12.635 614 HD21 LEU 82 HD21 LEU 82 9.871 -14.911 11.653 615 HD22 LEU 82 HD22 LEU 82 9.384 -13.518 10.687 616 HD23 LEU 82 HD23 LEU 82 8.474 -15.025 10.585 617 H ASN 83 HN ASN 83 9.442 -10.328 14.716 618 HA ASN 83 HA ASN 83 11.105 -11.180 16.980 619 HB2 ASN 83 HB2 ASN 83 12.297 -10.394 14.987 620 HB3 ASN 83 HB1 ASN 83 11.412 -8.874 15.028 621 HD21 ASN 83 HD21 ASN 83 13.251 -7.619 15.215 622 HD22 ASN 83 HD22 ASN 83 14.213 -7.579 16.652 623 H GLN 84 HN GLN 84 11.397 -9.836 18.796 624 HA GLN 84 HA GLN 84 9.062 -8.452 19.651 625 HB2 GLN 84 HB2 GLN 84 10.415 -7.909 21.680 626 HB3 GLN 84 HB1 GLN 84 10.374 -9.625 21.295 627 HG2 GLN 84 HG2 GLN 84 12.605 -9.487 20.339 628 HG3 GLN 84 HG1 GLN 84 12.643 -7.750 20.637 629 HE21 GLN 84 HE21 GLN 84 14.416 -7.832 21.959 630 HE22 GLN 84 HE22 GLN 84 14.376 -8.505 23.551 631 H HIS 85 HN HIS 85 8.681 -6.770 18.271 632 HA HIS 85 HA HIS 85 10.535 -4.887 17.370 633 HB2 HIS 85 HB2 HIS 85 8.587 -3.481 16.796 634 HB3 HIS 85 HB1 HIS 85 8.379 -5.148 16.286 635 HD1 HIS 85 HD1 HIS 85 6.184 -2.813 17.089 636 HD2 HIS 85 HD2 HIS 85 7.100 -6.343 19.089 637 HE1 HIS 85 HE1 HIS 85 4.144 -3.373 18.446 638 HE2 HIS 85 HE2 HIS 85 4.653 -5.610 19.477 639 H SER 86 HN SER 86 11.845 -4.200 19.041 640 HA SER 86 HA SER 86 10.805 -2.883 21.358 641 HB2 SER 86 HB2 SER 86 13.609 -2.799 20.201 642 HB3 SER 86 HB1 SER 86 13.139 -2.342 21.840 643 HG SER 86 HG SER 86 12.295 -4.625 21.907 644 H GLY 87 HN GLY 87 9.388 -1.333 20.460 645 HA2 GLY 87 HA2 GLY 87 10.043 1.244 20.398 646 HA3 GLY 87 HA1 GLY 87 10.493 0.767 18.767 647 HA PRO 88 HA PRO 88 6.258 2.119 18.054 648 HB2 PRO 88 HB2 PRO 88 6.277 1.803 15.340 649 HB3 PRO 88 HB1 PRO 88 7.030 3.180 16.156 650 HG2 PRO 88 HG2 PRO 88 8.305 0.657 15.141 651 HG3 PRO 88 HG1 PRO 88 8.855 2.335 14.972 652 HD2 PRO 88 HD2 PRO 88 9.904 0.688 16.825 653 HD3 PRO 88 HD1 PRO 88 9.685 2.424 17.138 654 H GLY 89 HN GLY 89 4.322 1.213 16.893 655 HA2 GLY 89 HA2 GLY 89 4.388 -1.714 16.612 656 HA3 GLY 89 HA1 GLY 89 3.286 -1.001 17.781 657 H ILE 90 HN ILE 90 3.858 -1.721 14.478 658 HA ILE 90 HA ILE 90 1.403 -0.305 13.660 659 HB ILE 90 HB ILE 90 3.566 -1.475 11.881 660 HG12 ILE 90 HG12 ILE 90 3.042 1.413 12.657 661 HG13 ILE 90 HG11 ILE 90 4.402 0.438 13.204 662 HG21 ILE 90 HG21 ILE 90 1.353 -1.381 10.824 663 HG22 ILE 90 HG22 ILE 90 2.464 -0.231 10.084 664 HG23 ILE 90 HG23 ILE 90 1.235 0.336 11.215 665 HD11 ILE 90 HD11 ILE 90 5.198 0.281 10.888 666 HD12 ILE 90 HD12 ILE 90 5.082 1.950 11.444 667 HD13 ILE 90 HD13 ILE 90 3.850 1.293 10.367 668 H ASP 91 HN ASP 91 0.082 -1.888 14.629 669 HA ASP 91 HA ASP 91 0.355 -4.682 14.129 670 HB2 ASP 91 HB2 ASP 91 -1.709 -4.900 15.411 671 HB3 ASP 91 HB1 ASP 91 -0.629 -3.756 16.200 672 H TYR 92 HN TYR 92 -0.417 -2.500 11.957 673 HA TYR 92 HA TYR 92 -2.836 -3.621 10.853 674 HB2 TYR 92 HB2 TYR 92 -0.914 -1.600 9.658 675 HB3 TYR 92 HB1 TYR 92 -2.519 -1.989 9.046 676 HD1 TYR 92 HD1 TYR 92 -0.666 -0.394 11.803 677 HD2 TYR 92 HD2 TYR 92 -4.497 -1.069 10.072 678 HE1 TYR 92 HE1 TYR 92 -1.625 1.322 13.267 679 HE2 TYR 92 HE2 TYR 92 -5.464 0.651 11.538 680 HH TYR 92 HH TYR 92 -4.984 1.740 13.659 681 H ALA 93 HN ALA 93 -1.913 -5.787 10.837 682 HA ALA 93 HA ALA 93 -0.781 -6.429 8.236 683 HB1 ALA 93 HB1 ALA 93 1.022 -7.804 9.171 684 HB2 ALA 93 HB2 ALA 93 0.582 -7.290 10.799 685 HB3 ALA 93 HB3 ALA 93 1.211 -6.115 9.646 686 H VAL 94 HN VAL 94 -0.252 -9.124 8.751 687 HA VAL 94 HA VAL 94 -2.905 -10.194 8.923 688 HB VAL 94 HB VAL 94 -1.281 -11.135 7.349 689 HG11 VAL 94 HG11 VAL 94 0.603 -12.489 8.077 690 HG12 VAL 94 HG12 VAL 94 0.251 -12.105 9.764 691 HG13 VAL 94 HG13 VAL 94 0.764 -10.829 8.658 692 HG21 VAL 94 HG21 VAL 94 -1.624 -13.524 7.855 693 HG22 VAL 94 HG22 VAL 94 -3.084 -12.569 8.107 694 HG23 VAL 94 HG23 VAL 94 -2.124 -13.092 9.490 695 H ARG 95 HN ARG 95 -3.826 -11.338 10.559 696 HA ARG 95 HA ARG 95 -3.028 -10.709 13.184 697 HB2 ARG 95 HB2 ARG 95 -5.168 -12.570 12.094 698 HB3 ARG 95 HB1 ARG 95 -4.899 -12.353 13.823 699 HG2 ARG 95 HG2 ARG 95 -5.429 -10.013 13.693 700 HG3 ARG 95 HG1 ARG 95 -5.489 -10.078 11.931 701 HD2 ARG 95 HD2 ARG 95 -7.360 -11.478 13.844 702 HD3 ARG 95 HD1 ARG 95 -7.737 -10.059 12.859 703 HE ARG 95 HE ARG 95 -7.041 -12.692 11.709 704 HH11 ARG 95 HH11 ARG 95 -9.040 -9.815 11.754 705 HH12 ARG 95 HH12 ARG 95 -9.919 -10.267 10.328 706 HH21 ARG 95 HH21 ARG 95 -8.148 -13.265 9.840 707 HH22 ARG 95 HH22 ARG 95 -9.416 -12.237 9.227 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -12.266 -7.734 -28.626 2 H2 MET 1 HT2 MET 1 -10.705 -7.886 -27.991 3 H3 MET 1 HT3 MET 1 -11.735 -6.673 -27.423 4 HA MET 1 HA MET 1 -13.215 -8.277 -26.471 5 HB2 MET 1 HB2 MET 1 -11.187 -10.332 -27.406 6 HB3 MET 1 HB1 MET 1 -12.632 -10.657 -26.458 7 HG2 MET 1 HG2 MET 1 -13.001 -11.281 -28.749 8 HG3 MET 1 HG1 MET 1 -14.017 -9.898 -28.343 9 HE1 MET 1 HE1 MET 1 -14.446 -9.435 -30.950 10 HE2 MET 1 HE2 MET 1 -13.446 -10.833 -31.346 11 HE3 MET 1 HE3 MET 1 -13.145 -9.284 -32.131 12 H ALA 2 HN ALA 2 -12.462 -9.823 -24.518 13 HA ALA 2 HA ALA 2 -10.697 -8.247 -22.921 14 HB1 ALA 2 HB1 ALA 2 -12.601 -9.417 -21.932 15 HB2 ALA 2 HB2 ALA 2 -11.088 -9.937 -21.186 16 HB3 ALA 2 HB3 ALA 2 -11.888 -10.970 -22.372 17 H HIS 3 HN HIS 3 -8.701 -8.243 -23.942 18 HA HIS 3 HA HIS 3 -7.302 -10.484 -24.881 19 HB2 HIS 3 HB2 HIS 3 -6.720 -8.141 -25.448 20 HB3 HIS 3 HB1 HIS 3 -6.167 -7.887 -23.797 21 HD1 HIS 3 HD1 HIS 3 -3.764 -8.353 -23.364 22 HD2 HIS 3 HD2 HIS 3 -5.108 -10.147 -26.865 23 HE1 HIS 3 HE1 HIS 3 -1.723 -9.346 -24.440 24 HE2 HIS 3 HE2 HIS 3 -2.583 -10.556 -26.478 25 H HIS 4 HN HIS 4 -7.229 -8.864 -21.726 26 HA HIS 4 HA HIS 4 -5.519 -10.972 -20.626 27 HB2 HIS 4 HB2 HIS 4 -5.112 -8.522 -20.120 28 HB3 HIS 4 HB1 HIS 4 -6.624 -8.521 -19.219 29 HD1 HIS 4 HD1 HIS 4 -3.103 -9.813 -19.084 30 HD2 HIS 4 HD2 HIS 4 -6.492 -9.698 -16.680 31 HE1 HIS 4 HE1 HIS 4 -2.343 -10.563 -16.808 32 HE2 HIS 4 HE2 HIS 4 -4.385 -10.378 -15.345 33 H HIS 5 HN HIS 5 -8.009 -11.865 -21.469 34 HA HIS 5 HA HIS 5 -9.991 -11.927 -19.499 35 HB2 HIS 5 HB2 HIS 5 -10.739 -14.079 -20.594 36 HB3 HIS 5 HB1 HIS 5 -10.580 -12.699 -21.672 37 HD1 HIS 5 HD1 HIS 5 -9.605 -13.335 -23.823 38 HD2 HIS 5 HD2 HIS 5 -8.103 -15.674 -20.730 39 HE1 HIS 5 HE1 HIS 5 -8.025 -14.962 -24.911 40 HE2 HIS 5 HE2 HIS 5 -7.248 -16.458 -23.039 41 H HIS 6 HN HIS 6 -10.489 -13.353 -17.874 42 HA HIS 6 HA HIS 6 -8.619 -15.395 -17.046 43 HB2 HIS 6 HB2 HIS 6 -8.255 -14.325 -14.795 44 HB3 HIS 6 HB1 HIS 6 -7.473 -13.475 -16.123 45 HD1 HIS 6 HD1 HIS 6 -8.334 -11.115 -16.699 46 HD2 HIS 6 HD2 HIS 6 -10.347 -12.910 -13.533 47 HE1 HIS 6 HE1 HIS 6 -9.672 -9.278 -15.621 48 HE2 HIS 6 HE2 HIS 6 -10.911 -10.393 -13.730 49 H HIS 7 HN HIS 7 -9.442 -15.951 -14.555 50 HA HIS 7 HA HIS 7 -12.380 -15.970 -14.620 51 HB2 HIS 7 HB2 HIS 7 -10.640 -18.419 -14.216 52 HB3 HIS 7 HB1 HIS 7 -12.378 -18.375 -13.946 53 HD1 HIS 7 HD1 HIS 7 -9.936 -19.149 -16.472 54 HD2 HIS 7 HD2 HIS 7 -13.831 -17.706 -16.451 55 HE1 HIS 7 HE1 HIS 7 -10.803 -19.524 -18.798 56 HE2 HIS 7 HE2 HIS 7 -13.225 -18.850 -18.689 57 H HIS 8 HN HIS 8 -10.047 -17.651 -12.536 58 HA HIS 8 HA HIS 8 -10.177 -15.928 -10.336 59 HB2 HIS 8 HB2 HIS 8 -11.709 -17.363 -8.873 60 HB3 HIS 8 HB1 HIS 8 -12.498 -16.364 -10.084 61 HD1 HIS 8 HD1 HIS 8 -14.252 -17.530 -11.364 62 HD2 HIS 8 HD2 HIS 8 -11.390 -20.183 -9.942 63 HE1 HIS 8 HE1 HIS 8 -15.042 -19.813 -12.056 64 HE2 HIS 8 HE2 HIS 8 -13.182 -21.367 -11.373 65 H MET 9 HN MET 9 -8.405 -16.447 -9.216 66 HA MET 9 HA MET 9 -7.177 -19.037 -9.512 67 HB2 MET 9 HB2 MET 9 -6.405 -16.640 -7.827 68 HB3 MET 9 HB1 MET 9 -5.437 -18.101 -7.972 69 HG2 MET 9 HG2 MET 9 -5.181 -17.702 -10.368 70 HG3 MET 9 HG1 MET 9 -6.166 -16.245 -10.235 71 HE1 MET 9 HE1 MET 9 -2.811 -17.998 -9.218 72 HE2 MET 9 HE2 MET 9 -3.460 -17.536 -7.642 73 HE3 MET 9 HE3 MET 9 -2.014 -16.744 -8.268 74 H GLY 10 HN GLY 10 -8.462 -17.166 -6.764 75 HA2 GLY 10 HA2 GLY 10 -8.253 -19.406 -4.965 76 HA3 GLY 10 HA1 GLY 10 -8.939 -17.831 -4.605 77 H THR 11 HN THR 11 -9.626 -21.052 -5.092 78 HA THR 11 HA THR 11 -12.505 -20.487 -5.443 79 HB THR 11 HB THR 11 -12.682 -22.908 -6.115 80 HG1 THR 11 HG1 THR 11 -10.391 -23.619 -6.884 81 HG21 THR 11 HG21 THR 11 -10.829 -21.226 -7.822 82 HG22 THR 11 HG22 THR 11 -12.592 -21.144 -7.825 83 HG23 THR 11 HG23 THR 11 -11.777 -22.607 -8.376 84 H LEU 12 HN LEU 12 -10.494 -23.080 -4.105 85 HA LEU 12 HA LEU 12 -12.004 -22.942 -1.569 86 HB2 LEU 12 HB2 LEU 12 -10.627 -25.316 -2.861 87 HB3 LEU 12 HB1 LEU 12 -11.397 -25.339 -1.285 88 HG LEU 12 HG LEU 12 -12.819 -24.873 -3.917 89 HD11 LEU 12 HD11 LEU 12 -12.809 -27.284 -2.097 90 HD12 LEU 12 HD12 LEU 12 -12.027 -27.177 -3.674 91 HD13 LEU 12 HD13 LEU 12 -13.784 -27.087 -3.554 92 HD21 LEU 12 HD21 LEU 12 -13.901 -25.167 -1.109 93 HD22 LEU 12 HD22 LEU 12 -14.872 -25.086 -2.580 94 HD23 LEU 12 HD23 LEU 12 -13.907 -23.695 -2.082 95 H GLU 13 HN GLU 13 -10.237 -24.582 -0.109 96 HA GLU 13 HA GLU 13 -7.823 -22.905 0.026 97 HB2 GLU 13 HB2 GLU 13 -7.531 -23.911 2.288 98 HB3 GLU 13 HB1 GLU 13 -9.020 -22.991 2.120 99 HG2 GLU 13 HG2 GLU 13 -10.345 -24.955 2.046 100 HG3 GLU 13 HG1 GLU 13 -8.935 -25.986 1.810 101 H ALA 14 HN ALA 14 -6.091 -24.611 1.295 102 HA ALA 14 HA ALA 14 -5.157 -26.353 -0.724 103 HB1 ALA 14 HB1 ALA 14 -4.481 -26.331 2.221 104 HB2 ALA 14 HB2 ALA 14 -3.681 -25.371 0.976 105 HB3 ALA 14 HB3 ALA 14 -3.551 -27.130 0.953 106 H GLN 15 HN GLN 15 -7.617 -26.644 1.542 107 HA GLN 15 HA GLN 15 -9.123 -28.223 2.049 108 HB2 GLN 15 HB2 GLN 15 -7.811 -29.852 -0.142 109 HB3 GLN 15 HB1 GLN 15 -9.352 -30.223 0.628 110 HG2 GLN 15 HG2 GLN 15 -10.263 -28.095 -0.209 111 HG3 GLN 15 HG1 GLN 15 -8.728 -27.762 -1.007 112 HE21 GLN 15 HE21 GLN 15 -9.619 -27.692 -3.043 113 HE22 GLN 15 HE22 GLN 15 -10.216 -29.093 -3.859 114 H THR 16 HN THR 16 -8.092 -28.265 4.046 115 HA THR 16 HA THR 16 -6.069 -30.338 4.508 116 HB THR 16 HB THR 16 -5.727 -29.187 6.685 117 HG1 THR 16 HG1 THR 16 -7.483 -27.161 5.701 118 HG21 THR 16 HG21 THR 16 -4.389 -28.516 4.735 119 HG22 THR 16 HG22 THR 16 -4.714 -27.140 5.793 120 HG23 THR 16 HG23 THR 16 -5.623 -27.335 4.294 121 H GLN 17 HN GLN 17 -9.356 -30.007 4.692 122 HA GLN 17 HA GLN 17 -11.042 -30.651 6.068 123 HB2 GLN 17 HB2 GLN 17 -11.197 -33.049 6.444 124 HB3 GLN 17 HB1 GLN 17 -10.640 -32.702 4.820 125 HG2 GLN 17 HG2 GLN 17 -8.434 -33.141 6.671 126 HG3 GLN 17 HG1 GLN 17 -9.540 -34.508 6.606 127 HE21 GLN 17 HE21 GLN 17 -7.190 -32.654 4.888 128 HE22 GLN 17 HE22 GLN 17 -7.082 -33.678 3.503 129 H GLY 18 HN GLY 18 -9.539 -29.087 7.492 130 HA2 GLY 18 HA2 GLY 18 -8.308 -30.013 9.799 131 HA3 GLY 18 HA1 GLY 18 -9.077 -28.443 9.636 132 HA PRO 19 HA PRO 19 -11.598 -31.515 12.323 133 HB2 PRO 19 HB2 PRO 19 -10.455 -31.419 14.755 134 HB3 PRO 19 HB1 PRO 19 -9.865 -32.515 13.500 135 HG2 PRO 19 HG2 PRO 19 -8.782 -29.847 14.339 136 HG3 PRO 19 HG1 PRO 19 -7.905 -31.353 14.008 137 HD2 PRO 19 HD2 PRO 19 -8.133 -29.323 12.191 138 HD3 PRO 19 HD1 PRO 19 -7.958 -31.028 11.726 139 H GLY 20 HN GLY 20 -10.282 -28.335 12.884 140 HA2 GLY 20 HA2 GLY 20 -11.127 -26.443 13.878 141 HA3 GLY 20 HA1 GLY 20 -12.718 -27.166 13.676 142 H SER 21 HN SER 21 -9.965 -28.340 15.552 143 HA SER 21 HA SER 21 -11.655 -28.892 17.806 144 HB2 SER 21 HB2 SER 21 -9.799 -30.397 17.120 145 HB3 SER 21 HB1 SER 21 -8.641 -29.137 17.546 146 HG SER 21 HG SER 21 -9.880 -30.933 19.133 147 H MET 22 HN MET 22 -10.378 -28.365 20.039 148 HA MET 22 HA MET 22 -10.082 -26.800 21.649 149 HB2 MET 22 HB2 MET 22 -8.825 -25.208 19.393 150 HB3 MET 22 HB1 MET 22 -8.716 -24.790 21.098 151 HG2 MET 22 HG2 MET 22 -7.558 -26.934 21.518 152 HG3 MET 22 HG1 MET 22 -7.604 -27.267 19.786 153 HE1 MET 22 HE1 MET 22 -4.912 -27.381 21.386 154 HE2 MET 22 HE2 MET 22 -3.823 -26.479 20.329 155 HE3 MET 22 HE3 MET 22 -4.995 -27.602 19.637 156 H ASP 23 HN ASP 23 -12.457 -26.828 19.853 157 HA ASP 23 HA ASP 23 -13.896 -24.716 21.064 158 HB2 ASP 23 HB2 ASP 23 -12.603 -23.491 19.218 159 HB3 ASP 23 HB1 ASP 23 -13.567 -24.401 18.062 160 H ASP 24 HN ASP 24 -16.120 -24.574 19.398 161 HA ASP 24 HA ASP 24 -16.794 -27.361 18.744 162 HB2 ASP 24 HB2 ASP 24 -17.623 -26.869 21.034 163 HB3 ASP 24 HB1 ASP 24 -18.545 -25.513 20.394 164 H GLU 25 HN GLU 25 -18.175 -24.086 18.779 165 HA GLU 25 HA GLU 25 -19.755 -24.634 16.419 166 HB2 GLU 25 HB2 GLU 25 -19.417 -21.971 17.805 167 HB3 GLU 25 HB1 GLU 25 -20.757 -22.502 16.797 168 HG2 GLU 25 HG2 GLU 25 -21.452 -24.083 18.496 169 HG3 GLU 25 HG1 GLU 25 -20.058 -23.659 19.491 170 H LEU 26 HN LEU 26 -18.497 -24.803 14.635 171 HA LEU 26 HA LEU 26 -16.200 -23.095 14.273 172 HB2 LEU 26 HB2 LEU 26 -17.348 -25.123 12.350 173 HB3 LEU 26 HB1 LEU 26 -15.755 -24.388 12.275 174 HG LEU 26 HG LEU 26 -16.773 -26.361 14.264 175 HD11 LEU 26 HD11 LEU 26 -16.035 -27.367 12.215 176 HD12 LEU 26 HD12 LEU 26 -14.908 -27.749 13.517 177 HD13 LEU 26 HD13 LEU 26 -14.498 -26.512 12.330 178 HD21 LEU 26 HD21 LEU 26 -14.205 -24.805 14.380 179 HD22 LEU 26 HD22 LEU 26 -14.555 -26.222 15.369 180 HD23 LEU 26 HD23 LEU 26 -15.525 -24.760 15.550 181 H TYR 27 HN TYR 27 -15.814 -22.110 12.203 182 HA TYR 27 HA TYR 27 -18.176 -20.801 11.041 183 HB2 TYR 27 HB2 TYR 27 -15.426 -19.751 11.710 184 HB3 TYR 27 HB1 TYR 27 -16.372 -19.001 10.432 185 HD1 TYR 27 HD1 TYR 27 -17.447 -20.299 13.784 186 HD2 TYR 27 HD2 TYR 27 -16.987 -16.927 11.225 187 HE1 TYR 27 HE1 TYR 27 -18.598 -18.894 15.439 188 HE2 TYR 27 HE2 TYR 27 -18.131 -15.512 12.871 189 HH TYR 27 HH TYR 27 -18.793 -16.559 16.065 190 H PHE 28 HN PHE 28 -18.219 -20.601 8.821 191 HA PHE 28 HA PHE 28 -16.049 -21.875 7.291 192 HB2 PHE 28 HB2 PHE 28 -18.982 -21.700 6.882 193 HB3 PHE 28 HB1 PHE 28 -18.016 -21.417 5.438 194 HD1 PHE 28 HD1 PHE 28 -15.868 -23.199 5.473 195 HD2 PHE 28 HD2 PHE 28 -19.797 -23.838 6.941 196 HE1 PHE 28 HE1 PHE 28 -15.594 -25.617 5.167 197 HE2 PHE 28 HE2 PHE 28 -19.505 -26.274 6.652 198 HZ PHE 28 HZ PHE 28 -17.414 -27.153 5.747 199 H VAL 29 HN VAL 29 -15.526 -20.782 5.234 200 HA VAL 29 HA VAL 29 -15.516 -17.873 5.597 201 HB VAL 29 HB VAL 29 -14.013 -19.751 3.757 202 HG11 VAL 29 HG11 VAL 29 -12.828 -17.760 2.881 203 HG12 VAL 29 HG12 VAL 29 -14.005 -16.733 3.702 204 HG13 VAL 29 HG13 VAL 29 -14.525 -17.825 2.412 205 HG21 VAL 29 HG21 VAL 29 -13.183 -19.600 6.058 206 HG22 VAL 29 HG22 VAL 29 -13.079 -17.846 5.915 207 HG23 VAL 29 HG23 VAL 29 -12.039 -18.874 4.930 208 H VAL 30 HN VAL 30 -16.656 -16.519 4.159 209 HA VAL 30 HA VAL 30 -18.274 -17.838 2.091 210 HB VAL 30 HB VAL 30 -20.333 -16.867 2.823 211 HG11 VAL 30 HG11 VAL 30 -20.694 -18.014 4.971 212 HG12 VAL 30 HG12 VAL 30 -18.954 -18.211 5.147 213 HG13 VAL 30 HG13 VAL 30 -19.801 -19.009 3.822 214 HG21 VAL 30 HG21 VAL 30 -18.768 -15.574 5.060 215 HG22 VAL 30 HG22 VAL 30 -20.528 -15.562 4.909 216 HG23 VAL 30 HG23 VAL 30 -19.535 -14.758 3.694 217 H ARG 31 HN ARG 31 -19.398 -16.313 0.681 218 HA ARG 31 HA ARG 31 -18.820 -13.499 0.777 219 HB2 ARG 31 HB2 ARG 31 -17.439 -13.339 -1.247 220 HB3 ARG 31 HB1 ARG 31 -16.613 -14.267 -0.003 221 HG2 ARG 31 HG2 ARG 31 -17.220 -16.345 -1.112 222 HG3 ARG 31 HG1 ARG 31 -18.113 -15.447 -2.336 223 HD2 ARG 31 HD2 ARG 31 -16.038 -14.371 -3.062 224 HD3 ARG 31 HD1 ARG 31 -15.143 -15.259 -1.825 225 HE ARG 31 HE ARG 31 -16.588 -17.056 -3.466 226 HH11 ARG 31 HH11 ARG 31 -13.749 -14.989 -3.547 227 HH12 ARG 31 HH12 ARG 31 -12.937 -15.962 -4.729 228 HH21 ARG 31 HH21 ARG 31 -15.517 -18.335 -4.983 229 HH22 ARG 31 HH22 ARG 31 -13.951 -17.861 -5.562 230 H ASN 32 HN ASN 32 -19.676 -12.376 -1.240 231 HA ASN 32 HA ASN 32 -21.089 -14.049 -3.158 232 HB2 ASN 32 HB2 ASN 32 -23.269 -13.144 -2.814 233 HB3 ASN 32 HB1 ASN 32 -22.697 -13.598 -1.212 234 HD21 ASN 32 HD21 ASN 32 -21.790 -11.871 0.123 235 HD22 ASN 32 HD22 ASN 32 -22.409 -10.268 -0.040 236 H ASN 33 HN ASN 33 -21.141 -13.107 -5.130 237 HA ASN 33 HA ASN 33 -20.724 -11.662 -6.838 238 HB2 ASN 33 HB2 ASN 33 -22.913 -10.898 -6.009 239 HB3 ASN 33 HB1 ASN 33 -22.109 -9.755 -4.943 240 HD21 ASN 33 HD21 ASN 33 -23.117 -7.992 -5.849 241 HD22 ASN 33 HD22 ASN 33 -22.724 -7.397 -7.425 242 H GLU 34 HN GLU 34 -18.777 -11.440 -4.276 243 HA GLU 34 HA GLU 34 -17.670 -8.779 -4.912 244 HB2 GLU 34 HB2 GLU 34 -16.874 -8.702 -2.604 245 HB3 GLU 34 HB1 GLU 34 -18.608 -8.982 -2.651 246 HG2 GLU 34 HG2 GLU 34 -18.103 -11.442 -2.366 247 HG3 GLU 34 HG1 GLU 34 -16.438 -10.970 -2.031 248 H GLY 35 HN GLY 35 -16.911 -12.160 -4.452 249 HA2 GLY 35 HA2 GLY 35 -15.046 -13.348 -5.136 250 HA3 GLY 35 HA1 GLY 35 -14.329 -11.849 -5.703 251 H GLN 36 HN GLN 36 -14.832 -10.657 -2.948 252 HA GLN 36 HA GLN 36 -12.332 -11.372 -1.758 253 HB2 GLN 36 HB2 GLN 36 -14.595 -9.629 -0.756 254 HB3 GLN 36 HB1 GLN 36 -13.063 -9.829 0.086 255 HG2 GLN 36 HG2 GLN 36 -11.914 -8.938 -1.946 256 HG3 GLN 36 HG1 GLN 36 -13.503 -8.592 -2.628 257 HE21 GLN 36 HE21 GLN 36 -11.316 -6.777 -1.911 258 HE22 GLN 36 HE22 GLN 36 -11.998 -5.635 -0.809 259 H TYR 37 HN TYR 37 -12.414 -11.758 0.793 260 HA TYR 37 HA TYR 37 -14.286 -13.999 1.198 261 HB2 TYR 37 HB2 TYR 37 -11.323 -13.856 1.656 262 HB3 TYR 37 HB1 TYR 37 -12.309 -14.938 2.639 263 HD1 TYR 37 HD2 TYR 37 -14.283 -15.916 0.834 264 HD2 TYR 37 HD1 TYR 37 -10.153 -15.195 0.121 265 HE1 TYR 37 HE2 TYR 37 -14.300 -17.599 -0.979 266 HE2 TYR 37 HE1 TYR 37 -10.155 -16.869 -1.680 267 HH TYR 37 HH TYR 37 -13.057 -18.233 -2.928 268 H SER 38 HN SER 38 -15.451 -13.992 2.959 269 HA SER 38 HA SER 38 -14.417 -12.616 5.329 270 HB2 SER 38 HB2 SER 38 -17.315 -12.687 4.428 271 HB3 SER 38 HB1 SER 38 -16.733 -11.964 5.926 272 HG SER 38 HG SER 38 -16.011 -11.160 3.295 273 H VAL 39 HN VAL 39 -15.845 -13.462 7.335 274 HA VAL 39 HA VAL 39 -16.039 -16.395 7.029 275 HB VAL 39 HB VAL 39 -15.314 -16.648 9.355 276 HG11 VAL 39 HG11 VAL 39 -13.395 -15.005 7.693 277 HG12 VAL 39 HG12 VAL 39 -13.645 -16.749 7.572 278 HG13 VAL 39 HG13 VAL 39 -12.955 -16.054 9.043 279 HG21 VAL 39 HG21 VAL 39 -14.360 -14.734 10.584 280 HG22 VAL 39 HG22 VAL 39 -16.086 -14.541 10.280 281 HG23 VAL 39 HG23 VAL 39 -14.915 -13.649 9.307 282 H TRP 40 HN TRP 40 -17.598 -17.476 8.303 283 HA TRP 40 HA TRP 40 -19.813 -15.904 9.372 284 HB2 TRP 40 HB2 TRP 40 -20.061 -15.976 6.882 285 HB3 TRP 40 HB1 TRP 40 -20.102 -17.729 6.967 286 HD1 TRP 40 HD1 TRP 40 -22.413 -18.845 7.459 287 HE1 TRP 40 HE1 TRP 40 -24.800 -17.934 7.745 288 HE3 TRP 40 HE3 TRP 40 -21.335 -13.871 7.955 289 HZ2 TRP 40 HZ2 TRP 40 -26.060 -15.454 8.131 290 HZ3 TRP 40 HZ3 TRP 40 -23.195 -12.291 8.276 291 HH2 TRP 40 HH2 TRP 40 -25.513 -13.067 8.365 292 H MET 41 HN MET 41 -20.997 -17.075 10.843 293 HA MET 41 HA MET 41 -19.848 -19.394 11.946 294 HB2 MET 41 HB2 MET 41 -21.213 -17.745 13.214 295 HB3 MET 41 HB1 MET 41 -22.647 -18.316 12.374 296 HG2 MET 41 HG2 MET 41 -22.348 -20.532 13.360 297 HG3 MET 41 HG1 MET 41 -20.909 -19.959 14.207 298 HE1 MET 41 HE1 MET 41 -21.767 -20.668 16.557 299 HE2 MET 41 HE2 MET 41 -23.203 -21.375 15.816 300 HE3 MET 41 HE3 MET 41 -23.368 -20.283 17.192 301 H ASP 42 HN ASP 42 -20.056 -21.487 11.414 302 HA ASP 42 HA ASP 42 -21.588 -22.332 9.193 303 HB2 ASP 42 HB2 ASP 42 -19.548 -23.519 9.856 304 HB3 ASP 42 HB1 ASP 42 -20.295 -23.992 11.379 305 H GLY 43 HN GLY 43 -23.469 -23.564 9.085 306 HA2 GLY 43 HA2 GLY 43 -25.434 -24.557 9.976 307 HA3 GLY 43 HA1 GLY 43 -25.074 -23.827 11.536 308 H ARG 44 HN ARG 44 -24.508 -21.215 10.499 309 HA ARG 44 HA ARG 44 -27.135 -20.117 10.401 310 HB2 ARG 44 HB2 ARG 44 -24.616 -19.151 11.027 311 HB3 ARG 44 HB1 ARG 44 -24.943 -18.367 9.488 312 HG2 ARG 44 HG2 ARG 44 -26.980 -17.391 10.380 313 HG3 ARG 44 HG1 ARG 44 -26.746 -18.248 11.907 314 HD2 ARG 44 HD2 ARG 44 -24.506 -17.039 12.061 315 HD3 ARG 44 HD1 ARG 44 -25.084 -16.021 10.741 316 HE ARG 44 HE ARG 44 -27.041 -15.572 12.342 317 HH11 ARG 44 HH11 ARG 44 -23.721 -16.089 13.343 318 HH12 ARG 44 HH12 ARG 44 -23.901 -15.218 14.829 319 HH21 ARG 44 HH21 ARG 44 -27.279 -14.438 14.309 320 HH22 ARG 44 HH22 ARG 44 -25.919 -14.291 15.382 321 H SER 45 HN SER 45 -28.275 -20.758 8.652 322 HA SER 45 HA SER 45 -27.188 -21.373 6.141 323 HB2 SER 45 HB2 SER 45 -30.075 -20.666 6.728 324 HB3 SER 45 HB1 SER 45 -29.468 -21.694 5.425 325 HG SER 45 HG SER 45 -28.499 -22.747 7.601 326 H LEU 46 HN LEU 46 -26.628 -20.226 4.501 327 HA LEU 46 HA LEU 46 -26.996 -17.362 4.458 328 HB2 LEU 46 HB2 LEU 46 -25.473 -19.327 2.754 329 HB3 LEU 46 HB1 LEU 46 -25.603 -17.638 2.331 330 HG LEU 46 HG LEU 46 -24.400 -18.637 4.913 331 HD11 LEU 46 HD11 LEU 46 -22.242 -18.047 3.905 332 HD12 LEU 46 HD12 LEU 46 -23.045 -17.709 2.377 333 HD13 LEU 46 HD13 LEU 46 -23.036 -19.349 3.027 334 HD21 LEU 46 HD21 LEU 46 -23.535 -16.353 5.098 335 HD22 LEU 46 HD22 LEU 46 -25.299 -16.367 5.051 336 HD23 LEU 46 HD23 LEU 46 -24.382 -15.906 3.616 337 HA PRO 47 HA PRO 47 -30.307 -17.481 1.464 338 HB2 PRO 47 HB2 PRO 47 -30.207 -14.920 0.594 339 HB3 PRO 47 HB1 PRO 47 -30.804 -15.356 2.199 340 HG2 PRO 47 HG2 PRO 47 -28.174 -14.204 1.402 341 HG3 PRO 47 HG1 PRO 47 -29.144 -13.898 2.853 342 HD2 PRO 47 HD2 PRO 47 -26.930 -15.580 2.725 343 HD3 PRO 47 HD1 PRO 47 -28.176 -15.630 3.987 344 H ALA 48 HN ALA 48 -30.701 -17.292 -0.823 345 HA ALA 48 HA ALA 48 -28.740 -18.418 -2.424 346 HB1 ALA 48 HB1 ALA 48 -31.132 -16.811 -3.328 347 HB2 ALA 48 HB2 ALA 48 -31.132 -18.530 -2.934 348 HB3 ALA 48 HB3 ALA 48 -30.208 -17.944 -4.317 349 H GLY 49 HN GLY 49 -27.066 -17.662 -3.519 350 HA2 GLY 49 HA2 GLY 49 -26.052 -15.900 -4.884 351 HA3 GLY 49 HA1 GLY 49 -26.750 -14.727 -3.774 352 H TRP 50 HN TRP 50 -26.133 -16.211 -1.371 353 HA TRP 50 HA TRP 50 -23.337 -15.472 -1.108 354 HB2 TRP 50 HB2 TRP 50 -25.395 -16.479 0.867 355 HB3 TRP 50 HB1 TRP 50 -23.714 -16.190 1.303 356 HD1 TRP 50 HD1 TRP 50 -26.672 -14.161 -0.212 357 HE1 TRP 50 HE1 TRP 50 -26.496 -11.750 0.669 358 HE3 TRP 50 HE3 TRP 50 -22.330 -14.591 2.451 359 HZ2 TRP 50 HZ2 TRP 50 -24.749 -10.231 2.287 360 HZ3 TRP 50 HZ3 TRP 50 -21.472 -12.613 3.636 361 HH2 TRP 50 HH2 TRP 50 -22.656 -10.478 3.553 362 H GLU 51 HN GLU 51 -21.645 -16.840 -0.904 363 HA GLU 51 HA GLU 51 -22.207 -19.719 -1.219 364 HB2 GLU 51 HB2 GLU 51 -20.301 -19.908 -2.686 365 HB3 GLU 51 HB1 GLU 51 -21.329 -18.613 -3.291 366 HG2 GLU 51 HG2 GLU 51 -19.814 -17.024 -2.019 367 HG3 GLU 51 HG1 GLU 51 -18.719 -18.386 -1.826 368 H THR 52 HN THR 52 -20.870 -21.150 -0.206 369 HA THR 52 HA THR 52 -19.282 -20.102 2.035 370 HB THR 52 HB THR 52 -19.567 -22.417 2.993 371 HG1 THR 52 HG1 THR 52 -20.293 -23.854 1.626 372 HG21 THR 52 HG21 THR 52 -22.143 -20.950 2.406 373 HG22 THR 52 HG22 THR 52 -21.015 -20.563 3.705 374 HG23 THR 52 HG23 THR 52 -21.875 -22.101 3.716 375 H VAL 53 HN VAL 53 -17.340 -21.332 2.613 376 HA VAL 53 HA VAL 53 -16.011 -22.941 0.657 377 HB VAL 53 HB VAL 53 -14.119 -21.035 0.464 378 HG11 VAL 53 HG11 VAL 53 -16.538 -21.216 -1.340 379 HG12 VAL 53 HG12 VAL 53 -15.086 -22.214 -1.437 380 HG13 VAL 53 HG13 VAL 53 -14.990 -20.485 -1.769 381 HG21 VAL 53 HG21 VAL 53 -15.317 -19.334 1.682 382 HG22 VAL 53 HG22 VAL 53 -16.698 -19.476 0.596 383 HG23 VAL 53 HG23 VAL 53 -15.165 -18.854 -0.006 384 H GLY 54 HN GLY 54 -13.865 -23.510 1.252 385 HA2 GLY 54 HA2 GLY 54 -12.036 -23.721 2.679 386 HA3 GLY 54 HA1 GLY 54 -12.832 -22.662 3.835 387 H GLU 55 HN GLU 55 -11.792 -24.546 5.119 388 HA GLU 55 HA GLU 55 -13.809 -26.632 5.542 389 HB2 GLU 55 HB2 GLU 55 -10.891 -26.525 5.771 390 HB3 GLU 55 HB1 GLU 55 -11.642 -27.144 7.241 391 HG2 GLU 55 HG2 GLU 55 -11.229 -29.048 5.993 392 HG3 GLU 55 HG1 GLU 55 -12.931 -28.729 5.690 393 HA PRO 56 HA PRO 56 -15.373 -24.382 8.946 394 HB2 PRO 56 HB2 PRO 56 -16.201 -26.384 10.636 395 HB3 PRO 56 HB1 PRO 56 -17.068 -25.898 9.178 396 HG2 PRO 56 HG2 PRO 56 -15.199 -28.199 9.582 397 HG3 PRO 56 HG1 PRO 56 -16.726 -28.140 8.682 398 HD2 PRO 56 HD2 PRO 56 -14.332 -28.036 7.444 399 HD3 PRO 56 HD1 PRO 56 -15.736 -27.174 6.825 400 H ALA 57 HN ALA 57 -14.735 -23.485 10.832 401 HA ALA 57 HA ALA 57 -12.963 -24.619 12.722 402 HB1 ALA 57 HB1 ALA 57 -10.907 -23.409 12.195 403 HB2 ALA 57 HB2 ALA 57 -11.653 -22.736 10.745 404 HB3 ALA 57 HB3 ALA 57 -11.351 -24.471 10.856 405 H THR 58 HN THR 58 -12.595 -23.155 14.480 406 HA THR 58 HA THR 58 -14.677 -21.320 14.877 407 HB THR 58 HB THR 58 -13.457 -22.482 16.714 408 HG1 THR 58 HG1 THR 58 -14.491 -20.922 17.710 409 HG21 THR 58 HG21 THR 58 -11.166 -22.083 15.834 410 HG22 THR 58 HG22 THR 58 -11.345 -21.617 17.524 411 HG23 THR 58 HG23 THR 58 -11.325 -20.381 16.265 412 H LYS 59 HN LYS 59 -14.240 -18.993 15.651 413 HA LYS 59 HA LYS 59 -13.849 -17.405 13.470 414 HB2 LYS 59 HB2 LYS 59 -14.930 -16.543 15.428 415 HB3 LYS 59 HB1 LYS 59 -13.483 -16.761 16.397 416 HG2 LYS 59 HG2 LYS 59 -13.743 -14.433 15.955 417 HG3 LYS 59 HG1 LYS 59 -12.356 -15.017 15.036 418 HD2 LYS 59 HD2 LYS 59 -13.727 -15.091 13.002 419 HD3 LYS 59 HD1 LYS 59 -15.134 -14.542 13.917 420 HE2 LYS 59 HE2 LYS 59 -13.905 -12.460 14.480 421 HE3 LYS 59 HE1 LYS 59 -12.564 -13.007 13.479 422 HZ1 LYS 59 HZ1 LYS 59 -14.036 -12.965 11.555 423 HZ2 LYS 59 HZ2 LYS 59 -13.965 -11.451 12.298 424 HZ3 LYS 59 HZ3 LYS 59 -15.321 -12.436 12.525 425 H GLN 60 HN GLN 60 -11.386 -18.030 15.988 426 HA GLN 60 HA GLN 60 -9.371 -16.406 14.964 427 HB2 GLN 60 HB2 GLN 60 -9.273 -17.414 17.191 428 HB3 GLN 60 HB1 GLN 60 -9.082 -19.012 16.485 429 HG2 GLN 60 HG2 GLN 60 -6.929 -18.358 15.542 430 HG3 GLN 60 HG1 GLN 60 -7.121 -16.735 16.197 431 HE21 GLN 60 HE21 GLN 60 -8.282 -17.695 18.711 432 HE22 GLN 60 HE22 GLN 60 -6.967 -18.354 19.616 433 H GLN 61 HN GLN 61 -10.023 -19.827 14.280 434 HA GLN 61 HA GLN 61 -7.736 -20.109 12.574 435 HB2 GLN 61 HB2 GLN 61 -10.096 -21.895 13.186 436 HB3 GLN 61 HB1 GLN 61 -8.855 -22.350 12.027 437 HG2 GLN 61 HG2 GLN 61 -7.158 -22.279 13.749 438 HG3 GLN 61 HG1 GLN 61 -8.328 -21.689 14.922 439 HE21 GLN 61 HE21 GLN 61 -9.657 -23.131 15.946 440 HE22 GLN 61 HE22 GLN 61 -9.557 -24.841 15.750 441 H CYS 62 HN CYS 62 -11.147 -19.466 12.106 442 HA CYS 62 HA CYS 62 -11.273 -19.910 9.306 443 HB2 CYS 62 HB2 CYS 62 -13.197 -19.686 11.022 444 HB3 CYS 62 HB1 CYS 62 -13.008 -17.948 10.809 445 HG CYS 62 HG CYS 62 -14.174 -20.257 8.617 446 H LEU 63 HN LEU 63 -10.767 -16.942 11.263 447 HA LEU 63 HA LEU 63 -10.402 -15.281 8.984 448 HB2 LEU 63 HB2 LEU 63 -9.521 -13.586 10.517 449 HB3 LEU 63 HB1 LEU 63 -11.030 -14.266 11.086 450 HG LEU 63 HG LEU 63 -9.437 -15.782 12.556 451 HD11 LEU 63 HD11 LEU 63 -7.337 -15.014 11.595 452 HD12 LEU 63 HD12 LEU 63 -7.436 -14.590 13.302 453 HD13 LEU 63 HD13 LEU 63 -7.706 -13.355 12.070 454 HD21 LEU 63 HD21 LEU 63 -11.097 -14.262 13.462 455 HD22 LEU 63 HD22 LEU 63 -10.029 -12.886 13.181 456 HD23 LEU 63 HD23 LEU 63 -9.587 -14.119 14.362 457 H GLN 64 HN GLN 64 -8.141 -17.003 11.117 458 HA GLN 64 HA GLN 64 -5.750 -16.085 10.038 459 HB2 GLN 64 HB2 GLN 64 -5.937 -17.539 12.057 460 HB3 GLN 64 HB1 GLN 64 -6.322 -18.902 11.013 461 HG2 GLN 64 HG2 GLN 64 -4.112 -18.655 9.928 462 HG3 GLN 64 HG1 GLN 64 -3.731 -17.354 11.054 463 HE21 GLN 64 HE21 GLN 64 -4.140 -20.768 10.650 464 HE22 GLN 64 HE22 GLN 64 -3.469 -21.245 12.169 465 H ARG 65 HN ARG 65 -7.950 -18.575 8.927 466 HA ARG 65 HA ARG 65 -6.391 -19.775 6.955 467 HB2 ARG 65 HB2 ARG 65 -8.510 -20.725 7.659 468 HB3 ARG 65 HB1 ARG 65 -9.384 -19.321 7.060 469 HG2 ARG 65 HG2 ARG 65 -8.501 -19.921 4.760 470 HG3 ARG 65 HG1 ARG 65 -7.975 -21.449 5.469 471 HD2 ARG 65 HD2 ARG 65 -10.247 -22.006 6.071 472 HD3 ARG 65 HD1 ARG 65 -10.817 -20.423 5.535 473 HE ARG 65 HE ARG 65 -10.117 -22.703 3.884 474 HH11 ARG 65 HH11 ARG 65 -10.813 -19.269 3.999 475 HH12 ARG 65 HH12 ARG 65 -11.170 -19.143 2.310 476 HH21 ARG 65 HH21 ARG 65 -10.577 -22.533 1.636 477 HH22 ARG 65 HH22 ARG 65 -11.028 -21.003 0.959 478 H ILE 66 HN ILE 66 -8.678 -17.049 6.641 479 HA ILE 66 HA ILE 66 -8.146 -16.754 3.836 480 HB ILE 66 HB ILE 66 -9.506 -14.631 4.057 481 HG12 ILE 66 HG12 ILE 66 -10.004 -15.664 6.864 482 HG13 ILE 66 HG11 ILE 66 -8.999 -14.271 6.490 483 HG21 ILE 66 HG21 ILE 66 -10.486 -16.729 3.335 484 HG22 ILE 66 HG22 ILE 66 -11.622 -15.842 4.350 485 HG23 ILE 66 HG23 ILE 66 -10.736 -17.216 5.013 486 HD11 ILE 66 HD11 ILE 66 -11.947 -14.535 5.938 487 HD12 ILE 66 HD12 ILE 66 -10.951 -13.140 5.531 488 HD13 ILE 66 HD13 ILE 66 -11.199 -13.581 7.219 489 H GLU 67 HN GLU 67 -6.985 -15.195 6.761 490 HA GLU 67 HA GLU 67 -5.779 -12.963 5.527 491 HB2 GLU 67 HB2 GLU 67 -4.982 -14.372 8.083 492 HB3 GLU 67 HB1 GLU 67 -4.463 -12.764 7.596 493 HG2 GLU 67 HG2 GLU 67 -7.279 -13.617 8.240 494 HG3 GLU 67 HG1 GLU 67 -6.227 -12.630 9.245 495 H GLN 68 HN GLN 68 -4.562 -16.206 6.306 496 HA GLN 68 HA GLN 68 -1.918 -15.691 5.319 497 HB2 GLN 68 HB2 GLN 68 -3.304 -18.332 5.858 498 HB3 GLN 68 HB1 GLN 68 -1.580 -18.121 5.582 499 HG2 GLN 68 HG2 GLN 68 -3.161 -17.014 7.899 500 HG3 GLN 68 HG1 GLN 68 -2.065 -18.392 7.945 501 HE21 GLN 68 HE21 GLN 68 -2.047 -15.841 9.415 502 HE22 GLN 68 HE22 GLN 68 -0.492 -15.150 9.108 503 H LEU 69 HN LEU 69 -4.667 -15.734 3.666 504 HA LEU 69 HA LEU 69 -3.596 -17.138 1.321 505 HB2 LEU 69 HB2 LEU 69 -6.395 -16.201 1.952 506 HB3 LEU 69 HB1 LEU 69 -5.919 -16.829 0.386 507 HG LEU 69 HG LEU 69 -5.843 -18.368 2.990 508 HD11 LEU 69 HD11 LEU 69 -8.127 -17.975 2.228 509 HD12 LEU 69 HD12 LEU 69 -7.684 -19.671 2.028 510 HD13 LEU 69 HD13 LEU 69 -7.713 -18.595 0.629 511 HD21 LEU 69 HD21 LEU 69 -5.276 -19.289 0.169 512 HD22 LEU 69 HD22 LEU 69 -5.328 -20.313 1.604 513 HD23 LEU 69 HD23 LEU 69 -4.078 -19.079 1.450 514 H TRP 70 HN TRP 70 -5.521 -14.207 1.950 515 HA TRP 70 HA TRP 70 -4.469 -12.941 -0.447 516 HB2 TRP 70 HB2 TRP 70 -6.514 -12.054 1.607 517 HB3 TRP 70 HB1 TRP 70 -6.019 -11.061 0.240 518 HD1 TRP 70 HD1 TRP 70 -7.132 -14.794 0.451 519 HE1 TRP 70 HE1 TRP 70 -8.943 -15.169 -1.336 520 HE3 TRP 70 HE3 TRP 70 -7.434 -10.041 -1.418 521 HZ2 TRP 70 HZ2 TRP 70 -10.329 -13.653 -3.270 522 HZ3 TRP 70 HZ3 TRP 70 -9.031 -9.588 -3.234 523 HH2 TRP 70 HH2 TRP 70 -10.448 -11.359 -4.142 524 H THR 71 HN THR 71 -4.559 -12.216 3.025 525 HA THR 71 HA THR 71 -2.860 -9.936 2.846 526 HB THR 71 HB THR 71 -3.543 -11.534 5.329 527 HG1 THR 71 HG1 THR 71 -5.464 -10.551 5.365 528 HG21 THR 71 HG21 THR 71 -3.301 -9.379 6.473 529 HG22 THR 71 HG22 THR 71 -2.877 -8.607 4.947 530 HG23 THR 71 HG23 THR 71 -1.810 -9.826 5.645 531 H ASP 72 HN ASP 72 -2.253 -13.209 2.683 532 HA ASP 72 HA ASP 72 -0.283 -13.942 4.362 533 HB2 ASP 72 HB2 ASP 72 0.308 -15.645 2.867 534 HB3 ASP 72 HB1 ASP 72 -1.347 -15.259 2.421 535 H MET 73 HN MET 73 0.136 -11.951 1.476 536 HA MET 73 HA MET 73 2.958 -11.805 1.513 537 HB2 MET 73 HB2 MET 73 0.908 -9.857 0.425 538 HB3 MET 73 HB1 MET 73 2.638 -9.737 0.135 539 HG2 MET 73 HG2 MET 73 0.894 -12.053 -0.687 540 HG3 MET 73 HG1 MET 73 1.433 -10.750 -1.746 541 HE1 MET 73 HE1 MET 73 4.398 -10.264 -0.720 542 HE2 MET 73 HE2 MET 73 3.999 -10.368 -2.434 543 HE3 MET 73 HE3 MET 73 5.323 -11.328 -1.777 544 H VAL 74 HN VAL 74 3.388 -11.582 3.752 545 HA VAL 74 HA VAL 74 2.619 -9.074 5.038 546 HB VAL 74 HB VAL 74 2.205 -11.157 6.269 547 HG11 VAL 74 HG11 VAL 74 4.020 -12.504 5.341 548 HG12 VAL 74 HG12 VAL 74 4.034 -12.534 7.105 549 HG13 VAL 74 HG13 VAL 74 5.197 -11.537 6.231 550 HG21 VAL 74 HG21 VAL 74 3.246 -10.547 8.396 551 HG22 VAL 74 HG22 VAL 74 2.653 -9.120 7.548 552 HG23 VAL 74 HG23 VAL 74 4.379 -9.491 7.552 553 HA PRO 75 HA PRO 75 6.771 -7.516 4.423 554 HB2 PRO 75 HB2 PRO 75 6.521 -5.225 5.822 555 HB3 PRO 75 HB1 PRO 75 5.706 -5.460 4.271 556 HG2 PRO 75 HG2 PRO 75 4.601 -5.674 7.047 557 HG3 PRO 75 HG1 PRO 75 3.874 -4.940 5.605 558 HD2 PRO 75 HD2 PRO 75 3.258 -7.463 6.527 559 HD3 PRO 75 HD1 PRO 75 3.079 -6.958 4.837 560 H ALA 76 HN ALA 76 8.153 -6.039 6.319 561 HA ALA 76 HA ALA 76 9.394 -7.941 7.900 562 HB1 ALA 76 HB1 ALA 76 9.273 -4.971 8.440 563 HB2 ALA 76 HB2 ALA 76 10.374 -5.758 7.312 564 HB3 ALA 76 HB3 ALA 76 10.493 -6.095 9.039 565 H SER 77 HN SER 77 6.437 -6.314 8.481 566 HA SER 77 HA SER 77 6.175 -6.267 11.218 567 HB2 SER 77 HB2 SER 77 4.483 -5.365 9.687 568 HB3 SER 77 HB1 SER 77 4.064 -6.994 9.161 569 HG SER 77 HG SER 77 3.296 -5.623 11.403 570 H VAL 78 HN VAL 78 6.191 -9.063 9.094 571 HA VAL 78 HA VAL 78 5.017 -10.948 10.807 572 HB VAL 78 HB VAL 78 5.503 -11.446 8.458 573 HG11 VAL 78 HG11 VAL 78 7.642 -10.347 8.187 574 HG12 VAL 78 HG12 VAL 78 7.789 -12.046 7.738 575 HG13 VAL 78 HG13 VAL 78 8.407 -11.488 9.293 576 HG21 VAL 78 HG21 VAL 78 5.166 -13.303 10.022 577 HG22 VAL 78 HG22 VAL 78 6.902 -13.355 10.340 578 HG23 VAL 78 HG23 VAL 78 6.286 -13.742 8.733 579 H ARG 79 HN ARG 79 8.336 -9.757 10.582 580 HA ARG 79 HA ARG 79 9.376 -11.518 12.584 581 HB2 ARG 79 HB2 ARG 79 10.471 -8.986 11.338 582 HB3 ARG 79 HB1 ARG 79 11.360 -9.954 12.510 583 HG2 ARG 79 HG2 ARG 79 11.318 -11.862 10.993 584 HG3 ARG 79 HG1 ARG 79 10.370 -10.932 9.831 585 HD2 ARG 79 HD2 ARG 79 12.199 -9.404 9.483 586 HD3 ARG 79 HD1 ARG 79 13.135 -10.158 10.777 587 HE ARG 79 HE ARG 79 12.753 -12.226 9.130 588 HH11 ARG 79 HH11 ARG 79 13.743 -8.941 8.415 589 HH12 ARG 79 HH12 ARG 79 14.751 -9.407 7.081 590 HH21 ARG 79 HH21 ARG 79 14.076 -12.835 7.391 591 HH22 ARG 79 HH22 ARG 79 14.951 -11.629 6.505 592 H GLU 80 HN GLU 80 8.068 -8.261 12.516 593 HA GLU 80 HA GLU 80 8.645 -7.534 15.187 594 HB2 GLU 80 HB2 GLU 80 7.850 -6.003 13.334 595 HB3 GLU 80 HB1 GLU 80 6.245 -6.687 13.540 596 HG2 GLU 80 HG2 GLU 80 6.162 -4.710 14.746 597 HG3 GLU 80 HG1 GLU 80 6.442 -5.931 15.985 598 H HIS 81 HN HIS 81 6.121 -9.413 13.674 599 HA HIS 81 HA HIS 81 4.412 -9.652 15.958 600 HB2 HIS 81 HB2 HIS 81 3.634 -9.935 13.606 601 HB3 HIS 81 HB1 HIS 81 4.593 -11.404 13.489 602 HD1 HIS 81 HD1 HIS 81 3.846 -13.294 15.399 603 HD2 HIS 81 HD2 HIS 81 1.067 -10.396 14.329 604 HE1 HIS 81 HE1 HIS 81 1.610 -14.243 16.030 605 HE2 HIS 81 HE2 HIS 81 -0.058 -12.575 15.151 606 H LEU 82 HN LEU 82 7.316 -11.155 14.956 607 HA LEU 82 HA LEU 82 6.861 -13.584 16.515 608 HB2 LEU 82 HB2 LEU 82 8.013 -13.378 14.171 609 HB3 LEU 82 HB1 LEU 82 9.421 -12.893 15.089 610 HG LEU 82 HG LEU 82 9.447 -15.287 14.463 611 HD11 LEU 82 HD11 LEU 82 10.052 -16.196 16.630 612 HD12 LEU 82 HD12 LEU 82 9.241 -14.859 17.444 613 HD13 LEU 82 HD13 LEU 82 10.668 -14.554 16.453 614 HD21 LEU 82 HD21 LEU 82 7.034 -15.689 14.528 615 HD22 LEU 82 HD22 LEU 82 7.048 -15.526 16.285 616 HD23 LEU 82 HD23 LEU 82 7.911 -16.857 15.512 617 H ASN 83 HN ASN 83 8.935 -10.744 16.436 618 HA ASN 83 HA ASN 83 10.727 -11.445 18.464 619 HB2 ASN 83 HB2 ASN 83 11.010 -9.581 16.799 620 HB3 ASN 83 HB1 ASN 83 9.848 -8.639 17.723 621 HD21 ASN 83 HD21 ASN 83 12.625 -8.057 17.131 622 HD22 ASN 83 HD22 ASN 83 13.427 -7.884 18.653 623 H GLN 84 HN GLN 84 10.182 -11.966 20.467 624 HA GLN 84 HA GLN 84 8.758 -10.036 22.097 625 HB2 GLN 84 HB2 GLN 84 7.276 -11.807 23.086 626 HB3 GLN 84 HB1 GLN 84 6.893 -11.391 21.424 627 HG2 GLN 84 HG2 GLN 84 6.712 -13.690 21.415 628 HG3 GLN 84 HG1 GLN 84 8.345 -13.442 20.810 629 HE21 GLN 84 HE21 GLN 84 7.423 -13.132 24.189 630 HE22 GLN 84 HE22 GLN 84 8.291 -14.518 24.743 631 H HIS 85 HN HIS 85 9.469 -10.008 24.192 632 HA HIS 85 HA HIS 85 11.455 -12.069 24.943 633 HB2 HIS 85 HB2 HIS 85 12.425 -9.798 24.587 634 HB3 HIS 85 HB1 HIS 85 11.361 -9.171 25.840 635 HD1 HIS 85 HD1 HIS 85 14.308 -11.511 25.398 636 HD2 HIS 85 HD2 HIS 85 12.306 -9.446 28.401 637 HE1 HIS 85 HE1 HIS 85 15.742 -11.743 27.449 638 HE2 HIS 85 HE2 HIS 85 14.446 -10.598 29.281 639 H SER 86 HN SER 86 9.940 -13.397 25.888 640 HA SER 86 HA SER 86 8.506 -14.241 27.411 641 HB2 SER 86 HB2 SER 86 10.080 -13.312 29.094 642 HB3 SER 86 HB1 SER 86 9.180 -11.798 29.084 643 HG SER 86 HG SER 86 7.959 -14.288 29.674 644 H GLY 87 HN GLY 87 7.968 -10.716 27.760 645 HA2 GLY 87 HA2 GLY 87 5.124 -11.014 27.399 646 HA3 GLY 87 HA1 GLY 87 6.007 -9.503 27.588 647 HA PRO 88 HA PRO 88 5.190 -10.378 23.005 648 HB2 PRO 88 HB2 PRO 88 2.581 -9.997 22.542 649 HB3 PRO 88 HB1 PRO 88 3.189 -11.545 23.142 650 HG2 PRO 88 HG2 PRO 88 1.785 -9.358 24.613 651 HG3 PRO 88 HG1 PRO 88 1.659 -11.113 24.821 652 HD2 PRO 88 HD2 PRO 88 3.208 -9.376 26.390 653 HD3 PRO 88 HD1 PRO 88 3.360 -11.143 26.338 654 H GLY 89 HN GLY 89 6.230 -8.547 22.352 655 HA2 GLY 89 HA2 GLY 89 4.733 -5.993 22.443 656 HA3 GLY 89 HA1 GLY 89 6.483 -6.128 22.289 657 H ILE 90 HN ILE 90 3.688 -7.571 20.643 658 HA ILE 90 HA ILE 90 5.231 -7.626 18.171 659 HB ILE 90 HB ILE 90 3.525 -9.148 17.337 660 HG12 ILE 90 HG12 ILE 90 2.108 -8.675 19.979 661 HG13 ILE 90 HG11 ILE 90 1.561 -8.093 18.412 662 HG21 ILE 90 HG21 ILE 90 5.330 -10.079 18.677 663 HG22 ILE 90 HG22 ILE 90 3.841 -10.983 18.946 664 HG23 ILE 90 HG23 ILE 90 4.397 -9.820 20.151 665 HD11 ILE 90 HD11 ILE 90 0.313 -10.041 19.078 666 HD12 ILE 90 HD12 ILE 90 1.802 -10.970 19.256 667 HD13 ILE 90 HD13 ILE 90 1.296 -10.409 17.661 668 H ASP 91 HN ASP 91 3.924 -7.308 16.114 669 HA ASP 91 HA ASP 91 2.189 -4.931 16.334 670 HB2 ASP 91 HB2 ASP 91 4.362 -4.459 15.239 671 HB3 ASP 91 HB1 ASP 91 4.022 -5.706 14.045 672 H TYR 92 HN TYR 92 0.626 -4.732 14.489 673 HA TYR 92 HA TYR 92 -0.841 -7.197 14.298 674 HB2 TYR 92 HB2 TYR 92 -1.467 -4.465 13.151 675 HB3 TYR 92 HB1 TYR 92 -2.578 -5.831 13.211 676 HD1 TYR 92 HD2 TYR 92 -0.890 -3.235 15.191 677 HD2 TYR 92 HD1 TYR 92 -3.623 -6.499 15.305 678 HE1 TYR 92 HE2 TYR 92 -1.627 -2.532 17.428 679 HE2 TYR 92 HE1 TYR 92 -4.365 -5.807 17.545 680 HH TYR 92 HH TYR 92 -3.440 -4.482 19.474 681 H ALA 93 HN ALA 93 0.865 -8.277 13.077 682 HA ALA 93 HA ALA 93 1.171 -7.666 10.277 683 HB1 ALA 93 HB1 ALA 93 2.983 -8.715 11.578 684 HB2 ALA 93 HB2 ALA 93 2.499 -9.711 10.205 685 HB3 ALA 93 HB3 ALA 93 1.967 -10.136 11.832 686 H VAL 94 HN VAL 94 0.998 -10.212 9.132 687 HA VAL 94 HA VAL 94 -1.729 -10.542 8.579 688 HB VAL 94 HB VAL 94 0.063 -11.327 7.067 689 HG11 VAL 94 HG11 VAL 94 1.252 -13.423 7.500 690 HG12 VAL 94 HG12 VAL 94 0.500 -13.533 9.092 691 HG13 VAL 94 HG13 VAL 94 1.619 -12.217 8.734 692 HG21 VAL 94 HG21 VAL 94 -1.809 -13.537 7.949 693 HG22 VAL 94 HG22 VAL 94 -0.998 -13.431 6.385 694 HG23 VAL 94 HG23 VAL 94 -2.206 -12.229 6.836 695 H ARG 95 HN ARG 95 -3.293 -11.826 9.466 696 HA ARG 95 HA ARG 95 -2.899 -12.552 12.210 697 HB2 ARG 95 HB2 ARG 95 -5.332 -12.954 10.448 698 HB3 ARG 95 HB1 ARG 95 -5.296 -13.055 12.204 699 HG2 ARG 95 HG2 ARG 95 -4.825 -10.709 12.395 700 HG3 ARG 95 HG1 ARG 95 -4.615 -10.562 10.650 701 HD2 ARG 95 HD2 ARG 95 -6.987 -11.167 10.334 702 HD3 ARG 95 HD1 ARG 95 -7.184 -11.249 12.087 703 HE ARG 95 HE ARG 95 -6.624 -8.844 12.128 704 HH11 ARG 95 HH11 ARG 95 -7.777 -10.242 9.118 705 HH12 ARG 95 HH12 ARG 95 -8.336 -8.727 8.491 706 HH21 ARG 95 HH21 ARG 95 -7.408 -6.861 11.299 707 HH22 ARG 95 HH22 ARG 95 -8.118 -6.814 9.713 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 9.932 -3.348 -0.678 2 H2 MET 1 HT2 MET 1 9.436 -4.042 -2.134 3 H3 MET 1 HT3 MET 1 10.984 -3.378 -1.999 4 HA MET 1 HA MET 1 11.063 -5.781 -1.925 5 HB2 MET 1 HB2 MET 1 11.717 -4.415 0.699 6 HB3 MET 1 HB1 MET 1 12.321 -5.995 0.216 7 HG2 MET 1 HG2 MET 1 13.470 -4.977 -1.687 8 HG3 MET 1 HG1 MET 1 12.865 -3.394 -1.204 9 HE1 MET 1 HE1 MET 1 14.144 -6.328 1.085 10 HE2 MET 1 HE2 MET 1 15.830 -5.875 1.329 11 HE3 MET 1 HE3 MET 1 15.276 -6.379 -0.267 12 H ALA 2 HN ALA 2 8.402 -4.499 -0.447 13 HA ALA 2 HA ALA 2 7.832 -6.363 1.601 14 HB1 ALA 2 HB1 ALA 2 6.741 -4.168 1.431 15 HB2 ALA 2 HB2 ALA 2 5.564 -5.480 1.516 16 HB3 ALA 2 HB3 ALA 2 5.908 -4.702 -0.030 17 H HIS 3 HN HIS 3 6.889 -6.205 -1.811 18 HA HIS 3 HA HIS 3 5.296 -8.616 -1.622 19 HB2 HIS 3 HB2 HIS 3 6.054 -6.999 -4.076 20 HB3 HIS 3 HB1 HIS 3 4.824 -8.256 -4.002 21 HD1 HIS 3 HD1 HIS 3 5.053 -4.757 -4.112 22 HD2 HIS 3 HD2 HIS 3 2.792 -7.405 -1.840 23 HE1 HIS 3 HE1 HIS 3 3.089 -3.428 -3.281 24 HE2 HIS 3 HE2 HIS 3 1.629 -5.107 -2.101 25 H HIS 4 HN HIS 4 6.385 -10.480 -1.437 26 HA HIS 4 HA HIS 4 8.348 -11.105 -3.535 27 HB2 HIS 4 HB2 HIS 4 8.652 -11.488 -0.579 28 HB3 HIS 4 HB1 HIS 4 9.352 -12.688 -1.657 29 HD1 HIS 4 HD1 HIS 4 9.912 -9.288 -0.317 30 HD2 HIS 4 HD2 HIS 4 11.402 -11.670 -3.379 31 HE1 HIS 4 HE1 HIS 4 12.058 -8.203 -1.038 32 HE2 HIS 4 HE2 HIS 4 12.794 -9.522 -3.046 33 H HIS 5 HN HIS 5 7.247 -13.249 -0.922 34 HA HIS 5 HA HIS 5 6.347 -15.235 -2.714 35 HB2 HIS 5 HB2 HIS 5 5.404 -16.376 -0.801 36 HB3 HIS 5 HB1 HIS 5 6.950 -15.685 -0.331 37 HD1 HIS 5 HD1 HIS 5 3.644 -16.079 0.904 38 HD2 HIS 5 HD2 HIS 5 6.441 -13.000 1.029 39 HE1 HIS 5 HE1 HIS 5 2.986 -14.642 2.854 40 HE2 HIS 5 HE2 HIS 5 4.722 -12.819 2.950 41 H HIS 6 HN HIS 6 4.353 -15.664 -3.589 42 HA HIS 6 HA HIS 6 2.202 -13.753 -3.094 43 HB2 HIS 6 HB2 HIS 6 2.029 -13.241 -5.539 44 HB3 HIS 6 HB1 HIS 6 3.488 -12.613 -4.785 45 HD1 HIS 6 HD1 HIS 6 2.320 -14.843 -7.476 46 HD2 HIS 6 HD2 HIS 6 5.878 -14.047 -5.484 47 HE1 HIS 6 HE1 HIS 6 4.133 -15.834 -8.909 48 HE2 HIS 6 HE2 HIS 6 6.249 -15.505 -7.583 49 H HIS 7 HN HIS 7 0.641 -15.127 -2.598 50 HA HIS 7 HA HIS 7 0.000 -17.597 -3.668 51 HB2 HIS 7 HB2 HIS 7 -2.343 -17.073 -2.975 52 HB3 HIS 7 HB1 HIS 7 -1.161 -16.691 -1.726 53 HD1 HIS 7 HD1 HIS 7 -0.683 -14.150 -1.284 54 HD2 HIS 7 HD2 HIS 7 -3.793 -14.899 -3.940 55 HE1 HIS 7 HE1 HIS 7 -1.885 -11.958 -1.553 56 HE2 HIS 7 HE2 HIS 7 -3.710 -12.412 -3.230 57 H HIS 8 HN HIS 8 -0.638 -18.250 -5.644 58 HA HIS 8 HA HIS 8 -1.569 -16.224 -7.573 59 HB2 HIS 8 HB2 HIS 8 0.451 -17.711 -8.090 60 HB3 HIS 8 HB1 HIS 8 -0.680 -19.052 -8.202 61 HD1 HIS 8 HD1 HIS 8 1.064 -16.883 -10.301 62 HD2 HIS 8 HD2 HIS 8 -2.891 -18.170 -10.223 63 HE1 HIS 8 HE1 HIS 8 0.183 -16.493 -12.620 64 HE2 HIS 8 HE2 HIS 8 -2.237 -17.187 -12.528 65 H MET 9 HN MET 9 -2.114 -19.710 -7.193 66 HA MET 9 HA MET 9 -4.745 -19.708 -6.339 67 HB2 MET 9 HB2 MET 9 -5.263 -18.575 -8.495 68 HB3 MET 9 HB1 MET 9 -4.562 -19.932 -9.364 69 HG2 MET 9 HG2 MET 9 -6.975 -20.081 -9.370 70 HG3 MET 9 HG1 MET 9 -6.288 -21.410 -8.437 71 HE1 MET 9 HE1 MET 9 -8.266 -17.687 -6.546 72 HE2 MET 9 HE2 MET 9 -8.162 -17.958 -8.285 73 HE3 MET 9 HE3 MET 9 -6.698 -17.642 -7.353 74 H GLY 10 HN GLY 10 -4.150 -21.534 -5.235 75 HA2 GLY 10 HA2 GLY 10 -3.299 -23.869 -6.848 76 HA3 GLY 10 HA1 GLY 10 -2.626 -23.508 -5.267 77 H THR 11 HN THR 11 -3.491 -24.530 -3.582 78 HA THR 11 HA THR 11 -5.833 -26.182 -3.979 79 HB THR 11 HB THR 11 -5.378 -26.896 -1.592 80 HG1 THR 11 HG1 THR 11 -4.244 -25.138 -0.791 81 HG21 THR 11 HG21 THR 11 -4.531 -28.183 -3.488 82 HG22 THR 11 HG22 THR 11 -3.364 -28.191 -2.165 83 HG23 THR 11 HG23 THR 11 -3.101 -27.153 -3.569 84 H LEU 12 HN LEU 12 -7.819 -25.881 -3.125 85 HA LEU 12 HA LEU 12 -8.622 -23.260 -2.423 86 HB2 LEU 12 HB2 LEU 12 -10.042 -24.929 -3.596 87 HB3 LEU 12 HB1 LEU 12 -10.137 -25.866 -2.122 88 HG LEU 12 HG LEU 12 -12.149 -24.411 -2.734 89 HD11 LEU 12 HD11 LEU 12 -12.654 -23.848 -0.437 90 HD12 LEU 12 HD12 LEU 12 -10.956 -24.013 0.008 91 HD13 LEU 12 HD13 LEU 12 -11.871 -25.426 -0.521 92 HD21 LEU 12 HD21 LEU 12 -10.333 -22.215 -1.730 93 HD22 LEU 12 HD22 LEU 12 -12.058 -22.067 -2.063 94 HD23 LEU 12 HD23 LEU 12 -10.935 -22.398 -3.378 95 H GLU 13 HN GLU 13 -7.964 -26.176 -0.561 96 HA GLU 13 HA GLU 13 -8.352 -24.657 1.938 97 HB2 GLU 13 HB2 GLU 13 -9.125 -27.315 1.160 98 HB3 GLU 13 HB1 GLU 13 -7.973 -27.441 2.480 99 HG2 GLU 13 HG2 GLU 13 -10.535 -25.848 2.506 100 HG3 GLU 13 HG1 GLU 13 -10.265 -27.400 3.297 101 H ALA 14 HN ALA 14 -6.859 -25.876 3.732 102 HA ALA 14 HA ALA 14 -4.161 -26.360 2.804 103 HB1 ALA 14 HB1 ALA 14 -4.787 -23.866 4.399 104 HB2 ALA 14 HB2 ALA 14 -4.246 -23.914 2.721 105 HB3 ALA 14 HB3 ALA 14 -3.172 -24.459 4.009 106 H GLN 15 HN GLN 15 -2.812 -25.930 5.191 107 HA GLN 15 HA GLN 15 -3.985 -27.993 6.874 108 HB2 GLN 15 HB2 GLN 15 -1.317 -26.578 7.111 109 HB3 GLN 15 HB1 GLN 15 -1.844 -27.935 8.096 110 HG2 GLN 15 HG2 GLN 15 -2.013 -29.285 5.991 111 HG3 GLN 15 HG1 GLN 15 -1.259 -27.936 5.144 112 HE21 GLN 15 HE21 GLN 15 0.454 -27.305 7.475 113 HE22 GLN 15 HE22 GLN 15 1.684 -28.516 7.479 114 H THR 16 HN THR 16 -5.724 -26.896 7.824 115 HA THR 16 HA THR 16 -5.390 -24.529 9.368 116 HB THR 16 HB THR 16 -7.595 -25.411 10.466 117 HG1 THR 16 HG1 THR 16 -8.053 -26.887 8.178 118 HG21 THR 16 HG21 THR 16 -8.908 -24.652 8.523 119 HG22 THR 16 HG22 THR 16 -7.465 -24.751 7.514 120 HG23 THR 16 HG23 THR 16 -7.537 -23.588 8.837 121 H GLN 17 HN GLN 17 -3.763 -24.667 10.811 122 HA GLN 17 HA GLN 17 -3.843 -26.833 12.816 123 HB2 GLN 17 HB2 GLN 17 -1.350 -26.789 12.807 124 HB3 GLN 17 HB1 GLN 17 -2.041 -27.335 11.284 125 HG2 GLN 17 HG2 GLN 17 -1.659 -25.125 10.308 126 HG3 GLN 17 HG1 GLN 17 -0.988 -24.562 11.838 127 HE21 GLN 17 HE21 GLN 17 0.970 -24.055 10.853 128 HE22 GLN 17 HE22 GLN 17 2.100 -25.273 10.380 129 H GLY 18 HN GLY 18 -2.303 -26.238 14.696 130 HA2 GLY 18 HA2 GLY 18 -1.367 -24.447 16.037 131 HA3 GLY 18 HA1 GLY 18 -2.584 -23.371 15.362 132 HA PRO 19 HA PRO 19 -3.897 -24.971 19.605 133 HB2 PRO 19 HB2 PRO 19 -4.748 -22.484 20.466 134 HB3 PRO 19 HB1 PRO 19 -3.141 -23.150 20.765 135 HG2 PRO 19 HG2 PRO 19 -4.025 -21.213 18.656 136 HG3 PRO 19 HG1 PRO 19 -2.545 -21.211 19.635 137 HD2 PRO 19 HD2 PRO 19 -2.542 -22.056 17.082 138 HD3 PRO 19 HD1 PRO 19 -1.519 -22.820 18.316 139 H GLY 20 HN GLY 20 -5.744 -26.021 19.264 140 HA2 GLY 20 HA2 GLY 20 -7.913 -24.997 17.703 141 HA3 GLY 20 HA1 GLY 20 -7.908 -26.487 18.635 142 H SER 21 HN SER 21 -8.016 -22.971 19.075 143 HA SER 21 HA SER 21 -9.202 -23.099 21.666 144 HB2 SER 21 HB2 SER 21 -7.860 -21.173 20.998 145 HB3 SER 21 HB1 SER 21 -8.963 -20.826 19.669 146 HG SER 21 HG SER 21 -9.794 -20.858 22.383 147 H MET 22 HN MET 22 -11.124 -24.152 21.750 148 HA MET 22 HA MET 22 -13.163 -23.674 19.723 149 HB2 MET 22 HB2 MET 22 -14.370 -25.504 20.741 150 HB3 MET 22 HB1 MET 22 -12.699 -25.978 20.490 151 HG2 MET 22 HG2 MET 22 -13.893 -25.092 23.109 152 HG3 MET 22 HG1 MET 22 -13.561 -26.758 22.643 153 HE1 MET 22 HE1 MET 22 -10.851 -26.099 25.389 154 HE2 MET 22 HE2 MET 22 -12.143 -27.172 24.848 155 HE3 MET 22 HE3 MET 22 -12.519 -25.526 25.357 156 H ASP 23 HN ASP 23 -12.242 -21.896 22.075 157 HA ASP 23 HA ASP 23 -14.417 -21.417 23.775 158 HB2 ASP 23 HB2 ASP 23 -12.315 -19.483 22.755 159 HB3 ASP 23 HB1 ASP 23 -13.426 -19.145 24.081 160 H ASP 24 HN ASP 24 -13.763 -20.424 20.500 161 HA ASP 24 HA ASP 24 -16.456 -19.224 20.365 162 HB2 ASP 24 HB2 ASP 24 -14.483 -17.712 19.770 163 HB3 ASP 24 HB1 ASP 24 -14.212 -18.754 18.379 164 H GLU 25 HN GLU 25 -17.768 -19.877 18.606 165 HA GLU 25 HA GLU 25 -17.546 -22.689 18.191 166 HB2 GLU 25 HB2 GLU 25 -19.548 -20.686 17.124 167 HB3 GLU 25 HB1 GLU 25 -19.709 -22.434 16.995 168 HG2 GLU 25 HG2 GLU 25 -19.742 -22.615 19.435 169 HG3 GLU 25 HG1 GLU 25 -19.574 -20.867 19.569 170 H LEU 26 HN LEU 26 -18.444 -23.317 15.761 171 HA LEU 26 HA LEU 26 -16.074 -23.078 14.193 172 HB2 LEU 26 HB2 LEU 26 -18.753 -24.333 13.586 173 HB3 LEU 26 HB1 LEU 26 -17.402 -24.366 12.470 174 HG LEU 26 HG LEU 26 -17.447 -26.464 13.550 175 HD11 LEU 26 HD11 LEU 26 -15.308 -26.560 14.727 176 HD12 LEU 26 HD12 LEU 26 -15.296 -24.799 14.833 177 HD13 LEU 26 HD13 LEU 26 -15.224 -25.591 13.256 178 HD21 LEU 26 HD21 LEU 26 -17.500 -25.024 16.205 179 HD22 LEU 26 HD22 LEU 26 -17.431 -26.772 15.974 180 HD23 LEU 26 HD23 LEU 26 -18.858 -25.872 15.465 181 H TYR 27 HN TYR 27 -15.785 -22.148 12.219 182 HA TYR 27 HA TYR 27 -17.847 -20.348 11.172 183 HB2 TYR 27 HB2 TYR 27 -14.943 -19.690 11.721 184 HB3 TYR 27 HB1 TYR 27 -15.892 -18.785 10.551 185 HD1 TYR 27 HD1 TYR 27 -16.072 -19.885 14.130 186 HD2 TYR 27 HD2 TYR 27 -16.945 -16.853 11.273 187 HE1 TYR 27 HE1 TYR 27 -16.880 -18.426 15.931 188 HE2 TYR 27 HE2 TYR 27 -17.754 -15.386 13.069 189 HH TYR 27 HH TYR 27 -17.240 -16.124 16.400 190 H PHE 28 HN PHE 28 -17.683 -19.950 8.958 191 HA PHE 28 HA PHE 28 -15.866 -21.669 7.399 192 HB2 PHE 28 HB2 PHE 28 -18.770 -21.367 7.264 193 HB3 PHE 28 HB1 PHE 28 -18.025 -20.949 5.727 194 HD1 PHE 28 HD2 PHE 28 -15.706 -22.859 5.842 195 HD2 PHE 28 HD1 PHE 28 -19.840 -23.387 6.686 196 HE1 PHE 28 HE2 PHE 28 -15.522 -25.240 5.298 197 HE2 PHE 28 HE1 PHE 28 -19.631 -25.792 6.140 198 HZ PHE 28 HZ PHE 28 -17.485 -26.698 5.428 199 H VAL 29 HN VAL 29 -15.219 -20.708 5.291 200 HA VAL 29 HA VAL 29 -14.992 -17.787 5.520 201 HB VAL 29 HB VAL 29 -13.669 -19.823 3.717 202 HG11 VAL 29 HG11 VAL 29 -13.418 -16.817 3.604 203 HG12 VAL 29 HG12 VAL 29 -14.084 -17.871 2.353 204 HG13 VAL 29 HG13 VAL 29 -12.372 -17.957 2.756 205 HG21 VAL 29 HG21 VAL 29 -11.620 -19.059 4.823 206 HG22 VAL 29 HG22 VAL 29 -12.788 -19.684 5.986 207 HG23 VAL 29 HG23 VAL 29 -12.566 -17.943 5.806 208 H VAL 30 HN VAL 30 -16.287 -16.468 4.336 209 HA VAL 30 HA VAL 30 -17.831 -17.663 2.131 210 HB VAL 30 HB VAL 30 -19.880 -16.658 2.883 211 HG11 VAL 30 HG11 VAL 30 -19.392 -18.872 3.752 212 HG12 VAL 30 HG12 VAL 30 -20.277 -17.934 4.954 213 HG13 VAL 30 HG13 VAL 30 -18.540 -18.173 5.128 214 HG21 VAL 30 HG21 VAL 30 -20.073 -15.436 4.993 215 HG22 VAL 30 HG22 VAL 30 -18.945 -14.629 3.903 216 HG23 VAL 30 HG23 VAL 30 -18.336 -15.587 5.255 217 H ARG 31 HN ARG 31 -18.909 -16.057 0.785 218 HA ARG 31 HA ARG 31 -18.256 -13.269 1.090 219 HB2 ARG 31 HB2 ARG 31 -16.968 -13.026 -1.004 220 HB3 ARG 31 HB1 ARG 31 -16.114 -14.007 0.180 221 HG2 ARG 31 HG2 ARG 31 -16.821 -16.038 -0.985 222 HG3 ARG 31 HG1 ARG 31 -17.686 -15.059 -2.169 223 HD2 ARG 31 HD2 ARG 31 -15.577 -14.036 -2.870 224 HD3 ARG 31 HD1 ARG 31 -14.706 -14.998 -1.670 225 HE ARG 31 HE ARG 31 -16.194 -16.722 -3.307 226 HH11 ARG 31 HH11 ARG 31 -13.405 -14.604 -3.553 227 HH12 ARG 31 HH12 ARG 31 -12.658 -15.546 -4.804 228 HH21 ARG 31 HH21 ARG 31 -15.241 -17.929 -4.940 229 HH22 ARG 31 HH22 ARG 31 -13.710 -17.443 -5.602 230 H ASN 32 HN ASN 32 -19.252 -11.936 -0.604 231 HA ASN 32 HA ASN 32 -20.787 -13.315 -2.642 232 HB2 ASN 32 HB2 ASN 32 -22.928 -12.354 -2.091 233 HB3 ASN 32 HB1 ASN 32 -22.334 -13.199 -0.670 234 HD21 ASN 32 HD21 ASN 32 -20.498 -11.134 0.196 235 HD22 ASN 32 HD22 ASN 32 -21.466 -9.826 0.770 236 H ASN 33 HN ASN 33 -21.009 -12.149 -4.435 237 HA ASN 33 HA ASN 33 -20.545 -10.579 -6.009 238 HB2 ASN 33 HB2 ASN 33 -22.683 -9.838 -4.864 239 HB3 ASN 33 HB1 ASN 33 -21.714 -8.648 -4.000 240 HD21 ASN 33 HD21 ASN 33 -22.755 -6.902 -4.927 241 HD22 ASN 33 HD22 ASN 33 -22.564 -6.472 -6.592 242 H GLU 34 HN GLU 34 -18.459 -10.715 -3.611 243 HA GLU 34 HA GLU 34 -17.276 -8.038 -4.004 244 HB2 GLU 34 HB2 GLU 34 -16.225 -8.347 -1.785 245 HB3 GLU 34 HB1 GLU 34 -17.981 -8.403 -1.710 246 HG2 GLU 34 HG2 GLU 34 -17.753 -10.939 -1.787 247 HG3 GLU 34 HG1 GLU 34 -16.035 -10.689 -1.484 248 H GLY 35 HN GLY 35 -16.653 -11.469 -3.997 249 HA2 GLY 35 HA2 GLY 35 -14.991 -12.650 -5.085 250 HA3 GLY 35 HA1 GLY 35 -14.270 -11.129 -5.584 251 H GLN 36 HN GLN 36 -14.261 -10.259 -2.654 252 HA GLN 36 HA GLN 36 -11.744 -11.542 -1.947 253 HB2 GLN 36 HB2 GLN 36 -11.601 -9.853 -0.159 254 HB3 GLN 36 HB1 GLN 36 -11.850 -9.112 -1.733 255 HG2 GLN 36 HG2 GLN 36 -14.192 -8.750 -1.226 256 HG3 GLN 36 HG1 GLN 36 -14.005 -9.572 0.323 257 HE21 GLN 36 HE21 GLN 36 -13.292 -6.685 -1.497 258 HE22 GLN 36 HE22 GLN 36 -12.817 -5.717 -0.146 259 H TYR 37 HN TYR 37 -11.574 -11.889 0.634 260 HA TYR 37 HA TYR 37 -13.699 -13.869 1.085 261 HB2 TYR 37 HB2 TYR 37 -10.766 -13.901 1.700 262 HB3 TYR 37 HB1 TYR 37 -11.873 -14.929 2.608 263 HD1 TYR 37 HD2 TYR 37 -13.775 -15.885 0.801 264 HD2 TYR 37 HD1 TYR 37 -9.640 -15.177 0.078 265 HE1 TYR 37 HE2 TYR 37 -13.815 -17.534 -1.029 266 HE2 TYR 37 HE1 TYR 37 -9.671 -16.820 -1.760 267 HH TYR 37 HH TYR 37 -12.533 -18.033 -3.083 268 H SER 38 HN SER 38 -14.792 -14.027 2.871 269 HA SER 38 HA SER 38 -13.992 -12.523 5.239 270 HB2 SER 38 HB2 SER 38 -16.819 -12.640 4.132 271 HB3 SER 38 HB1 SER 38 -16.323 -11.819 5.612 272 HG SER 38 HG SER 38 -16.024 -11.054 2.958 273 H VAL 39 HN VAL 39 -15.728 -13.348 7.098 274 HA VAL 39 HA VAL 39 -15.842 -16.288 6.825 275 HB VAL 39 HB VAL 39 -15.349 -16.487 9.248 276 HG11 VAL 39 HG11 VAL 39 -13.598 -16.813 7.550 277 HG12 VAL 39 HG12 VAL 39 -12.942 -16.157 9.053 278 HG13 VAL 39 HG13 VAL 39 -13.180 -15.100 7.659 279 HG21 VAL 39 HG21 VAL 39 -16.003 -14.273 10.003 280 HG22 VAL 39 HG22 VAL 39 -14.716 -13.535 9.049 281 HG23 VAL 39 HG23 VAL 39 -14.316 -14.569 10.422 282 H TRP 40 HN TRP 40 -17.385 -17.341 8.271 283 HA TRP 40 HA TRP 40 -19.714 -15.722 9.020 284 HB2 TRP 40 HB2 TRP 40 -19.939 -16.425 6.625 285 HB3 TRP 40 HB1 TRP 40 -19.846 -18.097 7.142 286 HD1 TRP 40 HD1 TRP 40 -22.119 -19.235 7.452 287 HE1 TRP 40 HE1 TRP 40 -24.555 -18.440 7.726 288 HE3 TRP 40 HE3 TRP 40 -21.293 -14.199 7.833 289 HZ2 TRP 40 HZ2 TRP 40 -25.930 -16.011 8.071 290 HZ3 TRP 40 HZ3 TRP 40 -23.228 -12.707 8.139 291 HH2 TRP 40 HH2 TRP 40 -25.500 -13.596 8.259 292 H MET 41 HN MET 41 -20.970 -16.706 10.619 293 HA MET 41 HA MET 41 -19.546 -18.711 12.138 294 HB2 MET 41 HB2 MET 41 -20.685 -16.659 13.110 295 HB3 MET 41 HB1 MET 41 -22.219 -17.456 12.792 296 HG2 MET 41 HG2 MET 41 -21.665 -19.239 14.310 297 HG3 MET 41 HG1 MET 41 -20.039 -18.594 14.535 298 HE1 MET 41 HE1 MET 41 -20.246 -18.585 17.144 299 HE2 MET 41 HE2 MET 41 -21.850 -19.306 17.010 300 HE3 MET 41 HE3 MET 41 -21.604 -17.885 18.026 301 H ASP 42 HN ASP 42 -19.975 -20.824 12.176 302 HA ASP 42 HA ASP 42 -21.693 -22.046 10.315 303 HB2 ASP 42 HB2 ASP 42 -19.748 -23.228 11.072 304 HB3 ASP 42 HB1 ASP 42 -20.264 -23.131 12.752 305 H GLY 43 HN GLY 43 -23.517 -23.444 10.707 306 HA2 GLY 43 HA2 GLY 43 -25.302 -24.272 12.015 307 HA3 GLY 43 HA1 GLY 43 -24.956 -23.053 13.231 308 H ARG 44 HN ARG 44 -24.925 -21.757 10.114 309 HA ARG 44 HA ARG 44 -27.776 -21.264 9.966 310 HB2 ARG 44 HB2 ARG 44 -27.588 -18.829 10.021 311 HB3 ARG 44 HB1 ARG 44 -27.044 -19.528 11.534 312 HG2 ARG 44 HG2 ARG 44 -24.711 -19.321 10.059 313 HG3 ARG 44 HG1 ARG 44 -25.607 -17.869 9.618 314 HD2 ARG 44 HD2 ARG 44 -24.257 -17.325 11.506 315 HD3 ARG 44 HD1 ARG 44 -25.925 -17.429 12.072 316 HE ARG 44 HE ARG 44 -24.455 -19.888 12.342 317 HH11 ARG 44 HH11 ARG 44 -25.115 -16.814 13.882 318 HH12 ARG 44 HH12 ARG 44 -24.782 -17.409 15.479 319 HH21 ARG 44 HH21 ARG 44 -24.004 -20.656 14.434 320 HH22 ARG 44 HH22 ARG 44 -24.179 -19.595 15.798 321 H SER 45 HN SER 45 -28.420 -21.055 7.915 322 HA SER 45 HA SER 45 -26.447 -21.531 5.859 323 HB2 SER 45 HB2 SER 45 -28.543 -21.741 4.413 324 HB3 SER 45 HB1 SER 45 -28.395 -22.893 5.742 325 HG SER 45 HG SER 45 -30.491 -21.940 5.591 326 H LEU 46 HN LEU 46 -26.296 -20.409 3.924 327 HA LEU 46 HA LEU 46 -26.541 -17.528 4.275 328 HB2 LEU 46 HB2 LEU 46 -24.954 -19.315 2.449 329 HB3 LEU 46 HB1 LEU 46 -25.090 -17.600 2.155 330 HG LEU 46 HG LEU 46 -23.955 -18.807 4.678 331 HD11 LEU 46 HD11 LEU 46 -21.792 -18.073 3.826 332 HD12 LEU 46 HD12 LEU 46 -22.546 -17.576 2.315 333 HD13 LEU 46 HD13 LEU 46 -22.524 -19.278 2.773 334 HD21 LEU 46 HD21 LEU 46 -23.985 -15.955 3.680 335 HD22 LEU 46 HD22 LEU 46 -23.183 -16.535 5.140 336 HD23 LEU 46 HD23 LEU 46 -24.940 -16.594 5.020 337 HA PRO 47 HA PRO 47 -29.759 -17.362 1.178 338 HB2 PRO 47 HB2 PRO 47 -29.843 -14.706 0.777 339 HB3 PRO 47 HB1 PRO 47 -30.372 -15.432 2.298 340 HG2 PRO 47 HG2 PRO 47 -27.813 -14.030 1.659 341 HG3 PRO 47 HG1 PRO 47 -28.787 -13.966 3.138 342 HD2 PRO 47 HD2 PRO 47 -26.504 -15.519 2.791 343 HD3 PRO 47 HD1 PRO 47 -27.749 -15.804 4.023 344 H ALA 48 HN ALA 48 -30.153 -16.547 -1.016 345 HA ALA 48 HA ALA 48 -28.287 -17.343 -2.868 346 HB1 ALA 48 HB1 ALA 48 -30.680 -17.026 -3.347 347 HB2 ALA 48 HB2 ALA 48 -29.656 -16.243 -4.549 348 HB3 ALA 48 HB3 ALA 48 -30.449 -15.278 -3.303 349 H GLY 49 HN GLY 49 -26.535 -16.485 -3.797 350 HA2 GLY 49 HA2 GLY 49 -25.323 -14.587 -4.684 351 HA3 GLY 49 HA1 GLY 49 -25.972 -13.615 -3.368 352 H TRP 50 HN TRP 50 -25.523 -15.706 -1.349 353 HA TRP 50 HA TRP 50 -22.709 -15.080 -0.876 354 HB2 TRP 50 HB2 TRP 50 -24.825 -16.347 0.877 355 HB3 TRP 50 HB1 TRP 50 -23.164 -16.074 1.387 356 HD1 TRP 50 HD1 TRP 50 -26.132 -13.928 0.068 357 HE1 TRP 50 HE1 TRP 50 -26.060 -11.667 1.296 358 HE3 TRP 50 HE3 TRP 50 -21.883 -14.632 2.816 359 HZ2 TRP 50 HZ2 TRP 50 -24.422 -10.355 3.175 360 HZ3 TRP 50 HZ3 TRP 50 -21.126 -12.821 4.302 361 HH2 TRP 50 HH2 TRP 50 -22.371 -10.726 4.477 362 H GLU 51 HN GLU 51 -21.078 -16.552 -0.690 363 HA GLU 51 HA GLU 51 -21.709 -19.386 -1.194 364 HB2 GLU 51 HB2 GLU 51 -19.804 -19.575 -2.684 365 HB3 GLU 51 HB1 GLU 51 -20.873 -18.304 -3.268 366 HG2 GLU 51 HG2 GLU 51 -19.399 -16.634 -2.216 367 HG3 GLU 51 HG1 GLU 51 -18.307 -17.922 -1.739 368 H THR 52 HN THR 52 -20.118 -20.857 -0.450 369 HA THR 52 HA THR 52 -18.666 -19.921 1.942 370 HB THR 52 HB THR 52 -19.021 -22.344 2.727 371 HG1 THR 52 HG1 THR 52 -19.778 -23.463 1.045 372 HG21 THR 52 HG21 THR 52 -20.263 -20.512 3.734 373 HG22 THR 52 HG22 THR 52 -21.323 -21.903 3.525 374 HG23 THR 52 HG23 THR 52 -21.428 -20.538 2.412 375 H VAL 53 HN VAL 53 -16.809 -21.200 2.570 376 HA VAL 53 HA VAL 53 -15.575 -23.072 0.804 377 HB VAL 53 HB VAL 53 -13.440 -21.381 0.730 378 HG11 VAL 53 HG11 VAL 53 -14.356 -22.698 -1.150 379 HG12 VAL 53 HG12 VAL 53 -13.893 -21.068 -1.630 380 HG13 VAL 53 HG13 VAL 53 -15.594 -21.464 -1.392 381 HG21 VAL 53 HG21 VAL 53 -14.702 -19.482 1.635 382 HG22 VAL 53 HG22 VAL 53 -15.834 -19.591 0.287 383 HG23 VAL 53 HG23 VAL 53 -14.147 -19.169 -0.008 384 H GLY 54 HN GLY 54 -13.843 -24.117 1.728 385 HA2 GLY 54 HA2 GLY 54 -11.904 -24.087 3.182 386 HA3 GLY 54 HA1 GLY 54 -12.821 -23.097 4.304 387 H GLU 55 HN GLU 55 -11.772 -24.949 5.602 388 HA GLU 55 HA GLU 55 -13.725 -27.131 5.932 389 HB2 GLU 55 HB2 GLU 55 -11.299 -27.723 5.886 390 HB3 GLU 55 HB1 GLU 55 -11.029 -26.662 7.259 391 HG2 GLU 55 HG2 GLU 55 -11.107 -28.752 8.233 392 HG3 GLU 55 HG1 GLU 55 -12.747 -28.157 8.476 393 HA PRO 56 HA PRO 56 -15.665 -24.552 9.051 394 HB2 PRO 56 HB2 PRO 56 -16.819 -26.583 10.539 395 HB3 PRO 56 HB1 PRO 56 -17.535 -25.869 9.096 396 HG2 PRO 56 HG2 PRO 56 -15.943 -28.394 9.370 397 HG3 PRO 56 HG1 PRO 56 -17.405 -28.091 8.411 398 HD2 PRO 56 HD2 PRO 56 -15.018 -28.148 7.247 399 HD3 PRO 56 HD1 PRO 56 -16.223 -26.969 6.749 400 H ALA 57 HN ALA 57 -14.633 -23.643 10.692 401 HA ALA 57 HA ALA 57 -13.347 -25.151 12.790 402 HB1 ALA 57 HB1 ALA 57 -11.069 -24.386 12.361 403 HB2 ALA 57 HB2 ALA 57 -11.599 -23.588 10.880 404 HB3 ALA 57 HB3 ALA 57 -11.663 -25.347 11.005 405 H THR 58 HN THR 58 -12.431 -23.725 14.452 406 HA THR 58 HA THR 58 -14.169 -21.648 15.096 407 HB THR 58 HB THR 58 -12.820 -22.842 16.783 408 HG1 THR 58 HG1 THR 58 -13.511 -21.015 17.678 409 HG21 THR 58 HG21 THR 58 -10.470 -22.234 17.155 410 HG22 THR 58 HG22 THR 58 -10.496 -21.223 15.710 411 HG23 THR 58 HG23 THR 58 -10.691 -22.970 15.568 412 H LYS 59 HN LYS 59 -13.795 -19.372 15.305 413 HA LYS 59 HA LYS 59 -13.220 -18.117 12.942 414 HB2 LYS 59 HB2 LYS 59 -14.492 -17.123 14.800 415 HB3 LYS 59 HB1 LYS 59 -13.003 -16.920 15.710 416 HG2 LYS 59 HG2 LYS 59 -12.174 -15.351 14.037 417 HG3 LYS 59 HG1 LYS 59 -13.640 -15.584 13.080 418 HD2 LYS 59 HD2 LYS 59 -14.987 -14.713 14.943 419 HD3 LYS 59 HD1 LYS 59 -13.519 -14.471 15.889 420 HE2 LYS 59 HE2 LYS 59 -12.716 -12.859 14.220 421 HE3 LYS 59 HE1 LYS 59 -14.186 -13.106 13.275 422 HZ1 LYS 59 HZ1 LYS 59 -14.123 -12.081 16.062 423 HZ2 LYS 59 HZ2 LYS 59 -15.490 -12.223 15.076 424 HZ3 LYS 59 HZ3 LYS 59 -14.278 -11.112 14.686 425 H GLN 60 HN GLN 60 -11.031 -18.538 15.698 426 HA GLN 60 HA GLN 60 -8.859 -17.057 14.835 427 HB2 GLN 60 HB2 GLN 60 -9.089 -18.179 17.054 428 HB3 GLN 60 HB1 GLN 60 -8.738 -19.718 16.280 429 HG2 GLN 60 HG2 GLN 60 -6.524 -18.874 15.628 430 HG3 GLN 60 HG1 GLN 60 -6.882 -17.344 16.431 431 HE21 GLN 60 HE21 GLN 60 -6.102 -20.698 16.873 432 HE22 GLN 60 HE22 GLN 60 -5.755 -20.602 18.561 433 H GLN 61 HN GLN 61 -9.695 -20.409 14.042 434 HA GLN 61 HA GLN 61 -7.413 -20.825 12.345 435 HB2 GLN 61 HB2 GLN 61 -9.983 -22.372 12.722 436 HB3 GLN 61 HB1 GLN 61 -8.702 -22.890 11.638 437 HG2 GLN 61 HG2 GLN 61 -8.389 -22.483 14.610 438 HG3 GLN 61 HG1 GLN 61 -8.660 -24.037 13.820 439 HE21 GLN 61 HE21 GLN 61 -6.403 -23.214 15.452 440 HE22 GLN 61 HE22 GLN 61 -5.001 -23.375 14.455 441 H CYS 62 HN CYS 62 -10.772 -19.906 11.903 442 HA CYS 62 HA CYS 62 -10.907 -20.240 9.113 443 HB2 CYS 62 HB2 CYS 62 -12.838 -19.953 10.769 444 HB3 CYS 62 HB1 CYS 62 -12.523 -18.227 10.684 445 HG CYS 62 HG CYS 62 -13.991 -20.258 8.457 446 H LEU 63 HN LEU 63 -10.143 -17.395 11.113 447 HA LEU 63 HA LEU 63 -9.739 -15.663 8.906 448 HB2 LEU 63 HB2 LEU 63 -8.750 -14.100 10.462 449 HB3 LEU 63 HB1 LEU 63 -10.204 -14.790 11.146 450 HG LEU 63 HG LEU 63 -8.504 -16.413 12.356 451 HD11 LEU 63 HD11 LEU 63 -6.777 -13.992 11.827 452 HD12 LEU 63 HD12 LEU 63 -6.495 -15.626 11.225 453 HD13 LEU 63 HD13 LEU 63 -6.409 -15.299 12.952 454 HD21 LEU 63 HD21 LEU 63 -8.458 -14.902 14.262 455 HD22 LEU 63 HD22 LEU 63 -10.034 -14.860 13.471 456 HD23 LEU 63 HD23 LEU 63 -8.886 -13.546 13.217 457 H GLN 64 HN GLN 64 -7.620 -17.805 10.763 458 HA GLN 64 HA GLN 64 -5.167 -17.144 9.622 459 HB2 GLN 64 HB2 GLN 64 -5.205 -18.754 11.401 460 HB3 GLN 64 HB1 GLN 64 -6.274 -19.822 10.503 461 HG2 GLN 64 HG2 GLN 64 -4.417 -20.140 8.844 462 HG3 GLN 64 HG1 GLN 64 -3.361 -19.250 9.938 463 HE21 GLN 64 HE21 GLN 64 -4.666 -20.418 12.323 464 HE22 GLN 64 HE22 GLN 64 -4.093 -22.044 12.418 465 H ARG 65 HN ARG 65 -7.764 -19.217 8.431 466 HA ARG 65 HA ARG 65 -6.432 -20.366 6.271 467 HB2 ARG 65 HB2 ARG 65 -8.515 -21.314 6.882 468 HB3 ARG 65 HB1 ARG 65 -9.344 -19.765 6.773 469 HG2 ARG 65 HG2 ARG 65 -9.046 -19.779 4.341 470 HG3 ARG 65 HG1 ARG 65 -8.234 -21.339 4.451 471 HD2 ARG 65 HD2 ARG 65 -10.209 -22.447 5.069 472 HD3 ARG 65 HD1 ARG 65 -11.021 -20.940 5.505 473 HE ARG 65 HE ARG 65 -11.646 -20.698 3.325 474 HH11 ARG 65 HH11 ARG 65 -9.144 -23.115 3.501 475 HH12 ARG 65 HH12 ARG 65 -9.041 -23.325 1.782 476 HH21 ARG 65 HH21 ARG 65 -11.553 -21.020 1.034 477 HH22 ARG 65 HH22 ARG 65 -10.413 -22.157 0.388 478 H ILE 66 HN ILE 66 -8.460 -17.427 6.334 479 HA ILE 66 HA ILE 66 -8.076 -16.928 3.547 480 HB ILE 66 HB ILE 66 -9.093 -14.674 4.058 481 HG12 ILE 66 HG12 ILE 66 -9.497 -15.889 6.807 482 HG13 ILE 66 HG11 ILE 66 -8.361 -14.594 6.456 483 HG21 ILE 66 HG21 ILE 66 -10.422 -16.541 3.272 484 HG22 ILE 66 HG22 ILE 66 -11.331 -15.622 4.472 485 HG23 ILE 66 HG23 ILE 66 -10.580 -17.155 4.917 486 HD11 ILE 66 HD11 ILE 66 -10.262 -13.185 5.730 487 HD12 ILE 66 HD12 ILE 66 -10.370 -13.685 7.420 488 HD13 ILE 66 HD13 ILE 66 -11.364 -14.485 6.197 489 H GLU 67 HN GLU 67 -6.519 -15.755 6.489 490 HA GLU 67 HA GLU 67 -5.003 -13.705 5.256 491 HB2 GLU 67 HB2 GLU 67 -4.404 -15.281 7.772 492 HB3 GLU 67 HB1 GLU 67 -3.581 -13.806 7.278 493 HG2 GLU 67 HG2 GLU 67 -6.448 -14.126 8.124 494 HG3 GLU 67 HG1 GLU 67 -5.179 -13.195 8.909 495 H GLN 68 HN GLN 68 -4.507 -17.143 5.647 496 HA GLN 68 HA GLN 68 -1.777 -17.090 4.702 497 HB2 GLN 68 HB2 GLN 68 -3.663 -19.439 5.033 498 HB3 GLN 68 HB1 GLN 68 -1.925 -19.541 4.786 499 HG2 GLN 68 HG2 GLN 68 -3.172 -18.179 7.163 500 HG3 GLN 68 HG1 GLN 68 -2.746 -19.886 7.143 501 HE21 GLN 68 HE21 GLN 68 -0.636 -20.482 7.308 502 HE22 GLN 68 HE22 GLN 68 0.645 -19.382 7.660 503 H LEU 69 HN LEU 69 -4.855 -17.066 3.192 504 HA LEU 69 HA LEU 69 -3.796 -18.298 0.734 505 HB2 LEU 69 HB2 LEU 69 -6.645 -17.837 1.618 506 HB3 LEU 69 HB1 LEU 69 -6.201 -18.416 0.023 507 HG LEU 69 HG LEU 69 -5.675 -19.850 2.635 508 HD11 LEU 69 HD11 LEU 69 -7.319 -21.458 1.844 509 HD12 LEU 69 HD12 LEU 69 -7.578 -20.504 0.384 510 HD13 LEU 69 HD13 LEU 69 -8.037 -19.851 1.958 511 HD21 LEU 69 HD21 LEU 69 -3.904 -20.258 0.973 512 HD22 LEU 69 HD22 LEU 69 -5.128 -20.749 -0.200 513 HD23 LEU 69 HD23 LEU 69 -4.878 -21.698 1.266 514 H TRP 70 HN TRP 70 -6.124 -15.728 1.548 515 HA TRP 70 HA TRP 70 -5.705 -14.494 -1.047 516 HB2 TRP 70 HB2 TRP 70 -7.982 -14.761 -0.127 517 HB3 TRP 70 HB1 TRP 70 -7.552 -13.737 1.237 518 HD1 TRP 70 HD1 TRP 70 -7.558 -11.114 0.848 519 HE1 TRP 70 HE1 TRP 70 -8.413 -9.624 -1.068 520 HE3 TRP 70 HE3 TRP 70 -8.239 -14.701 -2.730 521 HZ2 TRP 70 HZ2 TRP 70 -9.262 -9.927 -3.740 522 HZ3 TRP 70 HZ3 TRP 70 -9.075 -14.017 -4.940 523 HH2 TRP 70 HH2 TRP 70 -9.577 -11.679 -5.435 524 H THR 71 HN THR 71 -5.363 -13.666 2.349 525 HA THR 71 HA THR 71 -4.245 -11.079 1.775 526 HB THR 71 HB THR 71 -4.181 -12.256 4.528 527 HG1 THR 71 HG1 THR 71 -6.368 -12.066 4.742 528 HG21 THR 71 HG21 THR 71 -3.411 -9.941 4.096 529 HG22 THR 71 HG22 THR 71 -4.836 -9.976 5.135 530 HG23 THR 71 HG23 THR 71 -4.997 -9.552 3.430 531 H ASP 72 HN ASP 72 -3.043 -14.172 1.817 532 HA ASP 72 HA ASP 72 -0.882 -14.448 3.363 533 HB2 ASP 72 HB2 ASP 72 -1.063 -16.319 2.121 534 HB3 ASP 72 HB1 ASP 72 -1.667 -15.446 0.724 535 H MET 73 HN MET 73 -0.892 -12.260 0.590 536 HA MET 73 HA MET 73 1.945 -12.073 0.407 537 HB2 MET 73 HB2 MET 73 0.449 -11.424 -1.452 538 HB3 MET 73 HB1 MET 73 -0.148 -10.077 -0.493 539 HG2 MET 73 HG2 MET 73 1.965 -8.981 -0.567 540 HG3 MET 73 HG1 MET 73 2.745 -10.402 -1.261 541 HE1 MET 73 HE1 MET 73 -0.048 -7.667 -1.909 542 HE2 MET 73 HE2 MET 73 -0.825 -9.198 -2.316 543 HE3 MET 73 HE3 MET 73 -0.463 -8.028 -3.585 544 H VAL 74 HN VAL 74 2.484 -11.917 2.628 545 HA VAL 74 HA VAL 74 1.848 -9.396 3.994 546 HB VAL 74 HB VAL 74 1.209 -11.378 5.246 547 HG11 VAL 74 HG11 VAL 74 4.106 -12.223 5.062 548 HG12 VAL 74 HG12 VAL 74 2.750 -12.981 4.225 549 HG13 VAL 74 HG13 VAL 74 2.843 -13.043 5.986 550 HG21 VAL 74 HG21 VAL 74 2.404 -10.990 7.339 551 HG22 VAL 74 HG22 VAL 74 2.064 -9.457 6.531 552 HG23 VAL 74 HG23 VAL 74 3.688 -10.144 6.471 553 HA PRO 75 HA PRO 75 6.226 -8.354 3.693 554 HB2 PRO 75 HB2 PRO 75 6.059 -5.890 4.719 555 HB3 PRO 75 HB1 PRO 75 5.357 -6.255 3.137 556 HG2 PRO 75 HG2 PRO 75 4.000 -5.961 5.792 557 HG3 PRO 75 HG1 PRO 75 3.466 -5.408 4.193 558 HD2 PRO 75 HD2 PRO 75 2.618 -7.741 5.465 559 HD3 PRO 75 HD1 PRO 75 2.475 -7.410 3.728 560 H ALA 76 HN ALA 76 7.224 -6.567 5.757 561 HA ALA 76 HA ALA 76 8.138 -8.429 7.642 562 HB1 ALA 76 HB1 ALA 76 9.162 -6.536 8.782 563 HB2 ALA 76 HB2 ALA 76 8.155 -5.416 7.864 564 HB3 ALA 76 HB3 ALA 76 9.368 -6.391 7.035 565 H SER 77 HN SER 77 5.144 -6.881 7.519 566 HA SER 77 HA SER 77 4.529 -6.309 10.164 567 HB2 SER 77 HB2 SER 77 3.092 -5.730 8.213 568 HB3 SER 77 HB1 SER 77 2.642 -7.428 8.066 569 HG SER 77 HG SER 77 1.053 -6.541 9.268 570 H VAL 78 HN VAL 78 4.996 -9.369 8.641 571 HA VAL 78 HA VAL 78 3.472 -11.067 10.229 572 HB VAL 78 HB VAL 78 4.595 -11.936 8.284 573 HG11 VAL 78 HG11 VAL 78 7.024 -12.243 8.162 574 HG12 VAL 78 HG12 VAL 78 7.210 -11.424 9.713 575 HG13 VAL 78 HG13 VAL 78 6.599 -10.538 8.315 576 HG21 VAL 78 HG21 VAL 78 5.694 -13.238 10.784 577 HG22 VAL 78 HG22 VAL 78 5.579 -13.993 9.193 578 HG23 VAL 78 HG23 VAL 78 4.112 -13.540 10.061 579 H ARG 79 HN ARG 79 6.825 -9.953 10.801 580 HA ARG 79 HA ARG 79 7.012 -11.291 13.328 581 HB2 ARG 79 HB2 ARG 79 9.139 -10.165 13.602 582 HB3 ARG 79 HB1 ARG 79 9.015 -10.846 11.985 583 HG2 ARG 79 HG2 ARG 79 8.934 -8.798 10.970 584 HG3 ARG 79 HG1 ARG 79 8.215 -8.004 12.374 585 HD2 ARG 79 HD2 ARG 79 11.071 -8.957 12.161 586 HD3 ARG 79 HD1 ARG 79 10.522 -7.290 12.004 587 HE ARG 79 HE ARG 79 9.735 -8.547 14.472 588 HH11 ARG 79 HH11 ARG 79 12.273 -6.747 12.874 589 HH12 ARG 79 HH12 ARG 79 12.894 -6.077 14.347 590 HH21 ARG 79 HH21 ARG 79 10.548 -7.691 16.402 591 HH22 ARG 79 HH22 ARG 79 11.908 -6.611 16.364 592 H GLU 80 HN GLU 80 5.777 -8.275 12.268 593 HA GLU 80 HA GLU 80 5.908 -6.949 14.813 594 HB2 GLU 80 HB2 GLU 80 4.227 -6.347 12.364 595 HB3 GLU 80 HB1 GLU 80 4.405 -5.286 13.756 596 HG2 GLU 80 HG2 GLU 80 6.623 -6.145 11.899 597 HG3 GLU 80 HG1 GLU 80 5.809 -4.581 11.884 598 H HIS 81 HN HIS 81 3.972 -9.378 13.471 599 HA HIS 81 HA HIS 81 1.791 -8.922 15.395 600 HB2 HIS 81 HB2 HIS 81 2.024 -10.696 12.959 601 HB3 HIS 81 HB1 HIS 81 0.731 -10.894 14.134 602 HD1 HIS 81 HD1 HIS 81 -0.560 -10.358 11.729 603 HD2 HIS 81 HD2 HIS 81 1.216 -7.195 13.753 604 HE1 HIS 81 HE1 HIS 81 -1.662 -8.286 10.839 605 HE2 HIS 81 HE2 HIS 81 -0.704 -6.408 12.207 606 H LEU 82 HN LEU 82 3.951 -11.494 14.242 607 HA LEU 82 HA LEU 82 3.325 -13.163 16.547 608 HB2 LEU 82 HB2 LEU 82 5.198 -13.710 14.237 609 HB3 LEU 82 HB1 LEU 82 4.614 -14.879 15.406 610 HG LEU 82 HG LEU 82 2.934 -13.468 13.321 611 HD11 LEU 82 HD11 LEU 82 4.442 -15.157 12.388 612 HD12 LEU 82 HD12 LEU 82 2.757 -15.663 12.284 613 HD13 LEU 82 HD13 LEU 82 3.809 -16.352 13.520 614 HD21 LEU 82 HD21 LEU 82 1.630 -13.880 15.324 615 HD22 LEU 82 HD22 LEU 82 2.179 -15.556 15.370 616 HD23 LEU 82 HD23 LEU 82 1.144 -15.002 14.052 617 H ASN 83 HN ASN 83 5.310 -14.373 17.463 618 HA ASN 83 HA ASN 83 7.503 -12.454 17.946 619 HB2 ASN 83 HB2 ASN 83 6.179 -12.964 19.979 620 HB3 ASN 83 HB1 ASN 83 6.526 -14.678 19.769 621 HD21 ASN 83 HD21 ASN 83 7.589 -14.860 21.730 622 HD22 ASN 83 HD22 ASN 83 9.153 -14.171 22.007 623 H GLN 84 HN GLN 84 6.948 -15.977 18.210 624 HA GLN 84 HA GLN 84 9.641 -16.467 17.213 625 HB2 GLN 84 HB2 GLN 84 9.116 -18.868 17.682 626 HB3 GLN 84 HB1 GLN 84 8.999 -17.818 19.087 627 HG2 GLN 84 HG2 GLN 84 6.566 -17.787 18.877 628 HG3 GLN 84 HG1 GLN 84 6.669 -18.823 17.454 629 HE21 GLN 84 HE21 GLN 84 5.322 -19.265 20.002 630 HE22 GLN 84 HE22 GLN 84 5.974 -20.736 20.636 631 H HIS 85 HN HIS 85 9.176 -15.538 15.151 632 HA HIS 85 HA HIS 85 7.174 -16.453 13.402 633 HB2 HIS 85 HB2 HIS 85 8.517 -15.360 11.610 634 HB3 HIS 85 HB1 HIS 85 8.255 -14.325 13.009 635 HD1 HIS 85 HD1 HIS 85 10.951 -16.281 11.255 636 HD2 HIS 85 HD2 HIS 85 10.553 -13.516 14.330 637 HE1 HIS 85 HE1 HIS 85 13.286 -15.540 11.797 638 HE2 HIS 85 HE2 HIS 85 13.006 -13.754 13.548 639 H SER 86 HN SER 86 10.206 -17.848 14.264 640 HA SER 86 HA SER 86 10.186 -19.652 11.951 641 HB2 SER 86 HB2 SER 86 12.218 -19.368 14.186 642 HB3 SER 86 HB1 SER 86 12.413 -20.330 12.719 643 HG SER 86 HG SER 86 12.288 -18.393 11.514 644 H GLY 87 HN GLY 87 8.317 -19.651 14.397 645 HA2 GLY 87 HA2 GLY 87 8.916 -22.148 15.737 646 HA3 GLY 87 HA1 GLY 87 7.506 -21.133 15.993 647 HA PRO 88 HA PRO 88 6.556 -24.931 13.257 648 HB2 PRO 88 HB2 PRO 88 5.301 -26.159 15.614 649 HB3 PRO 88 HB1 PRO 88 6.508 -26.832 14.514 650 HG2 PRO 88 HG2 PRO 88 7.100 -26.159 17.062 651 HG3 PRO 88 HG1 PRO 88 8.280 -26.013 15.745 652 HD2 PRO 88 HD2 PRO 88 6.595 -23.879 17.024 653 HD3 PRO 88 HD1 PRO 88 8.311 -23.832 16.559 654 H GLY 89 HN GLY 89 5.185 -23.100 12.543 655 HA2 GLY 89 HA2 GLY 89 2.407 -23.738 12.868 656 HA3 GLY 89 HA1 GLY 89 2.834 -22.222 13.651 657 H ILE 90 HN ILE 90 4.602 -21.087 11.993 658 HA ILE 90 HA ILE 90 4.772 -19.754 10.163 659 HB ILE 90 HB ILE 90 3.378 -21.966 8.631 660 HG12 ILE 90 HG12 ILE 90 6.335 -21.682 9.269 661 HG13 ILE 90 HG11 ILE 90 5.258 -22.893 9.954 662 HG21 ILE 90 HG21 ILE 90 3.668 -19.816 7.474 663 HG22 ILE 90 HG22 ILE 90 4.625 -21.100 6.729 664 HG23 ILE 90 HG23 ILE 90 5.404 -19.902 7.765 665 HD11 ILE 90 HD11 ILE 90 6.037 -22.641 7.055 666 HD12 ILE 90 HD12 ILE 90 4.913 -23.829 7.713 667 HD13 ILE 90 HD13 ILE 90 6.606 -23.854 8.202 668 H ASP 91 HN ASP 91 2.569 -19.449 11.839 669 HA ASP 91 HA ASP 91 0.205 -18.977 10.233 670 HB2 ASP 91 HB2 ASP 91 -0.798 -18.267 12.427 671 HB3 ASP 91 HB1 ASP 91 -0.192 -19.918 12.403 672 H TYR 92 HN TYR 92 1.507 -17.415 8.915 673 HA TYR 92 HA TYR 92 2.175 -14.891 10.131 674 HB2 TYR 92 HB2 TYR 92 2.704 -14.202 7.765 675 HB3 TYR 92 HB1 TYR 92 3.624 -15.561 8.383 676 HD1 TYR 92 HD1 TYR 92 1.026 -14.524 5.990 677 HD2 TYR 92 HD2 TYR 92 3.376 -17.772 7.419 678 HE1 TYR 92 HE1 TYR 92 0.400 -15.839 4.013 679 HE2 TYR 92 HE2 TYR 92 2.756 -19.095 5.442 680 HH TYR 92 HH TYR 92 1.217 -17.710 2.718 681 H ALA 93 HN ALA 93 -0.306 -15.138 10.780 682 HA ALA 93 HA ALA 93 -2.275 -14.237 8.979 683 HB1 ALA 93 HB1 ALA 93 -2.219 -13.999 11.992 684 HB2 ALA 93 HB2 ALA 93 -2.831 -15.374 11.073 685 HB3 ALA 93 HB3 ALA 93 -3.641 -13.811 10.967 686 H VAL 94 HN VAL 94 -1.898 -12.416 7.877 687 HA VAL 94 HA VAL 94 -0.757 -10.073 9.163 688 HB VAL 94 HB VAL 94 0.111 -10.722 6.994 689 HG11 VAL 94 HG11 VAL 94 -2.701 -10.341 5.973 690 HG12 VAL 94 HG12 VAL 94 -1.812 -11.860 6.076 691 HG13 VAL 94 HG13 VAL 94 -1.282 -10.603 4.958 692 HG21 VAL 94 HG21 VAL 94 0.151 -8.366 7.504 693 HG22 VAL 94 HG22 VAL 94 -1.481 -8.170 6.874 694 HG23 VAL 94 HG23 VAL 94 -0.159 -8.585 5.780 695 H ARG 95 HN ARG 95 -3.359 -11.011 9.827 696 HA ARG 95 HA ARG 95 -5.474 -9.490 8.854 697 HB2 ARG 95 HB2 ARG 95 -5.781 -11.481 10.262 698 HB3 ARG 95 HB1 ARG 95 -5.080 -10.638 11.635 699 HG2 ARG 95 HG2 ARG 95 -7.463 -9.418 10.332 700 HG3 ARG 95 HG1 ARG 95 -7.705 -10.876 11.292 701 HD2 ARG 95 HD2 ARG 95 -6.290 -8.412 12.314 702 HD3 ARG 95 HD1 ARG 95 -8.011 -8.715 12.532 703 HE ARG 95 HE ARG 95 -7.441 -10.636 13.882 704 HH11 ARG 95 HH11 ARG 95 -4.745 -8.509 13.138 705 HH12 ARG 95 HH12 ARG 95 -3.852 -8.949 14.565 706 HH21 ARG 95 HH21 ARG 95 -6.252 -11.228 15.726 707 HH22 ARG 95 HH22 ARG 95 -4.703 -10.502 16.030 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 2.092 -28.943 -23.126 2 H2 MET 1 HT2 MET 1 1.054 -27.698 -23.607 3 H3 MET 1 HT3 MET 1 1.143 -28.144 -21.978 4 HA MET 1 HA MET 1 3.305 -26.913 -23.579 5 HB2 MET 1 HB2 MET 1 1.538 -25.320 -22.978 6 HB3 MET 1 HB1 MET 1 1.634 -25.821 -21.294 7 HG2 MET 1 HG2 MET 1 2.770 -23.707 -21.628 8 HG3 MET 1 HG1 MET 1 3.919 -24.958 -21.160 9 HE1 MET 1 HE1 MET 1 5.896 -23.307 -21.957 10 HE2 MET 1 HE2 MET 1 4.707 -22.105 -22.464 11 HE3 MET 1 HE3 MET 1 5.979 -22.610 -23.575 12 H ALA 2 HN ALA 2 5.204 -27.711 -22.968 13 HA ALA 2 HA ALA 2 5.525 -29.107 -20.466 14 HB1 ALA 2 HB1 ALA 2 7.778 -29.607 -21.279 15 HB2 ALA 2 HB2 ALA 2 7.548 -28.491 -22.626 16 HB3 ALA 2 HB3 ALA 2 6.566 -29.953 -22.511 17 H HIS 3 HN HIS 3 4.901 -26.830 -19.490 18 HA HIS 3 HA HIS 3 7.339 -25.281 -18.945 19 HB2 HIS 3 HB2 HIS 3 5.241 -24.043 -19.548 20 HB3 HIS 3 HB1 HIS 3 4.483 -24.689 -18.096 21 HD1 HIS 3 HD1 HIS 3 7.165 -22.285 -19.200 22 HD2 HIS 3 HD2 HIS 3 5.115 -23.349 -15.746 23 HE1 HIS 3 HE1 HIS 3 7.764 -20.538 -17.501 24 HE2 HIS 3 HE2 HIS 3 6.346 -21.087 -15.496 25 H HIS 4 HN HIS 4 8.418 -25.570 -17.084 26 HA HIS 4 HA HIS 4 7.371 -27.642 -15.295 27 HB2 HIS 4 HB2 HIS 4 10.193 -26.578 -15.580 28 HB3 HIS 4 HB1 HIS 4 9.698 -27.951 -14.595 29 HD1 HIS 4 HD1 HIS 4 9.166 -30.172 -15.832 30 HD2 HIS 4 HD2 HIS 4 10.377 -27.074 -18.326 31 HE1 HIS 4 HE1 HIS 4 9.641 -31.240 -18.059 32 HE2 HIS 4 HE2 HIS 4 10.385 -29.349 -19.546 33 H HIS 5 HN HIS 5 6.178 -26.723 -13.754 34 HA HIS 5 HA HIS 5 7.554 -25.443 -11.611 35 HB2 HIS 5 HB2 HIS 5 7.091 -23.432 -12.970 36 HB3 HIS 5 HB1 HIS 5 5.380 -23.846 -13.010 37 HD1 HIS 5 HD1 HIS 5 8.062 -22.858 -10.500 38 HD2 HIS 5 HD2 HIS 5 3.924 -22.836 -10.916 39 HE1 HIS 5 HE1 HIS 5 7.189 -21.590 -8.517 40 HE2 HIS 5 HE2 HIS 5 4.682 -21.661 -8.739 41 H HIS 6 HN HIS 6 6.561 -25.947 -9.705 42 HA HIS 6 HA HIS 6 3.831 -27.072 -9.863 43 HB2 HIS 6 HB2 HIS 6 6.117 -28.138 -8.178 44 HB3 HIS 6 HB1 HIS 6 4.468 -28.751 -8.176 45 HD1 HIS 6 HD1 HIS 6 7.449 -29.960 -9.173 46 HD2 HIS 6 HD2 HIS 6 3.982 -29.211 -11.341 47 HE1 HIS 6 HE1 HIS 6 7.581 -31.448 -11.195 48 HE2 HIS 6 HE2 HIS 6 5.519 -30.916 -12.535 49 H HIS 7 HN HIS 7 2.445 -26.464 -8.301 50 HA HIS 7 HA HIS 7 3.439 -24.639 -6.205 51 HB2 HIS 7 HB2 HIS 7 1.909 -23.573 -7.792 52 HB3 HIS 7 HB1 HIS 7 0.707 -24.823 -7.506 53 HD1 HIS 7 HD1 HIS 7 2.384 -21.925 -5.738 54 HD2 HIS 7 HD2 HIS 7 -1.001 -24.317 -5.433 55 HE1 HIS 7 HE1 HIS 7 0.965 -20.860 -3.962 56 HE2 HIS 7 HE2 HIS 7 -1.165 -22.210 -3.944 57 H HIS 8 HN HIS 8 3.800 -25.916 -4.487 58 HA HIS 8 HA HIS 8 2.107 -28.200 -3.904 59 HB2 HIS 8 HB2 HIS 8 4.626 -27.122 -2.624 60 HB3 HIS 8 HB1 HIS 8 3.736 -28.486 -1.958 61 HD1 HIS 8 HD1 HIS 8 4.712 -30.643 -2.633 62 HD2 HIS 8 HD2 HIS 8 5.232 -27.745 -5.565 63 HE1 HIS 8 HE1 HIS 8 5.986 -31.773 -4.478 64 HE2 HIS 8 HE2 HIS 8 6.118 -30.058 -6.310 65 H MET 9 HN MET 9 0.332 -26.402 -3.645 66 HA MET 9 HA MET 9 -0.165 -26.252 -0.782 67 HB2 MET 9 HB2 MET 9 -0.034 -23.809 -2.552 68 HB3 MET 9 HB1 MET 9 -1.042 -23.836 -1.113 69 HG2 MET 9 HG2 MET 9 1.949 -24.247 -1.174 70 HG3 MET 9 HG1 MET 9 1.114 -22.771 -0.695 71 HE1 MET 9 HE1 MET 9 3.298 -24.243 1.153 72 HE2 MET 9 HE2 MET 9 2.506 -24.109 2.725 73 HE3 MET 9 HE3 MET 9 2.466 -22.753 1.599 74 H GLY 10 HN GLY 10 -2.426 -25.717 -0.315 75 HA2 GLY 10 HA2 GLY 10 -4.170 -27.210 -1.993 76 HA3 GLY 10 HA1 GLY 10 -4.631 -26.302 -0.561 77 H THR 11 HN THR 11 -6.377 -26.308 -2.581 78 HA THR 11 HA THR 11 -5.942 -24.119 -4.414 79 HB THR 11 HB THR 11 -8.502 -25.658 -3.882 80 HG1 THR 11 HG1 THR 11 -7.219 -27.200 -4.675 81 HG21 THR 11 HG21 THR 11 -9.149 -24.909 -6.121 82 HG22 THR 11 HG22 THR 11 -7.635 -24.019 -6.277 83 HG23 THR 11 HG23 THR 11 -8.829 -23.523 -5.077 84 H LEU 12 HN LEU 12 -7.935 -24.736 -1.545 85 HA LEU 12 HA LEU 12 -8.194 -21.883 -1.052 86 HB2 LEU 12 HB2 LEU 12 -10.075 -22.766 -2.636 87 HB3 LEU 12 HB1 LEU 12 -10.724 -23.513 -1.193 88 HG LEU 12 HG LEU 12 -10.236 -20.536 -1.460 89 HD11 LEU 12 HD11 LEU 12 -12.641 -20.318 -1.811 90 HD12 LEU 12 HD12 LEU 12 -12.812 -22.074 -1.815 91 HD13 LEU 12 HD13 LEU 12 -11.899 -21.272 -3.095 92 HD21 LEU 12 HD21 LEU 12 -11.722 -20.360 0.474 93 HD22 LEU 12 HD22 LEU 12 -10.301 -21.330 0.854 94 HD23 LEU 12 HD23 LEU 12 -11.849 -22.118 0.549 95 H GLU 13 HN GLU 13 -9.047 -25.195 -0.131 96 HA GLU 13 HA GLU 13 -9.476 -24.532 2.636 97 HB2 GLU 13 HB2 GLU 13 -9.192 -27.210 1.247 98 HB3 GLU 13 HB1 GLU 13 -9.590 -27.013 2.947 99 HG2 GLU 13 HG2 GLU 13 -11.604 -27.449 1.744 100 HG3 GLU 13 HG1 GLU 13 -11.627 -25.770 2.282 101 H ALA 14 HN ALA 14 -6.779 -24.139 1.179 102 HA ALA 14 HA ALA 14 -4.842 -25.836 2.232 103 HB1 ALA 14 HB1 ALA 14 -4.586 -22.891 1.602 104 HB2 ALA 14 HB2 ALA 14 -4.390 -24.214 0.452 105 HB3 ALA 14 HB3 ALA 14 -3.251 -24.030 1.786 106 H GLN 15 HN GLN 15 -4.107 -26.152 4.236 107 HA GLN 15 HA GLN 15 -4.427 -23.997 6.219 108 HB2 GLN 15 HB2 GLN 15 -4.718 -25.753 7.961 109 HB3 GLN 15 HB1 GLN 15 -6.024 -25.713 6.788 110 HG2 GLN 15 HG2 GLN 15 -5.181 -27.672 5.685 111 HG3 GLN 15 HG1 GLN 15 -3.727 -27.664 6.681 112 HE21 GLN 15 HE21 GLN 15 -7.135 -28.398 6.581 113 HE22 GLN 15 HE22 GLN 15 -7.199 -29.247 8.084 114 H THR 16 HN THR 16 -2.517 -23.256 6.851 115 HA THR 16 HA THR 16 -0.048 -24.519 6.332 116 HB THR 16 HB THR 16 -0.537 -22.406 8.448 117 HG1 THR 16 HG1 THR 16 0.202 -21.320 6.124 118 HG21 THR 16 HG21 THR 16 1.844 -22.976 6.667 119 HG22 THR 16 HG22 THR 16 1.732 -23.349 8.386 120 HG23 THR 16 HG23 THR 16 1.730 -21.669 7.848 121 H GLN 17 HN GLN 17 -2.223 -24.532 9.066 122 HA GLN 17 HA GLN 17 -1.090 -26.931 10.110 123 HB2 GLN 17 HB2 GLN 17 0.490 -25.338 11.112 124 HB3 GLN 17 HB1 GLN 17 -0.843 -24.386 11.748 125 HG2 GLN 17 HG2 GLN 17 0.161 -25.735 13.499 126 HG3 GLN 17 HG1 GLN 17 -1.497 -26.251 13.193 127 HE21 GLN 17 HE21 GLN 17 -1.191 -28.290 14.017 128 HE22 GLN 17 HE22 GLN 17 -0.239 -29.496 13.229 129 H GLY 18 HN GLY 18 -2.575 -28.002 11.397 130 HA2 GLY 18 HA2 GLY 18 -5.128 -26.584 11.891 131 HA3 GLY 18 HA1 GLY 18 -5.025 -28.279 11.439 132 HA PRO 19 HA PRO 19 -3.510 -27.833 16.066 133 HB2 PRO 19 HB2 PRO 19 -4.956 -25.406 16.922 134 HB3 PRO 19 HB1 PRO 19 -3.267 -25.852 17.180 135 HG2 PRO 19 HG2 PRO 19 -3.966 -23.879 15.487 136 HG3 PRO 19 HG1 PRO 19 -2.578 -24.937 15.167 137 HD2 PRO 19 HD2 PRO 19 -5.350 -25.043 14.010 138 HD3 PRO 19 HD1 PRO 19 -3.780 -25.243 13.197 139 H GLY 20 HN GLY 20 -6.601 -27.067 14.748 140 HA2 GLY 20 HA2 GLY 20 -8.535 -28.390 15.105 141 HA3 GLY 20 HA1 GLY 20 -7.898 -28.859 16.675 142 H SER 21 HN SER 21 -9.742 -28.296 17.811 143 HA SER 21 HA SER 21 -9.938 -25.526 18.550 144 HB2 SER 21 HB2 SER 21 -12.409 -25.394 18.020 145 HB3 SER 21 HB1 SER 21 -11.356 -25.399 16.605 146 HG SER 21 HG SER 21 -11.792 -27.865 16.870 147 H MET 22 HN MET 22 -11.820 -25.292 20.192 148 HA MET 22 HA MET 22 -12.108 -27.780 21.757 149 HB2 MET 22 HB2 MET 22 -11.645 -24.961 22.772 150 HB3 MET 22 HB1 MET 22 -12.120 -26.306 23.800 151 HG2 MET 22 HG2 MET 22 -10.066 -27.474 23.294 152 HG3 MET 22 HG1 MET 22 -9.600 -26.217 22.151 153 HE1 MET 22 HE1 MET 22 -9.939 -25.468 26.701 154 HE2 MET 22 HE2 MET 22 -10.279 -27.032 25.961 155 HE3 MET 22 HE3 MET 22 -11.335 -25.656 25.639 156 H ASP 23 HN ASP 23 -14.040 -28.011 20.494 157 HA ASP 23 HA ASP 23 -16.144 -27.597 19.756 158 HB2 ASP 23 HB2 ASP 23 -17.793 -27.654 21.568 159 HB3 ASP 23 HB1 ASP 23 -16.580 -28.909 21.663 160 H ASP 24 HN ASP 24 -14.861 -25.442 19.367 161 HA ASP 24 HA ASP 24 -15.962 -23.040 20.393 162 HB2 ASP 24 HB2 ASP 24 -14.252 -23.757 18.020 163 HB3 ASP 24 HB1 ASP 24 -14.889 -22.133 18.200 164 H GLU 25 HN GLU 25 -16.893 -21.419 18.781 165 HA GLU 25 HA GLU 25 -19.147 -22.528 17.348 166 HB2 GLU 25 HB2 GLU 25 -19.535 -20.079 16.747 167 HB3 GLU 25 HB1 GLU 25 -19.581 -20.457 18.465 168 HG2 GLU 25 HG2 GLU 25 -17.254 -19.656 18.678 169 HG3 GLU 25 HG1 GLU 25 -17.273 -19.218 16.971 170 H LEU 26 HN LEU 26 -18.992 -23.214 15.279 171 HA LEU 26 HA LEU 26 -16.483 -22.893 13.912 172 HB2 LEU 26 HB2 LEU 26 -19.018 -24.337 13.149 173 HB3 LEU 26 HB1 LEU 26 -17.627 -24.239 12.087 174 HG LEU 26 HG LEU 26 -17.468 -26.335 13.112 175 HD11 LEU 26 HD11 LEU 26 -15.659 -24.518 14.694 176 HD12 LEU 26 HD12 LEU 26 -15.350 -25.145 13.076 177 HD13 LEU 26 HD13 LEU 26 -15.440 -26.252 14.443 178 HD21 LEU 26 HD21 LEU 26 -17.624 -26.723 15.525 179 HD22 LEU 26 HD22 LEU 26 -19.108 -26.017 14.887 180 HD23 LEU 26 HD23 LEU 26 -17.966 -25.011 15.781 181 H TYR 27 HN TYR 27 -16.079 -21.914 12.030 182 HA TYR 27 HA TYR 27 -18.132 -20.218 10.801 183 HB2 TYR 27 HB2 TYR 27 -15.318 -19.505 11.628 184 HB3 TYR 27 HB1 TYR 27 -16.061 -18.697 10.255 185 HD1 TYR 27 HD1 TYR 27 -16.709 -19.440 13.877 186 HD2 TYR 27 HD2 TYR 27 -17.288 -16.772 10.606 187 HE1 TYR 27 HE1 TYR 27 -17.758 -17.809 15.393 188 HE2 TYR 27 HE2 TYR 27 -18.336 -15.143 12.112 189 HH TYR 27 HH TYR 27 -18.197 -15.429 15.514 190 H PHE 28 HN PHE 28 -18.011 -20.087 8.595 191 HA PHE 28 HA PHE 28 -15.991 -21.738 7.225 192 HB2 PHE 28 HB2 PHE 28 -18.872 -21.466 6.861 193 HB3 PHE 28 HB1 PHE 28 -18.025 -21.046 5.377 194 HD1 PHE 28 HD1 PHE 28 -15.777 -22.849 5.322 195 HD2 PHE 28 HD2 PHE 28 -19.773 -23.576 6.571 196 HE1 PHE 28 HE1 PHE 28 -15.512 -25.232 4.802 197 HE2 PHE 28 HE2 PHE 28 -19.496 -25.970 6.050 198 HZ PHE 28 HZ PHE 28 -17.373 -26.790 5.151 199 H VAL 29 HN VAL 29 -15.380 -20.849 5.032 200 HA VAL 29 HA VAL 29 -15.035 -17.935 5.201 201 HB VAL 29 HB VAL 29 -13.726 -20.098 3.536 202 HG11 VAL 29 HG11 VAL 29 -13.492 -17.115 3.172 203 HG12 VAL 29 HG12 VAL 29 -14.019 -18.316 1.982 204 HG13 VAL 29 HG13 VAL 29 -12.339 -18.282 2.517 205 HG21 VAL 29 HG21 VAL 29 -12.552 -18.086 5.463 206 HG22 VAL 29 HG22 VAL 29 -11.664 -19.353 4.613 207 HG23 VAL 29 HG23 VAL 29 -12.875 -19.783 5.821 208 H VAL 30 HN VAL 30 -16.623 -16.768 4.187 209 HA VAL 30 HA VAL 30 -18.059 -18.070 1.956 210 HB VAL 30 HB VAL 30 -20.160 -17.279 2.742 211 HG11 VAL 30 HG11 VAL 30 -19.409 -19.384 3.696 212 HG12 VAL 30 HG12 VAL 30 -20.395 -18.496 4.859 213 HG13 VAL 30 HG13 VAL 30 -18.639 -18.528 5.033 214 HG21 VAL 30 HG21 VAL 30 -20.449 -15.973 4.778 215 HG22 VAL 30 HG22 VAL 30 -19.414 -15.114 3.641 216 HG23 VAL 30 HG23 VAL 30 -18.705 -15.939 5.031 217 H ARG 31 HN ARG 31 -19.361 -16.551 0.641 218 HA ARG 31 HA ARG 31 -18.807 -13.725 0.809 219 HB2 ARG 31 HB2 ARG 31 -17.580 -13.505 -1.314 220 HB3 ARG 31 HB1 ARG 31 -16.668 -14.441 -0.137 221 HG2 ARG 31 HG2 ARG 31 -17.345 -16.512 -1.250 222 HG3 ARG 31 HG1 ARG 31 -18.271 -15.577 -2.426 223 HD2 ARG 31 HD2 ARG 31 -16.184 -14.469 -3.150 224 HD3 ARG 31 HD1 ARG 31 -15.280 -15.465 -2.007 225 HE ARG 31 HE ARG 31 -16.793 -17.142 -3.678 226 HH11 ARG 31 HH11 ARG 31 -14.000 -15.021 -3.867 227 HH12 ARG 31 HH12 ARG 31 -13.276 -15.901 -5.176 228 HH21 ARG 31 HH21 ARG 31 -15.845 -18.277 -5.392 229 HH22 ARG 31 HH22 ARG 31 -14.319 -17.754 -6.040 230 H ASN 32 HN ASN 32 -19.754 -12.532 -1.112 231 HA ASN 32 HA ASN 32 -21.406 -14.077 -2.918 232 HB2 ASN 32 HB2 ASN 32 -23.524 -13.063 -2.364 233 HB3 ASN 32 HB1 ASN 32 -22.871 -13.793 -0.906 234 HD21 ASN 32 HD21 ASN 32 -20.985 -11.624 -0.356 235 HD22 ASN 32 HD22 ASN 32 -21.939 -10.295 0.185 236 H ASN 33 HN ASN 33 -21.732 -13.068 -4.792 237 HA ASN 33 HA ASN 33 -21.242 -11.691 -6.535 238 HB2 ASN 33 HB2 ASN 33 -23.416 -10.878 -5.489 239 HB3 ASN 33 HB1 ASN 33 -22.477 -9.565 -4.786 240 HD21 ASN 33 HD21 ASN 33 -23.527 -7.961 -5.918 241 HD22 ASN 33 HD22 ASN 33 -23.354 -7.739 -7.625 242 H GLU 34 HN GLU 34 -19.151 -11.518 -4.176 243 HA GLU 34 HA GLU 34 -18.062 -8.858 -4.835 244 HB2 GLU 34 HB2 GLU 34 -16.997 -8.894 -2.624 245 HB3 GLU 34 HB1 GLU 34 -18.741 -9.101 -2.495 246 HG2 GLU 34 HG2 GLU 34 -18.291 -11.603 -2.394 247 HG3 GLU 34 HG1 GLU 34 -16.595 -11.184 -2.168 248 H GLY 35 HN GLY 35 -17.333 -12.269 -4.605 249 HA2 GLY 35 HA2 GLY 35 -15.524 -13.469 -5.400 250 HA3 GLY 35 HA1 GLY 35 -14.856 -11.972 -6.034 251 H GLN 36 HN GLN 36 -15.112 -10.746 -3.278 252 HA GLN 36 HA GLN 36 -12.560 -11.514 -2.230 253 HB2 GLN 36 HB2 GLN 36 -14.681 -9.678 -1.073 254 HB3 GLN 36 HB1 GLN 36 -13.030 -9.823 -0.485 255 HG2 GLN 36 HG2 GLN 36 -13.884 -8.800 -3.188 256 HG3 GLN 36 HG1 GLN 36 -13.278 -7.834 -1.845 257 HE21 GLN 36 HE21 GLN 36 -11.081 -7.972 -1.297 258 HE22 GLN 36 HE22 GLN 36 -9.906 -8.569 -2.414 259 H TYR 37 HN TYR 37 -12.540 -11.819 0.347 260 HA TYR 37 HA TYR 37 -14.388 -14.063 0.806 261 HB2 TYR 37 HB2 TYR 37 -11.446 -13.827 1.362 262 HB3 TYR 37 HB1 TYR 37 -12.447 -14.951 2.287 263 HD1 TYR 37 HD2 TYR 37 -14.207 -16.213 0.674 264 HD2 TYR 37 HD1 TYR 37 -10.338 -14.836 -0.446 265 HE1 TYR 37 HE2 TYR 37 -14.157 -17.853 -1.168 266 HE2 TYR 37 HE1 TYR 37 -10.283 -16.458 -2.294 267 HH TYR 37 HH TYR 37 -11.332 -18.609 -2.874 268 H SER 38 HN SER 38 -15.330 -14.371 2.683 269 HA SER 38 HA SER 38 -14.665 -12.666 4.949 270 HB2 SER 38 HB2 SER 38 -17.477 -13.125 3.899 271 HB3 SER 38 HB1 SER 38 -17.072 -12.257 5.379 272 HG SER 38 HG SER 38 -16.929 -11.439 2.746 273 H VAL 39 HN VAL 39 -16.201 -13.552 6.905 274 HA VAL 39 HA VAL 39 -16.201 -16.498 6.751 275 HB VAL 39 HB VAL 39 -15.504 -16.577 9.152 276 HG11 VAL 39 HG11 VAL 39 -13.534 -15.306 7.240 277 HG12 VAL 39 HG12 VAL 39 -13.912 -17.027 7.350 278 HG13 VAL 39 HG13 VAL 39 -13.118 -16.208 8.697 279 HG21 VAL 39 HG21 VAL 39 -14.394 -14.606 10.125 280 HG22 VAL 39 HG22 VAL 39 -16.099 -14.294 9.801 281 HG23 VAL 39 HG23 VAL 39 -14.865 -13.646 8.719 282 H TRP 40 HN TRP 40 -17.722 -17.577 8.109 283 HA TRP 40 HA TRP 40 -19.987 -15.955 9.027 284 HB2 TRP 40 HB2 TRP 40 -20.392 -16.221 6.677 285 HB3 TRP 40 HB1 TRP 40 -20.014 -17.932 6.745 286 HD1 TRP 40 HD1 TRP 40 -22.780 -15.482 7.919 287 HE1 TRP 40 HE1 TRP 40 -25.014 -16.778 7.936 288 HE3 TRP 40 HE3 TRP 40 -21.028 -20.156 6.798 289 HZ2 TRP 40 HZ2 TRP 40 -25.898 -19.382 7.468 290 HZ3 TRP 40 HZ3 TRP 40 -22.649 -22.002 6.609 291 HH2 TRP 40 HH2 TRP 40 -25.043 -21.612 6.965 292 H MET 41 HN MET 41 -20.957 -16.840 10.745 293 HA MET 41 HA MET 41 -19.886 -19.193 11.934 294 HB2 MET 41 HB2 MET 41 -20.740 -17.230 13.222 295 HB3 MET 41 HB1 MET 41 -22.373 -17.646 12.723 296 HG2 MET 41 HG2 MET 41 -22.113 -19.835 13.868 297 HG3 MET 41 HG1 MET 41 -20.539 -19.300 14.449 298 HE1 MET 41 HE1 MET 41 -20.203 -17.229 16.101 299 HE2 MET 41 HE2 MET 41 -21.533 -16.273 16.754 300 HE3 MET 41 HE3 MET 41 -21.143 -16.179 15.037 301 H ASP 42 HN ASP 42 -20.816 -21.199 12.237 302 HA ASP 42 HA ASP 42 -22.480 -22.155 10.133 303 HB2 ASP 42 HB2 ASP 42 -22.199 -24.317 11.130 304 HB3 ASP 42 HB1 ASP 42 -20.671 -23.466 11.326 305 H GLY 43 HN GLY 43 -24.240 -23.898 11.124 306 HA2 GLY 43 HA2 GLY 43 -26.117 -24.242 12.485 307 HA3 GLY 43 HA1 GLY 43 -25.883 -22.651 13.189 308 H ARG 44 HN ARG 44 -25.720 -21.282 10.610 309 HA ARG 44 HA ARG 44 -28.596 -21.226 10.054 310 HB2 ARG 44 HB2 ARG 44 -26.449 -19.281 9.185 311 HB3 ARG 44 HB1 ARG 44 -28.177 -19.064 8.985 312 HG2 ARG 44 HG2 ARG 44 -27.913 -17.797 10.822 313 HG3 ARG 44 HG1 ARG 44 -28.059 -19.346 11.647 314 HD2 ARG 44 HD2 ARG 44 -25.679 -19.539 11.853 315 HD3 ARG 44 HD1 ARG 44 -25.424 -18.151 10.803 316 HE ARG 44 HE ARG 44 -26.611 -16.857 12.640 317 HH11 ARG 44 HH11 ARG 44 -24.684 -19.713 13.306 318 HH12 ARG 44 HH12 ARG 44 -24.199 -19.162 14.880 319 HH21 ARG 44 HH21 ARG 44 -25.935 -16.128 14.669 320 HH22 ARG 44 HH22 ARG 44 -24.903 -17.122 15.651 321 H SER 45 HN SER 45 -28.781 -20.261 7.588 322 HA SER 45 HA SER 45 -27.154 -21.892 5.761 323 HB2 SER 45 HB2 SER 45 -29.230 -22.340 4.419 324 HB3 SER 45 HB1 SER 45 -29.270 -23.108 6.007 325 HG SER 45 HG SER 45 -30.381 -20.541 5.614 326 H LEU 46 HN LEU 46 -26.175 -20.593 4.421 327 HA LEU 46 HA LEU 46 -26.607 -17.852 4.344 328 HB2 LEU 46 HB2 LEU 46 -25.083 -19.756 2.640 329 HB3 LEU 46 HB1 LEU 46 -25.267 -18.115 2.115 330 HG LEU 46 HG LEU 46 -24.000 -18.969 4.717 331 HD11 LEU 46 HD11 LEU 46 -22.613 -19.516 2.785 332 HD12 LEU 46 HD12 LEU 46 -21.914 -18.198 3.723 333 HD13 LEU 46 HD13 LEU 46 -22.746 -17.858 2.205 334 HD21 LEU 46 HD21 LEU 46 -23.323 -16.623 4.919 335 HD22 LEU 46 HD22 LEU 46 -25.078 -16.792 4.926 336 HD23 LEU 46 HD23 LEU 46 -24.251 -16.228 3.472 337 HA PRO 47 HA PRO 47 -30.160 -17.258 1.723 338 HB2 PRO 47 HB2 PRO 47 -28.727 -14.727 1.086 339 HB3 PRO 47 HB1 PRO 47 -30.369 -14.971 1.684 340 HG2 PRO 47 HG2 PRO 47 -28.384 -14.076 3.272 341 HG3 PRO 47 HG1 PRO 47 -29.692 -15.106 3.880 342 HD2 PRO 47 HD2 PRO 47 -26.848 -15.800 3.325 343 HD3 PRO 47 HD1 PRO 47 -27.976 -16.476 4.512 344 H ALA 48 HN ALA 48 -30.651 -17.001 -0.509 345 HA ALA 48 HA ALA 48 -28.904 -18.237 -2.316 346 HB1 ALA 48 HB1 ALA 48 -31.290 -16.483 -2.921 347 HB2 ALA 48 HB2 ALA 48 -31.334 -18.220 -2.621 348 HB3 ALA 48 HB3 ALA 48 -30.510 -17.593 -4.047 349 H GLY 49 HN GLY 49 -27.226 -17.475 -3.419 350 HA2 GLY 49 HA2 GLY 49 -26.243 -15.694 -4.790 351 HA3 GLY 49 HA1 GLY 49 -26.864 -14.542 -3.612 352 H TRP 50 HN TRP 50 -26.184 -16.308 -1.352 353 HA TRP 50 HA TRP 50 -23.380 -15.577 -1.086 354 HB2 TRP 50 HB2 TRP 50 -25.344 -16.861 0.828 355 HB3 TRP 50 HB1 TRP 50 -23.668 -16.513 1.239 356 HD1 TRP 50 HD1 TRP 50 -26.870 -14.593 0.165 357 HE1 TRP 50 HE1 TRP 50 -26.801 -12.269 1.271 358 HE3 TRP 50 HE3 TRP 50 -22.256 -14.873 2.353 359 HZ2 TRP 50 HZ2 TRP 50 -25.024 -10.758 2.858 360 HZ3 TRP 50 HZ3 TRP 50 -21.445 -12.944 3.648 361 HH2 TRP 50 HH2 TRP 50 -22.802 -10.926 3.894 362 H GLU 51 HN GLU 51 -21.727 -17.083 -0.606 363 HA GLU 51 HA GLU 51 -22.318 -19.904 -1.163 364 HB2 GLU 51 HB2 GLU 51 -20.460 -20.096 -2.691 365 HB3 GLU 51 HB1 GLU 51 -21.511 -18.801 -3.256 366 HG2 GLU 51 HG2 GLU 51 -19.944 -17.220 -2.019 367 HG3 GLU 51 HG1 GLU 51 -18.839 -18.581 -1.904 368 H THR 52 HN THR 52 -20.994 -21.345 -0.190 369 HA THR 52 HA THR 52 -19.284 -20.340 1.985 370 HB THR 52 HB THR 52 -19.541 -22.654 2.943 371 HG1 THR 52 HG1 THR 52 -20.846 -23.016 0.560 372 HG21 THR 52 HG21 THR 52 -20.949 -20.825 3.760 373 HG22 THR 52 HG22 THR 52 -21.840 -22.348 3.754 374 HG23 THR 52 HG23 THR 52 -22.125 -21.150 2.490 375 H VAL 53 HN VAL 53 -17.239 -21.141 2.264 376 HA VAL 53 HA VAL 53 -16.122 -23.169 0.575 377 HB VAL 53 HB VAL 53 -14.211 -21.377 -0.062 378 HG11 VAL 53 HG11 VAL 53 -15.309 -22.875 -1.644 379 HG12 VAL 53 HG12 VAL 53 -15.205 -21.246 -2.313 380 HG13 VAL 53 HG13 VAL 53 -16.734 -21.836 -1.663 381 HG21 VAL 53 HG21 VAL 53 -15.247 -19.294 -0.889 382 HG22 VAL 53 HG22 VAL 53 -15.315 -19.435 0.866 383 HG23 VAL 53 HG23 VAL 53 -16.756 -19.751 -0.099 384 H GLY 54 HN GLY 54 -13.734 -23.390 0.997 385 HA2 GLY 54 HA2 GLY 54 -11.902 -23.353 2.426 386 HA3 GLY 54 HA1 GLY 54 -12.808 -22.338 3.540 387 H GLU 55 HN GLU 55 -12.346 -23.524 5.319 388 HA GLU 55 HA GLU 55 -13.589 -26.180 5.534 389 HB2 GLU 55 HB2 GLU 55 -11.149 -26.432 5.252 390 HB3 GLU 55 HB1 GLU 55 -10.876 -25.325 6.585 391 HG2 GLU 55 HG2 GLU 55 -12.082 -26.988 8.055 392 HG3 GLU 55 HG1 GLU 55 -12.002 -28.110 6.695 393 HA PRO 56 HA PRO 56 -15.484 -23.991 8.902 394 HB2 PRO 56 HB2 PRO 56 -16.686 -26.035 10.186 395 HB3 PRO 56 HB1 PRO 56 -17.253 -25.450 8.622 396 HG2 PRO 56 HG2 PRO 56 -15.509 -27.816 9.241 397 HG3 PRO 56 HG1 PRO 56 -16.903 -27.711 8.143 398 HD2 PRO 56 HD2 PRO 56 -14.355 -27.574 7.254 399 HD3 PRO 56 HD1 PRO 56 -15.668 -26.694 6.475 400 H ALA 57 HN ALA 57 -14.579 -23.199 10.688 401 HA ALA 57 HA ALA 57 -13.241 -24.879 12.638 402 HB1 ALA 57 HB1 ALA 57 -11.487 -24.639 10.928 403 HB2 ALA 57 HB2 ALA 57 -11.042 -23.839 12.436 404 HB3 ALA 57 HB3 ALA 57 -11.601 -22.883 11.063 405 H THR 58 HN THR 58 -12.126 -23.350 14.335 406 HA THR 58 HA THR 58 -14.080 -21.576 15.316 407 HB THR 58 HB THR 58 -12.500 -22.629 16.844 408 HG1 THR 58 HG1 THR 58 -12.643 -20.932 18.098 409 HG21 THR 58 HG21 THR 58 -10.516 -22.665 15.397 410 HG22 THR 58 HG22 THR 58 -10.153 -21.934 16.959 411 HG23 THR 58 HG23 THR 58 -10.378 -20.912 15.540 412 H LYS 59 HN LYS 59 -14.015 -19.305 15.537 413 HA LYS 59 HA LYS 59 -13.710 -17.826 13.277 414 HB2 LYS 59 HB2 LYS 59 -14.936 -16.980 15.164 415 HB3 LYS 59 HB1 LYS 59 -13.494 -16.960 16.166 416 HG2 LYS 59 HG2 LYS 59 -14.095 -14.714 15.513 417 HG3 LYS 59 HG1 LYS 59 -12.558 -15.163 14.775 418 HD2 LYS 59 HD2 LYS 59 -13.697 -15.612 12.656 419 HD3 LYS 59 HD1 LYS 59 -15.250 -15.222 13.399 420 HE2 LYS 59 HE2 LYS 59 -12.927 -13.302 13.130 421 HE3 LYS 59 HE1 LYS 59 -14.320 -13.354 12.050 422 HZ1 LYS 59 HZ1 LYS 59 -15.749 -12.776 13.870 423 HZ2 LYS 59 HZ2 LYS 59 -14.505 -11.637 13.771 424 HZ3 LYS 59 HZ3 LYS 59 -14.466 -12.829 14.971 425 H GLN 60 HN GLN 60 -11.297 -18.299 15.799 426 HA GLN 60 HA GLN 60 -9.373 -16.485 14.895 427 HB2 GLN 60 HB2 GLN 60 -9.102 -19.033 16.498 428 HB3 GLN 60 HB1 GLN 60 -7.743 -17.968 16.172 429 HG2 GLN 60 HG2 GLN 60 -8.654 -17.556 18.382 430 HG3 GLN 60 HG1 GLN 60 -8.866 -16.147 17.348 431 HE21 GLN 60 HE21 GLN 60 -10.472 -18.757 19.007 432 HE22 GLN 60 HE22 GLN 60 -12.073 -18.127 18.866 433 H GLN 61 HN GLN 61 -9.868 -19.893 14.055 434 HA GLN 61 HA GLN 61 -7.509 -20.028 12.425 435 HB2 GLN 61 HB2 GLN 61 -9.867 -21.889 12.749 436 HB3 GLN 61 HB1 GLN 61 -8.529 -22.221 11.653 437 HG2 GLN 61 HG2 GLN 61 -8.274 -21.830 14.636 438 HG3 GLN 61 HG1 GLN 61 -8.303 -23.387 13.809 439 HE21 GLN 61 HE21 GLN 61 -6.215 -22.134 15.468 440 HE22 GLN 61 HE22 GLN 61 -4.794 -22.096 14.484 441 H CYS 62 HN CYS 62 -10.928 -19.447 11.864 442 HA CYS 62 HA CYS 62 -10.895 -19.686 9.053 443 HB2 CYS 62 HB2 CYS 62 -12.748 -18.053 10.803 444 HB3 CYS 62 HB1 CYS 62 -13.052 -18.531 9.134 445 HG CYS 62 HG CYS 62 -14.000 -20.874 9.621 446 H LEU 63 HN LEU 63 -10.514 -16.833 11.182 447 HA LEU 63 HA LEU 63 -10.204 -15.006 9.016 448 HB2 LEU 63 HB2 LEU 63 -9.333 -13.417 10.702 449 HB3 LEU 63 HB1 LEU 63 -10.866 -14.134 11.157 450 HG LEU 63 HG LEU 63 -9.313 -15.787 12.529 451 HD11 LEU 63 HD11 LEU 63 -7.189 -14.910 11.735 452 HD12 LEU 63 HD12 LEU 63 -7.359 -14.652 13.469 453 HD13 LEU 63 HD13 LEU 63 -7.597 -13.309 12.350 454 HD21 LEU 63 HD21 LEU 63 -9.566 -14.328 14.478 455 HD22 LEU 63 HD22 LEU 63 -11.028 -14.357 13.492 456 HD23 LEU 63 HD23 LEU 63 -9.941 -12.971 13.414 457 H GLN 64 HN GLN 64 -7.944 -16.822 11.026 458 HA GLN 64 HA GLN 64 -5.536 -15.833 10.007 459 HB2 GLN 64 HB2 GLN 64 -5.630 -17.226 12.001 460 HB3 GLN 64 HB1 GLN 64 -6.255 -18.580 11.071 461 HG2 GLN 64 HG2 GLN 64 -4.104 -18.641 9.821 462 HG3 GLN 64 HG1 GLN 64 -3.495 -17.379 10.892 463 HE21 GLN 64 HE21 GLN 64 -4.487 -20.708 10.661 464 HE22 GLN 64 HE22 GLN 64 -3.797 -21.235 12.152 465 H ARG 65 HN ARG 65 -7.748 -18.255 8.805 466 HA ARG 65 HA ARG 65 -6.013 -19.516 6.983 467 HB2 ARG 65 HB2 ARG 65 -8.282 -20.287 7.947 468 HB3 ARG 65 HB1 ARG 65 -9.003 -19.359 6.640 469 HG2 ARG 65 HG2 ARG 65 -8.173 -20.782 4.999 470 HG3 ARG 65 HG1 ARG 65 -6.914 -21.430 6.058 471 HD2 ARG 65 HD2 ARG 65 -8.930 -22.287 7.476 472 HD3 ARG 65 HD1 ARG 65 -9.845 -22.053 5.987 473 HE ARG 65 HE ARG 65 -7.945 -23.548 5.022 474 HH11 ARG 65 HH11 ARG 65 -9.392 -23.833 8.191 475 HH12 ARG 65 HH12 ARG 65 -9.197 -25.557 8.282 476 HH21 ARG 65 HH21 ARG 65 -7.686 -25.850 5.135 477 HH22 ARG 65 HH22 ARG 65 -8.249 -26.696 6.545 478 H ILE 66 HN ILE 66 -8.417 -16.925 6.527 479 HA ILE 66 HA ILE 66 -7.859 -16.680 3.723 480 HB ILE 66 HB ILE 66 -9.211 -14.563 3.865 481 HG12 ILE 66 HG12 ILE 66 -9.625 -15.433 6.744 482 HG13 ILE 66 HG11 ILE 66 -8.718 -14.012 6.235 483 HG21 ILE 66 HG21 ILE 66 -11.343 -15.729 4.238 484 HG22 ILE 66 HG22 ILE 66 -10.471 -17.078 4.967 485 HG23 ILE 66 HG23 ILE 66 -10.228 -16.687 3.265 486 HD11 ILE 66 HD11 ILE 66 -10.929 -13.396 6.995 487 HD12 ILE 66 HD12 ILE 66 -11.661 -14.489 5.820 488 HD13 ILE 66 HD13 ILE 66 -10.768 -13.072 5.267 489 H GLU 67 HN GLU 67 -6.718 -15.073 6.632 490 HA GLU 67 HA GLU 67 -5.490 -12.861 5.363 491 HB2 GLU 67 HB2 GLU 67 -4.968 -14.199 8.021 492 HB3 GLU 67 HB1 GLU 67 -4.130 -12.742 7.501 493 HG2 GLU 67 HG2 GLU 67 -7.130 -12.908 7.650 494 HG3 GLU 67 HG1 GLU 67 -6.134 -12.443 9.027 495 H GLN 68 HN GLN 68 -4.170 -15.992 6.429 496 HA GLN 68 HA GLN 68 -1.539 -15.476 5.466 497 HB2 GLN 68 HB2 GLN 68 -2.872 -18.115 6.137 498 HB3 GLN 68 HB1 GLN 68 -1.142 -17.873 5.907 499 HG2 GLN 68 HG2 GLN 68 -2.760 -16.453 8.013 500 HG3 GLN 68 HG1 GLN 68 -1.896 -17.964 8.288 501 HE21 GLN 68 HE21 GLN 68 -0.766 -16.770 9.928 502 HE22 GLN 68 HE22 GLN 68 0.578 -15.778 9.499 503 H LEU 69 HN LEU 69 -4.162 -15.651 3.690 504 HA LEU 69 HA LEU 69 -2.899 -17.025 1.422 505 HB2 LEU 69 HB2 LEU 69 -5.742 -16.071 1.809 506 HB3 LEU 69 HB1 LEU 69 -5.129 -16.738 0.306 507 HG LEU 69 HG LEU 69 -5.313 -18.221 2.939 508 HD11 LEU 69 HD11 LEU 69 -7.505 -17.822 1.956 509 HD12 LEU 69 HD12 LEU 69 -7.063 -19.523 1.829 510 HD13 LEU 69 HD13 LEU 69 -6.950 -18.474 0.415 511 HD21 LEU 69 HD21 LEU 69 -4.480 -19.175 0.197 512 HD22 LEU 69 HD22 LEU 69 -4.717 -20.200 1.615 513 HD23 LEU 69 HD23 LEU 69 -3.429 -18.997 1.602 514 H TRP 70 HN TRP 70 -4.893 -14.121 1.944 515 HA TRP 70 HA TRP 70 -3.748 -12.826 -0.384 516 HB2 TRP 70 HB2 TRP 70 -5.763 -11.793 1.634 517 HB3 TRP 70 HB1 TRP 70 -5.371 -11.043 0.090 518 HD1 TRP 70 HD1 TRP 70 -7.030 -14.261 1.470 519 HE1 TRP 70 HE1 TRP 70 -8.702 -15.106 -0.290 520 HE3 TRP 70 HE3 TRP 70 -6.041 -10.917 -2.276 521 HZ2 TRP 70 HZ2 TRP 70 -9.502 -14.452 -2.904 522 HZ3 TRP 70 HZ3 TRP 70 -7.312 -11.097 -4.376 523 HH2 TRP 70 HH2 TRP 70 -9.007 -12.829 -4.681 524 H THR 71 HN THR 71 -4.059 -12.041 3.064 525 HA THR 71 HA THR 71 -2.267 -9.835 2.980 526 HB THR 71 HB THR 71 -3.230 -11.369 5.410 527 HG1 THR 71 HG1 THR 71 -5.108 -10.399 5.141 528 HG21 THR 71 HG21 THR 71 -2.322 -8.497 5.084 529 HG22 THR 71 HG22 THR 71 -1.415 -9.780 5.885 530 HG23 THR 71 HG23 THR 71 -2.940 -9.221 6.570 531 H ASP 72 HN ASP 72 -1.803 -13.144 2.952 532 HA ASP 72 HA ASP 72 0.212 -13.894 4.562 533 HB2 ASP 72 HB2 ASP 72 -0.633 -15.457 2.994 534 HB3 ASP 72 HB1 ASP 72 -0.153 -14.463 1.635 535 H MET 73 HN MET 73 0.564 -11.978 1.617 536 HA MET 73 HA MET 73 3.387 -11.765 1.637 537 HB2 MET 73 HB2 MET 73 1.279 -9.951 0.415 538 HB3 MET 73 HB1 MET 73 3.005 -9.843 0.085 539 HG2 MET 73 HG2 MET 73 3.020 -11.979 -0.964 540 HG3 MET 73 HG1 MET 73 1.373 -12.314 -0.434 541 HE1 MET 73 HE1 MET 73 3.623 -10.073 -2.771 542 HE2 MET 73 HE2 MET 73 2.700 -8.880 -1.857 543 HE3 MET 73 HE3 MET 73 2.407 -9.086 -3.584 544 H VAL 74 HN VAL 74 3.716 -11.415 3.881 545 HA VAL 74 HA VAL 74 2.842 -8.886 5.031 546 HB VAL 74 HB VAL 74 2.441 -10.827 6.393 547 HG11 VAL 74 HG11 VAL 74 4.080 -12.347 5.464 548 HG12 VAL 74 HG12 VAL 74 4.259 -12.270 7.219 549 HG13 VAL 74 HG13 VAL 74 5.397 -11.411 6.178 550 HG21 VAL 74 HG21 VAL 74 3.076 -8.788 7.590 551 HG22 VAL 74 HG22 VAL 74 4.771 -9.273 7.535 552 HG23 VAL 74 HG23 VAL 74 3.608 -10.228 8.458 553 HA PRO 75 HA PRO 75 6.905 -7.104 4.371 554 HB2 PRO 75 HB2 PRO 75 6.106 -5.022 6.276 555 HB3 PRO 75 HB1 PRO 75 6.414 -4.883 4.543 556 HG2 PRO 75 HG2 PRO 75 3.931 -4.650 5.601 557 HG3 PRO 75 HG1 PRO 75 4.218 -5.320 3.984 558 HD2 PRO 75 HD2 PRO 75 3.682 -6.757 6.566 559 HD3 PRO 75 HD1 PRO 75 3.037 -7.079 4.940 560 H ALA 76 HN ALA 76 8.343 -5.694 6.183 561 HA ALA 76 HA ALA 76 9.621 -7.627 7.709 562 HB1 ALA 76 HB1 ALA 76 9.655 -4.645 8.182 563 HB2 ALA 76 HB2 ALA 76 10.650 -5.508 7.009 564 HB3 ALA 76 HB3 ALA 76 10.863 -5.808 8.735 565 H SER 77 HN SER 77 6.780 -5.867 8.428 566 HA SER 77 HA SER 77 6.594 -5.786 11.156 567 HB2 SER 77 HB2 SER 77 4.840 -4.931 9.693 568 HB3 SER 77 HB1 SER 77 4.450 -6.566 9.161 569 HG SER 77 HG SER 77 4.365 -6.350 11.865 570 H VAL 78 HN VAL 78 6.601 -8.614 9.123 571 HA VAL 78 HA VAL 78 5.365 -10.504 10.739 572 HB VAL 78 HB VAL 78 6.056 -10.959 8.427 573 HG11 VAL 78 HG11 VAL 78 8.214 -9.824 8.417 574 HG12 VAL 78 HG12 VAL 78 8.385 -11.492 7.873 575 HG13 VAL 78 HG13 VAL 78 8.878 -11.045 9.506 576 HG21 VAL 78 HG21 VAL 78 7.260 -12.884 10.424 577 HG22 VAL 78 HG22 VAL 78 6.886 -13.260 8.741 578 HG23 VAL 78 HG23 VAL 78 5.587 -12.860 9.864 579 H ARG 79 HN ARG 79 8.531 -9.060 11.011 580 HA ARG 79 HA ARG 79 9.750 -10.971 12.691 581 HB2 ARG 79 HB2 ARG 79 10.280 -7.994 12.535 582 HB3 ARG 79 HB1 ARG 79 11.352 -9.198 13.245 583 HG2 ARG 79 HG2 ARG 79 11.623 -10.253 11.051 584 HG3 ARG 79 HG1 ARG 79 10.546 -9.045 10.345 585 HD2 ARG 79 HD2 ARG 79 13.218 -8.532 11.655 586 HD3 ARG 79 HD1 ARG 79 12.859 -8.441 9.932 587 HE ARG 79 HE ARG 79 11.207 -6.689 11.487 588 HH11 ARG 79 HH11 ARG 79 14.346 -7.019 9.964 589 HH12 ARG 79 HH12 ARG 79 14.616 -5.305 9.875 590 HH21 ARG 79 HH21 ARG 79 11.571 -4.424 11.362 591 HH22 ARG 79 HH22 ARG 79 13.046 -3.843 10.648 592 H GLU 80 HN GLU 80 7.565 -8.320 13.324 593 HA GLU 80 HA GLU 80 7.992 -8.052 16.095 594 HB2 GLU 80 HB2 GLU 80 5.489 -7.536 14.468 595 HB3 GLU 80 HB1 GLU 80 5.746 -6.985 16.119 596 HG2 GLU 80 HG2 GLU 80 7.417 -6.179 13.741 597 HG3 GLU 80 HG1 GLU 80 6.118 -5.221 14.446 598 H HIS 81 HN HIS 81 6.130 -10.315 14.209 599 HA HIS 81 HA HIS 81 4.819 -11.477 16.532 600 HB2 HIS 81 HB2 HIS 81 3.814 -11.298 14.167 601 HB3 HIS 81 HB1 HIS 81 4.881 -12.629 13.740 602 HD1 HIS 81 HD1 HIS 81 4.539 -14.618 15.928 603 HD2 HIS 81 HD2 HIS 81 1.368 -12.325 14.534 604 HE1 HIS 81 HE1 HIS 81 2.464 -15.909 16.512 605 HE2 HIS 81 HE2 HIS 81 0.596 -14.620 15.418 606 H LEU 82 HN LEU 82 7.660 -11.867 14.660 607 HA LEU 82 HA LEU 82 8.219 -14.578 15.496 608 HB2 LEU 82 HB2 LEU 82 8.971 -13.272 13.328 609 HB3 LEU 82 HB1 LEU 82 10.268 -12.697 14.348 610 HG LEU 82 HG LEU 82 10.855 -14.653 12.895 611 HD11 LEU 82 HD11 LEU 82 12.056 -15.916 14.606 612 HD12 LEU 82 HD12 LEU 82 11.077 -15.157 15.859 613 HD13 LEU 82 HD13 LEU 82 12.176 -14.180 14.887 614 HD21 LEU 82 HD21 LEU 82 8.713 -15.824 13.018 615 HD22 LEU 82 HD22 LEU 82 8.992 -16.159 14.728 616 HD23 LEU 82 HD23 LEU 82 10.047 -16.870 13.507 617 H ASN 83 HN ASN 83 8.686 -11.375 16.642 618 HA ASN 83 HA ASN 83 10.890 -11.754 18.357 619 HB2 ASN 83 HB2 ASN 83 8.601 -9.783 18.389 620 HB3 ASN 83 HB1 ASN 83 9.844 -9.775 19.635 621 HD21 ASN 83 HD21 ASN 83 9.137 -7.760 17.627 622 HD22 ASN 83 HD22 ASN 83 10.591 -7.443 16.751 623 H GLN 84 HN GLN 84 10.445 -13.856 19.220 624 HA GLN 84 HA GLN 84 8.405 -14.167 21.228 625 HB2 GLN 84 HB2 GLN 84 10.899 -15.793 20.648 626 HB3 GLN 84 HB1 GLN 84 9.641 -16.259 21.785 627 HG2 GLN 84 HG2 GLN 84 8.027 -16.424 19.985 628 HG3 GLN 84 HG1 GLN 84 9.232 -15.865 18.825 629 HE21 GLN 84 HE21 GLN 84 8.232 -18.505 20.874 630 HE22 GLN 84 HE22 GLN 84 9.211 -19.718 20.124 631 H HIS 85 HN HIS 85 11.277 -12.517 21.039 632 HA HIS 85 HA HIS 85 11.888 -12.679 23.889 633 HB2 HIS 85 HB2 HIS 85 13.867 -11.320 23.348 634 HB3 HIS 85 HB1 HIS 85 13.793 -12.757 22.338 635 HD1 HIS 85 HD1 HIS 85 13.876 -9.066 22.192 636 HD2 HIS 85 HD2 HIS 85 13.116 -12.228 19.596 637 HE1 HIS 85 HE1 HIS 85 13.972 -8.084 19.879 638 HE2 HIS 85 HE2 HIS 85 13.322 -9.972 18.345 639 H SER 86 HN SER 86 11.265 -11.174 25.303 640 HA SER 86 HA SER 86 10.434 -9.280 26.226 641 HB2 SER 86 HB2 SER 86 11.033 -8.002 23.542 642 HB3 SER 86 HB1 SER 86 10.635 -7.135 25.026 643 HG SER 86 HG SER 86 12.540 -7.781 25.926 644 H GLY 87 HN GLY 87 8.884 -11.098 24.153 645 HA2 GLY 87 HA2 GLY 87 6.316 -10.273 24.795 646 HA3 GLY 87 HA1 GLY 87 6.697 -9.519 23.253 647 HA PRO 88 HA PRO 88 5.572 -13.940 22.315 648 HB2 PRO 88 HB2 PRO 88 2.971 -14.259 22.806 649 HB3 PRO 88 HB1 PRO 88 4.145 -14.314 24.126 650 HG2 PRO 88 HG2 PRO 88 2.210 -12.176 23.416 651 HG3 PRO 88 HG1 PRO 88 2.885 -12.606 24.996 652 HD2 PRO 88 HD2 PRO 88 3.762 -10.525 23.210 653 HD3 PRO 88 HD1 PRO 88 4.453 -10.974 24.784 654 H GLY 89 HN GLY 89 5.122 -11.080 21.024 655 HA2 GLY 89 HA2 GLY 89 4.431 -10.272 18.987 656 HA3 GLY 89 HA1 GLY 89 4.301 -11.946 18.474 657 H ILE 90 HN ILE 90 2.569 -9.608 20.532 658 HA ILE 90 HA ILE 90 0.122 -11.075 20.380 659 HB ILE 90 HB ILE 90 0.598 -8.265 21.398 660 HG12 ILE 90 HG12 ILE 90 0.456 -10.913 22.870 661 HG13 ILE 90 HG11 ILE 90 1.907 -9.950 22.620 662 HG21 ILE 90 HG21 ILE 90 -1.757 -8.642 20.852 663 HG22 ILE 90 HG22 ILE 90 -1.529 -8.546 22.598 664 HG23 ILE 90 HG23 ILE 90 -1.758 -10.113 21.825 665 HD11 ILE 90 HD11 ILE 90 0.974 -8.166 23.993 666 HD12 ILE 90 HD12 ILE 90 1.043 -9.692 24.876 667 HD13 ILE 90 HD13 ILE 90 -0.493 -9.116 24.234 668 H ASP 91 HN ASP 91 -0.400 -11.219 18.180 669 HA ASP 91 HA ASP 91 -1.947 -10.771 16.600 670 HB2 ASP 91 HB2 ASP 91 -3.276 -9.983 18.541 671 HB3 ASP 91 HB1 ASP 91 -2.643 -8.361 18.289 672 H TYR 92 HN TYR 92 0.717 -9.033 16.890 673 HA TYR 92 HA TYR 92 0.009 -7.069 14.825 674 HB2 TYR 92 HB2 TYR 92 1.158 -6.261 16.920 675 HB3 TYR 92 HB1 TYR 92 2.591 -7.143 16.394 676 HD1 TYR 92 HD2 TYR 92 0.405 -4.266 15.709 677 HD2 TYR 92 HD1 TYR 92 3.916 -6.354 14.503 678 HE1 TYR 92 HE2 TYR 92 1.057 -2.357 14.309 679 HE2 TYR 92 HE1 TYR 92 4.571 -4.446 13.100 680 HH TYR 92 HH TYR 92 3.408 -2.530 11.942 681 H ALA 93 HN ALA 93 -0.041 -8.391 13.090 682 HA ALA 93 HA ALA 93 2.050 -8.506 11.358 683 HB1 ALA 93 HB1 ALA 93 1.842 -11.157 12.814 684 HB2 ALA 93 HB2 ALA 93 3.222 -10.060 12.857 685 HB3 ALA 93 HB3 ALA 93 2.783 -10.864 11.350 686 H VAL 94 HN VAL 94 1.578 -10.692 9.787 687 HA VAL 94 HA VAL 94 -1.164 -10.481 9.034 688 HB VAL 94 HB VAL 94 0.512 -11.034 7.330 689 HG11 VAL 94 HG11 VAL 94 2.075 -12.350 8.637 690 HG12 VAL 94 HG12 VAL 94 1.540 -13.271 7.227 691 HG13 VAL 94 HG13 VAL 94 0.879 -13.637 8.823 692 HG21 VAL 94 HG21 VAL 94 -1.459 -13.292 7.745 693 HG22 VAL 94 HG22 VAL 94 -0.680 -12.862 6.222 694 HG23 VAL 94 HG23 VAL 94 -1.810 -11.743 6.982 695 H ARG 95 HN ARG 95 -2.853 -11.686 9.657 696 HA ARG 95 HA ARG 95 -2.713 -13.086 12.106 697 HB2 ARG 95 HB2 ARG 95 -4.949 -12.905 10.069 698 HB3 ARG 95 HB1 ARG 95 -5.133 -13.534 11.698 699 HG2 ARG 95 HG2 ARG 95 -4.074 -10.766 11.266 700 HG3 ARG 95 HG1 ARG 95 -5.809 -11.086 11.198 701 HD2 ARG 95 HD2 ARG 95 -5.866 -11.815 13.439 702 HD3 ARG 95 HD1 ARG 95 -4.115 -11.978 13.520 703 HE ARG 95 HE ARG 95 -4.170 -9.891 14.389 704 HH11 ARG 95 HH11 ARG 95 -6.646 -9.941 11.865 705 HH12 ARG 95 HH12 ARG 95 -7.045 -8.274 12.085 706 HH21 ARG 95 HH21 ARG 95 -4.754 -7.734 14.681 707 HH22 ARG 95 HH22 ARG 95 -5.969 -7.021 13.666 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.269 -50.418 5.197 2 H2 MET 1 HT2 MET 1 -5.240 -51.027 4.008 3 H3 MET 1 HT3 MET 1 -6.906 -51.260 3.874 4 HA MET 1 HA MET 1 -6.142 -49.531 2.376 5 HB2 MET 1 HB2 MET 1 -7.809 -48.508 4.696 6 HB3 MET 1 HB1 MET 1 -7.710 -47.747 3.114 7 HG2 MET 1 HG2 MET 1 -9.751 -49.059 3.370 8 HG3 MET 1 HG1 MET 1 -8.723 -49.691 2.082 9 HE1 MET 1 HE1 MET 1 -11.152 -51.321 3.395 10 HE2 MET 1 HE2 MET 1 -10.416 -52.916 3.531 11 HE3 MET 1 HE3 MET 1 -10.140 -51.938 2.090 12 H ALA 2 HN ALA 2 -5.905 -46.946 2.636 13 HA ALA 2 HA ALA 2 -4.738 -45.124 3.296 14 HB1 ALA 2 HB1 ALA 2 -4.133 -46.696 5.799 15 HB2 ALA 2 HB2 ALA 2 -5.503 -45.612 5.556 16 HB3 ALA 2 HB3 ALA 2 -3.861 -44.969 5.570 17 H HIS 3 HN HIS 3 -3.465 -47.642 2.031 18 HA HIS 3 HA HIS 3 -0.650 -47.138 2.676 19 HB2 HIS 3 HB2 HIS 3 -2.019 -49.265 1.021 20 HB3 HIS 3 HB1 HIS 3 -0.270 -49.049 1.014 21 HD1 HIS 3 HD1 HIS 3 0.941 -49.389 3.374 22 HD2 HIS 3 HD2 HIS 3 -2.996 -50.697 3.154 23 HE1 HIS 3 HE1 HIS 3 0.631 -50.918 5.334 24 HE2 HIS 3 HE2 HIS 3 -1.801 -51.568 5.275 25 H HIS 4 HN HIS 4 -2.841 -45.669 0.878 26 HA HIS 4 HA HIS 4 -0.791 -44.672 -0.971 27 HB2 HIS 4 HB2 HIS 4 -2.260 -46.000 -2.365 28 HB3 HIS 4 HB1 HIS 4 -3.688 -45.256 -1.654 29 HD1 HIS 4 HD1 HIS 4 -0.656 -44.162 -3.704 30 HD2 HIS 4 HD2 HIS 4 -4.649 -43.173 -3.103 31 HE1 HIS 4 HE1 HIS 4 -1.161 -42.354 -5.371 32 HE2 HIS 4 HE2 HIS 4 -3.629 -41.919 -5.121 33 H HIS 5 HN HIS 5 -0.332 -42.775 -0.090 34 HA HIS 5 HA HIS 5 -2.178 -41.225 1.423 35 HB2 HIS 5 HB2 HIS 5 0.509 -40.453 0.244 36 HB3 HIS 5 HB1 HIS 5 -0.389 -39.501 1.421 37 HD1 HIS 5 HD1 HIS 5 2.090 -39.976 2.633 38 HD2 HIS 5 HD2 HIS 5 -0.683 -43.073 2.525 39 HE1 HIS 5 HE1 HIS 5 2.828 -41.608 4.396 40 HE2 HIS 5 HE2 HIS 5 1.103 -43.440 4.352 41 H HIS 6 HN HIS 6 -2.994 -39.128 0.919 42 HA HIS 6 HA HIS 6 -4.335 -39.002 -1.543 43 HB2 HIS 6 HB2 HIS 6 -3.780 -36.659 0.300 44 HB3 HIS 6 HB1 HIS 6 -5.102 -36.808 -0.852 45 HD1 HIS 6 HD1 HIS 6 -4.253 -37.361 2.623 46 HD2 HIS 6 HD2 HIS 6 -7.011 -38.909 -0.074 47 HE1 HIS 6 HE1 HIS 6 -5.995 -38.512 4.025 48 HE2 HIS 6 HE2 HIS 6 -7.582 -39.546 2.365 49 H HIS 7 HN HIS 7 -1.513 -37.231 -0.352 50 HA HIS 7 HA HIS 7 0.243 -36.239 -1.397 51 HB2 HIS 7 HB2 HIS 7 0.083 -38.541 -2.637 52 HB3 HIS 7 HB1 HIS 7 -0.517 -37.583 -3.985 53 HD1 HIS 7 HD1 HIS 7 2.530 -38.797 -2.501 54 HD2 HIS 7 HD2 HIS 7 1.450 -35.491 -4.779 55 HE1 HIS 7 HE1 HIS 7 4.680 -37.881 -3.430 56 HE2 HIS 7 HE2 HIS 7 4.013 -35.769 -4.631 57 H HIS 8 HN HIS 8 -2.497 -35.055 -1.495 58 HA HIS 8 HA HIS 8 -2.053 -33.222 -3.772 59 HB2 HIS 8 HB2 HIS 8 -4.632 -34.311 -2.659 60 HB3 HIS 8 HB1 HIS 8 -4.602 -32.780 -3.526 61 HD1 HIS 8 HD1 HIS 8 -3.929 -32.887 -6.075 62 HD2 HIS 8 HD2 HIS 8 -4.532 -36.572 -4.249 63 HE1 HIS 8 HE1 HIS 8 -4.187 -34.535 -7.953 64 HE2 HIS 8 HE2 HIS 8 -4.746 -36.714 -6.820 65 H MET 9 HN MET 9 -1.537 -31.242 -3.181 66 HA MET 9 HA MET 9 -1.943 -30.296 -0.476 67 HB2 MET 9 HB2 MET 9 0.098 -29.689 -1.716 68 HB3 MET 9 HB1 MET 9 -0.873 -28.885 -2.942 69 HG2 MET 9 HG2 MET 9 -1.637 -27.263 -1.282 70 HG3 MET 9 HG1 MET 9 -0.672 -28.069 -0.046 71 HE1 MET 9 HE1 MET 9 1.969 -28.809 -1.729 72 HE2 MET 9 HE2 MET 9 1.993 -28.158 -0.090 73 HE3 MET 9 HE3 MET 9 2.977 -27.414 -1.351 74 H GLY 10 HN GLY 10 -3.236 -29.701 -3.698 75 HA2 GLY 10 HA2 GLY 10 -5.380 -29.018 -4.268 76 HA3 GLY 10 HA1 GLY 10 -5.718 -28.726 -2.568 77 H THR 11 HN THR 11 -6.605 -26.952 -4.418 78 HA THR 11 HA THR 11 -4.799 -24.703 -4.604 79 HB THR 11 HB THR 11 -6.885 -23.525 -5.468 80 HG1 THR 11 HG1 THR 11 -8.682 -24.864 -5.902 81 HG21 THR 11 HG21 THR 11 -5.264 -24.566 -7.000 82 HG22 THR 11 HG22 THR 11 -6.910 -24.726 -7.608 83 HG23 THR 11 HG23 THR 11 -6.113 -26.108 -6.855 84 H LEU 12 HN LEU 12 -7.897 -25.334 -3.032 85 HA LEU 12 HA LEU 12 -7.269 -23.372 -0.942 86 HB2 LEU 12 HB2 LEU 12 -9.569 -23.295 -0.407 87 HB3 LEU 12 HB1 LEU 12 -9.497 -23.271 -2.154 88 HG LEU 12 HG LEU 12 -10.226 -25.671 -0.453 89 HD11 LEU 12 HD11 LEU 12 -11.921 -23.900 -0.418 90 HD12 LEU 12 HD12 LEU 12 -12.487 -25.334 -1.276 91 HD13 LEU 12 HD13 LEU 12 -11.964 -23.912 -2.182 92 HD21 LEU 12 HD21 LEU 12 -9.256 -26.523 -2.449 93 HD22 LEU 12 HD22 LEU 12 -10.097 -25.337 -3.449 94 HD23 LEU 12 HD23 LEU 12 -11.003 -26.624 -2.654 95 H GLU 13 HN GLU 13 -7.920 -24.090 1.323 96 HA GLU 13 HA GLU 13 -7.509 -25.413 3.110 97 HB2 GLU 13 HB2 GLU 13 -8.509 -27.403 1.104 98 HB3 GLU 13 HB1 GLU 13 -7.828 -28.001 2.612 99 HG2 GLU 13 HG2 GLU 13 -10.333 -27.696 2.572 100 HG3 GLU 13 HG1 GLU 13 -9.484 -26.937 3.908 101 H ALA 14 HN ALA 14 -5.365 -24.697 1.247 102 HA ALA 14 HA ALA 14 -3.450 -26.882 1.465 103 HB1 ALA 14 HB1 ALA 14 -3.541 -25.597 -0.616 104 HB2 ALA 14 HB2 ALA 14 -1.970 -25.412 0.167 105 HB3 ALA 14 HB3 ALA 14 -3.164 -24.119 0.271 106 H GLN 15 HN GLN 15 -4.307 -25.978 3.950 107 HA GLN 15 HA GLN 15 -1.924 -24.593 4.997 108 HB2 GLN 15 HB2 GLN 15 -4.790 -24.078 5.831 109 HB3 GLN 15 HB1 GLN 15 -3.369 -23.382 6.596 110 HG2 GLN 15 HG2 GLN 15 -2.819 -22.250 4.472 111 HG3 GLN 15 HG1 GLN 15 -4.297 -22.897 3.766 112 HE21 GLN 15 HE21 GLN 15 -3.466 -20.115 4.238 113 HE22 GLN 15 HE22 GLN 15 -4.733 -19.414 5.181 114 H THR 16 HN THR 16 -0.944 -25.761 6.508 115 HA THR 16 HA THR 16 -2.160 -28.066 7.691 116 HB THR 16 HB THR 16 0.466 -26.755 8.463 117 HG1 THR 16 HG1 THR 16 1.316 -28.404 6.974 118 HG21 THR 16 HG21 THR 16 1.086 -29.003 9.216 119 HG22 THR 16 HG22 THR 16 -0.501 -29.611 8.747 120 HG23 THR 16 HG23 THR 16 -0.357 -28.442 10.060 121 H GLN 17 HN GLN 17 -3.989 -26.924 8.689 122 HA GLN 17 HA GLN 17 -3.360 -25.340 11.064 123 HB2 GLN 17 HB2 GLN 17 -6.027 -26.084 9.831 124 HB3 GLN 17 HB1 GLN 17 -5.826 -25.064 11.250 125 HG2 GLN 17 HG2 GLN 17 -4.490 -23.493 9.828 126 HG3 GLN 17 HG1 GLN 17 -4.941 -24.467 8.430 127 HE21 GLN 17 HE21 GLN 17 -5.525 -21.676 9.031 128 HE22 GLN 17 HE22 GLN 17 -7.245 -21.523 9.021 129 H GLY 18 HN GLY 18 -3.115 -26.274 12.980 130 HA2 GLY 18 HA2 GLY 18 -3.815 -29.053 13.390 131 HA3 GLY 18 HA1 GLY 18 -2.999 -27.995 14.534 132 HA PRO 19 HA PRO 19 -7.703 -28.174 15.334 133 HB2 PRO 19 HB2 PRO 19 -8.306 -30.597 16.278 134 HB3 PRO 19 HB1 PRO 19 -8.145 -30.316 14.538 135 HG2 PRO 19 HG2 PRO 19 -6.192 -31.556 16.444 136 HG3 PRO 19 HG1 PRO 19 -6.612 -32.051 14.794 137 HD2 PRO 19 HD2 PRO 19 -4.385 -30.533 15.488 138 HD3 PRO 19 HD1 PRO 19 -5.103 -30.605 13.866 139 H GLY 20 HN GLY 20 -5.143 -27.773 16.990 140 HA2 GLY 20 HA2 GLY 20 -5.597 -28.766 19.609 141 HA3 GLY 20 HA1 GLY 20 -4.497 -27.469 19.171 142 H SER 21 HN SER 21 -7.133 -26.250 17.919 143 HA SER 21 HA SER 21 -8.305 -25.259 20.434 144 HB2 SER 21 HB2 SER 21 -7.594 -23.581 18.005 145 HB3 SER 21 HB1 SER 21 -8.378 -22.991 19.471 146 HG SER 21 HG SER 21 -6.209 -24.242 20.258 147 H MET 22 HN MET 22 -9.221 -27.339 18.651 148 HA MET 22 HA MET 22 -11.355 -26.244 17.035 149 HB2 MET 22 HB2 MET 22 -10.132 -28.362 16.510 150 HB3 MET 22 HB1 MET 22 -10.916 -29.093 17.896 151 HG2 MET 22 HG2 MET 22 -12.097 -29.763 15.940 152 HG3 MET 22 HG1 MET 22 -13.112 -28.618 16.816 153 HE1 MET 22 HE1 MET 22 -13.522 -29.493 13.740 154 HE2 MET 22 HE2 MET 22 -13.919 -27.937 13.013 155 HE3 MET 22 HE3 MET 22 -14.600 -28.375 14.579 156 H ASP 23 HN ASP 23 -12.523 -25.094 18.508 157 HA ASP 23 HA ASP 23 -13.773 -26.514 20.752 158 HB2 ASP 23 HB2 ASP 23 -14.270 -24.317 21.708 159 HB3 ASP 23 HB1 ASP 23 -12.556 -24.483 21.362 160 H ASP 24 HN ASP 24 -15.935 -24.747 21.146 161 HA ASP 24 HA ASP 24 -17.875 -26.251 19.810 162 HB2 ASP 24 HB2 ASP 24 -18.101 -23.691 21.405 163 HB3 ASP 24 HB1 ASP 24 -19.445 -24.726 20.965 164 H GLU 25 HN GLU 25 -16.613 -23.008 19.153 165 HA GLU 25 HA GLU 25 -18.943 -22.392 17.503 166 HB2 GLU 25 HB2 GLU 25 -16.588 -20.637 18.229 167 HB3 GLU 25 HB1 GLU 25 -18.079 -20.110 17.453 168 HG2 GLU 25 HG2 GLU 25 -19.334 -20.799 19.469 169 HG3 GLU 25 HG1 GLU 25 -17.810 -21.232 20.244 170 H LEU 26 HN LEU 26 -18.687 -23.619 15.669 171 HA LEU 26 HA LEU 26 -16.249 -23.340 14.106 172 HB2 LEU 26 HB2 LEU 26 -18.734 -24.997 13.729 173 HB3 LEU 26 HB1 LEU 26 -17.523 -24.847 12.476 174 HG LEU 26 HG LEU 26 -15.833 -25.750 14.121 175 HD11 LEU 26 HD11 LEU 26 -18.302 -26.436 15.717 176 HD12 LEU 26 HD12 LEU 26 -17.046 -25.291 16.185 177 HD13 LEU 26 HD13 LEU 26 -16.664 -27.005 16.045 178 HD21 LEU 26 HD21 LEU 26 -16.562 -28.087 13.838 179 HD22 LEU 26 HD22 LEU 26 -16.720 -27.133 12.362 180 HD23 LEU 26 HD23 LEU 26 -18.152 -27.511 13.324 181 H TYR 27 HN TYR 27 -16.087 -22.393 12.176 182 HA TYR 27 HA TYR 27 -18.333 -20.843 11.099 183 HB2 TYR 27 HB2 TYR 27 -15.546 -19.886 11.776 184 HB3 TYR 27 HB1 TYR 27 -16.485 -19.097 10.519 185 HD1 TYR 27 HD1 TYR 27 -16.966 -20.201 14.079 186 HD2 TYR 27 HD2 TYR 27 -17.601 -17.191 11.138 187 HE1 TYR 27 HE1 TYR 27 -18.007 -18.766 15.781 188 HE2 TYR 27 HE2 TYR 27 -18.646 -15.752 12.827 189 HH TYR 27 HH TYR 27 -19.779 -15.968 14.997 190 H PHE 28 HN PHE 28 -18.135 -20.416 8.859 191 HA PHE 28 HA PHE 28 -16.099 -21.969 7.396 192 HB2 PHE 28 HB2 PHE 28 -18.985 -21.480 6.891 193 HB3 PHE 28 HB1 PHE 28 -17.946 -21.314 5.482 194 HD1 PHE 28 HD1 PHE 28 -15.994 -23.350 5.674 195 HD2 PHE 28 HD2 PHE 28 -20.077 -23.494 6.832 196 HE1 PHE 28 HE1 PHE 28 -16.003 -25.789 5.367 197 HE2 PHE 28 HE2 PHE 28 -20.073 -25.943 6.539 198 HZ PHE 28 HZ PHE 28 -18.042 -27.080 5.785 199 H VAL 29 HN VAL 29 -15.455 -20.943 5.317 200 HA VAL 29 HA VAL 29 -15.217 -18.031 5.552 201 HB VAL 29 HB VAL 29 -14.021 -19.999 3.579 202 HG11 VAL 29 HG11 VAL 29 -14.307 -17.850 2.511 203 HG12 VAL 29 HG12 VAL 29 -12.600 -18.146 2.829 204 HG13 VAL 29 HG13 VAL 29 -13.508 -17.041 3.863 205 HG21 VAL 29 HG21 VAL 29 -12.770 -18.542 5.906 206 HG22 VAL 29 HG22 VAL 29 -11.888 -19.511 4.727 207 HG23 VAL 29 HG23 VAL 29 -13.072 -20.278 5.785 208 H VAL 30 HN VAL 30 -16.372 -16.654 4.174 209 HA VAL 30 HA VAL 30 -17.992 -17.879 2.058 210 HB VAL 30 HB VAL 30 -19.993 -16.711 2.729 211 HG11 VAL 30 HG11 VAL 30 -19.702 -18.934 3.618 212 HG12 VAL 30 HG12 VAL 30 -20.495 -17.923 4.826 213 HG13 VAL 30 HG13 VAL 30 -18.781 -18.306 4.985 214 HG21 VAL 30 HG21 VAL 30 -18.957 -14.736 3.752 215 HG22 VAL 30 HG22 VAL 30 -18.433 -15.715 5.124 216 HG23 VAL 30 HG23 VAL 30 -20.153 -15.466 4.821 217 H ARG 31 HN ARG 31 -18.907 -16.349 0.560 218 HA ARG 31 HA ARG 31 -18.241 -13.559 0.657 219 HB2 ARG 31 HB2 ARG 31 -16.725 -13.505 -1.290 220 HB3 ARG 31 HB1 ARG 31 -16.014 -14.410 0.045 221 HG2 ARG 31 HG2 ARG 31 -16.641 -16.507 -1.008 222 HG3 ARG 31 HG1 ARG 31 -17.426 -15.632 -2.321 223 HD2 ARG 31 HD2 ARG 31 -15.276 -14.692 -2.996 224 HD3 ARG 31 HD1 ARG 31 -14.480 -15.537 -1.662 225 HE ARG 31 HE ARG 31 -15.862 -17.441 -3.131 226 HH11 ARG 31 HH11 ARG 31 -13.200 -15.235 -3.679 227 HH12 ARG 31 HH12 ARG 31 -12.424 -16.277 -4.826 228 HH21 ARG 31 HH21 ARG 31 -14.866 -18.787 -4.622 229 HH22 ARG 31 HH22 ARG 31 -13.395 -18.283 -5.399 230 H ASN 32 HN ASN 32 -18.991 -12.408 -1.325 231 HA ASN 32 HA ASN 32 -20.006 -13.956 -3.533 232 HB2 ASN 32 HB2 ASN 32 -22.307 -13.257 -3.459 233 HB3 ASN 32 HB1 ASN 32 -21.937 -13.970 -1.894 234 HD21 ASN 32 HD21 ASN 32 -22.694 -11.053 -3.610 235 HD22 ASN 32 HD22 ASN 32 -22.952 -10.054 -2.222 236 H ASN 33 HN ASN 33 -19.920 -12.800 -5.385 237 HA ASN 33 HA ASN 33 -19.442 -11.133 -6.851 238 HB2 ASN 33 HB2 ASN 33 -21.796 -10.722 -6.400 239 HB3 ASN 33 HB1 ASN 33 -21.390 -9.715 -5.016 240 HD21 ASN 33 HD21 ASN 33 -20.741 -7.610 -5.347 241 HD22 ASN 33 HD22 ASN 33 -20.820 -6.829 -6.888 242 H GLU 34 HN GLU 34 -17.891 -10.972 -4.032 243 HA GLU 34 HA GLU 34 -17.276 -8.101 -4.126 244 HB2 GLU 34 HB2 GLU 34 -16.678 -8.284 -1.776 245 HB3 GLU 34 HB1 GLU 34 -18.299 -8.915 -2.056 246 HG2 GLU 34 HG2 GLU 34 -17.267 -11.220 -2.100 247 HG3 GLU 34 HG1 GLU 34 -15.775 -10.472 -1.525 248 H GLY 35 HN GLY 35 -15.827 -11.255 -4.367 249 HA2 GLY 35 HA2 GLY 35 -13.787 -11.735 -5.376 250 HA3 GLY 35 HA1 GLY 35 -13.370 -10.030 -5.314 251 H GLN 36 HN GLN 36 -14.095 -10.074 -2.353 252 HA GLN 36 HA GLN 36 -11.531 -11.160 -1.423 253 HB2 GLN 36 HB2 GLN 36 -11.793 -9.753 0.547 254 HB3 GLN 36 HB1 GLN 36 -11.934 -8.784 -0.914 255 HG2 GLN 36 HG2 GLN 36 -14.264 -8.537 -0.647 256 HG3 GLN 36 HG1 GLN 36 -14.341 -9.821 0.558 257 HE21 GLN 36 HE21 GLN 36 -13.686 -9.397 2.674 258 HE22 GLN 36 HE22 GLN 36 -13.461 -7.789 3.268 259 H TYR 37 HN TYR 37 -11.710 -11.883 0.996 260 HA TYR 37 HA TYR 37 -13.866 -13.878 1.094 261 HB2 TYR 37 HB2 TYR 37 -11.028 -13.877 2.078 262 HB3 TYR 37 HB1 TYR 37 -12.217 -14.943 2.819 263 HD1 TYR 37 HD2 TYR 37 -13.692 -16.266 1.086 264 HD2 TYR 37 HD1 TYR 37 -9.793 -14.754 0.289 265 HE1 TYR 37 HE2 TYR 37 -13.420 -17.927 -0.720 266 HE2 TYR 37 HE1 TYR 37 -9.510 -16.406 -1.516 267 HH TYR 37 HH TYR 37 -12.123 -18.266 -2.733 268 H SER 38 HN SER 38 -14.923 -14.329 3.023 269 HA SER 38 HA SER 38 -14.282 -12.763 5.378 270 HB2 SER 38 HB2 SER 38 -16.732 -12.239 5.741 271 HB3 SER 38 HB1 SER 38 -15.997 -11.375 4.393 272 HG SER 38 HG SER 38 -16.856 -13.370 3.181 273 H VAL 39 HN VAL 39 -16.058 -13.616 7.178 274 HA VAL 39 HA VAL 39 -16.179 -16.544 6.869 275 HB VAL 39 HB VAL 39 -15.726 -16.736 9.341 276 HG11 VAL 39 HG11 VAL 39 -14.022 -17.247 7.634 277 HG12 VAL 39 HG12 VAL 39 -13.298 -16.572 9.096 278 HG13 VAL 39 HG13 VAL 39 -13.494 -15.562 7.664 279 HG21 VAL 39 HG21 VAL 39 -14.559 -14.871 10.444 280 HG22 VAL 39 HG22 VAL 39 -16.204 -14.425 9.989 281 HG23 VAL 39 HG23 VAL 39 -14.839 -13.858 9.026 282 H TRP 40 HN TRP 40 -17.736 -17.597 8.296 283 HA TRP 40 HA TRP 40 -20.032 -15.994 9.101 284 HB2 TRP 40 HB2 TRP 40 -20.372 -16.204 6.721 285 HB3 TRP 40 HB1 TRP 40 -20.016 -17.921 6.771 286 HD1 TRP 40 HD1 TRP 40 -22.767 -15.502 8.075 287 HE1 TRP 40 HE1 TRP 40 -25.013 -16.763 7.975 288 HE3 TRP 40 HE3 TRP 40 -21.056 -20.067 6.551 289 HZ2 TRP 40 HZ2 TRP 40 -25.929 -19.330 7.291 290 HZ3 TRP 40 HZ3 TRP 40 -22.684 -21.878 6.190 291 HH2 TRP 40 HH2 TRP 40 -25.073 -21.520 6.561 292 H MET 41 HN MET 41 -21.412 -17.125 10.490 293 HA MET 41 HA MET 41 -20.086 -19.288 11.861 294 HB2 MET 41 HB2 MET 41 -21.131 -17.414 13.084 295 HB3 MET 41 HB1 MET 41 -22.708 -17.914 12.490 296 HG2 MET 41 HG2 MET 41 -22.517 -20.019 13.693 297 HG3 MET 41 HG1 MET 41 -20.908 -19.560 14.260 298 HE1 MET 41 HE1 MET 41 -23.040 -20.523 16.303 299 HE2 MET 41 HE2 MET 41 -22.946 -19.290 17.562 300 HE3 MET 41 HE3 MET 41 -21.471 -19.893 16.804 301 H ASP 42 HN ASP 42 -20.559 -21.382 11.812 302 HA ASP 42 HA ASP 42 -22.337 -22.507 9.927 303 HB2 ASP 42 HB2 ASP 42 -20.445 -23.806 10.596 304 HB3 ASP 42 HB1 ASP 42 -20.864 -23.667 12.300 305 H GLY 43 HN GLY 43 -24.280 -23.680 10.256 306 HA2 GLY 43 HA2 GLY 43 -25.993 -24.546 11.706 307 HA3 GLY 43 HA1 GLY 43 -25.618 -23.277 12.857 308 H ARG 44 HN ARG 44 -25.494 -21.522 10.233 309 HA ARG 44 HA ARG 44 -28.390 -20.947 10.212 310 HB2 ARG 44 HB2 ARG 44 -26.126 -19.181 9.242 311 HB3 ARG 44 HB1 ARG 44 -27.798 -18.711 9.513 312 HG2 ARG 44 HG2 ARG 44 -27.524 -18.971 11.906 313 HG3 ARG 44 HG1 ARG 44 -25.886 -19.586 11.679 314 HD2 ARG 44 HD2 ARG 44 -25.341 -17.384 10.565 315 HD3 ARG 44 HD1 ARG 44 -26.904 -16.800 11.134 316 HE ARG 44 HE ARG 44 -25.782 -17.697 13.407 317 HH11 ARG 44 HH11 ARG 44 -24.623 -15.554 10.888 318 HH12 ARG 44 HH12 ARG 44 -23.511 -14.724 11.933 319 HH21 ARG 44 HH21 ARG 44 -24.324 -16.610 14.779 320 HH22 ARG 44 HH22 ARG 44 -23.332 -15.333 14.145 321 H SER 45 HN SER 45 -28.628 -19.582 7.840 322 HA SER 45 HA SER 45 -27.433 -21.241 5.731 323 HB2 SER 45 HB2 SER 45 -30.391 -20.609 5.975 324 HB3 SER 45 HB1 SER 45 -29.633 -21.308 4.543 325 HG SER 45 HG SER 45 -29.025 -22.632 6.874 326 H LEU 46 HN LEU 46 -26.741 -20.134 4.045 327 HA LEU 46 HA LEU 46 -26.703 -17.272 4.293 328 HB2 LEU 46 HB2 LEU 46 -25.310 -19.288 2.591 329 HB3 LEU 46 HB1 LEU 46 -25.321 -17.618 2.073 330 HG LEU 46 HG LEU 46 -24.255 -18.590 4.728 331 HD11 LEU 46 HD11 LEU 46 -22.056 -18.070 3.772 332 HD12 LEU 46 HD12 LEU 46 -22.817 -17.749 2.214 333 HD13 LEU 46 HD13 LEU 46 -22.869 -19.371 2.906 334 HD21 LEU 46 HD21 LEU 46 -25.070 -16.292 4.852 335 HD22 LEU 46 HD22 LEU 46 -24.138 -15.868 3.413 336 HD23 LEU 46 HD23 LEU 46 -23.305 -16.325 4.900 337 HA PRO 47 HA PRO 47 -29.933 -16.101 1.379 338 HB2 PRO 47 HB2 PRO 47 -27.895 -13.962 0.921 339 HB3 PRO 47 HB1 PRO 47 -29.632 -13.816 1.206 340 HG2 PRO 47 HG2 PRO 47 -27.812 -13.293 3.127 341 HG3 PRO 47 HG1 PRO 47 -29.407 -13.978 3.489 342 HD2 PRO 47 HD2 PRO 47 -26.741 -15.278 3.567 343 HD3 PRO 47 HD1 PRO 47 -28.238 -15.704 4.412 344 H ALA 48 HN ALA 48 -30.201 -16.517 -0.749 345 HA ALA 48 HA ALA 48 -28.348 -17.866 -2.297 346 HB1 ALA 48 HB1 ALA 48 -29.809 -17.463 -4.199 347 HB2 ALA 48 HB2 ALA 48 -30.629 -16.170 -3.324 348 HB3 ALA 48 HB3 ALA 48 -30.768 -17.837 -2.766 349 H GLY 49 HN GLY 49 -26.691 -17.293 -3.561 350 HA2 GLY 49 HA2 GLY 49 -25.619 -15.646 -5.035 351 HA3 GLY 49 HA1 GLY 49 -26.146 -14.406 -3.902 352 H TRP 50 HN TRP 50 -25.556 -15.906 -1.511 353 HA TRP 50 HA TRP 50 -22.726 -15.353 -1.316 354 HB2 TRP 50 HB2 TRP 50 -24.715 -16.520 0.652 355 HB3 TRP 50 HB1 TRP 50 -23.016 -16.251 1.036 356 HD1 TRP 50 HD1 TRP 50 -26.090 -14.153 -0.098 357 HE1 TRP 50 HE1 TRP 50 -25.886 -11.819 0.970 358 HE3 TRP 50 HE3 TRP 50 -21.549 -14.702 2.198 359 HZ2 TRP 50 HZ2 TRP 50 -24.051 -10.403 2.567 360 HZ3 TRP 50 HZ3 TRP 50 -20.642 -12.804 3.478 361 HH2 TRP 50 HH2 TRP 50 -21.869 -10.699 3.656 362 H GLU 51 HN GLU 51 -21.067 -16.865 -0.898 363 HA GLU 51 HA GLU 51 -21.760 -19.696 -1.299 364 HB2 GLU 51 HB2 GLU 51 -19.877 -20.059 -2.739 365 HB3 GLU 51 HB1 GLU 51 -20.797 -18.714 -3.403 366 HG2 GLU 51 HG2 GLU 51 -19.198 -17.150 -2.389 367 HG3 GLU 51 HG1 GLU 51 -18.269 -18.510 -1.775 368 H THR 52 HN THR 52 -20.333 -21.162 -0.366 369 HA THR 52 HA THR 52 -18.846 -20.129 1.955 370 HB THR 52 HB THR 52 -19.228 -22.482 2.861 371 HG1 THR 52 HG1 THR 52 -20.046 -23.819 1.445 372 HG21 THR 52 HG21 THR 52 -21.562 -22.043 3.534 373 HG22 THR 52 HG22 THR 52 -21.667 -20.775 2.312 374 HG23 THR 52 HG23 THR 52 -20.557 -20.600 3.673 375 H VAL 53 HN VAL 53 -17.008 -21.475 2.647 376 HA VAL 53 HA VAL 53 -15.694 -23.256 0.845 377 HB VAL 53 HB VAL 53 -13.615 -21.515 0.796 378 HG11 VAL 53 HG11 VAL 53 -14.522 -22.784 -1.115 379 HG12 VAL 53 HG12 VAL 53 -14.105 -21.127 -1.554 380 HG13 VAL 53 HG13 VAL 53 -15.793 -21.575 -1.301 381 HG21 VAL 53 HG21 VAL 53 -16.050 -19.757 0.454 382 HG22 VAL 53 HG22 VAL 53 -14.377 -19.288 0.138 383 HG23 VAL 53 HG23 VAL 53 -14.893 -19.674 1.778 384 H GLY 54 HN GLY 54 -13.514 -23.844 1.656 385 HA2 GLY 54 HA2 GLY 54 -11.966 -24.178 3.342 386 HA3 GLY 54 HA1 GLY 54 -12.868 -23.088 4.374 387 H GLU 55 HN GLU 55 -12.133 -25.004 5.789 388 HA GLU 55 HA GLU 55 -14.317 -26.954 5.942 389 HB2 GLU 55 HB2 GLU 55 -11.607 -26.915 7.307 390 HB3 GLU 55 HB1 GLU 55 -12.812 -28.172 7.466 391 HG2 GLU 55 HG2 GLU 55 -12.558 -28.801 5.160 392 HG3 GLU 55 HG1 GLU 55 -11.477 -27.437 4.875 393 HA PRO 56 HA PRO 56 -15.923 -24.512 9.251 394 HB2 PRO 56 HB2 PRO 56 -17.183 -26.387 10.772 395 HB3 PRO 56 HB1 PRO 56 -17.820 -25.815 9.232 396 HG2 PRO 56 HG2 PRO 56 -16.272 -28.309 9.825 397 HG3 PRO 56 HG1 PRO 56 -17.701 -28.097 8.798 398 HD2 PRO 56 HD2 PRO 56 -15.217 -28.263 7.767 399 HD3 PRO 56 HD1 PRO 56 -16.462 -27.249 7.034 400 H ALA 57 HN ALA 57 -14.635 -23.628 10.719 401 HA ALA 57 HA ALA 57 -13.251 -25.323 12.695 402 HB1 ALA 57 HB1 ALA 57 -11.109 -24.182 12.286 403 HB2 ALA 57 HB2 ALA 57 -11.830 -23.304 10.937 404 HB3 ALA 57 HB3 ALA 57 -11.654 -25.058 10.855 405 H THR 58 HN THR 58 -12.150 -23.856 14.391 406 HA THR 58 HA THR 58 -14.104 -22.169 15.473 407 HB THR 58 HB THR 58 -12.413 -23.223 16.889 408 HG1 THR 58 HG1 THR 58 -12.978 -21.618 18.128 409 HG21 THR 58 HG21 THR 58 -10.450 -21.244 15.720 410 HG22 THR 58 HG22 THR 58 -10.474 -22.971 15.362 411 HG23 THR 58 HG23 THR 58 -10.130 -22.415 17.001 412 H LYS 59 HN LYS 59 -14.095 -19.897 15.804 413 HA LYS 59 HA LYS 59 -13.951 -18.349 13.550 414 HB2 LYS 59 HB2 LYS 59 -15.161 -17.706 15.576 415 HB3 LYS 59 HB1 LYS 59 -13.647 -17.468 16.432 416 HG2 LYS 59 HG2 LYS 59 -14.616 -15.346 15.795 417 HG3 LYS 59 HG1 LYS 59 -13.091 -15.605 14.943 418 HD2 LYS 59 HD2 LYS 59 -14.220 -16.122 12.907 419 HD3 LYS 59 HD1 LYS 59 -15.781 -16.233 13.724 420 HE2 LYS 59 HE2 LYS 59 -15.546 -14.137 12.459 421 HE3 LYS 59 HE1 LYS 59 -15.742 -13.849 14.186 422 HZ1 LYS 59 HZ1 LYS 59 -13.186 -13.758 12.673 423 HZ2 LYS 59 HZ2 LYS 59 -13.333 -13.542 14.343 424 HZ3 LYS 59 HZ3 LYS 59 -14.037 -12.435 13.285 425 H GLN 60 HN GLN 60 -11.426 -18.814 15.970 426 HA GLN 60 HA GLN 60 -9.632 -16.864 15.026 427 HB2 GLN 60 HB2 GLN 60 -8.990 -19.445 16.478 428 HB3 GLN 60 HB1 GLN 60 -7.932 -18.044 16.341 429 HG2 GLN 60 HG2 GLN 60 -9.614 -16.704 17.575 430 HG3 GLN 60 HG1 GLN 60 -10.580 -18.162 17.782 431 HE21 GLN 60 HE21 GLN 60 -8.183 -19.838 18.167 432 HE22 GLN 60 HE22 GLN 60 -7.624 -19.493 19.763 433 H GLN 61 HN GLN 61 -9.997 -20.295 14.234 434 HA GLN 61 HA GLN 61 -7.719 -20.391 12.506 435 HB2 GLN 61 HB2 GLN 61 -10.031 -22.260 12.985 436 HB3 GLN 61 HB1 GLN 61 -8.824 -22.581 11.745 437 HG2 GLN 61 HG2 GLN 61 -7.069 -22.595 13.426 438 HG3 GLN 61 HG1 GLN 61 -8.249 -22.214 14.679 439 HE21 GLN 61 HE21 GLN 61 -6.448 -24.530 14.305 440 HE22 GLN 61 HE22 GLN 61 -7.476 -25.917 14.367 441 H CYS 62 HN CYS 62 -11.129 -19.743 12.081 442 HA CYS 62 HA CYS 62 -11.170 -19.989 9.249 443 HB2 CYS 62 HB2 CYS 62 -13.009 -18.460 11.105 444 HB3 CYS 62 HB1 CYS 62 -13.332 -18.788 9.405 445 HG CYS 62 HG CYS 62 -13.211 -21.027 11.971 446 H LEU 63 HN LEU 63 -10.828 -17.166 11.425 447 HA LEU 63 HA LEU 63 -10.511 -15.319 9.278 448 HB2 LEU 63 HB2 LEU 63 -9.799 -13.708 10.940 449 HB3 LEU 63 HB1 LEU 63 -11.209 -14.578 11.499 450 HG LEU 63 HG LEU 63 -9.429 -16.046 12.778 451 HD11 LEU 63 HD11 LEU 63 -7.941 -13.434 12.442 452 HD12 LEU 63 HD12 LEU 63 -7.448 -14.998 11.792 453 HD13 LEU 63 HD13 LEU 63 -7.497 -14.746 13.534 454 HD21 LEU 63 HD21 LEU 63 -10.227 -13.273 13.653 455 HD22 LEU 63 HD22 LEU 63 -9.644 -14.555 14.715 456 HD23 LEU 63 HD23 LEU 63 -11.170 -14.750 13.854 457 H GLN 64 HN GLN 64 -8.285 -17.264 11.185 458 HA GLN 64 HA GLN 64 -5.880 -16.225 10.121 459 HB2 GLN 64 HB2 GLN 64 -5.967 -17.588 12.177 460 HB3 GLN 64 HB1 GLN 64 -6.449 -18.988 11.229 461 HG2 GLN 64 HG2 GLN 64 -4.313 -18.982 10.074 462 HG3 GLN 64 HG1 GLN 64 -3.828 -17.522 10.940 463 HE21 GLN 64 HE21 GLN 64 -3.271 -17.663 13.112 464 HE22 GLN 64 HE22 GLN 64 -2.933 -19.173 13.883 465 H ARG 65 HN ARG 65 -8.190 -18.547 9.013 466 HA ARG 65 HA ARG 65 -6.609 -19.885 7.096 467 HB2 ARG 65 HB2 ARG 65 -8.933 -20.488 8.127 468 HB3 ARG 65 HB1 ARG 65 -9.590 -19.496 6.836 469 HG2 ARG 65 HG2 ARG 65 -8.658 -20.948 5.166 470 HG3 ARG 65 HG1 ARG 65 -7.796 -21.877 6.397 471 HD2 ARG 65 HD2 ARG 65 -10.087 -22.358 7.415 472 HD3 ARG 65 HD1 ARG 65 -10.767 -21.730 5.913 473 HE ARG 65 HE ARG 65 -9.637 -23.535 4.740 474 HH11 ARG 65 HH11 ARG 65 -9.894 -23.847 8.225 475 HH12 ARG 65 HH12 ARG 65 -9.701 -25.567 8.215 476 HH21 ARG 65 HH21 ARG 65 -9.384 -25.783 4.731 477 HH22 ARG 65 HH22 ARG 65 -9.407 -26.680 6.218 478 H ILE 66 HN ILE 66 -8.895 -17.172 6.834 479 HA ILE 66 HA ILE 66 -8.547 -16.880 4.021 480 HB ILE 66 HB ILE 66 -9.755 -14.710 4.295 481 HG12 ILE 66 HG12 ILE 66 -9.888 -15.519 7.219 482 HG13 ILE 66 HG11 ILE 66 -8.944 -14.176 6.587 483 HG21 ILE 66 HG21 ILE 66 -11.888 -15.748 4.975 484 HG22 ILE 66 HG22 ILE 66 -10.995 -17.140 5.586 485 HG23 ILE 66 HG23 ILE 66 -10.967 -16.761 3.863 486 HD11 ILE 66 HD11 ILE 66 -11.019 -13.097 5.836 487 HD12 ILE 66 HD12 ILE 66 -11.008 -13.390 7.575 488 HD13 ILE 66 HD13 ILE 66 -11.945 -14.440 6.508 489 H GLU 67 HN GLU 67 -7.137 -15.200 6.831 490 HA GLU 67 HA GLU 67 -5.865 -13.154 5.385 491 HB2 GLU 67 HB2 GLU 67 -4.375 -12.907 7.356 492 HB3 GLU 67 HB1 GLU 67 -6.077 -12.980 7.791 493 HG2 GLU 67 HG2 GLU 67 -5.877 -15.210 8.573 494 HG3 GLU 67 HG1 GLU 67 -4.263 -15.373 7.891 495 H GLN 68 HN GLN 68 -4.658 -16.366 6.401 496 HA GLN 68 HA GLN 68 -2.038 -15.875 5.342 497 HB2 GLN 68 HB2 GLN 68 -3.302 -18.466 6.258 498 HB3 GLN 68 HB1 GLN 68 -1.592 -18.234 5.912 499 HG2 GLN 68 HG2 GLN 68 -1.552 -16.498 7.721 500 HG3 GLN 68 HG1 GLN 68 -3.202 -16.967 8.125 501 HE21 GLN 68 HE21 GLN 68 -0.850 -17.101 9.779 502 HE22 GLN 68 HE22 GLN 68 -0.629 -18.758 10.216 503 H LEU 69 HN LEU 69 -4.791 -16.314 3.721 504 HA LEU 69 HA LEU 69 -3.612 -17.996 1.607 505 HB2 LEU 69 HB2 LEU 69 -6.470 -17.285 2.237 506 HB3 LEU 69 HB1 LEU 69 -6.013 -17.910 0.666 507 HG LEU 69 HG LEU 69 -5.636 -19.356 3.296 508 HD11 LEU 69 HD11 LEU 69 -7.401 -20.844 2.512 509 HD12 LEU 69 HD12 LEU 69 -7.600 -19.863 1.058 510 HD13 LEU 69 HD13 LEU 69 -7.993 -19.187 2.638 511 HD21 LEU 69 HD21 LEU 69 -3.913 -19.925 1.641 512 HD22 LEU 69 HD22 LEU 69 -5.174 -20.304 0.465 513 HD23 LEU 69 HD23 LEU 69 -5.011 -21.273 1.930 514 H TRP 70 HN TRP 70 -5.784 -15.200 1.808 515 HA TRP 70 HA TRP 70 -4.992 -14.342 -0.849 516 HB2 TRP 70 HB2 TRP 70 -7.387 -14.368 0.048 517 HB3 TRP 70 HB1 TRP 70 -6.937 -12.976 1.025 518 HD1 TRP 70 HD1 TRP 70 -6.300 -10.692 -0.360 519 HE1 TRP 70 HE1 TRP 70 -7.151 -9.864 -2.642 520 HE3 TRP 70 HE3 TRP 70 -8.155 -15.093 -2.177 521 HZ2 TRP 70 HZ2 TRP 70 -8.452 -10.933 -4.908 522 HZ3 TRP 70 HZ3 TRP 70 -9.199 -15.106 -4.404 523 HH2 TRP 70 HH2 TRP 70 -9.345 -13.066 -5.740 524 H THR 71 HN THR 71 -5.069 -12.969 2.402 525 HA THR 71 HA THR 71 -3.748 -10.545 1.541 526 HB THR 71 HB THR 71 -4.439 -11.120 4.406 527 HG1 THR 71 HG1 THR 71 -6.617 -10.208 3.617 528 HG21 THR 71 HG21 THR 71 -3.430 -8.960 3.844 529 HG22 THR 71 HG22 THR 71 -5.104 -8.739 4.348 530 HG23 THR 71 HG23 THR 71 -4.681 -8.667 2.635 531 H ASP 72 HN ASP 72 -2.710 -13.531 2.556 532 HA ASP 72 HA ASP 72 -1.156 -13.363 4.736 533 HB2 ASP 72 HB2 ASP 72 -0.051 -15.302 4.062 534 HB3 ASP 72 HB1 ASP 72 -1.597 -15.352 3.233 535 H MET 73 HN MET 73 -0.253 -12.031 1.606 536 HA MET 73 HA MET 73 2.465 -11.483 2.315 537 HB2 MET 73 HB2 MET 73 0.669 -10.178 0.248 538 HB3 MET 73 HB1 MET 73 2.394 -9.866 0.408 539 HG2 MET 73 HG2 MET 73 1.128 -12.519 -0.261 540 HG3 MET 73 HG1 MET 73 1.945 -11.441 -1.390 541 HE1 MET 73 HE1 MET 73 5.661 -11.621 -0.189 542 HE2 MET 73 HE2 MET 73 4.457 -10.421 0.279 543 HE3 MET 73 HE3 MET 73 4.545 -10.979 -1.392 544 H VAL 74 HN VAL 74 2.190 -10.714 4.450 545 HA VAL 74 HA VAL 74 0.520 -8.456 5.030 546 HB VAL 74 HB VAL 74 1.060 -8.757 7.288 547 HG11 VAL 74 HG11 VAL 74 -0.161 -10.667 6.421 548 HG12 VAL 74 HG12 VAL 74 0.917 -11.155 7.728 549 HG13 VAL 74 HG13 VAL 74 1.352 -11.491 6.052 550 HG21 VAL 74 HG21 VAL 74 3.458 -8.571 7.217 551 HG22 VAL 74 HG22 VAL 74 3.602 -10.139 6.419 552 HG23 VAL 74 HG23 VAL 74 3.037 -10.047 8.088 553 HA PRO 75 HA PRO 75 3.400 -5.086 4.631 554 HB2 PRO 75 HB2 PRO 75 2.840 -3.589 6.851 555 HB3 PRO 75 HB1 PRO 75 1.778 -3.664 5.441 556 HG2 PRO 75 HG2 PRO 75 1.588 -5.157 8.034 557 HG3 PRO 75 HG1 PRO 75 0.305 -4.346 7.113 558 HD2 PRO 75 HD2 PRO 75 0.660 -7.009 7.006 559 HD3 PRO 75 HD1 PRO 75 0.128 -6.081 5.590 560 H ALA 76 HN ALA 76 4.705 -3.612 6.543 561 HA ALA 76 HA ALA 76 7.024 -5.043 7.069 562 HB1 ALA 76 HB1 ALA 76 6.007 -2.582 8.494 563 HB2 ALA 76 HB2 ALA 76 6.952 -2.608 7.005 564 HB3 ALA 76 HB3 ALA 76 7.672 -3.167 8.515 565 H SER 77 HN SER 77 4.085 -4.969 8.819 566 HA SER 77 HA SER 77 4.761 -5.543 11.413 567 HB2 SER 77 HB2 SER 77 2.471 -6.775 9.865 568 HB3 SER 77 HB1 SER 77 2.560 -6.555 11.613 569 HG SER 77 HG SER 77 1.960 -4.554 11.371 570 H VAL 78 HN VAL 78 5.276 -7.550 8.655 571 HA VAL 78 HA VAL 78 5.228 -10.109 9.717 572 HB VAL 78 HB VAL 78 5.618 -9.590 7.320 573 HG11 VAL 78 HG11 VAL 78 8.478 -9.040 8.099 574 HG12 VAL 78 HG12 VAL 78 7.301 -7.790 7.701 575 HG13 VAL 78 HG13 VAL 78 7.778 -8.970 6.482 576 HG21 VAL 78 HG21 VAL 78 7.199 -11.429 6.887 577 HG22 VAL 78 HG22 VAL 78 6.033 -11.840 8.145 578 HG23 VAL 78 HG23 VAL 78 7.683 -11.402 8.583 579 H ARG 79 HN ARG 79 7.597 -7.565 10.171 580 HA ARG 79 HA ARG 79 9.716 -9.089 11.217 581 HB2 ARG 79 HB2 ARG 79 8.905 -6.205 11.490 582 HB3 ARG 79 HB1 ARG 79 10.219 -6.836 12.472 583 HG2 ARG 79 HG2 ARG 79 11.104 -5.775 10.504 584 HG3 ARG 79 HG1 ARG 79 11.409 -7.505 10.420 585 HD2 ARG 79 HD2 ARG 79 9.403 -7.690 8.955 586 HD3 ARG 79 HD1 ARG 79 9.297 -5.934 8.946 587 HE ARG 79 HE ARG 79 11.876 -6.920 8.151 588 HH11 ARG 79 HH11 ARG 79 8.650 -6.162 7.032 589 HH12 ARG 79 HH12 ARG 79 9.124 -5.976 5.374 590 HH21 ARG 79 HH21 ARG 79 12.512 -6.689 5.975 591 HH22 ARG 79 HH22 ARG 79 11.332 -6.281 4.771 592 H GLU 80 HN GLU 80 6.864 -7.675 12.753 593 HA GLU 80 HA GLU 80 7.612 -8.091 15.431 594 HB2 GLU 80 HB2 GLU 80 5.731 -6.649 14.716 595 HB3 GLU 80 HB1 GLU 80 4.824 -8.079 14.246 596 HG2 GLU 80 HG2 GLU 80 4.088 -7.199 16.409 597 HG3 GLU 80 HG1 GLU 80 4.744 -8.830 16.556 598 H HIS 81 HN HIS 81 6.431 -10.278 13.012 599 HA HIS 81 HA HIS 81 5.526 -12.302 14.829 600 HB2 HIS 81 HB2 HIS 81 6.212 -12.426 11.884 601 HB3 HIS 81 HB1 HIS 81 5.528 -13.772 12.792 602 HD1 HIS 81 HD1 HIS 81 3.017 -13.799 13.070 603 HD2 HIS 81 HD2 HIS 81 4.429 -10.152 11.675 604 HE1 HIS 81 HE1 HIS 81 0.977 -12.481 12.451 605 HE2 HIS 81 HE2 HIS 81 1.852 -10.197 11.861 606 H LEU 82 HN LEU 82 8.569 -11.475 13.326 607 HA LEU 82 HA LEU 82 9.867 -13.928 14.170 608 HB2 LEU 82 HB2 LEU 82 10.855 -11.403 12.848 609 HB3 LEU 82 HB1 LEU 82 11.968 -12.626 13.430 610 HG LEU 82 HG LEU 82 11.623 -12.882 11.046 611 HD11 LEU 82 HD11 LEU 82 10.250 -15.090 12.577 612 HD12 LEU 82 HD12 LEU 82 11.991 -14.903 12.359 613 HD13 LEU 82 HD13 LEU 82 10.958 -15.223 10.966 614 HD21 LEU 82 HD21 LEU 82 9.433 -11.865 10.812 615 HD22 LEU 82 HD22 LEU 82 8.690 -13.204 11.686 616 HD23 LEU 82 HD23 LEU 82 9.433 -13.483 10.112 617 H ASN 83 HN ASN 83 8.869 -11.155 15.656 618 HA ASN 83 HA ASN 83 11.098 -10.856 17.504 619 HB2 ASN 83 HB2 ASN 83 9.808 -8.892 16.607 620 HB3 ASN 83 HB1 ASN 83 8.396 -9.472 17.480 621 HD21 ASN 83 HD21 ASN 83 8.205 -7.693 18.767 622 HD22 ASN 83 HD22 ASN 83 9.348 -7.277 20.001 623 H GLN 84 HN GLN 84 8.758 -13.063 17.204 624 HA GLN 84 HA GLN 84 7.435 -13.178 19.676 625 HB2 GLN 84 HB2 GLN 84 6.991 -15.558 19.108 626 HB3 GLN 84 HB1 GLN 84 6.615 -14.457 17.791 627 HG2 GLN 84 HG2 GLN 84 8.658 -15.068 16.639 628 HG3 GLN 84 HG1 GLN 84 9.148 -16.086 17.992 629 HE21 GLN 84 HE21 GLN 84 8.188 -18.099 18.258 630 HE22 GLN 84 HE22 GLN 84 7.194 -18.821 17.046 631 H HIS 85 HN HIS 85 8.063 -13.788 21.643 632 HA HIS 85 HA HIS 85 10.699 -15.014 22.016 633 HB2 HIS 85 HB2 HIS 85 8.725 -13.766 23.941 634 HB3 HIS 85 HB1 HIS 85 10.136 -14.660 24.493 635 HD1 HIS 85 HD1 HIS 85 11.947 -13.121 25.131 636 HD2 HIS 85 HD2 HIS 85 9.743 -11.643 21.936 637 HE1 HIS 85 HE1 HIS 85 13.002 -10.920 24.545 638 HE2 HIS 85 HE2 HIS 85 11.779 -10.153 22.485 639 H SER 86 HN SER 86 9.818 -16.974 20.951 640 HA SER 86 HA SER 86 9.032 -19.104 20.962 641 HB2 SER 86 HB2 SER 86 10.597 -19.268 22.889 642 HB3 SER 86 HB1 SER 86 9.282 -18.827 23.977 643 HG SER 86 HG SER 86 8.474 -20.867 22.447 644 H GLY 87 HN GLY 87 7.112 -16.850 21.116 645 HA2 GLY 87 HA2 GLY 87 4.829 -18.264 22.361 646 HA3 GLY 87 HA1 GLY 87 4.998 -16.518 22.385 647 HA PRO 88 HA PRO 88 3.396 -17.552 18.060 648 HB2 PRO 88 HB2 PRO 88 3.679 -19.964 16.974 649 HB3 PRO 88 HB1 PRO 88 5.086 -18.914 17.186 650 HG2 PRO 88 HG2 PRO 88 4.288 -21.330 18.723 651 HG3 PRO 88 HG1 PRO 88 5.905 -20.695 18.382 652 HD2 PRO 88 HD2 PRO 88 4.339 -20.313 20.755 653 HD3 PRO 88 HD1 PRO 88 5.928 -19.618 20.381 654 H GLY 89 HN GLY 89 1.873 -19.633 16.912 655 HA2 GLY 89 HA2 GLY 89 -0.127 -20.791 17.102 656 HA3 GLY 89 HA1 GLY 89 0.034 -20.718 18.852 657 H ILE 90 HN ILE 90 -0.307 -18.487 19.809 658 HA ILE 90 HA ILE 90 -2.700 -17.270 18.745 659 HB ILE 90 HB ILE 90 -0.985 -16.285 21.050 660 HG12 ILE 90 HG12 ILE 90 -1.695 -18.606 21.459 661 HG13 ILE 90 HG11 ILE 90 -2.537 -17.494 22.533 662 HG21 ILE 90 HG21 ILE 90 -3.053 -15.171 21.792 663 HG22 ILE 90 HG22 ILE 90 -3.878 -15.754 20.346 664 HG23 ILE 90 HG23 ILE 90 -2.543 -14.611 20.200 665 HD11 ILE 90 HD11 ILE 90 -4.514 -17.623 21.114 666 HD12 ILE 90 HD12 ILE 90 -4.023 -19.215 21.686 667 HD13 ILE 90 HD13 ILE 90 -3.669 -18.726 20.029 668 H ASP 91 HN ASP 91 -1.353 -16.989 16.713 669 HA ASP 91 HA ASP 91 -0.160 -14.309 16.657 670 HB2 ASP 91 HB2 ASP 91 1.711 -15.895 16.723 671 HB3 ASP 91 HB1 ASP 91 1.010 -16.810 15.391 672 H TYR 92 HN TYR 92 -1.077 -13.114 15.102 673 HA TYR 92 HA TYR 92 -2.474 -14.497 12.911 674 HB2 TYR 92 HB2 TYR 92 -3.597 -12.198 14.543 675 HB3 TYR 92 HB1 TYR 92 -4.382 -12.964 13.164 676 HD1 TYR 92 HD1 TYR 92 -5.049 -15.416 13.359 677 HD2 TYR 92 HD2 TYR 92 -3.837 -13.103 16.729 678 HE1 TYR 92 HE1 TYR 92 -6.071 -17.071 14.861 679 HE2 TYR 92 HE2 TYR 92 -4.859 -14.757 18.233 680 HH TYR 92 HH TYR 92 -6.581 -16.491 18.171 681 H ALA 93 HN ALA 93 -2.748 -13.293 11.022 682 HA ALA 93 HA ALA 93 -0.513 -11.467 10.582 683 HB1 ALA 93 HB1 ALA 93 -0.765 -12.015 8.243 684 HB2 ALA 93 HB2 ALA 93 -2.282 -12.853 8.562 685 HB3 ALA 93 HB3 ALA 93 -0.767 -13.502 9.187 686 H VAL 94 HN VAL 94 -1.768 -10.469 8.098 687 HA VAL 94 HA VAL 94 -2.950 -8.131 9.301 688 HB VAL 94 HB VAL 94 -1.243 -7.846 7.660 689 HG11 VAL 94 HG11 VAL 94 -1.471 -9.832 6.339 690 HG12 VAL 94 HG12 VAL 94 -1.582 -8.431 5.274 691 HG13 VAL 94 HG13 VAL 94 -3.043 -9.306 5.736 692 HG21 VAL 94 HG21 VAL 94 -2.911 -6.084 7.789 693 HG22 VAL 94 HG22 VAL 94 -3.897 -6.905 6.579 694 HG23 VAL 94 HG23 VAL 94 -2.322 -6.249 6.135 695 H ARG 95 HN ARG 95 -4.643 -10.001 9.792 696 HA ARG 95 HA ARG 95 -6.862 -9.996 7.939 697 HB2 ARG 95 HB2 ARG 95 -6.392 -11.873 9.552 698 HB3 ARG 95 HB1 ARG 95 -6.807 -10.794 10.870 699 HG2 ARG 95 HG2 ARG 95 -8.749 -11.455 8.666 700 HG3 ARG 95 HG1 ARG 95 -8.576 -12.458 10.103 701 HD2 ARG 95 HD2 ARG 95 -9.514 -9.601 9.927 702 HD3 ARG 95 HD1 ARG 95 -10.399 -11.005 10.522 703 HE ARG 95 HE ARG 95 -8.056 -9.855 11.904 704 HH11 ARG 95 HH11 ARG 95 -11.274 -11.243 11.991 705 HH12 ARG 95 HH12 ARG 95 -11.391 -11.160 13.720 706 HH21 ARG 95 HH21 ARG 95 -8.198 -9.777 14.170 707 HH22 ARG 95 HH22 ARG 95 -9.627 -10.367 14.960 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -4.050 -9.503 -10.045 2 H2 MET 1 HT2 MET 1 -3.782 -10.955 -9.228 3 H3 MET 1 HT3 MET 1 -4.003 -10.959 -10.903 4 HA MET 1 HA MET 1 -1.972 -9.717 -11.212 5 HB2 MET 1 HB2 MET 1 -1.715 -10.037 -8.206 6 HB3 MET 1 HB1 MET 1 -0.435 -9.463 -9.263 7 HG2 MET 1 HG2 MET 1 -1.720 -7.503 -9.837 8 HG3 MET 1 HG1 MET 1 -3.098 -8.099 -8.911 9 HE1 MET 1 HE1 MET 1 -1.790 -5.017 -6.811 10 HE2 MET 1 HE2 MET 1 -3.149 -5.686 -7.717 11 HE3 MET 1 HE3 MET 1 -1.695 -5.161 -8.566 12 H ALA 2 HN ALA 2 -2.016 -11.720 -12.366 13 HA ALA 2 HA ALA 2 0.111 -13.448 -11.765 14 HB1 ALA 2 HB1 ALA 2 -1.076 -15.541 -11.309 15 HB2 ALA 2 HB2 ALA 2 -2.617 -14.681 -11.293 16 HB3 ALA 2 HB3 ALA 2 -1.410 -14.354 -10.049 17 H HIS 3 HN HIS 3 -0.154 -15.532 -13.262 18 HA HIS 3 HA HIS 3 -1.387 -14.639 -15.794 19 HB2 HIS 3 HB2 HIS 3 1.180 -15.003 -15.644 20 HB3 HIS 3 HB1 HIS 3 0.796 -16.721 -15.599 21 HD1 HIS 3 HD1 HIS 3 0.796 -17.791 -17.839 22 HD2 HIS 3 HD2 HIS 3 -0.095 -13.740 -18.064 23 HE1 HIS 3 HE1 HIS 3 0.595 -17.279 -20.292 24 HE2 HIS 3 HE2 HIS 3 -0.114 -14.865 -20.388 25 H HIS 4 HN HIS 4 -2.888 -15.751 -13.808 26 HA HIS 4 HA HIS 4 -4.416 -17.313 -13.307 27 HB2 HIS 4 HB2 HIS 4 -4.986 -16.930 -15.735 28 HB3 HIS 4 HB1 HIS 4 -4.041 -18.359 -16.120 29 HD1 HIS 4 HD1 HIS 4 -6.728 -18.738 -17.041 30 HD2 HIS 4 HD2 HIS 4 -5.840 -19.334 -13.022 31 HE1 HIS 4 HE1 HIS 4 -8.576 -20.184 -16.146 32 HE2 HIS 4 HE2 HIS 4 -7.897 -20.704 -13.779 33 H HIS 5 HN HIS 5 -3.226 -19.753 -15.480 34 HA HIS 5 HA HIS 5 -2.820 -21.938 -14.973 35 HB2 HIS 5 HB2 HIS 5 -0.572 -20.399 -13.707 36 HB3 HIS 5 HB1 HIS 5 -0.616 -22.155 -13.581 37 HD1 HIS 5 HD1 HIS 5 -0.059 -23.504 -15.657 38 HD2 HIS 5 HD2 HIS 5 -0.181 -19.408 -16.340 39 HE1 HIS 5 HE1 HIS 5 0.918 -23.174 -17.946 40 HE2 HIS 5 HE2 HIS 5 0.646 -20.715 -18.410 41 H HIS 6 HN HIS 6 -1.536 -20.980 -11.842 42 HA HIS 6 HA HIS 6 -3.835 -21.475 -10.312 43 HB2 HIS 6 HB2 HIS 6 -3.327 -23.650 -9.319 44 HB3 HIS 6 HB1 HIS 6 -3.536 -23.812 -11.055 45 HD1 HIS 6 HD1 HIS 6 -1.588 -25.241 -8.587 46 HD2 HIS 6 HD2 HIS 6 -0.626 -23.495 -12.234 47 HE1 HIS 6 HE1 HIS 6 0.659 -26.180 -9.214 48 HE2 HIS 6 HE2 HIS 6 1.293 -24.975 -11.330 49 H HIS 7 HN HIS 7 -3.067 -19.599 -9.371 50 HA HIS 7 HA HIS 7 -0.496 -19.371 -8.158 51 HB2 HIS 7 HB2 HIS 7 -1.744 -17.376 -8.836 52 HB3 HIS 7 HB1 HIS 7 -3.034 -17.773 -7.705 53 HD1 HIS 7 HD1 HIS 7 -2.551 -17.361 -5.164 54 HD2 HIS 7 HD2 HIS 7 0.498 -16.158 -7.718 55 HE1 HIS 7 HE1 HIS 7 -1.045 -15.903 -3.775 56 HE2 HIS 7 HE2 HIS 7 0.868 -15.319 -5.299 57 H HIS 8 HN HIS 8 0.168 -20.045 -6.198 58 HA HIS 8 HA HIS 8 -1.299 -21.807 -4.615 59 HB2 HIS 8 HB2 HIS 8 1.131 -21.726 -4.501 60 HB3 HIS 8 HB1 HIS 8 1.079 -20.087 -3.858 61 HD1 HIS 8 HD1 HIS 8 0.299 -23.655 -2.866 62 HD2 HIS 8 HD2 HIS 8 0.752 -19.906 -1.124 63 HE1 HIS 8 HE1 HIS 8 0.271 -24.052 -0.380 64 HE2 HIS 8 HE2 HIS 8 0.470 -21.761 0.654 65 H MET 9 HN MET 9 -3.134 -21.346 -3.640 66 HA MET 9 HA MET 9 -3.271 -19.617 -1.420 67 HB2 MET 9 HB2 MET 9 -3.447 -17.953 -3.347 68 HB3 MET 9 HB1 MET 9 -4.980 -18.709 -3.758 69 HG2 MET 9 HG2 MET 9 -4.383 -17.454 -1.082 70 HG3 MET 9 HG1 MET 9 -5.159 -16.610 -2.417 71 HE1 MET 9 HE1 MET 9 -7.061 -18.776 -3.687 72 HE2 MET 9 HE2 MET 9 -7.587 -17.135 -3.305 73 HE3 MET 9 HE3 MET 9 -8.545 -18.515 -2.771 74 H GLY 10 HN GLY 10 -4.546 -20.739 -0.110 75 HA2 GLY 10 HA2 GLY 10 -6.000 -22.993 -1.042 76 HA3 GLY 10 HA1 GLY 10 -5.950 -22.400 0.609 77 H THR 11 HN THR 11 -7.484 -21.888 -2.541 78 HA THR 11 HA THR 11 -9.536 -20.179 -1.720 79 HB THR 11 HB THR 11 -9.077 -20.626 -4.094 80 HG1 THR 11 HG1 THR 11 -11.362 -20.206 -3.078 81 HG21 THR 11 HG21 THR 11 -10.298 -23.352 -3.587 82 HG22 THR 11 HG22 THR 11 -8.609 -23.027 -3.987 83 HG23 THR 11 HG23 THR 11 -9.876 -22.690 -5.166 84 H LEU 12 HN LEU 12 -9.168 -23.653 -1.447 85 HA LEU 12 HA LEU 12 -11.717 -23.789 0.032 86 HB2 LEU 12 HB2 LEU 12 -10.138 -26.030 -1.259 87 HB3 LEU 12 HB1 LEU 12 -11.630 -26.228 -0.359 88 HG LEU 12 HG LEU 12 -11.358 -24.707 -2.962 89 HD11 LEU 12 HD11 LEU 12 -12.568 -27.416 -2.406 90 HD12 LEU 12 HD12 LEU 12 -11.072 -27.106 -3.285 91 HD13 LEU 12 HD13 LEU 12 -12.612 -26.560 -3.949 92 HD21 LEU 12 HD21 LEU 12 -13.811 -24.647 -2.922 93 HD22 LEU 12 HD22 LEU 12 -13.116 -23.793 -1.545 94 HD23 LEU 12 HD23 LEU 12 -13.803 -25.403 -1.325 95 H GLU 13 HN GLU 13 -8.885 -25.917 0.100 96 HA GLU 13 HA GLU 13 -8.431 -25.233 2.925 97 HB2 GLU 13 HB2 GLU 13 -8.726 -28.033 1.796 98 HB3 GLU 13 HB1 GLU 13 -8.161 -27.665 3.421 99 HG2 GLU 13 HG2 GLU 13 -10.293 -26.697 3.996 100 HG3 GLU 13 HG1 GLU 13 -10.871 -26.896 2.344 101 H ALA 14 HN ALA 14 -6.287 -25.470 3.615 102 HA ALA 14 HA ALA 14 -4.200 -26.705 2.230 103 HB1 ALA 14 HB1 ALA 14 -4.404 -23.755 1.604 104 HB2 ALA 14 HB2 ALA 14 -4.675 -25.065 0.455 105 HB3 ALA 14 HB3 ALA 14 -3.074 -24.824 1.154 106 H GLN 15 HN GLN 15 -3.018 -27.115 3.984 107 HA GLN 15 HA GLN 15 -1.471 -26.819 5.596 108 HB2 GLN 15 HB2 GLN 15 -1.366 -24.002 4.498 109 HB3 GLN 15 HB1 GLN 15 -0.185 -24.699 5.599 110 HG2 GLN 15 HG2 GLN 15 0.321 -26.430 3.891 111 HG3 GLN 15 HG1 GLN 15 -0.775 -25.605 2.783 112 HE21 GLN 15 HE21 GLN 15 2.297 -25.486 4.408 113 HE22 GLN 15 HE22 GLN 15 2.964 -24.183 3.490 114 H THR 16 HN THR 16 -4.285 -26.361 6.334 115 HA THR 16 HA THR 16 -4.226 -24.332 8.373 116 HB THR 16 HB THR 16 -6.342 -25.500 9.200 117 HG1 THR 16 HG1 THR 16 -7.164 -27.154 8.018 118 HG21 THR 16 HG21 THR 16 -6.431 -23.537 7.728 119 HG22 THR 16 HG22 THR 16 -7.718 -24.678 7.334 120 HG23 THR 16 HG23 THR 16 -6.281 -24.583 6.316 121 H GLN 17 HN GLN 17 -2.201 -24.976 9.311 122 HA GLN 17 HA GLN 17 -1.926 -27.476 10.695 123 HB2 GLN 17 HB2 GLN 17 0.060 -26.443 9.820 124 HB3 GLN 17 HB1 GLN 17 -0.275 -24.941 10.667 125 HG2 GLN 17 HG2 GLN 17 1.529 -26.182 11.729 126 HG3 GLN 17 HG1 GLN 17 0.144 -26.021 12.804 127 HE21 GLN 17 HE21 GLN 17 0.339 -28.320 10.142 128 HE22 GLN 17 HE22 GLN 17 0.378 -29.734 11.137 129 H GLY 18 HN GLY 18 -2.639 -27.960 12.651 130 HA2 GLY 18 HA2 GLY 18 -3.006 -27.654 14.940 131 HA3 GLY 18 HA1 GLY 18 -2.837 -25.917 14.726 132 HA PRO 19 HA PRO 19 -7.360 -27.330 13.519 133 HB2 PRO 19 HB2 PRO 19 -8.302 -29.346 15.100 134 HB3 PRO 19 HB1 PRO 19 -7.521 -29.632 13.539 135 HG2 PRO 19 HG2 PRO 19 -6.352 -29.804 16.298 136 HG3 PRO 19 HG1 PRO 19 -6.161 -30.920 14.930 137 HD2 PRO 19 HD2 PRO 19 -4.271 -29.095 15.563 138 HD3 PRO 19 HD1 PRO 19 -4.591 -29.571 13.884 139 H GLY 20 HN GLY 20 -9.080 -26.296 14.472 140 HA2 GLY 20 HA2 GLY 20 -8.907 -25.745 17.374 141 HA3 GLY 20 HA1 GLY 20 -9.137 -24.437 16.225 142 H SER 21 HN SER 21 -10.604 -27.187 17.782 143 HA SER 21 HA SER 21 -13.197 -25.990 17.548 144 HB2 SER 21 HB2 SER 21 -13.070 -27.122 15.351 145 HB3 SER 21 HB1 SER 21 -12.736 -28.655 16.158 146 HG SER 21 HG SER 21 -14.835 -28.838 16.127 147 H MET 22 HN MET 22 -14.019 -26.268 19.496 148 HA MET 22 HA MET 22 -13.440 -28.724 21.020 149 HB2 MET 22 HB2 MET 22 -14.586 -26.054 21.904 150 HB3 MET 22 HB1 MET 22 -14.361 -27.442 22.959 151 HG2 MET 22 HG2 MET 22 -12.158 -25.981 21.514 152 HG3 MET 22 HG1 MET 22 -12.585 -25.769 23.211 153 HE1 MET 22 HE1 MET 22 -12.282 -27.670 25.063 154 HE2 MET 22 HE2 MET 22 -11.685 -29.290 24.706 155 HE3 MET 22 HE3 MET 22 -13.256 -28.774 24.092 156 H ASP 23 HN ASP 23 -15.259 -28.683 18.778 157 HA ASP 23 HA ASP 23 -17.362 -29.206 18.107 158 HB2 ASP 23 HB2 ASP 23 -17.165 -31.047 19.750 159 HB3 ASP 23 HB1 ASP 23 -17.778 -29.987 21.013 160 H ASP 24 HN ASP 24 -16.569 -26.619 19.440 161 HA ASP 24 HA ASP 24 -19.017 -25.461 20.416 162 HB2 ASP 24 HB2 ASP 24 -16.695 -24.762 21.137 163 HB3 ASP 24 HB1 ASP 24 -16.457 -24.078 19.535 164 H GLU 25 HN GLU 25 -18.808 -22.924 18.913 165 HA GLU 25 HA GLU 25 -20.435 -23.656 16.703 166 HB2 GLU 25 HB2 GLU 25 -19.198 -20.955 17.285 167 HB3 GLU 25 HB1 GLU 25 -20.587 -21.280 16.253 168 HG2 GLU 25 HG2 GLU 25 -20.415 -21.523 19.249 169 HG3 GLU 25 HG1 GLU 25 -21.391 -20.395 18.311 170 H LEU 26 HN LEU 26 -19.760 -24.314 14.777 171 HA LEU 26 HA LEU 26 -17.035 -23.787 13.907 172 HB2 LEU 26 HB2 LEU 26 -19.244 -25.531 12.876 173 HB3 LEU 26 HB1 LEU 26 -17.934 -25.086 11.806 174 HG LEU 26 HG LEU 26 -16.310 -26.121 13.329 175 HD11 LEU 26 HD11 LEU 26 -17.056 -27.498 15.204 176 HD12 LEU 26 HD12 LEU 26 -18.714 -26.952 14.949 177 HD13 LEU 26 HD13 LEU 26 -17.471 -25.801 15.441 178 HD21 LEU 26 HD21 LEU 26 -16.932 -28.452 12.929 179 HD22 LEU 26 HD22 LEU 26 -17.254 -27.446 11.518 180 HD23 LEU 26 HD23 LEU 26 -18.583 -27.951 12.561 181 H TYR 27 HN TYR 27 -16.490 -22.704 12.068 182 HA TYR 27 HA TYR 27 -18.539 -20.973 10.864 183 HB2 TYR 27 HB2 TYR 27 -15.784 -20.279 11.884 184 HB3 TYR 27 HB1 TYR 27 -16.503 -19.342 10.581 185 HD1 TYR 27 HD1 TYR 27 -17.478 -20.623 13.982 186 HD2 TYR 27 HD2 TYR 27 -17.598 -17.415 11.182 187 HE1 TYR 27 HE1 TYR 27 -18.660 -19.234 15.631 188 HE2 TYR 27 HE2 TYR 27 -18.778 -16.019 12.824 189 HH TYR 27 HH TYR 27 -20.211 -16.334 14.827 190 H PHE 28 HN PHE 28 -18.300 -20.572 8.690 191 HA PHE 28 HA PHE 28 -16.188 -22.052 7.266 192 HB2 PHE 28 HB2 PHE 28 -19.080 -22.083 6.909 193 HB3 PHE 28 HB1 PHE 28 -18.280 -21.541 5.440 194 HD1 PHE 28 HD1 PHE 28 -15.872 -23.074 5.291 195 HD2 PHE 28 HD2 PHE 28 -19.722 -24.296 6.621 196 HE1 PHE 28 HE1 PHE 28 -15.346 -25.396 4.697 197 HE2 PHE 28 HE2 PHE 28 -19.181 -26.631 6.028 198 HZ PHE 28 HZ PHE 28 -17.001 -27.170 5.050 199 H VAL 29 HN VAL 29 -15.517 -21.027 5.245 200 HA VAL 29 HA VAL 29 -15.501 -18.109 5.488 201 HB VAL 29 HB VAL 29 -13.953 -20.075 3.793 202 HG11 VAL 29 HG11 VAL 29 -13.951 -17.070 3.560 203 HG12 VAL 29 HG12 VAL 29 -14.367 -18.248 2.309 204 HG13 VAL 29 HG13 VAL 29 -12.705 -18.121 2.886 205 HG21 VAL 29 HG21 VAL 29 -13.198 -19.823 6.088 206 HG22 VAL 29 HG22 VAL 29 -13.088 -18.074 5.880 207 HG23 VAL 29 HG23 VAL 29 -12.014 -19.140 4.973 208 H VAL 30 HN VAL 30 -16.478 -16.782 3.902 209 HA VAL 30 HA VAL 30 -18.045 -18.157 1.836 210 HB VAL 30 HB VAL 30 -20.092 -16.973 2.430 211 HG11 VAL 30 HG11 VAL 30 -18.896 -18.520 4.730 212 HG12 VAL 30 HG12 VAL 30 -19.785 -19.184 3.360 213 HG13 VAL 30 HG13 VAL 30 -20.612 -18.163 4.537 214 HG21 VAL 30 HG21 VAL 30 -18.544 -15.924 4.812 215 HG22 VAL 30 HG22 VAL 30 -20.276 -15.724 4.543 216 HG23 VAL 30 HG23 VAL 30 -19.123 -14.974 3.442 217 H ARG 31 HN ARG 31 -19.074 -16.648 0.309 218 HA ARG 31 HA ARG 31 -18.022 -13.937 0.220 219 HB2 ARG 31 HB2 ARG 31 -16.845 -14.203 -1.920 220 HB3 ARG 31 HB1 ARG 31 -16.125 -15.231 -0.684 221 HG2 ARG 31 HG2 ARG 31 -17.439 -17.142 -1.587 222 HG3 ARG 31 HG1 ARG 31 -18.006 -16.086 -2.879 223 HD2 ARG 31 HD2 ARG 31 -15.116 -16.749 -2.337 224 HD3 ARG 31 HD1 ARG 31 -16.116 -17.548 -3.542 225 HE ARG 31 HE ARG 31 -14.731 -15.123 -3.843 226 HH11 ARG 31 HH11 ARG 31 -17.904 -16.427 -4.611 227 HH12 ARG 31 HH12 ARG 31 -17.985 -15.627 -6.147 228 HH21 ARG 31 HH21 ARG 31 -14.853 -14.097 -5.864 229 HH22 ARG 31 HH22 ARG 31 -16.267 -14.289 -6.853 230 H ASN 32 HN ASN 32 -18.944 -12.664 -1.484 231 HA ASN 32 HA ASN 32 -20.432 -13.889 -3.591 232 HB2 ASN 32 HB2 ASN 32 -22.611 -12.863 -3.165 233 HB3 ASN 32 HB1 ASN 32 -22.186 -13.958 -1.851 234 HD21 ASN 32 HD21 ASN 32 -20.373 -12.121 -0.524 235 HD22 ASN 32 HD22 ASN 32 -21.355 -10.890 0.176 236 H ASN 33 HN ASN 33 -20.524 -12.583 -5.320 237 HA ASN 33 HA ASN 33 -20.022 -10.873 -6.722 238 HB2 ASN 33 HB2 ASN 33 -21.554 -9.440 -4.555 239 HB3 ASN 33 HB1 ASN 33 -21.167 -8.716 -6.111 240 HD21 ASN 33 HD21 ASN 33 -23.764 -9.198 -5.034 241 HD22 ASN 33 HD22 ASN 33 -24.569 -10.284 -6.115 242 H GLU 34 HN GLU 34 -18.095 -11.109 -4.174 243 HA GLU 34 HA GLU 34 -17.012 -8.370 -4.318 244 HB2 GLU 34 HB2 GLU 34 -16.149 -8.741 -2.052 245 HB3 GLU 34 HB1 GLU 34 -17.893 -8.964 -2.121 246 HG2 GLU 34 HG2 GLU 34 -17.398 -11.459 -2.360 247 HG3 GLU 34 HG1 GLU 34 -15.752 -11.059 -1.871 248 H GLY 35 HN GLY 35 -16.163 -11.790 -4.492 249 HA2 GLY 35 HA2 GLY 35 -14.287 -12.734 -5.490 250 HA3 GLY 35 HA1 GLY 35 -13.627 -11.120 -5.723 251 H GLN 36 HN GLN 36 -14.147 -10.573 -2.798 252 HA GLN 36 HA GLN 36 -11.718 -11.803 -1.747 253 HB2 GLN 36 HB2 GLN 36 -13.427 -9.514 -0.735 254 HB3 GLN 36 HB1 GLN 36 -12.023 -10.144 0.119 255 HG2 GLN 36 HG2 GLN 36 -10.621 -9.588 -1.839 256 HG3 GLN 36 HG1 GLN 36 -12.037 -8.871 -2.612 257 HE21 GLN 36 HE21 GLN 36 -9.739 -8.582 -0.009 258 HE22 GLN 36 HE22 GLN 36 -10.048 -6.917 0.347 259 H TYR 37 HN TYR 37 -11.959 -12.190 0.794 260 HA TYR 37 HA TYR 37 -14.152 -14.141 0.948 261 HB2 TYR 37 HB2 TYR 37 -11.330 -14.186 1.956 262 HB3 TYR 37 HB1 TYR 37 -12.557 -15.200 2.714 263 HD1 TYR 37 HD2 TYR 37 -14.184 -16.220 0.750 264 HD2 TYR 37 HD1 TYR 37 -10.015 -15.410 0.450 265 HE1 TYR 37 HE2 TYR 37 -13.993 -17.896 -1.056 266 HE2 TYR 37 HE1 TYR 37 -9.811 -17.075 -1.362 267 HH TYR 37 HH TYR 37 -12.457 -18.330 -3.002 268 H SER 38 HN SER 38 -15.235 -14.530 2.815 269 HA SER 38 HA SER 38 -14.777 -12.785 5.103 270 HB2 SER 38 HB2 SER 38 -17.506 -13.337 3.892 271 HB3 SER 38 HB1 SER 38 -17.208 -12.420 5.367 272 HG SER 38 HG SER 38 -15.888 -11.599 3.044 273 H VAL 39 HN VAL 39 -16.423 -13.705 6.946 274 HA VAL 39 HA VAL 39 -16.341 -16.652 6.816 275 HB VAL 39 HB VAL 39 -15.877 -16.709 9.254 276 HG11 VAL 39 HG11 VAL 39 -13.778 -15.248 7.640 277 HG12 VAL 39 HG12 VAL 39 -14.094 -16.983 7.571 278 HG13 VAL 39 HG13 VAL 39 -13.495 -16.250 9.064 279 HG21 VAL 39 HG21 VAL 39 -15.039 -14.705 10.386 280 HG22 VAL 39 HG22 VAL 39 -16.694 -14.460 9.833 281 HG23 VAL 39 HG23 VAL 39 -15.353 -13.743 8.941 282 H TRP 40 HN TRP 40 -17.922 -17.745 8.105 283 HA TRP 40 HA TRP 40 -20.328 -16.207 8.745 284 HB2 TRP 40 HB2 TRP 40 -20.595 -16.593 6.406 285 HB3 TRP 40 HB1 TRP 40 -20.055 -18.256 6.548 286 HD1 TRP 40 HD1 TRP 40 -23.108 -16.115 7.686 287 HE1 TRP 40 HE1 TRP 40 -25.198 -17.633 7.555 288 HE3 TRP 40 HE3 TRP 40 -20.854 -20.505 6.344 289 HZ2 TRP 40 HZ2 TRP 40 -25.798 -20.287 6.932 290 HZ3 TRP 40 HZ3 TRP 40 -22.263 -22.490 5.991 291 HH2 TRP 40 HH2 TRP 40 -24.687 -22.385 6.287 292 H MET 41 HN MET 41 -21.741 -17.275 10.102 293 HA MET 41 HA MET 41 -20.526 -19.428 11.647 294 HB2 MET 41 HB2 MET 41 -21.339 -17.428 12.813 295 HB3 MET 41 HB1 MET 41 -22.955 -17.700 12.184 296 HG2 MET 41 HG2 MET 41 -23.086 -19.796 13.452 297 HG3 MET 41 HG1 MET 41 -21.468 -19.500 14.093 298 HE1 MET 41 HE1 MET 41 -22.299 -19.731 16.568 299 HE2 MET 41 HE2 MET 41 -23.929 -20.082 15.990 300 HE3 MET 41 HE3 MET 41 -23.680 -18.858 17.235 301 H ASP 42 HN ASP 42 -21.305 -21.466 11.766 302 HA ASP 42 HA ASP 42 -23.276 -22.356 9.893 303 HB2 ASP 42 HB2 ASP 42 -21.328 -23.745 10.568 304 HB3 ASP 42 HB1 ASP 42 -21.984 -23.858 12.198 305 H GLY 43 HN GLY 43 -25.027 -23.995 10.867 306 HA2 GLY 43 HA2 GLY 43 -26.780 -24.319 12.428 307 HA3 GLY 43 HA1 GLY 43 -26.370 -22.783 13.184 308 H ARG 44 HN ARG 44 -26.170 -22.195 10.037 309 HA ARG 44 HA ARG 44 -29.007 -21.769 9.507 310 HB2 ARG 44 HB2 ARG 44 -28.379 -19.419 8.678 311 HB3 ARG 44 HB1 ARG 44 -28.472 -19.649 10.420 312 HG2 ARG 44 HG2 ARG 44 -26.017 -19.857 10.496 313 HG3 ARG 44 HG1 ARG 44 -25.956 -19.567 8.758 314 HD2 ARG 44 HD2 ARG 44 -26.966 -17.659 10.871 315 HD3 ARG 44 HD1 ARG 44 -25.461 -17.521 9.961 316 HE ARG 44 HE ARG 44 -28.049 -17.495 8.556 317 HH11 ARG 44 HH11 ARG 44 -25.071 -15.883 9.441 318 HH12 ARG 44 HH12 ARG 44 -25.295 -14.566 8.334 319 HH21 ARG 44 HH21 ARG 44 -28.361 -15.767 7.106 320 HH22 ARG 44 HH22 ARG 44 -27.173 -14.504 6.994 321 H SER 45 HN SER 45 -29.140 -20.798 7.155 322 HA SER 45 HA SER 45 -27.097 -22.064 5.440 323 HB2 SER 45 HB2 SER 45 -30.102 -22.051 4.992 324 HB3 SER 45 HB1 SER 45 -28.904 -22.681 3.859 325 HG SER 45 HG SER 45 -28.947 -24.465 4.942 326 H LEU 46 HN LEU 46 -26.225 -20.792 4.006 327 HA LEU 46 HA LEU 46 -26.558 -18.046 4.107 328 HB2 LEU 46 HB2 LEU 46 -25.132 -19.925 2.303 329 HB3 LEU 46 HB1 LEU 46 -25.327 -18.278 1.761 330 HG LEU 46 HG LEU 46 -23.923 -19.185 4.275 331 HD11 LEU 46 HD11 LEU 46 -22.583 -19.560 2.329 332 HD12 LEU 46 HD12 LEU 46 -21.964 -18.138 3.167 333 HD13 LEU 46 HD13 LEU 46 -22.936 -17.948 1.711 334 HD21 LEU 46 HD21 LEU 46 -25.101 -17.087 4.700 335 HD22 LEU 46 HD22 LEU 46 -24.381 -16.377 3.255 336 HD23 LEU 46 HD23 LEU 46 -23.360 -16.825 4.621 337 HA PRO 47 HA PRO 47 -30.083 -17.258 1.515 338 HB2 PRO 47 HB2 PRO 47 -29.609 -14.592 1.104 339 HB3 PRO 47 HB1 PRO 47 -30.294 -15.243 2.597 340 HG2 PRO 47 HG2 PRO 47 -27.465 -14.460 1.993 341 HG3 PRO 47 HG1 PRO 47 -28.424 -14.146 3.452 342 HD2 PRO 47 HD2 PRO 47 -26.593 -16.130 3.337 343 HD3 PRO 47 HD1 PRO 47 -28.084 -16.289 4.289 344 H ALA 48 HN ALA 48 -30.585 -16.737 -0.626 345 HA ALA 48 HA ALA 48 -28.919 -17.721 -2.584 346 HB1 ALA 48 HB1 ALA 48 -31.351 -17.431 -2.848 347 HB2 ALA 48 HB2 ALA 48 -30.456 -16.750 -4.207 348 HB3 ALA 48 HB3 ALA 48 -31.122 -15.687 -2.968 349 H GLY 49 HN GLY 49 -27.183 -16.978 -3.590 350 HA2 GLY 49 HA2 GLY 49 -26.131 -15.153 -4.833 351 HA3 GLY 49 HA1 GLY 49 -26.639 -14.071 -3.543 352 H TRP 50 HN TRP 50 -25.936 -16.042 -1.440 353 HA TRP 50 HA TRP 50 -23.056 -15.470 -1.364 354 HB2 TRP 50 HB2 TRP 50 -24.992 -16.473 0.744 355 HB3 TRP 50 HB1 TRP 50 -23.272 -16.238 1.025 356 HD1 TRP 50 HD1 TRP 50 -26.176 -13.987 -0.300 357 HE1 TRP 50 HE1 TRP 50 -25.918 -11.669 0.792 358 HE3 TRP 50 HE3 TRP 50 -21.952 -14.847 2.445 359 HZ2 TRP 50 HZ2 TRP 50 -24.166 -10.384 2.587 360 HZ3 TRP 50 HZ3 TRP 50 -21.050 -13.021 3.826 361 HH2 TRP 50 HH2 TRP 50 -22.135 -10.834 3.896 362 H GLU 51 HN GLU 51 -21.458 -17.101 -1.103 363 HA GLU 51 HA GLU 51 -22.424 -19.879 -1.022 364 HB2 GLU 51 HB2 GLU 51 -20.627 -20.585 -2.595 365 HB3 GLU 51 HB1 GLU 51 -21.879 -19.603 -3.333 366 HG2 GLU 51 HG2 GLU 51 -19.375 -18.284 -2.373 367 HG3 GLU 51 HG1 GLU 51 -19.351 -19.204 -3.875 368 H THR 52 HN THR 52 -20.971 -21.423 -0.211 369 HA THR 52 HA THR 52 -19.224 -20.327 1.868 370 HB THR 52 HB THR 52 -19.397 -22.685 2.810 371 HG1 THR 52 HG1 THR 52 -21.668 -22.977 1.145 372 HG21 THR 52 HG21 THR 52 -20.736 -20.839 3.707 373 HG22 THR 52 HG22 THR 52 -21.639 -22.352 3.729 374 HG23 THR 52 HG23 THR 52 -21.978 -21.143 2.491 375 H VAL 53 HN VAL 53 -17.311 -21.550 2.432 376 HA VAL 53 HA VAL 53 -15.917 -23.244 0.635 377 HB VAL 53 HB VAL 53 -14.042 -21.368 0.304 378 HG11 VAL 53 HG11 VAL 53 -14.874 -20.942 -1.963 379 HG12 VAL 53 HG12 VAL 53 -16.451 -21.591 -1.510 380 HG13 VAL 53 HG13 VAL 53 -15.034 -22.642 -1.522 381 HG21 VAL 53 HG21 VAL 53 -15.258 -19.586 1.444 382 HG22 VAL 53 HG22 VAL 53 -16.578 -19.723 0.282 383 HG23 VAL 53 HG23 VAL 53 -14.987 -19.180 -0.250 384 H GLY 54 HN GLY 54 -13.654 -23.581 1.389 385 HA2 GLY 54 HA2 GLY 54 -11.882 -23.155 2.907 386 HA3 GLY 54 HA1 GLY 54 -13.021 -22.377 3.993 387 H GLU 55 HN GLU 55 -12.027 -23.652 5.628 388 HA GLU 55 HA GLU 55 -12.961 -26.445 5.744 389 HB2 GLU 55 HB2 GLU 55 -10.522 -26.260 5.891 390 HB3 GLU 55 HB1 GLU 55 -10.665 -25.071 7.177 391 HG2 GLU 55 HG2 GLU 55 -11.692 -26.792 8.620 392 HG3 GLU 55 HG1 GLU 55 -11.449 -27.976 7.336 393 HA PRO 56 HA PRO 56 -15.759 -24.747 8.813 394 HB2 PRO 56 HB2 PRO 56 -16.724 -27.076 9.817 395 HB3 PRO 56 HB1 PRO 56 -17.242 -26.417 8.270 396 HG2 PRO 56 HG2 PRO 56 -15.228 -28.571 8.829 397 HG3 PRO 56 HG1 PRO 56 -16.495 -28.520 7.585 398 HD2 PRO 56 HD2 PRO 56 -13.915 -27.946 7.028 399 HD3 PRO 56 HD1 PRO 56 -15.254 -27.150 6.198 400 H ALA 57 HN ALA 57 -14.844 -23.838 10.525 401 HA ALA 57 HA ALA 57 -13.863 -25.427 12.728 402 HB1 ALA 57 HB1 ALA 57 -11.592 -24.490 12.753 403 HB2 ALA 57 HB2 ALA 57 -11.902 -23.690 11.212 404 HB3 ALA 57 HB3 ALA 57 -11.877 -25.452 11.303 405 H THR 58 HN THR 58 -13.046 -23.898 14.520 406 HA THR 58 HA THR 58 -15.187 -22.118 14.991 407 HB THR 58 HB THR 58 -13.828 -23.395 16.745 408 HG1 THR 58 HG1 THR 58 -15.403 -21.779 17.254 409 HG21 THR 58 HG21 THR 58 -11.588 -22.643 16.051 410 HG22 THR 58 HG22 THR 58 -11.920 -22.222 17.731 411 HG23 THR 58 HG23 THR 58 -12.016 -20.984 16.478 412 H LYS 59 HN LYS 59 -14.733 -19.847 15.851 413 HA LYS 59 HA LYS 59 -14.380 -18.204 13.684 414 HB2 LYS 59 HB2 LYS 59 -15.545 -17.618 15.782 415 HB3 LYS 59 HB1 LYS 59 -13.999 -17.496 16.603 416 HG2 LYS 59 HG2 LYS 59 -14.863 -15.303 16.069 417 HG3 LYS 59 HG1 LYS 59 -13.378 -15.614 15.169 418 HD2 LYS 59 HD2 LYS 59 -14.524 -15.867 13.138 419 HD3 LYS 59 HD1 LYS 59 -16.075 -16.135 13.938 420 HE2 LYS 59 HE2 LYS 59 -15.915 -13.903 12.883 421 HE3 LYS 59 HE1 LYS 59 -16.179 -13.821 14.621 422 HZ1 LYS 59 HZ1 LYS 59 -13.590 -13.420 13.224 423 HZ2 LYS 59 HZ2 LYS 59 -13.795 -13.406 14.904 424 HZ3 LYS 59 HZ3 LYS 59 -14.532 -12.219 13.950 425 H GLN 60 HN GLN 60 -12.006 -18.810 16.280 426 HA GLN 60 HA GLN 60 -10.005 -17.069 15.487 427 HB2 GLN 60 HB2 GLN 60 -10.007 -18.304 17.625 428 HB3 GLN 60 HB1 GLN 60 -9.669 -19.797 16.761 429 HG2 GLN 60 HG2 GLN 60 -7.523 -18.844 16.002 430 HG3 GLN 60 HG1 GLN 60 -7.862 -17.389 16.936 431 HE21 GLN 60 HE21 GLN 60 -9.066 -18.913 19.147 432 HE22 GLN 60 HE22 GLN 60 -7.740 -19.632 19.987 433 H GLN 61 HN GLN 61 -10.617 -20.372 14.386 434 HA GLN 61 HA GLN 61 -8.261 -20.551 12.764 435 HB2 GLN 61 HB2 GLN 61 -10.821 -22.172 12.795 436 HB3 GLN 61 HB1 GLN 61 -9.422 -22.567 11.806 437 HG2 GLN 61 HG2 GLN 61 -9.376 -22.387 14.814 438 HG3 GLN 61 HG1 GLN 61 -9.601 -23.879 13.902 439 HE21 GLN 61 HE21 GLN 61 -7.878 -24.713 12.703 440 HE22 GLN 61 HE22 GLN 61 -6.244 -24.241 13.024 441 H CYS 62 HN CYS 62 -11.655 -19.805 12.204 442 HA CYS 62 HA CYS 62 -11.616 -19.925 9.407 443 HB2 CYS 62 HB2 CYS 62 -13.608 -19.800 11.093 444 HB3 CYS 62 HB1 CYS 62 -13.457 -18.060 10.880 445 HG CYS 62 HG CYS 62 -14.647 -20.388 8.764 446 H LEU 63 HN LEU 63 -11.203 -17.119 11.604 447 HA LEU 63 HA LEU 63 -10.838 -15.261 9.476 448 HB2 LEU 63 HB2 LEU 63 -9.829 -13.777 11.268 449 HB3 LEU 63 HB1 LEU 63 -11.487 -14.282 11.501 450 HG LEU 63 HG LEU 63 -10.392 -16.156 13.006 451 HD11 LEU 63 HD11 LEU 63 -8.408 -15.371 14.197 452 HD12 LEU 63 HD12 LEU 63 -8.276 -14.008 13.084 453 HD13 LEU 63 HD13 LEU 63 -8.078 -15.657 12.491 454 HD21 LEU 63 HD21 LEU 63 -10.633 -14.695 14.954 455 HD22 LEU 63 HD22 LEU 63 -11.950 -14.473 13.805 456 HD23 LEU 63 HD23 LEU 63 -10.651 -13.282 13.895 457 H GLN 64 HN GLN 64 -8.604 -17.179 11.407 458 HA GLN 64 HA GLN 64 -6.204 -16.019 10.535 459 HB2 GLN 64 HB2 GLN 64 -6.332 -17.505 12.473 460 HB3 GLN 64 HB1 GLN 64 -6.787 -18.853 11.441 461 HG2 GLN 64 HG2 GLN 64 -4.614 -18.833 10.391 462 HG3 GLN 64 HG1 GLN 64 -4.153 -17.395 11.302 463 HE21 GLN 64 HE21 GLN 64 -4.779 -20.813 11.466 464 HE22 GLN 64 HE22 GLN 64 -4.053 -21.081 13.009 465 H ARG 65 HN ARG 65 -8.268 -18.485 9.135 466 HA ARG 65 HA ARG 65 -6.462 -19.500 7.223 467 HB2 ARG 65 HB2 ARG 65 -8.503 -20.702 7.739 468 HB3 ARG 65 HB1 ARG 65 -9.487 -19.354 7.178 469 HG2 ARG 65 HG2 ARG 65 -8.471 -19.694 4.897 470 HG3 ARG 65 HG1 ARG 65 -7.754 -21.181 5.522 471 HD2 ARG 65 HD2 ARG 65 -9.926 -22.110 5.963 472 HD3 ARG 65 HD1 ARG 65 -10.711 -20.578 5.574 473 HE ARG 65 HE ARG 65 -9.766 -22.577 3.722 474 HH11 ARG 65 HH11 ARG 65 -10.557 -19.181 4.100 475 HH12 ARG 65 HH12 ARG 65 -10.917 -18.951 2.424 476 HH21 ARG 65 HH21 ARG 65 -10.249 -22.273 1.530 477 HH22 ARG 65 HH22 ARG 65 -10.749 -20.719 0.953 478 H ILE 66 HN ILE 66 -8.987 -16.991 6.906 479 HA ILE 66 HA ILE 66 -8.406 -16.538 4.148 480 HB ILE 66 HB ILE 66 -9.847 -14.500 4.403 481 HG12 ILE 66 HG12 ILE 66 -10.262 -15.528 7.222 482 HG13 ILE 66 HG11 ILE 66 -9.305 -14.106 6.824 483 HG21 ILE 66 HG21 ILE 66 -10.793 -16.620 3.709 484 HG22 ILE 66 HG22 ILE 66 -11.924 -15.770 4.759 485 HG23 ILE 66 HG23 ILE 66 -10.981 -17.119 5.392 486 HD11 ILE 66 HD11 ILE 66 -12.251 -14.474 6.316 487 HD12 ILE 66 HD12 ILE 66 -11.307 -13.050 5.876 488 HD13 ILE 66 HD13 ILE 66 -11.518 -13.477 7.573 489 H GLU 67 HN GLU 67 -7.343 -15.056 7.149 490 HA GLU 67 HA GLU 67 -6.181 -12.746 6.015 491 HB2 GLU 67 HB2 GLU 67 -5.603 -14.209 8.593 492 HB3 GLU 67 HB1 GLU 67 -4.854 -12.676 8.159 493 HG2 GLU 67 HG2 GLU 67 -7.818 -13.144 8.485 494 HG3 GLU 67 HG1 GLU 67 -6.757 -12.399 9.680 495 H GLN 68 HN GLN 68 -4.679 -15.841 7.023 496 HA GLN 68 HA GLN 68 -2.091 -15.022 6.141 497 HB2 GLN 68 HB2 GLN 68 -3.042 -17.831 6.734 498 HB3 GLN 68 HB1 GLN 68 -1.374 -17.265 6.706 499 HG2 GLN 68 HG2 GLN 68 -1.937 -15.731 8.591 500 HG3 GLN 68 HG1 GLN 68 -3.526 -16.485 8.669 501 HE21 GLN 68 HE21 GLN 68 -1.588 -16.372 10.740 502 HE22 GLN 68 HE22 GLN 68 -1.149 -18.001 11.129 503 H LEU 69 HN LEU 69 -4.690 -15.711 4.320 504 HA LEU 69 HA LEU 69 -3.156 -16.979 2.157 505 HB2 LEU 69 HB2 LEU 69 -6.135 -16.653 2.544 506 HB3 LEU 69 HB1 LEU 69 -5.411 -17.243 1.056 507 HG LEU 69 HG LEU 69 -5.186 -18.581 3.764 508 HD11 LEU 69 HD11 LEU 69 -7.437 -18.752 2.852 509 HD12 LEU 69 HD12 LEU 69 -6.620 -20.312 2.787 510 HD13 LEU 69 HD13 LEU 69 -6.792 -19.345 1.321 511 HD21 LEU 69 HD21 LEU 69 -4.205 -19.459 1.043 512 HD22 LEU 69 HD22 LEU 69 -4.182 -20.443 2.506 513 HD23 LEU 69 HD23 LEU 69 -3.204 -18.979 2.414 514 H TRP 70 HN TRP 70 -5.666 -14.475 2.486 515 HA TRP 70 HA TRP 70 -4.818 -13.218 0.008 516 HB2 TRP 70 HB2 TRP 70 -7.247 -13.558 0.775 517 HB3 TRP 70 HB1 TRP 70 -6.965 -12.243 1.910 518 HD1 TRP 70 HD1 TRP 70 -6.279 -9.798 0.696 519 HE1 TRP 70 HE1 TRP 70 -7.176 -8.794 -1.501 520 HE3 TRP 70 HE3 TRP 70 -8.115 -14.060 -1.446 521 HZ2 TRP 70 HZ2 TRP 70 -8.503 -9.701 -3.836 522 HZ3 TRP 70 HZ3 TRP 70 -9.179 -13.911 -3.659 523 HH2 TRP 70 HH2 TRP 70 -9.369 -11.777 -4.830 524 H THR 71 HN THR 71 -5.047 -12.398 3.436 525 HA THR 71 HA THR 71 -3.888 -9.786 3.127 526 HB THR 71 HB THR 71 -4.401 -11.286 5.708 527 HG1 THR 71 HG1 THR 71 -6.487 -10.797 5.528 528 HG21 THR 71 HG21 THR 71 -3.095 -9.219 5.933 529 HG22 THR 71 HG22 THR 71 -4.699 -9.037 6.642 530 HG23 THR 71 HG23 THR 71 -4.349 -8.333 5.065 531 H ASP 72 HN ASP 72 -2.637 -12.870 3.234 532 HA ASP 72 HA ASP 72 -0.760 -13.121 5.145 533 HB2 ASP 72 HB2 ASP 72 0.242 -14.776 3.872 534 HB3 ASP 72 HB1 ASP 72 -1.348 -14.667 3.131 535 H MET 73 HN MET 73 -0.410 -11.100 2.278 536 HA MET 73 HA MET 73 2.346 -10.586 2.476 537 HB2 MET 73 HB2 MET 73 0.123 -8.885 1.331 538 HB3 MET 73 HB1 MET 73 1.830 -8.496 1.167 539 HG2 MET 73 HG2 MET 73 2.166 -10.661 0.014 540 HG3 MET 73 HG1 MET 73 0.426 -10.935 0.097 541 HE1 MET 73 HE1 MET 73 -0.770 -8.044 -0.422 542 HE2 MET 73 HE2 MET 73 -1.370 -9.508 -1.201 543 HE3 MET 73 HE3 MET 73 -0.983 -8.087 -2.172 544 H VAL 74 HN VAL 74 2.843 -10.312 4.614 545 HA VAL 74 HA VAL 74 1.767 -8.051 6.094 546 HB VAL 74 HB VAL 74 1.942 -10.063 7.363 547 HG11 VAL 74 HG11 VAL 74 3.512 -11.315 6.050 548 HG12 VAL 74 HG12 VAL 74 4.111 -11.233 7.708 549 HG13 VAL 74 HG13 VAL 74 4.818 -10.204 6.462 550 HG21 VAL 74 HG21 VAL 74 2.531 -8.044 8.604 551 HG22 VAL 74 HG22 VAL 74 4.227 -8.247 8.161 552 HG23 VAL 74 HG23 VAL 74 3.438 -9.431 9.205 553 HA PRO 75 HA PRO 75 5.216 -5.429 4.955 554 HB2 PRO 75 HB2 PRO 75 4.488 -3.790 7.290 555 HB3 PRO 75 HB1 PRO 75 4.440 -3.377 5.576 556 HG2 PRO 75 HG2 PRO 75 2.187 -3.751 7.011 557 HG3 PRO 75 HG1 PRO 75 2.299 -4.194 5.295 558 HD2 PRO 75 HD2 PRO 75 2.484 -5.955 7.724 559 HD3 PRO 75 HD1 PRO 75 1.627 -6.238 6.191 560 H ALA 76 HN ALA 76 6.586 -3.858 6.881 561 HA ALA 76 HA ALA 76 8.740 -5.423 7.522 562 HB1 ALA 76 HB1 ALA 76 7.829 -2.948 8.986 563 HB2 ALA 76 HB2 ALA 76 8.793 -2.987 7.510 564 HB3 ALA 76 HB3 ALA 76 9.460 -3.622 9.012 565 H SER 77 HN SER 77 5.784 -5.125 9.315 566 HA SER 77 HA SER 77 6.474 -5.824 11.874 567 HB2 SER 77 HB2 SER 77 4.180 -5.257 11.144 568 HB3 SER 77 HB1 SER 77 4.062 -6.812 10.322 569 HG SER 77 HG SER 77 3.521 -6.253 12.852 570 H VAL 78 HN VAL 78 6.390 -7.871 9.027 571 HA VAL 78 HA VAL 78 6.332 -10.396 10.152 572 HB VAL 78 HB VAL 78 6.228 -10.073 7.742 573 HG11 VAL 78 HG11 VAL 78 9.149 -9.329 7.882 574 HG12 VAL 78 HG12 VAL 78 7.814 -8.253 7.472 575 HG13 VAL 78 HG13 VAL 78 8.226 -9.592 6.401 576 HG21 VAL 78 HG21 VAL 78 8.577 -11.796 8.548 577 HG22 VAL 78 HG22 VAL 78 7.689 -11.919 7.029 578 HG23 VAL 78 HG23 VAL 78 6.879 -12.273 8.556 579 H ARG 79 HN ARG 79 9.178 -8.326 9.582 580 HA ARG 79 HA ARG 79 10.992 -10.302 10.587 581 HB2 ARG 79 HB2 ARG 79 11.438 -7.347 10.092 582 HB3 ARG 79 HB1 ARG 79 12.698 -8.533 10.415 583 HG2 ARG 79 HG2 ARG 79 11.893 -9.752 8.336 584 HG3 ARG 79 HG1 ARG 79 10.939 -8.308 7.985 585 HD2 ARG 79 HD2 ARG 79 13.020 -8.182 6.782 586 HD3 ARG 79 HD1 ARG 79 13.034 -6.969 8.061 587 HE ARG 79 HE ARG 79 14.238 -9.479 8.807 588 HH11 ARG 79 HH11 ARG 79 14.824 -6.367 7.331 589 HH12 ARG 79 HH12 ARG 79 16.520 -6.377 7.679 590 HH21 ARG 79 HH21 ARG 79 16.470 -9.514 9.244 591 HH22 ARG 79 HH22 ARG 79 17.458 -8.169 8.769 592 H GLU 80 HN GLU 80 9.528 -7.351 11.888 593 HA GLU 80 HA GLU 80 11.017 -7.352 14.304 594 HB2 GLU 80 HB2 GLU 80 9.742 -5.403 13.277 595 HB3 GLU 80 HB1 GLU 80 8.278 -6.131 13.918 596 HG2 GLU 80 HG2 GLU 80 9.028 -5.852 16.169 597 HG3 GLU 80 HG1 GLU 80 10.636 -5.376 15.631 598 H HIS 81 HN HIS 81 8.437 -9.276 13.209 599 HA HIS 81 HA HIS 81 7.714 -10.152 15.922 600 HB2 HIS 81 HB2 HIS 81 6.451 -10.637 13.218 601 HB3 HIS 81 HB1 HIS 81 5.960 -11.520 14.659 602 HD1 HIS 81 HD1 HIS 81 3.623 -10.565 14.804 603 HD2 HIS 81 HD2 HIS 81 6.573 -7.633 14.716 604 HE1 HIS 81 HE1 HIS 81 2.448 -8.403 15.337 605 HE2 HIS 81 HE2 HIS 81 4.233 -6.634 15.151 606 H LEU 82 HN LEU 82 9.417 -11.182 13.057 607 HA LEU 82 HA LEU 82 9.332 -13.984 13.810 608 HB2 LEU 82 HB2 LEU 82 9.162 -13.209 11.437 609 HB3 LEU 82 HB1 LEU 82 10.830 -12.682 11.533 610 HG LEU 82 HG LEU 82 11.555 -15.008 11.912 611 HD11 LEU 82 HD11 LEU 82 9.582 -15.849 13.049 612 HD12 LEU 82 HD12 LEU 82 9.948 -16.846 11.641 613 HD13 LEU 82 HD13 LEU 82 8.629 -15.675 11.576 614 HD21 LEU 82 HD21 LEU 82 11.438 -14.124 9.622 615 HD22 LEU 82 HD22 LEU 82 9.778 -14.703 9.485 616 HD23 LEU 82 HD23 LEU 82 11.103 -15.855 9.669 617 H ASN 83 HN ASN 83 11.738 -11.393 13.566 618 HA ASN 83 HA ASN 83 14.018 -12.859 14.204 619 HB2 ASN 83 HB2 ASN 83 13.342 -9.956 14.732 620 HB3 ASN 83 HB1 ASN 83 14.910 -10.646 15.133 621 HD21 ASN 83 HD21 ASN 83 16.273 -11.339 13.455 622 HD22 ASN 83 HD22 ASN 83 16.068 -10.766 11.836 623 H GLN 84 HN GLN 84 14.496 -14.001 15.913 624 HA GLN 84 HA GLN 84 12.810 -14.184 18.158 625 HB2 GLN 84 HB2 GLN 84 14.168 -16.058 17.315 626 HB3 GLN 84 HB1 GLN 84 15.634 -15.211 17.793 627 HG2 GLN 84 HG2 GLN 84 14.935 -15.335 20.141 628 HG3 GLN 84 HG1 GLN 84 13.475 -16.198 19.653 629 HE21 GLN 84 HE21 GLN 84 16.931 -16.374 19.992 630 HE22 GLN 84 HE22 GLN 84 17.057 -18.095 19.844 631 H HIS 85 HN HIS 85 12.607 -12.276 19.244 632 HA HIS 85 HA HIS 85 14.898 -11.534 20.928 633 HB2 HIS 85 HB2 HIS 85 14.829 -9.795 19.251 634 HB3 HIS 85 HB1 HIS 85 13.086 -9.622 19.422 635 HD1 HIS 85 HD1 HIS 85 12.369 -7.744 20.871 636 HD2 HIS 85 HD2 HIS 85 16.216 -9.021 21.791 637 HE1 HIS 85 HE1 HIS 85 13.194 -6.177 22.650 638 HE2 HIS 85 HE2 HIS 85 15.407 -7.138 23.367 639 H SER 86 HN SER 86 14.383 -11.336 23.039 640 HA SER 86 HA SER 86 11.829 -12.058 24.007 641 HB2 SER 86 HB2 SER 86 13.946 -12.333 25.304 642 HB3 SER 86 HB1 SER 86 14.030 -10.583 25.493 643 HG SER 86 HG SER 86 12.269 -12.433 26.657 644 H GLY 87 HN GLY 87 10.190 -10.794 23.282 645 HA2 GLY 87 HA2 GLY 87 8.749 -8.937 23.711 646 HA3 GLY 87 HA1 GLY 87 10.164 -7.964 24.104 647 HA PRO 88 HA PRO 88 9.998 -8.204 19.323 648 HB2 PRO 88 HB2 PRO 88 7.607 -9.474 18.403 649 HB3 PRO 88 HB1 PRO 88 9.251 -10.109 18.327 650 HG2 PRO 88 HG2 PRO 88 7.194 -11.156 19.880 651 HG3 PRO 88 HG1 PRO 88 8.923 -11.465 20.125 652 HD2 PRO 88 HD2 PRO 88 7.111 -9.551 21.550 653 HD3 PRO 88 HD1 PRO 88 8.449 -10.535 22.191 654 H GLY 89 HN GLY 89 8.204 -7.529 17.465 655 HA2 GLY 89 HA2 GLY 89 7.247 -4.994 18.229 656 HA3 GLY 89 HA1 GLY 89 6.831 -5.842 16.746 657 H ILE 90 HN ILE 90 5.690 -4.723 19.717 658 HA ILE 90 HA ILE 90 3.461 -6.565 19.896 659 HB ILE 90 HB ILE 90 3.876 -3.980 21.427 660 HG12 ILE 90 HG12 ILE 90 5.738 -5.523 21.836 661 HG13 ILE 90 HG11 ILE 90 4.711 -5.412 23.261 662 HG21 ILE 90 HG21 ILE 90 1.559 -4.717 21.457 663 HG22 ILE 90 HG22 ILE 90 2.289 -4.973 23.041 664 HG23 ILE 90 HG23 ILE 90 2.054 -6.337 21.949 665 HD11 ILE 90 HD11 ILE 90 5.407 -7.693 22.887 666 HD12 ILE 90 HD12 ILE 90 4.743 -7.662 21.254 667 HD13 ILE 90 HD13 ILE 90 3.666 -7.551 22.648 668 H ASP 91 HN ASP 91 2.805 -6.162 17.702 669 HA ASP 91 HA ASP 91 0.709 -4.161 17.579 670 HB2 ASP 91 HB2 ASP 91 1.396 -3.346 15.380 671 HB3 ASP 91 HB1 ASP 91 2.655 -3.019 16.558 672 H TYR 92 HN TYR 92 -0.335 -4.579 15.159 673 HA TYR 92 HA TYR 92 -0.434 -7.486 14.787 674 HB2 TYR 92 HB2 TYR 92 -2.892 -7.488 14.789 675 HB3 TYR 92 HB1 TYR 92 -2.240 -6.994 16.344 676 HD1 TYR 92 HD2 TYR 92 -2.234 -4.514 16.918 677 HD2 TYR 92 HD1 TYR 92 -4.402 -6.106 13.615 678 HE1 TYR 92 HE2 TYR 92 -3.648 -2.503 16.885 679 HE2 TYR 92 HE1 TYR 92 -5.823 -4.099 13.574 680 HH TYR 92 HH TYR 92 -5.045 -1.266 15.142 681 H ALA 93 HN ALA 93 -1.452 -8.167 12.839 682 HA ALA 93 HA ALA 93 -1.892 -6.300 10.685 683 HB1 ALA 93 HB1 ALA 93 0.478 -8.186 10.521 684 HB2 ALA 93 HB2 ALA 93 0.614 -6.458 10.841 685 HB3 ALA 93 HB3 ALA 93 -0.039 -7.021 9.302 686 H VAL 94 HN VAL 94 -1.116 -8.576 8.789 687 HA VAL 94 HA VAL 94 -3.236 -10.237 8.529 688 HB VAL 94 HB VAL 94 -1.187 -10.332 7.108 689 HG11 VAL 94 HG11 VAL 94 0.000 -11.862 9.429 690 HG12 VAL 94 HG12 VAL 94 0.500 -10.274 8.847 691 HG13 VAL 94 HG13 VAL 94 0.731 -11.695 7.831 692 HG21 VAL 94 HG21 VAL 94 -2.077 -12.993 8.253 693 HG22 VAL 94 HG22 VAL 94 -1.168 -12.797 6.755 694 HG23 VAL 94 HG23 VAL 94 -2.797 -12.134 6.890 695 H ARG 95 HN ARG 95 -4.134 -11.951 9.662 696 HA ARG 95 HA ARG 95 -3.113 -12.328 12.371 697 HB2 ARG 95 HB2 ARG 95 -5.482 -11.674 12.066 698 HB3 ARG 95 HB1 ARG 95 -5.768 -13.151 11.155 699 HG2 ARG 95 HG2 ARG 95 -6.583 -13.445 13.383 700 HG3 ARG 95 HG1 ARG 95 -5.160 -14.462 13.164 701 HD2 ARG 95 HD2 ARG 95 -5.112 -13.372 15.341 702 HD3 ARG 95 HD1 ARG 95 -3.790 -12.790 14.328 703 HE ARG 95 HE ARG 95 -5.089 -10.762 13.955 704 HH11 ARG 95 HH11 ARG 95 -6.157 -12.796 16.602 705 HH12 ARG 95 HH12 ARG 95 -6.893 -11.492 17.475 706 HH21 ARG 95 HH21 ARG 95 -6.083 -9.044 15.095 707 HH22 ARG 95 HH22 ARG 95 -6.838 -9.361 16.626 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 14.749 -6.097 -2.563 2 H2 MET 1 HT2 MET 1 15.959 -6.374 -3.710 3 H3 MET 1 HT3 MET 1 16.375 -6.111 -2.096 4 HA MET 1 HA MET 1 16.554 -8.437 -2.692 5 HB2 MET 1 HB2 MET 1 14.288 -7.806 -0.777 6 HB3 MET 1 HB1 MET 1 15.088 -9.366 -0.892 7 HG2 MET 1 HG2 MET 1 17.236 -8.206 -0.314 8 HG3 MET 1 HG1 MET 1 16.285 -6.757 0.015 9 HE1 MET 1 HE1 MET 1 14.348 -6.676 1.908 10 HE2 MET 1 HE2 MET 1 13.966 -8.047 2.949 11 HE3 MET 1 HE3 MET 1 13.615 -8.126 1.222 12 H ALA 2 HN ALA 2 14.615 -10.345 -2.393 13 HA ALA 2 HA ALA 2 13.756 -10.754 -4.989 14 HB1 ALA 2 HB1 ALA 2 14.015 -12.542 -3.344 15 HB2 ALA 2 HB2 ALA 2 12.430 -12.604 -4.115 16 HB3 ALA 2 HB3 ALA 2 12.592 -11.960 -2.480 17 H HIS 3 HN HIS 3 12.069 -9.134 -2.377 18 HA HIS 3 HA HIS 3 10.183 -7.868 -2.301 19 HB2 HIS 3 HB2 HIS 3 10.341 -8.192 -5.288 20 HB3 HIS 3 HB1 HIS 3 8.923 -7.462 -4.551 21 HD1 HIS 3 HD1 HIS 3 9.103 -5.051 -3.812 22 HD2 HIS 3 HD2 HIS 3 12.746 -6.667 -4.981 23 HE1 HIS 3 HE1 HIS 3 10.698 -3.113 -3.920 24 HE2 HIS 3 HE2 HIS 3 12.832 -4.094 -4.836 25 H HIS 4 HN HIS 4 10.003 -10.912 -4.033 26 HA HIS 4 HA HIS 4 7.237 -11.369 -3.811 27 HB2 HIS 4 HB2 HIS 4 8.690 -12.697 -5.284 28 HB3 HIS 4 HB1 HIS 4 9.531 -13.354 -3.886 29 HD1 HIS 4 HD1 HIS 4 8.285 -15.152 -2.493 30 HD2 HIS 4 HD2 HIS 4 6.241 -13.891 -5.881 31 HE1 HIS 4 HE1 HIS 4 6.464 -16.848 -2.851 32 HE2 HIS 4 HE2 HIS 4 5.390 -16.174 -5.031 33 H HIS 5 HN HIS 5 6.586 -10.722 -1.735 34 HA HIS 5 HA HIS 5 7.680 -12.250 0.535 35 HB2 HIS 5 HB2 HIS 5 7.865 -9.764 0.649 36 HB3 HIS 5 HB1 HIS 5 6.107 -9.661 0.614 37 HD1 HIS 5 HD1 HIS 5 8.691 -11.497 2.741 38 HD2 HIS 5 HD2 HIS 5 5.108 -9.423 3.110 39 HE1 HIS 5 HE1 HIS 5 8.201 -11.431 5.205 40 HE2 HIS 5 HE2 HIS 5 6.121 -10.020 5.411 41 H HIS 6 HN HIS 6 4.891 -11.885 -1.410 42 HA HIS 6 HA HIS 6 2.965 -12.856 0.468 43 HB2 HIS 6 HB2 HIS 6 2.571 -11.716 -1.851 44 HB3 HIS 6 HB1 HIS 6 2.789 -13.331 -2.512 45 HD1 HIS 6 HD1 HIS 6 0.286 -11.126 -1.118 46 HD2 HIS 6 HD2 HIS 6 0.788 -15.235 -1.421 47 HE1 HIS 6 HE1 HIS 6 -1.987 -12.108 -0.712 48 HE2 HIS 6 HE2 HIS 6 -1.597 -14.591 -0.649 49 H HIS 7 HN HIS 7 3.635 -14.674 1.525 50 HA HIS 7 HA HIS 7 5.332 -16.566 0.106 51 HB2 HIS 7 HB2 HIS 7 5.929 -15.588 2.346 52 HB3 HIS 7 HB1 HIS 7 4.613 -16.522 3.045 53 HD1 HIS 7 HD1 HIS 7 5.856 -18.209 4.416 54 HD2 HIS 7 HD2 HIS 7 7.365 -17.905 0.550 55 HE1 HIS 7 HE1 HIS 7 7.610 -20.000 4.227 56 HE2 HIS 7 HE2 HIS 7 8.600 -19.710 1.934 57 H HIS 8 HN HIS 8 2.073 -16.376 1.165 58 HA HIS 8 HA HIS 8 1.720 -19.287 1.076 59 HB2 HIS 8 HB2 HIS 8 -0.213 -17.036 1.701 60 HB3 HIS 8 HB1 HIS 8 -0.669 -18.736 1.648 61 HD1 HIS 8 HD1 HIS 8 1.505 -16.350 3.615 62 HD2 HIS 8 HD2 HIS 8 -0.160 -20.139 3.962 63 HE1 HIS 8 HE1 HIS 8 1.931 -17.058 5.986 64 HE2 HIS 8 HE2 HIS 8 0.760 -19.273 6.218 65 H MET 9 HN MET 9 0.883 -20.340 -0.647 66 HA MET 9 HA MET 9 -0.401 -18.815 -2.792 67 HB2 MET 9 HB2 MET 9 1.989 -18.957 -3.392 68 HB3 MET 9 HB1 MET 9 1.930 -20.706 -3.225 69 HG2 MET 9 HG2 MET 9 0.308 -20.811 -5.071 70 HG3 MET 9 HG1 MET 9 0.422 -19.061 -5.253 71 HE1 MET 9 HE1 MET 9 2.345 -22.491 -5.536 72 HE2 MET 9 HE2 MET 9 3.333 -21.578 -4.396 73 HE3 MET 9 HE3 MET 9 3.956 -21.947 -6.003 74 H GLY 10 HN GLY 10 -2.058 -19.887 -3.722 75 HA2 GLY 10 HA2 GLY 10 -2.392 -22.555 -4.221 76 HA3 GLY 10 HA1 GLY 10 -2.936 -22.360 -2.559 77 H THR 11 HN THR 11 -4.782 -23.246 -4.239 78 HA THR 11 HA THR 11 -6.252 -21.224 -5.609 79 HB THR 11 HB THR 11 -7.254 -23.916 -4.638 80 HG1 THR 11 HG1 THR 11 -6.499 -24.711 -6.616 81 HG21 THR 11 HG21 THR 11 -8.155 -22.155 -6.933 82 HG22 THR 11 HG22 THR 11 -9.031 -22.420 -5.425 83 HG23 THR 11 HG23 THR 11 -8.791 -23.755 -6.552 84 H LEU 12 HN LEU 12 -7.065 -23.121 -2.688 85 HA LEU 12 HA LEU 12 -8.442 -20.743 -1.612 86 HB2 LEU 12 HB2 LEU 12 -9.363 -23.620 -1.468 87 HB3 LEU 12 HB1 LEU 12 -10.055 -22.325 -0.510 88 HG LEU 12 HG LEU 12 -10.110 -22.486 -3.534 89 HD11 LEU 12 HD11 LEU 12 -12.325 -22.882 -1.515 90 HD12 LEU 12 HD12 LEU 12 -11.562 -24.149 -2.477 91 HD13 LEU 12 HD13 LEU 12 -12.501 -22.887 -3.271 92 HD21 LEU 12 HD21 LEU 12 -10.025 -20.176 -2.721 93 HD22 LEU 12 HD22 LEU 12 -11.396 -20.492 -1.657 94 HD23 LEU 12 HD23 LEU 12 -11.604 -20.556 -3.409 95 H GLU 13 HN GLU 13 -7.838 -23.981 -0.262 96 HA GLU 13 HA GLU 13 -6.885 -22.824 2.187 97 HB2 GLU 13 HB2 GLU 13 -7.181 -25.679 1.240 98 HB3 GLU 13 HB1 GLU 13 -6.471 -25.277 2.797 99 HG2 GLU 13 HG2 GLU 13 -8.842 -25.888 2.973 100 HG3 GLU 13 HG1 GLU 13 -8.530 -24.243 3.524 101 H ALA 14 HN ALA 14 -5.039 -21.717 1.715 102 HA ALA 14 HA ALA 14 -2.654 -23.371 1.159 103 HB1 ALA 14 HB1 ALA 14 -3.044 -20.435 0.521 104 HB2 ALA 14 HB2 ALA 14 -3.113 -21.750 -0.652 105 HB3 ALA 14 HB3 ALA 14 -1.601 -21.392 0.184 106 H GLN 15 HN GLN 15 -4.122 -22.705 3.619 107 HA GLN 15 HA GLN 15 -2.576 -20.833 5.130 108 HB2 GLN 15 HB2 GLN 15 -3.906 -21.657 7.042 109 HB3 GLN 15 HB1 GLN 15 -4.916 -21.224 5.672 110 HG2 GLN 15 HG2 GLN 15 -5.074 -23.604 5.063 111 HG3 GLN 15 HG1 GLN 15 -4.119 -24.016 6.480 112 HE21 GLN 15 HE21 GLN 15 -5.714 -25.220 7.455 113 HE22 GLN 15 HE22 GLN 15 -7.164 -24.529 8.092 114 H THR 16 HN THR 16 -1.508 -21.535 7.214 115 HA THR 16 HA THR 16 0.343 -23.727 6.569 116 HB THR 16 HB THR 16 0.733 -21.528 8.619 117 HG1 THR 16 HG1 THR 16 1.839 -21.519 6.008 118 HG21 THR 16 HG21 THR 16 2.699 -23.326 7.172 119 HG22 THR 16 HG22 THR 16 2.253 -23.431 8.875 120 HG23 THR 16 HG23 THR 16 3.130 -22.022 8.281 121 H GLN 17 HN GLN 17 -2.400 -23.478 8.218 122 HA GLN 17 HA GLN 17 -1.572 -25.364 10.307 123 HB2 GLN 17 HB2 GLN 17 -3.068 -24.213 11.938 124 HB3 GLN 17 HB1 GLN 17 -1.679 -23.244 11.469 125 HG2 GLN 17 HG2 GLN 17 -4.346 -22.906 10.121 126 HG3 GLN 17 HG1 GLN 17 -3.973 -22.106 11.646 127 HE21 GLN 17 HE21 GLN 17 -2.504 -20.419 11.676 128 HE22 GLN 17 HE22 GLN 17 -1.937 -19.651 10.236 129 H GLY 18 HN GLY 18 -3.869 -25.956 11.501 130 HA2 GLY 18 HA2 GLY 18 -5.791 -26.613 9.352 131 HA3 GLY 18 HA1 GLY 18 -5.282 -27.806 10.542 132 HA PRO 19 HA PRO 19 -9.143 -25.554 12.015 133 HB2 PRO 19 HB2 PRO 19 -10.679 -27.767 12.423 134 HB3 PRO 19 HB1 PRO 19 -10.596 -26.932 10.867 135 HG2 PRO 19 HG2 PRO 19 -9.134 -29.393 11.776 136 HG3 PRO 19 HG1 PRO 19 -9.952 -29.091 10.229 137 HD2 PRO 19 HD2 PRO 19 -7.271 -28.875 10.495 138 HD3 PRO 19 HD1 PRO 19 -8.194 -27.823 9.403 139 H GLY 20 HN GLY 20 -7.604 -25.160 13.789 140 HA2 GLY 20 HA2 GLY 20 -7.431 -27.122 15.913 141 HA3 GLY 20 HA1 GLY 20 -6.779 -25.490 15.934 142 H SER 21 HN SER 21 -9.942 -27.148 15.912 143 HA SER 21 HA SER 21 -10.823 -25.284 18.020 144 HB2 SER 21 HB2 SER 21 -11.825 -24.613 15.858 145 HB3 SER 21 HB1 SER 21 -12.497 -26.231 15.673 146 HG SER 21 HG SER 21 -14.116 -25.577 16.828 147 H MET 22 HN MET 22 -11.684 -26.242 19.740 148 HA MET 22 HA MET 22 -12.453 -29.081 19.562 149 HB2 MET 22 HB2 MET 22 -12.005 -29.214 21.971 150 HB3 MET 22 HB1 MET 22 -10.587 -28.658 21.098 151 HG2 MET 22 HG2 MET 22 -11.129 -26.337 21.749 152 HG3 MET 22 HG1 MET 22 -12.488 -26.949 22.691 153 HE1 MET 22 HE1 MET 22 -9.993 -25.093 23.790 154 HE2 MET 22 HE2 MET 22 -9.813 -25.825 25.383 155 HE3 MET 22 HE3 MET 22 -11.424 -25.529 24.726 156 H ASP 23 HN ASP 23 -13.844 -26.343 19.237 157 HA ASP 23 HA ASP 23 -16.117 -26.808 21.058 158 HB2 ASP 23 HB2 ASP 23 -15.021 -24.600 21.299 159 HB3 ASP 23 HB1 ASP 23 -15.343 -24.260 19.601 160 H ASP 24 HN ASP 24 -18.272 -26.501 20.168 161 HA ASP 24 HA ASP 24 -18.392 -27.893 17.629 162 HB2 ASP 24 HB2 ASP 24 -19.726 -28.653 19.581 163 HB3 ASP 24 HB1 ASP 24 -20.652 -27.159 19.504 164 H GLU 25 HN GLU 25 -18.922 -24.646 18.727 165 HA GLU 25 HA GLU 25 -20.714 -23.935 16.587 166 HB2 GLU 25 HB2 GLU 25 -19.068 -22.119 18.367 167 HB3 GLU 25 HB1 GLU 25 -20.412 -21.628 17.342 168 HG2 GLU 25 HG2 GLU 25 -20.541 -23.420 19.759 169 HG3 GLU 25 HG1 GLU 25 -21.130 -21.765 19.640 170 H LEU 26 HN LEU 26 -19.497 -24.801 14.824 171 HA LEU 26 HA LEU 26 -16.928 -23.719 14.160 172 HB2 LEU 26 HB2 LEU 26 -18.849 -25.574 12.802 173 HB3 LEU 26 HB1 LEU 26 -17.558 -24.854 11.863 174 HG LEU 26 HG LEU 26 -15.887 -25.857 13.374 175 HD11 LEU 26 HD11 LEU 26 -18.254 -27.164 14.714 176 HD12 LEU 26 HD12 LEU 26 -17.189 -25.954 15.427 177 HD13 LEU 26 HD13 LEU 26 -16.559 -27.547 15.013 178 HD21 LEU 26 HD21 LEU 26 -16.203 -28.195 12.683 179 HD22 LEU 26 HD22 LEU 26 -16.531 -27.068 11.368 180 HD23 LEU 26 HD23 LEU 26 -17.867 -27.827 12.231 181 H TYR 27 HN TYR 27 -16.476 -22.610 12.169 182 HA TYR 27 HA TYR 27 -18.618 -20.875 11.152 183 HB2 TYR 27 HB2 TYR 27 -15.895 -20.104 12.185 184 HB3 TYR 27 HB1 TYR 27 -16.632 -19.157 10.900 185 HD1 TYR 27 HD1 TYR 27 -17.417 -20.470 14.326 186 HD2 TYR 27 HD2 TYR 27 -17.973 -17.364 11.466 187 HE1 TYR 27 HE1 TYR 27 -18.663 -19.159 15.993 188 HE2 TYR 27 HE2 TYR 27 -19.211 -16.046 13.120 189 HH TYR 27 HH TYR 27 -19.184 -16.710 16.401 190 H PHE 28 HN PHE 28 -18.427 -20.313 8.999 191 HA PHE 28 HA PHE 28 -16.360 -21.717 7.428 192 HB2 PHE 28 HB2 PHE 28 -19.254 -21.712 7.180 193 HB3 PHE 28 HB1 PHE 28 -18.533 -21.033 5.728 194 HD1 PHE 28 HD2 PHE 28 -16.091 -22.561 5.410 195 HD2 PHE 28 HD1 PHE 28 -19.951 -23.849 6.632 196 HE1 PHE 28 HE2 PHE 28 -15.600 -24.821 4.604 197 HE2 PHE 28 HE1 PHE 28 -19.446 -26.127 5.824 198 HZ PHE 28 HZ PHE 28 -17.274 -26.603 4.790 199 H VAL 29 HN VAL 29 -15.733 -20.577 5.410 200 HA VAL 29 HA VAL 29 -15.877 -17.653 5.724 201 HB VAL 29 HB VAL 29 -14.216 -19.422 3.905 202 HG11 VAL 29 HG11 VAL 29 -14.159 -16.414 4.109 203 HG12 VAL 29 HG12 VAL 29 -14.800 -17.341 2.752 204 HG13 VAL 29 HG13 VAL 29 -13.082 -17.415 3.134 205 HG21 VAL 29 HG21 VAL 29 -13.492 -19.421 6.238 206 HG22 VAL 29 HG22 VAL 29 -13.412 -17.659 6.220 207 HG23 VAL 29 HG23 VAL 29 -12.315 -18.601 5.209 208 H VAL 30 HN VAL 30 -17.021 -16.401 4.206 209 HA VAL 30 HA VAL 30 -18.352 -17.897 2.052 210 HB VAL 30 HB VAL 30 -20.492 -16.820 2.492 211 HG11 VAL 30 HG11 VAL 30 -21.090 -18.051 4.548 212 HG12 VAL 30 HG12 VAL 30 -19.376 -18.309 4.873 213 HG13 VAL 30 HG13 VAL 30 -20.117 -19.015 3.435 214 HG21 VAL 30 HG21 VAL 30 -19.218 -15.706 5.002 215 HG22 VAL 30 HG22 VAL 30 -20.919 -15.569 4.547 216 HG23 VAL 30 HG23 VAL 30 -19.679 -14.773 3.578 217 H ARG 31 HN ARG 31 -19.419 -16.519 0.474 218 HA ARG 31 HA ARG 31 -18.773 -13.737 0.267 219 HB2 ARG 31 HB2 ARG 31 -17.328 -14.019 -1.803 220 HB3 ARG 31 HB1 ARG 31 -16.558 -14.458 -0.283 221 HG2 ARG 31 HG2 ARG 31 -16.994 -16.825 -0.740 222 HG3 ARG 31 HG1 ARG 31 -17.765 -16.387 -2.264 223 HD2 ARG 31 HD2 ARG 31 -14.906 -15.696 -1.591 224 HD3 ARG 31 HD1 ARG 31 -15.372 -17.176 -2.430 225 HE ARG 31 HE ARG 31 -16.503 -15.054 -3.819 226 HH11 ARG 31 HH11 ARG 31 -13.284 -16.225 -3.056 227 HH12 ARG 31 HH12 ARG 31 -12.579 -15.581 -4.502 228 HH21 ARG 31 HH21 ARG 31 -15.558 -14.236 -5.735 229 HH22 ARG 31 HH22 ARG 31 -13.858 -14.463 -6.012 230 H ASN 32 HN ASN 32 -19.508 -12.861 -1.904 231 HA ASN 32 HA ASN 32 -20.551 -14.672 -3.849 232 HB2 ASN 32 HB2 ASN 32 -22.883 -13.949 -3.872 233 HB3 ASN 32 HB1 ASN 32 -22.491 -14.702 -2.330 234 HD21 ASN 32 HD21 ASN 32 -21.194 -12.444 -1.138 235 HD22 ASN 32 HD22 ASN 32 -22.408 -11.259 -0.832 236 H ASN 33 HN ASN 33 -20.614 -13.781 -5.797 237 HA ASN 33 HA ASN 33 -20.024 -12.337 -7.454 238 HB2 ASN 33 HB2 ASN 33 -21.736 -10.672 -7.861 239 HB3 ASN 33 HB1 ASN 33 -22.466 -12.138 -7.239 240 HD21 ASN 33 HD21 ASN 33 -23.532 -12.086 -5.297 241 HD22 ASN 33 HD22 ASN 33 -23.822 -10.633 -4.410 242 H GLU 34 HN GLU 34 -18.565 -11.663 -4.816 243 HA GLU 34 HA GLU 34 -18.170 -8.776 -5.281 244 HB2 GLU 34 HB2 GLU 34 -17.481 -8.641 -2.913 245 HB3 GLU 34 HB1 GLU 34 -19.132 -9.211 -3.115 246 HG2 GLU 34 HG2 GLU 34 -18.264 -11.549 -2.836 247 HG3 GLU 34 HG1 GLU 34 -16.706 -10.847 -2.401 248 H GLY 35 HN GLY 35 -16.531 -11.854 -5.014 249 HA2 GLY 35 HA2 GLY 35 -14.345 -12.411 -5.532 250 HA3 GLY 35 HA1 GLY 35 -14.088 -10.747 -6.043 251 H GLN 36 HN GLN 36 -15.411 -10.832 -3.004 252 HA GLN 36 HA GLN 36 -12.801 -10.581 -1.659 253 HB2 GLN 36 HB2 GLN 36 -14.017 -8.437 -1.831 254 HB3 GLN 36 HB1 GLN 36 -15.430 -9.169 -1.089 255 HG2 GLN 36 HG2 GLN 36 -14.316 -7.811 0.529 256 HG3 GLN 36 HG1 GLN 36 -14.131 -9.500 0.985 257 HE21 GLN 36 HE21 GLN 36 -12.560 -7.151 1.729 258 HE22 GLN 36 HE22 GLN 36 -10.929 -7.523 1.286 259 H TYR 37 HN TYR 37 -13.070 -11.062 0.797 260 HA TYR 37 HA TYR 37 -14.715 -13.495 1.028 261 HB2 TYR 37 HB2 TYR 37 -11.956 -12.848 2.024 262 HB3 TYR 37 HB1 TYR 37 -12.926 -14.073 2.840 263 HD1 TYR 37 HD2 TYR 37 -13.990 -15.870 1.317 264 HD2 TYR 37 HD1 TYR 37 -10.636 -13.508 0.183 265 HE1 TYR 37 HE2 TYR 37 -13.381 -17.552 -0.375 266 HE2 TYR 37 HE1 TYR 37 -10.023 -15.181 -1.517 267 HH TYR 37 HH TYR 37 -10.370 -17.478 -2.059 268 H SER 38 HN SER 38 -15.691 -14.023 2.955 269 HA SER 38 HA SER 38 -15.512 -12.220 5.231 270 HB2 SER 38 HB2 SER 38 -18.137 -12.941 3.882 271 HB3 SER 38 HB1 SER 38 -18.008 -12.167 5.461 272 HG SER 38 HG SER 38 -16.559 -10.874 3.544 273 H VAL 39 HN VAL 39 -17.091 -13.294 7.031 274 HA VAL 39 HA VAL 39 -16.756 -16.222 6.860 275 HB VAL 39 HB VAL 39 -16.480 -16.240 9.359 276 HG11 VAL 39 HG11 VAL 39 -14.578 -16.474 7.777 277 HG12 VAL 39 HG12 VAL 39 -14.115 -15.740 9.314 278 HG13 VAL 39 HG13 VAL 39 -14.315 -14.729 7.879 279 HG21 VAL 39 HG21 VAL 39 -17.405 -14.027 9.845 280 HG22 VAL 39 HG22 VAL 39 -16.059 -13.266 8.994 281 HG23 VAL 39 HG23 VAL 39 -15.764 -14.176 10.476 282 H TRP 40 HN TRP 40 -18.207 -17.401 8.382 283 HA TRP 40 HA TRP 40 -20.773 -16.125 8.892 284 HB2 TRP 40 HB2 TRP 40 -20.799 -16.742 6.483 285 HB3 TRP 40 HB1 TRP 40 -20.469 -18.411 6.919 286 HD1 TRP 40 HD1 TRP 40 -22.557 -19.892 6.988 287 HE1 TRP 40 HE1 TRP 40 -25.088 -19.496 7.209 288 HE3 TRP 40 HE3 TRP 40 -22.534 -14.837 7.831 289 HZ2 TRP 40 HZ2 TRP 40 -26.828 -17.359 7.679 290 HZ3 TRP 40 HZ3 TRP 40 -24.690 -13.699 8.168 291 HH2 TRP 40 HH2 TRP 40 -26.796 -14.939 8.094 292 H MET 41 HN MET 41 -22.121 -17.399 10.243 293 HA MET 41 HA MET 41 -20.623 -19.278 11.873 294 HB2 MET 41 HB2 MET 41 -22.016 -17.455 12.883 295 HB3 MET 41 HB1 MET 41 -23.450 -18.258 12.259 296 HG2 MET 41 HG2 MET 41 -23.012 -20.193 13.644 297 HG3 MET 41 HG1 MET 41 -21.502 -19.478 14.211 298 HE1 MET 41 HE1 MET 41 -23.602 -19.241 17.454 299 HE2 MET 41 HE2 MET 41 -22.054 -19.692 16.739 300 HE3 MET 41 HE3 MET 41 -23.520 -20.567 16.296 301 H ASP 42 HN ASP 42 -20.824 -21.431 11.783 302 HA ASP 42 HA ASP 42 -22.287 -22.653 9.688 303 HB2 ASP 42 HB2 ASP 42 -20.214 -23.643 10.437 304 HB3 ASP 42 HB1 ASP 42 -20.844 -23.842 12.068 305 H GLY 43 HN GLY 43 -24.095 -23.925 9.712 306 HA2 GLY 43 HA2 GLY 43 -25.857 -25.100 10.885 307 HA3 GLY 43 HA1 GLY 43 -25.726 -23.910 12.173 308 H ARG 44 HN ARG 44 -25.394 -21.916 9.790 309 HA ARG 44 HA ARG 44 -28.284 -21.422 9.530 310 HB2 ARG 44 HB2 ARG 44 -25.987 -19.508 9.063 311 HB3 ARG 44 HB1 ARG 44 -27.699 -19.103 9.104 312 HG2 ARG 44 HG2 ARG 44 -27.791 -19.691 11.472 313 HG3 ARG 44 HG1 ARG 44 -26.081 -20.128 11.436 314 HD2 ARG 44 HD2 ARG 44 -25.573 -17.788 10.730 315 HD3 ARG 44 HD1 ARG 44 -27.277 -17.396 10.970 316 HE ARG 44 HE ARG 44 -26.100 -18.587 13.291 317 HH11 ARG 44 HH11 ARG 44 -26.482 -15.585 11.540 318 HH12 ARG 44 HH12 ARG 44 -26.179 -14.585 12.923 319 HH21 ARG 44 HH21 ARG 44 -25.689 -17.270 15.121 320 HH22 ARG 44 HH22 ARG 44 -25.731 -15.543 14.958 321 H SER 45 HN SER 45 -29.252 -21.334 7.566 322 HA SER 45 HA SER 45 -27.748 -22.269 5.268 323 HB2 SER 45 HB2 SER 45 -30.043 -22.283 4.190 324 HB3 SER 45 HB1 SER 45 -29.887 -23.306 5.618 325 HG SER 45 HG SER 45 -30.927 -20.662 5.630 326 H LEU 46 HN LEU 46 -26.819 -20.995 3.909 327 HA LEU 46 HA LEU 46 -27.081 -18.184 3.964 328 HB2 LEU 46 HB2 LEU 46 -25.660 -20.134 2.187 329 HB3 LEU 46 HB1 LEU 46 -25.693 -18.431 1.796 330 HG LEU 46 HG LEU 46 -24.596 -19.593 4.359 331 HD11 LEU 46 HD11 LEU 46 -23.142 -18.435 1.984 332 HD12 LEU 46 HD12 LEU 46 -23.245 -20.151 2.386 333 HD13 LEU 46 HD13 LEU 46 -22.419 -19.039 3.473 334 HD21 LEU 46 HD21 LEU 46 -24.524 -16.763 3.289 335 HD22 LEU 46 HD22 LEU 46 -23.737 -17.338 4.758 336 HD23 LEU 46 HD23 LEU 46 -25.496 -17.332 4.649 337 HA PRO 47 HA PRO 47 -30.391 -17.634 1.097 338 HB2 PRO 47 HB2 PRO 47 -29.991 -15.008 0.484 339 HB3 PRO 47 HB1 PRO 47 -30.679 -15.551 2.016 340 HG2 PRO 47 HG2 PRO 47 -27.931 -14.589 1.407 341 HG3 PRO 47 HG1 PRO 47 -28.893 -14.395 2.881 342 HD2 PRO 47 HD2 PRO 47 -26.842 -16.238 2.529 343 HD3 PRO 47 HD1 PRO 47 -28.106 -16.342 3.768 344 H ALA 48 HN ALA 48 -30.834 -17.350 -1.094 345 HA ALA 48 HA ALA 48 -29.137 -18.489 -2.900 346 HB1 ALA 48 HB1 ALA 48 -31.257 -16.436 -3.547 347 HB2 ALA 48 HB2 ALA 48 -31.539 -18.155 -3.285 348 HB3 ALA 48 HB3 ALA 48 -30.580 -17.621 -4.664 349 H GLY 49 HN GLY 49 -27.362 -17.914 -3.945 350 HA2 GLY 49 HA2 GLY 49 -26.196 -16.297 -5.333 351 HA3 GLY 49 HA1 GLY 49 -26.726 -15.040 -4.225 352 H TRP 50 HN TRP 50 -26.161 -16.605 -1.819 353 HA TRP 50 HA TRP 50 -23.382 -15.855 -1.595 354 HB2 TRP 50 HB2 TRP 50 -25.289 -17.122 0.394 355 HB3 TRP 50 HB1 TRP 50 -23.646 -16.609 0.783 356 HD1 TRP 50 HD1 TRP 50 -26.602 -14.784 -1.011 357 HE1 TRP 50 HE1 TRP 50 -26.865 -12.466 0.081 358 HE3 TRP 50 HE3 TRP 50 -22.908 -15.119 2.510 359 HZ2 TRP 50 HZ2 TRP 50 -25.668 -10.978 2.161 360 HZ3 TRP 50 HZ3 TRP 50 -22.531 -13.206 4.016 361 HH2 TRP 50 HH2 TRP 50 -23.885 -11.176 3.843 362 H GLU 51 HN GLU 51 -21.705 -17.284 -0.787 363 HA GLU 51 HA GLU 51 -22.080 -20.134 -1.310 364 HB2 GLU 51 HB2 GLU 51 -20.162 -20.229 -2.831 365 HB3 GLU 51 HB1 GLU 51 -21.419 -19.179 -3.471 366 HG2 GLU 51 HG2 GLU 51 -19.966 -17.323 -2.246 367 HG3 GLU 51 HG1 GLU 51 -18.694 -18.512 -2.494 368 H THR 52 HN THR 52 -20.567 -21.466 -0.318 369 HA THR 52 HA THR 52 -19.142 -20.221 1.922 370 HB THR 52 HB THR 52 -19.060 -22.602 2.808 371 HG1 THR 52 HG1 THR 52 -21.013 -23.089 0.783 372 HG21 THR 52 HG21 THR 52 -21.404 -22.626 3.521 373 HG22 THR 52 HG22 THR 52 -21.802 -21.447 2.272 374 HG23 THR 52 HG23 THR 52 -20.736 -20.995 3.603 375 H VAL 53 HN VAL 53 -17.106 -21.249 2.619 376 HA VAL 53 HA VAL 53 -15.470 -22.716 0.796 377 HB VAL 53 HB VAL 53 -13.710 -20.667 0.843 378 HG11 VAL 53 HG11 VAL 53 -14.293 -20.192 -1.487 379 HG12 VAL 53 HG12 VAL 53 -15.849 -20.993 -1.270 380 HG13 VAL 53 HG13 VAL 53 -14.355 -21.923 -1.155 381 HG21 VAL 53 HG21 VAL 53 -14.756 -18.546 0.343 382 HG22 VAL 53 HG22 VAL 53 -15.321 -19.120 1.913 383 HG23 VAL 53 HG23 VAL 53 -16.362 -19.260 0.496 384 H GLY 54 HN GLY 54 -13.491 -23.314 1.709 385 HA2 GLY 54 HA2 GLY 54 -11.724 -23.100 3.282 386 HA3 GLY 54 HA1 GLY 54 -12.823 -22.280 4.374 387 H GLU 55 HN GLU 55 -11.526 -23.978 5.672 388 HA GLU 55 HA GLU 55 -13.074 -26.466 5.857 389 HB2 GLU 55 HB2 GLU 55 -10.579 -26.624 5.817 390 HB3 GLU 55 HB1 GLU 55 -10.513 -25.636 7.268 391 HG2 GLU 55 HG2 GLU 55 -10.203 -27.916 7.890 392 HG3 GLU 55 HG1 GLU 55 -11.783 -27.395 8.469 393 HA PRO 56 HA PRO 56 -15.413 -24.066 8.799 394 HB2 PRO 56 HB2 PRO 56 -16.891 -26.121 9.862 395 HB3 PRO 56 HB1 PRO 56 -17.266 -25.331 8.332 396 HG2 PRO 56 HG2 PRO 56 -15.781 -27.892 8.826 397 HG3 PRO 56 HG1 PRO 56 -17.045 -27.546 7.627 398 HD2 PRO 56 HD2 PRO 56 -14.475 -27.567 6.916 399 HD3 PRO 56 HD1 PRO 56 -15.580 -26.361 6.248 400 H ALA 57 HN ALA 57 -14.695 -23.336 10.678 401 HA ALA 57 HA ALA 57 -14.026 -25.073 12.882 402 HB1 ALA 57 HB1 ALA 57 -11.931 -25.211 11.631 403 HB2 ALA 57 HB2 ALA 57 -11.697 -24.307 13.128 404 HB3 ALA 57 HB3 ALA 57 -11.821 -23.452 11.590 405 H THR 58 HN THR 58 -13.058 -23.578 14.728 406 HA THR 58 HA THR 58 -15.096 -21.805 15.385 407 HB THR 58 HB THR 58 -13.603 -22.875 17.052 408 HG1 THR 58 HG1 THR 58 -14.816 -21.041 17.670 409 HG21 THR 58 HG21 THR 58 -11.449 -22.553 15.922 410 HG22 THR 58 HG22 THR 58 -11.412 -21.891 17.557 411 HG23 THR 58 HG23 THR 58 -11.572 -20.811 16.171 412 H LYS 59 HN LYS 59 -15.093 -19.507 15.684 413 HA LYS 59 HA LYS 59 -14.599 -17.979 13.490 414 HB2 LYS 59 HB2 LYS 59 -15.985 -17.213 15.336 415 HB3 LYS 59 HB1 LYS 59 -14.584 -17.113 16.393 416 HG2 LYS 59 HG2 LYS 59 -15.241 -14.907 15.675 417 HG3 LYS 59 HG1 LYS 59 -13.665 -15.314 14.990 418 HD2 LYS 59 HD2 LYS 59 -14.718 -15.856 12.853 419 HD3 LYS 59 HD1 LYS 59 -16.310 -15.511 13.534 420 HE2 LYS 59 HE2 LYS 59 -14.050 -13.532 13.212 421 HE3 LYS 59 HE1 LYS 59 -15.482 -13.638 12.192 422 HZ1 LYS 59 HZ1 LYS 59 -15.475 -13.001 15.092 423 HZ2 LYS 59 HZ2 LYS 59 -16.847 -13.099 14.112 424 HZ3 LYS 59 HZ3 LYS 59 -15.698 -11.889 13.839 425 H GLN 60 HN GLN 60 -12.445 -18.440 16.237 426 HA GLN 60 HA GLN 60 -10.372 -16.722 15.621 427 HB2 GLN 60 HB2 GLN 60 -10.452 -17.913 17.713 428 HB3 GLN 60 HB1 GLN 60 -10.351 -19.464 16.897 429 HG2 GLN 60 HG2 GLN 60 -8.060 -18.849 16.140 430 HG3 GLN 60 HG1 GLN 60 -8.180 -17.392 17.129 431 HE21 GLN 60 HE21 GLN 60 -6.385 -19.746 17.303 432 HE22 GLN 60 HE22 GLN 60 -6.570 -20.347 18.912 433 H GLN 61 HN GLN 61 -10.840 -20.073 14.512 434 HA GLN 61 HA GLN 61 -8.423 -20.094 12.961 435 HB2 GLN 61 HB2 GLN 61 -10.793 -21.983 12.943 436 HB3 GLN 61 HB1 GLN 61 -9.264 -22.274 12.125 437 HG2 GLN 61 HG2 GLN 61 -9.663 -21.998 15.100 438 HG3 GLN 61 HG1 GLN 61 -9.398 -23.501 14.219 439 HE21 GLN 61 HE21 GLN 61 -7.931 -20.594 15.426 440 HE22 GLN 61 HE22 GLN 61 -6.293 -21.076 15.171 441 H CYS 62 HN CYS 62 -11.780 -19.353 12.401 442 HA CYS 62 HA CYS 62 -11.826 -19.612 9.596 443 HB2 CYS 62 HB2 CYS 62 -13.810 -19.416 11.223 444 HB3 CYS 62 HB1 CYS 62 -13.554 -17.677 11.143 445 HG CYS 62 HG CYS 62 -14.851 -19.770 8.849 446 H LEU 63 HN LEU 63 -11.353 -16.744 11.678 447 HA LEU 63 HA LEU 63 -10.864 -14.975 9.507 448 HB2 LEU 63 HB2 LEU 63 -9.928 -13.442 11.250 449 HB3 LEU 63 HB1 LEU 63 -11.557 -13.997 11.561 450 HG LEU 63 HG LEU 63 -10.341 -15.786 13.076 451 HD11 LEU 63 HD11 LEU 63 -8.328 -14.911 14.149 452 HD12 LEU 63 HD12 LEU 63 -8.307 -13.557 13.018 453 HD13 LEU 63 HD13 LEU 63 -8.069 -15.202 12.430 454 HD21 LEU 63 HD21 LEU 63 -10.653 -12.896 13.906 455 HD22 LEU 63 HD22 LEU 63 -10.561 -14.282 14.996 456 HD23 LEU 63 HD23 LEU 63 -11.926 -14.119 13.890 457 H GLN 64 HN GLN 64 -8.855 -17.046 11.464 458 HA GLN 64 HA GLN 64 -6.309 -16.135 10.766 459 HB2 GLN 64 HB2 GLN 64 -6.873 -17.808 12.546 460 HB3 GLN 64 HB1 GLN 64 -7.176 -18.990 11.283 461 HG2 GLN 64 HG2 GLN 64 -4.807 -18.745 10.565 462 HG3 GLN 64 HG1 GLN 64 -4.544 -17.679 11.943 463 HE21 GLN 64 HE21 GLN 64 -6.566 -20.571 11.939 464 HE22 GLN 64 HE22 GLN 64 -5.591 -21.477 13.037 465 H ARG 65 HN ARG 65 -8.460 -18.464 9.188 466 HA ARG 65 HA ARG 65 -6.710 -19.470 7.263 467 HB2 ARG 65 HB2 ARG 65 -8.856 -20.523 7.632 468 HB3 ARG 65 HB1 ARG 65 -9.707 -19.061 7.145 469 HG2 ARG 65 HG2 ARG 65 -8.650 -19.336 4.871 470 HG3 ARG 65 HG1 ARG 65 -8.105 -20.927 5.403 471 HD2 ARG 65 HD2 ARG 65 -10.383 -21.645 5.736 472 HD3 ARG 65 HD1 ARG 65 -10.986 -20.023 5.393 473 HE ARG 65 HE ARG 65 -10.014 -21.990 3.462 474 HH11 ARG 65 HH11 ARG 65 -11.094 -18.706 4.038 475 HH12 ARG 65 HH12 ARG 65 -11.474 -18.409 2.375 476 HH21 ARG 65 HH21 ARG 65 -10.522 -21.621 1.294 477 HH22 ARG 65 HH22 ARG 65 -11.147 -20.076 0.800 478 H ILE 66 HN ILE 66 -9.009 -16.752 6.986 479 HA ILE 66 HA ILE 66 -8.315 -16.250 4.260 480 HB ILE 66 HB ILE 66 -9.646 -14.104 4.597 481 HG12 ILE 66 HG12 ILE 66 -10.302 -15.428 7.247 482 HG13 ILE 66 HG11 ILE 66 -9.352 -13.961 7.064 483 HG21 ILE 66 HG21 ILE 66 -10.966 -16.758 5.170 484 HG22 ILE 66 HG22 ILE 66 -10.580 -16.102 3.580 485 HG23 ILE 66 HG23 ILE 66 -11.788 -15.308 4.591 486 HD11 ILE 66 HD11 ILE 66 -12.248 -14.306 6.306 487 HD12 ILE 66 HD12 ILE 66 -11.303 -12.832 6.096 488 HD13 ILE 66 HD13 ILE 66 -11.628 -13.450 7.718 489 H GLU 67 HN GLU 67 -7.247 -14.932 7.344 490 HA GLU 67 HA GLU 67 -5.852 -12.705 6.280 491 HB2 GLU 67 HB2 GLU 67 -5.443 -14.275 8.837 492 HB3 GLU 67 HB1 GLU 67 -4.543 -12.817 8.440 493 HG2 GLU 67 HG2 GLU 67 -7.540 -12.978 8.723 494 HG3 GLU 67 HG1 GLU 67 -6.431 -12.419 9.972 495 H GLN 68 HN GLN 68 -4.862 -16.040 7.015 496 HA GLN 68 HA GLN 68 -2.138 -15.726 6.278 497 HB2 GLN 68 HB2 GLN 68 -3.888 -18.188 6.475 498 HB3 GLN 68 HB1 GLN 68 -2.157 -18.251 6.168 499 HG2 GLN 68 HG2 GLN 68 -3.431 -17.031 8.612 500 HG3 GLN 68 HG1 GLN 68 -2.747 -18.654 8.524 501 HE21 GLN 68 HE21 GLN 68 -2.008 -16.336 10.175 502 HE22 GLN 68 HE22 GLN 68 -0.330 -16.066 9.863 503 H LEU 69 HN LEU 69 -4.736 -15.449 4.321 504 HA LEU 69 HA LEU 69 -3.483 -16.772 2.005 505 HB2 LEU 69 HB2 LEU 69 -6.313 -15.778 2.379 506 HB3 LEU 69 HB1 LEU 69 -5.688 -16.453 0.886 507 HG LEU 69 HG LEU 69 -5.962 -17.931 3.511 508 HD11 LEU 69 HD11 LEU 69 -7.530 -18.171 0.941 509 HD12 LEU 69 HD12 LEU 69 -8.116 -17.492 2.461 510 HD13 LEU 69 HD13 LEU 69 -7.707 -19.205 2.360 511 HD21 LEU 69 HD21 LEU 69 -5.031 -18.904 0.806 512 HD22 LEU 69 HD22 LEU 69 -5.344 -19.923 2.212 513 HD23 LEU 69 HD23 LEU 69 -4.041 -18.737 2.259 514 H TRP 70 HN TRP 70 -5.471 -13.886 2.572 515 HA TRP 70 HA TRP 70 -4.238 -12.506 0.332 516 HB2 TRP 70 HB2 TRP 70 -6.715 -12.451 0.828 517 HB3 TRP 70 HB1 TRP 70 -6.351 -11.507 2.267 518 HD1 TRP 70 HD1 TRP 70 -5.012 -9.051 1.673 519 HE1 TRP 70 HE1 TRP 70 -5.558 -7.412 -0.236 520 HE3 TRP 70 HE3 TRP 70 -7.600 -12.214 -1.403 521 HZ2 TRP 70 HZ2 TRP 70 -6.906 -7.454 -2.715 522 HZ3 TRP 70 HZ3 TRP 70 -8.490 -11.331 -3.523 523 HH2 TRP 70 HH2 TRP 70 -8.149 -9.001 -4.162 524 H THR 71 HN THR 71 -4.693 -11.990 3.790 525 HA THR 71 HA THR 71 -3.087 -9.632 3.896 526 HB THR 71 HB THR 71 -4.064 -11.308 6.221 527 HG1 THR 71 HG1 THR 71 -6.004 -10.295 6.031 528 HG21 THR 71 HG21 THR 71 -4.075 -9.158 7.413 529 HG22 THR 71 HG22 THR 71 -3.458 -8.352 5.970 530 HG23 THR 71 HG23 THR 71 -2.463 -9.542 6.809 531 H ASP 72 HN ASP 72 -2.331 -12.892 3.782 532 HA ASP 72 HA ASP 72 -0.573 -13.517 5.728 533 HB2 ASP 72 HB2 ASP 72 0.213 -15.230 4.420 534 HB3 ASP 72 HB1 ASP 72 -1.266 -14.829 3.558 535 H MET 73 HN MET 73 0.006 -11.369 3.041 536 HA MET 73 HA MET 73 2.792 -11.076 3.241 537 HB2 MET 73 HB2 MET 73 1.466 -10.282 1.311 538 HB3 MET 73 HB1 MET 73 0.731 -9.048 2.324 539 HG2 MET 73 HG2 MET 73 2.923 -8.011 2.652 540 HG3 MET 73 HG1 MET 73 3.661 -9.250 1.640 541 HE1 MET 73 HE1 MET 73 0.180 -7.446 1.131 542 HE2 MET 73 HE2 MET 73 0.657 -6.095 0.103 543 HE3 MET 73 HE3 MET 73 1.231 -6.182 1.767 544 H VAL 74 HN VAL 74 3.166 -11.062 5.467 545 HA VAL 74 HA VAL 74 2.165 -9.055 7.209 546 HB VAL 74 HB VAL 74 2.785 -11.121 8.202 547 HG11 VAL 74 HG11 VAL 74 5.104 -12.012 8.129 548 HG12 VAL 74 HG12 VAL 74 5.513 -10.756 6.963 549 HG13 VAL 74 HG13 VAL 74 4.313 -11.981 6.556 550 HG21 VAL 74 HG21 VAL 74 4.423 -10.500 9.907 551 HG22 VAL 74 HG22 VAL 74 3.293 -9.183 9.598 552 HG23 VAL 74 HG23 VAL 74 4.926 -9.116 8.935 553 HA PRO 75 HA PRO 75 4.845 -5.776 5.921 554 HB2 PRO 75 HB2 PRO 75 4.334 -4.384 8.434 555 HB3 PRO 75 HB1 PRO 75 3.747 -4.000 6.817 556 HG2 PRO 75 HG2 PRO 75 2.153 -4.919 8.837 557 HG3 PRO 75 HG1 PRO 75 1.801 -5.168 7.116 558 HD2 PRO 75 HD2 PRO 75 2.961 -7.062 9.118 559 HD3 PRO 75 HD1 PRO 75 1.822 -7.374 7.792 560 H ALA 76 HN ALA 76 6.149 -4.048 7.809 561 HA ALA 76 HA ALA 76 8.660 -5.228 7.960 562 HB1 ALA 76 HB1 ALA 76 9.299 -3.312 9.334 563 HB2 ALA 76 HB2 ALA 76 7.597 -2.927 9.599 564 HB3 ALA 76 HB3 ALA 76 8.286 -2.809 7.980 565 H SER 77 HN SER 77 5.982 -5.557 10.096 566 HA SER 77 HA SER 77 7.222 -6.085 12.535 567 HB2 SER 77 HB2 SER 77 5.152 -7.305 13.102 568 HB3 SER 77 HB1 SER 77 4.793 -5.789 12.272 569 HG SER 77 HG SER 77 4.556 -8.436 11.357 570 H VAL 78 HN VAL 78 6.979 -8.014 9.657 571 HA VAL 78 HA VAL 78 7.396 -10.581 10.595 572 HB VAL 78 HB VAL 78 6.963 -10.020 8.213 573 HG11 VAL 78 HG11 VAL 78 8.475 -8.135 7.941 574 HG12 VAL 78 HG12 VAL 78 8.842 -9.382 6.749 575 HG13 VAL 78 HG13 VAL 78 9.871 -9.192 8.169 576 HG21 VAL 78 HG21 VAL 78 7.753 -12.256 8.791 577 HG22 VAL 78 HG22 VAL 78 9.426 -11.715 8.664 578 HG23 VAL 78 HG23 VAL 78 8.400 -11.755 7.230 579 H ARG 79 HN ARG 79 9.712 -7.962 10.190 580 HA ARG 79 HA ARG 79 12.059 -9.536 10.507 581 HB2 ARG 79 HB2 ARG 79 11.508 -6.578 10.706 582 HB3 ARG 79 HB1 ARG 79 13.100 -7.233 11.066 583 HG2 ARG 79 HG2 ARG 79 11.656 -7.660 8.449 584 HG3 ARG 79 HG1 ARG 79 12.841 -6.382 8.737 585 HD2 ARG 79 HD2 ARG 79 14.569 -8.005 9.166 586 HD3 ARG 79 HD1 ARG 79 13.405 -9.326 9.104 587 HE ARG 79 HE ARG 79 13.297 -9.110 6.762 588 HH11 ARG 79 HH11 ARG 79 15.521 -6.772 8.155 589 HH12 ARG 79 HH12 ARG 79 16.420 -6.576 6.686 590 HH21 ARG 79 HH21 ARG 79 14.484 -8.846 4.844 591 HH22 ARG 79 HH22 ARG 79 15.822 -7.742 4.796 592 H GLU 80 HN GLU 80 9.812 -8.098 12.727 593 HA GLU 80 HA GLU 80 11.411 -8.239 15.073 594 HB2 GLU 80 HB2 GLU 80 9.335 -6.903 14.930 595 HB3 GLU 80 HB1 GLU 80 8.397 -8.382 14.766 596 HG2 GLU 80 HG2 GLU 80 9.269 -9.065 17.025 597 HG3 GLU 80 HG1 GLU 80 9.950 -7.446 17.172 598 H HIS 81 HN HIS 81 9.111 -10.411 13.514 599 HA HIS 81 HA HIS 81 9.278 -12.469 15.478 600 HB2 HIS 81 HB2 HIS 81 7.384 -12.076 13.837 601 HB3 HIS 81 HB1 HIS 81 8.417 -12.769 12.593 602 HD1 HIS 81 HD1 HIS 81 5.987 -14.268 12.810 603 HD2 HIS 81 HD2 HIS 81 9.074 -14.955 15.508 604 HE1 HIS 81 HE1 HIS 81 5.582 -16.575 13.733 605 HE2 HIS 81 HE2 HIS 81 7.333 -16.870 15.520 606 H LEU 82 HN LEU 82 10.913 -11.809 12.424 607 HA LEU 82 HA LEU 82 12.381 -14.250 12.317 608 HB2 LEU 82 HB2 LEU 82 12.924 -11.562 11.031 609 HB3 LEU 82 HB1 LEU 82 13.828 -13.023 10.682 610 HG LEU 82 HG LEU 82 10.874 -12.629 10.144 611 HD11 LEU 82 HD11 LEU 82 12.311 -11.278 8.675 612 HD12 LEU 82 HD12 LEU 82 11.497 -12.570 7.795 613 HD13 LEU 82 HD13 LEU 82 13.201 -12.732 8.220 614 HD21 LEU 82 HD21 LEU 82 11.046 -14.753 8.919 615 HD22 LEU 82 HD22 LEU 82 11.399 -14.958 10.634 616 HD23 LEU 82 HD23 LEU 82 12.716 -14.925 9.461 617 H ASN 83 HN ASN 83 12.752 -11.285 14.039 618 HA ASN 83 HA ASN 83 15.546 -11.533 14.598 619 HB2 ASN 83 HB2 ASN 83 14.409 -9.352 14.718 620 HB3 ASN 83 HB1 ASN 83 13.399 -9.937 16.034 621 HD21 ASN 83 HD21 ASN 83 14.292 -10.183 18.082 622 HD22 ASN 83 HD22 ASN 83 15.804 -9.470 18.520 623 H GLN 84 HN GLN 84 15.687 -13.726 15.246 624 HA GLN 84 HA GLN 84 14.395 -14.477 17.756 625 HB2 GLN 84 HB2 GLN 84 14.385 -16.080 15.874 626 HB3 GLN 84 HB1 GLN 84 16.143 -16.113 15.898 627 HG2 GLN 84 HG2 GLN 84 16.081 -17.040 18.179 628 HG3 GLN 84 HG1 GLN 84 14.320 -17.032 18.119 629 HE21 GLN 84 HE21 GLN 84 16.158 -19.265 18.481 630 HE22 GLN 84 HE22 GLN 84 15.822 -20.382 17.202 631 H HIS 85 HN HIS 85 15.627 -12.890 18.956 632 HA HIS 85 HA HIS 85 18.409 -13.708 19.491 633 HB2 HIS 85 HB2 HIS 85 16.926 -11.146 20.134 634 HB3 HIS 85 HB1 HIS 85 18.534 -11.513 20.745 635 HD1 HIS 85 HD1 HIS 85 19.221 -9.288 19.442 636 HD2 HIS 85 HD2 HIS 85 18.090 -12.502 17.062 637 HE1 HIS 85 HE1 HIS 85 20.031 -8.735 17.128 638 HE2 HIS 85 HE2 HIS 85 19.198 -10.619 15.681 639 H SER 86 HN SER 86 17.862 -15.535 20.719 640 HA SER 86 HA SER 86 17.337 -16.747 22.568 641 HB2 SER 86 HB2 SER 86 17.374 -14.047 23.958 642 HB3 SER 86 HB1 SER 86 17.403 -15.614 24.768 643 HG SER 86 HG SER 86 19.390 -16.032 23.614 644 H GLY 87 HN GLY 87 15.280 -15.020 20.958 645 HA2 GLY 87 HA2 GLY 87 12.918 -16.166 21.846 646 HA3 GLY 87 HA1 GLY 87 13.030 -14.584 22.619 647 HA PRO 88 HA PRO 88 11.934 -14.050 18.053 648 HB2 PRO 88 HB2 PRO 88 9.633 -15.235 17.491 649 HB3 PRO 88 HB1 PRO 88 11.101 -16.208 17.651 650 HG2 PRO 88 HG2 PRO 88 8.850 -15.847 19.590 651 HG3 PRO 88 HG1 PRO 88 9.789 -17.305 19.219 652 HD2 PRO 88 HD2 PRO 88 10.226 -15.531 21.376 653 HD3 PRO 88 HD1 PRO 88 11.326 -16.811 20.828 654 H GLY 89 HN GLY 89 10.423 -12.562 17.090 655 HA2 GLY 89 HA2 GLY 89 8.919 -10.921 18.931 656 HA3 GLY 89 HA1 GLY 89 9.057 -10.690 17.191 657 H ILE 90 HN ILE 90 6.618 -10.286 18.235 658 HA ILE 90 HA ILE 90 5.126 -12.772 17.660 659 HB ILE 90 HB ILE 90 3.375 -11.855 19.277 660 HG12 ILE 90 HG12 ILE 90 5.735 -10.129 20.108 661 HG13 ILE 90 HG11 ILE 90 4.194 -9.559 19.477 662 HG21 ILE 90 HG21 ILE 90 4.534 -12.785 21.245 663 HG22 ILE 90 HG22 ILE 90 6.058 -12.737 20.360 664 HG23 ILE 90 HG23 ILE 90 4.750 -13.785 19.810 665 HD11 ILE 90 HD11 ILE 90 4.608 -10.978 22.100 666 HD12 ILE 90 HD12 ILE 90 3.065 -10.406 21.469 667 HD13 ILE 90 HD13 ILE 90 4.333 -9.250 21.879 668 H ASP 91 HN ASP 91 4.378 -12.441 15.655 669 HA ASP 91 HA ASP 91 3.540 -9.919 14.643 670 HB2 ASP 91 HB2 ASP 91 3.156 -12.742 13.628 671 HB3 ASP 91 HB1 ASP 91 2.477 -11.350 12.794 672 H TYR 92 HN TYR 92 1.685 -8.899 14.932 673 HA TYR 92 HA TYR 92 -0.764 -10.492 15.324 674 HB2 TYR 92 HB2 TYR 92 -0.076 -7.829 16.607 675 HB3 TYR 92 HB1 TYR 92 -1.674 -8.568 16.657 676 HD1 TYR 92 HD2 TYR 92 -1.410 -11.251 17.355 677 HD2 TYR 92 HD1 TYR 92 1.074 -8.028 18.615 678 HE1 TYR 92 HE2 TYR 92 -0.766 -12.537 19.348 679 HE2 TYR 92 HE1 TYR 92 1.725 -9.308 20.611 680 HH TYR 92 HH TYR 92 1.196 -12.606 20.944 681 H ALA 93 HN ALA 93 0.823 -9.089 13.091 682 HA ALA 93 HA ALA 93 -0.901 -7.155 12.005 683 HB1 ALA 93 HB1 ALA 93 0.452 -7.201 10.042 684 HB2 ALA 93 HB2 ALA 93 1.147 -8.735 10.563 685 HB3 ALA 93 HB3 ALA 93 1.505 -7.255 11.459 686 H VAL 94 HN VAL 94 -0.057 -10.117 11.125 687 HA VAL 94 HA VAL 94 -2.577 -10.699 9.737 688 HB VAL 94 HB VAL 94 -0.615 -10.929 8.281 689 HG11 VAL 94 HG11 VAL 94 1.084 -11.460 9.944 690 HG12 VAL 94 HG12 VAL 94 1.067 -12.676 8.668 691 HG13 VAL 94 HG13 VAL 94 0.337 -13.031 10.234 692 HG21 VAL 94 HG21 VAL 94 -1.836 -13.611 8.965 693 HG22 VAL 94 HG22 VAL 94 -1.044 -13.187 7.448 694 HG23 VAL 94 HG23 VAL 94 -2.550 -12.392 7.906 695 H ARG 95 HN ARG 95 -3.811 -12.338 10.379 696 HA ARG 95 HA ARG 95 -3.173 -13.600 12.936 697 HB2 ARG 95 HB2 ARG 95 -5.777 -13.519 11.375 698 HB3 ARG 95 HB1 ARG 95 -5.567 -14.284 12.943 699 HG2 ARG 95 HG2 ARG 95 -6.580 -12.192 13.352 700 HG3 ARG 95 HG1 ARG 95 -4.893 -12.019 13.836 701 HD2 ARG 95 HD2 ARG 95 -4.435 -10.991 11.602 702 HD3 ARG 95 HD1 ARG 95 -6.167 -11.045 11.279 703 HE ARG 95 HE ARG 95 -5.628 -9.708 13.725 704 HH11 ARG 95 HH11 ARG 95 -5.558 -9.280 10.245 705 HH12 ARG 95 HH12 ARG 95 -5.672 -7.551 10.342 706 HH21 ARG 95 HH21 ARG 95 -5.770 -7.454 13.853 707 HH22 ARG 95 HH22 ARG 95 -5.788 -6.505 12.402 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 9.295 -13.700 -8.737 2 H2 MET 1 HT2 MET 1 9.370 -12.015 -8.679 3 H3 MET 1 HT3 MET 1 10.429 -12.937 -7.738 4 HA MET 1 HA MET 1 11.566 -12.040 -9.647 5 HB2 MET 1 HB2 MET 1 11.066 -15.027 -9.783 6 HB3 MET 1 HB1 MET 1 12.346 -14.203 -10.662 7 HG2 MET 1 HG2 MET 1 13.350 -13.503 -8.543 8 HG3 MET 1 HG1 MET 1 12.070 -14.346 -7.667 9 HE1 MET 1 HE1 MET 1 15.260 -14.807 -7.285 10 HE2 MET 1 HE2 MET 1 15.298 -16.560 -7.103 11 HE3 MET 1 HE3 MET 1 14.033 -15.619 -6.313 12 H ALA 2 HN ALA 2 11.847 -12.092 -11.984 13 HA ALA 2 HA ALA 2 9.504 -11.701 -13.493 14 HB1 ALA 2 HB1 ALA 2 12.254 -12.423 -14.525 15 HB2 ALA 2 HB2 ALA 2 11.716 -10.792 -14.127 16 HB3 ALA 2 HB3 ALA 2 10.950 -11.675 -15.447 17 H HIS 3 HN HIS 3 11.664 -14.480 -13.138 18 HA HIS 3 HA HIS 3 10.007 -16.234 -14.710 19 HB2 HIS 3 HB2 HIS 3 12.209 -16.889 -12.720 20 HB3 HIS 3 HB1 HIS 3 11.472 -18.030 -13.840 21 HD1 HIS 3 HD1 HIS 3 14.374 -16.011 -13.501 22 HD2 HIS 3 HD2 HIS 3 11.887 -17.022 -16.675 23 HE1 HIS 3 HE1 HIS 3 15.708 -15.545 -15.581 24 HE2 HIS 3 HE2 HIS 3 14.180 -16.149 -17.493 25 H HIS 4 HN HIS 4 7.966 -16.206 -13.897 26 HA HIS 4 HA HIS 4 7.268 -16.033 -11.191 27 HB2 HIS 4 HB2 HIS 4 5.696 -17.022 -13.577 28 HB3 HIS 4 HB1 HIS 4 4.992 -16.808 -11.978 29 HD1 HIS 4 HD1 HIS 4 4.137 -14.531 -11.438 30 HD2 HIS 4 HD2 HIS 4 6.692 -14.513 -14.712 31 HE1 HIS 4 HE1 HIS 4 4.063 -12.185 -12.335 32 HE2 HIS 4 HE2 HIS 4 5.769 -12.156 -14.190 33 H HIS 5 HN HIS 5 8.162 -17.484 -9.846 34 HA HIS 5 HA HIS 5 7.361 -20.301 -10.149 35 HB2 HIS 5 HB2 HIS 5 9.770 -19.887 -10.885 36 HB3 HIS 5 HB1 HIS 5 10.118 -19.446 -9.219 37 HD1 HIS 5 HD1 HIS 5 10.474 -21.338 -7.563 38 HD2 HIS 5 HD2 HIS 5 9.174 -22.648 -11.287 39 HE1 HIS 5 HE1 HIS 5 10.743 -23.835 -7.531 40 HE2 HIS 5 HE2 HIS 5 10.106 -24.582 -9.851 41 H HIS 6 HN HIS 6 5.838 -20.245 -8.538 42 HA HIS 6 HA HIS 6 6.761 -20.143 -5.817 43 HB2 HIS 6 HB2 HIS 6 5.328 -18.307 -5.060 44 HB3 HIS 6 HB1 HIS 6 6.475 -17.729 -6.264 45 HD1 HIS 6 HD1 HIS 6 3.256 -16.999 -5.373 46 HD2 HIS 6 HD2 HIS 6 4.903 -18.167 -9.006 47 HE1 HIS 6 HE1 HIS 6 1.641 -16.215 -7.129 48 HE2 HIS 6 HE2 HIS 6 2.566 -17.107 -9.292 49 H HIS 7 HN HIS 7 5.087 -20.757 -4.278 50 HA HIS 7 HA HIS 7 2.715 -21.999 -5.537 51 HB2 HIS 7 HB2 HIS 7 4.385 -23.049 -3.234 52 HB3 HIS 7 HB1 HIS 7 2.811 -23.698 -3.676 53 HD1 HIS 7 HD1 HIS 7 3.952 -23.160 -6.867 54 HD2 HIS 7 HD2 HIS 7 5.240 -25.744 -3.871 55 HE1 HIS 7 HE1 HIS 7 5.170 -25.014 -8.047 56 HE2 HIS 7 HE2 HIS 7 5.854 -26.612 -6.227 57 H HIS 8 HN HIS 8 0.888 -21.115 -4.887 58 HA HIS 8 HA HIS 8 0.169 -20.565 -2.229 59 HB2 HIS 8 HB2 HIS 8 1.808 -18.714 -2.467 60 HB3 HIS 8 HB1 HIS 8 0.906 -18.102 -3.848 61 HD1 HIS 8 HD1 HIS 8 -0.435 -19.187 -0.447 62 HD2 HIS 8 HD2 HIS 8 -0.198 -15.818 -2.872 63 HE1 HIS 8 HE1 HIS 8 -1.760 -17.411 0.732 64 HE2 HIS 8 HE2 HIS 8 -1.384 -15.327 -0.626 65 H MET 9 HN MET 9 -0.868 -21.819 -4.554 66 HA MET 9 HA MET 9 -3.087 -20.076 -5.391 67 HB2 MET 9 HB2 MET 9 -2.164 -22.678 -6.644 68 HB3 MET 9 HB1 MET 9 -3.372 -21.576 -7.290 69 HG2 MET 9 HG2 MET 9 -0.436 -20.979 -6.957 70 HG3 MET 9 HG1 MET 9 -1.247 -21.384 -8.467 71 HE1 MET 9 HE1 MET 9 -3.006 -19.783 -9.684 72 HE2 MET 9 HE2 MET 9 -3.572 -18.264 -8.989 73 HE3 MET 9 HE3 MET 9 -3.986 -19.798 -8.220 74 H GLY 10 HN GLY 10 -5.223 -20.801 -5.232 75 HA2 GLY 10 HA2 GLY 10 -7.013 -22.051 -4.518 76 HA3 GLY 10 HA1 GLY 10 -5.937 -23.440 -4.455 77 H THR 11 HN THR 11 -5.332 -24.200 -2.519 78 HA THR 11 HA THR 11 -5.235 -24.522 -0.287 79 HB THR 11 HB THR 11 -5.076 -21.508 -0.035 80 HG1 THR 11 HG1 THR 11 -3.545 -22.757 -1.541 81 HG21 THR 11 HG21 THR 11 -5.356 -22.734 2.084 82 HG22 THR 11 HG22 THR 11 -3.763 -21.990 1.967 83 HG23 THR 11 HG23 THR 11 -3.948 -23.722 1.693 84 H LEU 12 HN LEU 12 -7.427 -25.291 -0.383 85 HA LEU 12 HA LEU 12 -9.586 -23.494 0.271 86 HB2 LEU 12 HB2 LEU 12 -9.408 -26.450 -0.231 87 HB3 LEU 12 HB1 LEU 12 -10.867 -25.745 0.432 88 HG LEU 12 HG LEU 12 -11.066 -26.047 -1.981 89 HD11 LEU 12 HD11 LEU 12 -11.721 -23.761 -2.594 90 HD12 LEU 12 HD12 LEU 12 -10.880 -23.142 -1.174 91 HD13 LEU 12 HD13 LEU 12 -12.278 -24.200 -0.979 92 HD21 LEU 12 HD21 LEU 12 -8.707 -25.871 -2.598 93 HD22 LEU 12 HD22 LEU 12 -8.724 -24.150 -2.207 94 HD23 LEU 12 HD23 LEU 12 -9.697 -24.762 -3.545 95 H GLU 13 HN GLU 13 -8.422 -26.476 1.911 96 HA GLU 13 HA GLU 13 -9.130 -25.183 4.467 97 HB2 GLU 13 HB2 GLU 13 -8.851 -28.129 3.819 98 HB3 GLU 13 HB1 GLU 13 -9.146 -27.480 5.426 99 HG2 GLU 13 HG2 GLU 13 -11.257 -28.118 4.715 100 HG3 GLU 13 HG1 GLU 13 -11.228 -26.391 4.396 101 H ALA 14 HN ALA 14 -7.667 -25.899 6.346 102 HA ALA 14 HA ALA 14 -4.927 -26.479 5.648 103 HB1 ALA 14 HB1 ALA 14 -5.047 -24.121 5.000 104 HB2 ALA 14 HB2 ALA 14 -3.983 -24.351 6.388 105 HB3 ALA 14 HB3 ALA 14 -5.606 -23.699 6.620 106 H GLN 15 HN GLN 15 -4.765 -28.009 7.170 107 HA GLN 15 HA GLN 15 -5.679 -27.538 9.899 108 HB2 GLN 15 HB2 GLN 15 -4.196 -30.006 9.012 109 HB3 GLN 15 HB1 GLN 15 -5.415 -29.841 10.269 110 HG2 GLN 15 HG2 GLN 15 -5.862 -29.816 7.290 111 HG3 GLN 15 HG1 GLN 15 -6.314 -31.085 8.423 112 HE21 GLN 15 HE21 GLN 15 -7.262 -29.153 10.433 113 HE22 GLN 15 HE22 GLN 15 -8.751 -28.520 9.826 114 H THR 16 HN THR 16 -4.197 -28.069 11.706 115 HA THR 16 HA THR 16 -2.238 -28.276 12.822 116 HB THR 16 HB THR 16 -0.906 -28.307 10.104 117 HG1 THR 16 HG1 THR 16 -2.134 -30.241 11.732 118 HG21 THR 16 HG21 THR 16 0.694 -27.750 11.875 119 HG22 THR 16 HG22 THR 16 0.974 -29.385 11.279 120 HG23 THR 16 HG23 THR 16 0.151 -29.140 12.820 121 H GLN 17 HN GLN 17 -2.631 -25.734 10.478 122 HA GLN 17 HA GLN 17 -0.494 -24.079 11.177 123 HB2 GLN 17 HB2 GLN 17 -1.816 -22.225 10.256 124 HB3 GLN 17 HB1 GLN 17 -1.886 -23.638 9.214 125 HG2 GLN 17 HG2 GLN 17 -4.096 -24.177 10.008 126 HG3 GLN 17 HG1 GLN 17 -4.034 -22.864 11.181 127 HE21 GLN 17 HE21 GLN 17 -5.831 -21.823 10.355 128 HE22 GLN 17 HE22 GLN 17 -5.822 -21.021 8.825 129 H GLY 18 HN GLY 18 -3.667 -24.503 12.659 130 HA2 GLY 18 HA2 GLY 18 -2.950 -22.574 14.770 131 HA3 GLY 18 HA1 GLY 18 -4.578 -23.123 14.399 132 HA PRO 19 HA PRO 19 -2.468 -25.989 17.583 133 HB2 PRO 19 HB2 PRO 19 -2.288 -24.662 19.894 134 HB3 PRO 19 HB1 PRO 19 -1.062 -24.452 18.636 135 HG2 PRO 19 HG2 PRO 19 -3.376 -22.678 19.338 136 HG3 PRO 19 HG1 PRO 19 -1.705 -22.232 18.947 137 HD2 PRO 19 HD2 PRO 19 -3.812 -22.159 17.151 138 HD3 PRO 19 HD1 PRO 19 -2.102 -22.285 16.689 139 H GLY 20 HN GLY 20 -5.299 -24.320 17.230 140 HA2 GLY 20 HA2 GLY 20 -7.401 -25.378 17.690 141 HA3 GLY 20 HA1 GLY 20 -6.702 -26.069 19.147 142 H SER 21 HN SER 21 -9.138 -24.433 18.715 143 HA SER 21 HA SER 21 -8.889 -22.771 21.018 144 HB2 SER 21 HB2 SER 21 -7.866 -21.248 19.344 145 HB3 SER 21 HB1 SER 21 -9.324 -21.363 18.362 146 HG SER 21 HG SER 21 -9.930 -20.671 20.909 147 H MET 22 HN MET 22 -10.478 -24.752 20.934 148 HA MET 22 HA MET 22 -13.051 -24.200 19.767 149 HB2 MET 22 HB2 MET 22 -13.774 -26.225 21.064 150 HB3 MET 22 HB1 MET 22 -12.452 -26.497 19.942 151 HG2 MET 22 HG2 MET 22 -10.883 -26.268 21.898 152 HG3 MET 22 HG1 MET 22 -12.304 -26.292 22.939 153 HE1 MET 22 HE1 MET 22 -10.697 -29.851 23.438 154 HE2 MET 22 HE2 MET 22 -11.232 -28.377 24.244 155 HE3 MET 22 HE3 MET 22 -9.841 -28.335 23.162 156 H ASP 23 HN ASP 23 -13.027 -22.049 20.781 157 HA ASP 23 HA ASP 23 -14.115 -22.065 23.523 158 HB2 ASP 23 HB2 ASP 23 -12.856 -19.793 21.954 159 HB3 ASP 23 HB1 ASP 23 -13.500 -19.664 23.587 160 H ASP 24 HN ASP 24 -15.103 -22.109 20.431 161 HA ASP 24 HA ASP 24 -17.702 -21.055 21.002 162 HB2 ASP 24 HB2 ASP 24 -16.374 -18.978 20.435 163 HB3 ASP 24 HB1 ASP 24 -16.100 -19.654 18.834 164 H GLU 25 HN GLU 25 -19.002 -21.092 18.777 165 HA GLU 25 HA GLU 25 -18.876 -23.783 17.895 166 HB2 GLU 25 HB2 GLU 25 -20.469 -21.459 16.791 167 HB3 GLU 25 HB1 GLU 25 -20.740 -23.153 16.404 168 HG2 GLU 25 HG2 GLU 25 -21.034 -21.882 19.123 169 HG3 GLU 25 HG1 GLU 25 -22.347 -22.342 18.041 170 H LEU 26 HN LEU 26 -19.230 -24.066 15.331 171 HA LEU 26 HA LEU 26 -16.620 -23.438 14.231 172 HB2 LEU 26 HB2 LEU 26 -18.856 -25.247 13.316 173 HB3 LEU 26 HB1 LEU 26 -17.437 -24.941 12.331 174 HG LEU 26 HG LEU 26 -16.015 -25.860 14.154 175 HD11 LEU 26 HD11 LEU 26 -17.061 -27.175 15.950 176 HD12 LEU 26 HD12 LEU 26 -18.645 -26.592 15.440 177 HD13 LEU 26 HD13 LEU 26 -17.448 -25.459 16.065 178 HD21 LEU 26 HD21 LEU 26 -16.666 -28.233 13.825 179 HD22 LEU 26 HD22 LEU 26 -16.572 -27.294 12.337 180 HD23 LEU 26 HD23 LEU 26 -18.146 -27.673 13.040 181 H TYR 27 HN TYR 27 -16.248 -22.470 12.253 182 HA TYR 27 HA TYR 27 -18.399 -20.780 11.146 183 HB2 TYR 27 HB2 TYR 27 -15.568 -20.044 11.913 184 HB3 TYR 27 HB1 TYR 27 -16.454 -19.115 10.716 185 HD1 TYR 27 HD1 TYR 27 -17.243 -20.506 14.123 186 HD2 TYR 27 HD2 TYR 27 -17.233 -17.120 11.540 187 HE1 TYR 27 HE1 TYR 27 -18.221 -19.139 15.919 188 HE2 TYR 27 HE2 TYR 27 -18.203 -15.747 13.324 189 HH TYR 27 HH TYR 27 -18.481 -16.906 16.593 190 H PHE 28 HN PHE 28 -18.016 -20.092 8.950 191 HA PHE 28 HA PHE 28 -16.005 -21.623 7.433 192 HB2 PHE 28 HB2 PHE 28 -18.921 -21.296 6.928 193 HB3 PHE 28 HB1 PHE 28 -17.883 -21.109 5.523 194 HD1 PHE 28 HD1 PHE 28 -15.839 -23.072 5.805 195 HD2 PHE 28 HD2 PHE 28 -19.944 -23.350 6.861 196 HE1 PHE 28 HE1 PHE 28 -15.751 -25.512 5.547 197 HE2 PHE 28 HE2 PHE 28 -19.825 -25.807 6.614 198 HZ PHE 28 HZ PHE 28 -17.744 -26.870 5.939 199 H VAL 29 HN VAL 29 -15.406 -20.521 5.369 200 HA VAL 29 HA VAL 29 -15.578 -17.586 5.594 201 HB VAL 29 HB VAL 29 -13.885 -19.414 3.871 202 HG11 VAL 29 HG11 VAL 29 -14.069 -16.404 3.723 203 HG12 VAL 29 HG12 VAL 29 -14.511 -17.558 2.461 204 HG13 VAL 29 HG13 VAL 29 -12.827 -17.386 2.944 205 HG21 VAL 29 HG21 VAL 29 -13.133 -17.382 5.973 206 HG22 VAL 29 HG22 VAL 29 -12.003 -18.355 5.028 207 HG23 VAL 29 HG23 VAL 29 -13.105 -19.136 6.163 208 H VAL 30 HN VAL 30 -16.809 -16.420 4.110 209 HA VAL 30 HA VAL 30 -18.143 -17.908 1.959 210 HB VAL 30 HB VAL 30 -20.348 -17.027 2.557 211 HG11 VAL 30 HG11 VAL 30 -19.072 -18.516 4.857 212 HG12 VAL 30 HG12 VAL 30 -19.728 -19.239 3.387 213 HG13 VAL 30 HG13 VAL 30 -20.803 -18.417 4.520 214 HG21 VAL 30 HG21 VAL 30 -20.731 -15.923 4.729 215 HG22 VAL 30 HG22 VAL 30 -19.663 -14.979 3.692 216 HG23 VAL 30 HG23 VAL 30 -18.993 -15.919 5.025 217 H ARG 31 HN ARG 31 -19.420 -16.434 0.519 218 HA ARG 31 HA ARG 31 -19.040 -13.593 0.733 219 HB2 ARG 31 HB2 ARG 31 -17.641 -13.208 -1.203 220 HB3 ARG 31 HB1 ARG 31 -16.783 -14.258 -0.083 221 HG2 ARG 31 HG2 ARG 31 -17.275 -16.190 -1.439 222 HG3 ARG 31 HG1 ARG 31 -18.284 -15.222 -2.516 223 HD2 ARG 31 HD2 ARG 31 -16.276 -13.870 -3.092 224 HD3 ARG 31 HD1 ARG 31 -15.302 -14.962 -2.105 225 HE ARG 31 HE ARG 31 -16.716 -16.515 -3.936 226 HH11 ARG 31 HH11 ARG 31 -14.168 -14.092 -3.974 227 HH12 ARG 31 HH12 ARG 31 -13.482 -14.674 -5.458 228 HH21 ARG 31 HH21 ARG 31 -15.802 -17.264 -5.878 229 HH22 ARG 31 HH22 ARG 31 -14.406 -16.464 -6.534 230 H ASN 32 HN ASN 32 -19.892 -12.428 -1.236 231 HA ASN 32 HA ASN 32 -21.200 -13.967 -3.283 232 HB2 ASN 32 HB2 ASN 32 -23.474 -13.258 -2.908 233 HB3 ASN 32 HB1 ASN 32 -22.898 -14.028 -1.436 234 HD21 ASN 32 HD21 ASN 32 -21.369 -11.780 -0.469 235 HD22 ASN 32 HD22 ASN 32 -22.498 -10.566 0.010 236 H ASN 33 HN ASN 33 -21.400 -12.826 -5.115 237 HA ASN 33 HA ASN 33 -21.135 -11.182 -6.660 238 HB2 ASN 33 HB2 ASN 33 -23.409 -10.793 -5.675 239 HB3 ASN 33 HB1 ASN 33 -22.705 -9.536 -4.664 240 HD21 ASN 33 HD21 ASN 33 -23.850 -7.855 -5.541 241 HD22 ASN 33 HD22 ASN 33 -23.643 -7.297 -7.163 242 H GLU 34 HN GLU 34 -19.152 -11.031 -4.191 243 HA GLU 34 HA GLU 34 -18.433 -8.180 -4.459 244 HB2 GLU 34 HB2 GLU 34 -17.465 -8.352 -2.200 245 HB3 GLU 34 HB1 GLU 34 -19.178 -8.754 -2.216 246 HG2 GLU 34 HG2 GLU 34 -18.480 -11.187 -2.327 247 HG3 GLU 34 HG1 GLU 34 -16.842 -10.636 -1.977 248 H GLY 35 HN GLY 35 -17.228 -11.457 -4.554 249 HA2 GLY 35 HA2 GLY 35 -15.271 -12.263 -5.506 250 HA3 GLY 35 HA1 GLY 35 -14.743 -10.606 -5.776 251 H GLN 36 HN GLN 36 -15.368 -10.056 -2.861 252 HA GLN 36 HA GLN 36 -12.770 -10.732 -1.797 253 HB2 GLN 36 HB2 GLN 36 -15.060 -9.276 -0.445 254 HB3 GLN 36 HB1 GLN 36 -13.380 -9.301 0.071 255 HG2 GLN 36 HG2 GLN 36 -12.765 -8.115 -2.017 256 HG3 GLN 36 HG1 GLN 36 -14.476 -8.018 -2.429 257 HE21 GLN 36 HE21 GLN 36 -15.837 -6.692 -1.175 258 HE22 GLN 36 HE22 GLN 36 -15.199 -5.429 -0.182 259 H TYR 37 HN TYR 37 -12.810 -11.428 0.653 260 HA TYR 37 HA TYR 37 -14.720 -13.653 0.910 261 HB2 TYR 37 HB2 TYR 37 -11.769 -13.569 1.393 262 HB3 TYR 37 HB1 TYR 37 -12.757 -14.645 2.379 263 HD1 TYR 37 HD2 TYR 37 -14.650 -15.861 0.817 264 HD2 TYR 37 HD1 TYR 37 -10.763 -14.653 -0.416 265 HE1 TYR 37 HE2 TYR 37 -14.707 -17.542 -0.986 266 HE2 TYR 37 HE1 TYR 37 -10.808 -16.323 -2.227 267 HH TYR 37 HH TYR 37 -13.688 -18.058 -3.068 268 H SER 38 HN SER 38 -15.647 -14.070 2.803 269 HA SER 38 HA SER 38 -15.089 -12.332 5.094 270 HB2 SER 38 HB2 SER 38 -17.847 -13.040 4.037 271 HB3 SER 38 HB1 SER 38 -17.505 -12.050 5.457 272 HG SER 38 HG SER 38 -17.475 -11.391 2.791 273 H VAL 39 HN VAL 39 -16.576 -13.319 7.035 274 HA VAL 39 HA VAL 39 -16.334 -16.259 6.879 275 HB VAL 39 HB VAL 39 -15.910 -16.310 9.319 276 HG11 VAL 39 HG11 VAL 39 -14.047 -16.436 7.732 277 HG12 VAL 39 HG12 VAL 39 -13.560 -15.588 9.206 278 HG13 VAL 39 HG13 VAL 39 -13.911 -14.674 7.737 279 HG21 VAL 39 HG21 VAL 39 -15.257 -14.268 10.505 280 HG22 VAL 39 HG22 VAL 39 -16.922 -14.167 9.933 281 HG23 VAL 39 HG23 VAL 39 -15.646 -13.303 9.076 282 H TRP 40 HN TRP 40 -17.790 -17.418 8.395 283 HA TRP 40 HA TRP 40 -20.346 -16.095 8.873 284 HB2 TRP 40 HB2 TRP 40 -20.251 -16.834 6.454 285 HB3 TRP 40 HB1 TRP 40 -20.123 -18.490 7.027 286 HD1 TRP 40 HD1 TRP 40 -22.351 -19.737 7.291 287 HE1 TRP 40 HE1 TRP 40 -24.831 -19.060 7.319 288 HE3 TRP 40 HE3 TRP 40 -21.813 -14.646 7.324 289 HZ2 TRP 40 HZ2 TRP 40 -26.356 -16.694 7.368 290 HZ3 TRP 40 HZ3 TRP 40 -23.841 -13.248 7.368 291 HH2 TRP 40 HH2 TRP 40 -26.068 -14.258 7.392 292 H MET 41 HN MET 41 -21.737 -17.343 10.213 293 HA MET 41 HA MET 41 -20.297 -19.280 11.858 294 HB2 MET 41 HB2 MET 41 -21.528 -17.381 12.911 295 HB3 MET 41 HB1 MET 41 -23.032 -18.043 12.285 296 HG2 MET 41 HG2 MET 41 -22.705 -20.065 13.620 297 HG3 MET 41 HG1 MET 41 -21.186 -19.413 14.238 298 HE1 MET 41 HE1 MET 41 -23.398 -20.456 16.232 299 HE2 MET 41 HE2 MET 41 -23.390 -19.155 17.422 300 HE3 MET 41 HE3 MET 41 -21.873 -19.721 16.726 301 H ASP 42 HN ASP 42 -20.650 -21.414 11.771 302 HA ASP 42 HA ASP 42 -22.248 -22.637 9.819 303 HB2 ASP 42 HB2 ASP 42 -20.391 -23.848 10.752 304 HB3 ASP 42 HB1 ASP 42 -21.061 -23.735 12.377 305 H GLY 43 HN GLY 43 -24.167 -23.885 10.009 306 HA2 GLY 43 HA2 GLY 43 -26.167 -24.546 11.126 307 HA3 GLY 43 HA1 GLY 43 -25.876 -23.300 12.335 308 H ARG 44 HN ARG 44 -25.207 -21.318 10.252 309 HA ARG 44 HA ARG 44 -27.923 -20.510 9.590 310 HB2 ARG 44 HB2 ARG 44 -25.255 -19.115 9.282 311 HB3 ARG 44 HB1 ARG 44 -26.781 -18.428 8.742 312 HG2 ARG 44 HG2 ARG 44 -27.607 -18.485 11.058 313 HG3 ARG 44 HG1 ARG 44 -26.038 -19.106 11.584 314 HD2 ARG 44 HD2 ARG 44 -24.934 -17.104 10.892 315 HD3 ARG 44 HD1 ARG 44 -26.382 -16.515 10.078 316 HE ARG 44 HE ARG 44 -26.075 -16.750 13.007 317 HH11 ARG 44 HH11 ARG 44 -27.603 -15.331 10.189 318 HH12 ARG 44 HH12 ARG 44 -28.307 -14.019 11.081 319 HH21 ARG 44 HH21 ARG 44 -27.036 -15.022 14.180 320 HH22 ARG 44 HH22 ARG 44 -28.000 -13.852 13.333 321 H SER 45 HN SER 45 -28.748 -21.401 7.793 322 HA SER 45 HA SER 45 -27.185 -22.167 5.529 323 HB2 SER 45 HB2 SER 45 -30.179 -21.708 5.692 324 HB3 SER 45 HB1 SER 45 -29.319 -22.664 4.483 325 HG SER 45 HG SER 45 -28.536 -23.702 6.693 326 H LEU 46 HN LEU 46 -26.617 -21.066 3.817 327 HA LEU 46 HA LEU 46 -26.858 -18.218 3.883 328 HB2 LEU 46 HB2 LEU 46 -25.496 -20.184 2.065 329 HB3 LEU 46 HB1 LEU 46 -25.552 -18.478 1.685 330 HG LEU 46 HG LEU 46 -24.307 -19.686 4.156 331 HD11 LEU 46 HD11 LEU 46 -22.984 -20.138 2.187 332 HD12 LEU 46 HD12 LEU 46 -22.194 -18.900 3.159 333 HD13 LEU 46 HD13 LEU 46 -23.072 -18.446 1.699 334 HD21 LEU 46 HD21 LEU 46 -23.494 -17.421 4.609 335 HD22 LEU 46 HD22 LEU 46 -25.255 -17.480 4.608 336 HD23 LEU 46 HD23 LEU 46 -24.396 -16.812 3.219 337 HA PRO 47 HA PRO 47 -30.281 -17.875 1.050 338 HB2 PRO 47 HB2 PRO 47 -30.045 -15.244 0.443 339 HB3 PRO 47 HB1 PRO 47 -30.633 -15.799 2.014 340 HG2 PRO 47 HG2 PRO 47 -27.919 -14.804 1.249 341 HG3 PRO 47 HG1 PRO 47 -28.858 -14.483 2.718 342 HD2 PRO 47 HD2 PRO 47 -26.817 -16.316 2.571 343 HD3 PRO 47 HD1 PRO 47 -28.154 -16.423 3.733 344 H ALA 48 HN ALA 48 -30.688 -17.543 -1.179 345 HA ALA 48 HA ALA 48 -28.888 -18.648 -2.927 346 HB1 ALA 48 HB1 ALA 48 -30.322 -17.841 -4.730 347 HB2 ALA 48 HB2 ALA 48 -31.088 -16.697 -3.626 348 HB3 ALA 48 HB3 ALA 48 -31.288 -18.431 -3.378 349 H GLY 49 HN GLY 49 -27.051 -17.988 -3.809 350 HA2 GLY 49 HA2 GLY 49 -25.934 -16.312 -5.210 351 HA3 GLY 49 HA1 GLY 49 -26.573 -15.083 -4.128 352 H TRP 50 HN TRP 50 -25.997 -16.669 -1.704 353 HA TRP 50 HA TRP 50 -23.231 -15.863 -1.402 354 HB2 TRP 50 HB2 TRP 50 -25.254 -17.055 0.501 355 HB3 TRP 50 HB1 TRP 50 -23.575 -16.790 0.960 356 HD1 TRP 50 HD1 TRP 50 -26.451 -14.605 -0.521 357 HE1 TRP 50 HE1 TRP 50 -26.330 -12.297 0.616 358 HE3 TRP 50 HE3 TRP 50 -22.344 -15.368 2.427 359 HZ2 TRP 50 HZ2 TRP 50 -24.706 -10.979 2.513 360 HZ3 TRP 50 HZ3 TRP 50 -21.569 -13.532 3.873 361 HH2 TRP 50 HH2 TRP 50 -22.729 -11.383 3.913 362 H GLU 51 HN GLU 51 -21.476 -17.202 -0.936 363 HA GLU 51 HA GLU 51 -21.860 -20.100 -1.296 364 HB2 GLU 51 HB2 GLU 51 -19.858 -20.184 -2.738 365 HB3 GLU 51 HB1 GLU 51 -21.150 -19.227 -3.453 366 HG2 GLU 51 HG2 GLU 51 -19.989 -17.193 -2.530 367 HG3 GLU 51 HG1 GLU 51 -18.628 -18.240 -2.151 368 H THR 52 HN THR 52 -20.089 -21.376 -0.542 369 HA THR 52 HA THR 52 -18.871 -20.232 1.893 370 HB THR 52 HB THR 52 -18.970 -22.663 2.712 371 HG1 THR 52 HG1 THR 52 -19.622 -23.231 0.335 372 HG21 THR 52 HG21 THR 52 -20.510 -20.935 3.546 373 HG22 THR 52 HG22 THR 52 -21.301 -22.505 3.426 374 HG23 THR 52 HG23 THR 52 -21.610 -21.268 2.207 375 H VAL 53 HN VAL 53 -16.907 -21.322 2.661 376 HA VAL 53 HA VAL 53 -15.349 -22.992 0.934 377 HB VAL 53 HB VAL 53 -13.455 -21.024 1.017 378 HG11 VAL 53 HG11 VAL 53 -13.855 -20.715 -1.384 379 HG12 VAL 53 HG12 VAL 53 -15.431 -21.494 -1.221 380 HG13 VAL 53 HG13 VAL 53 -13.956 -22.413 -0.913 381 HG21 VAL 53 HG21 VAL 53 -14.427 -18.934 0.218 382 HG22 VAL 53 HG22 VAL 53 -15.016 -19.330 1.829 383 HG23 VAL 53 HG23 VAL 53 -16.050 -19.592 0.426 384 H GLY 54 HN GLY 54 -13.635 -23.911 1.979 385 HA2 GLY 54 HA2 GLY 54 -11.837 -23.878 3.550 386 HA3 GLY 54 HA1 GLY 54 -12.766 -22.775 4.553 387 H GLU 55 HN GLU 55 -12.090 -24.379 6.192 388 HA GLU 55 HA GLU 55 -13.848 -26.723 6.327 389 HB2 GLU 55 HB2 GLU 55 -12.366 -27.427 8.164 390 HB3 GLU 55 HB1 GLU 55 -11.453 -27.133 6.690 391 HG2 GLU 55 HG2 GLU 55 -10.828 -24.902 7.560 392 HG3 GLU 55 HG1 GLU 55 -11.678 -25.278 9.058 393 HA PRO 56 HA PRO 56 -16.209 -24.492 9.433 394 HB2 PRO 56 HB2 PRO 56 -17.276 -26.602 10.787 395 HB3 PRO 56 HB1 PRO 56 -17.907 -26.006 9.255 396 HG2 PRO 56 HG2 PRO 56 -16.124 -28.350 9.784 397 HG3 PRO 56 HG1 PRO 56 -17.486 -28.212 8.656 398 HD2 PRO 56 HD2 PRO 56 -14.912 -28.025 7.851 399 HD3 PRO 56 HD1 PRO 56 -16.206 -27.148 7.052 400 H ALA 57 HN ALA 57 -14.879 -23.537 10.780 401 HA ALA 57 HA ALA 57 -13.641 -25.017 12.965 402 HB1 ALA 57 HB1 ALA 57 -11.998 -23.380 11.028 403 HB2 ALA 57 HB2 ALA 57 -12.009 -25.140 11.130 404 HB3 ALA 57 HB3 ALA 57 -11.405 -24.183 12.482 405 H THR 58 HN THR 58 -12.502 -23.500 14.477 406 HA THR 58 HA THR 58 -14.377 -21.610 15.354 407 HB THR 58 HB THR 58 -12.876 -22.795 16.889 408 HG1 THR 58 HG1 THR 58 -13.339 -21.127 18.093 409 HG21 THR 58 HG21 THR 58 -10.526 -22.141 17.123 410 HG22 THR 58 HG22 THR 58 -10.684 -21.031 15.763 411 HG23 THR 58 HG23 THR 58 -10.835 -22.769 15.501 412 H LYS 59 HN LYS 59 -13.829 -19.356 15.965 413 HA LYS 59 HA LYS 59 -13.623 -17.635 13.852 414 HB2 LYS 59 HB2 LYS 59 -14.414 -16.978 16.068 415 HB3 LYS 59 HB1 LYS 59 -12.805 -17.185 16.737 416 HG2 LYS 59 HG2 LYS 59 -13.209 -14.853 16.471 417 HG3 LYS 59 HG1 LYS 59 -12.015 -15.339 15.266 418 HD2 LYS 59 HD2 LYS 59 -13.680 -15.321 13.522 419 HD3 LYS 59 HD1 LYS 59 -14.973 -15.057 14.695 420 HE2 LYS 59 HE2 LYS 59 -14.003 -12.871 15.258 421 HE3 LYS 59 HE1 LYS 59 -12.718 -13.143 14.081 422 HZ1 LYS 59 HZ1 LYS 59 -14.518 -11.732 13.231 423 HZ2 LYS 59 HZ2 LYS 59 -15.611 -13.006 13.418 424 HZ3 LYS 59 HZ3 LYS 59 -14.332 -13.141 12.319 425 H GLN 60 HN GLN 60 -10.983 -18.579 16.051 426 HA GLN 60 HA GLN 60 -8.944 -17.027 14.990 427 HB2 GLN 60 HB2 GLN 60 -8.768 -18.268 17.099 428 HB3 GLN 60 HB1 GLN 60 -8.742 -19.789 16.219 429 HG2 GLN 60 HG2 GLN 60 -6.620 -19.190 15.194 430 HG3 GLN 60 HG1 GLN 60 -6.655 -17.620 15.993 431 HE21 GLN 60 HE21 GLN 60 -7.672 -18.654 18.507 432 HE22 GLN 60 HE22 GLN 60 -6.372 -19.512 19.247 433 H GLN 61 HN GLN 61 -10.120 -20.183 13.933 434 HA GLN 61 HA GLN 61 -8.025 -20.583 12.019 435 HB2 GLN 61 HB2 GLN 61 -10.568 -21.985 12.721 436 HB3 GLN 61 HB1 GLN 61 -9.878 -22.291 11.135 437 HG2 GLN 61 HG2 GLN 61 -8.389 -22.646 13.728 438 HG3 GLN 61 HG1 GLN 61 -9.219 -23.942 12.866 439 HE21 GLN 61 HE21 GLN 61 -8.379 -24.665 10.880 440 HE22 GLN 61 HE22 GLN 61 -6.754 -24.329 10.398 441 H CYS 62 HN CYS 62 -11.388 -19.421 11.845 442 HA CYS 62 HA CYS 62 -11.499 -19.405 9.022 443 HB2 CYS 62 HB2 CYS 62 -13.508 -17.999 9.281 444 HB3 CYS 62 HB1 CYS 62 -13.533 -19.397 10.346 445 HG CYS 62 HG CYS 62 -14.212 -17.993 12.356 446 H LEU 63 HN LEU 63 -10.735 -16.799 11.351 447 HA LEU 63 HA LEU 63 -10.305 -14.847 9.320 448 HB2 LEU 63 HB2 LEU 63 -9.164 -13.514 11.083 449 HB3 LEU 63 HB1 LEU 63 -10.779 -14.045 11.514 450 HG LEU 63 HG LEU 63 -9.490 -15.981 12.763 451 HD11 LEU 63 HD11 LEU 63 -7.347 -15.266 13.688 452 HD12 LEU 63 HD12 LEU 63 -7.375 -13.831 12.663 453 HD13 LEU 63 HD13 LEU 63 -7.264 -15.433 11.935 454 HD21 LEU 63 HD21 LEU 63 -10.909 -14.300 13.832 455 HD22 LEU 63 HD22 LEU 63 -9.565 -13.157 13.828 456 HD23 LEU 63 HD23 LEU 63 -9.466 -14.632 14.790 457 H GLN 64 HN GLN 64 -8.191 -17.112 10.995 458 HA GLN 64 HA GLN 64 -5.748 -16.094 10.049 459 HB2 GLN 64 HB2 GLN 64 -5.925 -17.632 11.954 460 HB3 GLN 64 HB1 GLN 64 -6.459 -18.919 10.884 461 HG2 GLN 64 HG2 GLN 64 -4.309 -18.939 9.776 462 HG3 GLN 64 HG1 GLN 64 -3.766 -17.573 10.745 463 HE21 GLN 64 HE21 GLN 64 -4.984 -18.560 13.211 464 HE22 GLN 64 HE22 GLN 64 -4.009 -19.885 13.729 465 H ARG 65 HN ARG 65 -8.073 -18.344 8.665 466 HA ARG 65 HA ARG 65 -6.428 -19.518 6.724 467 HB2 ARG 65 HB2 ARG 65 -8.626 -20.444 7.187 468 HB3 ARG 65 HB1 ARG 65 -9.406 -18.966 6.625 469 HG2 ARG 65 HG2 ARG 65 -8.336 -19.405 4.373 470 HG3 ARG 65 HG1 ARG 65 -7.894 -20.997 4.990 471 HD2 ARG 65 HD2 ARG 65 -10.257 -21.509 5.362 472 HD3 ARG 65 HD1 ARG 65 -10.700 -19.905 4.765 473 HE ARG 65 HE ARG 65 -9.308 -21.910 3.100 474 HH11 ARG 65 HH11 ARG 65 -11.858 -19.549 3.521 475 HH12 ARG 65 HH12 ARG 65 -12.362 -19.616 1.866 476 HH21 ARG 65 HH21 ARG 65 -9.953 -21.993 0.927 477 HH22 ARG 65 HH22 ARG 65 -11.273 -21.011 0.380 478 H ILE 66 HN ILE 66 -8.610 -16.718 6.445 479 HA ILE 66 HA ILE 66 -7.887 -16.263 3.718 480 HB ILE 66 HB ILE 66 -9.172 -14.083 4.012 481 HG12 ILE 66 HG12 ILE 66 -9.861 -15.354 6.679 482 HG13 ILE 66 HG11 ILE 66 -8.937 -13.872 6.464 483 HG21 ILE 66 HG21 ILE 66 -10.597 -16.677 4.627 484 HG22 ILE 66 HG22 ILE 66 -10.131 -16.105 3.023 485 HG23 ILE 66 HG23 ILE 66 -11.332 -15.217 3.962 486 HD11 ILE 66 HD11 ILE 66 -11.205 -13.349 7.083 487 HD12 ILE 66 HD12 ILE 66 -11.832 -14.309 5.739 488 HD13 ILE 66 HD13 ILE 66 -10.922 -12.833 5.419 489 H GLU 67 HN GLU 67 -6.863 -14.932 6.812 490 HA GLU 67 HA GLU 67 -5.282 -12.834 5.821 491 HB2 GLU 67 HB2 GLU 67 -5.006 -14.535 8.300 492 HB3 GLU 67 HB1 GLU 67 -3.928 -13.188 7.950 493 HG2 GLU 67 HG2 GLU 67 -6.922 -13.020 8.306 494 HG3 GLU 67 HG1 GLU 67 -5.706 -12.537 9.486 495 H GLN 68 HN GLN 68 -4.523 -16.264 6.374 496 HA GLN 68 HA GLN 68 -1.816 -16.043 5.459 497 HB2 GLN 68 HB2 GLN 68 -3.567 -18.500 5.737 498 HB3 GLN 68 HB1 GLN 68 -1.825 -18.508 5.493 499 HG2 GLN 68 HG2 GLN 68 -3.252 -17.358 7.886 500 HG3 GLN 68 HG1 GLN 68 -2.450 -18.925 7.828 501 HE21 GLN 68 HE21 GLN 68 -1.961 -16.622 9.547 502 HE22 GLN 68 HE22 GLN 68 -0.301 -16.201 9.317 503 H LEU 69 HN LEU 69 -4.561 -15.658 3.790 504 HA LEU 69 HA LEU 69 -3.582 -16.936 1.329 505 HB2 LEU 69 HB2 LEU 69 -6.311 -15.867 2.055 506 HB3 LEU 69 HB1 LEU 69 -5.877 -16.358 0.428 507 HG LEU 69 HG LEU 69 -5.917 -18.163 2.857 508 HD11 LEU 69 HD11 LEU 69 -7.826 -19.238 1.762 509 HD12 LEU 69 HD12 LEU 69 -7.786 -18.017 0.488 510 HD13 LEU 69 HD13 LEU 69 -8.158 -17.548 2.148 511 HD21 LEU 69 HD21 LEU 69 -5.530 -19.985 1.264 512 HD22 LEU 69 HD22 LEU 69 -4.191 -18.839 1.269 513 HD23 LEU 69 HD23 LEU 69 -5.371 -18.811 -0.042 514 H TRP 70 HN TRP 70 -5.315 -13.931 2.169 515 HA TRP 70 HA TRP 70 -4.178 -12.597 -0.148 516 HB2 TRP 70 HB2 TRP 70 -6.057 -11.517 1.966 517 HB3 TRP 70 HB1 TRP 70 -5.681 -10.760 0.421 518 HD1 TRP 70 HD1 TRP 70 -7.934 -13.335 2.003 519 HE1 TRP 70 HE1 TRP 70 -9.529 -14.289 0.229 520 HE3 TRP 70 HE3 TRP 70 -5.773 -11.356 -2.195 521 HZ2 TRP 70 HZ2 TRP 70 -9.833 -14.229 -2.577 522 HZ3 TRP 70 HZ3 TRP 70 -6.779 -11.859 -4.384 523 HH2 TRP 70 HH2 TRP 70 -8.768 -13.265 -4.570 524 H THR 71 HN THR 71 -4.126 -12.256 3.364 525 HA THR 71 HA THR 71 -2.339 -10.006 3.308 526 HB THR 71 HB THR 71 -3.122 -11.629 5.737 527 HG1 THR 71 HG1 THR 71 -4.930 -10.210 5.887 528 HG21 THR 71 HG21 THR 71 -2.868 -9.485 6.894 529 HG22 THR 71 HG22 THR 71 -2.443 -8.710 5.366 530 HG23 THR 71 HG23 THR 71 -1.377 -9.934 6.057 531 H ASP 72 HN ASP 72 -1.959 -13.313 3.007 532 HA ASP 72 HA ASP 72 -0.090 -14.206 4.739 533 HB2 ASP 72 HB2 ASP 72 0.376 -15.946 3.303 534 HB3 ASP 72 HB1 ASP 72 -1.160 -15.382 2.656 535 H MET 73 HN MET 73 0.501 -12.217 1.892 536 HA MET 73 HA MET 73 3.294 -12.145 1.951 537 HB2 MET 73 HB2 MET 73 1.999 -11.239 0.078 538 HB3 MET 73 HB1 MET 73 1.353 -9.971 1.113 539 HG2 MET 73 HG2 MET 73 3.146 -9.151 -0.328 540 HG3 MET 73 HG1 MET 73 3.574 -9.025 1.378 541 HE1 MET 73 HE1 MET 73 5.748 -8.726 -0.853 542 HE2 MET 73 HE2 MET 73 7.045 -9.751 -0.237 543 HE3 MET 73 HE3 MET 73 6.139 -8.718 0.866 544 H VAL 74 HN VAL 74 4.016 -12.050 4.051 545 HA VAL 74 HA VAL 74 3.258 -9.794 5.718 546 HB VAL 74 HB VAL 74 3.297 -11.942 6.816 547 HG11 VAL 74 HG11 VAL 74 4.856 -13.125 5.400 548 HG12 VAL 74 HG12 VAL 74 5.378 -13.237 7.082 549 HG13 VAL 74 HG13 VAL 74 6.190 -12.125 5.977 550 HG21 VAL 74 HG21 VAL 74 3.942 -10.014 8.167 551 HG22 VAL 74 HG22 VAL 74 5.633 -10.249 7.722 552 HG23 VAL 74 HG23 VAL 74 4.799 -11.459 8.699 553 HA PRO 75 HA PRO 75 6.899 -7.602 4.392 554 HB2 PRO 75 HB2 PRO 75 6.512 -5.397 5.934 555 HB3 PRO 75 HB1 PRO 75 5.573 -5.723 4.477 556 HG2 PRO 75 HG2 PRO 75 4.816 -6.038 7.334 557 HG3 PRO 75 HG1 PRO 75 3.814 -5.583 5.948 558 HD2 PRO 75 HD2 PRO 75 3.905 -8.113 7.113 559 HD3 PRO 75 HD1 PRO 75 3.287 -7.753 5.491 560 H ALA 76 HN ALA 76 8.270 -5.862 6.090 561 HA ALA 76 HA ALA 76 10.105 -7.507 7.381 562 HB1 ALA 76 HB1 ALA 76 10.986 -5.464 8.392 563 HB2 ALA 76 HB2 ALA 76 9.517 -4.599 7.933 564 HB3 ALA 76 HB3 ALA 76 10.601 -5.222 6.686 565 H SER 77 HN SER 77 7.031 -6.452 8.432 566 HA SER 77 HA SER 77 7.329 -6.438 11.213 567 HB2 SER 77 HB2 SER 77 4.852 -6.825 11.212 568 HB3 SER 77 HB1 SER 77 5.360 -5.499 10.168 569 HG SER 77 HG SER 77 3.830 -6.952 9.196 570 H VAL 78 HN VAL 78 7.455 -9.031 8.988 571 HA VAL 78 HA VAL 78 6.523 -11.195 10.460 572 HB VAL 78 HB VAL 78 7.272 -11.376 8.118 573 HG11 VAL 78 HG11 VAL 78 10.069 -11.182 9.237 574 HG12 VAL 78 HG12 VAL 78 9.269 -9.985 8.220 575 HG13 VAL 78 HG13 VAL 78 9.656 -11.577 7.567 576 HG21 VAL 78 HG21 VAL 78 8.369 -13.575 8.295 577 HG22 VAL 78 HG22 VAL 78 7.033 -13.410 9.434 578 HG23 VAL 78 HG23 VAL 78 8.697 -13.263 10.001 579 H ARG 79 HN ARG 79 9.570 -9.451 10.671 580 HA ARG 79 HA ARG 79 10.779 -11.242 12.547 581 HB2 ARG 79 HB2 ARG 79 11.453 -8.378 11.841 582 HB3 ARG 79 HB1 ARG 79 12.456 -9.436 12.824 583 HG2 ARG 79 HG2 ARG 79 11.725 -9.919 9.934 584 HG3 ARG 79 HG1 ARG 79 13.260 -9.267 10.510 585 HD2 ARG 79 HD2 ARG 79 12.132 -12.007 11.103 586 HD3 ARG 79 HD1 ARG 79 13.482 -11.637 10.032 587 HE ARG 79 HE ARG 79 13.524 -11.787 12.912 588 HH11 ARG 79 HH11 ARG 79 15.165 -10.522 10.073 589 HH12 ARG 79 HH12 ARG 79 16.696 -10.391 10.880 590 HH21 ARG 79 HH21 ARG 79 15.555 -11.613 13.935 591 HH22 ARG 79 HH22 ARG 79 16.920 -11.010 13.050 592 H GLU 80 HN GLU 80 9.156 -8.103 12.774 593 HA GLU 80 HA GLU 80 9.730 -7.673 15.513 594 HB2 GLU 80 HB2 GLU 80 9.088 -5.929 13.788 595 HB3 GLU 80 HB1 GLU 80 7.430 -6.488 13.941 596 HG2 GLU 80 HG2 GLU 80 7.694 -4.532 15.280 597 HG3 GLU 80 HG1 GLU 80 7.515 -5.916 16.360 598 H HIS 81 HN HIS 81 6.912 -8.932 13.815 599 HA HIS 81 HA HIS 81 5.264 -9.168 16.142 600 HB2 HIS 81 HB2 HIS 81 4.388 -8.837 13.819 601 HB3 HIS 81 HB1 HIS 81 4.926 -10.469 13.425 602 HD1 HIS 81 HD1 HIS 81 2.544 -8.750 15.851 603 HD2 HIS 81 HD2 HIS 81 3.064 -12.385 13.895 604 HE1 HIS 81 HE1 HIS 81 0.475 -10.090 16.347 605 HE2 HIS 81 HE2 HIS 81 0.726 -12.203 14.984 606 H LEU 82 HN LEU 82 7.792 -11.050 14.893 607 HA LEU 82 HA LEU 82 6.690 -13.581 15.836 608 HB2 LEU 82 HB2 LEU 82 8.023 -13.249 13.657 609 HB3 LEU 82 HB1 LEU 82 9.442 -13.177 14.686 610 HG LEU 82 HG LEU 82 8.934 -15.456 15.523 611 HD11 LEU 82 HD11 LEU 82 7.205 -16.793 14.397 612 HD12 LEU 82 HD12 LEU 82 6.704 -15.368 13.479 613 HD13 LEU 82 HD13 LEU 82 6.507 -15.404 15.231 614 HD21 LEU 82 HD21 LEU 82 9.493 -16.657 13.441 615 HD22 LEU 82 HD22 LEU 82 10.466 -15.202 13.654 616 HD23 LEU 82 HD23 LEU 82 9.119 -15.203 12.513 617 H ASN 83 HN ASN 83 9.948 -12.152 16.202 618 HA ASN 83 HA ASN 83 10.185 -13.405 18.797 619 HB2 ASN 83 HB2 ASN 83 12.480 -12.354 18.808 620 HB3 ASN 83 HB1 ASN 83 12.174 -13.468 17.485 621 HD21 ASN 83 HD21 ASN 83 12.656 -10.145 18.377 622 HD22 ASN 83 HD22 ASN 83 12.958 -9.551 16.782 623 H GLN 84 HN GLN 84 8.381 -12.265 19.695 624 HA GLN 84 HA GLN 84 8.209 -9.520 20.130 625 HB2 GLN 84 HB2 GLN 84 7.336 -11.767 21.972 626 HB3 GLN 84 HB1 GLN 84 6.752 -10.109 22.034 627 HG2 GLN 84 HG2 GLN 84 6.429 -11.877 19.618 628 HG3 GLN 84 HG1 GLN 84 5.234 -11.780 20.910 629 HE21 GLN 84 HE21 GLN 84 6.792 -10.027 18.305 630 HE22 GLN 84 HE22 GLN 84 5.618 -8.763 18.204 631 H HIS 85 HN HIS 85 9.247 -11.898 22.563 632 HA HIS 85 HA HIS 85 10.992 -11.983 24.000 633 HB2 HIS 85 HB2 HIS 85 12.390 -11.006 22.178 634 HB3 HIS 85 HB1 HIS 85 11.992 -9.399 22.771 635 HD1 HIS 85 HD1 HIS 85 14.247 -12.267 23.353 636 HD2 HIS 85 HD2 HIS 85 13.167 -8.766 25.317 637 HE1 HIS 85 HE1 HIS 85 15.994 -11.919 25.124 638 HE2 HIS 85 HE2 HIS 85 15.412 -9.712 26.189 639 H SER 86 HN SER 86 9.394 -8.857 23.635 640 HA SER 86 HA SER 86 9.923 -7.957 26.279 641 HB2 SER 86 HB2 SER 86 8.103 -6.290 25.750 642 HB3 SER 86 HB1 SER 86 9.411 -6.338 24.567 643 HG SER 86 HG SER 86 7.396 -6.333 23.526 644 H GLY 87 HN GLY 87 6.967 -9.244 24.739 645 HA2 GLY 87 HA2 GLY 87 6.090 -11.126 26.367 646 HA3 GLY 87 HA1 GLY 87 5.792 -9.721 27.381 647 HA PRO 88 HA PRO 88 1.987 -8.910 25.307 648 HB2 PRO 88 HB2 PRO 88 1.969 -6.257 24.765 649 HB3 PRO 88 HB1 PRO 88 1.876 -6.888 26.415 650 HG2 PRO 88 HG2 PRO 88 4.261 -5.828 24.929 651 HG3 PRO 88 HG1 PRO 88 3.746 -5.500 26.596 652 HD2 PRO 88 HD2 PRO 88 5.696 -7.292 26.003 653 HD3 PRO 88 HD1 PRO 88 4.606 -7.493 27.391 654 H GLY 89 HN GLY 89 0.927 -8.579 23.319 655 HA2 GLY 89 HA2 GLY 89 2.382 -9.211 20.996 656 HA3 GLY 89 HA1 GLY 89 0.708 -8.686 21.043 657 H ILE 90 HN ILE 90 4.010 -7.713 20.608 658 HA ILE 90 HA ILE 90 3.248 -4.946 20.056 659 HB ILE 90 HB ILE 90 5.673 -4.535 19.750 660 HG12 ILE 90 HG12 ILE 90 5.977 -7.446 20.560 661 HG13 ILE 90 HG11 ILE 90 6.343 -6.778 18.973 662 HG21 ILE 90 HG21 ILE 90 4.631 -4.213 21.931 663 HG22 ILE 90 HG22 ILE 90 6.289 -4.783 22.112 664 HG23 ILE 90 HG23 ILE 90 4.944 -5.899 22.346 665 HD11 ILE 90 HD11 ILE 90 8.104 -5.399 19.986 666 HD12 ILE 90 HD12 ILE 90 8.367 -7.124 20.227 667 HD13 ILE 90 HD13 ILE 90 7.756 -6.134 21.551 668 H ASP 91 HN ASP 91 3.125 -4.078 18.100 669 HA ASP 91 HA ASP 91 2.933 -3.826 15.879 670 HB2 ASP 91 HB2 ASP 91 5.404 -4.237 15.963 671 HB3 ASP 91 HB1 ASP 91 5.087 -5.931 15.603 672 H TYR 92 HN TYR 92 2.051 -4.748 13.944 673 HA TYR 92 HA TYR 92 0.795 -7.374 14.374 674 HB2 TYR 92 HB2 TYR 92 -1.333 -6.383 13.413 675 HB3 TYR 92 HB1 TYR 92 -0.913 -5.870 15.041 676 HD1 TYR 92 HD1 TYR 92 -0.121 -3.584 15.464 677 HD2 TYR 92 HD2 TYR 92 -1.347 -4.805 11.570 678 HE1 TYR 92 HE1 TYR 92 -0.279 -1.229 14.783 679 HE2 TYR 92 HE2 TYR 92 -1.505 -2.451 10.880 680 HH TYR 92 HH TYR 92 -0.176 0.080 12.678 681 H ALA 93 HN ALA 93 -0.247 -8.226 12.413 682 HA ALA 93 HA ALA 93 0.469 -7.417 9.811 683 HB1 ALA 93 HB1 ALA 93 2.185 -9.129 9.317 684 HB2 ALA 93 HB2 ALA 93 2.228 -9.568 11.026 685 HB3 ALA 93 HB3 ALA 93 2.751 -7.964 10.513 686 H VAL 94 HN VAL 94 0.720 -10.041 8.689 687 HA VAL 94 HA VAL 94 -1.846 -10.999 8.499 688 HB VAL 94 HB VAL 94 -0.023 -11.673 6.989 689 HG11 VAL 94 HG11 VAL 94 1.562 -13.443 7.645 690 HG12 VAL 94 HG12 VAL 94 0.951 -13.366 9.297 691 HG13 VAL 94 HG13 VAL 94 1.773 -11.973 8.596 692 HG21 VAL 94 HG21 VAL 94 -2.047 -13.028 7.025 693 HG22 VAL 94 HG22 VAL 94 -1.385 -14.024 8.320 694 HG23 VAL 94 HG23 VAL 94 -0.636 -14.042 6.724 695 H ARG 95 HN ARG 95 -3.141 -12.359 9.650 696 HA ARG 95 HA ARG 95 -2.371 -12.935 12.381 697 HB2 ARG 95 HB2 ARG 95 -4.975 -13.311 10.876 698 HB3 ARG 95 HB1 ARG 95 -4.746 -13.859 12.530 699 HG2 ARG 95 HG2 ARG 95 -5.853 -11.739 12.569 700 HG3 ARG 95 HG1 ARG 95 -4.215 -11.528 13.189 701 HD2 ARG 95 HD2 ARG 95 -3.542 -10.747 10.907 702 HD3 ARG 95 HD1 ARG 95 -5.242 -10.794 10.445 703 HE ARG 95 HE ARG 95 -4.981 -9.242 12.764 704 HH11 ARG 95 HH11 ARG 95 -4.249 -9.159 9.348 705 HH12 ARG 95 HH12 ARG 95 -4.174 -7.424 9.275 706 HH21 ARG 95 HH21 ARG 95 -4.915 -6.965 12.680 707 HH22 ARG 95 HH22 ARG 95 -4.557 -6.171 11.175 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 2.132 5.542 2.765 2 H2 MET 1 HT2 MET 1 3.404 6.657 2.708 3 H3 MET 1 HT3 MET 1 3.387 5.447 3.889 4 HA MET 1 HA MET 1 3.580 4.985 0.984 5 HB2 MET 1 HB2 MET 1 5.931 4.273 1.502 6 HB3 MET 1 HB1 MET 1 5.636 5.991 1.717 7 HG2 MET 1 HG2 MET 1 5.419 5.617 4.152 8 HG3 MET 1 HG1 MET 1 5.815 3.919 3.896 9 HE1 MET 1 HE1 MET 1 7.404 5.835 5.928 10 HE2 MET 1 HE2 MET 1 9.057 5.324 5.592 11 HE3 MET 1 HE3 MET 1 7.768 4.125 5.682 12 H ALA 2 HN ALA 2 2.047 3.376 0.966 13 HA ALA 2 HA ALA 2 2.831 0.767 1.684 14 HB1 ALA 2 HB1 ALA 2 0.686 1.930 3.474 15 HB2 ALA 2 HB2 ALA 2 2.323 1.496 3.972 16 HB3 ALA 2 HB3 ALA 2 1.204 0.244 3.434 17 H HIS 3 HN HIS 3 2.057 -0.187 -0.088 18 HA HIS 3 HA HIS 3 -0.809 0.148 -0.724 19 HB2 HIS 3 HB2 HIS 3 1.526 -0.356 -2.587 20 HB3 HIS 3 HB1 HIS 3 -0.150 -0.609 -3.066 21 HD1 HIS 3 HD1 HIS 3 1.803 1.528 -4.342 22 HD2 HIS 3 HD2 HIS 3 -1.128 2.283 -1.495 23 HE1 HIS 3 HE1 HIS 3 1.206 3.953 -4.611 24 HE2 HIS 3 HE2 HIS 3 -0.672 4.344 -2.980 25 H HIS 4 HN HIS 4 -2.035 -1.688 -0.880 26 HA HIS 4 HA HIS 4 -0.640 -4.261 -0.508 27 HB2 HIS 4 HB2 HIS 4 -3.090 -3.351 1.035 28 HB3 HIS 4 HB1 HIS 4 -2.340 -4.940 1.145 29 HD1 HIS 4 HD1 HIS 4 0.237 -4.870 2.077 30 HD2 HIS 4 HD2 HIS 4 -2.123 -1.538 2.821 31 HE1 HIS 4 HE1 HIS 4 1.364 -3.656 3.960 32 HE2 HIS 4 HE2 HIS 4 -0.212 -1.786 4.544 33 H HIS 5 HN HIS 5 -1.011 -4.804 -2.673 34 HA HIS 5 HA HIS 5 -3.777 -5.738 -3.136 35 HB2 HIS 5 HB2 HIS 5 -1.866 -4.520 -5.144 36 HB3 HIS 5 HB1 HIS 5 -3.262 -5.483 -5.624 37 HD1 HIS 5 HD1 HIS 5 -2.366 -2.117 -5.375 38 HD2 HIS 5 HD2 HIS 5 -5.702 -4.267 -4.154 39 HE1 HIS 5 HE1 HIS 5 -4.198 -0.420 -5.108 40 HE2 HIS 5 HE2 HIS 5 -6.258 -1.780 -4.589 41 H HIS 6 HN HIS 6 -3.602 -7.822 -2.633 42 HA HIS 6 HA HIS 6 -2.179 -9.591 -4.359 43 HB2 HIS 6 HB2 HIS 6 -0.807 -10.685 -2.577 44 HB3 HIS 6 HB1 HIS 6 -0.275 -9.051 -2.950 45 HD1 HIS 6 HD1 HIS 6 -0.699 -7.220 -1.137 46 HD2 HIS 6 HD2 HIS 6 -1.723 -11.072 0.034 47 HE1 HIS 6 HE1 HIS 6 -0.983 -7.113 1.357 48 HE2 HIS 6 HE2 HIS 6 -1.476 -9.475 2.059 49 H HIS 7 HN HIS 7 -2.877 -11.770 -4.098 50 HA HIS 7 HA HIS 7 -4.538 -12.565 -1.914 51 HB2 HIS 7 HB2 HIS 7 -6.620 -12.918 -3.304 52 HB3 HIS 7 HB1 HIS 7 -6.240 -11.240 -2.939 53 HD1 HIS 7 HD1 HIS 7 -6.114 -13.703 -5.809 54 HD2 HIS 7 HD2 HIS 7 -5.898 -9.612 -5.116 55 HE1 HIS 7 HE1 HIS 7 -6.223 -12.627 -8.078 56 HE2 HIS 7 HE2 HIS 7 -6.303 -10.153 -7.610 57 H HIS 8 HN HIS 8 -4.330 -14.684 -1.678 58 HA HIS 8 HA HIS 8 -3.749 -16.356 -4.039 59 HB2 HIS 8 HB2 HIS 8 -3.448 -17.061 -1.099 60 HB3 HIS 8 HB1 HIS 8 -2.947 -18.051 -2.465 61 HD1 HIS 8 HD1 HIS 8 -0.760 -17.336 -3.707 62 HD2 HIS 8 HD2 HIS 8 -1.710 -15.011 -0.398 63 HE1 HIS 8 HE1 HIS 8 1.319 -16.014 -3.184 64 HE2 HIS 8 HE2 HIS 8 0.768 -14.764 -1.064 65 H MET 9 HN MET 9 -5.348 -17.632 -4.781 66 HA MET 9 HA MET 9 -7.895 -17.550 -3.365 67 HB2 MET 9 HB2 MET 9 -7.201 -18.452 -6.171 68 HB3 MET 9 HB1 MET 9 -8.827 -18.436 -5.507 69 HG2 MET 9 HG2 MET 9 -8.518 -16.495 -6.877 70 HG3 MET 9 HG1 MET 9 -8.648 -15.994 -5.193 71 HE1 MET 9 HE1 MET 9 -4.711 -16.103 -7.608 72 HE2 MET 9 HE2 MET 9 -6.297 -16.488 -8.276 73 HE3 MET 9 HE3 MET 9 -5.549 -17.568 -7.098 74 H GLY 10 HN GLY 10 -8.176 -19.109 -1.907 75 HA2 GLY 10 HA2 GLY 10 -7.654 -21.906 -2.724 76 HA3 GLY 10 HA1 GLY 10 -7.748 -21.351 -1.054 77 H THR 11 HN THR 11 -9.321 -23.453 -2.388 78 HA THR 11 HA THR 11 -12.013 -22.259 -2.179 79 HB THR 11 HB THR 11 -12.755 -24.160 -3.681 80 HG1 THR 11 HG1 THR 11 -11.174 -25.299 -4.778 81 HG21 THR 11 HG21 THR 11 -12.453 -21.889 -4.559 82 HG22 THR 11 HG22 THR 11 -11.960 -23.092 -5.751 83 HG23 THR 11 HG23 THR 11 -10.739 -22.215 -4.830 84 H LEU 12 HN LEU 12 -10.947 -25.649 -2.277 85 HA LEU 12 HA LEU 12 -12.263 -26.072 0.336 86 HB2 LEU 12 HB2 LEU 12 -11.836 -28.033 -1.932 87 HB3 LEU 12 HB1 LEU 12 -12.568 -28.424 -0.386 88 HG LEU 12 HG LEU 12 -13.702 -26.508 -2.435 89 HD11 LEU 12 HD11 LEU 12 -14.599 -29.273 -1.623 90 HD12 LEU 12 HD12 LEU 12 -13.859 -28.825 -3.160 91 HD13 LEU 12 HD13 LEU 12 -15.450 -28.195 -2.732 92 HD21 LEU 12 HD21 LEU 12 -14.262 -25.826 -0.159 93 HD22 LEU 12 HD22 LEU 12 -14.851 -27.450 0.197 94 HD23 LEU 12 HD23 LEU 12 -15.682 -26.450 -0.996 95 H GLU 13 HN GLU 13 -10.777 -26.174 1.874 96 HA GLU 13 HA GLU 13 -8.029 -26.877 1.165 97 HB2 GLU 13 HB2 GLU 13 -8.815 -25.788 3.844 98 HB3 GLU 13 HB1 GLU 13 -7.354 -25.503 2.909 99 HG2 GLU 13 HG2 GLU 13 -10.060 -24.420 2.152 100 HG3 GLU 13 HG1 GLU 13 -8.903 -23.547 3.148 101 H ALA 14 HN ALA 14 -6.776 -27.917 3.047 102 HA ALA 14 HA ALA 14 -8.199 -30.319 3.912 103 HB1 ALA 14 HB1 ALA 14 -6.022 -30.642 2.869 104 HB2 ALA 14 HB2 ALA 14 -5.963 -31.140 4.561 105 HB3 ALA 14 HB3 ALA 14 -5.267 -29.595 4.071 106 H GLN 15 HN GLN 15 -9.199 -30.262 5.816 107 HA GLN 15 HA GLN 15 -9.118 -28.141 7.600 108 HB2 GLN 15 HB2 GLN 15 -9.911 -30.999 8.211 109 HB3 GLN 15 HB1 GLN 15 -10.331 -29.593 9.179 110 HG2 GLN 15 HG2 GLN 15 -11.595 -28.693 7.248 111 HG3 GLN 15 HG1 GLN 15 -11.236 -30.173 6.362 112 HE21 GLN 15 HE21 GLN 15 -11.943 -30.065 9.796 113 HE22 GLN 15 HE22 GLN 15 -13.455 -30.896 9.700 114 H THR 16 HN THR 16 -7.184 -27.508 8.420 115 HA THR 16 HA THR 16 -5.264 -29.220 9.601 116 HB THR 16 HB THR 16 -4.589 -27.001 8.933 117 HG1 THR 16 HG1 THR 16 -4.485 -26.680 11.712 118 HG21 THR 16 HG21 THR 16 -5.395 -24.968 10.056 119 HG22 THR 16 HG22 THR 16 -6.536 -25.941 10.987 120 HG23 THR 16 HG23 THR 16 -6.708 -25.820 9.237 121 H GLN 17 HN GLN 17 -7.995 -27.395 10.883 122 HA GLN 17 HA GLN 17 -8.332 -29.371 12.984 123 HB2 GLN 17 HB2 GLN 17 -8.009 -26.409 13.552 124 HB3 GLN 17 HB1 GLN 17 -8.838 -27.496 14.657 125 HG2 GLN 17 HG2 GLN 17 -6.848 -27.795 15.620 126 HG3 GLN 17 HG1 GLN 17 -6.454 -28.798 14.228 127 HE21 GLN 17 HE21 GLN 17 -4.637 -27.313 15.863 128 HE22 GLN 17 HE22 GLN 17 -3.850 -26.169 14.831 129 H GLY 18 HN GLY 18 -10.454 -28.192 14.301 130 HA2 GLY 18 HA2 GLY 18 -12.330 -27.134 12.344 131 HA3 GLY 18 HA1 GLY 18 -12.706 -28.736 12.964 132 HA PRO 19 HA PRO 19 -14.495 -26.489 16.406 133 HB2 PRO 19 HB2 PRO 19 -15.552 -28.554 17.717 134 HB3 PRO 19 HB1 PRO 19 -16.175 -28.093 16.128 135 HG2 PRO 19 HG2 PRO 19 -14.309 -30.326 16.853 136 HG3 PRO 19 HG1 PRO 19 -15.666 -30.331 15.712 137 HD2 PRO 19 HD2 PRO 19 -12.994 -30.012 15.011 138 HD3 PRO 19 HD1 PRO 19 -14.374 -29.519 14.008 139 H GLY 20 HN GLY 20 -14.610 -27.390 18.971 140 HA2 GLY 20 HA2 GLY 20 -12.459 -28.719 20.086 141 HA3 GLY 20 HA1 GLY 20 -11.951 -27.041 19.930 142 H SER 21 HN SER 21 -12.511 -28.722 22.323 143 HA SER 21 HA SER 21 -14.900 -27.671 23.507 144 HB2 SER 21 HB2 SER 21 -13.864 -29.874 24.153 145 HB3 SER 21 HB1 SER 21 -12.550 -28.980 24.918 146 HG SER 21 HG SER 21 -14.019 -29.397 26.503 147 H MET 22 HN MET 22 -15.149 -25.721 24.318 148 HA MET 22 HA MET 22 -14.790 -23.708 25.268 149 HB2 MET 22 HB2 MET 22 -12.126 -24.895 26.063 150 HB3 MET 22 HB1 MET 22 -12.632 -23.271 26.511 151 HG2 MET 22 HG2 MET 22 -14.566 -24.207 27.692 152 HG3 MET 22 HG1 MET 22 -14.025 -25.832 27.272 153 HE1 MET 22 HE1 MET 22 -14.629 -24.586 30.275 154 HE2 MET 22 HE2 MET 22 -13.361 -25.434 31.161 155 HE3 MET 22 HE3 MET 22 -14.296 -26.285 29.932 156 H ASP 23 HN ASP 23 -13.654 -24.726 22.576 157 HA ASP 23 HA ASP 23 -12.052 -22.372 21.868 158 HB2 ASP 23 HB2 ASP 23 -11.727 -24.919 21.041 159 HB3 ASP 23 HB1 ASP 23 -12.877 -24.400 19.817 160 H ASP 24 HN ASP 24 -12.984 -21.872 19.292 161 HA ASP 24 HA ASP 24 -15.514 -20.604 19.946 162 HB2 ASP 24 HB2 ASP 24 -13.505 -19.542 18.664 163 HB3 ASP 24 HB1 ASP 24 -14.149 -20.398 17.266 164 H GLU 25 HN GLU 25 -17.197 -20.553 18.103 165 HA GLU 25 HA GLU 25 -18.032 -23.270 17.615 166 HB2 GLU 25 HB2 GLU 25 -19.259 -20.624 16.795 167 HB3 GLU 25 HB1 GLU 25 -20.026 -22.194 16.588 168 HG2 GLU 25 HG2 GLU 25 -19.205 -21.075 19.262 169 HG3 GLU 25 HG1 GLU 25 -20.808 -20.863 18.561 170 H LEU 26 HN LEU 26 -18.966 -23.712 15.275 171 HA LEU 26 HA LEU 26 -16.659 -23.552 13.569 172 HB2 LEU 26 HB2 LEU 26 -19.363 -24.807 13.149 173 HB3 LEU 26 HB1 LEU 26 -18.140 -24.763 11.897 174 HG LEU 26 HG LEU 26 -17.916 -26.880 12.816 175 HD11 LEU 26 HD11 LEU 26 -15.771 -25.821 12.585 176 HD12 LEU 26 HD12 LEU 26 -15.761 -26.913 13.969 177 HD13 LEU 26 HD13 LEU 26 -15.881 -25.172 14.220 178 HD21 LEU 26 HD21 LEU 26 -19.346 -26.594 14.771 179 HD22 LEU 26 HD22 LEU 26 -18.083 -25.664 15.577 180 HD23 LEU 26 HD23 LEU 26 -17.828 -27.373 15.223 181 H TYR 27 HN TYR 27 -16.349 -22.466 11.827 182 HA TYR 27 HA TYR 27 -18.379 -20.644 10.768 183 HB2 TYR 27 HB2 TYR 27 -15.599 -20.028 11.736 184 HB3 TYR 27 HB1 TYR 27 -16.204 -19.161 10.332 185 HD1 TYR 27 HD1 TYR 27 -17.451 -20.090 13.757 186 HD2 TYR 27 HD2 TYR 27 -17.097 -17.085 10.759 187 HE1 TYR 27 HE1 TYR 27 -18.573 -18.478 15.237 188 HE2 TYR 27 HE2 TYR 27 -18.223 -15.476 12.230 189 HH TYR 27 HH TYR 27 -18.860 -16.168 15.564 190 H PHE 28 HN PHE 28 -17.933 -20.033 8.585 191 HA PHE 28 HA PHE 28 -15.977 -21.664 7.127 192 HB2 PHE 28 HB2 PHE 28 -18.880 -21.564 6.759 193 HB3 PHE 28 HB1 PHE 28 -18.030 -21.079 5.296 194 HD1 PHE 28 HD2 PHE 28 -15.730 -22.732 5.144 195 HD2 PHE 28 HD1 PHE 28 -19.613 -23.743 6.551 196 HE1 PHE 28 HE2 PHE 28 -15.323 -25.095 4.613 197 HE2 PHE 28 HE1 PHE 28 -19.170 -26.119 6.013 198 HZ PHE 28 HZ PHE 28 -17.048 -26.772 5.019 199 H VAL 29 HN VAL 29 -15.255 -20.621 5.119 200 HA VAL 29 HA VAL 29 -15.228 -17.698 5.364 201 HB VAL 29 HB VAL 29 -13.717 -19.628 3.582 202 HG11 VAL 29 HG11 VAL 29 -13.628 -16.615 3.601 203 HG12 VAL 29 HG12 VAL 29 -14.097 -17.670 2.261 204 HG13 VAL 29 HG13 VAL 29 -12.425 -17.644 2.821 205 HG21 VAL 29 HG21 VAL 29 -12.775 -17.806 5.799 206 HG22 VAL 29 HG22 VAL 29 -11.749 -18.858 4.820 207 HG23 VAL 29 HG23 VAL 29 -12.952 -19.559 5.902 208 H VAL 30 HN VAL 30 -16.658 -16.497 4.168 209 HA VAL 30 HA VAL 30 -18.046 -17.892 1.971 210 HB VAL 30 HB VAL 30 -20.158 -16.900 2.634 211 HG11 VAL 30 HG11 VAL 30 -20.569 -18.154 4.703 212 HG12 VAL 30 HG12 VAL 30 -18.831 -18.320 4.943 213 HG13 VAL 30 HG13 VAL 30 -19.606 -19.090 3.558 214 HG21 VAL 30 HG21 VAL 30 -20.393 -15.674 4.764 215 HG22 VAL 30 HG22 VAL 30 -19.362 -14.824 3.614 216 HG23 VAL 30 HG23 VAL 30 -18.639 -15.708 4.959 217 H ARG 31 HN ARG 31 -19.107 -16.567 0.434 218 HA ARG 31 HA ARG 31 -18.844 -13.727 0.405 219 HB2 ARG 31 HB2 ARG 31 -17.381 -13.568 -1.622 220 HB3 ARG 31 HB1 ARG 31 -16.540 -14.075 -0.167 221 HG2 ARG 31 HG2 ARG 31 -16.312 -16.285 -0.927 222 HG3 ARG 31 HG1 ARG 31 -17.539 -16.074 -2.177 223 HD2 ARG 31 HD2 ARG 31 -16.108 -14.816 -3.539 224 HD3 ARG 31 HD1 ARG 31 -15.016 -14.447 -2.208 225 HE ARG 31 HE ARG 31 -13.841 -16.286 -2.781 226 HH11 ARG 31 HH11 ARG 31 -17.123 -16.820 -3.882 227 HH12 ARG 31 HH12 ARG 31 -16.777 -18.382 -4.544 228 HH21 ARG 31 HH21 ARG 31 -13.392 -18.341 -3.636 229 HH22 ARG 31 HH22 ARG 31 -14.666 -19.252 -4.396 230 H ASN 32 HN ASN 32 -19.624 -12.816 -1.750 231 HA ASN 32 HA ASN 32 -20.791 -14.836 -3.518 232 HB2 ASN 32 HB2 ASN 32 -22.972 -13.784 -3.631 233 HB3 ASN 32 HB1 ASN 32 -22.630 -14.194 -1.957 234 HD21 ASN 32 HD21 ASN 32 -20.906 -11.923 -1.432 235 HD22 ASN 32 HD22 ASN 32 -21.910 -10.524 -1.412 236 H ASN 33 HN ASN 33 -20.756 -14.309 -5.585 237 HA ASN 33 HA ASN 33 -19.779 -13.354 -7.438 238 HB2 ASN 33 HB2 ASN 33 -22.241 -12.767 -7.235 239 HB3 ASN 33 HB1 ASN 33 -21.728 -11.159 -6.737 240 HD21 ASN 33 HD21 ASN 33 -22.648 -10.169 -8.522 241 HD22 ASN 33 HD22 ASN 33 -21.997 -10.326 -10.115 242 H GLU 34 HN GLU 34 -18.290 -12.336 -4.935 243 HA GLU 34 HA GLU 34 -17.551 -9.651 -5.903 244 HB2 GLU 34 HB2 GLU 34 -16.898 -9.147 -3.595 245 HB3 GLU 34 HB1 GLU 34 -18.580 -9.651 -3.697 246 HG2 GLU 34 HG2 GLU 34 -17.808 -11.961 -3.030 247 HG3 GLU 34 HG1 GLU 34 -16.233 -11.244 -2.688 248 H GLY 35 HN GLY 35 -16.274 -12.761 -4.935 249 HA2 GLY 35 HA2 GLY 35 -14.192 -13.675 -5.419 250 HA3 GLY 35 HA1 GLY 35 -13.676 -12.116 -6.047 251 H GLN 36 HN GLN 36 -14.638 -10.857 -3.444 252 HA GLN 36 HA GLN 36 -12.187 -11.171 -1.950 253 HB2 GLN 36 HB2 GLN 36 -13.409 -8.973 -2.277 254 HB3 GLN 36 HB1 GLN 36 -14.662 -9.580 -1.201 255 HG2 GLN 36 HG2 GLN 36 -13.070 -9.716 0.623 256 HG3 GLN 36 HG1 GLN 36 -11.763 -9.209 -0.449 257 HE21 GLN 36 HE21 GLN 36 -11.723 -7.045 -1.190 258 HE22 GLN 36 HE22 GLN 36 -12.591 -5.799 -0.365 259 H TYR 37 HN TYR 37 -12.274 -11.673 0.450 260 HA TYR 37 HA TYR 37 -14.184 -13.881 0.842 261 HB2 TYR 37 HB2 TYR 37 -11.265 -13.637 1.498 262 HB3 TYR 37 HB1 TYR 37 -12.285 -14.718 2.448 263 HD1 TYR 37 HD2 TYR 37 -14.001 -16.066 0.818 264 HD2 TYR 37 HD1 TYR 37 -10.083 -14.754 -0.201 265 HE1 TYR 37 HE2 TYR 37 -13.874 -17.805 -0.908 266 HE2 TYR 37 HE1 TYR 37 -9.944 -16.495 -1.943 267 HH TYR 37 HH TYR 37 -11.066 -18.772 -2.387 268 H SER 38 HN SER 38 -15.288 -14.119 2.660 269 HA SER 38 HA SER 38 -14.661 -12.423 4.970 270 HB2 SER 38 HB2 SER 38 -17.458 -12.981 3.923 271 HB3 SER 38 HB1 SER 38 -17.047 -11.993 5.326 272 HG SER 38 HG SER 38 -17.182 -11.287 2.747 273 H VAL 39 HN VAL 39 -16.221 -13.331 6.877 274 HA VAL 39 HA VAL 39 -16.182 -16.280 6.733 275 HB VAL 39 HB VAL 39 -15.681 -16.318 9.181 276 HG11 VAL 39 HG11 VAL 39 -13.571 -14.971 7.487 277 HG12 VAL 39 HG12 VAL 39 -13.934 -16.698 7.488 278 HG13 VAL 39 HG13 VAL 39 -13.289 -15.932 8.942 279 HG21 VAL 39 HG21 VAL 39 -16.402 -14.061 9.771 280 HG22 VAL 39 HG22 VAL 39 -15.113 -13.372 8.785 281 HG23 VAL 39 HG23 VAL 39 -14.712 -14.305 10.227 282 H TRP 40 HN TRP 40 -17.693 -17.341 8.217 283 HA TRP 40 HA TRP 40 -20.026 -15.824 9.053 284 HB2 TRP 40 HB2 TRP 40 -20.454 -15.991 6.692 285 HB3 TRP 40 HB1 TRP 40 -20.025 -17.693 6.675 286 HD1 TRP 40 HD1 TRP 40 -22.842 -15.361 7.875 287 HE1 TRP 40 HE1 TRP 40 -25.008 -16.739 8.006 288 HE3 TRP 40 HE3 TRP 40 -20.924 -19.985 6.853 289 HZ2 TRP 40 HZ2 TRP 40 -25.806 -19.397 7.678 290 HZ3 TRP 40 HZ3 TRP 40 -22.464 -21.906 6.775 291 HH2 TRP 40 HH2 TRP 40 -24.854 -21.620 7.187 292 H MET 41 HN MET 41 -21.387 -17.037 10.421 293 HA MET 41 HA MET 41 -20.041 -19.255 11.697 294 HB2 MET 41 HB2 MET 41 -21.107 -17.489 13.047 295 HB3 MET 41 HB1 MET 41 -22.676 -17.918 12.377 296 HG2 MET 41 HG2 MET 41 -22.497 -20.139 13.399 297 HG3 MET 41 HG1 MET 41 -20.932 -19.697 14.080 298 HE1 MET 41 HE1 MET 41 -23.136 -19.754 17.279 299 HE2 MET 41 HE2 MET 41 -21.651 -20.314 16.511 300 HE3 MET 41 HE3 MET 41 -23.216 -20.855 15.906 301 H ASP 42 HN ASP 42 -20.416 -21.329 11.341 302 HA ASP 42 HA ASP 42 -22.420 -22.235 9.513 303 HB2 ASP 42 HB2 ASP 42 -20.274 -23.384 9.638 304 HB3 ASP 42 HB1 ASP 42 -20.537 -23.762 11.337 305 H GLY 43 HN GLY 43 -24.278 -23.413 9.927 306 HA2 GLY 43 HA2 GLY 43 -25.782 -24.556 11.456 307 HA3 GLY 43 HA1 GLY 43 -25.192 -23.509 12.740 308 H ARG 44 HN ARG 44 -25.335 -21.518 10.245 309 HA ARG 44 HA ARG 44 -28.092 -20.634 10.816 310 HB2 ARG 44 HB2 ARG 44 -26.386 -19.044 11.485 311 HB3 ARG 44 HB1 ARG 44 -25.605 -19.150 9.917 312 HG2 ARG 44 HG2 ARG 44 -27.548 -18.056 8.881 313 HG3 ARG 44 HG1 ARG 44 -28.319 -17.942 10.469 314 HD2 ARG 44 HD2 ARG 44 -26.541 -16.528 11.282 315 HD3 ARG 44 HD1 ARG 44 -25.629 -16.748 9.791 316 HE ARG 44 HE ARG 44 -27.897 -15.646 8.881 317 HH11 ARG 44 HH11 ARG 44 -25.833 -14.764 11.568 318 HH12 ARG 44 HH12 ARG 44 -26.147 -13.066 11.419 319 HH21 ARG 44 HH21 ARG 44 -28.272 -13.405 8.651 320 HH22 ARG 44 HH22 ARG 44 -27.516 -12.289 9.746 321 H SER 45 HN SER 45 -29.203 -19.570 8.895 322 HA SER 45 HA SER 45 -28.570 -21.005 6.414 323 HB2 SER 45 HB2 SER 45 -30.994 -19.306 7.083 324 HB3 SER 45 HB1 SER 45 -30.798 -20.328 5.660 325 HG SER 45 HG SER 45 -31.326 -22.016 6.809 326 H LEU 46 HN LEU 46 -27.248 -20.043 5.039 327 HA LEU 46 HA LEU 46 -26.717 -17.252 5.026 328 HB2 LEU 46 HB2 LEU 46 -25.846 -19.605 3.447 329 HB3 LEU 46 HB1 LEU 46 -25.766 -18.067 2.612 330 HG LEU 46 HG LEU 46 -24.401 -18.701 5.231 331 HD11 LEU 46 HD11 LEU 46 -23.374 -19.880 3.366 332 HD12 LEU 46 HD12 LEU 46 -22.328 -18.589 3.962 333 HD13 LEU 46 HD13 LEU 46 -23.243 -18.367 2.469 334 HD21 LEU 46 HD21 LEU 46 -23.266 -16.541 4.907 335 HD22 LEU 46 HD22 LEU 46 -25.007 -16.353 5.101 336 HD23 LEU 46 HD23 LEU 46 -24.281 -16.227 3.498 337 HA PRO 47 HA PRO 47 -30.053 -15.861 2.460 338 HB2 PRO 47 HB2 PRO 47 -28.843 -13.536 1.559 339 HB3 PRO 47 HB1 PRO 47 -29.710 -13.703 3.087 340 HG2 PRO 47 HG2 PRO 47 -26.791 -13.656 2.561 341 HG3 PRO 47 HG1 PRO 47 -27.688 -13.108 3.983 342 HD2 PRO 47 HD2 PRO 47 -26.246 -15.449 3.848 343 HD3 PRO 47 HD1 PRO 47 -27.576 -15.169 4.986 344 H ALA 48 HN ALA 48 -30.627 -16.195 0.410 345 HA ALA 48 HA ALA 48 -29.237 -17.696 -1.366 346 HB1 ALA 48 HB1 ALA 48 -30.838 -16.992 -3.077 347 HB2 ALA 48 HB2 ALA 48 -31.303 -15.609 -2.085 348 HB3 ALA 48 HB3 ALA 48 -31.642 -17.248 -1.528 349 H GLY 49 HN GLY 49 -27.546 -17.436 -2.641 350 HA2 GLY 49 HA2 GLY 49 -26.479 -16.129 -4.429 351 HA3 GLY 49 HA1 GLY 49 -26.749 -14.696 -3.443 352 H TRP 50 HN TRP 50 -26.035 -15.992 -0.946 353 HA TRP 50 HA TRP 50 -23.181 -15.601 -1.113 354 HB2 TRP 50 HB2 TRP 50 -25.030 -16.301 1.173 355 HB3 TRP 50 HB1 TRP 50 -23.287 -16.159 1.368 356 HD1 TRP 50 HD1 TRP 50 -26.204 -13.926 0.082 357 HE1 TRP 50 HE1 TRP 50 -25.700 -11.503 0.790 358 HE3 TRP 50 HE3 TRP 50 -21.644 -14.646 2.285 359 HZ2 TRP 50 HZ2 TRP 50 -23.650 -10.082 2.104 360 HZ3 TRP 50 HZ3 TRP 50 -20.480 -12.703 3.250 361 HH2 TRP 50 HH2 TRP 50 -21.465 -10.466 3.159 362 H GLU 51 HN GLU 51 -21.572 -17.108 -0.900 363 HA GLU 51 HA GLU 51 -22.384 -19.936 -0.813 364 HB2 GLU 51 HB2 GLU 51 -20.744 -20.493 -2.498 365 HB3 GLU 51 HB1 GLU 51 -21.816 -19.252 -3.135 366 HG2 GLU 51 HG2 GLU 51 -20.117 -17.552 -2.658 367 HG3 GLU 51 HG1 GLU 51 -19.044 -18.797 -2.036 368 H THR 52 HN THR 52 -20.738 -21.387 -0.144 369 HA THR 52 HA THR 52 -19.076 -20.242 1.996 370 HB THR 52 HB THR 52 -19.161 -22.598 2.928 371 HG1 THR 52 HG1 THR 52 -20.267 -23.095 0.555 372 HG21 THR 52 HG21 THR 52 -20.619 -20.852 3.823 373 HG22 THR 52 HG22 THR 52 -21.467 -22.399 3.782 374 HG23 THR 52 HG23 THR 52 -21.806 -21.173 2.559 375 H VAL 53 HN VAL 53 -17.010 -21.117 2.399 376 HA VAL 53 HA VAL 53 -15.741 -22.974 0.623 377 HB VAL 53 HB VAL 53 -13.910 -20.883 0.335 378 HG11 VAL 53 HG11 VAL 53 -15.936 -21.850 -1.696 379 HG12 VAL 53 HG12 VAL 53 -14.401 -22.632 -1.315 380 HG13 VAL 53 HG13 VAL 53 -14.413 -21.033 -2.054 381 HG21 VAL 53 HG21 VAL 53 -16.676 -19.808 -0.241 382 HG22 VAL 53 HG22 VAL 53 -15.175 -19.084 -0.814 383 HG23 VAL 53 HG23 VAL 53 -15.506 -19.171 0.916 384 H GLY 54 HN GLY 54 -13.476 -23.321 1.221 385 HA2 GLY 54 HA2 GLY 54 -11.677 -23.246 2.720 386 HA3 GLY 54 HA1 GLY 54 -12.674 -22.332 3.847 387 H GLU 55 HN GLU 55 -11.854 -23.841 5.432 388 HA GLU 55 HA GLU 55 -13.254 -26.407 5.440 389 HB2 GLU 55 HB2 GLU 55 -11.606 -27.097 7.082 390 HB3 GLU 55 HB1 GLU 55 -10.795 -26.519 5.647 391 HG2 GLU 55 HG2 GLU 55 -11.187 -24.840 8.121 392 HG3 GLU 55 HG1 GLU 55 -9.774 -25.858 7.859 393 HA PRO 56 HA PRO 56 -15.835 -24.588 8.611 394 HB2 PRO 56 HB2 PRO 56 -16.881 -26.850 9.674 395 HB3 PRO 56 HB1 PRO 56 -17.413 -26.206 8.125 396 HG2 PRO 56 HG2 PRO 56 -15.456 -28.411 8.689 397 HG3 PRO 56 HG1 PRO 56 -16.776 -28.363 7.501 398 HD2 PRO 56 HD2 PRO 56 -14.231 -27.891 6.798 399 HD3 PRO 56 HD1 PRO 56 -15.565 -27.047 6.027 400 H ALA 57 HN ALA 57 -14.984 -23.759 10.417 401 HA ALA 57 HA ALA 57 -13.653 -25.352 12.410 402 HB1 ALA 57 HB1 ALA 57 -11.891 -25.341 10.700 403 HB2 ALA 57 HB2 ALA 57 -11.400 -24.435 12.130 404 HB3 ALA 57 HB3 ALA 57 -11.917 -23.578 10.677 405 H THR 58 HN THR 58 -12.561 -23.833 14.060 406 HA THR 58 HA THR 58 -14.497 -22.077 15.001 407 HB THR 58 HB THR 58 -12.884 -21.349 16.658 408 HG1 THR 58 HG1 THR 58 -10.661 -22.077 16.417 409 HG21 THR 58 HG21 THR 58 -12.077 -23.508 17.499 410 HG22 THR 58 HG22 THR 58 -12.445 -24.248 15.941 411 HG23 THR 58 HG23 THR 58 -13.749 -23.608 16.946 412 H LYS 59 HN LYS 59 -14.620 -19.805 15.129 413 HA LYS 59 HA LYS 59 -14.196 -18.211 12.972 414 HB2 LYS 59 HB2 LYS 59 -15.458 -17.380 14.826 415 HB3 LYS 59 HB1 LYS 59 -14.086 -17.522 15.915 416 HG2 LYS 59 HG2 LYS 59 -14.394 -15.216 15.459 417 HG3 LYS 59 HG1 LYS 59 -12.950 -15.728 14.588 418 HD2 LYS 59 HD2 LYS 59 -14.217 -15.844 12.509 419 HD3 LYS 59 HD1 LYS 59 -15.699 -15.430 13.375 420 HE2 LYS 59 HE2 LYS 59 -13.256 -13.686 13.026 421 HE3 LYS 59 HE1 LYS 59 -14.824 -13.464 12.251 422 HZ1 LYS 59 HZ1 LYS 59 -15.794 -13.108 14.454 423 HZ2 LYS 59 HZ2 LYS 59 -14.588 -11.976 14.118 424 HZ3 LYS 59 HZ3 LYS 59 -14.269 -13.265 15.167 425 H GLN 60 HN GLN 60 -11.943 -18.890 15.564 426 HA GLN 60 HA GLN 60 -9.842 -17.192 14.903 427 HB2 GLN 60 HB2 GLN 60 -9.833 -18.305 17.007 428 HB3 GLN 60 HB1 GLN 60 -9.943 -19.890 16.254 429 HG2 GLN 60 HG2 GLN 60 -7.663 -19.627 15.389 430 HG3 GLN 60 HG1 GLN 60 -7.560 -18.045 16.164 431 HE21 GLN 60 HE21 GLN 60 -7.745 -21.497 16.700 432 HE22 GLN 60 HE22 GLN 60 -7.194 -21.466 18.336 433 H GLN 61 HN GLN 61 -10.358 -20.578 13.885 434 HA GLN 61 HA GLN 61 -7.940 -20.655 12.360 435 HB2 GLN 61 HB2 GLN 61 -10.312 -22.519 12.160 436 HB3 GLN 61 HB1 GLN 61 -8.664 -22.852 11.643 437 HG2 GLN 61 HG2 GLN 61 -9.533 -22.388 14.494 438 HG3 GLN 61 HG1 GLN 61 -9.267 -23.964 13.760 439 HE21 GLN 61 HE21 GLN 61 -7.706 -24.447 15.323 440 HE22 GLN 61 HE22 GLN 61 -6.122 -23.766 15.258 441 H CYS 62 HN CYS 62 -11.360 -20.196 11.555 442 HA CYS 62 HA CYS 62 -11.097 -20.270 8.768 443 HB2 CYS 62 HB2 CYS 62 -13.117 -18.794 10.470 444 HB3 CYS 62 HB1 CYS 62 -13.263 -19.051 8.733 445 HG CYS 62 HG CYS 62 -13.149 -21.926 9.106 446 H LEU 63 HN LEU 63 -10.963 -17.446 11.002 447 HA LEU 63 HA LEU 63 -10.391 -15.610 8.892 448 HB2 LEU 63 HB2 LEU 63 -9.912 -13.981 10.571 449 HB3 LEU 63 HB1 LEU 63 -11.288 -14.916 11.107 450 HG LEU 63 HG LEU 63 -9.479 -16.249 12.489 451 HD11 LEU 63 HD11 LEU 63 -7.646 -14.785 13.265 452 HD12 LEU 63 HD12 LEU 63 -8.100 -13.597 12.042 453 HD13 LEU 63 HD13 LEU 63 -7.508 -15.183 11.552 454 HD21 LEU 63 HD21 LEU 63 -11.342 -14.937 13.418 455 HD22 LEU 63 HD22 LEU 63 -10.370 -13.471 13.282 456 HD23 LEU 63 HD23 LEU 63 -9.871 -14.762 14.376 457 H GLN 64 HN GLN 64 -8.460 -17.620 11.002 458 HA GLN 64 HA GLN 64 -5.895 -16.683 10.433 459 HB2 GLN 64 HB2 GLN 64 -6.516 -18.355 12.192 460 HB3 GLN 64 HB1 GLN 64 -6.716 -19.554 10.925 461 HG2 GLN 64 HG2 GLN 64 -4.317 -19.214 10.323 462 HG3 GLN 64 HG1 GLN 64 -4.171 -18.168 11.738 463 HE21 GLN 64 HE21 GLN 64 -4.435 -19.088 13.814 464 HE22 GLN 64 HE22 GLN 64 -4.222 -20.780 14.077 465 H ARG 65 HN ARG 65 -8.055 -18.741 8.629 466 HA ARG 65 HA ARG 65 -6.193 -19.736 6.752 467 HB2 ARG 65 HB2 ARG 65 -8.388 -20.762 6.992 468 HB3 ARG 65 HB1 ARG 65 -9.177 -19.265 6.495 469 HG2 ARG 65 HG2 ARG 65 -7.948 -19.488 4.299 470 HG3 ARG 65 HG1 ARG 65 -7.486 -21.108 4.819 471 HD2 ARG 65 HD2 ARG 65 -9.823 -21.753 4.955 472 HD3 ARG 65 HD1 ARG 65 -10.323 -20.113 4.537 473 HE ARG 65 HE ARG 65 -8.657 -21.682 2.688 474 HH11 ARG 65 HH11 ARG 65 -11.675 -20.047 3.368 475 HH12 ARG 65 HH12 ARG 65 -12.201 -20.070 1.718 476 HH21 ARG 65 HH21 ARG 65 -9.327 -21.729 0.553 477 HH22 ARG 65 HH22 ARG 65 -10.856 -21.040 0.099 478 H ILE 66 HN ILE 66 -8.430 -16.956 6.596 479 HA ILE 66 HA ILE 66 -7.628 -16.333 3.923 480 HB ILE 66 HB ILE 66 -9.021 -14.252 4.221 481 HG12 ILE 66 HG12 ILE 66 -9.792 -15.575 6.837 482 HG13 ILE 66 HG11 ILE 66 -8.805 -14.123 6.709 483 HG21 ILE 66 HG21 ILE 66 -11.132 -15.484 4.126 484 HG22 ILE 66 HG22 ILE 66 -10.335 -16.913 4.783 485 HG23 ILE 66 HG23 ILE 66 -9.873 -16.298 3.196 486 HD11 ILE 66 HD11 ILE 66 -11.122 -13.591 7.243 487 HD12 ILE 66 HD12 ILE 66 -11.659 -14.404 5.772 488 HD13 ILE 66 HD13 ILE 66 -10.675 -12.944 5.663 489 H GLU 67 HN GLU 67 -6.689 -15.111 7.100 490 HA GLU 67 HA GLU 67 -5.335 -12.782 6.265 491 HB2 GLU 67 HB2 GLU 67 -3.979 -13.015 8.311 492 HB3 GLU 67 HB1 GLU 67 -5.696 -13.228 8.622 493 HG2 GLU 67 HG2 GLU 67 -5.437 -15.602 8.785 494 HG3 GLU 67 HG1 GLU 67 -3.751 -15.496 8.278 495 H GLN 68 HN GLN 68 -4.464 -16.164 6.128 496 HA GLN 68 HA GLN 68 -1.714 -15.644 5.346 497 HB2 GLN 68 HB2 GLN 68 -3.228 -18.266 5.464 498 HB3 GLN 68 HB1 GLN 68 -1.487 -18.078 5.310 499 HG2 GLN 68 HG2 GLN 68 -3.090 -17.150 7.686 500 HG3 GLN 68 HG1 GLN 68 -2.258 -18.699 7.590 501 HE21 GLN 68 HE21 GLN 68 -1.906 -16.408 9.404 502 HE22 GLN 68 HE22 GLN 68 -0.239 -15.971 9.272 503 H LEU 69 HN LEU 69 -4.647 -15.671 3.764 504 HA LEU 69 HA LEU 69 -3.558 -16.759 1.253 505 HB2 LEU 69 HB2 LEU 69 -6.412 -16.363 2.150 506 HB3 LEU 69 HB1 LEU 69 -5.969 -16.794 0.509 507 HG LEU 69 HG LEU 69 -5.489 -18.462 2.989 508 HD11 LEU 69 HD11 LEU 69 -7.304 -18.915 0.616 509 HD12 LEU 69 HD12 LEU 69 -7.822 -18.436 2.232 510 HD13 LEU 69 HD13 LEU 69 -7.075 -20.011 1.980 511 HD21 LEU 69 HD21 LEU 69 -4.788 -19.055 0.108 512 HD22 LEU 69 HD22 LEU 69 -4.651 -20.183 1.458 513 HD23 LEU 69 HD23 LEU 69 -3.645 -18.736 1.413 514 H TRP 70 HN TRP 70 -5.873 -14.255 2.226 515 HA TRP 70 HA TRP 70 -5.362 -12.752 -0.200 516 HB2 TRP 70 HB2 TRP 70 -7.662 -13.034 0.560 517 HB3 TRP 70 HB1 TRP 70 -7.270 -12.317 2.116 518 HD1 TRP 70 HD1 TRP 70 -6.732 -11.025 -1.522 519 HE1 TRP 70 HE1 TRP 70 -7.683 -8.643 -1.667 520 HE3 TRP 70 HE3 TRP 70 -8.484 -10.577 3.257 521 HZ2 TRP 70 HZ2 TRP 70 -9.008 -6.812 0.028 522 HZ3 TRP 70 HZ3 TRP 70 -9.580 -8.476 3.917 523 HH2 TRP 70 HH2 TRP 70 -9.836 -6.630 2.335 524 H THR 71 HN THR 71 -4.977 -12.354 3.282 525 HA THR 71 HA THR 71 -3.820 -9.719 2.994 526 HB THR 71 HB THR 71 -3.887 -11.186 5.610 527 HG1 THR 71 HG1 THR 71 -6.132 -10.401 5.741 528 HG21 THR 71 HG21 THR 71 -4.530 -8.332 4.821 529 HG22 THR 71 HG22 THR 71 -2.976 -8.883 5.444 530 HG23 THR 71 HG23 THR 71 -4.410 -8.964 6.466 531 H ASP 72 HN ASP 72 -2.601 -12.795 2.708 532 HA ASP 72 HA ASP 72 -0.747 -13.334 4.567 533 HB2 ASP 72 HB2 ASP 72 0.331 -14.785 3.040 534 HB3 ASP 72 HB1 ASP 72 -1.346 -14.691 2.513 535 H MET 73 HN MET 73 0.029 -11.181 1.776 536 HA MET 73 HA MET 73 2.779 -11.041 2.461 537 HB2 MET 73 HB2 MET 73 1.137 -9.135 0.785 538 HB3 MET 73 HB1 MET 73 2.877 -9.005 0.998 539 HG2 MET 73 HG2 MET 73 2.789 -11.528 0.170 540 HG3 MET 73 HG1 MET 73 1.294 -10.961 -0.573 541 HE1 MET 73 HE1 MET 73 2.329 -7.800 -0.925 542 HE2 MET 73 HE2 MET 73 1.309 -8.612 -2.113 543 HE3 MET 73 HE3 MET 73 2.812 -7.840 -2.619 544 H VAL 74 HN VAL 74 2.848 -10.719 4.611 545 HA VAL 74 HA VAL 74 1.737 -8.453 5.944 546 HB VAL 74 HB VAL 74 2.025 -10.525 7.150 547 HG11 VAL 74 HG11 VAL 74 4.983 -10.272 6.595 548 HG12 VAL 74 HG12 VAL 74 3.886 -11.471 5.908 549 HG13 VAL 74 HG13 VAL 74 4.237 -11.484 7.634 550 HG21 VAL 74 HG21 VAL 74 2.250 -8.496 8.491 551 HG22 VAL 74 HG22 VAL 74 3.989 -8.477 8.197 552 HG23 VAL 74 HG23 VAL 74 3.267 -9.788 9.132 553 HA PRO 75 HA PRO 75 5.113 -5.564 5.200 554 HB2 PRO 75 HB2 PRO 75 4.280 -4.209 7.680 555 HB3 PRO 75 HB1 PRO 75 4.244 -3.618 6.017 556 HG2 PRO 75 HG2 PRO 75 1.995 -4.223 7.374 557 HG3 PRO 75 HG1 PRO 75 2.135 -4.455 5.621 558 HD2 PRO 75 HD2 PRO 75 2.340 -6.479 7.825 559 HD3 PRO 75 HD1 PRO 75 1.528 -6.607 6.249 560 H ALA 76 HN ALA 76 6.488 -4.200 7.162 561 HA ALA 76 HA ALA 76 8.474 -5.994 7.939 562 HB1 ALA 76 HB1 ALA 76 9.393 -4.177 9.263 563 HB2 ALA 76 HB2 ALA 76 7.859 -3.311 9.172 564 HB3 ALA 76 HB3 ALA 76 8.815 -3.572 7.710 565 H SER 77 HN SER 77 5.456 -5.377 9.388 566 HA SER 77 HA SER 77 5.964 -5.768 12.096 567 HB2 SER 77 HB2 SER 77 3.547 -6.436 12.194 568 HB3 SER 77 HB1 SER 77 3.837 -4.918 11.351 569 HG SER 77 HG SER 77 2.573 -7.033 10.443 570 H VAL 78 HN VAL 78 6.094 -8.010 9.494 571 HA VAL 78 HA VAL 78 5.639 -10.432 10.812 572 HB VAL 78 HB VAL 78 5.937 -10.318 8.388 573 HG11 VAL 78 HG11 VAL 78 8.142 -10.064 7.362 574 HG12 VAL 78 HG12 VAL 78 8.854 -9.771 8.948 575 HG13 VAL 78 HG13 VAL 78 7.695 -8.622 8.276 576 HG21 VAL 78 HG21 VAL 78 8.007 -12.098 9.691 577 HG22 VAL 78 HG22 VAL 78 7.314 -12.318 8.083 578 HG23 VAL 78 HG23 VAL 78 6.291 -12.464 9.511 579 H ARG 79 HN ARG 79 8.575 -8.449 10.602 580 HA ARG 79 HA ARG 79 10.251 -10.321 11.947 581 HB2 ARG 79 HB2 ARG 79 10.601 -7.335 11.559 582 HB3 ARG 79 HB1 ARG 79 11.849 -8.433 12.133 583 HG2 ARG 79 HG2 ARG 79 11.596 -9.677 9.949 584 HG3 ARG 79 HG1 ARG 79 10.582 -8.341 9.404 585 HD2 ARG 79 HD2 ARG 79 13.452 -8.119 10.327 586 HD3 ARG 79 HD1 ARG 79 12.903 -8.087 8.653 587 HE ARG 79 HE ARG 79 11.745 -5.990 9.185 588 HH11 ARG 79 HH11 ARG 79 14.275 -7.055 11.360 589 HH12 ARG 79 HH12 ARG 79 14.624 -5.458 11.939 590 HH21 ARG 79 HH21 ARG 79 12.231 -3.875 9.926 591 HH22 ARG 79 HH22 ARG 79 13.457 -3.659 11.133 592 H GLU 80 HN GLU 80 8.074 -7.843 12.936 593 HA GLU 80 HA GLU 80 8.986 -7.280 15.515 594 HB2 GLU 80 HB2 GLU 80 7.254 -5.992 14.312 595 HB3 GLU 80 HB1 GLU 80 6.141 -7.341 14.474 596 HG2 GLU 80 HG2 GLU 80 6.255 -7.082 16.939 597 HG3 GLU 80 HG1 GLU 80 7.264 -5.655 16.706 598 H HIS 81 HN HIS 81 6.982 -9.928 14.292 599 HA HIS 81 HA HIS 81 6.590 -10.940 17.020 600 HB2 HIS 81 HB2 HIS 81 4.601 -10.820 15.565 601 HB3 HIS 81 HB1 HIS 81 5.379 -11.901 14.413 602 HD1 HIS 81 HD1 HIS 81 5.102 -14.375 14.818 603 HD2 HIS 81 HD2 HIS 81 3.985 -12.099 18.111 604 HE1 HIS 81 HE1 HIS 81 4.069 -15.994 16.435 605 HE2 HIS 81 HE2 HIS 81 3.370 -14.597 18.408 606 H LEU 82 HN LEU 82 8.836 -11.317 14.583 607 HA LEU 82 HA LEU 82 9.187 -14.120 14.529 608 HB2 LEU 82 HB2 LEU 82 11.102 -11.863 13.963 609 HB3 LEU 82 HB1 LEU 82 11.583 -13.544 13.839 610 HG LEU 82 HG LEU 82 9.457 -12.157 12.197 611 HD11 LEU 82 HD11 LEU 82 11.758 -11.618 11.556 612 HD12 LEU 82 HD12 LEU 82 10.949 -12.585 10.325 613 HD13 LEU 82 HD13 LEU 82 12.118 -13.338 11.408 614 HD21 LEU 82 HD21 LEU 82 9.304 -14.302 10.967 615 HD22 LEU 82 HD22 LEU 82 8.735 -14.422 12.631 616 HD23 LEU 82 HD23 LEU 82 10.325 -15.052 12.196 617 H ASN 83 HN ASN 83 9.901 -11.818 16.950 618 HA ASN 83 HA ASN 83 12.005 -13.100 18.304 619 HB2 ASN 83 HB2 ASN 83 11.252 -10.798 18.828 620 HB3 ASN 83 HB1 ASN 83 9.751 -11.445 19.485 621 HD21 ASN 83 HD21 ASN 83 10.132 -10.614 21.543 622 HD22 ASN 83 HD22 ASN 83 11.355 -11.250 22.586 623 H GLN 84 HN GLN 84 8.481 -13.447 18.549 624 HA GLN 84 HA GLN 84 8.632 -15.468 20.590 625 HB2 GLN 84 HB2 GLN 84 6.315 -14.566 18.858 626 HB3 GLN 84 HB1 GLN 84 6.179 -15.742 20.156 627 HG2 GLN 84 HG2 GLN 84 5.419 -13.644 20.984 628 HG3 GLN 84 HG1 GLN 84 6.966 -13.998 21.751 629 HE21 GLN 84 HE21 GLN 84 7.359 -11.846 22.229 630 HE22 GLN 84 HE22 GLN 84 7.757 -10.675 21.021 631 H HIS 85 HN HIS 85 10.024 -17.000 19.660 632 HA HIS 85 HA HIS 85 8.647 -18.888 17.889 633 HB2 HIS 85 HB2 HIS 85 10.608 -19.195 16.469 634 HB3 HIS 85 HB1 HIS 85 10.104 -17.509 16.425 635 HD1 HIS 85 HD1 HIS 85 11.665 -15.780 17.591 636 HD2 HIS 85 HD2 HIS 85 13.147 -19.660 17.530 637 HE1 HIS 85 HE1 HIS 85 14.094 -15.577 18.184 638 HE2 HIS 85 HE2 HIS 85 15.002 -17.923 18.009 639 H SER 86 HN SER 86 9.576 -18.575 20.760 640 HA SER 86 HA SER 86 11.530 -20.740 21.012 641 HB2 SER 86 HB2 SER 86 10.443 -18.917 23.176 642 HB3 SER 86 HB1 SER 86 11.898 -19.917 23.243 643 HG SER 86 HG SER 86 12.526 -17.833 22.778 644 H GLY 87 HN GLY 87 8.466 -20.891 20.495 645 HA2 GLY 87 HA2 GLY 87 7.490 -23.129 21.188 646 HA3 GLY 87 HA1 GLY 87 7.726 -22.551 22.833 647 HA PRO 88 HA PRO 88 3.801 -20.460 22.584 648 HB2 PRO 88 HB2 PRO 88 4.157 -18.252 24.089 649 HB3 PRO 88 HB1 PRO 88 4.174 -19.870 24.800 650 HG2 PRO 88 HG2 PRO 88 6.481 -18.108 24.060 651 HG3 PRO 88 HG1 PRO 88 6.248 -19.093 25.518 652 HD2 PRO 88 HD2 PRO 88 7.782 -19.879 23.389 653 HD3 PRO 88 HD1 PRO 88 6.963 -21.015 24.479 654 H GLY 89 HN GLY 89 5.136 -20.095 20.232 655 HA2 GLY 89 HA2 GLY 89 4.814 -17.224 19.610 656 HA3 GLY 89 HA1 GLY 89 5.782 -18.357 18.676 657 H ILE 90 HN ILE 90 2.802 -19.555 19.810 658 HA ILE 90 HA ILE 90 1.835 -19.799 17.098 659 HB ILE 90 HB ILE 90 -0.096 -21.038 18.195 660 HG12 ILE 90 HG12 ILE 90 1.706 -20.818 20.633 661 HG13 ILE 90 HG11 ILE 90 0.127 -20.063 20.457 662 HG21 ILE 90 HG21 ILE 90 1.810 -22.113 17.118 663 HG22 ILE 90 HG22 ILE 90 1.239 -23.052 18.500 664 HG23 ILE 90 HG23 ILE 90 2.703 -22.073 18.637 665 HD11 ILE 90 HD11 ILE 90 0.023 -22.061 21.834 666 HD12 ILE 90 HD12 ILE 90 0.660 -23.025 20.502 667 HD13 ILE 90 HD13 ILE 90 -0.923 -22.257 20.358 668 H ASP 91 HN ASP 91 1.537 -17.645 16.661 669 HA ASP 91 HA ASP 91 -0.975 -16.503 17.718 670 HB2 ASP 91 HB2 ASP 91 1.573 -14.999 17.035 671 HB3 ASP 91 HB1 ASP 91 0.029 -14.234 17.387 672 H TYR 92 HN TYR 92 -2.042 -15.057 16.197 673 HA TYR 92 HA TYR 92 -1.946 -16.069 13.512 674 HB2 TYR 92 HB2 TYR 92 -3.746 -14.311 13.118 675 HB3 TYR 92 HB1 TYR 92 -4.117 -15.552 14.307 676 HD1 TYR 92 HD2 TYR 92 -2.558 -12.134 14.220 677 HD2 TYR 92 HD1 TYR 92 -5.139 -14.843 16.253 678 HE1 TYR 92 HE2 TYR 92 -3.084 -10.390 15.871 679 HE2 TYR 92 HE1 TYR 92 -5.674 -13.105 17.904 680 HH TYR 92 HH TYR 92 -4.788 -11.057 18.782 681 H ALA 93 HN ALA 93 -2.206 -14.236 11.753 682 HA ALA 93 HA ALA 93 0.202 -12.544 11.960 683 HB1 ALA 93 HB1 ALA 93 -1.021 -13.768 9.477 684 HB2 ALA 93 HB2 ALA 93 0.378 -14.407 10.338 685 HB3 ALA 93 HB3 ALA 93 0.470 -12.828 9.558 686 H VAL 94 HN VAL 94 -0.563 -11.309 9.353 687 HA VAL 94 HA VAL 94 -2.138 -9.174 10.444 688 HB VAL 94 HB VAL 94 -0.269 -8.618 9.010 689 HG11 VAL 94 HG11 VAL 94 -0.268 -9.121 6.598 690 HG12 VAL 94 HG12 VAL 94 -1.714 -10.106 6.814 691 HG13 VAL 94 HG13 VAL 94 -0.201 -10.585 7.582 692 HG21 VAL 94 HG21 VAL 94 -2.156 -7.077 9.027 693 HG22 VAL 94 HG22 VAL 94 -2.897 -7.945 7.682 694 HG23 VAL 94 HG23 VAL 94 -1.374 -7.085 7.445 695 H ARG 95 HN ARG 95 -4.238 -9.577 10.683 696 HA ARG 95 HA ARG 95 -5.792 -10.136 8.261 697 HB2 ARG 95 HB2 ARG 95 -7.482 -11.308 9.516 698 HB3 ARG 95 HB1 ARG 95 -5.937 -12.056 9.870 699 HG2 ARG 95 HG2 ARG 95 -7.369 -10.104 11.670 700 HG3 ARG 95 HG1 ARG 95 -7.392 -11.857 11.844 701 HD2 ARG 95 HD2 ARG 95 -4.998 -11.879 12.225 702 HD3 ARG 95 HD1 ARG 95 -4.911 -10.139 11.952 703 HE ARG 95 HE ARG 95 -5.743 -11.488 14.346 704 HH11 ARG 95 HH11 ARG 95 -6.139 -8.525 12.504 705 HH12 ARG 95 HH12 ARG 95 -6.402 -7.549 13.917 706 HH21 ARG 95 HH21 ARG 95 -6.092 -10.181 16.205 707 HH22 ARG 95 HH22 ARG 95 -6.384 -8.484 16.007 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -42.455 -40.365 -3.594 2 H2 MET 1 HT2 MET 1 -43.893 -40.071 -4.427 3 H3 MET 1 HT3 MET 1 -42.845 -41.291 -4.948 4 HA MET 1 HA MET 1 -44.278 -41.267 -2.364 5 HB2 MET 1 HB2 MET 1 -44.821 -42.734 -4.952 6 HB3 MET 1 HB1 MET 1 -45.486 -43.259 -3.410 7 HG2 MET 1 HG2 MET 1 -47.121 -41.967 -4.624 8 HG3 MET 1 HG1 MET 1 -46.622 -41.096 -3.174 9 HE1 MET 1 HE1 MET 1 -47.601 -38.813 -4.025 10 HE2 MET 1 HE2 MET 1 -48.218 -39.644 -5.454 11 HE3 MET 1 HE3 MET 1 -47.298 -38.150 -5.631 12 H ALA 2 HN ALA 2 -42.894 -42.122 -0.958 13 HA ALA 2 HA ALA 2 -41.514 -43.587 0.090 14 HB1 ALA 2 HB1 ALA 2 -42.598 -45.555 -1.927 15 HB2 ALA 2 HB2 ALA 2 -43.359 -45.135 -0.391 16 HB3 ALA 2 HB3 ALA 2 -41.797 -45.954 -0.408 17 H HIS 3 HN HIS 3 -40.328 -41.990 -1.934 18 HA HIS 3 HA HIS 3 -38.047 -43.725 -2.593 19 HB2 HIS 3 HB2 HIS 3 -39.550 -41.904 -4.438 20 HB3 HIS 3 HB1 HIS 3 -37.812 -42.086 -4.656 21 HD1 HIS 3 HD1 HIS 3 -36.950 -44.337 -5.535 22 HD2 HIS 3 HD2 HIS 3 -41.081 -44.170 -5.103 23 HE1 HIS 3 HE1 HIS 3 -37.833 -46.362 -6.722 24 HE2 HIS 3 HE2 HIS 3 -40.334 -46.134 -6.613 25 H HIS 4 HN HIS 4 -36.220 -43.014 -1.851 26 HA HIS 4 HA HIS 4 -35.689 -40.139 -1.629 27 HB2 HIS 4 HB2 HIS 4 -35.217 -42.155 0.598 28 HB3 HIS 4 HB1 HIS 4 -34.600 -40.507 0.593 29 HD1 HIS 4 HD1 HIS 4 -37.640 -42.507 1.276 30 HD2 HIS 4 HD2 HIS 4 -36.571 -38.504 0.987 31 HE1 HIS 4 HE1 HIS 4 -39.553 -41.225 2.279 32 HE2 HIS 4 HE2 HIS 4 -38.781 -38.829 2.286 33 H HIS 5 HN HIS 5 -33.908 -39.808 -2.830 34 HA HIS 5 HA HIS 5 -32.192 -42.062 -3.487 35 HB2 HIS 5 HB2 HIS 5 -32.165 -39.193 -4.471 36 HB3 HIS 5 HB1 HIS 5 -31.097 -40.463 -5.061 37 HD1 HIS 5 HD1 HIS 5 -33.774 -38.758 -6.307 38 HD2 HIS 5 HD2 HIS 5 -33.141 -42.827 -5.727 39 HE1 HIS 5 HE1 HIS 5 -35.349 -39.920 -7.888 40 HE2 HIS 5 HE2 HIS 5 -34.851 -42.375 -7.611 41 H HIS 6 HN HIS 6 -31.000 -38.773 -3.047 42 HA HIS 6 HA HIS 6 -29.557 -39.448 -0.627 43 HB2 HIS 6 HB2 HIS 6 -28.043 -38.750 -3.168 44 HB3 HIS 6 HB1 HIS 6 -27.331 -38.942 -1.572 45 HD1 HIS 6 HD1 HIS 6 -28.434 -40.818 -4.555 46 HD2 HIS 6 HD2 HIS 6 -27.160 -41.660 -0.689 47 HE1 HIS 6 HE1 HIS 6 -27.904 -43.270 -4.539 48 HE2 HIS 6 HE2 HIS 6 -26.940 -43.707 -2.260 49 H HIS 7 HN HIS 7 -27.927 -37.459 -0.283 50 HA HIS 7 HA HIS 7 -28.993 -34.964 -1.396 51 HB2 HIS 7 HB2 HIS 7 -28.556 -35.470 1.566 52 HB3 HIS 7 HB1 HIS 7 -28.769 -33.869 0.867 53 HD1 HIS 7 HD1 HIS 7 -30.632 -36.274 2.618 54 HD2 HIS 7 HD2 HIS 7 -31.422 -33.914 -0.713 55 HE1 HIS 7 HE1 HIS 7 -33.134 -36.185 2.433 56 HE2 HIS 7 HE2 HIS 7 -33.587 -34.626 0.511 57 H HIS 8 HN HIS 8 -27.064 -35.284 -2.697 58 HA HIS 8 HA HIS 8 -24.515 -35.002 -1.252 59 HB2 HIS 8 HB2 HIS 8 -23.418 -35.846 -3.225 60 HB3 HIS 8 HB1 HIS 8 -24.764 -36.913 -2.850 61 HD1 HIS 8 HD1 HIS 8 -26.464 -37.293 -4.684 62 HD2 HIS 8 HD2 HIS 8 -23.880 -34.143 -5.513 63 HE1 HIS 8 HE1 HIS 8 -26.927 -36.646 -7.065 64 HE2 HIS 8 HE2 HIS 8 -25.196 -34.902 -7.600 65 H MET 9 HN MET 9 -22.948 -33.515 -1.989 66 HA MET 9 HA MET 9 -23.729 -31.448 -3.865 67 HB2 MET 9 HB2 MET 9 -23.318 -29.609 -2.282 68 HB3 MET 9 HB1 MET 9 -24.674 -30.601 -1.770 69 HG2 MET 9 HG2 MET 9 -23.208 -31.741 -0.151 70 HG3 MET 9 HG1 MET 9 -21.875 -30.699 -0.646 71 HE1 MET 9 HE1 MET 9 -25.435 -30.833 1.007 72 HE2 MET 9 HE2 MET 9 -25.662 -29.650 -0.280 73 HE3 MET 9 HE3 MET 9 -25.707 -29.138 1.408 74 H GLY 10 HN GLY 10 -21.950 -30.219 -4.600 75 HA2 GLY 10 HA2 GLY 10 -19.542 -31.614 -4.861 76 HA3 GLY 10 HA1 GLY 10 -19.779 -29.920 -5.256 77 H THR 11 HN THR 11 -18.092 -32.028 -3.347 78 HA THR 11 HA THR 11 -17.770 -30.721 -0.906 79 HB THR 11 HB THR 11 -15.471 -31.836 -0.914 80 HG1 THR 11 HG1 THR 11 -15.336 -31.833 -3.272 81 HG21 THR 11 HG21 THR 11 -17.472 -32.919 0.041 82 HG22 THR 11 HG22 THR 11 -16.389 -34.093 -0.711 83 HG23 THR 11 HG23 THR 11 -17.861 -33.587 -1.544 84 H LEU 12 HN LEU 12 -17.200 -28.682 -0.603 85 HA LEU 12 HA LEU 12 -16.025 -27.064 -2.616 86 HB2 LEU 12 HB2 LEU 12 -16.411 -26.496 0.329 87 HB3 LEU 12 HB1 LEU 12 -16.059 -25.301 -0.907 88 HG LEU 12 HG LEU 12 -18.572 -26.985 -0.806 89 HD11 LEU 12 HD11 LEU 12 -18.510 -25.425 1.057 90 HD12 LEU 12 HD12 LEU 12 -19.706 -24.918 -0.136 91 HD13 LEU 12 HD13 LEU 12 -18.148 -24.095 -0.045 92 HD21 LEU 12 HD21 LEU 12 -18.011 -26.344 -3.075 93 HD22 LEU 12 HD22 LEU 12 -17.791 -24.664 -2.583 94 HD23 LEU 12 HD23 LEU 12 -19.393 -25.402 -2.518 95 H GLU 13 HN GLU 13 -14.755 -28.764 0.158 96 HA GLU 13 HA GLU 13 -12.140 -27.488 -0.192 97 HB2 GLU 13 HB2 GLU 13 -11.769 -29.040 1.994 98 HB3 GLU 13 HB1 GLU 13 -12.357 -27.388 2.055 99 HG2 GLU 13 HG2 GLU 13 -13.672 -28.831 3.490 100 HG3 GLU 13 HG1 GLU 13 -14.653 -28.182 2.183 101 H ALA 14 HN ALA 14 -11.668 -28.589 -2.151 102 HA ALA 14 HA ALA 14 -11.389 -31.388 -2.368 103 HB1 ALA 14 HB1 ALA 14 -9.937 -30.927 -4.275 104 HB2 ALA 14 HB2 ALA 14 -9.788 -29.241 -3.777 105 HB3 ALA 14 HB3 ALA 14 -11.347 -29.867 -4.314 106 H GLN 15 HN GLN 15 -10.167 -32.625 -1.109 107 HA GLN 15 HA GLN 15 -8.594 -33.348 0.344 108 HB2 GLN 15 HB2 GLN 15 -6.866 -31.261 -1.011 109 HB3 GLN 15 HB1 GLN 15 -6.266 -32.416 0.173 110 HG2 GLN 15 HG2 GLN 15 -6.862 -34.263 -1.287 111 HG3 GLN 15 HG1 GLN 15 -7.538 -33.140 -2.465 112 HE21 GLN 15 HE21 GLN 15 -6.134 -33.841 -4.067 113 HE22 GLN 15 HE22 GLN 15 -4.458 -33.419 -4.076 114 H THR 16 HN THR 16 -9.499 -32.842 2.254 115 HA THR 16 HA THR 16 -9.569 -30.103 3.183 116 HB THR 16 HB THR 16 -11.567 -31.417 3.504 117 HG1 THR 16 HG1 THR 16 -10.732 -29.909 5.224 118 HG21 THR 16 HG21 THR 16 -9.935 -33.281 5.235 119 HG22 THR 16 HG22 THR 16 -10.546 -33.653 3.623 120 HG23 THR 16 HG23 THR 16 -11.674 -33.373 4.951 121 H GLN 17 HN GLN 17 -7.465 -29.572 3.591 122 HA GLN 17 HA GLN 17 -6.339 -30.657 6.064 123 HB2 GLN 17 HB2 GLN 17 -4.081 -30.777 5.083 124 HB3 GLN 17 HB1 GLN 17 -5.191 -31.901 4.314 125 HG2 GLN 17 HG2 GLN 17 -5.410 -30.424 2.397 126 HG3 GLN 17 HG1 GLN 17 -4.386 -29.221 3.179 127 HE21 GLN 17 HE21 GLN 17 -2.896 -29.261 1.500 128 HE22 GLN 17 HE22 GLN 17 -1.818 -30.589 1.253 129 H GLY 18 HN GLY 18 -7.645 -28.138 4.917 130 HA2 GLY 18 HA2 GLY 18 -5.636 -26.091 5.120 131 HA3 GLY 18 HA1 GLY 18 -7.380 -25.851 5.067 132 HA PRO 19 HA PRO 19 -5.297 -25.187 9.438 133 HB2 PRO 19 HB2 PRO 19 -6.611 -22.555 8.832 134 HB3 PRO 19 HB1 PRO 19 -5.151 -22.890 9.776 135 HG2 PRO 19 HG2 PRO 19 -4.938 -21.978 7.296 136 HG3 PRO 19 HG1 PRO 19 -3.847 -23.252 7.877 137 HD2 PRO 19 HD2 PRO 19 -6.188 -23.459 6.031 138 HD3 PRO 19 HD1 PRO 19 -4.667 -24.374 6.033 139 H GLY 20 HN GLY 20 -6.631 -26.373 10.652 140 HA2 GLY 20 HA2 GLY 20 -9.269 -25.289 11.295 141 HA3 GLY 20 HA1 GLY 20 -9.201 -26.936 10.675 142 H SER 21 HN SER 21 -10.139 -26.112 13.260 143 HA SER 21 HA SER 21 -8.559 -27.906 14.876 144 HB2 SER 21 HB2 SER 21 -8.915 -25.029 15.778 145 HB3 SER 21 HB1 SER 21 -8.148 -26.324 16.699 146 HG SER 21 HG SER 21 -6.755 -26.426 14.649 147 H MET 22 HN MET 22 -9.731 -28.787 16.565 148 HA MET 22 HA MET 22 -12.604 -28.381 16.480 149 HB2 MET 22 HB2 MET 22 -10.942 -30.275 18.171 150 HB3 MET 22 HB1 MET 22 -12.689 -30.318 17.998 151 HG2 MET 22 HG2 MET 22 -12.485 -30.924 15.667 152 HG3 MET 22 HG1 MET 22 -10.732 -30.754 15.750 153 HE1 MET 22 HE1 MET 22 -10.361 -33.156 14.741 154 HE2 MET 22 HE2 MET 22 -12.103 -33.400 14.603 155 HE3 MET 22 HE3 MET 22 -11.100 -34.624 15.379 156 H ASP 23 HN ASP 23 -13.171 -26.497 17.525 157 HA ASP 23 HA ASP 23 -12.947 -26.488 20.388 158 HB2 ASP 23 HB2 ASP 23 -10.783 -25.491 19.778 159 HB3 ASP 23 HB1 ASP 23 -11.618 -24.243 18.864 160 H ASP 24 HN ASP 24 -14.959 -26.260 20.743 161 HA ASP 24 HA ASP 24 -17.104 -25.542 20.794 162 HB2 ASP 24 HB2 ASP 24 -15.909 -23.931 22.227 163 HB3 ASP 24 HB1 ASP 24 -15.729 -22.852 20.848 164 H GLU 25 HN GLU 25 -16.130 -22.632 19.058 165 HA GLU 25 HA GLU 25 -18.486 -22.935 17.406 166 HB2 GLU 25 HB2 GLU 25 -17.936 -20.610 16.671 167 HB3 GLU 25 HB1 GLU 25 -18.119 -20.781 18.410 168 HG2 GLU 25 HG2 GLU 25 -15.646 -20.894 18.617 169 HG3 GLU 25 HG1 GLU 25 -15.523 -20.577 16.888 170 H LEU 26 HN LEU 26 -18.571 -23.211 15.221 171 HA LEU 26 HA LEU 26 -16.015 -23.505 13.775 172 HB2 LEU 26 HB2 LEU 26 -18.570 -25.081 13.474 173 HB3 LEU 26 HB1 LEU 26 -17.353 -25.033 12.218 174 HG LEU 26 HG LEU 26 -15.718 -25.899 13.988 175 HD11 LEU 26 HD11 LEU 26 -18.292 -26.565 15.409 176 HD12 LEU 26 HD12 LEU 26 -17.045 -25.453 15.970 177 HD13 LEU 26 HD13 LEU 26 -16.694 -27.175 15.835 178 HD21 LEU 26 HD21 LEU 26 -16.447 -28.238 13.655 179 HD22 LEU 26 HD22 LEU 26 -16.445 -27.280 12.176 180 HD23 LEU 26 HD23 LEU 26 -17.970 -27.637 12.994 181 H TYR 27 HN TYR 27 -15.806 -22.516 11.860 182 HA TYR 27 HA TYR 27 -18.038 -20.900 10.817 183 HB2 TYR 27 HB2 TYR 27 -15.146 -20.072 11.235 184 HB3 TYR 27 HB1 TYR 27 -16.268 -19.174 10.226 185 HD1 TYR 27 HD1 TYR 27 -16.485 -20.655 13.670 186 HD2 TYR 27 HD2 TYR 27 -16.874 -17.189 11.229 187 HE1 TYR 27 HE1 TYR 27 -17.160 -19.356 15.629 188 HE2 TYR 27 HE2 TYR 27 -17.561 -15.879 13.198 189 HH TYR 27 HH TYR 27 -17.161 -17.031 16.368 190 H PHE 28 HN PHE 28 -17.940 -20.480 8.569 191 HA PHE 28 HA PHE 28 -15.879 -21.913 7.022 192 HB2 PHE 28 HB2 PHE 28 -18.739 -21.210 6.396 193 HB3 PHE 28 HB1 PHE 28 -17.580 -21.350 5.076 194 HD1 PHE 28 HD1 PHE 28 -16.123 -23.548 5.146 195 HD2 PHE 28 HD2 PHE 28 -19.926 -23.086 6.972 196 HE1 PHE 28 HE1 PHE 28 -16.435 -25.982 5.116 197 HE2 PHE 28 HE2 PHE 28 -20.225 -25.546 6.952 198 HZ PHE 28 HZ PHE 28 -18.488 -26.975 6.005 199 H VAL 29 HN VAL 29 -15.307 -20.749 4.966 200 HA VAL 29 HA VAL 29 -15.027 -17.872 5.474 201 HB VAL 29 HB VAL 29 -13.832 -19.564 3.258 202 HG11 VAL 29 HG11 VAL 29 -14.049 -17.193 2.688 203 HG12 VAL 29 HG12 VAL 29 -12.361 -17.658 2.869 204 HG13 VAL 29 HG13 VAL 29 -13.167 -16.757 4.152 205 HG21 VAL 29 HG21 VAL 29 -12.545 -18.598 5.817 206 HG22 VAL 29 HG22 VAL 29 -11.721 -19.449 4.508 207 HG23 VAL 29 HG23 VAL 29 -12.977 -20.266 5.441 208 H VAL 30 HN VAL 30 -16.334 -16.438 4.398 209 HA VAL 30 HA VAL 30 -18.038 -17.545 2.262 210 HB VAL 30 HB VAL 30 -19.951 -16.324 3.136 211 HG11 VAL 30 HG11 VAL 30 -19.637 -18.605 3.896 212 HG12 VAL 30 HG12 VAL 30 -20.334 -17.627 5.192 213 HG13 VAL 30 HG13 VAL 30 -18.627 -18.049 5.230 214 HG21 VAL 30 HG21 VAL 30 -19.871 -15.177 5.304 215 HG22 VAL 30 HG22 VAL 30 -18.760 -14.437 4.152 216 HG23 VAL 30 HG23 VAL 30 -18.140 -15.500 5.419 217 H ARG 31 HN ARG 31 -19.050 -16.018 0.887 218 HA ARG 31 HA ARG 31 -18.358 -13.237 0.878 219 HB2 ARG 31 HB2 ARG 31 -17.068 -13.268 -1.265 220 HB3 ARG 31 HB1 ARG 31 -16.203 -13.992 0.082 221 HG2 ARG 31 HG2 ARG 31 -16.550 -16.190 -0.746 222 HG3 ARG 31 HG1 ARG 31 -17.734 -15.635 -1.931 223 HD2 ARG 31 HD2 ARG 31 -16.073 -14.580 -3.245 224 HD3 ARG 31 HD1 ARG 31 -14.877 -14.693 -1.958 225 HE ARG 31 HE ARG 31 -14.904 -17.141 -2.351 226 HH11 ARG 31 HH11 ARG 31 -16.100 -15.078 -4.910 227 HH12 ARG 31 HH12 ARG 31 -15.522 -16.117 -6.176 228 HH21 ARG 31 HH21 ARG 31 -14.115 -18.487 -4.032 229 HH22 ARG 31 HH22 ARG 31 -14.422 -18.045 -5.683 230 H ASN 32 HN ASN 32 -19.269 -12.149 -1.127 231 HA ASN 32 HA ASN 32 -20.652 -13.970 -2.941 232 HB2 ASN 32 HB2 ASN 32 -22.663 -12.401 -3.001 233 HB3 ASN 32 HB1 ASN 32 -22.521 -13.447 -1.600 234 HD21 ASN 32 HD21 ASN 32 -20.523 -10.563 -1.827 235 HD22 ASN 32 HD22 ASN 32 -21.382 -9.663 -0.643 236 H ASN 33 HN ASN 33 -20.626 -13.368 -4.989 237 HA ASN 33 HA ASN 33 -19.671 -12.415 -6.839 238 HB2 ASN 33 HB2 ASN 33 -21.596 -10.367 -5.762 239 HB3 ASN 33 HB1 ASN 33 -20.879 -10.244 -7.367 240 HD21 ASN 33 HD21 ASN 33 -23.158 -11.928 -5.377 241 HD22 ASN 33 HD22 ASN 33 -23.887 -12.857 -6.643 242 H GLU 34 HN GLU 34 -18.007 -11.654 -4.344 243 HA GLU 34 HA GLU 34 -16.910 -9.121 -5.385 244 HB2 GLU 34 HB2 GLU 34 -16.075 -8.687 -3.111 245 HB3 GLU 34 HB1 GLU 34 -17.822 -8.875 -3.150 246 HG2 GLU 34 HG2 GLU 34 -17.451 -11.273 -2.429 247 HG3 GLU 34 HG1 GLU 34 -15.773 -10.823 -2.136 248 H GLY 35 HN GLY 35 -16.137 -12.396 -4.475 249 HA2 GLY 35 HA2 GLY 35 -14.275 -13.651 -5.071 250 HA3 GLY 35 HA1 GLY 35 -13.555 -12.208 -5.768 251 H GLN 36 HN GLN 36 -14.333 -11.054 -2.918 252 HA GLN 36 HA GLN 36 -11.739 -11.552 -1.718 253 HB2 GLN 36 HB2 GLN 36 -14.044 -9.845 -0.724 254 HB3 GLN 36 HB1 GLN 36 -12.390 -9.818 -0.120 255 HG2 GLN 36 HG2 GLN 36 -11.598 -8.992 -2.273 256 HG3 GLN 36 HG1 GLN 36 -13.240 -9.057 -2.912 257 HE21 GLN 36 HE21 GLN 36 -13.287 -6.887 -3.373 258 HE22 GLN 36 HE22 GLN 36 -13.386 -5.670 -2.149 259 H TYR 37 HN TYR 37 -11.908 -11.847 0.863 260 HA TYR 37 HA TYR 37 -13.839 -14.026 1.297 261 HB2 TYR 37 HB2 TYR 37 -10.855 -14.112 1.559 262 HB3 TYR 37 HB1 TYR 37 -11.839 -15.112 2.624 263 HD1 TYR 37 HD2 TYR 37 -13.998 -16.031 1.016 264 HD2 TYR 37 HD1 TYR 37 -9.924 -15.507 -0.111 265 HE1 TYR 37 HE2 TYR 37 -14.275 -17.724 -0.742 266 HE2 TYR 37 HE1 TYR 37 -10.195 -17.196 -1.882 267 HH TYR 37 HH TYR 37 -11.643 -19.079 -2.446 268 H SER 38 HN SER 38 -14.895 -14.030 3.103 269 HA SER 38 HA SER 38 -13.763 -12.752 5.496 270 HB2 SER 38 HB2 SER 38 -15.545 -11.288 4.537 271 HB3 SER 38 HB1 SER 38 -16.680 -12.633 4.651 272 HG SER 38 HG SER 38 -17.048 -11.827 6.555 273 H VAL 39 HN VAL 39 -15.403 -13.561 7.424 274 HA VAL 39 HA VAL 39 -15.735 -16.464 7.019 275 HB VAL 39 HB VAL 39 -15.055 -16.803 9.394 276 HG11 VAL 39 HG11 VAL 39 -12.654 -16.623 8.979 277 HG12 VAL 39 HG12 VAL 39 -12.957 -15.511 7.643 278 HG13 VAL 39 HG13 VAL 39 -13.494 -17.188 7.531 279 HG21 VAL 39 HG21 VAL 39 -13.803 -15.018 10.539 280 HG22 VAL 39 HG22 VAL 39 -15.476 -14.548 10.235 281 HG23 VAL 39 HG23 VAL 39 -14.185 -13.910 9.217 282 H TRP 40 HN TRP 40 -17.354 -17.490 8.200 283 HA TRP 40 HA TRP 40 -19.345 -15.881 9.600 284 HB2 TRP 40 HB2 TRP 40 -19.900 -15.690 7.193 285 HB3 TRP 40 HB1 TRP 40 -19.938 -17.439 7.064 286 HD1 TRP 40 HD1 TRP 40 -22.096 -18.695 8.051 287 HE1 TRP 40 HE1 TRP 40 -24.469 -17.844 8.559 288 HE3 TRP 40 HE3 TRP 40 -21.154 -13.671 8.099 289 HZ2 TRP 40 HZ2 TRP 40 -25.763 -15.370 8.932 290 HZ3 TRP 40 HZ3 TRP 40 -23.019 -12.126 8.541 291 HH2 TRP 40 HH2 TRP 40 -25.279 -12.961 8.952 292 H MET 41 HN MET 41 -20.665 -17.161 10.948 293 HA MET 41 HA MET 41 -19.402 -19.609 11.747 294 HB2 MET 41 HB2 MET 41 -20.354 -17.965 13.360 295 HB3 MET 41 HB1 MET 41 -21.966 -18.382 12.792 296 HG2 MET 41 HG2 MET 41 -21.677 -20.665 13.574 297 HG3 MET 41 HG1 MET 41 -20.029 -20.300 14.089 298 HE1 MET 41 HE1 MET 41 -21.813 -20.708 17.521 299 HE2 MET 41 HE2 MET 41 -20.389 -21.116 16.565 300 HE3 MET 41 HE3 MET 41 -21.981 -21.670 16.051 301 H ASP 42 HN ASP 42 -20.131 -21.679 11.613 302 HA ASP 42 HA ASP 42 -21.960 -22.356 9.518 303 HB2 ASP 42 HB2 ASP 42 -20.031 -23.783 9.932 304 HB3 ASP 42 HB1 ASP 42 -20.547 -24.065 11.591 305 H GLY 43 HN GLY 43 -23.964 -23.376 9.692 306 HA2 GLY 43 HA2 GLY 43 -25.850 -24.237 10.802 307 HA3 GLY 43 HA1 GLY 43 -25.184 -23.690 12.333 308 H ARG 44 HN ARG 44 -24.886 -21.245 10.116 309 HA ARG 44 HA ARG 44 -27.468 -20.033 10.881 310 HB2 ARG 44 HB2 ARG 44 -25.567 -19.016 12.091 311 HB3 ARG 44 HB1 ARG 44 -24.797 -18.641 10.556 312 HG2 ARG 44 HG2 ARG 44 -26.594 -17.120 9.984 313 HG3 ARG 44 HG1 ARG 44 -27.464 -17.555 11.458 314 HD2 ARG 44 HD2 ARG 44 -25.694 -16.616 12.824 315 HD3 ARG 44 HD1 ARG 44 -24.729 -16.277 11.389 316 HE ARG 44 HE ARG 44 -27.249 -15.000 11.188 317 HH11 ARG 44 HH11 ARG 44 -24.187 -14.757 12.873 318 HH12 ARG 44 HH12 ARG 44 -24.300 -13.044 13.102 319 HH21 ARG 44 HH21 ARG 44 -27.404 -12.746 11.487 320 HH22 ARG 44 HH22 ARG 44 -26.140 -11.900 12.327 321 H SER 45 HN SER 45 -28.703 -19.865 9.166 322 HA SER 45 HA SER 45 -27.912 -20.337 6.537 323 HB2 SER 45 HB2 SER 45 -30.413 -18.921 7.513 324 HB3 SER 45 HB1 SER 45 -30.195 -19.661 5.925 325 HG SER 45 HG SER 45 -30.013 -21.065 8.395 326 H LEU 46 HN LEU 46 -26.910 -19.143 5.124 327 HA LEU 46 HA LEU 46 -26.441 -16.347 5.512 328 HB2 LEU 46 HB2 LEU 46 -25.550 -18.441 3.577 329 HB3 LEU 46 HB1 LEU 46 -25.391 -16.759 3.110 330 HG LEU 46 HG LEU 46 -24.173 -17.940 5.617 331 HD11 LEU 46 HD11 LEU 46 -23.156 -18.921 3.634 332 HD12 LEU 46 HD12 LEU 46 -22.046 -17.799 4.417 333 HD13 LEU 46 HD13 LEU 46 -22.899 -17.316 2.954 334 HD21 LEU 46 HD21 LEU 46 -22.910 -15.857 5.691 335 HD22 LEU 46 HD22 LEU 46 -24.641 -15.534 5.742 336 HD23 LEU 46 HD23 LEU 46 -23.741 -15.281 4.246 337 HA PRO 47 HA PRO 47 -29.824 -14.660 3.109 338 HB2 PRO 47 HB2 PRO 47 -27.687 -12.739 2.284 339 HB3 PRO 47 HB1 PRO 47 -29.305 -12.416 2.916 340 HG2 PRO 47 HG2 PRO 47 -27.127 -12.116 4.444 341 HG3 PRO 47 HG1 PRO 47 -28.653 -12.728 5.116 342 HD2 PRO 47 HD2 PRO 47 -26.145 -14.204 4.458 343 HD3 PRO 47 HD1 PRO 47 -27.337 -14.511 5.736 344 H ALA 48 HN ALA 48 -30.483 -14.953 1.046 345 HA ALA 48 HA ALA 48 -29.159 -16.567 -0.751 346 HB1 ALA 48 HB1 ALA 48 -31.559 -16.145 -0.859 347 HB2 ALA 48 HB2 ALA 48 -30.802 -15.815 -2.419 348 HB3 ALA 48 HB3 ALA 48 -31.258 -14.482 -1.357 349 H GLY 49 HN GLY 49 -27.538 -16.279 -2.144 350 HA2 GLY 49 HA2 GLY 49 -26.466 -14.887 -3.852 351 HA3 GLY 49 HA1 GLY 49 -26.690 -13.516 -2.775 352 H TRP 50 HN TRP 50 -25.919 -15.117 -0.380 353 HA TRP 50 HA TRP 50 -23.067 -14.736 -0.580 354 HB2 TRP 50 HB2 TRP 50 -24.836 -15.837 1.614 355 HB3 TRP 50 HB1 TRP 50 -23.088 -15.689 1.773 356 HD1 TRP 50 HD1 TRP 50 -26.079 -13.331 0.953 357 HE1 TRP 50 HE1 TRP 50 -25.617 -11.060 2.083 358 HE3 TRP 50 HE3 TRP 50 -21.470 -14.336 2.927 359 HZ2 TRP 50 HZ2 TRP 50 -23.554 -9.855 3.601 360 HZ3 TRP 50 HZ3 TRP 50 -20.318 -12.575 4.201 361 HH2 TRP 50 HH2 TRP 50 -21.339 -10.380 4.531 362 H GLU 51 HN GLU 51 -21.455 -16.375 -0.213 363 HA GLU 51 HA GLU 51 -22.287 -19.138 -0.752 364 HB2 GLU 51 HB2 GLU 51 -20.621 -19.448 -2.451 365 HB3 GLU 51 HB1 GLU 51 -21.555 -18.024 -2.886 366 HG2 GLU 51 HG2 GLU 51 -19.722 -16.642 -1.851 367 HG3 GLU 51 HG1 GLU 51 -18.777 -18.119 -1.728 368 H THR 52 HN THR 52 -20.865 -20.717 0.010 369 HA THR 52 HA THR 52 -19.098 -19.830 2.201 370 HB THR 52 HB THR 52 -19.529 -22.192 3.085 371 HG1 THR 52 HG1 THR 52 -20.390 -22.933 1.004 372 HG21 THR 52 HG21 THR 52 -21.722 -21.623 4.033 373 HG22 THR 52 HG22 THR 52 -21.909 -20.337 2.840 374 HG23 THR 52 HG23 THR 52 -20.639 -20.233 4.059 375 H VAL 53 HN VAL 53 -17.154 -21.023 2.599 376 HA VAL 53 HA VAL 53 -16.174 -22.845 0.525 377 HB VAL 53 HB VAL 53 -14.557 -20.373 1.202 378 HG11 VAL 53 HG11 VAL 53 -14.243 -22.492 -0.924 379 HG12 VAL 53 HG12 VAL 53 -13.211 -22.223 0.481 380 HG13 VAL 53 HG13 VAL 53 -13.264 -21.027 -0.815 381 HG21 VAL 53 HG21 VAL 53 -16.540 -19.602 0.009 382 HG22 VAL 53 HG22 VAL 53 -16.254 -20.786 -1.268 383 HG23 VAL 53 HG23 VAL 53 -15.110 -19.468 -1.015 384 H GLY 54 HN GLY 54 -14.327 -24.024 1.176 385 HA2 GLY 54 HA2 GLY 54 -12.548 -24.654 2.550 386 HA3 GLY 54 HA1 GLY 54 -13.073 -23.479 3.745 387 H GLU 55 HN GLU 55 -12.455 -25.472 5.050 388 HA GLU 55 HA GLU 55 -14.799 -27.167 5.474 389 HB2 GLU 55 HB2 GLU 55 -13.218 -28.529 6.884 390 HB3 GLU 55 HB1 GLU 55 -12.853 -28.526 5.171 391 HG2 GLU 55 HG2 GLU 55 -11.467 -26.608 7.008 392 HG3 GLU 55 HG1 GLU 55 -10.943 -28.287 6.928 393 HA PRO 56 HA PRO 56 -15.878 -24.704 8.923 394 HB2 PRO 56 HB2 PRO 56 -17.010 -26.532 10.616 395 HB3 PRO 56 HB1 PRO 56 -17.806 -25.907 9.168 396 HG2 PRO 56 HG2 PRO 56 -16.314 -28.486 9.542 397 HG3 PRO 56 HG1 PRO 56 -17.851 -28.192 8.704 398 HD2 PRO 56 HD2 PRO 56 -15.547 -28.462 7.354 399 HD3 PRO 56 HD1 PRO 56 -16.792 -27.343 6.813 400 H ALA 57 HN ALA 57 -14.563 -23.810 10.315 401 HA ALA 57 HA ALA 57 -13.222 -25.332 12.405 402 HB1 ALA 57 HB1 ALA 57 -11.597 -25.401 10.572 403 HB2 ALA 57 HB2 ALA 57 -11.009 -24.384 11.890 404 HB3 ALA 57 HB3 ALA 57 -11.668 -23.644 10.430 405 H THR 58 HN THR 58 -12.322 -23.875 14.073 406 HA THR 58 HA THR 58 -14.171 -21.924 14.794 407 HB THR 58 HB THR 58 -12.743 -23.080 16.437 408 HG1 THR 58 HG1 THR 58 -13.370 -21.370 17.514 409 HG21 THR 58 HG21 THR 58 -10.521 -21.332 15.364 410 HG22 THR 58 HG22 THR 58 -10.638 -23.085 15.191 411 HG23 THR 58 HG23 THR 58 -10.422 -22.366 16.788 412 H LYS 59 HN LYS 59 -13.814 -19.634 15.183 413 HA LYS 59 HA LYS 59 -13.625 -18.224 12.872 414 HB2 LYS 59 HB2 LYS 59 -14.505 -17.436 15.101 415 HB3 LYS 59 HB1 LYS 59 -12.847 -17.099 15.572 416 HG2 LYS 59 HG2 LYS 59 -12.699 -15.521 13.623 417 HG3 LYS 59 HG1 LYS 59 -14.429 -15.773 13.371 418 HD2 LYS 59 HD2 LYS 59 -14.829 -15.003 15.704 419 HD3 LYS 59 HD1 LYS 59 -13.109 -14.643 15.846 420 HE2 LYS 59 HE2 LYS 59 -14.146 -12.587 15.342 421 HE3 LYS 59 HE1 LYS 59 -13.409 -13.117 13.833 422 HZ1 LYS 59 HZ1 LYS 59 -15.647 -12.270 13.490 423 HZ2 LYS 59 HZ2 LYS 59 -16.275 -13.418 14.556 424 HZ3 LYS 59 HZ3 LYS 59 -15.573 -13.913 13.100 425 H GLN 60 HN GLN 60 -10.996 -18.582 15.251 426 HA GLN 60 HA GLN 60 -9.103 -16.975 13.986 427 HB2 GLN 60 HB2 GLN 60 -8.805 -17.753 16.281 428 HB3 GLN 60 HB1 GLN 60 -8.650 -19.415 15.721 429 HG2 GLN 60 HG2 GLN 60 -6.603 -18.796 14.504 430 HG3 GLN 60 HG1 GLN 60 -6.756 -17.148 15.108 431 HE21 GLN 60 HE21 GLN 60 -5.977 -20.435 15.905 432 HE22 GLN 60 HE22 GLN 60 -5.268 -20.106 17.447 433 H GLN 61 HN GLN 61 -9.636 -20.486 13.660 434 HA GLN 61 HA GLN 61 -7.404 -20.841 11.917 435 HB2 GLN 61 HB2 GLN 61 -9.782 -22.662 12.360 436 HB3 GLN 61 HB1 GLN 61 -8.263 -23.114 11.595 437 HG2 GLN 61 HG2 GLN 61 -8.681 -22.323 14.472 438 HG3 GLN 61 HG1 GLN 61 -8.285 -23.925 13.855 439 HE21 GLN 61 HE21 GLN 61 -6.173 -24.352 13.181 440 HE22 GLN 61 HE22 GLN 61 -4.851 -23.318 13.582 441 H CYS 62 HN CYS 62 -10.819 -20.243 11.483 442 HA CYS 62 HA CYS 62 -11.008 -20.834 8.742 443 HB2 CYS 62 HB2 CYS 62 -12.926 -20.464 10.352 444 HB3 CYS 62 HB1 CYS 62 -12.610 -18.737 10.223 445 HG CYS 62 HG CYS 62 -14.605 -18.794 8.511 446 H LEU 63 HN LEU 63 -10.499 -17.691 10.408 447 HA LEU 63 HA LEU 63 -9.982 -16.297 7.976 448 HB2 LEU 63 HB2 LEU 63 -9.201 -14.446 9.376 449 HB3 LEU 63 HB1 LEU 63 -10.742 -15.073 9.917 450 HG LEU 63 HG LEU 63 -9.282 -16.421 11.637 451 HD11 LEU 63 HD11 LEU 63 -7.441 -14.123 10.961 452 HD12 LEU 63 HD12 LEU 63 -7.100 -15.839 10.747 453 HD13 LEU 63 HD13 LEU 63 -7.286 -15.176 12.368 454 HD21 LEU 63 HD21 LEU 63 -9.750 -13.452 11.929 455 HD22 LEU 63 HD22 LEU 63 -9.526 -14.607 13.244 456 HD23 LEU 63 HD23 LEU 63 -10.948 -14.717 12.205 457 H GLN 64 HN GLN 64 -7.974 -18.061 10.238 458 HA GLN 64 HA GLN 64 -5.448 -17.207 9.352 459 HB2 GLN 64 HB2 GLN 64 -5.771 -18.476 11.434 460 HB3 GLN 64 HB1 GLN 64 -6.237 -19.895 10.508 461 HG2 GLN 64 HG2 GLN 64 -3.988 -19.955 9.503 462 HG3 GLN 64 HG1 GLN 64 -3.529 -18.564 10.484 463 HE21 GLN 64 HE21 GLN 64 -5.048 -19.495 12.809 464 HE22 GLN 64 HE22 GLN 64 -4.143 -20.800 13.480 465 H ARG 65 HN ARG 65 -7.692 -19.599 8.094 466 HA ARG 65 HA ARG 65 -6.001 -20.947 6.370 467 HB2 ARG 65 HB2 ARG 65 -8.199 -21.656 7.080 468 HB3 ARG 65 HB1 ARG 65 -8.932 -20.272 6.288 469 HG2 ARG 65 HG2 ARG 65 -8.334 -21.142 4.130 470 HG3 ARG 65 HG1 ARG 65 -7.491 -22.502 4.894 471 HD2 ARG 65 HD2 ARG 65 -10.426 -21.853 5.013 472 HD3 ARG 65 HD1 ARG 65 -9.642 -23.225 4.274 473 HE ARG 65 HE ARG 65 -8.876 -23.508 6.811 474 HH11 ARG 65 HH11 ARG 65 -12.012 -22.934 5.393 475 HH12 ARG 65 HH12 ARG 65 -12.870 -23.796 6.628 476 HH21 ARG 65 HH21 ARG 65 -9.998 -24.634 8.450 477 HH22 ARG 65 HH22 ARG 65 -11.727 -24.774 8.353 478 H ILE 66 HN ILE 66 -8.115 -18.141 5.752 479 HA ILE 66 HA ILE 66 -7.370 -18.025 2.990 480 HB ILE 66 HB ILE 66 -8.603 -15.815 3.018 481 HG12 ILE 66 HG12 ILE 66 -9.327 -16.693 5.832 482 HG13 ILE 66 HG11 ILE 66 -8.269 -15.341 5.449 483 HG21 ILE 66 HG21 ILE 66 -10.795 -16.896 3.183 484 HG22 ILE 66 HG22 ILE 66 -10.052 -18.279 3.988 485 HG23 ILE 66 HG23 ILE 66 -9.635 -17.900 2.317 486 HD11 ILE 66 HD11 ILE 66 -11.183 -15.569 4.733 487 HD12 ILE 66 HD12 ILE 66 -10.129 -14.210 4.338 488 HD13 ILE 66 HD13 ILE 66 -10.497 -14.581 6.023 489 H GLU 67 HN GLU 67 -6.324 -16.326 5.914 490 HA GLU 67 HA GLU 67 -4.938 -14.241 4.668 491 HB2 GLU 67 HB2 GLU 67 -3.609 -14.025 6.701 492 HB3 GLU 67 HB1 GLU 67 -5.294 -14.308 7.114 493 HG2 GLU 67 HG2 GLU 67 -4.889 -16.426 7.914 494 HG3 GLU 67 HG1 GLU 67 -3.419 -16.624 6.974 495 H GLN 68 HN GLN 68 -3.909 -17.548 5.454 496 HA GLN 68 HA GLN 68 -1.192 -17.062 4.689 497 HB2 GLN 68 HB2 GLN 68 -2.606 -19.700 5.111 498 HB3 GLN 68 HB1 GLN 68 -0.865 -19.457 5.045 499 HG2 GLN 68 HG2 GLN 68 -0.952 -18.121 7.073 500 HG3 GLN 68 HG1 GLN 68 -2.706 -18.286 7.123 501 HE21 GLN 68 HE21 GLN 68 -0.827 -19.051 9.142 502 HE22 GLN 68 HE22 GLN 68 -1.011 -20.752 9.381 503 H LEU 69 HN LEU 69 -3.833 -17.206 2.763 504 HA LEU 69 HA LEU 69 -2.517 -18.848 0.682 505 HB2 LEU 69 HB2 LEU 69 -5.373 -17.882 0.884 506 HB3 LEU 69 HB1 LEU 69 -4.732 -18.823 -0.447 507 HG LEU 69 HG LEU 69 -4.918 -19.774 2.414 508 HD11 LEU 69 HD11 LEU 69 -6.614 -20.523 0.031 509 HD12 LEU 69 HD12 LEU 69 -7.126 -19.484 1.362 510 HD13 LEU 69 HD13 LEU 69 -6.742 -21.180 1.664 511 HD21 LEU 69 HD21 LEU 69 -4.393 -21.981 1.465 512 HD22 LEU 69 HD22 LEU 69 -3.078 -20.832 1.232 513 HD23 LEU 69 HD23 LEU 69 -4.144 -21.235 -0.115 514 H TRP 70 HN TRP 70 -4.662 -16.003 0.689 515 HA TRP 70 HA TRP 70 -3.419 -15.035 -1.755 516 HB2 TRP 70 HB2 TRP 70 -5.835 -14.099 -0.192 517 HB3 TRP 70 HB1 TRP 70 -5.261 -13.316 -1.660 518 HD1 TRP 70 HD1 TRP 70 -5.103 -17.103 -1.611 519 HE1 TRP 70 HE1 TRP 70 -6.897 -18.057 -3.189 520 HE3 TRP 70 HE3 TRP 70 -7.684 -12.802 -2.589 521 HZ2 TRP 70 HZ2 TRP 70 -9.125 -17.109 -4.649 522 HZ3 TRP 70 HZ3 TRP 70 -9.636 -12.910 -4.086 523 HH2 TRP 70 HH2 TRP 70 -10.341 -15.020 -5.096 524 H THR 71 HN THR 71 -4.112 -13.776 1.467 525 HA THR 71 HA THR 71 -2.731 -11.299 0.962 526 HB THR 71 HB THR 71 -3.387 -10.970 3.476 527 HG1 THR 71 HG1 THR 71 -5.322 -12.371 3.855 528 HG21 THR 71 HG21 THR 71 -4.515 -9.843 1.605 529 HG22 THR 71 HG22 THR 71 -5.675 -10.351 2.832 530 HG23 THR 71 HG23 THR 71 -5.509 -11.276 1.338 531 H ASP 72 HN ASP 72 -1.786 -14.323 1.945 532 HA ASP 72 HA ASP 72 -0.337 -14.261 4.194 533 HB2 ASP 72 HB2 ASP 72 -0.586 -16.242 2.803 534 HB3 ASP 72 HB1 ASP 72 0.514 -15.563 1.616 535 H MET 73 HN MET 73 0.622 -12.739 1.184 536 HA MET 73 HA MET 73 3.325 -12.196 1.895 537 HB2 MET 73 HB2 MET 73 1.561 -10.611 0.002 538 HB3 MET 73 HB1 MET 73 3.319 -10.610 0.051 539 HG2 MET 73 HG2 MET 73 1.557 -12.936 -0.704 540 HG3 MET 73 HG1 MET 73 2.495 -11.933 -1.809 541 HE1 MET 73 HE1 MET 73 2.617 -15.137 -1.722 542 HE2 MET 73 HE2 MET 73 4.352 -15.393 -1.901 543 HE3 MET 73 HE3 MET 73 3.542 -14.153 -2.859 544 H VAL 74 HN VAL 74 2.858 -11.629 4.122 545 HA VAL 74 HA VAL 74 1.437 -9.186 4.700 546 HB VAL 74 HB VAL 74 1.122 -11.023 6.219 547 HG11 VAL 74 HG11 VAL 74 3.193 -12.240 5.809 548 HG12 VAL 74 HG12 VAL 74 2.931 -12.012 7.538 549 HG13 VAL 74 HG13 VAL 74 4.105 -11.008 6.685 550 HG21 VAL 74 HG21 VAL 74 1.704 -10.016 8.375 551 HG22 VAL 74 HG22 VAL 74 1.117 -8.795 7.244 552 HG23 VAL 74 HG23 VAL 74 2.845 -8.936 7.569 553 HA PRO 75 HA PRO 75 5.078 -6.578 4.638 554 HB2 PRO 75 HB2 PRO 75 3.553 -4.678 6.279 555 HB3 PRO 75 HB1 PRO 75 4.118 -4.509 4.613 556 HG2 PRO 75 HG2 PRO 75 1.500 -4.799 5.242 557 HG3 PRO 75 HG1 PRO 75 2.191 -5.419 3.731 558 HD2 PRO 75 HD2 PRO 75 1.523 -6.895 6.259 559 HD3 PRO 75 HD1 PRO 75 1.269 -7.377 4.566 560 H ALA 76 HN ALA 76 5.616 -4.723 6.713 561 HA ALA 76 HA ALA 76 7.202 -6.258 8.432 562 HB1 ALA 76 HB1 ALA 76 7.622 -3.894 7.922 563 HB2 ALA 76 HB2 ALA 76 7.585 -4.190 9.660 564 HB3 ALA 76 HB3 ALA 76 6.199 -3.445 8.863 565 H SER 77 HN SER 77 3.879 -5.569 8.571 566 HA SER 77 HA SER 77 3.210 -5.473 11.219 567 HB2 SER 77 HB2 SER 77 1.745 -7.085 9.119 568 HB3 SER 77 HB1 SER 77 1.066 -6.331 10.557 569 HG SER 77 HG SER 77 0.788 -4.628 9.401 570 H VAL 78 HN VAL 78 4.249 -8.277 9.357 571 HA VAL 78 HA VAL 78 3.531 -10.288 11.199 572 HB VAL 78 HB VAL 78 4.177 -10.760 8.853 573 HG11 VAL 78 HG11 VAL 78 6.044 -9.206 8.632 574 HG12 VAL 78 HG12 VAL 78 6.530 -10.842 8.194 575 HG13 VAL 78 HG13 VAL 78 7.000 -10.173 9.756 576 HG21 VAL 78 HG21 VAL 78 5.838 -12.214 10.920 577 HG22 VAL 78 HG22 VAL 78 5.482 -12.808 9.298 578 HG23 VAL 78 HG23 VAL 78 4.176 -12.583 10.461 579 H ARG 79 HN ARG 79 6.330 -8.194 10.940 580 HA ARG 79 HA ARG 79 7.887 -9.488 12.969 581 HB2 ARG 79 HB2 ARG 79 8.081 -6.685 11.834 582 HB3 ARG 79 HB1 ARG 79 9.293 -7.453 12.849 583 HG2 ARG 79 HG2 ARG 79 8.455 -8.400 10.111 584 HG3 ARG 79 HG1 ARG 79 9.902 -7.461 10.475 585 HD2 ARG 79 HD2 ARG 79 9.260 -10.276 11.341 586 HD3 ARG 79 HD1 ARG 79 10.563 -9.744 10.281 587 HE ARG 79 HE ARG 79 10.671 -9.952 13.079 588 HH11 ARG 79 HH11 ARG 79 11.634 -7.681 10.572 589 HH12 ARG 79 HH12 ARG 79 13.017 -7.123 11.457 590 HH21 ARG 79 HH21 ARG 79 12.476 -9.192 14.223 591 HH22 ARG 79 HH22 ARG 79 13.488 -7.963 13.526 592 H GLU 80 HN GLU 80 5.749 -6.697 12.804 593 HA GLU 80 HA GLU 80 6.154 -5.680 15.376 594 HB2 GLU 80 HB2 GLU 80 3.616 -5.567 13.727 595 HB3 GLU 80 HB1 GLU 80 4.038 -4.495 15.056 596 HG2 GLU 80 HG2 GLU 80 5.503 -4.713 12.428 597 HG3 GLU 80 HG1 GLU 80 4.390 -3.428 12.895 598 H HIS 81 HN HIS 81 4.199 -8.340 14.254 599 HA HIS 81 HA HIS 81 2.558 -8.686 16.518 600 HB2 HIS 81 HB2 HIS 81 2.060 -9.862 14.454 601 HB3 HIS 81 HB1 HIS 81 3.607 -10.705 14.517 602 HD1 HIS 81 HD1 HIS 81 0.652 -10.394 16.941 603 HD2 HIS 81 HD2 HIS 81 3.233 -13.249 15.353 604 HE1 HIS 81 HE1 HIS 81 -0.059 -12.583 17.942 605 HE2 HIS 81 HE2 HIS 81 1.606 -14.265 17.093 606 H LEU 82 HN LEU 82 5.918 -9.241 16.043 607 HA LEU 82 HA LEU 82 6.083 -11.160 18.243 608 HB2 LEU 82 HB2 LEU 82 7.306 -11.327 15.952 609 HB3 LEU 82 HB1 LEU 82 8.409 -10.147 16.630 610 HG LEU 82 HG LEU 82 8.976 -11.691 18.450 611 HD11 LEU 82 HD11 LEU 82 7.107 -13.611 17.053 612 HD12 LEU 82 HD12 LEU 82 6.842 -12.863 18.629 613 HD13 LEU 82 HD13 LEU 82 8.167 -14.004 18.407 614 HD21 LEU 82 HD21 LEU 82 10.165 -13.373 17.105 615 HD22 LEU 82 HD22 LEU 82 10.319 -11.756 16.424 616 HD23 LEU 82 HD23 LEU 82 9.208 -12.915 15.696 617 H ASN 83 HN ASN 83 5.753 -8.000 18.132 618 HA ASN 83 HA ASN 83 7.758 -7.373 20.190 619 HB2 ASN 83 HB2 ASN 83 7.537 -5.800 18.261 620 HB3 ASN 83 HB1 ASN 83 5.861 -5.512 18.711 621 HD21 ASN 83 HD21 ASN 83 6.344 -3.288 18.914 622 HD22 ASN 83 HD22 ASN 83 7.188 -2.671 20.290 623 H GLN 84 HN GLN 84 6.783 -8.572 21.854 624 HA GLN 84 HA GLN 84 3.996 -8.532 22.385 625 HB2 GLN 84 HB2 GLN 84 6.363 -9.604 23.907 626 HB3 GLN 84 HB1 GLN 84 4.743 -9.670 24.580 627 HG2 GLN 84 HG2 GLN 84 5.418 -11.772 23.511 628 HG3 GLN 84 HG1 GLN 84 3.989 -11.063 22.764 629 HE21 GLN 84 HE21 GLN 84 7.401 -11.704 22.389 630 HE22 GLN 84 HE22 GLN 84 7.454 -11.472 20.678 631 H HIS 85 HN HIS 85 3.751 -6.163 22.487 632 HA HIS 85 HA HIS 85 2.850 -5.555 25.022 633 HB2 HIS 85 HB2 HIS 85 4.256 -3.847 25.897 634 HB3 HIS 85 HB1 HIS 85 5.325 -5.183 25.504 635 HD1 HIS 85 HD1 HIS 85 5.028 -1.640 25.151 636 HD2 HIS 85 HD2 HIS 85 6.664 -4.695 22.857 637 HE1 HIS 85 HE1 HIS 85 6.637 -0.516 23.587 638 HE2 HIS 85 HE2 HIS 85 7.763 -2.402 22.363 639 H SER 86 HN SER 86 1.354 -3.964 24.899 640 HA SER 86 HA SER 86 0.585 -3.124 22.300 641 HB2 SER 86 HB2 SER 86 -1.050 -3.596 24.096 642 HB3 SER 86 HB1 SER 86 -0.465 -2.195 24.991 643 HG SER 86 HG SER 86 -1.615 -0.949 23.754 644 H GLY 87 HN GLY 87 2.347 -1.938 21.514 645 HA2 GLY 87 HA2 GLY 87 3.006 0.602 22.798 646 HA3 GLY 87 HA1 GLY 87 3.810 -0.104 21.402 647 HA PRO 88 HA PRO 88 0.262 3.178 20.471 648 HB2 PRO 88 HB2 PRO 88 2.668 4.914 20.066 649 HB3 PRO 88 HB1 PRO 88 1.061 5.339 20.671 650 HG2 PRO 88 HG2 PRO 88 3.100 5.104 22.357 651 HG3 PRO 88 HG1 PRO 88 1.495 4.484 22.797 652 HD2 PRO 88 HD2 PRO 88 3.924 2.984 21.888 653 HD3 PRO 88 HD1 PRO 88 2.715 2.541 23.112 654 H GLY 89 HN GLY 89 -0.264 2.237 18.598 655 HA2 GLY 89 HA2 GLY 89 0.385 2.989 16.123 656 HA3 GLY 89 HA1 GLY 89 1.677 1.840 16.467 657 H ILE 90 HN ILE 90 0.672 -0.165 17.709 658 HA ILE 90 HA ILE 90 -0.401 -2.148 17.442 659 HB ILE 90 HB ILE 90 -2.824 -0.356 17.131 660 HG12 ILE 90 HG12 ILE 90 -1.522 -1.460 19.643 661 HG13 ILE 90 HG11 ILE 90 -1.466 0.216 19.118 662 HG21 ILE 90 HG21 ILE 90 -3.272 -2.708 16.577 663 HG22 ILE 90 HG22 ILE 90 -4.083 -2.232 18.068 664 HG23 ILE 90 HG23 ILE 90 -2.613 -3.206 18.134 665 HD11 ILE 90 HD11 ILE 90 -3.939 -1.297 19.916 666 HD12 ILE 90 HD12 ILE 90 -3.884 0.383 19.385 667 HD13 ILE 90 HD13 ILE 90 -3.090 -0.093 20.886 668 H ASP 91 HN ASP 91 0.608 -2.699 15.454 669 HA ASP 91 HA ASP 91 -1.294 -2.862 13.208 670 HB2 ASP 91 HB2 ASP 91 0.583 -1.113 12.883 671 HB3 ASP 91 HB1 ASP 91 1.687 -2.479 12.795 672 H TYR 92 HN TYR 92 -1.535 -4.942 12.524 673 HA TYR 92 HA TYR 92 0.473 -6.923 13.329 674 HB2 TYR 92 HB2 TYR 92 -2.448 -6.962 14.105 675 HB3 TYR 92 HB1 TYR 92 -1.436 -8.401 14.151 676 HD1 TYR 92 HD1 TYR 92 0.671 -8.333 15.598 677 HD2 TYR 92 HD2 TYR 92 -2.449 -5.452 15.936 678 HE1 TYR 92 HE1 TYR 92 1.484 -7.721 17.833 679 HE2 TYR 92 HE2 TYR 92 -1.640 -4.836 18.175 680 HH TYR 92 HH TYR 92 1.386 -5.770 19.355 681 H ALA 93 HN ALA 93 -0.852 -9.222 12.649 682 HA ALA 93 HA ALA 93 -0.140 -9.416 9.965 683 HB1 ALA 93 HB1 ALA 93 -0.104 -11.288 11.544 684 HB2 ALA 93 HB2 ALA 93 -0.996 -11.691 10.076 685 HB3 ALA 93 HB3 ALA 93 -1.868 -11.306 11.560 686 H VAL 94 HN VAL 94 -1.619 -10.506 8.309 687 HA VAL 94 HA VAL 94 -3.941 -8.730 7.941 688 HB VAL 94 HB VAL 94 -2.094 -8.420 6.314 689 HG11 VAL 94 HG11 VAL 94 -2.658 -11.285 5.513 690 HG12 VAL 94 HG12 VAL 94 -1.191 -10.689 6.288 691 HG13 VAL 94 HG13 VAL 94 -1.595 -10.172 4.652 692 HG21 VAL 94 HG21 VAL 94 -3.447 -8.553 4.266 693 HG22 VAL 94 HG22 VAL 94 -4.385 -7.926 5.621 694 HG23 VAL 94 HG23 VAL 94 -4.603 -9.596 5.098 695 H ARG 95 HN ARG 95 -5.849 -9.597 7.019 696 HA ARG 95 HA ARG 95 -6.015 -12.515 6.783 697 HB2 ARG 95 HB2 ARG 95 -8.309 -12.396 7.850 698 HB3 ARG 95 HB1 ARG 95 -6.954 -12.155 8.943 699 HG2 ARG 95 HG2 ARG 95 -7.357 -9.818 9.079 700 HG3 ARG 95 HG1 ARG 95 -8.487 -9.866 7.726 701 HD2 ARG 95 HD2 ARG 95 -10.013 -11.260 9.095 702 HD3 ARG 95 HD1 ARG 95 -8.898 -11.098 10.455 703 HE ARG 95 HE ARG 95 -9.686 -8.977 10.813 704 HH11 ARG 95 HH11 ARG 95 -10.682 -9.996 7.595 705 HH12 ARG 95 HH12 ARG 95 -11.736 -8.635 7.364 706 HH21 ARG 95 HH21 ARG 95 -11.081 -7.190 10.484 707 HH22 ARG 95 HH22 ARG 95 -11.944 -7.044 8.985 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 10.693 0.162 4.042 2 H2 MET 1 HT2 MET 1 12.341 0.517 3.965 3 H3 MET 1 HT3 MET 1 11.803 -0.804 4.873 4 HA MET 1 HA MET 1 11.576 -0.519 1.939 5 HB2 MET 1 HB2 MET 1 13.400 -2.274 3.610 6 HB3 MET 1 HB1 MET 1 13.248 -2.351 1.860 7 HG2 MET 1 HG2 MET 1 14.102 -0.068 1.684 8 HG3 MET 1 HG1 MET 1 14.248 0.017 3.439 9 HE1 MET 1 HE1 MET 1 16.651 0.722 1.541 10 HE2 MET 1 HE2 MET 1 17.986 -0.145 2.301 11 HE3 MET 1 HE3 MET 1 16.807 0.706 3.297 12 H ALA 2 HN ALA 2 9.538 -1.270 1.614 13 HA ALA 2 HA ALA 2 8.482 -3.496 3.127 14 HB1 ALA 2 HB1 ALA 2 6.469 -3.208 1.780 15 HB2 ALA 2 HB2 ALA 2 7.315 -2.068 0.733 16 HB3 ALA 2 HB3 ALA 2 7.014 -1.658 2.423 17 H HIS 3 HN HIS 3 10.490 -4.724 2.341 18 HA HIS 3 HA HIS 3 10.296 -5.827 -0.331 19 HB2 HIS 3 HB2 HIS 3 12.492 -5.342 0.839 20 HB3 HIS 3 HB1 HIS 3 12.147 -6.696 1.908 21 HD1 HIS 3 HD1 HIS 3 12.830 -8.971 1.097 22 HD2 HIS 3 HD2 HIS 3 12.806 -6.135 -1.939 23 HE1 HIS 3 HE1 HIS 3 13.814 -10.118 -0.908 24 HE2 HIS 3 HE2 HIS 3 13.539 -8.461 -2.781 25 H HIS 4 HN HIS 4 8.650 -7.200 -0.632 26 HA HIS 4 HA HIS 4 8.067 -9.191 1.464 27 HB2 HIS 4 HB2 HIS 4 5.705 -9.109 0.781 28 HB3 HIS 4 HB1 HIS 4 6.272 -7.534 1.318 29 HD1 HIS 4 HD1 HIS 4 4.773 -9.276 -1.570 30 HD2 HIS 4 HD2 HIS 4 6.617 -5.627 -0.824 31 HE1 HIS 4 HE1 HIS 4 4.210 -7.823 -3.537 32 HE2 HIS 4 HE2 HIS 4 5.489 -5.688 -3.148 33 H HIS 5 HN HIS 5 8.980 -11.021 0.750 34 HA HIS 5 HA HIS 5 8.357 -11.905 -1.997 35 HB2 HIS 5 HB2 HIS 5 10.772 -11.895 -1.344 36 HB3 HIS 5 HB1 HIS 5 10.401 -13.050 -0.066 37 HD1 HIS 5 HD1 HIS 5 11.172 -15.296 -0.768 38 HD2 HIS 5 HD2 HIS 5 9.586 -13.146 -3.955 39 HE1 HIS 5 HE1 HIS 5 11.266 -16.844 -2.743 40 HE2 HIS 5 HE2 HIS 5 10.132 -15.586 -4.605 41 H HIS 6 HN HIS 6 7.066 -12.004 0.925 42 HA HIS 6 HA HIS 6 6.301 -14.826 0.974 43 HB2 HIS 6 HB2 HIS 6 6.967 -13.727 3.092 44 HB3 HIS 6 HB1 HIS 6 5.664 -12.562 2.894 45 HD1 HIS 6 HD1 HIS 6 6.181 -16.270 3.479 46 HD2 HIS 6 HD2 HIS 6 3.260 -13.350 3.914 47 HE1 HIS 6 HE1 HIS 6 4.327 -17.361 4.781 48 HE2 HIS 6 HE2 HIS 6 2.471 -15.652 4.779 49 H HIS 7 HN HIS 7 4.687 -15.308 -0.409 50 HA HIS 7 HA HIS 7 2.205 -13.802 -0.315 51 HB2 HIS 7 HB2 HIS 7 3.475 -12.619 -2.058 52 HB3 HIS 7 HB1 HIS 7 3.744 -14.136 -2.907 53 HD1 HIS 7 HD1 HIS 7 1.677 -15.178 -4.155 54 HD2 HIS 7 HD2 HIS 7 1.001 -11.433 -2.481 55 HE1 HIS 7 HE1 HIS 7 -0.454 -14.349 -5.194 56 HE2 HIS 7 HE2 HIS 7 -0.719 -12.000 -4.321 57 H HIS 8 HN HIS 8 1.342 -15.701 0.540 58 HA HIS 8 HA HIS 8 1.132 -18.029 -1.246 59 HB2 HIS 8 HB2 HIS 8 1.689 -18.508 1.087 60 HB3 HIS 8 HB1 HIS 8 0.294 -17.594 1.643 61 HD1 HIS 8 HD1 HIS 8 -1.903 -18.808 1.796 62 HD2 HIS 8 HD2 HIS 8 1.038 -21.028 -0.133 63 HE1 HIS 8 HE1 HIS 8 -2.864 -21.117 1.530 64 HE2 HIS 8 HE2 HIS 8 -1.007 -22.479 0.509 65 H MET 9 HN MET 9 -1.089 -18.950 -1.559 66 HA MET 9 HA MET 9 -3.274 -17.034 -1.204 67 HB2 MET 9 HB2 MET 9 -2.431 -16.698 -3.503 68 HB3 MET 9 HB1 MET 9 -2.674 -18.407 -3.842 69 HG2 MET 9 HG2 MET 9 -4.469 -17.036 -4.766 70 HG3 MET 9 HG1 MET 9 -5.072 -18.152 -3.542 71 HE1 MET 9 HE1 MET 9 -4.374 -13.665 -2.678 72 HE2 MET 9 HE2 MET 9 -3.997 -14.405 -4.234 73 HE3 MET 9 HE3 MET 9 -3.070 -14.843 -2.797 74 H GLY 10 HN GLY 10 -3.092 -20.096 -3.025 75 HA2 GLY 10 HA2 GLY 10 -4.024 -22.162 -2.589 76 HA3 GLY 10 HA1 GLY 10 -4.288 -21.645 -0.932 77 H THR 11 HN THR 11 -6.253 -23.064 -1.607 78 HA THR 11 HA THR 11 -8.457 -21.218 -2.109 79 HB THR 11 HB THR 11 -8.250 -23.854 -3.603 80 HG1 THR 11 HG1 THR 11 -8.278 -22.066 -5.396 81 HG21 THR 11 HG21 THR 11 -10.553 -23.183 -3.103 82 HG22 THR 11 HG22 THR 11 -10.219 -23.030 -4.828 83 HG23 THR 11 HG23 THR 11 -10.254 -21.593 -3.808 84 H LEU 12 HN LEU 12 -8.176 -24.766 -1.939 85 HA LEU 12 HA LEU 12 -10.033 -24.767 0.337 86 HB2 LEU 12 HB2 LEU 12 -9.202 -26.978 -1.548 87 HB3 LEU 12 HB1 LEU 12 -10.301 -27.188 -0.197 88 HG LEU 12 HG LEU 12 -10.794 -25.438 -2.619 89 HD11 LEU 12 HD11 LEU 12 -12.092 -28.036 -1.796 90 HD12 LEU 12 HD12 LEU 12 -10.910 -27.845 -3.092 91 HD13 LEU 12 HD13 LEU 12 -12.486 -27.066 -3.216 92 HD21 LEU 12 HD21 LEU 12 -11.821 -24.489 -0.625 93 HD22 LEU 12 HD22 LEU 12 -12.572 -26.040 -0.249 94 HD23 LEU 12 HD23 LEU 12 -13.052 -25.153 -1.697 95 H GLU 13 HN GLU 13 -9.407 -27.286 1.385 96 HA GLU 13 HA GLU 13 -6.630 -27.153 2.256 97 HB2 GLU 13 HB2 GLU 13 -7.595 -27.181 4.715 98 HB3 GLU 13 HB1 GLU 13 -7.332 -25.660 3.879 99 HG2 GLU 13 HG2 GLU 13 -9.494 -25.808 5.115 100 HG3 GLU 13 HG1 GLU 13 -9.657 -25.418 3.405 101 H ALA 14 HN ALA 14 -6.392 -28.838 4.165 102 HA ALA 14 HA ALA 14 -8.090 -31.192 3.621 103 HB1 ALA 14 HB1 ALA 14 -6.212 -32.597 4.296 104 HB2 ALA 14 HB2 ALA 14 -5.226 -31.167 4.602 105 HB3 ALA 14 HB3 ALA 14 -5.740 -31.549 2.959 106 H GLN 15 HN GLN 15 -5.947 -29.905 6.134 107 HA GLN 15 HA GLN 15 -8.148 -29.641 7.998 108 HB2 GLN 15 HB2 GLN 15 -5.769 -31.426 8.578 109 HB3 GLN 15 HB1 GLN 15 -6.829 -30.793 9.828 110 HG2 GLN 15 HG2 GLN 15 -8.727 -31.951 8.726 111 HG3 GLN 15 HG1 GLN 15 -7.580 -32.669 7.598 112 HE21 GLN 15 HE21 GLN 15 -6.081 -34.189 8.369 113 HE22 GLN 15 HE22 GLN 15 -6.339 -35.034 9.853 114 H THR 16 HN THR 16 -7.901 -27.572 8.632 115 HA THR 16 HA THR 16 -5.266 -26.364 8.648 116 HB THR 16 HB THR 16 -6.563 -24.319 9.516 117 HG1 THR 16 HG1 THR 16 -8.475 -25.929 9.921 118 HG21 THR 16 HG21 THR 16 -7.254 -25.476 6.812 119 HG22 THR 16 HG22 THR 16 -5.820 -24.526 7.200 120 HG23 THR 16 HG23 THR 16 -7.418 -23.783 7.273 121 H GLN 17 HN GLN 17 -4.252 -27.606 10.230 122 HA GLN 17 HA GLN 17 -5.225 -28.022 12.838 123 HB2 GLN 17 HB2 GLN 17 -3.445 -29.384 11.791 124 HB3 GLN 17 HB1 GLN 17 -2.353 -28.008 11.876 125 HG2 GLN 17 HG2 GLN 17 -1.906 -29.581 13.676 126 HG3 GLN 17 HG1 GLN 17 -2.477 -28.042 14.315 127 HE21 GLN 17 HE21 GLN 17 -3.176 -28.941 16.244 128 HE22 GLN 17 HE22 GLN 17 -4.566 -29.965 16.346 129 H GLY 18 HN GLY 18 -5.231 -26.802 14.587 130 HA2 GLY 18 HA2 GLY 18 -3.281 -24.789 15.152 131 HA3 GLY 18 HA1 GLY 18 -4.830 -24.092 14.680 132 HA PRO 19 HA PRO 19 -5.008 -24.964 19.280 133 HB2 PRO 19 HB2 PRO 19 -6.322 -22.305 19.238 134 HB3 PRO 19 HB1 PRO 19 -5.049 -22.913 20.303 135 HG2 PRO 19 HG2 PRO 19 -4.522 -21.103 18.393 136 HG3 PRO 19 HG1 PRO 19 -3.359 -22.379 18.801 137 HD2 PRO 19 HD2 PRO 19 -5.258 -22.218 16.481 138 HD3 PRO 19 HD1 PRO 19 -3.569 -22.772 16.516 139 H GLY 20 HN GLY 20 -6.545 -26.535 19.058 140 HA2 GLY 20 HA2 GLY 20 -8.991 -26.289 17.694 141 HA3 GLY 20 HA1 GLY 20 -8.586 -27.547 18.847 142 H SER 21 HN SER 21 -9.882 -24.302 18.513 143 HA SER 21 HA SER 21 -10.944 -24.331 21.227 144 HB2 SER 21 HB2 SER 21 -11.194 -22.223 19.059 145 HB3 SER 21 HB1 SER 21 -11.599 -22.023 20.766 146 HG SER 21 HG SER 21 -9.039 -22.934 20.270 147 H MET 22 HN MET 22 -12.076 -26.388 20.019 148 HA MET 22 HA MET 22 -14.521 -25.709 18.662 149 HB2 MET 22 HB2 MET 22 -13.480 -28.312 19.792 150 HB3 MET 22 HB1 MET 22 -15.046 -28.169 19.003 151 HG2 MET 22 HG2 MET 22 -13.376 -29.033 17.472 152 HG3 MET 22 HG1 MET 22 -13.957 -27.456 16.943 153 HE1 MET 22 HE1 MET 22 -11.910 -27.251 15.272 154 HE2 MET 22 HE2 MET 22 -11.319 -28.830 15.794 155 HE3 MET 22 HE3 MET 22 -10.226 -27.449 15.756 156 H ASP 23 HN ASP 23 -15.080 -24.158 20.407 157 HA ASP 23 HA ASP 23 -16.622 -25.446 22.562 158 HB2 ASP 23 HB2 ASP 23 -15.028 -24.024 23.591 159 HB3 ASP 23 HB1 ASP 23 -15.286 -22.755 22.403 160 H ASP 24 HN ASP 24 -16.606 -22.787 20.309 161 HA ASP 24 HA ASP 24 -19.463 -22.460 20.571 162 HB2 ASP 24 HB2 ASP 24 -18.997 -20.367 19.408 163 HB3 ASP 24 HB1 ASP 24 -17.993 -20.562 20.829 164 H GLU 25 HN GLU 25 -20.345 -21.621 18.270 165 HA GLU 25 HA GLU 25 -20.640 -24.030 16.820 166 HB2 GLU 25 HB2 GLU 25 -21.554 -21.212 16.186 167 HB3 GLU 25 HB1 GLU 25 -22.047 -22.642 15.289 168 HG2 GLU 25 HG2 GLU 25 -23.780 -22.030 16.823 169 HG3 GLU 25 HG1 GLU 25 -23.066 -23.553 17.343 170 H LEU 26 HN LEU 26 -20.129 -24.473 14.646 171 HA LEU 26 HA LEU 26 -17.512 -23.685 13.876 172 HB2 LEU 26 HB2 LEU 26 -19.648 -25.368 12.586 173 HB3 LEU 26 HB1 LEU 26 -18.194 -24.949 11.702 174 HG LEU 26 HG LEU 26 -16.824 -26.061 13.428 175 HD11 LEU 26 HD11 LEU 26 -18.298 -25.767 15.349 176 HD12 LEU 26 HD12 LEU 26 -17.879 -27.466 15.125 177 HD13 LEU 26 HD13 LEU 26 -19.466 -26.878 14.632 178 HD21 LEU 26 HD21 LEU 26 -18.992 -27.736 12.168 179 HD22 LEU 26 HD22 LEU 26 -17.532 -28.388 12.912 180 HD23 LEU 26 HD23 LEU 26 -17.405 -27.340 11.505 181 H TYR 27 HN TYR 27 -16.855 -22.575 12.037 182 HA TYR 27 HA TYR 27 -18.832 -20.797 10.758 183 HB2 TYR 27 HB2 TYR 27 -15.984 -20.215 11.618 184 HB3 TYR 27 HB1 TYR 27 -16.862 -19.199 10.486 185 HD1 TYR 27 HD1 TYR 27 -17.118 -20.589 13.943 186 HD2 TYR 27 HD2 TYR 27 -18.102 -17.407 11.290 187 HE1 TYR 27 HE1 TYR 27 -18.040 -19.313 15.827 188 HE2 TYR 27 HE2 TYR 27 -19.029 -16.120 13.171 189 HH TYR 27 HH TYR 27 -18.565 -17.085 16.456 190 H PHE 28 HN PHE 28 -18.593 -20.489 8.562 191 HA PHE 28 HA PHE 28 -16.376 -21.899 7.228 192 HB2 PHE 28 HB2 PHE 28 -19.236 -21.770 6.612 193 HB3 PHE 28 HB1 PHE 28 -18.252 -21.259 5.245 194 HD1 PHE 28 HD1 PHE 28 -15.918 -22.940 5.382 195 HD2 PHE 28 HD2 PHE 28 -19.971 -23.911 6.168 196 HE1 PHE 28 HE1 PHE 28 -15.465 -25.286 4.833 197 HE2 PHE 28 HE2 PHE 28 -19.507 -26.279 5.629 198 HZ PHE 28 HZ PHE 28 -17.257 -26.955 4.946 199 H VAL 29 HN VAL 29 -15.419 -20.814 5.425 200 HA VAL 29 HA VAL 29 -15.316 -17.926 5.778 201 HB VAL 29 HB VAL 29 -13.871 -19.706 3.794 202 HG11 VAL 29 HG11 VAL 29 -14.030 -17.425 2.984 203 HG12 VAL 29 HG12 VAL 29 -12.372 -17.773 3.479 204 HG13 VAL 29 HG13 VAL 29 -13.422 -16.814 4.523 205 HG21 VAL 29 HG21 VAL 29 -11.904 -19.438 5.253 206 HG22 VAL 29 HG22 VAL 29 -13.235 -20.241 6.090 207 HG23 VAL 29 HG23 VAL 29 -12.896 -18.538 6.403 208 H VAL 30 HN VAL 30 -16.749 -16.657 4.704 209 HA VAL 30 HA VAL 30 -18.030 -17.779 2.289 210 HB VAL 30 HB VAL 30 -20.163 -16.937 2.965 211 HG11 VAL 30 HG11 VAL 30 -18.873 -18.379 5.285 212 HG12 VAL 30 HG12 VAL 30 -19.569 -19.128 3.847 213 HG13 VAL 30 HG13 VAL 30 -20.608 -18.263 4.980 214 HG21 VAL 30 HG21 VAL 30 -20.549 -15.733 5.048 215 HG22 VAL 30 HG22 VAL 30 -19.383 -14.867 4.052 216 HG23 VAL 30 HG23 VAL 30 -18.830 -15.811 5.437 217 H ARG 31 HN ARG 31 -18.947 -16.239 0.853 218 HA ARG 31 HA ARG 31 -18.467 -13.409 1.267 219 HB2 ARG 31 HB2 ARG 31 -16.953 -13.099 -0.643 220 HB3 ARG 31 HB1 ARG 31 -16.225 -14.134 0.578 221 HG2 ARG 31 HG2 ARG 31 -16.776 -16.104 -0.740 222 HG3 ARG 31 HG1 ARG 31 -17.549 -15.090 -1.958 223 HD2 ARG 31 HD2 ARG 31 -15.378 -13.988 -2.371 224 HD3 ARG 31 HD1 ARG 31 -14.627 -15.065 -1.190 225 HE ARG 31 HE ARG 31 -15.883 -16.723 -2.979 226 HH11 ARG 31 HH11 ARG 31 -13.366 -14.285 -3.175 227 HH12 ARG 31 HH12 ARG 31 -12.630 -14.998 -4.575 228 HH21 ARG 31 HH21 ARG 31 -14.921 -17.654 -4.792 229 HH22 ARG 31 HH22 ARG 31 -13.510 -16.918 -5.494 230 H ASN 32 HN ASN 32 -19.346 -12.089 -0.510 231 HA ASN 32 HA ASN 32 -20.681 -13.508 -2.681 232 HB2 ASN 32 HB2 ASN 32 -22.876 -12.709 -2.241 233 HB3 ASN 32 HB1 ASN 32 -22.309 -13.331 -0.694 234 HD21 ASN 32 HD21 ASN 32 -21.463 -11.734 0.847 235 HD22 ASN 32 HD22 ASN 32 -22.117 -10.135 0.845 236 H ASN 33 HN ASN 33 -20.750 -12.312 -4.507 237 HA ASN 33 HA ASN 33 -20.259 -10.676 -6.003 238 HB2 ASN 33 HB2 ASN 33 -22.472 -10.009 -5.240 239 HB3 ASN 33 HB1 ASN 33 -21.768 -9.077 -3.926 240 HD21 ASN 33 HD21 ASN 33 -20.957 -7.060 -4.330 241 HD22 ASN 33 HD22 ASN 33 -21.139 -6.250 -5.848 242 H GLU 34 HN GLU 34 -18.376 -10.785 -3.400 243 HA GLU 34 HA GLU 34 -17.271 -8.062 -3.677 244 HB2 GLU 34 HB2 GLU 34 -16.503 -8.277 -1.369 245 HB3 GLU 34 HB1 GLU 34 -18.239 -8.533 -1.476 246 HG2 GLU 34 HG2 GLU 34 -17.757 -11.012 -1.484 247 HG3 GLU 34 HG1 GLU 34 -16.091 -10.603 -1.077 248 H GLY 35 HN GLY 35 -16.493 -11.476 -3.626 249 HA2 GLY 35 HA2 GLY 35 -14.603 -12.560 -4.392 250 HA3 GLY 35 HA1 GLY 35 -13.901 -10.999 -4.794 251 H GLN 36 HN GLN 36 -14.456 -10.100 -1.940 252 HA GLN 36 HA GLN 36 -11.978 -10.944 -0.768 253 HB2 GLN 36 HB2 GLN 36 -14.243 -9.307 0.407 254 HB3 GLN 36 HB1 GLN 36 -12.661 -9.523 1.143 255 HG2 GLN 36 HG2 GLN 36 -11.629 -8.410 -0.803 256 HG3 GLN 36 HG1 GLN 36 -13.239 -8.133 -1.469 257 HE21 GLN 36 HE21 GLN 36 -13.078 -5.911 -1.411 258 HE22 GLN 36 HE22 GLN 36 -13.070 -5.002 0.061 259 H TYR 37 HN TYR 37 -12.144 -11.572 1.725 260 HA TYR 37 HA TYR 37 -14.011 -13.848 1.830 261 HB2 TYR 37 HB2 TYR 37 -11.119 -13.643 2.603 262 HB3 TYR 37 HB1 TYR 37 -12.158 -14.833 3.386 263 HD1 TYR 37 HD2 TYR 37 -13.803 -15.979 1.544 264 HD2 TYR 37 HD1 TYR 37 -9.849 -14.555 0.848 265 HE1 TYR 37 HE2 TYR 37 -13.592 -17.512 -0.376 266 HE2 TYR 37 HE1 TYR 37 -9.627 -16.086 -1.067 267 HH TYR 37 HH TYR 37 -10.585 -18.117 -1.916 268 H SER 38 HN SER 38 -15.249 -14.142 3.517 269 HA SER 38 HA SER 38 -14.651 -12.763 6.019 270 HB2 SER 38 HB2 SER 38 -17.377 -12.834 4.687 271 HB3 SER 38 HB1 SER 38 -17.047 -12.185 6.295 272 HG SER 38 HG SER 38 -15.392 -11.111 4.429 273 H VAL 39 HN VAL 39 -16.492 -13.704 7.703 274 HA VAL 39 HA VAL 39 -16.601 -16.616 7.263 275 HB VAL 39 HB VAL 39 -16.102 -16.990 9.661 276 HG11 VAL 39 HG11 VAL 39 -13.692 -16.582 9.501 277 HG12 VAL 39 HG12 VAL 39 -13.962 -15.480 8.151 278 HG13 VAL 39 HG13 VAL 39 -14.341 -17.197 7.978 279 HG21 VAL 39 HG21 VAL 39 -15.441 -14.035 9.688 280 HG22 VAL 39 HG22 VAL 39 -15.095 -15.175 10.988 281 HG23 VAL 39 HG23 VAL 39 -16.764 -14.814 10.558 282 H TRP 40 HN TRP 40 -18.270 -17.732 8.346 283 HA TRP 40 HA TRP 40 -20.514 -16.178 9.402 284 HB2 TRP 40 HB2 TRP 40 -20.677 -16.050 6.937 285 HB3 TRP 40 HB1 TRP 40 -20.636 -17.798 6.840 286 HD1 TRP 40 HD1 TRP 40 -22.900 -19.111 7.521 287 HE1 TRP 40 HE1 TRP 40 -25.350 -18.329 7.507 288 HE3 TRP 40 HE3 TRP 40 -22.128 -14.063 7.443 289 HZ2 TRP 40 HZ2 TRP 40 -26.767 -15.888 7.477 290 HZ3 TRP 40 HZ3 TRP 40 -24.087 -12.569 7.417 291 HH2 TRP 40 HH2 TRP 40 -26.361 -13.465 7.433 292 H MET 41 HN MET 41 -21.880 -17.446 10.670 293 HA MET 41 HA MET 41 -20.831 -19.880 11.656 294 HB2 MET 41 HB2 MET 41 -23.181 -18.192 12.235 295 HB3 MET 41 HB1 MET 41 -23.406 -19.898 12.588 296 HG2 MET 41 HG2 MET 41 -21.412 -19.884 13.985 297 HG3 MET 41 HG1 MET 41 -21.178 -18.169 13.639 298 HE1 MET 41 HE1 MET 41 -21.243 -19.296 16.569 299 HE2 MET 41 HE2 MET 41 -22.310 -18.164 17.398 300 HE3 MET 41 HE3 MET 41 -21.114 -17.566 16.250 301 H ASP 42 HN ASP 42 -21.278 -21.944 11.252 302 HA ASP 42 HA ASP 42 -22.586 -22.553 8.754 303 HB2 ASP 42 HB2 ASP 42 -20.515 -23.720 9.367 304 HB3 ASP 42 HB1 ASP 42 -21.304 -24.403 10.787 305 H GLY 43 HN GLY 43 -24.361 -23.936 8.468 306 HA2 GLY 43 HA2 GLY 43 -26.300 -25.087 9.165 307 HA3 GLY 43 HA1 GLY 43 -26.033 -24.516 10.808 308 H ARG 44 HN ARG 44 -25.472 -21.804 9.441 309 HA ARG 44 HA ARG 44 -28.252 -20.898 9.412 310 HB2 ARG 44 HB2 ARG 44 -26.462 -19.746 10.793 311 HB3 ARG 44 HB1 ARG 44 -25.727 -19.223 9.283 312 HG2 ARG 44 HG2 ARG 44 -27.735 -17.967 8.716 313 HG3 ARG 44 HG1 ARG 44 -28.522 -18.536 10.191 314 HD2 ARG 44 HD2 ARG 44 -26.684 -17.455 11.498 315 HD3 ARG 44 HD1 ARG 44 -26.087 -16.764 9.988 316 HE ARG 44 HE ARG 44 -28.858 -16.220 10.764 317 HH11 ARG 44 HH11 ARG 44 -25.573 -15.073 10.410 318 HH12 ARG 44 HH12 ARG 44 -25.994 -13.401 10.589 319 HH21 ARG 44 HH21 ARG 44 -29.426 -14.027 11.006 320 HH22 ARG 44 HH22 ARG 44 -28.201 -12.798 10.902 321 H SER 45 HN SER 45 -29.102 -21.337 7.460 322 HA SER 45 HA SER 45 -27.666 -21.830 5.141 323 HB2 SER 45 HB2 SER 45 -30.579 -21.016 5.324 324 HB3 SER 45 HB1 SER 45 -29.819 -21.949 4.031 325 HG SER 45 HG SER 45 -30.995 -23.129 5.774 326 H LEU 46 HN LEU 46 -26.556 -20.538 3.962 327 HA LEU 46 HA LEU 46 -26.971 -17.729 3.806 328 HB2 LEU 46 HB2 LEU 46 -25.193 -19.687 2.373 329 HB3 LEU 46 HB1 LEU 46 -25.279 -18.016 1.868 330 HG LEU 46 HG LEU 46 -24.479 -18.886 4.649 331 HD11 LEU 46 HD11 LEU 46 -22.732 -18.034 2.338 332 HD12 LEU 46 HD12 LEU 46 -22.858 -19.667 2.991 333 HD13 LEU 46 HD13 LEU 46 -22.195 -18.371 3.984 334 HD21 LEU 46 HD21 LEU 46 -23.655 -16.583 4.842 335 HD22 LEU 46 HD22 LEU 46 -25.393 -16.624 4.546 336 HD23 LEU 46 HD23 LEU 46 -24.281 -16.220 3.234 337 HA PRO 47 HA PRO 47 -29.876 -17.909 0.402 338 HB2 PRO 47 HB2 PRO 47 -30.041 -15.284 -0.149 339 HB3 PRO 47 HB1 PRO 47 -30.700 -15.962 1.344 340 HG2 PRO 47 HG2 PRO 47 -28.144 -14.471 0.903 341 HG3 PRO 47 HG1 PRO 47 -29.287 -14.365 2.254 342 HD2 PRO 47 HD2 PRO 47 -26.924 -15.819 2.287 343 HD3 PRO 47 HD1 PRO 47 -28.308 -16.115 3.360 344 H ALA 48 HN ALA 48 -30.014 -17.498 -1.865 345 HA ALA 48 HA ALA 48 -27.820 -18.144 -3.377 346 HB1 ALA 48 HB1 ALA 48 -29.090 -17.391 -5.334 347 HB2 ALA 48 HB2 ALA 48 -30.216 -16.537 -4.275 348 HB3 ALA 48 HB3 ALA 48 -30.108 -18.295 -4.212 349 H GLY 49 HN GLY 49 -26.120 -17.099 -4.195 350 HA2 GLY 49 HA2 GLY 49 -25.145 -15.041 -5.105 351 HA3 GLY 49 HA1 GLY 49 -25.992 -14.163 -3.837 352 H TRP 50 HN TRP 50 -25.441 -16.140 -1.761 353 HA TRP 50 HA TRP 50 -22.694 -15.328 -1.162 354 HB2 TRP 50 HB2 TRP 50 -24.782 -16.764 0.498 355 HB3 TRP 50 HB1 TRP 50 -23.173 -16.345 1.079 356 HD1 TRP 50 HD1 TRP 50 -26.249 -14.474 -0.396 357 HE1 TRP 50 HE1 TRP 50 -26.444 -12.206 0.799 358 HE3 TRP 50 HE3 TRP 50 -22.106 -14.775 2.585 359 HZ2 TRP 50 HZ2 TRP 50 -25.033 -10.740 2.753 360 HZ3 TRP 50 HZ3 TRP 50 -21.604 -12.898 4.097 361 HH2 TRP 50 HH2 TRP 50 -23.038 -10.921 4.178 362 H GLU 51 HN GLU 51 -21.011 -16.781 -0.688 363 HA GLU 51 HA GLU 51 -21.453 -19.597 -1.424 364 HB2 GLU 51 HB2 GLU 51 -19.422 -19.630 -2.743 365 HB3 GLU 51 HB1 GLU 51 -20.470 -18.352 -3.350 366 HG2 GLU 51 HG2 GLU 51 -19.131 -16.763 -1.898 367 HG3 GLU 51 HG1 GLU 51 -17.983 -18.077 -1.685 368 H THR 52 HN THR 52 -20.044 -21.074 -0.474 369 HA THR 52 HA THR 52 -18.706 -20.135 1.985 370 HB THR 52 HB THR 52 -19.101 -22.485 2.822 371 HG1 THR 52 HG1 THR 52 -20.039 -23.901 1.552 372 HG21 THR 52 HG21 THR 52 -20.571 -20.680 3.542 373 HG22 THR 52 HG22 THR 52 -21.497 -22.163 3.310 374 HG23 THR 52 HG23 THR 52 -21.561 -20.885 2.096 375 H VAL 53 HN VAL 53 -16.751 -21.101 2.603 376 HA VAL 53 HA VAL 53 -15.284 -22.824 0.764 377 HB VAL 53 HB VAL 53 -14.116 -20.101 1.425 378 HG11 VAL 53 HG11 VAL 53 -13.280 -22.202 -0.576 379 HG12 VAL 53 HG12 VAL 53 -12.491 -21.841 0.961 380 HG13 VAL 53 HG13 VAL 53 -12.494 -20.642 -0.333 381 HG21 VAL 53 HG21 VAL 53 -14.525 -19.406 -0.902 382 HG22 VAL 53 HG22 VAL 53 -16.021 -19.657 -0.006 383 HG23 VAL 53 HG23 VAL 53 -15.476 -20.870 -1.164 384 H GLY 54 HN GLY 54 -13.349 -23.657 1.748 385 HA2 GLY 54 HA2 GLY 54 -11.581 -23.619 3.296 386 HA3 GLY 54 HA1 GLY 54 -12.527 -22.560 4.326 387 H GLU 55 HN GLU 55 -11.877 -23.927 6.040 388 HA GLU 55 HA GLU 55 -13.245 -26.521 6.219 389 HB2 GLU 55 HB2 GLU 55 -10.868 -26.623 6.740 390 HB3 GLU 55 HB1 GLU 55 -11.020 -25.292 7.880 391 HG2 GLU 55 HG2 GLU 55 -12.427 -26.686 9.323 392 HG3 GLU 55 HG1 GLU 55 -12.274 -28.019 8.182 393 HA PRO 56 HA PRO 56 -16.146 -24.414 8.928 394 HB2 PRO 56 HB2 PRO 56 -17.472 -26.588 9.856 395 HB3 PRO 56 HB1 PRO 56 -17.752 -25.910 8.255 396 HG2 PRO 56 HG2 PRO 56 -16.076 -28.267 9.046 397 HG3 PRO 56 HG1 PRO 56 -17.194 -28.103 7.678 398 HD2 PRO 56 HD2 PRO 56 -14.514 -27.844 7.399 399 HD3 PRO 56 HD1 PRO 56 -15.653 -26.943 6.400 400 H ALA 57 HN ALA 57 -15.210 -23.587 10.640 401 HA ALA 57 HA ALA 57 -14.626 -25.163 12.981 402 HB1 ALA 57 HB1 ALA 57 -12.575 -25.508 11.663 403 HB2 ALA 57 HB2 ALA 57 -12.259 -24.583 13.130 404 HB3 ALA 57 HB3 ALA 57 -12.344 -23.761 11.571 405 H THR 58 HN THR 58 -13.599 -23.647 14.701 406 HA THR 58 HA THR 58 -15.469 -21.645 15.201 407 HB THR 58 HB THR 58 -14.270 -22.745 17.011 408 HG1 THR 58 HG1 THR 58 -15.008 -20.817 17.707 409 HG21 THR 58 HG21 THR 58 -11.831 -21.231 16.052 410 HG22 THR 58 HG22 THR 58 -12.072 -22.975 15.938 411 HG23 THR 58 HG23 THR 58 -11.931 -22.206 17.519 412 H LYS 59 HN LYS 59 -14.946 -19.377 15.765 413 HA LYS 59 HA LYS 59 -14.386 -17.822 13.561 414 HB2 LYS 59 HB2 LYS 59 -15.499 -17.167 15.768 415 HB3 LYS 59 HB1 LYS 59 -13.885 -16.951 16.420 416 HG2 LYS 59 HG2 LYS 59 -14.415 -14.800 15.833 417 HG3 LYS 59 HG1 LYS 59 -13.592 -15.340 14.367 418 HD2 LYS 59 HD2 LYS 59 -15.669 -15.693 13.236 419 HD3 LYS 59 HD1 LYS 59 -16.587 -15.486 14.729 420 HE2 LYS 59 HE2 LYS 59 -15.668 -13.116 14.801 421 HE3 LYS 59 HE1 LYS 59 -15.115 -13.386 13.150 422 HZ1 LYS 59 HZ1 LYS 59 -17.361 -13.720 12.439 423 HZ2 LYS 59 HZ2 LYS 59 -17.307 -12.275 13.311 424 HZ3 LYS 59 HZ3 LYS 59 -17.939 -13.666 14.025 425 H GLN 60 HN GLN 60 -12.244 -18.581 16.275 426 HA GLN 60 HA GLN 60 -10.006 -17.121 15.545 427 HB2 GLN 60 HB2 GLN 60 -10.244 -18.204 17.725 428 HB3 GLN 60 HB1 GLN 60 -10.146 -19.787 16.969 429 HG2 GLN 60 HG2 GLN 60 -7.838 -19.282 16.263 430 HG3 GLN 60 HG1 GLN 60 -7.944 -17.729 17.094 431 HE21 GLN 60 HE21 GLN 60 -7.763 -21.184 17.484 432 HE22 GLN 60 HE22 GLN 60 -7.369 -21.173 19.165 433 H GLN 61 HN GLN 61 -10.947 -20.388 14.548 434 HA GLN 61 HA GLN 61 -8.514 -20.969 13.178 435 HB2 GLN 61 HB2 GLN 61 -11.259 -22.227 13.140 436 HB3 GLN 61 HB1 GLN 61 -9.951 -22.816 12.123 437 HG2 GLN 61 HG2 GLN 61 -9.808 -22.640 15.131 438 HG3 GLN 61 HG1 GLN 61 -10.264 -24.090 14.235 439 HE21 GLN 61 HE21 GLN 61 -8.711 -25.145 12.981 440 HE22 GLN 61 HE22 GLN 61 -7.020 -24.897 13.221 441 H CYS 62 HN CYS 62 -11.744 -19.914 12.124 442 HA CYS 62 HA CYS 62 -11.199 -20.099 9.373 443 HB2 CYS 62 HB2 CYS 62 -13.238 -18.626 9.133 444 HB3 CYS 62 HB1 CYS 62 -13.473 -20.104 10.053 445 HG CYS 62 HG CYS 62 -14.319 -19.024 12.201 446 H LEU 63 HN LEU 63 -10.961 -17.308 11.613 447 HA LEU 63 HA LEU 63 -10.153 -15.510 9.556 448 HB2 LEU 63 HB2 LEU 63 -9.501 -13.962 11.290 449 HB3 LEU 63 HB1 LEU 63 -11.044 -14.685 11.687 450 HG LEU 63 HG LEU 63 -9.534 -16.307 13.152 451 HD11 LEU 63 HD11 LEU 63 -7.833 -13.814 12.951 452 HD12 LEU 63 HD12 LEU 63 -7.382 -15.448 12.467 453 HD13 LEU 63 HD13 LEU 63 -7.646 -15.078 14.170 454 HD21 LEU 63 HD21 LEU 63 -11.311 -14.885 14.022 455 HD22 LEU 63 HD22 LEU 63 -10.238 -13.485 13.971 456 HD23 LEU 63 HD23 LEU 63 -9.894 -14.822 15.069 457 H GLN 64 HN GLN 64 -8.387 -17.578 11.794 458 HA GLN 64 HA GLN 64 -5.773 -16.803 11.157 459 HB2 GLN 64 HB2 GLN 64 -6.301 -18.218 13.077 460 HB3 GLN 64 HB1 GLN 64 -6.856 -19.496 12.007 461 HG2 GLN 64 HG2 GLN 64 -4.565 -19.719 11.126 462 HG3 GLN 64 HG1 GLN 64 -4.027 -18.479 12.258 463 HE21 GLN 64 HE21 GLN 64 -6.409 -20.960 13.003 464 HE22 GLN 64 HE22 GLN 64 -5.445 -21.805 14.149 465 H ARG 65 HN ARG 65 -8.044 -18.883 9.526 466 HA ARG 65 HA ARG 65 -6.129 -20.043 7.746 467 HB2 ARG 65 HB2 ARG 65 -8.241 -21.185 8.248 468 HB3 ARG 65 HB1 ARG 65 -9.148 -19.861 7.521 469 HG2 ARG 65 HG2 ARG 65 -8.204 -20.351 5.352 470 HG3 ARG 65 HG1 ARG 65 -7.175 -21.602 6.046 471 HD2 ARG 65 HD2 ARG 65 -9.278 -22.793 6.749 472 HD3 ARG 65 HD1 ARG 65 -10.181 -21.611 5.797 473 HE ARG 65 HE ARG 65 -8.525 -23.776 4.805 474 HH11 ARG 65 HH11 ARG 65 -10.272 -20.840 4.027 475 HH12 ARG 65 HH12 ARG 65 -10.245 -21.131 2.320 476 HH21 ARG 65 HH21 ARG 65 -8.502 -24.160 2.551 477 HH22 ARG 65 HH22 ARG 65 -9.245 -23.015 1.480 478 H ILE 66 HN ILE 66 -8.595 -17.486 7.388 479 HA ILE 66 HA ILE 66 -8.046 -17.074 4.641 480 HB ILE 66 HB ILE 66 -9.392 -14.999 4.850 481 HG12 ILE 66 HG12 ILE 66 -9.701 -15.801 7.760 482 HG13 ILE 66 HG11 ILE 66 -8.731 -14.444 7.203 483 HG21 ILE 66 HG21 ILE 66 -10.441 -17.143 4.372 484 HG22 ILE 66 HG22 ILE 66 -11.497 -16.144 5.372 485 HG23 ILE 66 HG23 ILE 66 -10.591 -17.472 6.098 486 HD11 ILE 66 HD11 ILE 66 -10.913 -13.727 8.034 487 HD12 ILE 66 HD12 ILE 66 -11.709 -14.740 6.828 488 HD13 ILE 66 HD13 ILE 66 -10.727 -13.365 6.318 489 H GLU 67 HN GLU 67 -6.728 -15.611 7.551 490 HA GLU 67 HA GLU 67 -5.542 -13.365 6.320 491 HB2 GLU 67 HB2 GLU 67 -4.128 -13.206 8.306 492 HB3 GLU 67 HB1 GLU 67 -5.796 -13.532 8.755 493 HG2 GLU 67 HG2 GLU 67 -5.293 -15.826 9.219 494 HG3 GLU 67 HG1 GLU 67 -3.658 -15.647 8.584 495 H GLN 68 HN GLN 68 -4.560 -16.702 6.623 496 HA GLN 68 HA GLN 68 -1.892 -16.183 5.588 497 HB2 GLN 68 HB2 GLN 68 -3.268 -18.806 6.243 498 HB3 GLN 68 HB1 GLN 68 -1.565 -18.615 5.840 499 HG2 GLN 68 HG2 GLN 68 -1.250 -17.235 7.844 500 HG3 GLN 68 HG1 GLN 68 -2.952 -17.450 8.252 501 HE21 GLN 68 HE21 GLN 68 -0.627 -18.160 9.804 502 HE22 GLN 68 HE22 GLN 68 -0.715 -19.863 10.082 503 H LEU 69 HN LEU 69 -4.837 -16.339 4.169 504 HA LEU 69 HA LEU 69 -3.884 -17.802 1.793 505 HB2 LEU 69 HB2 LEU 69 -6.701 -16.979 2.518 506 HB3 LEU 69 HB1 LEU 69 -6.237 -17.870 1.080 507 HG LEU 69 HG LEU 69 -6.018 -18.862 3.929 508 HD11 LEU 69 HD11 LEU 69 -8.310 -18.770 3.135 509 HD12 LEU 69 HD12 LEU 69 -7.765 -20.441 3.270 510 HD13 LEU 69 HD13 LEU 69 -7.864 -19.670 1.684 511 HD21 LEU 69 HD21 LEU 69 -4.208 -19.739 2.541 512 HD22 LEU 69 HD22 LEU 69 -5.381 -20.279 1.340 513 HD23 LEU 69 HD23 LEU 69 -5.368 -21.003 2.949 514 H TRP 70 HN TRP 70 -6.011 -15.030 2.446 515 HA TRP 70 HA TRP 70 -5.428 -13.925 -0.172 516 HB2 TRP 70 HB2 TRP 70 -7.744 -13.989 0.610 517 HB3 TRP 70 HB1 TRP 70 -7.320 -13.030 2.021 518 HD1 TRP 70 HD1 TRP 70 -7.182 -12.585 -1.848 519 HE1 TRP 70 HE1 TRP 70 -7.811 -10.146 -2.384 520 HE3 TRP 70 HE3 TRP 70 -7.789 -10.836 2.922 521 HZ2 TRP 70 HZ2 TRP 70 -8.483 -7.802 -0.978 522 HZ3 TRP 70 HZ3 TRP 70 -8.431 -8.479 3.239 523 HH2 TRP 70 HH2 TRP 70 -8.771 -6.994 1.327 524 H THR 71 HN THR 71 -5.314 -12.798 3.179 525 HA THR 71 HA THR 71 -3.998 -10.353 2.489 526 HB THR 71 HB THR 71 -4.173 -11.305 5.325 527 HG1 THR 71 HG1 THR 71 -6.468 -10.338 5.050 528 HG21 THR 71 HG21 THR 71 -4.806 -8.960 5.701 529 HG22 THR 71 HG22 THR 71 -4.785 -8.667 3.961 530 HG23 THR 71 HG23 THR 71 -3.289 -9.067 4.808 531 H ASP 72 HN ASP 72 -2.936 -13.472 2.912 532 HA ASP 72 HA ASP 72 -0.929 -13.626 4.693 533 HB2 ASP 72 HB2 ASP 72 -1.636 -15.487 3.259 534 HB3 ASP 72 HB1 ASP 72 -0.810 -14.743 1.893 535 H MET 73 HN MET 73 -0.729 -11.959 1.601 536 HA MET 73 HA MET 73 2.090 -11.665 1.547 537 HB2 MET 73 HB2 MET 73 0.652 -11.351 -0.456 538 HB3 MET 73 HB1 MET 73 0.014 -9.877 0.258 539 HG2 MET 73 HG2 MET 73 2.259 -8.889 0.219 540 HG3 MET 73 HG1 MET 73 2.891 -10.365 -0.507 541 HE1 MET 73 HE1 MET 73 -0.563 -8.625 -1.246 542 HE2 MET 73 HE2 MET 73 -0.133 -7.576 -2.596 543 HE3 MET 73 HE3 MET 73 0.531 -7.260 -0.994 544 H VAL 74 HN VAL 74 2.450 -11.151 3.755 545 HA VAL 74 HA VAL 74 1.601 -8.593 4.796 546 HB VAL 74 HB VAL 74 1.610 -10.389 6.364 547 HG11 VAL 74 HG11 VAL 74 4.501 -10.866 5.629 548 HG12 VAL 74 HG12 VAL 74 3.131 -11.922 5.274 549 HG13 VAL 74 HG13 VAL 74 3.643 -11.668 6.945 550 HG21 VAL 74 HG21 VAL 74 4.021 -8.659 6.941 551 HG22 VAL 74 HG22 VAL 74 3.087 -9.574 8.126 552 HG23 VAL 74 HG23 VAL 74 2.339 -8.230 7.262 553 HA PRO 75 HA PRO 75 5.178 -6.440 3.219 554 HB2 PRO 75 HB2 PRO 75 4.571 -4.381 5.244 555 HB3 PRO 75 HB1 PRO 75 4.553 -4.258 3.483 556 HG2 PRO 75 HG2 PRO 75 2.284 -4.235 4.927 557 HG3 PRO 75 HG1 PRO 75 2.365 -4.993 3.324 558 HD2 PRO 75 HD2 PRO 75 2.456 -6.282 6.034 559 HD3 PRO 75 HD1 PRO 75 1.573 -6.785 4.575 560 H ALA 76 HN ALA 76 6.737 -4.705 4.668 561 HA ALA 76 HA ALA 76 8.663 -6.335 5.822 562 HB1 ALA 76 HB1 ALA 76 9.080 -4.068 4.949 563 HB2 ALA 76 HB2 ALA 76 9.739 -4.292 6.570 564 HB3 ALA 76 HB3 ALA 76 8.237 -3.392 6.344 565 H SER 77 HN SER 77 5.769 -5.129 7.166 566 HA SER 77 HA SER 77 6.235 -4.867 9.853 567 HB2 SER 77 HB2 SER 77 3.818 -6.241 8.648 568 HB3 SER 77 HB1 SER 77 3.896 -5.350 10.170 569 HG SER 77 HG SER 77 3.046 -3.964 8.679 570 H VAL 78 HN VAL 78 6.150 -7.808 7.953 571 HA VAL 78 HA VAL 78 5.787 -9.718 9.949 572 HB VAL 78 HB VAL 78 5.791 -10.286 7.559 573 HG11 VAL 78 HG11 VAL 78 7.620 -8.867 6.800 574 HG12 VAL 78 HG12 VAL 78 7.904 -10.543 6.325 575 HG13 VAL 78 HG13 VAL 78 8.781 -9.854 7.691 576 HG21 VAL 78 HG21 VAL 78 7.877 -11.823 9.117 577 HG22 VAL 78 HG22 VAL 78 7.008 -12.409 7.697 578 HG23 VAL 78 HG23 VAL 78 6.133 -12.076 9.191 579 H ARG 79 HN ARG 79 8.647 -7.904 9.035 580 HA ARG 79 HA ARG 79 10.654 -9.406 10.229 581 HB2 ARG 79 HB2 ARG 79 10.426 -6.416 9.865 582 HB3 ARG 79 HB1 ARG 79 11.893 -7.214 10.417 583 HG2 ARG 79 HG2 ARG 79 12.026 -8.452 8.313 584 HG3 ARG 79 HG1 ARG 79 10.538 -7.677 7.757 585 HD2 ARG 79 HD2 ARG 79 11.588 -5.511 7.781 586 HD3 ARG 79 HD1 ARG 79 13.039 -6.174 8.533 587 HE ARG 79 HE ARG 79 12.426 -7.393 6.010 588 HH11 ARG 79 HH11 ARG 79 13.923 -4.599 7.503 589 HH12 ARG 79 HH12 ARG 79 15.046 -4.353 6.204 590 HH21 ARG 79 HH21 ARG 79 13.915 -7.056 4.296 591 HH22 ARG 79 HH22 ARG 79 15.043 -5.739 4.394 592 H GLU 80 HN GLU 80 8.282 -7.328 11.704 593 HA GLU 80 HA GLU 80 9.642 -6.879 14.156 594 HB2 GLU 80 HB2 GLU 80 7.794 -5.452 13.401 595 HB3 GLU 80 HB1 GLU 80 6.678 -6.803 13.532 596 HG2 GLU 80 HG2 GLU 80 6.963 -6.864 15.931 597 HG3 GLU 80 HG1 GLU 80 8.202 -5.614 15.847 598 H HIS 81 HN HIS 81 7.404 -9.367 13.037 599 HA HIS 81 HA HIS 81 7.459 -10.663 15.663 600 HB2 HIS 81 HB2 HIS 81 5.284 -10.414 14.433 601 HB3 HIS 81 HB1 HIS 81 5.915 -11.493 13.188 602 HD1 HIS 81 HD1 HIS 81 5.656 -13.971 13.599 603 HD2 HIS 81 HD2 HIS 81 4.993 -11.692 17.018 604 HE1 HIS 81 HE1 HIS 81 4.838 -15.579 15.343 605 HE2 HIS 81 HE2 HIS 81 4.611 -14.211 17.441 606 H LEU 82 HN LEU 82 8.959 -10.818 12.609 607 HA LEU 82 HA LEU 82 9.462 -13.641 12.590 608 HB2 LEU 82 HB2 LEU 82 9.330 -11.965 10.578 609 HB3 LEU 82 HB1 LEU 82 11.012 -11.656 10.948 610 HG LEU 82 HG LEU 82 10.728 -13.288 9.117 611 HD11 LEU 82 HD11 LEU 82 12.743 -13.399 10.505 612 HD12 LEU 82 HD12 LEU 82 12.266 -14.990 9.916 613 HD13 LEU 82 HD13 LEU 82 11.934 -14.534 11.587 614 HD21 LEU 82 HD21 LEU 82 8.630 -14.291 9.816 615 HD22 LEU 82 HD22 LEU 82 9.414 -15.014 11.220 616 HD23 LEU 82 HD23 LEU 82 9.860 -15.534 9.595 617 H ASN 83 HN ASN 83 10.331 -13.723 14.761 618 HA ASN 83 HA ASN 83 13.100 -12.900 15.100 619 HB2 ASN 83 HB2 ASN 83 11.627 -13.002 17.077 620 HB3 ASN 83 HB1 ASN 83 11.311 -14.707 16.771 621 HD21 ASN 83 HD21 ASN 83 12.118 -15.443 18.692 622 HD22 ASN 83 HD22 ASN 83 13.794 -15.369 19.116 623 H GLN 84 HN GLN 84 14.876 -14.271 14.808 624 HA GLN 84 HA GLN 84 14.665 -16.392 12.995 625 HB2 GLN 84 HB2 GLN 84 16.874 -15.996 15.037 626 HB3 GLN 84 HB1 GLN 84 16.983 -16.921 13.548 627 HG2 GLN 84 HG2 GLN 84 16.674 -13.940 13.817 628 HG3 GLN 84 HG1 GLN 84 18.093 -14.820 13.252 629 HE21 GLN 84 HE21 GLN 84 18.043 -15.768 11.176 630 HE22 GLN 84 HE22 GLN 84 16.897 -15.262 9.987 631 H HIS 85 HN HIS 85 13.374 -18.115 13.417 632 HA HIS 85 HA HIS 85 13.715 -19.500 15.997 633 HB2 HIS 85 HB2 HIS 85 11.315 -20.025 16.021 634 HB3 HIS 85 HB1 HIS 85 11.588 -18.290 16.023 635 HD1 HIS 85 HD1 HIS 85 10.932 -16.992 13.836 636 HD2 HIS 85 HD2 HIS 85 9.874 -21.010 13.862 637 HE1 HIS 85 HE1 HIS 85 9.271 -17.258 11.975 638 HE2 HIS 85 HE2 HIS 85 8.526 -19.659 12.108 639 H SER 86 HN SER 86 14.636 -21.366 15.650 640 HA SER 86 HA SER 86 14.216 -22.801 13.136 641 HB2 SER 86 HB2 SER 86 16.535 -22.428 13.858 642 HB3 SER 86 HB1 SER 86 16.207 -23.255 15.380 643 HG SER 86 HG SER 86 16.307 -25.129 14.405 644 H GLY 87 HN GLY 87 12.054 -23.421 13.669 645 HA2 GLY 87 HA2 GLY 87 11.422 -25.891 14.227 646 HA3 GLY 87 HA1 GLY 87 11.734 -25.337 15.867 647 HA PRO 88 HA PRO 88 7.214 -24.607 14.679 648 HB2 PRO 88 HB2 PRO 88 6.810 -25.928 17.309 649 HB3 PRO 88 HB1 PRO 88 5.986 -26.204 15.771 650 HG2 PRO 88 HG2 PRO 88 7.746 -27.971 16.720 651 HG3 PRO 88 HG1 PRO 88 7.637 -27.620 14.983 652 HD2 PRO 88 HD2 PRO 88 9.644 -26.642 16.991 653 HD3 PRO 88 HD1 PRO 88 9.897 -27.197 15.322 654 H GLY 89 HN GLY 89 5.955 -22.972 15.493 655 HA2 GLY 89 HA2 GLY 89 6.130 -21.928 18.119 656 HA3 GLY 89 HA1 GLY 89 7.094 -20.948 17.016 657 H ILE 90 HN ILE 90 4.755 -20.080 18.430 658 HA ILE 90 HA ILE 90 2.538 -20.062 16.635 659 HB ILE 90 HB ILE 90 1.671 -18.197 18.136 660 HG12 ILE 90 HG12 ILE 90 4.096 -18.986 19.778 661 HG13 ILE 90 HG11 ILE 90 3.860 -17.429 18.995 662 HG21 ILE 90 HG21 ILE 90 2.389 -20.834 19.411 663 HG22 ILE 90 HG22 ILE 90 1.014 -20.542 18.346 664 HG23 ILE 90 HG23 ILE 90 1.092 -19.752 19.920 665 HD11 ILE 90 HD11 ILE 90 2.205 -18.568 21.236 666 HD12 ILE 90 HD12 ILE 90 1.912 -17.022 20.437 667 HD13 ILE 90 HD13 ILE 90 3.395 -17.274 21.359 668 H ASP 91 HN ASP 91 3.299 -19.375 14.689 669 HA ASP 91 HA ASP 91 3.790 -16.469 14.505 670 HB2 ASP 91 HB2 ASP 91 5.637 -18.293 13.746 671 HB3 ASP 91 HB1 ASP 91 4.700 -18.208 12.256 672 H TYR 92 HN TYR 92 2.800 -15.414 12.675 673 HA TYR 92 HA TYR 92 0.535 -16.858 11.500 674 HB2 TYR 92 HB2 TYR 92 0.169 -14.363 13.198 675 HB3 TYR 92 HB1 TYR 92 -1.095 -15.196 12.302 676 HD1 TYR 92 HD1 TYR 92 -1.805 -17.491 13.038 677 HD2 TYR 92 HD2 TYR 92 0.814 -15.076 15.371 678 HE1 TYR 92 HE1 TYR 92 -2.305 -18.867 15.015 679 HE2 TYR 92 HE2 TYR 92 0.330 -16.448 17.351 680 HH TYR 92 HH TYR 92 -1.422 -17.925 18.178 681 H ALA 93 HN ALA 93 -0.867 -14.987 10.341 682 HA ALA 93 HA ALA 93 1.019 -13.494 8.645 683 HB1 ALA 93 HB1 ALA 93 -1.824 -14.360 8.067 684 HB2 ALA 93 HB2 ALA 93 -0.368 -15.171 7.491 685 HB3 ALA 93 HB3 ALA 93 -0.740 -13.538 6.944 686 H VAL 94 HN VAL 94 -1.333 -11.914 7.626 687 HA VAL 94 HA VAL 94 -1.510 -10.063 9.909 688 HB VAL 94 HB VAL 94 -0.089 -9.077 8.272 689 HG11 VAL 94 HG11 VAL 94 -0.749 -8.705 5.934 690 HG12 VAL 94 HG12 VAL 94 -2.243 -9.598 6.214 691 HG13 VAL 94 HG13 VAL 94 -0.688 -10.424 6.329 692 HG21 VAL 94 HG21 VAL 94 -1.316 -7.033 7.669 693 HG22 VAL 94 HG22 VAL 94 -1.662 -7.534 9.325 694 HG23 VAL 94 HG23 VAL 94 -2.838 -7.839 8.047 695 H ARG 95 HN ARG 95 -3.458 -10.774 10.690 696 HA ARG 95 HA ARG 95 -5.823 -10.307 8.997 697 HB2 ARG 95 HB2 ARG 95 -5.493 -12.485 10.408 698 HB3 ARG 95 HB1 ARG 95 -5.886 -11.481 11.790 699 HG2 ARG 95 HG2 ARG 95 -7.705 -11.796 9.404 700 HG3 ARG 95 HG1 ARG 95 -7.770 -12.840 10.819 701 HD2 ARG 95 HD2 ARG 95 -9.388 -11.313 11.371 702 HD3 ARG 95 HD1 ARG 95 -7.982 -10.546 12.103 703 HE ARG 95 HE ARG 95 -8.602 -9.730 9.387 704 HH11 ARG 95 HH11 ARG 95 -8.851 -8.996 12.809 705 HH12 ARG 95 HH12 ARG 95 -9.346 -7.355 12.540 706 HH21 ARG 95 HH21 ARG 95 -9.235 -7.575 9.048 707 HH22 ARG 95 HH22 ARG 95 -9.555 -6.544 10.409 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -0.799 -1.279 2.787 2 H2 MET 1 HT2 MET 1 0.590 -1.770 3.604 3 H3 MET 1 HT3 MET 1 -0.914 -2.385 4.061 4 HA MET 1 HA MET 1 0.310 -4.021 2.806 5 HB2 MET 1 HB2 MET 1 -2.018 -2.820 1.275 6 HB3 MET 1 HB1 MET 1 -1.369 -4.434 1.015 7 HG2 MET 1 HG2 MET 1 -2.012 -5.066 3.284 8 HG3 MET 1 HG1 MET 1 -2.643 -3.442 3.560 9 HE1 MET 1 HE1 MET 1 -4.772 -2.444 2.317 10 HE2 MET 1 HE2 MET 1 -5.668 -3.307 1.067 11 HE3 MET 1 HE3 MET 1 -4.018 -2.767 0.755 12 H ALA 2 HN ALA 2 2.122 -4.102 1.627 13 HA ALA 2 HA ALA 2 2.245 -3.036 -1.025 14 HB1 ALA 2 HB1 ALA 2 2.727 -0.975 0.193 15 HB2 ALA 2 HB2 ALA 2 4.166 -1.533 -0.662 16 HB3 ALA 2 HB3 ALA 2 4.022 -1.782 1.079 17 H HIS 3 HN HIS 3 4.595 -3.324 -1.872 18 HA HIS 3 HA HIS 3 6.340 -4.682 -2.356 19 HB2 HIS 3 HB2 HIS 3 6.398 -4.942 0.659 20 HB3 HIS 3 HB1 HIS 3 7.682 -5.508 -0.407 21 HD1 HIS 3 HD1 HIS 3 7.428 -2.979 1.800 22 HD2 HIS 3 HD2 HIS 3 8.061 -2.931 -2.308 23 HE1 HIS 3 HE1 HIS 3 8.522 -0.767 1.306 24 HE2 HIS 3 HE2 HIS 3 9.026 -0.829 -1.163 25 H HIS 4 HN HIS 4 4.025 -5.935 -2.869 26 HA HIS 4 HA HIS 4 3.969 -8.556 -1.703 27 HB2 HIS 4 HB2 HIS 4 2.578 -7.319 -4.072 28 HB3 HIS 4 HB1 HIS 4 2.472 -9.048 -3.758 29 HD1 HIS 4 HD1 HIS 4 -0.109 -7.542 -3.653 30 HD2 HIS 4 HD2 HIS 4 2.351 -7.972 -0.331 31 HE1 HIS 4 HE1 HIS 4 -1.612 -7.271 -1.663 32 HE2 HIS 4 HE2 HIS 4 -0.141 -7.787 0.317 33 H HIS 5 HN HIS 5 6.189 -9.105 -1.930 34 HA HIS 5 HA HIS 5 7.434 -9.655 -4.402 35 HB2 HIS 5 HB2 HIS 5 8.763 -11.355 -2.994 36 HB3 HIS 5 HB1 HIS 5 8.859 -9.664 -2.516 37 HD1 HIS 5 HD1 HIS 5 7.781 -8.993 -0.275 38 HD2 HIS 5 HD2 HIS 5 7.446 -13.044 -1.156 39 HE1 HIS 5 HE1 HIS 5 7.019 -10.090 1.855 40 HE2 HIS 5 HE2 HIS 5 6.600 -12.491 1.222 41 H HIS 6 HN HIS 6 6.609 -10.918 -5.932 42 HA HIS 6 HA HIS 6 5.394 -12.486 -7.015 43 HB2 HIS 6 HB2 HIS 6 5.813 -14.024 -4.447 44 HB3 HIS 6 HB1 HIS 6 4.851 -14.671 -5.770 45 HD1 HIS 6 HD1 HIS 6 6.158 -15.075 -8.058 46 HD2 HIS 6 HD2 HIS 6 8.530 -14.335 -4.729 47 HE1 HIS 6 HE1 HIS 6 8.461 -15.850 -8.689 48 HE2 HIS 6 HE2 HIS 6 9.836 -15.555 -6.601 49 H HIS 7 HN HIS 7 3.189 -13.659 -6.894 50 HA HIS 7 HA HIS 7 1.326 -11.628 -6.152 51 HB2 HIS 7 HB2 HIS 7 1.066 -13.050 -8.176 52 HB3 HIS 7 HB1 HIS 7 0.774 -14.442 -7.141 53 HD1 HIS 7 HD1 HIS 7 -1.623 -14.930 -6.755 54 HD2 HIS 7 HD2 HIS 7 -0.983 -10.923 -7.667 55 HE1 HIS 7 HE1 HIS 7 -3.904 -13.884 -6.856 56 HE2 HIS 7 HE2 HIS 7 -3.497 -11.514 -7.600 57 H HIS 8 HN HIS 8 1.308 -15.084 -5.283 58 HA HIS 8 HA HIS 8 0.937 -14.573 -2.475 59 HB2 HIS 8 HB2 HIS 8 -1.389 -15.506 -4.169 60 HB3 HIS 8 HB1 HIS 8 -1.257 -15.987 -2.485 61 HD1 HIS 8 HD1 HIS 8 -3.527 -14.170 -3.759 62 HD2 HIS 8 HD2 HIS 8 -0.321 -12.878 -1.468 63 HE1 HIS 8 HE1 HIS 8 -4.247 -11.977 -2.779 64 HE2 HIS 8 HE2 HIS 8 -2.426 -11.422 -1.137 65 H MET 9 HN MET 9 0.516 -16.792 -1.340 66 HA MET 9 HA MET 9 2.102 -18.831 -2.718 67 HB2 MET 9 HB2 MET 9 2.141 -20.017 -0.565 68 HB3 MET 9 HB1 MET 9 2.724 -18.369 -0.409 69 HG2 MET 9 HG2 MET 9 0.661 -17.677 0.618 70 HG3 MET 9 HG1 MET 9 -0.056 -19.262 0.329 71 HE1 MET 9 HE1 MET 9 3.641 -18.547 1.437 72 HE2 MET 9 HE2 MET 9 3.508 -18.600 3.195 73 HE3 MET 9 HE3 MET 9 2.745 -17.290 2.291 74 H GLY 10 HN GLY 10 -1.118 -18.399 -1.283 75 HA2 GLY 10 HA2 GLY 10 -3.118 -19.237 -2.122 76 HA3 GLY 10 HA1 GLY 10 -2.210 -20.212 -3.263 77 H THR 11 HN THR 11 -4.093 -20.264 -0.530 78 HA THR 11 HA THR 11 -3.788 -23.130 -0.242 79 HB THR 11 HB THR 11 -3.485 -21.361 2.218 80 HG1 THR 11 HG1 THR 11 -1.582 -22.486 0.482 81 HG21 THR 11 HG21 THR 11 -4.454 -23.575 2.664 82 HG22 THR 11 HG22 THR 11 -2.828 -23.449 3.336 83 HG23 THR 11 HG23 THR 11 -3.094 -24.339 1.837 84 H LEU 12 HN LEU 12 -5.585 -23.813 1.546 85 HA LEU 12 HA LEU 12 -7.681 -21.843 1.866 86 HB2 LEU 12 HB2 LEU 12 -8.132 -22.846 -0.365 87 HB3 LEU 12 HB1 LEU 12 -8.267 -24.420 0.396 88 HG LEU 12 HG LEU 12 -10.217 -23.613 1.691 89 HD11 LEU 12 HD11 LEU 12 -9.651 -21.243 1.793 90 HD12 LEU 12 HD12 LEU 12 -11.265 -21.478 1.124 91 HD13 LEU 12 HD13 LEU 12 -9.914 -21.095 0.055 92 HD21 LEU 12 HD21 LEU 12 -10.592 -24.764 -0.422 93 HD22 LEU 12 HD22 LEU 12 -10.453 -23.237 -1.296 94 HD23 LEU 12 HD23 LEU 12 -11.799 -23.498 -0.185 95 H GLU 13 HN GLU 13 -7.678 -25.430 2.005 96 HA GLU 13 HA GLU 13 -8.639 -25.243 4.755 97 HB2 GLU 13 HB2 GLU 13 -8.218 -27.749 3.109 98 HB3 GLU 13 HB1 GLU 13 -9.110 -27.610 4.616 99 HG2 GLU 13 HG2 GLU 13 -10.904 -27.501 3.276 100 HG3 GLU 13 HG1 GLU 13 -10.442 -25.810 3.086 101 H ALA 14 HN ALA 14 -6.819 -24.575 5.860 102 HA ALA 14 HA ALA 14 -5.086 -26.739 6.669 103 HB1 ALA 14 HB1 ALA 14 -3.870 -24.227 5.500 104 HB2 ALA 14 HB2 ALA 14 -3.822 -25.831 4.770 105 HB3 ALA 14 HB3 ALA 14 -2.989 -25.532 6.295 106 H GLN 15 HN GLN 15 -5.705 -26.604 8.755 107 HA GLN 15 HA GLN 15 -6.292 -24.236 10.148 108 HB2 GLN 15 HB2 GLN 15 -5.476 -26.950 11.191 109 HB3 GLN 15 HB1 GLN 15 -6.055 -25.640 12.213 110 HG2 GLN 15 HG2 GLN 15 -8.196 -25.660 11.050 111 HG3 GLN 15 HG1 GLN 15 -7.625 -26.956 9.999 112 HE21 GLN 15 HE21 GLN 15 -9.239 -28.374 10.663 113 HE22 GLN 15 HE22 GLN 15 -9.247 -29.102 12.231 114 H THR 16 HN THR 16 -3.369 -26.098 9.844 115 HA THR 16 HA THR 16 -1.211 -25.783 10.507 116 HB THR 16 HB THR 16 -1.834 -22.817 10.393 117 HG1 THR 16 HG1 THR 16 -2.538 -23.394 8.437 118 HG21 THR 16 HG21 THR 16 0.479 -22.643 9.571 119 HG22 THR 16 HG22 THR 16 0.662 -24.393 9.701 120 HG23 THR 16 HG23 THR 16 0.435 -23.419 11.155 121 H GLN 17 HN GLN 17 -3.317 -25.985 12.514 122 HA GLN 17 HA GLN 17 -2.965 -24.148 14.638 123 HB2 GLN 17 HB2 GLN 17 -4.988 -25.557 14.295 124 HB3 GLN 17 HB1 GLN 17 -4.043 -26.982 14.694 125 HG2 GLN 17 HG2 GLN 17 -5.359 -26.335 16.595 126 HG3 GLN 17 HG1 GLN 17 -3.652 -26.062 16.950 127 HE21 GLN 17 HE21 GLN 17 -4.177 -24.578 18.571 128 HE22 GLN 17 HE22 GLN 17 -4.736 -22.983 18.202 129 H GLY 18 HN GLY 18 -1.657 -27.349 13.940 130 HA2 GLY 18 HA2 GLY 18 0.255 -28.388 14.714 131 HA3 GLY 18 HA1 GLY 18 0.640 -26.931 15.623 132 HA PRO 19 HA PRO 19 -0.639 -29.631 19.027 133 HB2 PRO 19 HB2 PRO 19 0.659 -27.726 20.798 134 HB3 PRO 19 HB1 PRO 19 1.161 -29.369 20.394 135 HG2 PRO 19 HG2 PRO 19 2.545 -27.138 19.619 136 HG3 PRO 19 HG1 PRO 19 2.561 -28.665 18.714 137 HD2 PRO 19 HD2 PRO 19 0.949 -26.179 18.205 138 HD3 PRO 19 HD1 PRO 19 1.821 -27.212 17.048 139 H GLY 20 HN GLY 20 -2.411 -29.504 20.327 140 HA2 GLY 20 HA2 GLY 20 -4.092 -28.597 21.628 141 HA3 GLY 20 HA1 GLY 20 -3.325 -27.024 21.475 142 H SER 21 HN SER 21 -5.349 -29.375 19.757 143 HA SER 21 HA SER 21 -6.257 -27.505 17.783 144 HB2 SER 21 HB2 SER 21 -7.474 -30.149 18.640 145 HB3 SER 21 HB1 SER 21 -7.838 -29.270 17.152 146 HG SER 21 HG SER 21 -6.299 -30.963 16.851 147 H MET 22 HN MET 22 -7.538 -25.839 18.260 148 HA MET 22 HA MET 22 -9.073 -25.708 20.672 149 HB2 MET 22 HB2 MET 22 -8.058 -23.697 19.735 150 HB3 MET 22 HB1 MET 22 -9.013 -23.870 18.268 151 HG2 MET 22 HG2 MET 22 -9.917 -22.149 19.749 152 HG3 MET 22 HG1 MET 22 -11.056 -23.475 19.516 153 HE1 MET 22 HE1 MET 22 -11.370 -21.320 21.861 154 HE2 MET 22 HE2 MET 22 -11.812 -22.384 23.196 155 HE3 MET 22 HE3 MET 22 -12.481 -22.664 21.590 156 H ASP 23 HN ASP 23 -10.854 -26.873 20.883 157 HA ASP 23 HA ASP 23 -12.614 -27.335 18.585 158 HB2 ASP 23 HB2 ASP 23 -11.950 -29.303 19.889 159 HB3 ASP 23 HB1 ASP 23 -12.603 -28.579 21.351 160 H ASP 24 HN ASP 24 -14.176 -25.949 18.289 161 HA ASP 24 HA ASP 24 -15.915 -25.062 20.424 162 HB2 ASP 24 HB2 ASP 24 -13.895 -23.474 20.405 163 HB3 ASP 24 HB1 ASP 24 -14.441 -22.945 18.819 164 H GLU 25 HN GLU 25 -17.481 -23.268 19.232 165 HA GLU 25 HA GLU 25 -18.919 -24.690 17.312 166 HB2 GLU 25 HB2 GLU 25 -18.938 -21.704 17.831 167 HB3 GLU 25 HB1 GLU 25 -20.180 -22.596 16.961 168 HG2 GLU 25 HG2 GLU 25 -19.458 -22.893 19.872 169 HG3 GLU 25 HG1 GLU 25 -20.908 -22.136 19.218 170 H LEU 26 HN LEU 26 -18.968 -24.684 15.099 171 HA LEU 26 HA LEU 26 -16.462 -23.895 13.882 172 HB2 LEU 26 HB2 LEU 26 -18.760 -25.561 12.852 173 HB3 LEU 26 HB1 LEU 26 -17.333 -25.185 11.904 174 HG LEU 26 HG LEU 26 -15.960 -26.313 13.709 175 HD11 LEU 26 HD11 LEU 26 -17.112 -27.906 15.170 176 HD12 LEU 26 HD12 LEU 26 -18.668 -27.291 14.614 177 HD13 LEU 26 HD13 LEU 26 -17.580 -26.243 15.523 178 HD21 LEU 26 HD21 LEU 26 -17.966 -27.971 12.179 179 HD22 LEU 26 HD22 LEU 26 -16.474 -28.578 12.902 180 HD23 LEU 26 HD23 LEU 26 -16.402 -27.396 11.595 181 H TYR 27 HN TYR 27 -16.159 -22.564 12.225 182 HA TYR 27 HA TYR 27 -18.411 -21.047 11.106 183 HB2 TYR 27 HB2 TYR 27 -15.687 -20.117 12.024 184 HB3 TYR 27 HB1 TYR 27 -16.536 -19.249 10.753 185 HD1 TYR 27 HD1 TYR 27 -17.572 -20.713 14.055 186 HD2 TYR 27 HD2 TYR 27 -17.425 -17.284 11.533 187 HE1 TYR 27 HE1 TYR 27 -18.780 -19.413 15.755 188 HE2 TYR 27 HE2 TYR 27 -18.629 -15.977 13.222 189 HH TYR 27 HH TYR 27 -19.187 -17.180 16.421 190 H PHE 28 HN PHE 28 -18.274 -20.631 8.901 191 HA PHE 28 HA PHE 28 -16.140 -22.013 7.416 192 HB2 PHE 28 HB2 PHE 28 -19.025 -21.740 6.989 193 HB3 PHE 28 HB1 PHE 28 -18.107 -21.240 5.572 194 HD1 PHE 28 HD1 PHE 28 -15.851 -23.039 5.550 195 HD2 PHE 28 HD2 PHE 28 -19.918 -23.831 6.513 196 HE1 PHE 28 HE1 PHE 28 -15.553 -25.386 4.906 197 HE2 PHE 28 HE2 PHE 28 -19.603 -26.189 5.866 198 HZ PHE 28 HZ PHE 28 -17.431 -26.957 5.047 199 H VAL 29 HN VAL 29 -15.575 -20.908 5.297 200 HA VAL 29 HA VAL 29 -15.362 -17.995 5.718 201 HB VAL 29 HB VAL 29 -13.921 -19.927 3.892 202 HG11 VAL 29 HG11 VAL 29 -14.248 -17.904 2.623 203 HG12 VAL 29 HG12 VAL 29 -12.562 -18.010 3.129 204 HG13 VAL 29 HG13 VAL 29 -13.666 -16.924 3.975 205 HG21 VAL 29 HG21 VAL 29 -13.158 -19.951 6.207 206 HG22 VAL 29 HG22 VAL 29 -12.917 -18.205 6.157 207 HG23 VAL 29 HG23 VAL 29 -11.926 -19.262 5.149 208 H VAL 30 HN VAL 30 -16.396 -16.594 4.226 209 HA VAL 30 HA VAL 30 -17.908 -17.849 2.057 210 HB VAL 30 HB VAL 30 -19.959 -16.629 2.646 211 HG11 VAL 30 HG11 VAL 30 -20.634 -18.020 4.544 212 HG12 VAL 30 HG12 VAL 30 -18.944 -18.408 4.864 213 HG13 VAL 30 HG13 VAL 30 -19.702 -18.942 3.364 214 HG21 VAL 30 HG21 VAL 30 -18.979 -14.774 3.896 215 HG22 VAL 30 HG22 VAL 30 -18.492 -15.879 5.184 216 HG23 VAL 30 HG23 VAL 30 -20.204 -15.596 4.865 217 H ARG 31 HN ARG 31 -18.867 -16.344 0.561 218 HA ARG 31 HA ARG 31 -18.085 -13.575 0.501 219 HB2 ARG 31 HB2 ARG 31 -16.520 -13.702 -1.382 220 HB3 ARG 31 HB1 ARG 31 -15.906 -14.645 -0.025 221 HG2 ARG 31 HG2 ARG 31 -16.719 -16.698 -1.055 222 HG3 ARG 31 HG1 ARG 31 -17.373 -15.772 -2.404 223 HD2 ARG 31 HD2 ARG 31 -15.083 -15.035 -2.970 224 HD3 ARG 31 HD1 ARG 31 -14.461 -16.036 -1.652 225 HE ARG 31 HE ARG 31 -16.113 -17.517 -3.454 226 HH11 ARG 31 HH11 ARG 31 -12.859 -16.291 -3.046 227 HH12 ARG 31 HH12 ARG 31 -12.152 -17.498 -4.066 228 HH21 ARG 31 HH21 ARG 31 -15.205 -19.080 -4.781 229 HH22 ARG 31 HH22 ARG 31 -13.495 -19.079 -5.078 230 H ASN 32 HN ASN 32 -18.751 -12.547 -1.619 231 HA ASN 32 HA ASN 32 -19.792 -14.227 -3.705 232 HB2 ASN 32 HB2 ASN 32 -22.078 -13.551 -3.698 233 HB3 ASN 32 HB1 ASN 32 -21.725 -14.031 -2.042 234 HD21 ASN 32 HD21 ASN 32 -21.258 -12.312 -0.512 235 HD22 ASN 32 HD22 ASN 32 -22.010 -10.772 -0.714 236 H ASN 33 HN ASN 33 -19.667 -13.224 -5.627 237 HA ASN 33 HA ASN 33 -19.033 -11.712 -7.204 238 HB2 ASN 33 HB2 ASN 33 -21.479 -11.292 -6.697 239 HB3 ASN 33 HB1 ASN 33 -20.964 -9.903 -5.747 240 HD21 ASN 33 HD21 ASN 33 -21.245 -11.252 -8.943 241 HD22 ASN 33 HD22 ASN 33 -20.989 -9.777 -9.808 242 H GLU 34 HN GLU 34 -17.604 -11.321 -4.397 243 HA GLU 34 HA GLU 34 -16.870 -8.487 -4.738 244 HB2 GLU 34 HB2 GLU 34 -16.419 -8.453 -2.317 245 HB3 GLU 34 HB1 GLU 34 -18.082 -8.902 -2.671 246 HG2 GLU 34 HG2 GLU 34 -17.329 -11.318 -2.408 247 HG3 GLU 34 HG1 GLU 34 -15.847 -10.667 -1.712 248 H GLY 35 HN GLY 35 -15.616 -11.724 -4.339 249 HA2 GLY 35 HA2 GLY 35 -13.525 -12.502 -4.999 250 HA3 GLY 35 HA1 GLY 35 -13.012 -10.842 -5.249 251 H GLN 36 HN GLN 36 -13.971 -10.185 -2.455 252 HA GLN 36 HA GLN 36 -11.559 -11.015 -1.060 253 HB2 GLN 36 HB2 GLN 36 -12.349 -9.445 0.722 254 HB3 GLN 36 HB1 GLN 36 -12.113 -8.686 -0.846 255 HG2 GLN 36 HG2 GLN 36 -14.510 -8.721 -1.249 256 HG3 GLN 36 HG1 GLN 36 -14.773 -9.547 0.285 257 HE21 GLN 36 HE21 GLN 36 -16.129 -7.898 1.002 258 HE22 GLN 36 HE22 GLN 36 -15.514 -6.359 1.513 259 H TYR 37 HN TYR 37 -12.027 -11.443 1.445 260 HA TYR 37 HA TYR 37 -13.924 -13.703 1.454 261 HB2 TYR 37 HB2 TYR 37 -11.129 -13.462 2.546 262 HB3 TYR 37 HB1 TYR 37 -12.254 -14.648 3.206 263 HD1 TYR 37 HD2 TYR 37 -13.553 -15.985 1.306 264 HD2 TYR 37 HD1 TYR 37 -9.696 -14.247 0.897 265 HE1 TYR 37 HE2 TYR 37 -13.041 -17.566 -0.523 266 HE2 TYR 37 HE1 TYR 37 -9.168 -15.811 -0.936 267 HH TYR 37 HH TYR 37 -9.910 -18.042 -1.721 268 H SER 38 HN SER 38 -15.088 -14.155 3.280 269 HA SER 38 HA SER 38 -14.471 -12.710 5.720 270 HB2 SER 38 HB2 SER 38 -16.880 -12.197 6.124 271 HB3 SER 38 HB1 SER 38 -16.231 -11.335 4.730 272 HG SER 38 HG SER 38 -17.122 -13.168 3.473 273 H VAL 39 HN VAL 39 -16.204 -13.684 7.483 274 HA VAL 39 HA VAL 39 -16.199 -16.605 7.061 275 HB VAL 39 HB VAL 39 -15.905 -16.850 9.545 276 HG11 VAL 39 HG11 VAL 39 -13.654 -15.467 8.067 277 HG12 VAL 39 HG12 VAL 39 -14.061 -17.184 7.947 278 HG13 VAL 39 HG13 VAL 39 -13.482 -16.510 9.479 279 HG21 VAL 39 HG21 VAL 39 -14.971 -14.955 10.803 280 HG22 VAL 39 HG22 VAL 39 -16.596 -14.594 10.218 281 HG23 VAL 39 HG23 VAL 39 -15.192 -13.912 9.398 282 H TRP 40 HN TRP 40 -17.738 -17.732 8.617 283 HA TRP 40 HA TRP 40 -20.239 -16.295 9.011 284 HB2 TRP 40 HB2 TRP 40 -20.314 -16.722 6.642 285 HB3 TRP 40 HB1 TRP 40 -19.812 -18.388 6.870 286 HD1 TRP 40 HD1 TRP 40 -22.868 -16.253 8.048 287 HE1 TRP 40 HE1 TRP 40 -24.986 -17.692 7.686 288 HE3 TRP 40 HE3 TRP 40 -20.677 -20.508 6.252 289 HZ2 TRP 40 HZ2 TRP 40 -25.629 -20.232 6.737 290 HZ3 TRP 40 HZ3 TRP 40 -22.122 -22.406 5.635 291 HH2 TRP 40 HH2 TRP 40 -24.548 -22.276 5.879 292 H MET 41 HN MET 41 -21.376 -17.180 10.617 293 HA MET 41 HA MET 41 -20.376 -19.371 12.120 294 HB2 MET 41 HB2 MET 41 -21.571 -17.569 13.222 295 HB3 MET 41 HB1 MET 41 -23.006 -17.869 12.252 296 HG2 MET 41 HG2 MET 41 -23.322 -18.728 14.478 297 HG3 MET 41 HG1 MET 41 -23.255 -20.063 13.331 298 HE1 MET 41 HE1 MET 41 -22.891 -21.796 15.300 299 HE2 MET 41 HE2 MET 41 -22.998 -20.473 16.460 300 HE3 MET 41 HE3 MET 41 -21.656 -21.615 16.546 301 H ASP 42 HN ASP 42 -20.774 -21.495 11.894 302 HA ASP 42 HA ASP 42 -22.485 -22.427 9.771 303 HB2 ASP 42 HB2 ASP 42 -20.279 -23.485 10.486 304 HB3 ASP 42 HB1 ASP 42 -21.130 -24.121 11.887 305 H GLY 43 HN GLY 43 -24.182 -24.098 10.164 306 HA2 GLY 43 HA2 GLY 43 -25.947 -24.985 11.461 307 HA3 GLY 43 HA1 GLY 43 -25.540 -23.858 12.748 308 H ARG 44 HN ARG 44 -25.685 -22.580 9.574 309 HA ARG 44 HA ARG 44 -28.527 -21.940 9.685 310 HB2 ARG 44 HB2 ARG 44 -27.988 -19.492 9.202 311 HB3 ARG 44 HB1 ARG 44 -27.717 -20.029 10.856 312 HG2 ARG 44 HG2 ARG 44 -25.323 -20.219 10.402 313 HG3 ARG 44 HG1 ARG 44 -25.596 -19.702 8.739 314 HD2 ARG 44 HD2 ARG 44 -26.180 -18.070 11.212 315 HD3 ARG 44 HD1 ARG 44 -24.788 -17.864 10.151 316 HE ARG 44 HE ARG 44 -27.503 -17.572 9.055 317 HH11 ARG 44 HH11 ARG 44 -24.406 -16.136 9.887 318 HH12 ARG 44 HH12 ARG 44 -24.727 -14.661 9.028 319 HH21 ARG 44 HH21 ARG 44 -27.894 -15.642 7.910 320 HH22 ARG 44 HH22 ARG 44 -26.684 -14.394 7.893 321 H SER 45 HN SER 45 -28.997 -20.501 7.601 322 HA SER 45 HA SER 45 -27.463 -21.665 5.360 323 HB2 SER 45 HB2 SER 45 -30.288 -20.537 5.354 324 HB3 SER 45 HB1 SER 45 -29.470 -21.295 3.987 325 HG SER 45 HG SER 45 -29.356 -23.228 5.308 326 H LEU 46 HN LEU 46 -27.066 -20.298 3.540 327 HA LEU 46 HA LEU 46 -26.443 -17.571 4.436 328 HB2 LEU 46 HB2 LEU 46 -24.703 -19.362 3.648 329 HB3 LEU 46 HB1 LEU 46 -25.232 -18.923 2.046 330 HG LEU 46 HG LEU 46 -24.442 -16.666 2.340 331 HD11 LEU 46 HD11 LEU 46 -23.415 -15.863 4.356 332 HD12 LEU 46 HD12 LEU 46 -23.611 -17.431 5.137 333 HD13 LEU 46 HD13 LEU 46 -25.026 -16.454 4.755 334 HD21 LEU 46 HD21 LEU 46 -22.800 -18.279 1.626 335 HD22 LEU 46 HD22 LEU 46 -22.469 -18.735 3.298 336 HD23 LEU 46 HD23 LEU 46 -22.035 -17.125 2.718 337 HA PRO 47 HA PRO 47 -29.566 -15.755 1.768 338 HB2 PRO 47 HB2 PRO 47 -27.274 -13.838 1.443 339 HB3 PRO 47 HB1 PRO 47 -28.989 -13.499 1.702 340 HG2 PRO 47 HG2 PRO 47 -27.223 -13.367 3.717 341 HG3 PRO 47 HG1 PRO 47 -28.877 -13.955 3.968 342 HD2 PRO 47 HD2 PRO 47 -26.332 -15.462 3.967 343 HD3 PRO 47 HD1 PRO 47 -27.884 -15.878 4.710 344 H ALA 48 HN ALA 48 -30.030 -16.114 -0.305 345 HA ALA 48 HA ALA 48 -28.452 -17.512 -2.070 346 HB1 ALA 48 HB1 ALA 48 -30.690 -15.614 -2.780 347 HB2 ALA 48 HB2 ALA 48 -30.885 -17.294 -2.282 348 HB3 ALA 48 HB3 ALA 48 -30.066 -16.913 -3.798 349 H GLY 49 HN GLY 49 -26.856 -17.049 -3.415 350 HA2 GLY 49 HA2 GLY 49 -25.816 -15.540 -5.033 351 HA3 GLY 49 HA1 GLY 49 -26.199 -14.214 -3.940 352 H TRP 50 HN TRP 50 -25.503 -15.629 -1.531 353 HA TRP 50 HA TRP 50 -22.656 -15.212 -1.540 354 HB2 TRP 50 HB2 TRP 50 -24.550 -16.218 0.610 355 HB3 TRP 50 HB1 TRP 50 -22.829 -15.951 0.863 356 HD1 TRP 50 HD1 TRP 50 -25.896 -13.851 -0.293 357 HE1 TRP 50 HE1 TRP 50 -25.611 -11.467 0.630 358 HE3 TRP 50 HE3 TRP 50 -21.336 -14.400 1.955 359 HZ2 TRP 50 HZ2 TRP 50 -23.706 -10.011 2.118 360 HZ3 TRP 50 HZ3 TRP 50 -20.353 -12.458 3.109 361 HH2 TRP 50 HH2 TRP 50 -21.514 -10.311 3.189 362 H GLU 51 HN GLU 51 -21.099 -16.821 -0.844 363 HA GLU 51 HA GLU 51 -21.906 -19.603 -1.270 364 HB2 GLU 51 HB2 GLU 51 -20.070 -20.050 -2.769 365 HB3 GLU 51 HB1 GLU 51 -21.020 -18.725 -3.429 366 HG2 GLU 51 HG2 GLU 51 -19.359 -17.139 -2.493 367 HG3 GLU 51 HG1 GLU 51 -18.382 -18.512 -1.989 368 H THR 52 HN THR 52 -20.475 -21.118 -0.403 369 HA THR 52 HA THR 52 -18.957 -20.117 1.907 370 HB THR 52 HB THR 52 -19.301 -22.475 2.783 371 HG1 THR 52 HG1 THR 52 -21.301 -23.396 1.630 372 HG21 THR 52 HG21 THR 52 -21.632 -22.106 3.446 373 HG22 THR 52 HG22 THR 52 -21.804 -20.878 2.193 374 HG23 THR 52 HG23 THR 52 -20.707 -20.607 3.548 375 H VAL 53 HN VAL 53 -17.034 -21.272 2.506 376 HA VAL 53 HA VAL 53 -15.634 -22.928 0.646 377 HB VAL 53 HB VAL 53 -13.727 -21.052 0.510 378 HG11 VAL 53 HG11 VAL 53 -14.504 -20.467 -1.749 379 HG12 VAL 53 HG12 VAL 53 -16.088 -21.147 -1.380 380 HG13 VAL 53 HG13 VAL 53 -14.671 -22.195 -1.432 381 HG21 VAL 53 HG21 VAL 53 -14.950 -19.340 1.729 382 HG22 VAL 53 HG22 VAL 53 -16.267 -19.413 0.560 383 HG23 VAL 53 HG23 VAL 53 -14.679 -18.827 0.063 384 H GLY 54 HN GLY 54 -13.479 -23.429 1.349 385 HA2 GLY 54 HA2 GLY 54 -11.675 -23.388 2.844 386 HA3 GLY 54 HA1 GLY 54 -12.656 -22.490 3.990 387 H GLU 55 HN GLU 55 -12.453 -23.707 5.736 388 HA GLU 55 HA GLU 55 -13.675 -26.367 5.724 389 HB2 GLU 55 HB2 GLU 55 -11.365 -26.940 5.652 390 HB3 GLU 55 HB1 GLU 55 -10.924 -25.639 6.745 391 HG2 GLU 55 HG2 GLU 55 -12.177 -26.859 8.551 392 HG3 GLU 55 HG1 GLU 55 -12.348 -28.206 7.425 393 HA PRO 56 HA PRO 56 -15.693 -24.301 9.067 394 HB2 PRO 56 HB2 PRO 56 -16.998 -26.371 10.197 395 HB3 PRO 56 HB1 PRO 56 -17.475 -25.702 8.641 396 HG2 PRO 56 HG2 PRO 56 -15.825 -28.136 9.229 397 HG3 PRO 56 HG1 PRO 56 -17.147 -27.942 8.061 398 HD2 PRO 56 HD2 PRO 56 -14.541 -27.831 7.339 399 HD3 PRO 56 HD1 PRO 56 -15.788 -26.892 6.513 400 H ALA 57 HN ALA 57 -14.518 -23.555 10.678 401 HA ALA 57 HA ALA 57 -13.286 -25.381 12.621 402 HB1 ALA 57 HB1 ALA 57 -11.117 -24.254 12.452 403 HB2 ALA 57 HB2 ALA 57 -11.731 -23.245 11.143 404 HB3 ALA 57 HB3 ALA 57 -11.566 -24.986 10.912 405 H THR 58 HN THR 58 -12.182 -23.944 14.404 406 HA THR 58 HA THR 58 -14.223 -22.357 15.542 407 HB THR 58 HB THR 58 -12.522 -23.605 16.869 408 HG1 THR 58 HG1 THR 58 -13.740 -21.781 17.738 409 HG21 THR 58 HG21 THR 58 -10.664 -21.365 16.039 410 HG22 THR 58 HG22 THR 58 -10.525 -23.057 15.558 411 HG23 THR 58 HG23 THR 58 -10.317 -22.602 17.248 412 H LYS 59 HN LYS 59 -14.057 -20.092 16.171 413 HA LYS 59 HA LYS 59 -13.956 -18.317 14.113 414 HB2 LYS 59 HB2 LYS 59 -14.951 -17.794 16.273 415 HB3 LYS 59 HB1 LYS 59 -13.370 -17.798 17.039 416 HG2 LYS 59 HG2 LYS 59 -14.100 -15.534 16.749 417 HG3 LYS 59 HG1 LYS 59 -12.736 -15.835 15.672 418 HD2 LYS 59 HD2 LYS 59 -14.226 -16.055 13.776 419 HD3 LYS 59 HD1 LYS 59 -15.639 -15.926 14.828 420 HE2 LYS 59 HE2 LYS 59 -13.567 -13.769 14.392 421 HE3 LYS 59 HE1 LYS 59 -15.165 -13.820 13.652 422 HZ1 LYS 59 HZ1 LYS 59 -15.107 -12.364 15.591 423 HZ2 LYS 59 HZ2 LYS 59 -14.640 -13.655 16.573 424 HZ3 LYS 59 HZ3 LYS 59 -16.161 -13.663 15.840 425 H GLN 60 HN GLN 60 -11.325 -18.858 16.449 426 HA GLN 60 HA GLN 60 -9.504 -17.009 15.465 427 HB2 GLN 60 HB2 GLN 60 -9.051 -19.651 16.861 428 HB3 GLN 60 HB1 GLN 60 -7.757 -18.507 16.527 429 HG2 GLN 60 HG2 GLN 60 -8.777 -16.844 17.925 430 HG3 GLN 60 HG1 GLN 60 -10.215 -17.839 18.141 431 HE21 GLN 60 HE21 GLN 60 -10.163 -19.553 19.559 432 HE22 GLN 60 HE22 GLN 60 -8.885 -19.793 20.697 433 H GLN 61 HN GLN 61 -9.911 -20.410 14.512 434 HA GLN 61 HA GLN 61 -7.683 -20.401 12.728 435 HB2 GLN 61 HB2 GLN 61 -10.017 -22.297 13.015 436 HB3 GLN 61 HB1 GLN 61 -8.675 -22.562 11.909 437 HG2 GLN 61 HG2 GLN 61 -7.119 -22.603 13.798 438 HG3 GLN 61 HG1 GLN 61 -8.463 -22.332 14.908 439 HE21 GLN 61 HE21 GLN 61 -6.565 -24.562 14.710 440 HE22 GLN 61 HE22 GLN 61 -7.529 -25.988 14.510 441 H CYS 62 HN CYS 62 -11.095 -19.707 12.406 442 HA CYS 62 HA CYS 62 -11.201 -19.818 9.563 443 HB2 CYS 62 HB2 CYS 62 -12.998 -18.409 11.554 444 HB3 CYS 62 HB1 CYS 62 -13.357 -18.601 9.840 445 HG CYS 62 HG CYS 62 -13.644 -20.790 12.344 446 H LEU 63 HN LEU 63 -10.820 -17.067 11.846 447 HA LEU 63 HA LEU 63 -10.525 -15.158 9.755 448 HB2 LEU 63 HB2 LEU 63 -9.562 -13.667 11.521 449 HB3 LEU 63 HB1 LEU 63 -11.169 -14.295 11.856 450 HG LEU 63 HG LEU 63 -9.829 -16.098 13.256 451 HD11 LEU 63 HD11 LEU 63 -7.893 -13.785 13.206 452 HD12 LEU 63 HD12 LEU 63 -7.600 -15.415 12.597 453 HD13 LEU 63 HD13 LEU 63 -7.833 -15.148 14.325 454 HD21 LEU 63 HD21 LEU 63 -10.094 -14.723 15.240 455 HD22 LEU 63 HD22 LEU 63 -11.465 -14.498 14.156 456 HD23 LEU 63 HD23 LEU 63 -10.204 -13.269 14.249 457 H GLN 64 HN GLN 64 -8.269 -17.159 11.540 458 HA GLN 64 HA GLN 64 -5.869 -16.040 10.609 459 HB2 GLN 64 HB2 GLN 64 -6.002 -17.705 12.436 460 HB3 GLN 64 HB1 GLN 64 -6.478 -18.936 11.274 461 HG2 GLN 64 HG2 GLN 64 -4.286 -18.609 10.124 462 HG3 GLN 64 HG1 GLN 64 -3.819 -17.519 11.430 463 HE21 GLN 64 HE21 GLN 64 -4.456 -20.814 10.534 464 HE22 GLN 64 HE22 GLN 64 -3.780 -21.544 11.946 465 H ARG 65 HN ARG 65 -8.007 -18.524 9.274 466 HA ARG 65 HA ARG 65 -6.402 -19.459 7.229 467 HB2 ARG 65 HB2 ARG 65 -8.536 -20.351 8.281 468 HB3 ARG 65 HB1 ARG 65 -9.406 -19.233 7.241 469 HG2 ARG 65 HG2 ARG 65 -8.630 -20.345 5.289 470 HG3 ARG 65 HG1 ARG 65 -7.533 -21.355 6.244 471 HD2 ARG 65 HD2 ARG 65 -10.544 -21.357 6.311 472 HD3 ARG 65 HD1 ARG 65 -9.472 -22.609 5.729 473 HE ARG 65 HE ARG 65 -9.666 -21.840 8.558 474 HH11 ARG 65 HH11 ARG 65 -9.163 -24.245 6.075 475 HH12 ARG 65 HH12 ARG 65 -9.114 -25.580 7.189 476 HH21 ARG 65 HH21 ARG 65 -9.578 -23.612 10.035 477 HH22 ARG 65 HH22 ARG 65 -9.345 -25.219 9.421 478 H ILE 66 HN ILE 66 -9.009 -17.007 7.113 479 HA ILE 66 HA ILE 66 -8.771 -16.539 4.339 480 HB ILE 66 HB ILE 66 -10.038 -14.403 4.801 481 HG12 ILE 66 HG12 ILE 66 -10.145 -15.509 7.622 482 HG13 ILE 66 HG11 ILE 66 -9.212 -14.096 7.144 483 HG21 ILE 66 HG21 ILE 66 -12.113 -15.588 5.358 484 HG22 ILE 66 HG22 ILE 66 -11.171 -16.991 5.863 485 HG23 ILE 66 HG23 ILE 66 -11.149 -16.473 4.176 486 HD11 ILE 66 HD11 ILE 66 -11.294 -12.983 6.463 487 HD12 ILE 66 HD12 ILE 66 -11.295 -13.437 8.170 488 HD13 ILE 66 HD13 ILE 66 -12.206 -14.398 7.000 489 H GLU 67 HN GLU 67 -7.200 -15.086 7.106 490 HA GLU 67 HA GLU 67 -5.970 -12.943 5.757 491 HB2 GLU 67 HB2 GLU 67 -5.251 -14.465 8.263 492 HB3 GLU 67 HB1 GLU 67 -4.279 -13.123 7.674 493 HG2 GLU 67 HG2 GLU 67 -7.220 -12.898 8.273 494 HG3 GLU 67 HG1 GLU 67 -5.954 -12.541 9.444 495 H GLN 68 HN GLN 68 -5.150 -16.343 6.045 496 HA GLN 68 HA GLN 68 -2.584 -15.984 4.712 497 HB2 GLN 68 HB2 GLN 68 -4.006 -18.571 5.401 498 HB3 GLN 68 HB1 GLN 68 -2.317 -18.385 4.948 499 HG2 GLN 68 HG2 GLN 68 -3.626 -17.377 7.468 500 HG3 GLN 68 HG1 GLN 68 -2.517 -18.738 7.327 501 HE21 GLN 68 HE21 GLN 68 -2.345 -16.286 8.926 502 HE22 GLN 68 HE22 GLN 68 -0.852 -15.538 8.486 503 H LEU 69 HN LEU 69 -5.529 -15.684 3.600 504 HA LEU 69 HA LEU 69 -5.137 -17.231 1.121 505 HB2 LEU 69 HB2 LEU 69 -7.633 -15.794 2.047 506 HB3 LEU 69 HB1 LEU 69 -7.485 -16.802 0.621 507 HG LEU 69 HG LEU 69 -7.441 -17.677 3.505 508 HD11 LEU 69 HD11 LEU 69 -9.369 -19.015 2.871 509 HD12 LEU 69 HD12 LEU 69 -9.265 -18.411 1.218 510 HD13 LEU 69 HD13 LEU 69 -9.654 -17.306 2.537 511 HD21 LEU 69 HD21 LEU 69 -5.718 -18.925 2.349 512 HD22 LEU 69 HD22 LEU 69 -6.848 -19.334 1.058 513 HD23 LEU 69 HD23 LEU 69 -7.103 -19.964 2.687 514 H TRP 70 HN TRP 70 -6.466 -14.098 2.095 515 HA TRP 70 HA TRP 70 -5.771 -12.872 -0.442 516 HB2 TRP 70 HB2 TRP 70 -7.942 -12.439 0.697 517 HB3 TRP 70 HB1 TRP 70 -7.074 -11.692 2.031 518 HD1 TRP 70 HD1 TRP 70 -5.913 -9.270 1.521 519 HE1 TRP 70 HE1 TRP 70 -6.527 -7.455 -0.197 520 HE3 TRP 70 HE3 TRP 70 -8.819 -12.067 -1.627 521 HZ2 TRP 70 HZ2 TRP 70 -8.042 -7.231 -2.561 522 HZ3 TRP 70 HZ3 TRP 70 -9.816 -10.971 -3.594 523 HH2 TRP 70 HH2 TRP 70 -9.434 -8.604 -4.051 524 H THR 71 HN THR 71 -4.976 -12.475 2.968 525 HA THR 71 HA THR 71 -3.181 -10.276 2.462 526 HB THR 71 HB THR 71 -3.788 -11.596 5.118 527 HG1 THR 71 HG1 THR 71 -5.639 -10.471 5.194 528 HG21 THR 71 HG21 THR 71 -3.294 -9.372 6.015 529 HG22 THR 71 HG22 THR 71 -2.988 -8.770 4.388 530 HG23 THR 71 HG23 THR 71 -1.924 -9.986 5.090 531 H ASP 72 HN ASP 72 -2.858 -13.596 2.431 532 HA ASP 72 HA ASP 72 -0.943 -14.414 4.148 533 HB2 ASP 72 HB2 ASP 72 -0.276 -16.122 2.504 534 HB3 ASP 72 HB1 ASP 72 -2.018 -15.930 2.591 535 H MET 73 HN MET 73 -0.335 -12.738 1.086 536 HA MET 73 HA MET 73 2.512 -12.858 1.321 537 HB2 MET 73 HB2 MET 73 1.339 -12.550 -0.855 538 HB3 MET 73 HB1 MET 73 0.841 -10.946 -0.333 539 HG2 MET 73 HG2 MET 73 2.782 -10.887 -1.831 540 HG3 MET 73 HG1 MET 73 3.142 -10.217 -0.241 541 HE1 MET 73 HE1 MET 73 3.550 -13.381 -2.586 542 HE2 MET 73 HE2 MET 73 2.781 -14.028 -1.138 543 HE3 MET 73 HE3 MET 73 4.446 -14.464 -1.523 544 H VAL 74 HN VAL 74 2.690 -12.219 3.514 545 HA VAL 74 HA VAL 74 1.975 -9.542 4.312 546 HB VAL 74 HB VAL 74 1.759 -11.361 5.923 547 HG11 VAL 74 HG11 VAL 74 4.760 -11.676 5.718 548 HG12 VAL 74 HG12 VAL 74 3.555 -12.808 5.103 549 HG13 VAL 74 HG13 VAL 74 3.699 -12.530 6.839 550 HG21 VAL 74 HG21 VAL 74 2.920 -10.358 7.829 551 HG22 VAL 74 HG22 VAL 74 2.230 -9.113 6.786 552 HG23 VAL 74 HG23 VAL 74 3.961 -9.448 6.733 553 HA PRO 75 HA PRO 75 5.969 -7.803 3.186 554 HB2 PRO 75 HB2 PRO 75 5.203 -5.422 4.701 555 HB3 PRO 75 HB1 PRO 75 5.372 -5.617 2.955 556 HG2 PRO 75 HG2 PRO 75 2.972 -5.238 4.186 557 HG3 PRO 75 HG1 PRO 75 3.154 -6.136 2.666 558 HD2 PRO 75 HD2 PRO 75 2.844 -7.180 5.463 559 HD3 PRO 75 HD1 PRO 75 2.108 -7.761 3.951 560 H ALA 76 HN ALA 76 7.173 -5.861 4.885 561 HA ALA 76 HA ALA 76 8.744 -7.380 6.569 562 HB1 ALA 76 HB1 ALA 76 9.493 -5.269 7.558 563 HB2 ALA 76 HB2 ALA 76 8.123 -4.436 6.822 564 HB3 ALA 76 HB3 ALA 76 9.373 -5.149 5.802 565 H SER 77 HN SER 77 5.550 -6.274 7.129 566 HA SER 77 HA SER 77 5.454 -5.982 9.895 567 HB2 SER 77 HB2 SER 77 3.615 -5.381 8.324 568 HB3 SER 77 HB1 SER 77 3.266 -7.097 8.117 569 HG SER 77 HG SER 77 3.262 -6.787 10.679 570 H VAL 78 HN VAL 78 5.986 -8.824 8.056 571 HA VAL 78 HA VAL 78 4.957 -10.771 9.824 572 HB VAL 78 HB VAL 78 5.643 -11.340 7.540 573 HG11 VAL 78 HG11 VAL 78 8.484 -10.908 8.476 574 HG12 VAL 78 HG12 VAL 78 7.604 -9.882 7.343 575 HG13 VAL 78 HG13 VAL 78 7.994 -11.547 6.909 576 HG21 VAL 78 HG21 VAL 78 7.215 -12.847 9.636 577 HG22 VAL 78 HG22 VAL 78 6.829 -13.442 8.022 578 HG23 VAL 78 HG23 VAL 78 5.536 -13.137 9.181 579 H ARG 79 HN ARG 79 8.023 -9.027 9.726 580 HA ARG 79 HA ARG 79 9.337 -10.589 11.710 581 HB2 ARG 79 HB2 ARG 79 9.876 -7.772 10.741 582 HB3 ARG 79 HB1 ARG 79 10.937 -8.665 11.823 583 HG2 ARG 79 HG2 ARG 79 11.214 -10.382 10.043 584 HG3 ARG 79 HG1 ARG 79 10.258 -9.359 8.966 585 HD2 ARG 79 HD2 ARG 79 11.900 -7.546 9.256 586 HD3 ARG 79 HD1 ARG 79 12.857 -8.596 10.303 587 HE ARG 79 HE ARG 79 12.327 -9.597 7.630 588 HH11 ARG 79 HH11 ARG 79 14.529 -7.878 9.734 589 HH12 ARG 79 HH12 ARG 79 15.922 -8.173 8.740 590 HH21 ARG 79 HH21 ARG 79 14.165 -9.974 6.294 591 HH22 ARG 79 HH22 ARG 79 15.713 -9.370 6.784 592 H GLU 80 HN GLU 80 6.984 -8.113 11.844 593 HA GLU 80 HA GLU 80 7.553 -6.996 14.363 594 HB2 GLU 80 HB2 GLU 80 4.861 -7.328 13.020 595 HB3 GLU 80 HB1 GLU 80 5.218 -6.226 14.342 596 HG2 GLU 80 HG2 GLU 80 6.491 -6.100 11.613 597 HG3 GLU 80 HG1 GLU 80 5.103 -5.141 12.117 598 H HIS 81 HN HIS 81 5.870 -9.911 13.380 599 HA HIS 81 HA HIS 81 5.244 -10.515 16.192 600 HB2 HIS 81 HB2 HIS 81 3.413 -10.684 14.487 601 HB3 HIS 81 HB1 HIS 81 4.318 -11.975 13.704 602 HD1 HIS 81 HD1 HIS 81 3.142 -14.098 14.229 603 HD2 HIS 81 HD2 HIS 81 3.344 -11.588 17.539 604 HE1 HIS 81 HE1 HIS 81 2.142 -15.404 16.131 605 HE2 HIS 81 HE2 HIS 81 2.133 -13.811 18.082 606 H LEU 82 HN LEU 82 7.095 -11.636 13.416 607 HA LEU 82 HA LEU 82 8.323 -13.719 15.115 608 HB2 LEU 82 HB2 LEU 82 7.939 -13.763 12.109 609 HB3 LEU 82 HB1 LEU 82 8.842 -14.957 13.020 610 HG LEU 82 HG LEU 82 6.787 -15.983 12.588 611 HD11 LEU 82 HD11 LEU 82 6.477 -14.788 15.336 612 HD12 LEU 82 HD12 LEU 82 7.477 -16.183 14.931 613 HD13 LEU 82 HD13 LEU 82 5.725 -16.271 14.744 614 HD21 LEU 82 HD21 LEU 82 5.579 -14.013 11.781 615 HD22 LEU 82 HD22 LEU 82 5.364 -13.458 13.440 616 HD23 LEU 82 HD23 LEU 82 4.600 -14.955 12.906 617 H ASN 83 HN ASN 83 10.173 -12.736 15.804 618 HA ASN 83 HA ASN 83 11.890 -11.423 13.820 619 HB2 ASN 83 HB2 ASN 83 11.553 -10.279 16.001 620 HB3 ASN 83 HB1 ASN 83 12.276 -11.658 16.823 621 HD21 ASN 83 HD21 ASN 83 14.484 -11.913 16.799 622 HD22 ASN 83 HD22 ASN 83 15.576 -10.732 16.150 623 H GLN 84 HN GLN 84 14.092 -12.100 13.528 624 HA GLN 84 HA GLN 84 14.260 -14.864 13.079 625 HB2 GLN 84 HB2 GLN 84 15.496 -13.053 11.828 626 HB3 GLN 84 HB1 GLN 84 16.597 -12.945 13.195 627 HG2 GLN 84 HG2 GLN 84 17.538 -14.304 11.414 628 HG3 GLN 84 HG1 GLN 84 17.260 -15.272 12.861 629 HE21 GLN 84 HE21 GLN 84 16.232 -14.625 9.602 630 HE22 GLN 84 HE22 GLN 84 15.268 -16.044 9.408 631 H HIS 85 HN HIS 85 15.829 -12.841 15.545 632 HA HIS 85 HA HIS 85 16.740 -15.228 16.978 633 HB2 HIS 85 HB2 HIS 85 18.258 -13.249 16.714 634 HB3 HIS 85 HB1 HIS 85 17.138 -12.301 17.685 635 HD1 HIS 85 HD1 HIS 85 17.059 -12.807 20.241 636 HD2 HIS 85 HD2 HIS 85 19.902 -14.999 18.136 637 HE1 HIS 85 HE1 HIS 85 18.573 -13.808 21.986 638 HE2 HIS 85 HE2 HIS 85 20.240 -15.188 20.692 639 H SER 86 HN SER 86 16.076 -15.689 19.121 640 HA SER 86 HA SER 86 13.347 -15.464 19.602 641 HB2 SER 86 HB2 SER 86 14.839 -17.227 20.560 642 HB3 SER 86 HB1 SER 86 15.493 -16.028 21.675 643 HG SER 86 HG SER 86 12.992 -17.276 21.642 644 H GLY 87 HN GLY 87 12.136 -13.866 20.322 645 HA2 GLY 87 HA2 GLY 87 13.037 -12.074 22.409 646 HA3 GLY 87 HA1 GLY 87 12.781 -11.304 20.846 647 HA PRO 88 HA PRO 88 8.666 -12.106 23.116 648 HB2 PRO 88 HB2 PRO 88 8.432 -10.168 24.948 649 HB3 PRO 88 HB1 PRO 88 9.351 -11.640 25.290 650 HG2 PRO 88 HG2 PRO 88 10.350 -8.921 24.511 651 HG3 PRO 88 HG1 PRO 88 10.984 -10.037 25.737 652 HD2 PRO 88 HD2 PRO 88 12.016 -9.764 23.185 653 HD3 PRO 88 HD1 PRO 88 12.210 -11.211 24.195 654 H GLY 89 HN GLY 89 9.944 -10.049 21.049 655 HA2 GLY 89 HA2 GLY 89 8.119 -7.832 21.080 656 HA3 GLY 89 HA1 GLY 89 9.264 -8.233 19.807 657 H ILE 90 HN ILE 90 6.180 -9.313 21.203 658 HA ILE 90 HA ILE 90 5.401 -10.415 18.608 659 HB ILE 90 HB ILE 90 3.335 -11.192 19.869 660 HG12 ILE 90 HG12 ILE 90 5.010 -10.358 22.263 661 HG13 ILE 90 HG11 ILE 90 3.486 -9.627 21.771 662 HG21 ILE 90 HG21 ILE 90 4.524 -13.089 20.899 663 HG22 ILE 90 HG22 ILE 90 6.042 -12.203 20.755 664 HG23 ILE 90 HG23 ILE 90 5.163 -12.690 19.305 665 HD11 ILE 90 HD11 ILE 90 3.884 -12.445 22.753 666 HD12 ILE 90 HD12 ILE 90 2.352 -11.764 22.203 667 HD13 ILE 90 HD13 ILE 90 3.144 -11.110 23.636 668 H ASP 91 HN ASP 91 5.015 -8.663 17.366 669 HA ASP 91 HA ASP 91 2.921 -6.780 18.240 670 HB2 ASP 91 HB2 ASP 91 5.127 -5.742 17.826 671 HB3 ASP 91 HB1 ASP 91 5.116 -6.373 16.186 672 H TYR 92 HN TYR 92 1.774 -5.790 16.217 673 HA TYR 92 HA TYR 92 0.097 -7.792 15.253 674 HB2 TYR 92 HB2 TYR 92 0.476 -4.996 14.151 675 HB3 TYR 92 HB1 TYR 92 -0.913 -6.038 13.858 676 HD1 TYR 92 HD2 TYR 92 -2.561 -6.445 15.613 677 HD2 TYR 92 HD1 TYR 92 0.769 -3.882 16.295 678 HE1 TYR 92 HE2 TYR 92 -3.664 -5.555 17.621 679 HE2 TYR 92 HE1 TYR 92 -0.322 -2.985 18.305 680 HH TYR 92 HH TYR 92 -2.519 -2.761 19.262 681 H ALA 93 HN ALA 93 0.002 -9.005 13.493 682 HA ALA 93 HA ALA 93 1.719 -8.443 11.174 683 HB1 ALA 93 HB1 ALA 93 2.897 -10.108 12.555 684 HB2 ALA 93 HB2 ALA 93 2.363 -10.801 11.023 685 HB3 ALA 93 HB3 ALA 93 1.474 -11.149 12.507 686 H VAL 94 HN VAL 94 0.913 -10.889 9.833 687 HA VAL 94 HA VAL 94 -1.678 -10.137 8.917 688 HB VAL 94 HB VAL 94 -0.141 -11.159 7.350 689 HG11 VAL 94 HG11 VAL 94 -0.265 -13.641 9.065 690 HG12 VAL 94 HG12 VAL 94 1.133 -12.591 8.840 691 HG13 VAL 94 HG13 VAL 94 0.507 -13.526 7.480 692 HG21 VAL 94 HG21 VAL 94 -2.494 -12.974 7.886 693 HG22 VAL 94 HG22 VAL 94 -1.586 -12.889 6.376 694 HG23 VAL 94 HG23 VAL 94 -2.513 -11.494 6.928 695 H ARG 95 HN ARG 95 -3.590 -10.700 9.677 696 HA ARG 95 HA ARG 95 -5.195 -11.381 11.065 697 HB2 ARG 95 HB2 ARG 95 -5.535 -13.598 11.533 698 HB3 ARG 95 HB1 ARG 95 -4.349 -13.732 10.245 699 HG2 ARG 95 HG2 ARG 95 -3.320 -15.158 11.630 700 HG3 ARG 95 HG1 ARG 95 -2.722 -13.713 12.435 701 HD2 ARG 95 HD2 ARG 95 -5.230 -15.211 13.204 702 HD3 ARG 95 HD1 ARG 95 -3.666 -15.394 13.995 703 HE ARG 95 HE ARG 95 -5.185 -12.853 13.969 704 HH11 ARG 95 HH11 ARG 95 -3.227 -15.234 15.617 705 HH12 ARG 95 HH12 ARG 95 -3.162 -14.345 17.101 706 HH21 ARG 95 HH21 ARG 95 -5.124 -11.680 15.928 707 HH22 ARG 95 HH22 ARG 95 -4.252 -12.327 17.280 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 16.582 -20.642 1.654 2 H2 MET 1 HT2 MET 1 18.226 -20.587 1.266 3 H3 MET 1 HT3 MET 1 17.641 -21.780 2.309 4 HA MET 1 HA MET 1 16.883 -21.508 -0.528 5 HB2 MET 1 HB2 MET 1 18.774 -23.463 0.818 6 HB3 MET 1 HB1 MET 1 18.229 -23.580 -0.850 7 HG2 MET 1 HG2 MET 1 19.302 -21.432 -1.347 8 HG3 MET 1 HG1 MET 1 19.861 -21.334 0.324 9 HE1 MET 1 HE1 MET 1 23.160 -22.073 -1.684 10 HE2 MET 1 HE2 MET 1 22.365 -20.979 -0.553 11 HE3 MET 1 HE3 MET 1 21.798 -21.090 -2.219 12 H ALA 2 HN ALA 2 15.376 -22.981 -1.234 13 HA ALA 2 HA ALA 2 14.437 -25.151 0.393 14 HB1 ALA 2 HB1 ALA 2 12.162 -24.314 0.761 15 HB2 ALA 2 HB2 ALA 2 12.610 -22.763 0.049 16 HB3 ALA 2 HB3 ALA 2 13.348 -23.284 1.564 17 H HIS 3 HN HIS 3 13.441 -22.874 -2.123 18 HA HIS 3 HA HIS 3 12.306 -23.135 -4.070 19 HB2 HIS 3 HB2 HIS 3 13.570 -24.363 -5.763 20 HB3 HIS 3 HB1 HIS 3 14.634 -23.415 -4.736 21 HD1 HIS 3 HD1 HIS 3 13.723 -26.949 -5.577 22 HD2 HIS 3 HD2 HIS 3 16.468 -24.894 -3.237 23 HE1 HIS 3 HE1 HIS 3 15.437 -28.653 -4.900 24 HE2 HIS 3 HE2 HIS 3 17.145 -27.362 -3.572 25 H HIS 4 HN HIS 4 10.302 -23.926 -3.436 26 HA HIS 4 HA HIS 4 9.744 -26.543 -4.556 27 HB2 HIS 4 HB2 HIS 4 8.581 -27.442 -2.645 28 HB3 HIS 4 HB1 HIS 4 10.213 -27.018 -2.151 29 HD1 HIS 4 HD1 HIS 4 6.631 -25.975 -1.716 30 HD2 HIS 4 HD2 HIS 4 10.375 -25.110 -0.136 31 HE1 HIS 4 HE1 HIS 4 6.191 -24.612 0.347 32 HE2 HIS 4 HE2 HIS 4 8.454 -24.324 1.407 33 H HIS 5 HN HIS 5 9.196 -24.001 -5.473 34 HA HIS 5 HA HIS 5 6.582 -23.109 -4.864 35 HB2 HIS 5 HB2 HIS 5 6.721 -21.839 -6.998 36 HB3 HIS 5 HB1 HIS 5 8.130 -21.605 -5.973 37 HD1 HIS 5 HD1 HIS 5 7.211 -22.369 -9.384 38 HD2 HIS 5 HD2 HIS 5 10.414 -23.282 -6.897 39 HE1 HIS 5 HE1 HIS 5 9.078 -23.063 -10.917 40 HE2 HIS 5 HE2 HIS 5 10.974 -23.704 -9.387 41 H HIS 6 HN HIS 6 5.479 -25.161 -4.781 42 HA HIS 6 HA HIS 6 4.135 -25.722 -7.295 43 HB2 HIS 6 HB2 HIS 6 6.140 -27.311 -7.080 44 HB3 HIS 6 HB1 HIS 6 5.307 -28.022 -5.703 45 HD1 HIS 6 HD1 HIS 6 5.287 -27.881 -9.417 46 HD2 HIS 6 HD2 HIS 6 3.002 -29.542 -6.372 47 HE1 HIS 6 HE1 HIS 6 3.748 -29.514 -10.543 48 HE2 HIS 6 HE2 HIS 6 2.291 -30.412 -8.696 49 H HIS 7 HN HIS 7 3.267 -24.370 -5.043 50 HA HIS 7 HA HIS 7 1.923 -25.995 -3.150 51 HB2 HIS 7 HB2 HIS 7 0.777 -23.979 -2.434 52 HB3 HIS 7 HB1 HIS 7 2.460 -23.587 -2.756 53 HD1 HIS 7 HD1 HIS 7 2.936 -21.968 -4.734 54 HD2 HIS 7 HD2 HIS 7 -1.098 -22.745 -4.108 55 HE1 HIS 7 HE1 HIS 7 1.701 -20.250 -6.080 56 HE2 HIS 7 HE2 HIS 7 -0.726 -20.616 -5.525 57 H HIS 8 HN HIS 8 0.180 -27.236 -3.444 58 HA HIS 8 HA HIS 8 -1.562 -26.639 -5.744 59 HB2 HIS 8 HB2 HIS 8 -1.696 -29.083 -6.198 60 HB3 HIS 8 HB1 HIS 8 -0.083 -28.419 -6.430 61 HD1 HIS 8 HD1 HIS 8 1.722 -29.049 -4.589 62 HD2 HIS 8 HD2 HIS 8 -1.887 -31.093 -4.319 63 HE1 HIS 8 HE1 HIS 8 2.160 -31.000 -3.067 64 HE2 HIS 8 HE2 HIS 8 0.025 -32.335 -3.111 65 H MET 9 HN MET 9 -3.209 -25.814 -4.565 66 HA MET 9 HA MET 9 -4.652 -27.732 -2.844 67 HB2 MET 9 HB2 MET 9 -4.030 -25.401 -1.924 68 HB3 MET 9 HB1 MET 9 -5.219 -24.764 -3.052 69 HG2 MET 9 HG2 MET 9 -6.191 -24.995 -0.854 70 HG3 MET 9 HG1 MET 9 -6.956 -26.129 -1.969 71 HE1 MET 9 HE1 MET 9 -6.883 -27.971 1.553 72 HE2 MET 9 HE2 MET 9 -7.928 -27.322 0.290 73 HE3 MET 9 HE3 MET 9 -7.001 -26.227 1.318 74 H GLY 10 HN GLY 10 -5.342 -25.018 -5.030 75 HA2 GLY 10 HA2 GLY 10 -6.647 -24.815 -6.887 76 HA3 GLY 10 HA1 GLY 10 -6.246 -26.492 -7.188 77 H THR 11 HN THR 11 -7.650 -28.123 -6.365 78 HA THR 11 HA THR 11 -10.195 -27.860 -7.260 79 HB THR 11 HB THR 11 -9.451 -29.749 -5.017 80 HG1 THR 11 HG1 THR 11 -8.487 -29.533 -7.599 81 HG21 THR 11 HG21 THR 11 -11.361 -30.036 -7.349 82 HG22 THR 11 HG22 THR 11 -11.825 -29.762 -5.669 83 HG23 THR 11 HG23 THR 11 -11.025 -31.265 -6.132 84 H LEU 12 HN LEU 12 -9.590 -28.215 -3.744 85 HA LEU 12 HA LEU 12 -11.378 -26.159 -2.962 86 HB2 LEU 12 HB2 LEU 12 -12.959 -27.864 -3.966 87 HB3 LEU 12 HB1 LEU 12 -12.455 -28.983 -2.717 88 HG LEU 12 HG LEU 12 -13.376 -27.471 -0.993 89 HD11 LEU 12 HD11 LEU 12 -14.775 -25.573 -1.645 90 HD12 LEU 12 HD12 LEU 12 -14.326 -25.818 -3.332 91 HD13 LEU 12 HD13 LEU 12 -13.102 -25.345 -2.155 92 HD21 LEU 12 HD21 LEU 12 -15.333 -28.197 -3.177 93 HD22 LEU 12 HD22 LEU 12 -15.747 -27.834 -1.501 94 HD23 LEU 12 HD23 LEU 12 -14.775 -29.257 -1.879 95 H GLU 13 HN GLU 13 -12.012 -26.584 -0.527 96 HA GLU 13 HA GLU 13 -9.717 -26.874 1.006 97 HB2 GLU 13 HB2 GLU 13 -11.791 -25.724 1.736 98 HB3 GLU 13 HB1 GLU 13 -12.594 -27.281 1.874 99 HG2 GLU 13 HG2 GLU 13 -11.865 -26.405 4.040 100 HG3 GLU 13 HG1 GLU 13 -11.093 -27.937 3.653 101 H ALA 14 HN ALA 14 -8.884 -28.541 2.263 102 HA ALA 14 HA ALA 14 -9.888 -31.238 1.633 103 HB1 ALA 14 HB1 ALA 14 -6.994 -30.399 1.753 104 HB2 ALA 14 HB2 ALA 14 -7.908 -30.719 0.279 105 HB3 ALA 14 HB3 ALA 14 -7.596 -32.026 1.421 106 H GLN 15 HN GLN 15 -9.712 -29.191 4.042 107 HA GLN 15 HA GLN 15 -8.730 -31.153 6.005 108 HB2 GLN 15 HB2 GLN 15 -9.091 -28.164 6.273 109 HB3 GLN 15 HB1 GLN 15 -8.519 -29.236 7.546 110 HG2 GLN 15 HG2 GLN 15 -6.652 -29.892 5.955 111 HG3 GLN 15 HG1 GLN 15 -7.161 -28.531 4.964 112 HE21 GLN 15 HE21 GLN 15 -5.819 -29.460 8.056 113 HE22 GLN 15 HE22 GLN 15 -5.170 -27.910 8.455 114 H THR 16 HN THR 16 -10.338 -32.358 6.681 115 HA THR 16 HA THR 16 -12.858 -31.058 7.517 116 HB THR 16 HB THR 16 -13.156 -32.676 5.661 117 HG1 THR 16 HG1 THR 16 -14.328 -32.945 8.158 118 HG21 THR 16 HG21 THR 16 -11.303 -34.196 6.125 119 HG22 THR 16 HG22 THR 16 -12.825 -35.087 6.078 120 HG23 THR 16 HG23 THR 16 -12.078 -34.706 7.627 121 H GLN 17 HN GLN 17 -10.106 -31.826 8.787 122 HA GLN 17 HA GLN 17 -11.110 -33.339 11.105 123 HB2 GLN 17 HB2 GLN 17 -8.267 -32.813 10.187 124 HB3 GLN 17 HB1 GLN 17 -8.711 -33.731 11.620 125 HG2 GLN 17 HG2 GLN 17 -9.665 -35.473 10.326 126 HG3 GLN 17 HG1 GLN 17 -9.596 -34.506 8.850 127 HE21 GLN 17 HE21 GLN 17 -7.752 -36.379 11.141 128 HE22 GLN 17 HE22 GLN 17 -6.331 -36.536 10.168 129 H GLY 18 HN GLY 18 -12.083 -31.662 12.227 130 HA2 GLY 18 HA2 GLY 18 -10.230 -29.633 13.307 131 HA3 GLY 18 HA1 GLY 18 -11.810 -29.164 12.694 132 HA PRO 19 HA PRO 19 -12.120 -31.163 17.103 133 HB2 PRO 19 HB2 PRO 19 -10.715 -29.586 18.814 134 HB3 PRO 19 HB1 PRO 19 -10.018 -31.024 18.058 135 HG2 PRO 19 HG2 PRO 19 -9.723 -28.143 17.278 136 HG3 PRO 19 HG1 PRO 19 -8.483 -29.409 17.369 137 HD2 PRO 19 HD2 PRO 19 -9.627 -28.647 15.025 138 HD3 PRO 19 HD1 PRO 19 -9.067 -30.305 15.320 139 H GLY 20 HN GLY 20 -13.651 -30.340 18.564 140 HA2 GLY 20 HA2 GLY 20 -14.963 -27.913 17.652 141 HA3 GLY 20 HA1 GLY 20 -15.586 -29.065 18.825 142 H SER 21 HN SER 21 -15.015 -25.996 18.698 143 HA SER 21 HA SER 21 -13.275 -25.484 20.895 144 HB2 SER 21 HB2 SER 21 -13.876 -23.804 19.134 145 HB3 SER 21 HB1 SER 21 -15.507 -23.742 19.798 146 HG SER 21 HG SER 21 -13.513 -22.272 20.514 147 H MET 22 HN MET 22 -14.237 -24.301 22.920 148 HA MET 22 HA MET 22 -16.328 -26.077 23.951 149 HB2 MET 22 HB2 MET 22 -15.547 -25.552 26.179 150 HB3 MET 22 HB1 MET 22 -14.176 -26.024 25.189 151 HG2 MET 22 HG2 MET 22 -13.513 -23.711 24.934 152 HG3 MET 22 HG1 MET 22 -14.937 -23.179 25.825 153 HE1 MET 22 HE1 MET 22 -15.342 -23.771 28.430 154 HE2 MET 22 HE2 MET 22 -14.186 -24.687 29.397 155 HE3 MET 22 HE3 MET 22 -15.058 -25.478 28.084 156 H ASP 23 HN ASP 23 -16.333 -23.344 22.476 157 HA ASP 23 HA ASP 23 -18.702 -22.339 23.798 158 HB2 ASP 23 HB2 ASP 23 -16.210 -20.656 23.545 159 HB3 ASP 23 HB1 ASP 23 -17.808 -19.954 23.753 160 H ASP 24 HN ASP 24 -16.347 -21.193 21.429 161 HA ASP 24 HA ASP 24 -18.378 -20.085 19.758 162 HB2 ASP 24 HB2 ASP 24 -16.098 -19.167 20.032 163 HB3 ASP 24 HB1 ASP 24 -15.450 -20.576 19.203 164 H GLU 25 HN GLU 25 -19.331 -20.914 17.962 165 HA GLU 25 HA GLU 25 -19.233 -23.731 17.529 166 HB2 GLU 25 HB2 GLU 25 -20.609 -21.606 15.867 167 HB3 GLU 25 HB1 GLU 25 -20.971 -23.325 15.878 168 HG2 GLU 25 HG2 GLU 25 -22.656 -22.493 17.179 169 HG3 GLU 25 HG1 GLU 25 -21.486 -22.938 18.404 170 H LEU 26 HN LEU 26 -19.442 -24.237 14.938 171 HA LEU 26 HA LEU 26 -16.813 -23.677 13.851 172 HB2 LEU 26 HB2 LEU 26 -19.053 -25.516 13.070 173 HB3 LEU 26 HB1 LEU 26 -17.813 -25.121 11.897 174 HG LEU 26 HG LEU 26 -16.101 -25.979 13.514 175 HD11 LEU 26 HD11 LEU 26 -18.514 -26.994 15.013 176 HD12 LEU 26 HD12 LEU 26 -17.406 -25.741 15.569 177 HD13 LEU 26 HD13 LEU 26 -16.832 -27.394 15.359 178 HD21 LEU 26 HD21 LEU 26 -16.584 -28.352 13.080 179 HD22 LEU 26 HD22 LEU 26 -16.840 -27.339 11.661 180 HD23 LEU 26 HD23 LEU 26 -18.224 -27.917 12.593 181 H TYR 27 HN TYR 27 -16.389 -22.540 12.025 182 HA TYR 27 HA TYR 27 -18.573 -20.959 10.834 183 HB2 TYR 27 HB2 TYR 27 -15.777 -20.099 11.631 184 HB3 TYR 27 HB1 TYR 27 -16.768 -19.174 10.512 185 HD1 TYR 27 HD1 TYR 27 -17.531 -20.838 13.788 186 HD2 TYR 27 HD2 TYR 27 -17.453 -17.234 11.530 187 HE1 TYR 27 HE1 TYR 27 -18.535 -19.644 15.679 188 HE2 TYR 27 HE2 TYR 27 -18.456 -16.024 13.409 189 HH TYR 27 HH TYR 27 -18.788 -17.493 16.548 190 H PHE 28 HN PHE 28 -18.454 -20.626 8.631 191 HA PHE 28 HA PHE 28 -16.177 -21.832 7.196 192 HB2 PHE 28 HB2 PHE 28 -19.061 -21.485 6.466 193 HB3 PHE 28 HB1 PHE 28 -17.876 -21.342 5.175 194 HD1 PHE 28 HD1 PHE 28 -16.335 -23.286 4.724 195 HD2 PHE 28 HD2 PHE 28 -19.691 -23.553 7.269 196 HE1 PHE 28 HE1 PHE 28 -16.279 -25.735 4.541 197 HE2 PHE 28 HE2 PHE 28 -19.618 -26.025 7.108 198 HZ PHE 28 HZ PHE 28 -17.931 -27.103 5.717 199 H VAL 29 HN VAL 29 -15.304 -20.652 5.467 200 HA VAL 29 HA VAL 29 -15.443 -17.759 5.740 201 HB VAL 29 HB VAL 29 -13.883 -19.419 3.741 202 HG11 VAL 29 HG11 VAL 29 -13.450 -16.581 4.665 203 HG12 VAL 29 HG12 VAL 29 -14.216 -17.046 3.147 204 HG13 VAL 29 HG13 VAL 29 -12.524 -17.445 3.436 205 HG21 VAL 29 HG21 VAL 29 -13.255 -20.039 6.029 206 HG22 VAL 29 HG22 VAL 29 -12.949 -18.342 6.408 207 HG23 VAL 29 HG23 VAL 29 -11.949 -19.174 5.216 208 H VAL 30 HN VAL 30 -16.786 -16.536 4.456 209 HA VAL 30 HA VAL 30 -18.169 -17.934 2.249 210 HB VAL 30 HB VAL 30 -20.269 -16.920 2.882 211 HG11 VAL 30 HG11 VAL 30 -20.661 -18.055 5.044 212 HG12 VAL 30 HG12 VAL 30 -18.919 -18.263 5.228 213 HG13 VAL 30 HG13 VAL 30 -19.768 -19.058 3.900 214 HG21 VAL 30 HG21 VAL 30 -20.503 -15.615 4.972 215 HG22 VAL 30 HG22 VAL 30 -19.478 -14.809 3.784 216 HG23 VAL 30 HG23 VAL 30 -18.749 -15.636 5.162 217 H ARG 31 HN ARG 31 -19.236 -16.484 0.697 218 HA ARG 31 HA ARG 31 -18.562 -13.680 0.658 219 HB2 ARG 31 HB2 ARG 31 -17.077 -13.747 -1.327 220 HB3 ARG 31 HB1 ARG 31 -16.352 -14.535 0.070 221 HG2 ARG 31 HG2 ARG 31 -16.971 -16.723 -0.833 222 HG3 ARG 31 HG1 ARG 31 -17.717 -15.942 -2.225 223 HD2 ARG 31 HD2 ARG 31 -14.808 -15.648 -1.502 224 HD3 ARG 31 HD1 ARG 31 -15.418 -16.870 -2.612 225 HE ARG 31 HE ARG 31 -15.201 -14.007 -3.094 226 HH11 ARG 31 HH11 ARG 31 -16.501 -17.079 -4.171 227 HH12 ARG 31 HH12 ARG 31 -16.561 -16.614 -5.842 228 HH21 ARG 31 HH21 ARG 31 -15.270 -13.411 -5.338 229 HH22 ARG 31 HH22 ARG 31 -15.880 -14.544 -6.499 230 H ASN 32 HN ASN 32 -19.250 -12.609 -1.368 231 HA ASN 32 HA ASN 32 -20.294 -14.136 -3.530 232 HB2 ASN 32 HB2 ASN 32 -22.619 -13.499 -3.464 233 HB3 ASN 32 HB1 ASN 32 -22.228 -14.286 -1.943 234 HD21 ASN 32 HD21 ASN 32 -20.920 -12.017 -0.729 235 HD22 ASN 32 HD22 ASN 32 -22.151 -10.860 -0.380 236 H ASN 33 HN ASN 33 -20.305 -12.972 -5.362 237 HA ASN 33 HA ASN 33 -19.875 -11.282 -6.826 238 HB2 ASN 33 HB2 ASN 33 -22.265 -10.960 -6.162 239 HB3 ASN 33 HB1 ASN 33 -21.739 -9.765 -4.983 240 HD21 ASN 33 HD21 ASN 33 -22.911 -8.123 -5.948 241 HD22 ASN 33 HD22 ASN 33 -22.456 -7.415 -7.458 242 H GLU 34 HN GLU 34 -18.189 -11.224 -4.182 243 HA GLU 34 HA GLU 34 -17.469 -8.361 -4.221 244 HB2 GLU 34 HB2 GLU 34 -16.642 -8.721 -1.905 245 HB3 GLU 34 HB1 GLU 34 -18.364 -9.019 -2.086 246 HG2 GLU 34 HG2 GLU 34 -17.795 -11.473 -2.303 247 HG3 GLU 34 HG1 GLU 34 -16.163 -11.045 -1.788 248 H GLY 35 HN GLY 35 -16.288 -11.529 -4.795 249 HA2 GLY 35 HA2 GLY 35 -14.258 -12.242 -5.630 250 HA3 GLY 35 HA1 GLY 35 -13.724 -10.569 -5.653 251 H GLN 36 HN GLN 36 -14.444 -10.420 -2.699 252 HA GLN 36 HA GLN 36 -11.965 -11.621 -1.692 253 HB2 GLN 36 HB2 GLN 36 -12.234 -9.954 0.177 254 HB3 GLN 36 HB1 GLN 36 -11.980 -9.249 -1.413 255 HG2 GLN 36 HG2 GLN 36 -14.586 -9.115 -1.470 256 HG3 GLN 36 HG1 GLN 36 -14.446 -9.267 0.279 257 HE21 GLN 36 HE21 GLN 36 -13.784 -7.279 -2.491 258 HE22 GLN 36 HE22 GLN 36 -13.407 -5.832 -1.624 259 H TYR 37 HN TYR 37 -12.210 -12.045 0.843 260 HA TYR 37 HA TYR 37 -14.468 -13.931 1.016 261 HB2 TYR 37 HB2 TYR 37 -11.617 -14.098 1.892 262 HB3 TYR 37 HB1 TYR 37 -12.830 -14.992 2.801 263 HD1 TYR 37 HD2 TYR 37 -14.425 -16.498 1.405 264 HD2 TYR 37 HD1 TYR 37 -10.648 -15.113 -0.004 265 HE1 TYR 37 HE2 TYR 37 -14.364 -18.337 -0.223 266 HE2 TYR 37 HE1 TYR 37 -10.580 -16.954 -1.636 267 HH TYR 37 HH TYR 37 -13.300 -18.896 -2.345 268 H SER 38 HN SER 38 -15.356 -14.405 3.058 269 HA SER 38 HA SER 38 -14.963 -12.506 5.237 270 HB2 SER 38 HB2 SER 38 -17.695 -13.199 4.102 271 HB3 SER 38 HB1 SER 38 -17.379 -12.143 5.482 272 HG SER 38 HG SER 38 -16.499 -11.682 2.815 273 H VAL 39 HN VAL 39 -16.595 -13.419 7.136 274 HA VAL 39 HA VAL 39 -16.437 -16.367 7.060 275 HB VAL 39 HB VAL 39 -15.939 -16.359 9.509 276 HG11 VAL 39 HG11 VAL 39 -14.172 -16.710 7.817 277 HG12 VAL 39 HG12 VAL 39 -13.553 -15.891 9.254 278 HG13 VAL 39 HG13 VAL 39 -13.872 -14.970 7.785 279 HG21 VAL 39 HG21 VAL 39 -16.737 -14.118 10.051 280 HG22 VAL 39 HG22 VAL 39 -15.457 -13.404 9.066 281 HG23 VAL 39 HG23 VAL 39 -15.051 -14.305 10.525 282 H TRP 40 HN TRP 40 -17.964 -17.499 8.362 283 HA TRP 40 HA TRP 40 -20.280 -16.053 9.369 284 HB2 TRP 40 HB2 TRP 40 -20.685 -16.137 6.949 285 HB3 TRP 40 HB1 TRP 40 -20.417 -17.872 6.950 286 HD1 TRP 40 HD1 TRP 40 -22.457 -19.409 7.519 287 HE1 TRP 40 HE1 TRP 40 -24.950 -18.960 7.981 288 HE3 TRP 40 HE3 TRP 40 -22.251 -14.348 8.119 289 HZ2 TRP 40 HZ2 TRP 40 -26.604 -16.745 8.542 290 HZ3 TRP 40 HZ3 TRP 40 -24.333 -13.131 8.631 291 HH2 TRP 40 HH2 TRP 40 -26.464 -14.306 8.833 292 H MET 41 HN MET 41 -21.577 -17.337 10.700 293 HA MET 41 HA MET 41 -20.322 -19.632 11.852 294 HB2 MET 41 HB2 MET 41 -21.677 -18.049 13.174 295 HB3 MET 41 HB1 MET 41 -23.110 -18.514 12.270 296 HG2 MET 41 HG2 MET 41 -22.829 -20.833 13.142 297 HG3 MET 41 HG1 MET 41 -21.511 -20.243 14.150 298 HE1 MET 41 HE1 MET 41 -21.824 -18.372 16.022 299 HE2 MET 41 HE2 MET 41 -23.381 -17.684 16.479 300 HE3 MET 41 HE3 MET 41 -22.672 -17.297 14.911 301 H ASP 42 HN ASP 42 -20.459 -21.680 11.160 302 HA ASP 42 HA ASP 42 -22.167 -22.476 9.019 303 HB2 ASP 42 HB2 ASP 42 -19.991 -23.525 9.303 304 HB3 ASP 42 HB1 ASP 42 -20.442 -24.119 10.900 305 H GLY 43 HN GLY 43 -23.761 -24.196 9.104 306 HA2 GLY 43 HA2 GLY 43 -25.357 -25.517 10.280 307 HA3 GLY 43 HA1 GLY 43 -25.104 -24.518 11.704 308 H ARG 44 HN ARG 44 -25.265 -22.022 10.187 309 HA ARG 44 HA ARG 44 -28.185 -21.949 9.796 310 HB2 ARG 44 HB2 ARG 44 -27.972 -19.498 10.251 311 HB3 ARG 44 HB1 ARG 44 -27.511 -20.519 11.606 312 HG2 ARG 44 HG2 ARG 44 -25.134 -20.186 11.010 313 HG3 ARG 44 HG1 ARG 44 -25.639 -19.101 9.714 314 HD2 ARG 44 HD2 ARG 44 -24.986 -17.787 11.619 315 HD3 ARG 44 HD1 ARG 44 -26.731 -17.655 11.406 316 HE ARG 44 HE ARG 44 -25.521 -19.466 13.400 317 HH11 ARG 44 HH11 ARG 44 -27.856 -17.009 12.515 318 HH12 ARG 44 HH12 ARG 44 -28.586 -16.956 14.092 319 HH21 ARG 44 HH21 ARG 44 -26.483 -19.392 15.480 320 HH22 ARG 44 HH22 ARG 44 -27.805 -18.303 15.769 321 H SER 45 HN SER 45 -29.019 -21.364 7.885 322 HA SER 45 HA SER 45 -27.369 -21.486 5.593 323 HB2 SER 45 HB2 SER 45 -30.286 -20.702 5.851 324 HB3 SER 45 HB1 SER 45 -29.470 -21.084 4.333 325 HG SER 45 HG SER 45 -29.499 -22.898 6.508 326 H LEU 46 HN LEU 46 -27.307 -19.938 3.857 327 HA LEU 46 HA LEU 46 -26.909 -17.214 4.853 328 HB2 LEU 46 HB2 LEU 46 -25.578 -18.913 2.781 329 HB3 LEU 46 HB1 LEU 46 -25.543 -17.175 2.597 330 HG LEU 46 HG LEU 46 -24.536 -18.564 5.079 331 HD11 LEU 46 HD11 LEU 46 -23.281 -19.320 3.093 332 HD12 LEU 46 HD12 LEU 46 -22.307 -18.344 4.188 333 HD13 LEU 46 HD13 LEU 46 -22.932 -17.636 2.699 334 HD21 LEU 46 HD21 LEU 46 -24.096 -15.790 3.960 335 HD22 LEU 46 HD22 LEU 46 -23.355 -16.442 5.423 336 HD23 LEU 46 HD23 LEU 46 -25.100 -16.207 5.350 337 HA PRO 47 HA PRO 47 -29.923 -15.426 2.060 338 HB2 PRO 47 HB2 PRO 47 -27.753 -13.514 1.331 339 HB3 PRO 47 HB1 PRO 47 -29.390 -13.192 1.911 340 HG2 PRO 47 HG2 PRO 47 -27.260 -12.894 3.510 341 HG3 PRO 47 HG1 PRO 47 -28.812 -13.494 4.126 342 HD2 PRO 47 HD2 PRO 47 -26.299 -15.005 3.539 343 HD3 PRO 47 HD1 PRO 47 -27.509 -15.268 4.807 344 H ALA 48 HN ALA 48 -30.394 -15.296 -0.126 345 HA ALA 48 HA ALA 48 -29.238 -17.132 -1.842 346 HB1 ALA 48 HB1 ALA 48 -30.828 -14.675 -2.602 347 HB2 ALA 48 HB2 ALA 48 -31.499 -16.237 -2.137 348 HB3 ALA 48 HB3 ALA 48 -30.559 -16.094 -3.621 349 H GLY 49 HN GLY 49 -27.309 -17.147 -2.778 350 HA2 GLY 49 HA2 GLY 49 -25.945 -16.131 -4.534 351 HA3 GLY 49 HA1 GLY 49 -26.167 -14.585 -3.728 352 H TRP 50 HN TRP 50 -25.809 -15.988 -1.054 353 HA TRP 50 HA TRP 50 -22.949 -15.549 -0.954 354 HB2 TRP 50 HB2 TRP 50 -24.982 -16.269 1.156 355 HB3 TRP 50 HB1 TRP 50 -23.274 -16.045 1.508 356 HD1 TRP 50 HD1 TRP 50 -26.136 -13.966 -0.130 357 HE1 TRP 50 HE1 TRP 50 -25.831 -11.512 0.580 358 HE3 TRP 50 HE3 TRP 50 -21.826 -14.437 2.589 359 HZ2 TRP 50 HZ2 TRP 50 -24.011 -9.982 2.092 360 HZ3 TRP 50 HZ3 TRP 50 -20.872 -12.425 3.636 361 HH2 TRP 50 HH2 TRP 50 -21.942 -10.242 3.392 362 H GLU 51 HN GLU 51 -21.370 -17.026 -0.837 363 HA GLU 51 HA GLU 51 -22.120 -19.879 -0.828 364 HB2 GLU 51 HB2 GLU 51 -20.169 -20.280 -2.263 365 HB3 GLU 51 HB1 GLU 51 -21.263 -19.121 -3.008 366 HG2 GLU 51 HG2 GLU 51 -19.788 -17.307 -2.068 367 HG3 GLU 51 HG1 GLU 51 -18.638 -18.568 -1.650 368 H THR 52 HN THR 52 -20.605 -21.335 0.075 369 HA THR 52 HA THR 52 -19.095 -20.233 2.365 370 HB THR 52 HB THR 52 -19.534 -22.469 3.439 371 HG1 THR 52 HG1 THR 52 -20.013 -23.540 1.389 372 HG21 THR 52 HG21 THR 52 -20.937 -20.539 4.005 373 HG22 THR 52 HG22 THR 52 -21.886 -22.024 4.002 374 HG23 THR 52 HG23 THR 52 -22.002 -20.903 2.645 375 H VAL 53 HN VAL 53 -17.088 -21.218 2.916 376 HA VAL 53 HA VAL 53 -15.872 -23.149 1.097 377 HB VAL 53 HB VAL 53 -14.600 -20.402 1.297 378 HG11 VAL 53 HG11 VAL 53 -14.004 -22.740 -0.521 379 HG12 VAL 53 HG12 VAL 53 -13.050 -22.229 0.871 380 HG13 VAL 53 HG13 VAL 53 -13.180 -21.179 -0.539 381 HG21 VAL 53 HG21 VAL 53 -16.645 -20.101 0.025 382 HG22 VAL 53 HG22 VAL 53 -16.235 -21.466 -1.014 383 HG23 VAL 53 HG23 VAL 53 -15.250 -20.004 -1.050 384 H GLY 54 HN GLY 54 -13.855 -23.930 1.888 385 HA2 GLY 54 HA2 GLY 54 -11.924 -23.921 3.191 386 HA3 GLY 54 HA1 GLY 54 -12.581 -22.608 4.142 387 H GLU 55 HN GLU 55 -11.382 -24.285 5.611 388 HA GLU 55 HA GLU 55 -12.802 -26.557 6.532 389 HB2 GLU 55 HB2 GLU 55 -10.459 -26.432 6.958 390 HB3 GLU 55 HB1 GLU 55 -10.604 -24.844 7.693 391 HG2 GLU 55 HG2 GLU 55 -11.849 -25.889 9.577 392 HG3 GLU 55 HG1 GLU 55 -11.541 -27.465 8.851 393 HA PRO 56 HA PRO 56 -15.842 -24.256 9.030 394 HB2 PRO 56 HB2 PRO 56 -17.047 -26.508 10.007 395 HB3 PRO 56 HB1 PRO 56 -17.467 -25.775 8.464 396 HG2 PRO 56 HG2 PRO 56 -15.660 -28.100 9.030 397 HG3 PRO 56 HG1 PRO 56 -16.894 -27.924 7.764 398 HD2 PRO 56 HD2 PRO 56 -14.308 -27.583 7.226 399 HD3 PRO 56 HD1 PRO 56 -15.529 -26.582 6.445 400 H ALA 57 HN ALA 57 -14.884 -23.422 10.761 401 HA ALA 57 HA ALA 57 -14.323 -24.997 13.086 402 HB1 ALA 57 HB1 ALA 57 -12.311 -25.510 11.763 403 HB2 ALA 57 HB2 ALA 57 -11.922 -24.594 13.217 404 HB3 ALA 57 HB3 ALA 57 -11.952 -23.786 11.649 405 H THR 58 HN THR 58 -12.931 -23.443 14.652 406 HA THR 58 HA THR 58 -14.693 -21.423 15.363 407 HB THR 58 HB THR 58 -13.130 -22.477 16.948 408 HG1 THR 58 HG1 THR 58 -14.018 -20.394 17.420 409 HG21 THR 58 HG21 THR 58 -10.785 -21.757 17.053 410 HG22 THR 58 HG22 THR 58 -10.999 -20.821 15.575 411 HG23 THR 58 HG23 THR 58 -11.130 -22.579 15.531 412 H LYS 59 HN LYS 59 -14.371 -19.130 15.513 413 HA LYS 59 HA LYS 59 -13.991 -17.786 13.175 414 HB2 LYS 59 HB2 LYS 59 -15.056 -16.741 15.085 415 HB3 LYS 59 HB1 LYS 59 -13.554 -16.779 15.996 416 HG2 LYS 59 HG2 LYS 59 -14.058 -14.534 15.160 417 HG3 LYS 59 HG1 LYS 59 -12.554 -15.162 14.485 418 HD2 LYS 59 HD2 LYS 59 -13.763 -15.780 12.422 419 HD3 LYS 59 HD1 LYS 59 -15.241 -15.101 13.103 420 HE2 LYS 59 HE2 LYS 59 -12.699 -13.536 12.635 421 HE3 LYS 59 HE1 LYS 59 -14.060 -13.581 11.516 422 HZ1 LYS 59 HZ1 LYS 59 -14.114 -11.628 12.940 423 HZ2 LYS 59 HZ2 LYS 59 -14.174 -12.606 14.318 424 HZ3 LYS 59 HZ3 LYS 59 -15.459 -12.616 13.222 425 H GLN 60 HN GLN 60 -11.549 -18.352 15.677 426 HA GLN 60 HA GLN 60 -9.476 -16.840 14.607 427 HB2 GLN 60 HB2 GLN 60 -9.510 -17.898 16.864 428 HB3 GLN 60 HB1 GLN 60 -9.198 -19.453 16.107 429 HG2 GLN 60 HG2 GLN 60 -7.064 -18.598 15.255 430 HG3 GLN 60 HG1 GLN 60 -7.377 -17.047 16.031 431 HE21 GLN 60 HE21 GLN 60 -8.592 -18.357 18.392 432 HE22 GLN 60 HE22 GLN 60 -7.261 -18.992 19.296 433 H GLN 61 HN GLN 61 -10.391 -20.193 13.932 434 HA GLN 61 HA GLN 61 -8.180 -20.751 12.227 435 HB2 GLN 61 HB2 GLN 61 -10.838 -22.088 12.688 436 HB3 GLN 61 HB1 GLN 61 -9.764 -22.644 11.417 437 HG2 GLN 61 HG2 GLN 61 -9.062 -22.503 14.342 438 HG3 GLN 61 HG1 GLN 61 -9.573 -23.956 13.483 439 HE21 GLN 61 HE21 GLN 61 -8.200 -24.738 11.764 440 HE22 GLN 61 HE22 GLN 61 -6.494 -24.433 11.824 441 H CYS 62 HN CYS 62 -11.581 -19.876 11.592 442 HA CYS 62 HA CYS 62 -11.402 -20.157 8.798 443 HB2 CYS 62 HB2 CYS 62 -13.486 -18.757 8.732 444 HB3 CYS 62 HB1 CYS 62 -13.572 -20.150 9.802 445 HG CYS 62 HG CYS 62 -14.279 -18.855 11.879 446 H LEU 63 HN LEU 63 -10.978 -17.257 10.855 447 HA LEU 63 HA LEU 63 -10.423 -15.553 8.644 448 HB2 LEU 63 HB2 LEU 63 -9.597 -13.927 10.251 449 HB3 LEU 63 HB1 LEU 63 -11.106 -14.624 10.799 450 HG LEU 63 HG LEU 63 -9.509 -16.187 12.218 451 HD11 LEU 63 HD11 LEU 63 -7.512 -14.984 13.006 452 HD12 LEU 63 HD12 LEU 63 -7.782 -13.751 11.772 453 HD13 LEU 63 HD13 LEU 63 -7.407 -15.406 11.297 454 HD21 LEU 63 HD21 LEU 63 -10.028 -13.307 12.976 455 HD22 LEU 63 HD22 LEU 63 -9.697 -14.639 14.085 456 HD23 LEU 63 HD23 LEU 63 -11.178 -14.637 13.132 457 H GLN 64 HN GLN 64 -8.402 -17.516 10.770 458 HA GLN 64 HA GLN 64 -5.874 -16.616 10.042 459 HB2 GLN 64 HB2 GLN 64 -6.436 -18.246 11.878 460 HB3 GLN 64 HB1 GLN 64 -6.638 -19.484 10.650 461 HG2 GLN 64 HG2 GLN 64 -4.247 -19.079 9.990 462 HG3 GLN 64 HG1 GLN 64 -4.109 -18.045 11.413 463 HE21 GLN 64 HE21 GLN 64 -4.287 -18.988 13.486 464 HE22 GLN 64 HE22 GLN 64 -4.050 -20.682 13.729 465 H ARG 65 HN ARG 65 -7.993 -18.975 8.495 466 HA ARG 65 HA ARG 65 -6.226 -20.139 6.732 467 HB2 ARG 65 HB2 ARG 65 -8.536 -20.811 7.449 468 HB3 ARG 65 HB1 ARG 65 -9.166 -19.596 6.345 469 HG2 ARG 65 HG2 ARG 65 -8.619 -20.799 4.491 470 HG3 ARG 65 HG1 ARG 65 -7.284 -21.639 5.289 471 HD2 ARG 65 HD2 ARG 65 -10.209 -22.072 5.867 472 HD3 ARG 65 HD1 ARG 65 -9.194 -23.090 4.881 473 HE ARG 65 HE ARG 65 -8.961 -22.768 7.778 474 HH11 ARG 65 HH11 ARG 65 -8.300 -24.585 4.858 475 HH12 ARG 65 HH12 ARG 65 -7.474 -25.863 5.693 476 HH21 ARG 65 HH21 ARG 65 -7.930 -24.502 8.886 477 HH22 ARG 65 HH22 ARG 65 -7.272 -25.816 7.967 478 H ILE 66 HN ILE 66 -8.451 -17.397 6.167 479 HA ILE 66 HA ILE 66 -7.616 -17.076 3.447 480 HB ILE 66 HB ILE 66 -8.945 -14.920 3.576 481 HG12 ILE 66 HG12 ILE 66 -9.711 -16.018 6.301 482 HG13 ILE 66 HG11 ILE 66 -8.692 -14.607 6.047 483 HG21 ILE 66 HG21 ILE 66 -10.306 -17.506 4.334 484 HG22 ILE 66 HG22 ILE 66 -9.881 -16.983 2.702 485 HG23 ILE 66 HG23 ILE 66 -11.099 -16.101 3.623 486 HD11 ILE 66 HD11 ILE 66 -10.581 -13.494 4.918 487 HD12 ILE 66 HD12 ILE 66 -10.933 -13.930 6.590 488 HD13 ILE 66 HD13 ILE 66 -11.587 -14.900 5.272 489 H GLU 67 HN GLU 67 -6.785 -15.530 6.485 490 HA GLU 67 HA GLU 67 -5.316 -13.350 5.470 491 HB2 GLU 67 HB2 GLU 67 -4.931 -14.866 8.053 492 HB3 GLU 67 HB1 GLU 67 -4.280 -13.271 7.693 493 HG2 GLU 67 HG2 GLU 67 -7.187 -14.026 7.955 494 HG3 GLU 67 HG1 GLU 67 -6.247 -13.034 9.060 495 H GLN 68 HN GLN 68 -4.498 -16.724 5.951 496 HA GLN 68 HA GLN 68 -1.693 -16.344 5.365 497 HB2 GLN 68 HB2 GLN 68 -3.373 -18.845 5.607 498 HB3 GLN 68 HB1 GLN 68 -1.633 -18.846 5.347 499 HG2 GLN 68 HG2 GLN 68 -1.275 -17.758 7.482 500 HG3 GLN 68 HG1 GLN 68 -3.015 -17.631 7.735 501 HE21 GLN 68 HE21 GLN 68 -0.956 -18.986 9.338 502 HE22 GLN 68 HE22 GLN 68 -1.476 -20.629 9.470 503 H LEU 69 HN LEU 69 -4.413 -16.332 3.439 504 HA LEU 69 HA LEU 69 -3.092 -17.719 1.197 505 HB2 LEU 69 HB2 LEU 69 -5.997 -16.994 1.603 506 HB3 LEU 69 HB1 LEU 69 -5.356 -17.694 0.129 507 HG LEU 69 HG LEU 69 -5.349 -19.023 2.843 508 HD11 LEU 69 HD11 LEU 69 -7.592 -18.833 1.888 509 HD12 LEU 69 HD12 LEU 69 -7.036 -20.505 1.906 510 HD13 LEU 69 HD13 LEU 69 -7.025 -19.590 0.398 511 HD21 LEU 69 HD21 LEU 69 -4.523 -20.102 0.143 512 HD22 LEU 69 HD22 LEU 69 -4.584 -21.014 1.653 513 HD23 LEU 69 HD23 LEU 69 -3.434 -19.691 1.468 514 H TRP 70 HN TRP 70 -5.354 -14.991 1.535 515 HA TRP 70 HA TRP 70 -4.257 -13.745 -0.851 516 HB2 TRP 70 HB2 TRP 70 -6.547 -12.903 0.946 517 HB3 TRP 70 HB1 TRP 70 -6.129 -12.154 -0.594 518 HD1 TRP 70 HD1 TRP 70 -7.717 -15.313 0.873 519 HE1 TRP 70 HE1 TRP 70 -8.931 -16.582 -1.005 520 HE3 TRP 70 HE3 TRP 70 -6.135 -12.554 -3.133 521 HZ2 TRP 70 HZ2 TRP 70 -9.195 -16.433 -3.813 522 HZ3 TRP 70 HZ3 TRP 70 -6.913 -13.182 -5.381 523 HH2 TRP 70 HH2 TRP 70 -8.413 -15.086 -5.713 524 H THR 71 HN THR 71 -4.809 -12.868 2.516 525 HA THR 71 HA THR 71 -3.471 -10.377 2.389 526 HB THR 71 HB THR 71 -3.931 -11.883 4.959 527 HG1 THR 71 HG1 THR 71 -6.113 -11.436 4.833 528 HG21 THR 71 HG21 THR 71 -2.919 -9.630 5.040 529 HG22 THR 71 HG22 THR 71 -4.510 -9.661 5.800 530 HG23 THR 71 HG23 THR 71 -4.319 -8.981 4.183 531 H ASP 72 HN ASP 72 -2.318 -13.503 2.411 532 HA ASP 72 HA ASP 72 -0.403 -13.856 4.260 533 HB2 ASP 72 HB2 ASP 72 0.553 -15.481 2.888 534 HB3 ASP 72 HB1 ASP 72 -1.083 -15.342 2.254 535 H MET 73 HN MET 73 -0.093 -11.769 1.445 536 HA MET 73 HA MET 73 2.709 -11.450 1.539 537 HB2 MET 73 HB2 MET 73 2.304 -9.439 0.096 538 HB3 MET 73 HB1 MET 73 1.600 -10.932 -0.502 539 HG2 MET 73 HG2 MET 73 -0.592 -10.233 0.353 540 HG3 MET 73 HG1 MET 73 0.124 -8.722 0.917 541 HE1 MET 73 HE1 MET 73 -1.756 -7.375 -0.462 542 HE2 MET 73 HE2 MET 73 -2.427 -8.919 -0.990 543 HE3 MET 73 HE3 MET 73 -2.077 -7.658 -2.172 544 H VAL 74 HN VAL 74 3.201 -11.100 3.710 545 HA VAL 74 HA VAL 74 2.577 -8.423 4.751 546 HB VAL 74 HB VAL 74 1.992 -10.227 6.281 547 HG11 VAL 74 HG11 VAL 74 3.555 -11.934 5.484 548 HG12 VAL 74 HG12 VAL 74 3.671 -11.728 7.232 549 HG13 VAL 74 HG13 VAL 74 4.903 -11.031 6.178 550 HG21 VAL 74 HG21 VAL 74 3.239 -9.498 8.261 551 HG22 VAL 74 HG22 VAL 74 2.790 -8.126 7.250 552 HG23 VAL 74 HG23 VAL 74 4.447 -8.732 7.227 553 HA PRO 75 HA PRO 75 6.815 -7.344 3.731 554 HB2 PRO 75 HB2 PRO 75 6.431 -4.897 5.277 555 HB3 PRO 75 HB1 PRO 75 6.594 -5.092 3.532 556 HG2 PRO 75 HG2 PRO 75 4.270 -4.346 4.741 557 HG3 PRO 75 HG1 PRO 75 4.329 -5.229 3.205 558 HD2 PRO 75 HD2 PRO 75 3.787 -6.261 5.968 559 HD3 PRO 75 HD1 PRO 75 3.015 -6.691 4.424 560 H ALA 76 HN ALA 76 8.361 -5.709 5.385 561 HA ALA 76 HA ALA 76 9.591 -7.526 7.085 562 HB1 ALA 76 HB1 ALA 76 10.677 -5.522 6.174 563 HB2 ALA 76 HB2 ALA 76 10.881 -5.643 7.922 564 HB3 ALA 76 HB3 ALA 76 9.705 -4.514 7.248 565 H SER 77 HN SER 77 6.811 -5.589 7.652 566 HA SER 77 HA SER 77 6.901 -5.224 10.409 567 HB2 SER 77 HB2 SER 77 4.408 -5.038 10.242 568 HB3 SER 77 HB1 SER 77 5.274 -4.058 9.060 569 HG SER 77 HG SER 77 3.647 -6.282 8.699 570 H VAL 78 HN VAL 78 6.516 -8.139 8.643 571 HA VAL 78 HA VAL 78 5.001 -9.701 10.400 572 HB VAL 78 HB VAL 78 5.658 -10.496 8.174 573 HG11 VAL 78 HG11 VAL 78 7.902 -11.281 7.681 574 HG12 VAL 78 HG12 VAL 78 8.449 -10.811 9.290 575 HG13 VAL 78 HG13 VAL 78 7.942 -9.577 8.135 576 HG21 VAL 78 HG21 VAL 78 6.657 -12.290 10.393 577 HG22 VAL 78 HG22 VAL 78 6.232 -12.816 8.763 578 HG23 VAL 78 HG23 VAL 78 4.991 -12.157 9.829 579 H ARG 79 HN ARG 79 8.350 -8.690 10.524 580 HA ARG 79 HA ARG 79 9.237 -10.514 12.502 581 HB2 ARG 79 HB2 ARG 79 10.349 -7.784 11.806 582 HB3 ARG 79 HB1 ARG 79 11.191 -9.049 12.693 583 HG2 ARG 79 HG2 ARG 79 11.118 -10.492 10.714 584 HG3 ARG 79 HG1 ARG 79 10.272 -9.223 9.822 585 HD2 ARG 79 HD2 ARG 79 13.075 -9.119 10.941 586 HD3 ARG 79 HD1 ARG 79 12.608 -9.168 9.243 587 HE ARG 79 HE ARG 79 11.831 -6.905 10.956 588 HH11 ARG 79 HH11 ARG 79 13.419 -8.133 8.088 589 HH12 ARG 79 HH12 ARG 79 13.829 -6.557 7.495 590 HH21 ARG 79 HH21 ARG 79 12.350 -4.840 10.171 591 HH22 ARG 79 HH22 ARG 79 13.217 -4.677 8.675 592 H GLU 80 HN GLU 80 7.354 -7.654 12.643 593 HA GLU 80 HA GLU 80 7.888 -6.705 15.216 594 HB2 GLU 80 HB2 GLU 80 6.467 -5.555 13.517 595 HB3 GLU 80 HB1 GLU 80 5.212 -6.753 13.788 596 HG2 GLU 80 HG2 GLU 80 4.680 -4.728 14.967 597 HG3 GLU 80 HG1 GLU 80 5.037 -6.003 16.130 598 H HIS 81 HN HIS 81 5.883 -9.365 14.084 599 HA HIS 81 HA HIS 81 5.096 -10.025 16.831 600 HB2 HIS 81 HB2 HIS 81 3.401 -10.085 14.919 601 HB3 HIS 81 HB1 HIS 81 4.281 -11.491 14.305 602 HD1 HIS 81 HD1 HIS 81 2.550 -13.263 14.742 603 HD2 HIS 81 HD2 HIS 81 3.409 -10.997 18.111 604 HE1 HIS 81 HE1 HIS 81 1.342 -14.388 16.635 605 HE2 HIS 81 HE2 HIS 81 2.044 -13.113 18.687 606 H LEU 82 HN LEU 82 6.683 -11.416 14.001 607 HA LEU 82 HA LEU 82 7.506 -13.752 15.546 608 HB2 LEU 82 HB2 LEU 82 6.423 -13.692 13.160 609 HB3 LEU 82 HB1 LEU 82 8.050 -13.332 12.622 610 HG LEU 82 HG LEU 82 7.421 -15.780 14.275 611 HD11 LEU 82 HD11 LEU 82 7.443 -15.561 11.264 612 HD12 LEU 82 HD12 LEU 82 6.007 -15.769 12.268 613 HD13 LEU 82 HD13 LEU 82 7.234 -17.039 12.209 614 HD21 LEU 82 HD21 LEU 82 9.777 -15.134 14.145 615 HD22 LEU 82 HD22 LEU 82 9.689 -15.120 12.385 616 HD23 LEU 82 HD23 LEU 82 9.485 -16.635 13.265 617 H ASN 83 HN ASN 83 9.185 -13.069 16.797 618 HA ASN 83 HA ASN 83 11.194 -11.257 15.958 619 HB2 ASN 83 HB2 ASN 83 10.632 -11.566 18.327 620 HB3 ASN 83 HB1 ASN 83 11.206 -13.228 18.262 621 HD21 ASN 83 HD21 ASN 83 12.708 -12.835 19.892 622 HD22 ASN 83 HD22 ASN 83 14.151 -11.923 19.617 623 H GLN 84 HN GLN 84 13.360 -11.615 15.442 624 HA GLN 84 HA GLN 84 13.832 -13.751 13.663 625 HB2 GLN 84 HB2 GLN 84 15.708 -11.723 14.896 626 HB3 GLN 84 HB1 GLN 84 16.189 -12.854 13.638 627 HG2 GLN 84 HG2 GLN 84 13.986 -10.815 13.355 628 HG3 GLN 84 HG1 GLN 84 15.642 -10.592 12.796 629 HE21 GLN 84 HE21 GLN 84 15.925 -13.372 11.940 630 HE22 GLN 84 HE22 GLN 84 15.007 -13.517 10.485 631 H HIS 85 HN HIS 85 13.488 -15.656 14.856 632 HA HIS 85 HA HIS 85 15.813 -16.452 16.487 633 HB2 HIS 85 HB2 HIS 85 14.372 -17.877 17.846 634 HB3 HIS 85 HB1 HIS 85 13.795 -16.219 17.916 635 HD1 HIS 85 HD1 HIS 85 11.429 -15.772 17.135 636 HD2 HIS 85 HD2 HIS 85 12.698 -19.653 16.345 637 HE1 HIS 85 HE1 HIS 85 9.374 -17.017 16.394 638 HE2 HIS 85 HE2 HIS 85 10.192 -19.329 15.797 639 H SER 86 HN SER 86 16.577 -18.561 16.143 640 HA SER 86 HA SER 86 15.984 -19.577 13.499 641 HB2 SER 86 HB2 SER 86 17.865 -21.198 14.052 642 HB3 SER 86 HB1 SER 86 18.303 -19.490 14.058 643 HG SER 86 HG SER 86 17.497 -20.809 16.425 644 H GLY 87 HN GLY 87 13.889 -20.367 13.724 645 HA2 GLY 87 HA2 GLY 87 13.557 -23.055 14.141 646 HA3 GLY 87 HA1 GLY 87 13.181 -22.322 15.697 647 HA PRO 88 HA PRO 88 9.490 -22.269 12.651 648 HB2 PRO 88 HB2 PRO 88 8.268 -24.107 14.633 649 HB3 PRO 88 HB1 PRO 88 8.310 -24.222 12.870 650 HG2 PRO 88 HG2 PRO 88 9.790 -25.846 14.405 651 HG3 PRO 88 HG1 PRO 88 10.395 -25.237 12.851 652 HD2 PRO 88 HD2 PRO 88 11.029 -24.298 15.632 653 HD3 PRO 88 HD1 PRO 88 12.120 -24.541 14.249 654 H GLY 89 HN GLY 89 7.159 -21.745 13.342 655 HA2 GLY 89 HA2 GLY 89 6.798 -20.663 15.989 656 HA3 GLY 89 HA1 GLY 89 6.984 -19.431 14.748 657 H ILE 90 HN ILE 90 4.736 -21.045 16.466 658 HA ILE 90 HA ILE 90 2.723 -21.401 14.453 659 HB ILE 90 HB ILE 90 2.374 -21.055 17.447 660 HG12 ILE 90 HG12 ILE 90 2.637 -23.599 15.810 661 HG13 ILE 90 HG11 ILE 90 3.849 -22.959 16.915 662 HG21 ILE 90 HG21 ILE 90 0.506 -22.226 15.378 663 HG22 ILE 90 HG22 ILE 90 0.312 -20.677 16.200 664 HG23 ILE 90 HG23 ILE 90 0.220 -22.180 17.117 665 HD11 ILE 90 HD11 ILE 90 2.322 -23.297 18.792 666 HD12 ILE 90 HD12 ILE 90 2.613 -24.801 17.917 667 HD13 ILE 90 HD13 ILE 90 1.100 -23.925 17.685 668 H ASP 91 HN ASP 91 2.701 -19.479 13.298 669 HA ASP 91 HA ASP 91 1.709 -17.098 14.729 670 HB2 ASP 91 HB2 ASP 91 4.244 -17.214 13.841 671 HB3 ASP 91 HB1 ASP 91 3.474 -16.754 12.329 672 H TYR 92 HN TYR 92 1.040 -15.430 12.847 673 HA TYR 92 HA TYR 92 -0.729 -16.906 10.999 674 HB2 TYR 92 HB2 TYR 92 -2.343 -15.041 11.274 675 HB3 TYR 92 HB1 TYR 92 -2.029 -15.871 12.793 676 HD1 TYR 92 HD2 TYR 92 -1.156 -12.826 10.849 677 HD2 TYR 92 HD1 TYR 92 -1.246 -14.663 14.690 678 HE1 TYR 92 HE2 TYR 92 -0.581 -10.677 11.879 679 HE2 TYR 92 HE1 TYR 92 -0.673 -12.506 15.730 680 HH TYR 92 HH TYR 92 -0.809 -9.554 14.029 681 H ALA 93 HN ALA 93 -1.576 -15.123 9.292 682 HA ALA 93 HA ALA 93 0.831 -13.759 8.263 683 HB1 ALA 93 HB1 ALA 93 -0.062 -14.048 6.021 684 HB2 ALA 93 HB2 ALA 93 -1.501 -14.831 6.675 685 HB3 ALA 93 HB3 ALA 93 0.072 -15.609 6.835 686 H VAL 94 HN VAL 94 0.410 -11.921 9.448 687 HA VAL 94 HA VAL 94 -0.453 -9.913 9.991 688 HB VAL 94 HB VAL 94 0.706 -9.513 7.861 689 HG11 VAL 94 HG11 VAL 94 -2.030 -9.704 6.605 690 HG12 VAL 94 HG12 VAL 94 -0.694 -10.827 6.355 691 HG13 VAL 94 HG13 VAL 94 -0.562 -9.159 5.795 692 HG21 VAL 94 HG21 VAL 94 -0.087 -7.635 9.105 693 HG22 VAL 94 HG22 VAL 94 -1.707 -7.816 8.442 694 HG23 VAL 94 HG23 VAL 94 -0.377 -7.309 7.394 695 H ARG 95 HN ARG 95 -2.435 -11.955 10.033 696 HA ARG 95 HA ARG 95 -4.982 -11.028 9.405 697 HB2 ARG 95 HB2 ARG 95 -5.829 -12.700 10.778 698 HB3 ARG 95 HB1 ARG 95 -4.226 -13.321 10.428 699 HG2 ARG 95 HG2 ARG 95 -4.294 -13.697 12.675 700 HG3 ARG 95 HG1 ARG 95 -3.621 -12.068 12.686 701 HD2 ARG 95 HD2 ARG 95 -6.034 -11.244 12.878 702 HD3 ARG 95 HD1 ARG 95 -6.459 -12.917 13.235 703 HE ARG 95 HE ARG 95 -4.781 -12.681 15.131 704 HH11 ARG 95 HH11 ARG 95 -6.586 -9.986 13.842 705 HH12 ARG 95 HH12 ARG 95 -6.600 -9.100 15.333 706 HH21 ARG 95 HH21 ARG 95 -4.785 -11.523 17.121 707 HH22 ARG 95 HH22 ARG 95 -5.565 -9.975 17.200 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 2.244 -22.803 18.453 2 H2 MET 1 HT2 MET 1 2.740 -21.931 19.810 3 H3 MET 1 HT3 MET 1 3.316 -23.501 19.554 4 HA MET 1 HA MET 1 3.854 -21.180 17.798 5 HB2 MET 1 HB2 MET 1 5.644 -22.592 19.794 6 HB3 MET 1 HB1 MET 1 6.191 -21.379 18.642 7 HG2 MET 1 HG2 MET 1 4.735 -19.722 19.718 8 HG3 MET 1 HG1 MET 1 4.217 -20.945 20.878 9 HE1 MET 1 HE1 MET 1 4.884 -19.424 22.938 10 HE2 MET 1 HE2 MET 1 5.351 -18.148 21.813 11 HE3 MET 1 HE3 MET 1 6.453 -18.634 23.099 12 H ALA 2 HN ALA 2 5.869 -21.716 16.457 13 HA ALA 2 HA ALA 2 6.986 -22.951 14.925 14 HB1 ALA 2 HB1 ALA 2 7.372 -25.335 15.325 15 HB2 ALA 2 HB2 ALA 2 6.145 -25.322 16.593 16 HB3 ALA 2 HB3 ALA 2 7.626 -24.383 16.788 17 H HIS 3 HN HIS 3 5.983 -22.699 13.040 18 HA HIS 3 HA HIS 3 4.457 -24.855 11.947 19 HB2 HIS 3 HB2 HIS 3 2.994 -22.646 13.089 20 HB3 HIS 3 HB1 HIS 3 2.786 -22.618 11.344 21 HD1 HIS 3 HD1 HIS 3 0.368 -23.395 11.316 22 HD2 HIS 3 HD2 HIS 3 2.880 -25.989 13.375 23 HE1 HIS 3 HE1 HIS 3 -1.014 -25.439 11.792 24 HE2 HIS 3 HE2 HIS 3 0.544 -27.022 12.978 25 H HIS 4 HN HIS 4 4.375 -24.749 9.665 26 HA HIS 4 HA HIS 4 5.476 -22.395 8.337 27 HB2 HIS 4 HB2 HIS 4 6.796 -25.114 8.277 28 HB3 HIS 4 HB1 HIS 4 7.012 -23.960 6.966 29 HD1 HIS 4 HD1 HIS 4 8.865 -25.097 9.634 30 HD2 HIS 4 HD2 HIS 4 7.778 -21.268 8.428 31 HE1 HIS 4 HE1 HIS 4 10.554 -23.556 10.674 32 HE2 HIS 4 HE2 HIS 4 9.980 -21.270 9.789 33 H HIS 5 HN HIS 5 3.724 -22.006 7.116 34 HA HIS 5 HA HIS 5 2.543 -24.220 5.580 35 HB2 HIS 5 HB2 HIS 5 0.565 -22.931 5.360 36 HB3 HIS 5 HB1 HIS 5 1.073 -22.687 7.027 37 HD1 HIS 5 HD1 HIS 5 0.694 -20.906 3.756 38 HD2 HIS 5 HD2 HIS 5 1.870 -20.063 7.653 39 HE1 HIS 5 HE1 HIS 5 0.812 -18.401 3.901 40 HE2 HIS 5 HE2 HIS 5 1.276 -17.926 6.324 41 H HIS 6 HN HIS 6 2.423 -24.139 3.363 42 HA HIS 6 HA HIS 6 4.035 -22.101 2.009 43 HB2 HIS 6 HB2 HIS 6 2.803 -24.676 0.969 44 HB3 HIS 6 HB1 HIS 6 3.812 -23.586 0.021 45 HD1 HIS 6 HD1 HIS 6 4.041 -26.577 1.968 46 HD2 HIS 6 HD2 HIS 6 6.506 -23.291 1.341 47 HE1 HIS 6 HE1 HIS 6 6.340 -27.311 2.675 48 HE2 HIS 6 HE2 HIS 6 7.776 -25.259 2.433 49 H HIS 7 HN HIS 7 2.901 -21.807 -0.406 50 HA HIS 7 HA HIS 7 0.469 -20.358 0.227 51 HB2 HIS 7 HB2 HIS 7 2.190 -20.513 -2.248 52 HB3 HIS 7 HB1 HIS 7 0.646 -19.660 -2.227 53 HD1 HIS 7 HD1 HIS 7 4.186 -19.307 -1.265 54 HD2 HIS 7 HD2 HIS 7 0.585 -17.402 -0.469 55 HE1 HIS 7 HE1 HIS 7 4.805 -17.112 -0.214 56 HE2 HIS 7 HE2 HIS 7 2.601 -16.101 0.476 57 H HIS 8 HN HIS 8 -1.515 -20.663 -0.695 58 HA HIS 8 HA HIS 8 -2.061 -23.004 -2.319 59 HB2 HIS 8 HB2 HIS 8 -2.039 -24.034 -0.144 60 HB3 HIS 8 HB1 HIS 8 -2.981 -22.726 0.556 61 HD1 HIS 8 HD1 HIS 8 -3.382 -25.630 -1.856 62 HD2 HIS 8 HD2 HIS 8 -5.679 -23.128 0.541 63 HE1 HIS 8 HE1 HIS 8 -5.701 -26.587 -1.905 64 HE2 HIS 8 HE2 HIS 8 -7.022 -25.169 -0.303 65 H MET 9 HN MET 9 -3.907 -22.727 -3.509 66 HA MET 9 HA MET 9 -4.903 -20.098 -3.806 67 HB2 MET 9 HB2 MET 9 -6.044 -22.692 -4.887 68 HB3 MET 9 HB1 MET 9 -6.441 -21.079 -5.463 69 HG2 MET 9 HG2 MET 9 -4.192 -20.764 -6.275 70 HG3 MET 9 HG1 MET 9 -3.686 -22.299 -5.572 71 HE1 MET 9 HE1 MET 9 -7.069 -21.514 -7.452 72 HE2 MET 9 HE2 MET 9 -6.638 -21.939 -9.108 73 HE3 MET 9 HE3 MET 9 -5.876 -20.555 -8.323 74 H GLY 10 HN GLY 10 -6.698 -23.055 -2.915 75 HA2 GLY 10 HA2 GLY 10 -8.287 -23.405 -1.291 76 HA3 GLY 10 HA1 GLY 10 -7.904 -21.821 -0.636 77 H THR 11 HN THR 11 -9.218 -22.875 -3.783 78 HA THR 11 HA THR 11 -11.267 -20.849 -3.669 79 HB THR 11 HB THR 11 -12.044 -21.920 -5.821 80 HG1 THR 11 HG1 THR 11 -10.952 -23.637 -6.620 81 HG21 THR 11 HG21 THR 11 -10.462 -20.042 -5.854 82 HG22 THR 11 HG22 THR 11 -10.115 -21.183 -7.153 83 HG23 THR 11 HG23 THR 11 -9.113 -21.168 -5.702 84 H LEU 12 HN LEU 12 -11.388 -24.374 -4.119 85 HA LEU 12 HA LEU 12 -13.661 -24.487 -2.242 86 HB2 LEU 12 HB2 LEU 12 -13.229 -25.993 -4.819 87 HB3 LEU 12 HB1 LEU 12 -14.240 -26.655 -3.552 88 HG LEU 12 HG LEU 12 -15.660 -25.606 -5.168 89 HD11 LEU 12 HD11 LEU 12 -16.335 -25.351 -2.846 90 HD12 LEU 12 HD12 LEU 12 -16.836 -23.962 -3.807 91 HD13 LEU 12 HD13 LEU 12 -15.440 -23.832 -2.738 92 HD21 LEU 12 HD21 LEU 12 -14.002 -24.112 -6.192 93 HD22 LEU 12 HD22 LEU 12 -14.079 -23.063 -4.776 94 HD23 LEU 12 HD23 LEU 12 -15.498 -23.270 -5.802 95 H GLU 13 HN GLU 13 -13.096 -25.472 -0.440 96 HA GLU 13 HA GLU 13 -10.805 -27.280 -0.373 97 HB2 GLU 13 HB2 GLU 13 -12.520 -26.172 1.870 98 HB3 GLU 13 HB1 GLU 13 -11.063 -27.130 2.082 99 HG2 GLU 13 HG2 GLU 13 -11.020 -24.519 0.598 100 HG3 GLU 13 HG1 GLU 13 -10.894 -24.588 2.354 101 H ALA 14 HN ALA 14 -11.030 -29.443 -0.272 102 HA ALA 14 HA ALA 14 -13.662 -30.626 -0.290 103 HB1 ALA 14 HB1 ALA 14 -10.927 -31.920 -0.279 104 HB2 ALA 14 HB2 ALA 14 -11.904 -31.554 -1.704 105 HB3 ALA 14 HB3 ALA 14 -12.457 -32.757 -0.539 106 H GLN 15 HN GLN 15 -14.717 -31.524 1.401 107 HA GLN 15 HA GLN 15 -13.588 -31.294 4.049 108 HB2 GLN 15 HB2 GLN 15 -16.256 -32.329 3.072 109 HB3 GLN 15 HB1 GLN 15 -15.809 -32.238 4.771 110 HG2 GLN 15 HG2 GLN 15 -15.493 -29.781 4.492 111 HG3 GLN 15 HG1 GLN 15 -16.107 -29.940 2.847 112 HE21 GLN 15 HE21 GLN 15 -17.850 -28.577 3.293 113 HE22 GLN 15 HE22 GLN 15 -19.199 -29.089 4.246 114 H THR 16 HN THR 16 -12.091 -33.025 2.509 115 HA THR 16 HA THR 16 -12.652 -35.755 2.777 116 HB THR 16 HB THR 16 -10.896 -35.007 1.289 117 HG1 THR 16 HG1 THR 16 -10.655 -37.083 2.513 118 HG21 THR 16 HG21 THR 16 -9.429 -34.057 3.759 119 HG22 THR 16 HG22 THR 16 -10.160 -33.028 2.526 120 HG23 THR 16 HG23 THR 16 -8.788 -34.056 2.115 121 H GLN 17 HN GLN 17 -11.508 -33.379 5.031 122 HA GLN 17 HA GLN 17 -10.710 -35.357 7.019 123 HB2 GLN 17 HB2 GLN 17 -10.877 -32.334 7.228 124 HB3 GLN 17 HB1 GLN 17 -10.128 -33.414 8.399 125 HG2 GLN 17 HG2 GLN 17 -8.416 -34.021 6.816 126 HG3 GLN 17 HG1 GLN 17 -9.207 -33.084 5.549 127 HE21 GLN 17 HE21 GLN 17 -7.404 -31.812 5.220 128 HE22 GLN 17 HE22 GLN 17 -6.907 -30.594 6.341 129 H GLY 18 HN GLY 18 -13.142 -32.835 6.520 130 HA2 GLY 18 HA2 GLY 18 -15.389 -32.899 7.122 131 HA3 GLY 18 HA1 GLY 18 -15.089 -34.365 8.045 132 HA PRO 19 HA PRO 19 -14.883 -30.396 10.752 133 HB2 PRO 19 HB2 PRO 19 -17.426 -29.619 11.124 134 HB3 PRO 19 HB1 PRO 19 -16.512 -29.102 9.703 135 HG2 PRO 19 HG2 PRO 19 -18.529 -31.306 9.954 136 HG3 PRO 19 HG1 PRO 19 -18.374 -30.074 8.685 137 HD2 PRO 19 HD2 PRO 19 -17.427 -32.627 8.432 138 HD3 PRO 19 HD1 PRO 19 -16.717 -31.234 7.594 139 H GLY 20 HN GLY 20 -15.335 -33.383 11.088 140 HA2 GLY 20 HA2 GLY 20 -15.644 -34.827 12.843 141 HA3 GLY 20 HA1 GLY 20 -15.846 -33.425 13.885 142 H SER 21 HN SER 21 -17.942 -32.334 13.794 143 HA SER 21 HA SER 21 -20.257 -33.504 12.676 144 HB2 SER 21 HB2 SER 21 -19.766 -35.237 14.425 145 HB3 SER 21 HB1 SER 21 -19.877 -33.982 15.657 146 HG SER 21 HG SER 21 -22.046 -33.669 15.072 147 H MET 22 HN MET 22 -19.101 -30.984 12.778 148 HA MET 22 HA MET 22 -19.071 -28.883 13.664 149 HB2 MET 22 HB2 MET 22 -21.204 -27.735 13.488 150 HB3 MET 22 HB1 MET 22 -20.941 -28.794 12.118 151 HG2 MET 22 HG2 MET 22 -22.493 -30.423 13.069 152 HG3 MET 22 HG1 MET 22 -22.742 -29.377 14.466 153 HE1 MET 22 HE1 MET 22 -24.382 -26.223 12.692 154 HE2 MET 22 HE2 MET 22 -22.651 -26.505 12.865 155 HE3 MET 22 HE3 MET 22 -23.738 -26.851 14.209 156 H ASP 23 HN ASP 23 -18.281 -30.021 15.610 157 HA ASP 23 HA ASP 23 -19.879 -30.441 17.894 158 HB2 ASP 23 HB2 ASP 23 -17.703 -31.522 17.614 159 HB3 ASP 23 HB1 ASP 23 -16.899 -29.957 17.650 160 H ASP 24 HN ASP 24 -17.371 -27.968 17.492 161 HA ASP 24 HA ASP 24 -18.690 -26.248 19.432 162 HB2 ASP 24 HB2 ASP 24 -16.250 -26.559 19.517 163 HB3 ASP 24 HB1 ASP 24 -16.099 -25.938 17.879 164 H GLU 25 HN GLU 25 -18.788 -23.814 18.798 165 HA GLU 25 HA GLU 25 -20.412 -23.477 16.521 166 HB2 GLU 25 HB2 GLU 25 -18.961 -21.478 18.266 167 HB3 GLU 25 HB1 GLU 25 -20.000 -20.997 16.929 168 HG2 GLU 25 HG2 GLU 25 -20.878 -22.653 19.290 169 HG3 GLU 25 HG1 GLU 25 -21.141 -20.917 19.105 170 H LEU 26 HN LEU 26 -19.324 -24.365 14.803 171 HA LEU 26 HA LEU 26 -16.741 -23.533 13.952 172 HB2 LEU 26 HB2 LEU 26 -18.910 -25.256 12.881 173 HB3 LEU 26 HB1 LEU 26 -17.805 -24.587 11.701 174 HG LEU 26 HG LEU 26 -15.923 -25.684 12.721 175 HD11 LEU 26 HD11 LEU 26 -16.553 -25.463 15.072 176 HD12 LEU 26 HD12 LEU 26 -16.133 -27.129 14.676 177 HD13 LEU 26 HD13 LEU 26 -17.826 -26.665 14.853 178 HD21 LEU 26 HD21 LEU 26 -16.562 -28.035 12.434 179 HD22 LEU 26 HD22 LEU 26 -17.228 -27.010 11.161 180 HD23 LEU 26 HD23 LEU 26 -18.264 -27.569 12.476 181 H TYR 27 HN TYR 27 -16.301 -22.527 11.902 182 HA TYR 27 HA TYR 27 -18.327 -20.595 11.010 183 HB2 TYR 27 HB2 TYR 27 -15.385 -20.186 11.555 184 HB3 TYR 27 HB1 TYR 27 -16.237 -19.166 10.403 185 HD1 TYR 27 HD1 TYR 27 -16.651 -20.391 13.934 186 HD2 TYR 27 HD2 TYR 27 -17.073 -17.165 11.184 187 HE1 TYR 27 HE1 TYR 27 -17.391 -18.928 15.766 188 HE2 TYR 27 HE2 TYR 27 -17.809 -15.701 13.007 189 HH TYR 27 HH TYR 27 -17.455 -16.485 16.266 190 H PHE 28 HN PHE 28 -18.379 -20.214 8.816 191 HA PHE 28 HA PHE 28 -16.750 -21.999 7.133 192 HB2 PHE 28 HB2 PHE 28 -19.579 -21.550 7.197 193 HB3 PHE 28 HB1 PHE 28 -18.977 -20.864 5.692 194 HD1 PHE 28 HD2 PHE 28 -16.756 -22.733 5.101 195 HD2 PHE 28 HD1 PHE 28 -20.706 -23.479 6.489 196 HE1 PHE 28 HE2 PHE 28 -16.685 -24.980 4.128 197 HE2 PHE 28 HE1 PHE 28 -20.612 -25.745 5.510 198 HZ PHE 28 HZ PHE 28 -18.610 -26.479 4.315 199 H VAL 29 HN VAL 29 -15.905 -21.056 5.133 200 HA VAL 29 HA VAL 29 -15.379 -18.194 5.441 201 HB VAL 29 HB VAL 29 -14.412 -20.238 3.419 202 HG11 VAL 29 HG11 VAL 29 -12.844 -18.511 2.633 203 HG12 VAL 29 HG12 VAL 29 -13.641 -17.332 3.674 204 HG13 VAL 29 HG13 VAL 29 -14.526 -18.071 2.338 205 HG21 VAL 29 HG21 VAL 29 -13.468 -20.554 5.655 206 HG22 VAL 29 HG22 VAL 29 -12.955 -18.867 5.686 207 HG23 VAL 29 HG23 VAL 29 -12.234 -19.986 4.528 208 H VAL 30 HN VAL 30 -16.398 -16.649 4.085 209 HA VAL 30 HA VAL 30 -18.277 -17.739 2.110 210 HB VAL 30 HB VAL 30 -20.105 -16.356 2.866 211 HG11 VAL 30 HG11 VAL 30 -19.997 -18.571 3.809 212 HG12 VAL 30 HG12 VAL 30 -20.609 -17.444 5.022 213 HG13 VAL 30 HG13 VAL 30 -18.938 -18.007 5.104 214 HG21 VAL 30 HG21 VAL 30 -18.328 -15.478 5.152 215 HG22 VAL 30 HG22 VAL 30 -20.025 -15.045 4.914 216 HG23 VAL 30 HG23 VAL 30 -18.805 -14.480 3.777 217 H ARG 31 HN ARG 31 -19.222 -16.135 0.712 218 HA ARG 31 HA ARG 31 -18.183 -13.454 0.672 219 HB2 ARG 31 HB2 ARG 31 -16.970 -13.581 -1.447 220 HB3 ARG 31 HB1 ARG 31 -16.237 -14.662 -0.269 221 HG2 ARG 31 HG2 ARG 31 -17.388 -16.564 -1.296 222 HG3 ARG 31 HG1 ARG 31 -18.118 -15.481 -2.480 223 HD2 ARG 31 HD2 ARG 31 -15.883 -14.897 -3.315 224 HD3 ARG 31 HD1 ARG 31 -15.162 -15.994 -2.134 225 HE ARG 31 HE ARG 31 -17.113 -17.131 -3.979 226 HH11 ARG 31 HH11 ARG 31 -13.747 -16.668 -3.172 227 HH12 ARG 31 HH12 ARG 31 -13.197 -18.012 -4.116 228 HH21 ARG 31 HH21 ARG 31 -16.415 -18.877 -5.243 229 HH22 ARG 31 HH22 ARG 31 -14.720 -19.241 -5.350 230 H ASN 32 HN ASN 32 -19.116 -12.187 -1.108 231 HA ASN 32 HA ASN 32 -20.873 -13.572 -2.961 232 HB2 ASN 32 HB2 ASN 32 -22.800 -12.071 -2.484 233 HB3 ASN 32 HB1 ASN 32 -22.416 -13.113 -1.119 234 HD21 ASN 32 HD21 ASN 32 -22.391 -9.841 -2.327 235 HD22 ASN 32 HD22 ASN 32 -22.082 -9.077 -0.810 236 H ASN 33 HN ASN 33 -20.967 -12.579 -4.877 237 HA ASN 33 HA ASN 33 -20.324 -11.252 -6.603 238 HB2 ASN 33 HB2 ASN 33 -21.588 -9.302 -4.686 239 HB3 ASN 33 HB1 ASN 33 -21.162 -8.869 -6.338 240 HD21 ASN 33 HD21 ASN 33 -23.776 -9.026 -4.996 241 HD22 ASN 33 HD22 ASN 33 -24.727 -10.089 -5.973 242 H GLU 34 HN GLU 34 -18.257 -11.248 -4.152 243 HA GLU 34 HA GLU 34 -16.830 -8.803 -4.989 244 HB2 GLU 34 HB2 GLU 34 -15.798 -8.769 -2.779 245 HB3 GLU 34 HB1 GLU 34 -17.552 -8.763 -2.648 246 HG2 GLU 34 HG2 GLU 34 -17.441 -11.238 -2.227 247 HG3 GLU 34 HG1 GLU 34 -15.685 -11.075 -2.144 248 H GLY 35 HN GLY 35 -16.542 -12.252 -4.444 249 HA2 GLY 35 HA2 GLY 35 -14.979 -13.728 -5.313 250 HA3 GLY 35 HA1 GLY 35 -14.099 -12.365 -5.988 251 H GLN 36 HN GLN 36 -14.143 -11.084 -3.262 252 HA GLN 36 HA GLN 36 -11.696 -12.143 -2.241 253 HB2 GLN 36 HB2 GLN 36 -13.611 -10.068 -1.143 254 HB3 GLN 36 HB1 GLN 36 -12.050 -10.445 -0.426 255 HG2 GLN 36 HG2 GLN 36 -10.908 -9.695 -2.424 256 HG3 GLN 36 HG1 GLN 36 -12.449 -9.421 -3.233 257 HE21 GLN 36 HE21 GLN 36 -11.923 -7.253 -3.583 258 HE22 GLN 36 HE22 GLN 36 -11.981 -6.085 -2.309 259 H TYR 37 HN TYR 37 -11.645 -12.464 0.304 260 HA TYR 37 HA TYR 37 -13.701 -14.497 0.845 261 HB2 TYR 37 HB2 TYR 37 -10.746 -14.491 1.376 262 HB3 TYR 37 HB1 TYR 37 -11.821 -15.478 2.366 263 HD1 TYR 37 HD2 TYR 37 -13.787 -16.466 0.617 264 HD2 TYR 37 HD1 TYR 37 -9.643 -15.890 -0.172 265 HE1 TYR 37 HE2 TYR 37 -13.888 -18.193 -1.133 266 HE2 TYR 37 HE1 TYR 37 -9.730 -17.620 -1.925 267 HH TYR 37 HH TYR 37 -11.194 -19.637 -2.453 268 H SER 38 HN SER 38 -14.789 -14.507 2.651 269 HA SER 38 HA SER 38 -13.851 -12.947 4.932 270 HB2 SER 38 HB2 SER 38 -16.709 -12.937 3.902 271 HB3 SER 38 HB1 SER 38 -16.118 -12.090 5.334 272 HG SER 38 HG SER 38 -14.593 -11.410 3.255 273 H VAL 39 HN VAL 39 -15.568 -13.584 6.855 274 HA VAL 39 HA VAL 39 -15.982 -16.499 6.680 275 HB VAL 39 HB VAL 39 -15.412 -16.647 9.129 276 HG11 VAL 39 HG11 VAL 39 -13.001 -16.731 8.758 277 HG12 VAL 39 HG12 VAL 39 -13.172 -15.741 7.308 278 HG13 VAL 39 HG13 VAL 39 -13.858 -17.366 7.350 279 HG21 VAL 39 HG21 VAL 39 -14.248 -13.889 8.674 280 HG22 VAL 39 HG22 VAL 39 -14.060 -14.869 10.129 281 HG23 VAL 39 HG23 VAL 39 -15.652 -14.260 9.676 282 H TRP 40 HN TRP 40 -17.620 -17.358 8.011 283 HA TRP 40 HA TRP 40 -19.568 -15.513 9.170 284 HB2 TRP 40 HB2 TRP 40 -20.290 -15.722 6.852 285 HB3 TRP 40 HB1 TRP 40 -20.168 -17.473 6.939 286 HD1 TRP 40 HD1 TRP 40 -22.309 -18.749 7.617 287 HE1 TRP 40 HE1 TRP 40 -24.651 -18.061 8.421 288 HE3 TRP 40 HE3 TRP 40 -21.473 -13.769 8.384 289 HZ2 TRP 40 HZ2 TRP 40 -25.966 -15.727 9.304 290 HZ3 TRP 40 HZ3 TRP 40 -23.326 -12.372 9.216 291 HH2 TRP 40 HH2 TRP 40 -25.528 -13.334 9.662 292 H MET 41 HN MET 41 -21.147 -16.670 10.511 293 HA MET 41 HA MET 41 -19.816 -18.821 11.923 294 HB2 MET 41 HB2 MET 41 -21.079 -16.774 12.921 295 HB3 MET 41 HB1 MET 41 -22.534 -17.705 12.603 296 HG2 MET 41 HG2 MET 41 -21.678 -19.512 14.023 297 HG3 MET 41 HG1 MET 41 -20.232 -18.556 14.352 298 HE1 MET 41 HE1 MET 41 -20.291 -18.267 16.874 299 HE2 MET 41 HE2 MET 41 -21.520 -19.532 16.864 300 HE3 MET 41 HE3 MET 41 -21.774 -18.064 17.807 301 H ASP 42 HN ASP 42 -20.210 -20.929 11.568 302 HA ASP 42 HA ASP 42 -22.077 -21.738 9.579 303 HB2 ASP 42 HB2 ASP 42 -19.945 -22.937 9.936 304 HB3 ASP 42 HB1 ASP 42 -20.510 -23.465 11.519 305 H GLY 43 HN GLY 43 -23.748 -23.396 9.895 306 HA2 GLY 43 HA2 GLY 43 -25.532 -24.302 11.171 307 HA3 GLY 43 HA1 GLY 43 -25.122 -23.207 12.488 308 H ARG 44 HN ARG 44 -24.844 -21.015 10.424 309 HA ARG 44 HA ARG 44 -27.713 -20.454 10.046 310 HB2 ARG 44 HB2 ARG 44 -25.382 -18.511 10.179 311 HB3 ARG 44 HB1 ARG 44 -27.060 -18.066 9.906 312 HG2 ARG 44 HG2 ARG 44 -26.720 -17.599 12.158 313 HG3 ARG 44 HG1 ARG 44 -27.531 -19.164 12.177 314 HD2 ARG 44 HD2 ARG 44 -24.768 -19.718 12.038 315 HD3 ARG 44 HD1 ARG 44 -24.944 -18.429 13.224 316 HE ARG 44 HE ARG 44 -26.771 -20.663 13.532 317 HH11 ARG 44 HH11 ARG 44 -23.726 -19.232 14.536 318 HH12 ARG 44 HH12 ARG 44 -23.584 -20.228 15.950 319 HH21 ARG 44 HH21 ARG 44 -26.567 -21.969 15.393 320 HH22 ARG 44 HH22 ARG 44 -25.197 -21.772 16.440 321 H SER 45 HN SER 45 -28.158 -21.256 8.055 322 HA SER 45 HA SER 45 -26.376 -21.313 5.873 323 HB2 SER 45 HB2 SER 45 -29.406 -21.368 5.779 324 HB3 SER 45 HB1 SER 45 -28.301 -21.982 4.548 325 HG SER 45 HG SER 45 -27.753 -23.645 5.839 326 H LEU 46 HN LEU 46 -25.840 -19.855 4.417 327 HA LEU 46 HA LEU 46 -26.310 -17.156 4.800 328 HB2 LEU 46 HB2 LEU 46 -25.095 -18.823 2.669 329 HB3 LEU 46 HB1 LEU 46 -25.525 -17.195 2.235 330 HG LEU 46 HG LEU 46 -23.237 -17.147 2.838 331 HD11 LEU 46 HD11 LEU 46 -24.527 -15.265 3.709 332 HD12 LEU 46 HD12 LEU 46 -23.158 -15.654 4.749 333 HD13 LEU 46 HD13 LEU 46 -24.788 -16.138 5.218 334 HD21 LEU 46 HD21 LEU 46 -24.015 -18.605 5.349 335 HD22 LEU 46 HD22 LEU 46 -22.404 -17.991 4.967 336 HD23 LEU 46 HD23 LEU 46 -23.120 -19.257 3.976 337 HA PRO 47 HA PRO 47 -30.084 -16.183 2.493 338 HB2 PRO 47 HB2 PRO 47 -28.608 -13.660 1.960 339 HB3 PRO 47 HB1 PRO 47 -30.211 -13.898 2.665 340 HG2 PRO 47 HG2 PRO 47 -28.108 -13.161 4.164 341 HG3 PRO 47 HG1 PRO 47 -29.372 -14.236 4.791 342 HD2 PRO 47 HD2 PRO 47 -26.608 -14.902 3.859 343 HD3 PRO 47 HD1 PRO 47 -27.563 -15.612 5.178 344 H ALA 48 HN ALA 48 -30.603 -16.254 0.346 345 HA ALA 48 HA ALA 48 -28.853 -17.242 -1.552 346 HB1 ALA 48 HB1 ALA 48 -31.342 -15.611 -2.106 347 HB2 ALA 48 HB2 ALA 48 -31.322 -17.334 -1.733 348 HB3 ALA 48 HB3 ALA 48 -30.560 -16.744 -3.210 349 H GLY 49 HN GLY 49 -27.349 -16.361 -2.856 350 HA2 GLY 49 HA2 GLY 49 -26.579 -14.459 -4.209 351 HA3 GLY 49 HA1 GLY 49 -27.112 -13.410 -2.901 352 H TRP 50 HN TRP 50 -26.110 -15.191 -0.792 353 HA TRP 50 HA TRP 50 -23.257 -14.575 -0.945 354 HB2 TRP 50 HB2 TRP 50 -24.949 -15.857 1.210 355 HB3 TRP 50 HB1 TRP 50 -23.222 -15.587 1.382 356 HD1 TRP 50 HD1 TRP 50 -26.373 -13.413 0.627 357 HE1 TRP 50 HE1 TRP 50 -26.120 -11.196 1.913 358 HE3 TRP 50 HE3 TRP 50 -21.770 -14.211 2.700 359 HZ2 TRP 50 HZ2 TRP 50 -24.216 -9.957 3.596 360 HZ3 TRP 50 HZ3 TRP 50 -20.804 -12.467 4.141 361 HH2 TRP 50 HH2 TRP 50 -22.003 -10.383 4.578 362 H GLU 51 HN GLU 51 -21.722 -16.401 -0.243 363 HA GLU 51 HA GLU 51 -22.692 -19.079 -0.839 364 HB2 GLU 51 HB2 GLU 51 -21.121 -19.603 -2.537 365 HB3 GLU 51 HB1 GLU 51 -21.844 -18.073 -3.017 366 HG2 GLU 51 HG2 GLU 51 -19.870 -16.911 -2.043 367 HG3 GLU 51 HG1 GLU 51 -19.140 -18.485 -1.759 368 H THR 52 HN THR 52 -21.524 -20.682 0.067 369 HA THR 52 HA THR 52 -19.582 -19.923 2.115 370 HB THR 52 HB THR 52 -19.962 -22.352 2.867 371 HG1 THR 52 HG1 THR 52 -20.963 -23.109 0.958 372 HG21 THR 52 HG21 THR 52 -20.933 -20.467 4.065 373 HG22 THR 52 HG22 THR 52 -22.080 -21.804 3.996 374 HG23 THR 52 HG23 THR 52 -22.282 -20.415 2.928 375 H VAL 53 HN VAL 53 -17.703 -21.167 2.423 376 HA VAL 53 HA VAL 53 -16.635 -22.904 0.426 377 HB VAL 53 HB VAL 53 -14.616 -21.218 0.077 378 HG11 VAL 53 HG11 VAL 53 -17.192 -20.958 -1.488 379 HG12 VAL 53 HG12 VAL 53 -15.949 -22.184 -1.739 380 HG13 VAL 53 HG13 VAL 53 -15.587 -20.486 -2.048 381 HG21 VAL 53 HG21 VAL 53 -15.494 -19.436 1.486 382 HG22 VAL 53 HG22 VAL 53 -16.935 -19.323 0.475 383 HG23 VAL 53 HG23 VAL 53 -15.356 -18.894 -0.185 384 H GLY 54 HN GLY 54 -14.277 -23.304 0.891 385 HA2 GLY 54 HA2 GLY 54 -12.566 -23.763 2.386 386 HA3 GLY 54 HA1 GLY 54 -13.412 -22.830 3.613 387 H GLU 55 HN GLU 55 -12.382 -25.036 4.569 388 HA GLU 55 HA GLU 55 -14.598 -26.964 4.743 389 HB2 GLU 55 HB2 GLU 55 -12.349 -27.906 4.286 390 HB3 GLU 55 HB1 GLU 55 -11.745 -27.166 5.759 391 HG2 GLU 55 HG2 GLU 55 -13.119 -28.593 7.117 392 HG3 GLU 55 HG1 GLU 55 -13.924 -29.246 5.689 393 HA PRO 56 HA PRO 56 -15.959 -24.492 8.089 394 HB2 PRO 56 HB2 PRO 56 -17.444 -26.384 9.460 395 HB3 PRO 56 HB1 PRO 56 -18.012 -25.468 8.064 396 HG2 PRO 56 HG2 PRO 56 -16.881 -28.241 8.181 397 HG3 PRO 56 HG1 PRO 56 -18.250 -27.626 7.235 398 HD2 PRO 56 HD2 PRO 56 -15.878 -28.037 6.098 399 HD3 PRO 56 HD1 PRO 56 -16.864 -26.644 5.644 400 H ALA 57 HN ALA 57 -14.898 -23.825 9.791 401 HA ALA 57 HA ALA 57 -13.884 -25.650 11.812 402 HB1 ALA 57 HB1 ALA 57 -12.052 -25.672 10.232 403 HB2 ALA 57 HB2 ALA 57 -11.578 -24.713 11.634 404 HB3 ALA 57 HB3 ALA 57 -12.061 -23.911 10.139 405 H THR 58 HN THR 58 -13.110 -24.409 13.725 406 HA THR 58 HA THR 58 -15.045 -22.459 14.356 407 HB THR 58 HB THR 58 -14.002 -23.983 16.019 408 HG1 THR 58 HG1 THR 58 -14.830 -22.504 17.278 409 HG21 THR 58 HG21 THR 58 -11.835 -23.442 16.984 410 HG22 THR 58 HG22 THR 58 -11.639 -22.102 15.855 411 HG23 THR 58 HG23 THR 58 -11.658 -23.760 15.257 412 H LYS 59 HN LYS 59 -14.347 -20.344 15.485 413 HA LYS 59 HA LYS 59 -13.866 -18.485 13.561 414 HB2 LYS 59 HB2 LYS 59 -14.784 -17.876 15.706 415 HB3 LYS 59 HB1 LYS 59 -13.288 -18.296 16.523 416 HG2 LYS 59 HG2 LYS 59 -13.475 -15.908 16.396 417 HG3 LYS 59 HG1 LYS 59 -12.158 -16.434 15.350 418 HD2 LYS 59 HD2 LYS 59 -13.543 -16.151 13.382 419 HD3 LYS 59 HD1 LYS 59 -14.953 -15.790 14.382 420 HE2 LYS 59 HE2 LYS 59 -13.856 -13.766 15.215 421 HE3 LYS 59 HE1 LYS 59 -12.427 -14.133 14.249 422 HZ1 LYS 59 HZ1 LYS 59 -15.118 -13.681 13.081 423 HZ2 LYS 59 HZ2 LYS 59 -13.639 -13.773 12.256 424 HZ3 LYS 59 HZ3 LYS 59 -13.963 -12.460 13.264 425 H GLN 60 HN GLN 60 -11.380 -19.481 15.936 426 HA GLN 60 HA GLN 60 -9.295 -17.948 14.924 427 HB2 GLN 60 HB2 GLN 60 -9.224 -20.584 16.397 428 HB3 GLN 60 HB1 GLN 60 -7.773 -19.678 15.999 429 HG2 GLN 60 HG2 GLN 60 -8.346 -19.219 18.265 430 HG3 GLN 60 HG1 GLN 60 -8.662 -17.771 17.315 431 HE21 GLN 60 HE21 GLN 60 -10.101 -20.430 19.048 432 HE22 GLN 60 HE22 GLN 60 -11.681 -19.742 19.187 433 H GLN 61 HN GLN 61 -10.359 -21.168 13.987 434 HA GLN 61 HA GLN 61 -8.103 -21.684 12.296 435 HB2 GLN 61 HB2 GLN 61 -10.793 -23.065 12.506 436 HB3 GLN 61 HB1 GLN 61 -9.421 -23.671 11.583 437 HG2 GLN 61 HG2 GLN 61 -8.125 -23.953 13.593 438 HG3 GLN 61 HG1 GLN 61 -9.385 -23.189 14.561 439 HE21 GLN 61 HE21 GLN 61 -8.184 -25.850 14.787 440 HE22 GLN 61 HE22 GLN 61 -9.491 -26.977 14.676 441 H CYS 62 HN CYS 62 -11.389 -20.509 11.833 442 HA CYS 62 HA CYS 62 -11.470 -20.703 9.009 443 HB2 CYS 62 HB2 CYS 62 -13.411 -20.409 10.686 444 HB3 CYS 62 HB1 CYS 62 -13.039 -18.693 10.618 445 HG CYS 62 HG CYS 62 -14.659 -20.610 8.431 446 H LEU 63 HN LEU 63 -10.845 -17.905 11.172 447 HA LEU 63 HA LEU 63 -10.308 -16.091 9.075 448 HB2 LEU 63 HB2 LEU 63 -9.200 -14.674 10.803 449 HB3 LEU 63 HB1 LEU 63 -10.824 -15.186 11.224 450 HG LEU 63 HG LEU 63 -9.541 -17.074 12.567 451 HD11 LEU 63 HD11 LEU 63 -7.441 -16.281 13.534 452 HD12 LEU 63 HD12 LEU 63 -7.471 -14.878 12.466 453 HD13 LEU 63 HD13 LEU 63 -7.300 -16.496 11.790 454 HD21 LEU 63 HD21 LEU 63 -9.754 -14.214 13.512 455 HD22 LEU 63 HD22 LEU 63 -9.578 -15.630 14.550 456 HD23 LEU 63 HD23 LEU 63 -11.029 -15.434 13.567 457 H GLN 64 HN GLN 64 -8.207 -18.187 10.979 458 HA GLN 64 HA GLN 64 -5.760 -17.296 9.922 459 HB2 GLN 64 HB2 GLN 64 -5.989 -18.656 11.975 460 HB3 GLN 64 HB1 GLN 64 -6.483 -20.034 11.000 461 HG2 GLN 64 HG2 GLN 64 -4.284 -20.024 9.899 462 HG3 GLN 64 HG1 GLN 64 -3.795 -18.663 10.908 463 HE21 GLN 64 HE21 GLN 64 -5.217 -19.722 13.265 464 HE22 GLN 64 HE22 GLN 64 -4.246 -21.028 13.848 465 H ARG 65 HN ARG 65 -8.116 -19.639 8.804 466 HA ARG 65 HA ARG 65 -6.494 -20.999 6.963 467 HB2 ARG 65 HB2 ARG 65 -8.723 -21.785 7.794 468 HB3 ARG 65 HB1 ARG 65 -9.489 -20.564 6.786 469 HG2 ARG 65 HG2 ARG 65 -8.821 -21.638 4.795 470 HG3 ARG 65 HG1 ARG 65 -7.676 -22.681 5.646 471 HD2 ARG 65 HD2 ARG 65 -9.773 -23.566 6.892 472 HD3 ARG 65 HD1 ARG 65 -10.679 -22.819 5.576 473 HE ARG 65 HE ARG 65 -9.148 -24.267 4.098 474 HH11 ARG 65 HH11 ARG 65 -10.337 -25.208 7.265 475 HH12 ARG 65 HH12 ARG 65 -10.210 -26.908 6.956 476 HH21 ARG 65 HH21 ARG 65 -9.007 -26.499 3.673 477 HH22 ARG 65 HH22 ARG 65 -9.479 -27.644 4.897 478 H ILE 66 HN ILE 66 -8.732 -18.257 6.479 479 HA ILE 66 HA ILE 66 -8.043 -18.012 3.703 480 HB ILE 66 HB ILE 66 -9.293 -15.844 3.809 481 HG12 ILE 66 HG12 ILE 66 -9.879 -16.669 6.670 482 HG13 ILE 66 HG11 ILE 66 -8.799 -15.356 6.216 483 HG21 ILE 66 HG21 ILE 66 -11.483 -16.889 4.116 484 HG22 ILE 66 HG22 ILE 66 -10.719 -18.267 4.909 485 HG23 ILE 66 HG23 ILE 66 -10.390 -17.931 3.207 486 HD11 ILE 66 HD11 ILE 66 -10.978 -14.524 6.886 487 HD12 ILE 66 HD12 ILE 66 -11.751 -15.496 5.633 488 HD13 ILE 66 HD13 ILE 66 -10.670 -14.174 5.186 489 H GLU 67 HN GLU 67 -7.085 -16.328 6.664 490 HA GLU 67 HA GLU 67 -5.726 -14.207 5.411 491 HB2 GLU 67 HB2 GLU 67 -5.491 -15.371 8.178 492 HB3 GLU 67 HB1 GLU 67 -4.618 -13.931 7.662 493 HG2 GLU 67 HG2 GLU 67 -7.613 -14.278 7.735 494 HG3 GLU 67 HG1 GLU 67 -6.639 -13.324 8.849 495 H GLN 68 HN GLN 68 -4.612 -17.413 6.432 496 HA GLN 68 HA GLN 68 -1.857 -16.784 5.825 497 HB2 GLN 68 HB2 GLN 68 -3.192 -19.437 6.404 498 HB3 GLN 68 HB1 GLN 68 -1.457 -19.208 6.220 499 HG2 GLN 68 HG2 GLN 68 -3.197 -17.952 8.340 500 HG3 GLN 68 HG1 GLN 68 -2.095 -19.308 8.568 501 HE21 GLN 68 HE21 GLN 68 -2.181 -16.643 9.820 502 HE22 GLN 68 HE22 GLN 68 -0.620 -15.955 9.548 503 H LEU 69 HN LEU 69 -4.399 -17.175 3.853 504 HA LEU 69 HA LEU 69 -2.889 -18.584 1.755 505 HB2 LEU 69 HB2 LEU 69 -5.841 -17.963 1.923 506 HB3 LEU 69 HB1 LEU 69 -5.063 -18.702 0.538 507 HG LEU 69 HG LEU 69 -5.331 -19.892 3.300 508 HD11 LEU 69 HD11 LEU 69 -7.372 -19.972 1.958 509 HD12 LEU 69 HD12 LEU 69 -6.686 -21.580 2.177 510 HD13 LEU 69 HD13 LEU 69 -6.484 -20.738 0.640 511 HD21 LEU 69 HD21 LEU 69 -3.159 -20.478 2.372 512 HD22 LEU 69 HD22 LEU 69 -3.925 -21.010 0.875 513 HD23 LEU 69 HD23 LEU 69 -4.230 -21.879 2.379 514 H TRP 70 HN TRP 70 -5.229 -15.926 1.940 515 HA TRP 70 HA TRP 70 -4.169 -14.739 -0.485 516 HB2 TRP 70 HB2 TRP 70 -6.617 -14.919 -0.037 517 HB3 TRP 70 HB1 TRP 70 -6.426 -13.823 1.324 518 HD1 TRP 70 HD1 TRP 70 -5.882 -11.220 0.722 519 HE1 TRP 70 HE1 TRP 70 -6.433 -9.841 -1.380 520 HE3 TRP 70 HE3 TRP 70 -6.843 -15.051 -2.534 521 HZ2 TRP 70 HZ2 TRP 70 -7.168 -10.313 -4.064 522 HZ3 TRP 70 HZ3 TRP 70 -7.464 -14.499 -4.851 523 HH2 TRP 70 HH2 TRP 70 -7.624 -12.178 -5.598 524 H THR 71 HN THR 71 -4.506 -13.885 2.924 525 HA THR 71 HA THR 71 -3.241 -11.314 2.570 526 HB THR 71 HB THR 71 -4.216 -12.602 5.132 527 HG1 THR 71 HG1 THR 71 -6.199 -12.037 4.569 528 HG21 THR 71 HG21 THR 71 -3.786 -9.714 4.346 529 HG22 THR 71 HG22 THR 71 -2.794 -10.645 5.468 530 HG23 THR 71 HG23 THR 71 -4.469 -10.269 5.874 531 H ASP 72 HN ASP 72 -2.106 -14.424 3.053 532 HA ASP 72 HA ASP 72 -0.659 -14.574 5.316 533 HB2 ASP 72 HB2 ASP 72 0.681 -16.267 4.356 534 HB3 ASP 72 HB1 ASP 72 -0.868 -16.348 3.527 535 H MET 73 HN MET 73 0.471 -12.939 2.371 536 HA MET 73 HA MET 73 3.117 -12.520 3.293 537 HB2 MET 73 HB2 MET 73 1.554 -11.018 1.175 538 HB3 MET 73 HB1 MET 73 3.281 -10.847 1.458 539 HG2 MET 73 HG2 MET 73 3.564 -13.251 0.936 540 HG3 MET 73 HG1 MET 73 1.846 -13.340 0.554 541 HE1 MET 73 HE1 MET 73 1.671 -10.852 -2.537 542 HE2 MET 73 HE2 MET 73 1.517 -10.383 -0.844 543 HE3 MET 73 HE3 MET 73 0.727 -11.847 -1.428 544 H VAL 74 HN VAL 74 2.862 -11.818 5.379 545 HA VAL 74 HA VAL 74 1.487 -9.433 6.108 546 HB VAL 74 HB VAL 74 1.739 -11.137 7.771 547 HG11 VAL 74 HG11 VAL 74 3.688 -12.287 6.940 548 HG12 VAL 74 HG12 VAL 74 3.952 -11.848 8.630 549 HG13 VAL 74 HG13 VAL 74 4.719 -10.913 7.347 550 HG21 VAL 74 HG21 VAL 74 1.824 -8.843 8.633 551 HG22 VAL 74 HG22 VAL 74 3.584 -8.854 8.503 552 HG23 VAL 74 HG23 VAL 74 2.776 -9.941 9.634 553 HA PRO 75 HA PRO 75 4.573 -6.476 4.863 554 HB2 PRO 75 HB2 PRO 75 3.449 -4.666 6.905 555 HB3 PRO 75 HB1 PRO 75 3.474 -4.493 5.147 556 HG2 PRO 75 HG2 PRO 75 1.209 -5.019 6.509 557 HG3 PRO 75 HG1 PRO 75 1.498 -5.652 4.876 558 HD2 PRO 75 HD2 PRO 75 1.737 -7.038 7.525 559 HD3 PRO 75 HD1 PRO 75 1.079 -7.646 5.990 560 H ALA 76 HN ALA 76 5.753 -4.534 6.342 561 HA ALA 76 HA ALA 76 7.871 -5.799 7.621 562 HB1 ALA 76 HB1 ALA 76 6.918 -2.966 8.050 563 HB2 ALA 76 HB2 ALA 76 7.967 -3.508 6.738 564 HB3 ALA 76 HB3 ALA 76 8.531 -3.588 8.408 565 H SER 77 HN SER 77 4.761 -5.059 8.825 566 HA SER 77 HA SER 77 5.153 -4.648 11.525 567 HB2 SER 77 HB2 SER 77 2.837 -5.644 11.743 568 HB3 SER 77 HB1 SER 77 2.981 -4.353 10.552 569 HG SER 77 HG SER 77 2.000 -6.688 10.121 570 H VAL 78 HN VAL 78 5.537 -7.565 9.680 571 HA VAL 78 HA VAL 78 5.281 -9.454 11.761 572 HB VAL 78 HB VAL 78 5.253 -10.148 9.426 573 HG11 VAL 78 HG11 VAL 78 6.888 -8.582 8.512 574 HG12 VAL 78 HG12 VAL 78 7.284 -10.242 8.065 575 HG13 VAL 78 HG13 VAL 78 8.186 -9.435 9.350 576 HG21 VAL 78 HG21 VAL 78 5.865 -11.802 11.122 577 HG22 VAL 78 HG22 VAL 78 7.568 -11.380 10.929 578 HG23 VAL 78 HG23 VAL 78 6.687 -12.126 9.596 579 H ARG 79 HN ARG 79 8.214 -7.898 10.404 580 HA ARG 79 HA ARG 79 9.994 -9.186 12.187 581 HB2 ARG 79 HB2 ARG 79 11.667 -7.582 11.431 582 HB3 ARG 79 HB1 ARG 79 10.775 -8.263 10.076 583 HG2 ARG 79 HG2 ARG 79 9.504 -6.271 9.808 584 HG3 ARG 79 HG1 ARG 79 10.130 -5.601 11.313 585 HD2 ARG 79 HD2 ARG 79 11.252 -4.581 9.468 586 HD3 ARG 79 HD1 ARG 79 12.394 -5.601 10.327 587 HE ARG 79 HE ARG 79 11.070 -6.781 8.017 588 HH11 ARG 79 HH11 ARG 79 13.935 -5.282 9.341 589 HH12 ARG 79 HH12 ARG 79 14.951 -5.739 8.013 590 HH21 ARG 79 HH21 ARG 79 12.405 -7.411 6.263 591 HH22 ARG 79 HH22 ARG 79 14.077 -6.947 6.256 592 H GLU 80 HN GLU 80 8.160 -6.224 12.317 593 HA GLU 80 HA GLU 80 9.378 -5.107 14.614 594 HB2 GLU 80 HB2 GLU 80 6.509 -4.795 13.689 595 HB3 GLU 80 HB1 GLU 80 7.380 -3.715 14.769 596 HG2 GLU 80 HG2 GLU 80 7.956 -4.187 11.847 597 HG3 GLU 80 HG1 GLU 80 7.237 -2.747 12.563 598 H HIS 81 HN HIS 81 6.753 -7.383 14.106 599 HA HIS 81 HA HIS 81 5.903 -7.485 16.831 600 HB2 HIS 81 HB2 HIS 81 4.480 -8.057 14.830 601 HB3 HIS 81 HB1 HIS 81 5.416 -9.536 14.654 602 HD1 HIS 81 HD1 HIS 81 2.330 -8.461 15.936 603 HD2 HIS 81 HD2 HIS 81 5.278 -11.015 17.373 604 HE1 HIS 81 HE1 HIS 81 1.192 -9.919 17.638 605 HE2 HIS 81 HE2 HIS 81 3.067 -11.228 18.688 606 H LEU 82 HN LEU 82 8.187 -9.295 14.868 607 HA LEU 82 HA LEU 82 8.430 -11.615 16.399 608 HB2 LEU 82 HB2 LEU 82 10.469 -10.205 14.678 609 HB3 LEU 82 HB1 LEU 82 10.728 -11.794 15.376 610 HG LEU 82 HG LEU 82 8.558 -11.080 13.391 611 HD11 LEU 82 HD11 LEU 82 10.759 -11.093 12.358 612 HD12 LEU 82 HD12 LEU 82 9.828 -12.500 11.843 613 HD13 LEU 82 HD13 LEU 82 11.098 -12.679 13.054 614 HD21 LEU 82 HD21 LEU 82 7.837 -12.844 14.927 615 HD22 LEU 82 HD22 LEU 82 9.305 -13.758 14.579 616 HD23 LEU 82 HD23 LEU 82 8.113 -13.485 13.309 617 H ASN 83 HN ASN 83 9.592 -8.446 17.089 618 HA ASN 83 HA ASN 83 11.793 -9.050 18.722 619 HB2 ASN 83 HB2 ASN 83 9.899 -6.691 18.751 620 HB3 ASN 83 HB1 ASN 83 11.318 -6.794 19.792 621 HD21 ASN 83 HD21 ASN 83 10.161 -6.276 16.582 622 HD22 ASN 83 HD22 ASN 83 11.674 -5.827 15.883 623 H GLN 84 HN GLN 84 8.390 -9.351 19.321 624 HA GLN 84 HA GLN 84 8.968 -9.947 22.154 625 HB2 GLN 84 HB2 GLN 84 6.785 -9.173 22.767 626 HB3 GLN 84 HB1 GLN 84 7.532 -7.927 21.786 627 HG2 GLN 84 HG2 GLN 84 5.372 -7.967 20.985 628 HG3 GLN 84 HG1 GLN 84 6.220 -8.991 19.827 629 HE21 GLN 84 HE21 GLN 84 5.358 -9.990 23.077 630 HE22 GLN 84 HE22 GLN 84 4.176 -11.159 22.607 631 H HIS 85 HN HIS 85 7.742 -11.663 23.120 632 HA HIS 85 HA HIS 85 6.120 -13.383 21.474 633 HB2 HIS 85 HB2 HIS 85 7.567 -15.406 21.823 634 HB3 HIS 85 HB1 HIS 85 8.252 -14.212 20.728 635 HD1 HIS 85 HD1 HIS 85 10.621 -13.688 21.145 636 HD2 HIS 85 HD2 HIS 85 8.742 -15.099 24.573 637 HE1 HIS 85 HE1 HIS 85 12.421 -13.826 22.891 638 HE2 HIS 85 HE2 HIS 85 11.289 -14.789 24.918 639 H SER 86 HN SER 86 6.120 -11.856 24.053 640 HA SER 86 HA SER 86 5.962 -13.795 26.153 641 HB2 SER 86 HB2 SER 86 6.512 -11.439 26.618 642 HB3 SER 86 HB1 SER 86 4.918 -10.948 26.044 643 HG SER 86 HG SER 86 5.591 -11.673 28.481 644 H GLY 87 HN GLY 87 3.818 -13.730 27.513 645 HA2 GLY 87 HA2 GLY 87 1.880 -15.168 26.055 646 HA3 GLY 87 HA1 GLY 87 1.684 -14.557 27.691 647 HA PRO 88 HA PRO 88 -0.998 -11.339 26.176 648 HB2 PRO 88 HB2 PRO 88 -0.247 -9.083 27.445 649 HB3 PRO 88 HB1 PRO 88 -0.931 -10.458 28.325 650 HG2 PRO 88 HG2 PRO 88 1.949 -9.666 27.998 651 HG3 PRO 88 HG1 PRO 88 1.092 -10.177 29.466 652 HD2 PRO 88 HD2 PRO 88 2.652 -11.859 27.991 653 HD3 PRO 88 HD1 PRO 88 1.250 -12.414 28.929 654 H GLY 89 HN GLY 89 1.200 -11.868 24.395 655 HA2 GLY 89 HA2 GLY 89 2.220 -9.305 23.477 656 HA3 GLY 89 HA1 GLY 89 2.563 -10.883 22.786 657 H ILE 90 HN ILE 90 -0.441 -9.074 23.361 658 HA ILE 90 HA ILE 90 -1.526 -9.907 20.837 659 HB ILE 90 HB ILE 90 -2.597 -7.862 22.802 660 HG12 ILE 90 HG12 ILE 90 -3.267 -10.809 22.482 661 HG13 ILE 90 HG11 ILE 90 -2.330 -10.113 23.802 662 HG21 ILE 90 HG21 ILE 90 -4.765 -8.263 21.687 663 HG22 ILE 90 HG22 ILE 90 -3.952 -9.295 20.510 664 HG23 ILE 90 HG23 ILE 90 -3.564 -7.576 20.592 665 HD11 ILE 90 HD11 ILE 90 -4.576 -10.545 24.530 666 HD12 ILE 90 HD12 ILE 90 -5.235 -9.602 23.195 667 HD13 ILE 90 HD13 ILE 90 -4.313 -8.803 24.468 668 H ASP 91 HN ASP 91 -0.556 -9.076 19.099 669 HA ASP 91 HA ASP 91 -0.650 -6.201 18.671 670 HB2 ASP 91 HB2 ASP 91 1.591 -6.451 19.564 671 HB3 ASP 91 HB1 ASP 91 1.910 -7.821 18.505 672 H TYR 92 HN TYR 92 -0.069 -5.713 16.339 673 HA TYR 92 HA TYR 92 -1.882 -7.031 14.711 674 HB2 TYR 92 HB2 TYR 92 0.490 -5.348 13.855 675 HB3 TYR 92 HB1 TYR 92 -0.911 -5.734 12.856 676 HD1 TYR 92 HD1 TYR 92 -3.230 -5.029 13.825 677 HD2 TYR 92 HD2 TYR 92 0.474 -3.370 15.112 678 HE1 TYR 92 HE1 TYR 92 -4.421 -3.075 14.714 679 HE2 TYR 92 HE2 TYR 92 -0.711 -1.408 16.007 680 HH TYR 92 HH TYR 92 -2.902 -0.220 15.591 681 H ALA 93 HN ALA 93 -1.803 -8.592 13.227 682 HA ALA 93 HA ALA 93 0.583 -9.706 12.129 683 HB1 ALA 93 HB1 ALA 93 0.698 -10.777 14.334 684 HB2 ALA 93 HB2 ALA 93 0.339 -11.966 13.082 685 HB3 ALA 93 HB3 ALA 93 -0.948 -11.383 14.136 686 H VAL 94 HN VAL 94 -0.035 -11.662 10.741 687 HA VAL 94 HA VAL 94 -2.360 -10.976 9.233 688 HB VAL 94 HB VAL 94 -0.474 -11.763 8.004 689 HG11 VAL 94 HG11 VAL 94 0.628 -13.086 9.729 690 HG12 VAL 94 HG12 VAL 94 0.473 -14.009 8.234 691 HG13 VAL 94 HG13 VAL 94 -0.613 -14.333 9.588 692 HG21 VAL 94 HG21 VAL 94 -1.430 -13.621 6.706 693 HG22 VAL 94 HG22 VAL 94 -2.629 -12.377 7.061 694 HG23 VAL 94 HG23 VAL 94 -2.626 -13.885 7.976 695 H ARG 95 HN ARG 95 -4.290 -11.384 9.981 696 HA ARG 95 HA ARG 95 -5.471 -13.835 10.365 697 HB2 ARG 95 HB2 ARG 95 -5.844 -13.790 12.878 698 HB3 ARG 95 HB1 ARG 95 -4.247 -14.286 12.345 699 HG2 ARG 95 HG2 ARG 95 -3.566 -12.887 13.978 700 HG3 ARG 95 HG1 ARG 95 -3.772 -11.662 12.731 701 HD2 ARG 95 HD2 ARG 95 -5.970 -12.397 14.665 702 HD3 ARG 95 HD1 ARG 95 -4.761 -11.169 15.031 703 HE ARG 95 HE ARG 95 -5.837 -10.508 12.570 704 HH11 ARG 95 HH11 ARG 95 -6.982 -10.813 15.862 705 HH12 ARG 95 HH12 ARG 95 -8.262 -9.663 15.646 706 HH21 ARG 95 HH21 ARG 95 -7.517 -9.009 12.299 707 HH22 ARG 95 HH22 ARG 95 -8.559 -8.631 13.636 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -10.084 8.273 -15.281 2 H2 MET 1 HT2 MET 1 -8.490 7.932 -15.724 3 H3 MET 1 HT3 MET 1 -8.890 8.150 -14.096 4 HA MET 1 HA MET 1 -9.856 5.962 -15.832 5 HB2 MET 1 HB2 MET 1 -7.870 5.915 -13.539 6 HB3 MET 1 HB1 MET 1 -8.460 4.503 -14.407 7 HG2 MET 1 HG2 MET 1 -6.272 5.071 -15.214 8 HG3 MET 1 HG1 MET 1 -7.456 5.392 -16.478 9 HE1 MET 1 HE1 MET 1 -5.366 8.641 -13.946 10 HE2 MET 1 HE2 MET 1 -5.015 6.915 -13.836 11 HE3 MET 1 HE3 MET 1 -6.563 7.540 -13.265 12 H ALA 2 HN ALA 2 -10.476 4.109 -14.110 13 HA ALA 2 HA ALA 2 -11.994 5.234 -11.874 14 HB1 ALA 2 HB1 ALA 2 -13.552 5.228 -13.774 15 HB2 ALA 2 HB2 ALA 2 -14.042 4.077 -12.531 16 HB3 ALA 2 HB3 ALA 2 -13.262 3.504 -14.006 17 H HIS 3 HN HIS 3 -11.658 2.154 -13.651 18 HA HIS 3 HA HIS 3 -11.153 0.046 -13.008 19 HB2 HIS 3 HB2 HIS 3 -9.500 1.594 -11.018 20 HB3 HIS 3 HB1 HIS 3 -9.522 -0.166 -11.019 21 HD1 HIS 3 HD1 HIS 3 -7.662 -1.146 -12.310 22 HD2 HIS 3 HD2 HIS 3 -8.795 2.561 -13.817 23 HE1 HIS 3 HE1 HIS 3 -6.100 -0.687 -14.225 24 HE2 HIS 3 HE2 HIS 3 -6.708 1.621 -15.022 25 H HIS 4 HN HIS 4 -13.239 -0.562 -12.483 26 HA HIS 4 HA HIS 4 -13.494 -1.404 -9.719 27 HB2 HIS 4 HB2 HIS 4 -15.538 0.382 -11.049 28 HB3 HIS 4 HB1 HIS 4 -15.992 -0.724 -9.756 29 HD1 HIS 4 HD1 HIS 4 -15.773 2.592 -9.905 30 HD2 HIS 4 HD2 HIS 4 -13.544 -0.112 -7.669 31 HE1 HIS 4 HE1 HIS 4 -14.853 3.910 -7.973 32 HE2 HIS 4 HE2 HIS 4 -13.690 2.202 -6.529 33 H HIS 5 HN HIS 5 -13.084 -3.439 -10.635 34 HA HIS 5 HA HIS 5 -15.457 -4.687 -11.804 35 HB2 HIS 5 HB2 HIS 5 -12.675 -4.901 -12.996 36 HB3 HIS 5 HB1 HIS 5 -14.002 -5.983 -13.405 37 HD1 HIS 5 HD1 HIS 5 -15.808 -5.096 -14.988 38 HD2 HIS 5 HD2 HIS 5 -12.907 -2.273 -14.039 39 HE1 HIS 5 HE1 HIS 5 -16.193 -3.179 -16.562 40 HE2 HIS 5 HE2 HIS 5 -14.520 -1.428 -15.877 41 H HIS 6 HN HIS 6 -15.907 -6.577 -10.869 42 HA HIS 6 HA HIS 6 -13.757 -8.071 -9.546 43 HB2 HIS 6 HB2 HIS 6 -15.316 -8.559 -7.622 44 HB3 HIS 6 HB1 HIS 6 -14.720 -6.911 -7.700 45 HD1 HIS 6 HD1 HIS 6 -16.900 -6.666 -6.046 46 HD2 HIS 6 HD2 HIS 6 -17.645 -7.222 -10.096 47 HE1 HIS 6 HE1 HIS 6 -19.265 -5.908 -6.409 48 HE2 HIS 6 HE2 HIS 6 -19.624 -6.083 -8.893 49 H HIS 7 HN HIS 7 -13.713 -9.650 -11.030 50 HA HIS 7 HA HIS 7 -16.076 -10.756 -12.214 51 HB2 HIS 7 HB2 HIS 7 -13.210 -11.742 -12.324 52 HB3 HIS 7 HB1 HIS 7 -14.525 -12.291 -13.358 53 HD1 HIS 7 HD1 HIS 7 -11.830 -9.888 -13.253 54 HD2 HIS 7 HD2 HIS 7 -15.591 -10.065 -15.011 55 HE1 HIS 7 HE1 HIS 7 -11.802 -8.169 -15.082 56 HE2 HIS 7 HE2 HIS 7 -14.001 -8.466 -16.269 57 H HIS 8 HN HIS 8 -17.378 -11.755 -10.744 58 HA HIS 8 HA HIS 8 -16.412 -13.646 -8.818 59 HB2 HIS 8 HB2 HIS 8 -18.492 -12.434 -8.386 60 HB3 HIS 8 HB1 HIS 8 -19.221 -13.102 -9.841 61 HD1 HIS 8 HD1 HIS 8 -20.977 -14.686 -9.096 62 HD2 HIS 8 HD2 HIS 8 -17.542 -15.015 -6.781 63 HE1 HIS 8 HE1 HIS 8 -21.426 -16.562 -7.486 64 HE2 HIS 8 HE2 HIS 8 -19.404 -16.626 -5.986 65 H MET 9 HN MET 9 -15.101 -14.844 -10.377 66 HA MET 9 HA MET 9 -16.356 -16.406 -12.427 67 HB2 MET 9 HB2 MET 9 -13.573 -16.529 -11.242 68 HB3 MET 9 HB1 MET 9 -14.099 -17.462 -12.636 69 HG2 MET 9 HG2 MET 9 -14.454 -15.448 -13.912 70 HG3 MET 9 HG1 MET 9 -14.095 -14.452 -12.503 71 HE1 MET 9 HE1 MET 9 -12.589 -17.060 -15.072 72 HE2 MET 9 HE2 MET 9 -12.259 -17.759 -13.486 73 HE3 MET 9 HE3 MET 9 -10.930 -17.164 -14.481 74 H GLY 10 HN GLY 10 -14.273 -17.726 -9.870 75 HA2 GLY 10 HA2 GLY 10 -15.960 -19.223 -8.370 76 HA3 GLY 10 HA1 GLY 10 -15.813 -20.168 -9.847 77 H THR 11 HN THR 11 -14.464 -19.492 -6.851 78 HA THR 11 HA THR 11 -12.278 -21.328 -7.268 79 HB THR 11 HB THR 11 -11.637 -18.460 -6.473 80 HG1 THR 11 HG1 THR 11 -11.520 -19.831 -8.920 81 HG21 THR 11 HG21 THR 11 -10.178 -20.114 -5.393 82 HG22 THR 11 HG22 THR 11 -9.295 -19.174 -6.596 83 HG23 THR 11 HG23 THR 11 -9.810 -20.818 -6.968 84 H LEU 12 HN LEU 12 -11.352 -22.013 -5.219 85 HA LEU 12 HA LEU 12 -13.197 -21.781 -3.031 86 HB2 LEU 12 HB2 LEU 12 -10.585 -23.254 -3.344 87 HB3 LEU 12 HB1 LEU 12 -11.526 -23.284 -1.862 88 HG LEU 12 HG LEU 12 -12.435 -24.305 -4.555 89 HD11 LEU 12 HD11 LEU 12 -12.402 -26.492 -3.450 90 HD12 LEU 12 HD12 LEU 12 -11.734 -25.746 -1.996 91 HD13 LEU 12 HD13 LEU 12 -10.803 -25.753 -3.495 92 HD21 LEU 12 HD21 LEU 12 -14.428 -25.114 -3.320 93 HD22 LEU 12 HD22 LEU 12 -14.330 -23.356 -3.370 94 HD23 LEU 12 HD23 LEU 12 -13.888 -24.221 -1.897 95 H GLU 13 HN GLU 13 -10.488 -21.928 -1.236 96 HA GLU 13 HA GLU 13 -11.350 -19.645 0.104 97 HB2 GLU 13 HB2 GLU 13 -8.730 -21.102 0.471 98 HB3 GLU 13 HB1 GLU 13 -9.459 -19.995 1.622 99 HG2 GLU 13 HG2 GLU 13 -9.938 -22.113 2.474 100 HG3 GLU 13 HG1 GLU 13 -11.428 -21.615 1.676 101 H ALA 14 HN ALA 14 -9.562 -19.521 -2.683 102 HA ALA 14 HA ALA 14 -7.652 -17.503 -2.058 103 HB1 ALA 14 HB1 ALA 14 -7.455 -18.934 -4.046 104 HB2 ALA 14 HB2 ALA 14 -7.428 -17.222 -4.470 105 HB3 ALA 14 HB3 ALA 14 -8.890 -18.173 -4.734 106 H GLN 15 HN GLN 15 -7.797 -15.291 -2.123 107 HA GLN 15 HA GLN 15 -10.265 -13.967 -2.933 108 HB2 GLN 15 HB2 GLN 15 -10.749 -13.031 -0.769 109 HB3 GLN 15 HB1 GLN 15 -10.622 -14.774 -0.571 110 HG2 GLN 15 HG2 GLN 15 -8.479 -14.602 0.433 111 HG3 GLN 15 HG1 GLN 15 -8.329 -12.906 -0.019 112 HE21 GLN 15 HE21 GLN 15 -7.988 -13.887 2.587 113 HE22 GLN 15 HE22 GLN 15 -9.238 -13.227 3.578 114 H THR 16 HN THR 16 -9.880 -11.534 -1.708 115 HA THR 16 HA THR 16 -7.250 -10.612 -2.640 116 HB THR 16 HB THR 16 -9.558 -8.882 -1.719 117 HG1 THR 16 HG1 THR 16 -9.086 -10.152 -4.193 118 HG21 THR 16 HG21 THR 16 -8.465 -7.169 -3.096 119 HG22 THR 16 HG22 THR 16 -7.201 -8.318 -3.533 120 HG23 THR 16 HG23 THR 16 -7.361 -7.778 -1.863 121 H GLN 17 HN GLN 17 -9.456 -10.241 0.149 122 HA GLN 17 HA GLN 17 -7.500 -10.767 2.094 123 HB2 GLN 17 HB2 GLN 17 -6.664 -8.512 1.462 124 HB3 GLN 17 HB1 GLN 17 -8.243 -7.832 1.839 125 HG2 GLN 17 HG2 GLN 17 -7.982 -8.500 4.175 126 HG3 GLN 17 HG1 GLN 17 -6.416 -9.214 3.801 127 HE21 GLN 17 HE21 GLN 17 -5.661 -7.044 1.984 128 HE22 GLN 17 HE22 GLN 17 -5.286 -5.691 2.992 129 H GLY 18 HN GLY 18 -8.463 -11.000 4.148 130 HA2 GLY 18 HA2 GLY 18 -11.389 -10.523 4.199 131 HA3 GLY 18 HA1 GLY 18 -10.706 -12.080 4.634 132 HA PRO 19 HA PRO 19 -10.121 -8.985 8.270 133 HB2 PRO 19 HB2 PRO 19 -12.231 -7.367 8.673 134 HB3 PRO 19 HB1 PRO 19 -10.928 -6.923 7.566 135 HG2 PRO 19 HG2 PRO 19 -13.635 -8.042 6.950 136 HG3 PRO 19 HG1 PRO 19 -12.739 -6.758 6.116 137 HD2 PRO 19 HD2 PRO 19 -12.860 -9.378 5.256 138 HD3 PRO 19 HD1 PRO 19 -11.552 -8.252 4.848 139 H GLY 20 HN GLY 20 -10.893 -9.401 10.397 140 HA2 GLY 20 HA2 GLY 20 -13.451 -10.508 10.951 141 HA3 GLY 20 HA1 GLY 20 -12.254 -11.787 10.808 142 H SER 21 HN SER 21 -13.836 -10.760 13.106 143 HA SER 21 HA SER 21 -11.783 -9.785 14.932 144 HB2 SER 21 HB2 SER 21 -14.724 -10.370 15.409 145 HB3 SER 21 HB1 SER 21 -13.633 -9.547 16.523 146 HG SER 21 HG SER 21 -14.781 -8.002 15.381 147 H MET 22 HN MET 22 -11.872 -10.878 17.197 148 HA MET 22 HA MET 22 -11.338 -13.716 16.763 149 HB2 MET 22 HB2 MET 22 -10.761 -11.901 19.115 150 HB3 MET 22 HB1 MET 22 -10.360 -13.611 19.070 151 HG2 MET 22 HG2 MET 22 -8.884 -13.221 17.160 152 HG3 MET 22 HG1 MET 22 -9.293 -11.506 17.195 153 HE1 MET 22 HE1 MET 22 -5.564 -11.609 18.471 154 HE2 MET 22 HE2 MET 22 -6.670 -10.895 17.298 155 HE3 MET 22 HE3 MET 22 -6.309 -12.620 17.231 156 H ASP 23 HN ASP 23 -12.981 -15.044 16.989 157 HA ASP 23 HA ASP 23 -14.748 -14.815 19.339 158 HB2 ASP 23 HB2 ASP 23 -15.588 -15.627 16.530 159 HB3 ASP 23 HB1 ASP 23 -16.617 -15.708 17.955 160 H ASP 24 HN ASP 24 -16.119 -17.142 19.135 161 HA ASP 24 HA ASP 24 -14.069 -19.260 18.987 162 HB2 ASP 24 HB2 ASP 24 -14.583 -18.656 21.339 163 HB3 ASP 24 HB1 ASP 24 -16.286 -18.980 21.044 164 H GLU 25 HN GLU 25 -15.235 -21.504 18.979 165 HA GLU 25 HA GLU 25 -16.613 -23.013 18.019 166 HB2 GLU 25 HB2 GLU 25 -18.480 -20.659 17.677 167 HB3 GLU 25 HB1 GLU 25 -18.899 -22.313 17.244 168 HG2 GLU 25 HG2 GLU 25 -18.603 -23.019 19.553 169 HG3 GLU 25 HG1 GLU 25 -18.112 -21.390 20.005 170 H LEU 26 HN LEU 26 -17.579 -23.617 15.843 171 HA LEU 26 HA LEU 26 -15.548 -23.064 13.935 172 HB2 LEU 26 HB2 LEU 26 -18.101 -24.651 13.718 173 HB3 LEU 26 HB1 LEU 26 -16.997 -24.460 12.377 174 HG LEU 26 HG LEU 26 -16.500 -26.555 13.287 175 HD11 LEU 26 HD11 LEU 26 -14.492 -24.612 14.400 176 HD12 LEU 26 HD12 LEU 26 -14.512 -25.317 12.781 177 HD13 LEU 26 HD13 LEU 26 -14.232 -26.345 14.186 178 HD21 LEU 26 HD21 LEU 26 -17.690 -26.385 15.392 179 HD22 LEU 26 HD22 LEU 26 -16.469 -25.279 16.023 180 HD23 LEU 26 HD23 LEU 26 -16.044 -26.955 15.675 181 H TYR 27 HN TYR 27 -15.583 -22.054 12.048 182 HA TYR 27 HA TYR 27 -17.942 -20.556 11.177 183 HB2 TYR 27 HB2 TYR 27 -15.200 -19.471 11.799 184 HB3 TYR 27 HB1 TYR 27 -16.133 -18.745 10.499 185 HD1 TYR 27 HD1 TYR 27 -16.626 -19.754 14.095 186 HD2 TYR 27 HD2 TYR 27 -17.407 -16.902 11.027 187 HE1 TYR 27 HE1 TYR 27 -17.815 -18.333 15.718 188 HE2 TYR 27 HE2 TYR 27 -18.591 -15.485 12.640 189 HH TYR 27 HH TYR 27 -18.473 -16.028 16.013 190 H PHE 28 HN PHE 28 -18.060 -20.304 8.943 191 HA PHE 28 HA PHE 28 -16.045 -21.745 7.357 192 HB2 PHE 28 HB2 PHE 28 -18.930 -21.801 7.261 193 HB3 PHE 28 HB1 PHE 28 -18.329 -21.148 5.742 194 HD1 PHE 28 HD2 PHE 28 -15.749 -22.643 5.584 195 HD2 PHE 28 HD1 PHE 28 -19.671 -23.940 6.574 196 HE1 PHE 28 HE2 PHE 28 -15.193 -24.912 4.860 197 HE2 PHE 28 HE1 PHE 28 -19.067 -26.233 5.855 198 HZ PHE 28 HZ PHE 28 -16.858 -26.696 4.970 199 H VAL 29 HN VAL 29 -15.730 -20.796 5.108 200 HA VAL 29 HA VAL 29 -15.410 -17.886 5.449 201 HB VAL 29 HB VAL 29 -14.014 -19.698 3.462 202 HG11 VAL 29 HG11 VAL 29 -12.481 -17.834 3.163 203 HG12 VAL 29 HG12 VAL 29 -13.402 -16.875 4.322 204 HG13 VAL 29 HG13 VAL 29 -14.136 -17.353 2.792 205 HG21 VAL 29 HG21 VAL 29 -13.371 -20.353 5.722 206 HG22 VAL 29 HG22 VAL 29 -12.988 -18.679 6.118 207 HG23 VAL 29 HG23 VAL 29 -12.028 -19.542 4.913 208 H VAL 30 HN VAL 30 -16.842 -16.650 4.349 209 HA VAL 30 HA VAL 30 -18.243 -17.853 2.038 210 HB VAL 30 HB VAL 30 -20.337 -16.924 2.793 211 HG11 VAL 30 HG11 VAL 30 -18.986 -18.384 5.069 212 HG12 VAL 30 HG12 VAL 30 -19.724 -19.137 3.655 213 HG13 VAL 30 HG13 VAL 30 -20.725 -18.252 4.806 214 HG21 VAL 30 HG21 VAL 30 -20.566 -15.747 4.934 215 HG22 VAL 30 HG22 VAL 30 -19.494 -14.874 3.838 216 HG23 VAL 30 HG23 VAL 30 -18.818 -15.819 5.167 217 H ARG 31 HN ARG 31 -19.391 -16.271 0.677 218 HA ARG 31 HA ARG 31 -18.868 -13.465 0.930 219 HB2 ARG 31 HB2 ARG 31 -17.432 -13.119 -1.002 220 HB3 ARG 31 HB1 ARG 31 -16.625 -14.162 0.160 221 HG2 ARG 31 HG2 ARG 31 -17.091 -16.109 -1.179 222 HG3 ARG 31 HG1 ARG 31 -18.065 -15.155 -2.297 223 HD2 ARG 31 HD2 ARG 31 -16.131 -13.928 -3.029 224 HD3 ARG 31 HD1 ARG 31 -15.127 -14.676 -1.785 225 HE ARG 31 HE ARG 31 -16.371 -16.479 -3.710 226 HH11 ARG 31 HH11 ARG 31 -13.502 -14.671 -2.807 227 HH12 ARG 31 HH12 ARG 31 -12.416 -15.702 -3.677 228 HH21 ARG 31 HH21 ARG 31 -14.933 -17.832 -4.871 229 HH22 ARG 31 HH22 ARG 31 -13.233 -17.503 -4.845 230 H ASN 32 HN ASN 32 -19.650 -12.233 -1.040 231 HA ASN 32 HA ASN 32 -20.991 -13.867 -3.045 232 HB2 ASN 32 HB2 ASN 32 -23.133 -12.779 -2.904 233 HB3 ASN 32 HB1 ASN 32 -22.746 -13.414 -1.315 234 HD21 ASN 32 HD21 ASN 32 -20.945 -11.298 -0.538 235 HD22 ASN 32 HD22 ASN 32 -21.899 -9.887 -0.286 236 H ASN 33 HN ASN 33 -20.978 -13.001 -4.993 237 HA ASN 33 HA ASN 33 -20.114 -11.744 -6.709 238 HB2 ASN 33 HB2 ASN 33 -22.548 -11.136 -6.135 239 HB3 ASN 33 HB1 ASN 33 -21.891 -9.620 -5.529 240 HD21 ASN 33 HD21 ASN 33 -21.084 -8.115 -6.990 241 HD22 ASN 33 HD22 ASN 33 -21.378 -8.229 -8.690 242 H GLU 34 HN GLU 34 -18.442 -11.252 -4.165 243 HA GLU 34 HA GLU 34 -17.595 -8.480 -4.741 244 HB2 GLU 34 HB2 GLU 34 -16.708 -8.444 -2.434 245 HB3 GLU 34 HB1 GLU 34 -18.436 -8.763 -2.480 246 HG2 GLU 34 HG2 GLU 34 -17.905 -11.206 -2.256 247 HG3 GLU 34 HG1 GLU 34 -16.224 -10.749 -1.987 248 H GLY 35 HN GLY 35 -16.463 -11.779 -4.359 249 HA2 GLY 35 HA2 GLY 35 -14.524 -12.692 -5.314 250 HA3 GLY 35 HA1 GLY 35 -13.919 -11.066 -5.599 251 H GLN 36 HN GLN 36 -14.538 -10.346 -2.727 252 HA GLN 36 HA GLN 36 -12.176 -11.534 -1.483 253 HB2 GLN 36 HB2 GLN 36 -14.054 -9.373 -0.472 254 HB3 GLN 36 HB1 GLN 36 -12.606 -9.923 0.360 255 HG2 GLN 36 HG2 GLN 36 -12.010 -7.919 -0.708 256 HG3 GLN 36 HG1 GLN 36 -11.304 -9.208 -1.681 257 HE21 GLN 36 HE21 GLN 36 -11.211 -8.046 -3.574 258 HE22 GLN 36 HE22 GLN 36 -12.616 -7.537 -4.443 259 H TYR 37 HN TYR 37 -12.567 -12.049 1.002 260 HA TYR 37 HA TYR 37 -15.012 -13.698 1.131 261 HB2 TYR 37 HB2 TYR 37 -12.194 -14.322 1.897 262 HB3 TYR 37 HB1 TYR 37 -13.490 -15.014 2.867 263 HD1 TYR 37 HD2 TYR 37 -15.524 -15.899 1.174 264 HD2 TYR 37 HD1 TYR 37 -11.346 -15.822 0.345 265 HE1 TYR 37 HE2 TYR 37 -15.822 -17.685 -0.455 266 HE2 TYR 37 HE1 TYR 37 -11.640 -17.632 -1.289 267 HH TYR 37 HH TYR 37 -13.215 -19.363 -1.856 268 H SER 38 HN SER 38 -15.564 -14.339 3.336 269 HA SER 38 HA SER 38 -14.855 -12.567 5.513 270 HB2 SER 38 HB2 SER 38 -17.336 -12.226 6.031 271 HB3 SER 38 HB1 SER 38 -16.736 -11.331 4.637 272 HG SER 38 HG SER 38 -17.505 -13.382 3.480 273 H VAL 39 HN VAL 39 -16.248 -13.513 7.529 274 HA VAL 39 HA VAL 39 -16.250 -16.440 7.200 275 HB VAL 39 HB VAL 39 -15.426 -16.538 9.612 276 HG11 VAL 39 HG11 VAL 39 -13.568 -15.394 7.508 277 HG12 VAL 39 HG12 VAL 39 -14.020 -17.093 7.661 278 HG13 VAL 39 HG13 VAL 39 -13.079 -16.312 8.933 279 HG21 VAL 39 HG21 VAL 39 -15.863 -14.189 10.195 280 HG22 VAL 39 HG22 VAL 39 -14.672 -13.670 9.003 281 HG23 VAL 39 HG23 VAL 39 -14.161 -14.595 10.414 282 H TRP 40 HN TRP 40 -17.910 -17.504 7.955 283 HA TRP 40 HA TRP 40 -20.109 -15.990 9.218 284 HB2 TRP 40 HB2 TRP 40 -20.267 -16.582 6.731 285 HB3 TRP 40 HB1 TRP 40 -20.351 -18.263 7.229 286 HD1 TRP 40 HD1 TRP 40 -22.702 -19.172 7.903 287 HE1 TRP 40 HE1 TRP 40 -25.055 -18.141 7.979 288 HE3 TRP 40 HE3 TRP 40 -21.438 -14.245 7.375 289 HZ2 TRP 40 HZ2 TRP 40 -26.212 -15.570 7.839 290 HZ3 TRP 40 HZ3 TRP 40 -23.231 -12.560 7.363 291 HH2 TRP 40 HH2 TRP 40 -25.572 -13.211 7.597 292 H MET 41 HN MET 41 -21.129 -16.997 10.938 293 HA MET 41 HA MET 41 -19.730 -19.044 12.287 294 HB2 MET 41 HB2 MET 41 -21.179 -17.342 13.406 295 HB3 MET 41 HB1 MET 41 -22.593 -18.171 12.769 296 HG2 MET 41 HG2 MET 41 -22.035 -20.165 14.031 297 HG3 MET 41 HG1 MET 41 -20.554 -19.406 14.615 298 HE1 MET 41 HE1 MET 41 -21.017 -19.784 17.126 299 HE2 MET 41 HE2 MET 41 -22.445 -20.723 16.683 300 HE3 MET 41 HE3 MET 41 -22.564 -19.464 17.912 301 H ASP 42 HN ASP 42 -19.758 -21.183 12.017 302 HA ASP 42 HA ASP 42 -21.317 -22.452 10.036 303 HB2 ASP 42 HB2 ASP 42 -19.162 -23.377 10.714 304 HB3 ASP 42 HB1 ASP 42 -19.763 -23.650 12.348 305 H GLY 43 HN GLY 43 -23.049 -23.917 10.229 306 HA2 GLY 43 HA2 GLY 43 -24.960 -24.815 11.210 307 HA3 GLY 43 HA1 GLY 43 -24.469 -24.126 12.753 308 H ARG 44 HN ARG 44 -24.350 -21.956 10.155 309 HA ARG 44 HA ARG 44 -27.066 -20.931 10.666 310 HB2 ARG 44 HB2 ARG 44 -25.240 -19.615 11.867 311 HB3 ARG 44 HB1 ARG 44 -24.624 -19.178 10.279 312 HG2 ARG 44 HG2 ARG 44 -26.923 -18.216 9.796 313 HG3 ARG 44 HG1 ARG 44 -27.262 -18.420 11.515 314 HD2 ARG 44 HD2 ARG 44 -25.189 -17.063 11.975 315 HD3 ARG 44 HD1 ARG 44 -25.118 -16.717 10.249 316 HE ARG 44 HE ARG 44 -26.667 -15.367 12.137 317 HH11 ARG 44 HH11 ARG 44 -27.195 -16.812 8.977 318 HH12 ARG 44 HH12 ARG 44 -28.357 -15.622 8.499 319 HH21 ARG 44 HH21 ARG 44 -28.168 -13.809 11.496 320 HH22 ARG 44 HH22 ARG 44 -28.893 -13.899 9.919 321 H SER 45 HN SER 45 -28.174 -20.651 8.806 322 HA SER 45 HA SER 45 -26.956 -21.442 6.348 323 HB2 SER 45 HB2 SER 45 -29.732 -20.347 6.884 324 HB3 SER 45 HB1 SER 45 -29.213 -21.171 5.411 325 HG SER 45 HG SER 45 -28.976 -23.057 6.539 326 H LEU 46 HN LEU 46 -27.111 -20.252 4.340 327 HA LEU 46 HA LEU 46 -26.624 -17.364 4.707 328 HB2 LEU 46 HB2 LEU 46 -24.725 -19.096 4.058 329 HB3 LEU 46 HB1 LEU 46 -25.416 -18.949 2.467 330 HG LEU 46 HG LEU 46 -24.884 -16.597 2.405 331 HD11 LEU 46 HD11 LEU 46 -23.794 -16.939 5.194 332 HD12 LEU 46 HD12 LEU 46 -25.264 -16.066 4.768 333 HD13 LEU 46 HD13 LEU 46 -23.700 -15.480 4.208 334 HD21 LEU 46 HD21 LEU 46 -23.149 -18.141 1.723 335 HD22 LEU 46 HD22 LEU 46 -22.595 -18.286 3.392 336 HD23 LEU 46 HD23 LEU 46 -22.426 -16.752 2.536 337 HA PRO 47 HA PRO 47 -30.094 -16.906 1.989 338 HB2 PRO 47 HB2 PRO 47 -29.750 -14.313 1.233 339 HB3 PRO 47 HB1 PRO 47 -30.310 -14.786 2.841 340 HG2 PRO 47 HG2 PRO 47 -27.555 -14.013 1.952 341 HG3 PRO 47 HG1 PRO 47 -28.436 -13.522 3.410 342 HD2 PRO 47 HD2 PRO 47 -26.548 -15.462 3.445 343 HD3 PRO 47 HD1 PRO 47 -27.967 -15.499 4.513 344 H ALA 48 HN ALA 48 -30.719 -16.602 -0.167 345 HA ALA 48 HA ALA 48 -29.132 -17.727 -2.121 346 HB1 ALA 48 HB1 ALA 48 -30.796 -16.983 -3.726 347 HB2 ALA 48 HB2 ALA 48 -31.418 -15.802 -2.574 348 HB3 ALA 48 HB3 ALA 48 -31.591 -17.526 -2.248 349 H GLY 49 HN GLY 49 -27.571 -17.031 -3.425 350 HA2 GLY 49 HA2 GLY 49 -26.589 -15.324 -4.832 351 HA3 GLY 49 HA1 GLY 49 -27.087 -14.123 -3.645 352 H TRP 50 HN TRP 50 -26.238 -15.899 -1.387 353 HA TRP 50 HA TRP 50 -23.409 -15.147 -1.474 354 HB2 TRP 50 HB2 TRP 50 -25.122 -16.175 0.818 355 HB3 TRP 50 HB1 TRP 50 -23.429 -15.702 0.947 356 HD1 TRP 50 HD1 TRP 50 -26.485 -13.839 -0.609 357 HE1 TRP 50 HE1 TRP 50 -26.505 -11.449 0.349 358 HE3 TRP 50 HE3 TRP 50 -22.458 -14.190 2.517 359 HZ2 TRP 50 HZ2 TRP 50 -25.018 -9.918 2.200 360 HZ3 TRP 50 HZ3 TRP 50 -21.824 -12.222 3.850 361 HH2 TRP 50 HH2 TRP 50 -23.078 -10.129 3.695 362 H GLU 51 HN GLU 51 -21.733 -16.632 -0.865 363 HA GLU 51 HA GLU 51 -22.412 -19.459 -1.338 364 HB2 GLU 51 HB2 GLU 51 -20.460 -19.750 -2.697 365 HB3 GLU 51 HB1 GLU 51 -21.343 -18.368 -3.331 366 HG2 GLU 51 HG2 GLU 51 -19.745 -16.978 -1.854 367 HG3 GLU 51 HG1 GLU 51 -18.758 -18.431 -1.828 368 H THR 52 HN THR 52 -21.479 -20.903 -0.088 369 HA THR 52 HA THR 52 -19.794 -20.028 2.152 370 HB THR 52 HB THR 52 -20.381 -22.403 3.015 371 HG1 THR 52 HG1 THR 52 -22.602 -22.148 1.269 372 HG21 THR 52 HG21 THR 52 -21.343 -20.374 3.992 373 HG22 THR 52 HG22 THR 52 -22.537 -21.668 3.923 374 HG23 THR 52 HG23 THR 52 -22.592 -20.354 2.746 375 H VAL 53 HN VAL 53 -17.741 -20.812 2.397 376 HA VAL 53 HA VAL 53 -16.712 -22.806 0.504 377 HB VAL 53 HB VAL 53 -15.308 -20.138 0.674 378 HG11 VAL 53 HG11 VAL 53 -15.263 -22.328 -1.403 379 HG12 VAL 53 HG12 VAL 53 -14.028 -22.011 -0.184 380 HG13 VAL 53 HG13 VAL 53 -14.328 -20.833 -1.462 381 HG21 VAL 53 HG21 VAL 53 -17.443 -20.818 -1.356 382 HG22 VAL 53 HG22 VAL 53 -16.334 -19.447 -1.458 383 HG23 VAL 53 HG23 VAL 53 -17.502 -19.537 -0.142 384 H GLY 54 HN GLY 54 -14.465 -23.384 1.000 385 HA2 GLY 54 HA2 GLY 54 -12.445 -23.018 2.140 386 HA3 GLY 54 HA1 GLY 54 -13.317 -22.159 3.393 387 H GLU 55 HN GLU 55 -12.769 -23.176 5.129 388 HA GLU 55 HA GLU 55 -13.149 -26.071 5.384 389 HB2 GLU 55 HB2 GLU 55 -10.819 -25.838 4.897 390 HB3 GLU 55 HB1 GLU 55 -10.667 -24.429 5.935 391 HG2 GLU 55 HG2 GLU 55 -11.032 -25.868 7.906 392 HG3 GLU 55 HG1 GLU 55 -11.128 -27.271 6.840 393 HA PRO 56 HA PRO 56 -15.329 -24.249 8.855 394 HB2 PRO 56 HB2 PRO 56 -15.995 -26.568 10.125 395 HB3 PRO 56 HB1 PRO 56 -16.875 -25.940 8.742 396 HG2 PRO 56 HG2 PRO 56 -14.752 -28.055 8.840 397 HG3 PRO 56 HG1 PRO 56 -16.281 -28.049 7.942 398 HD2 PRO 56 HD2 PRO 56 -13.976 -27.470 6.729 399 HD3 PRO 56 HD1 PRO 56 -15.454 -26.630 6.308 400 H ALA 57 HN ALA 57 -14.236 -23.294 10.413 401 HA ALA 57 HA ALA 57 -12.491 -24.754 12.220 402 HB1 ALA 57 HB1 ALA 57 -11.006 -24.359 10.305 403 HB2 ALA 57 HB2 ALA 57 -10.500 -23.417 11.707 404 HB3 ALA 57 HB3 ALA 57 -11.361 -22.632 10.382 405 H THR 58 HN THR 58 -11.833 -23.414 14.042 406 HA THR 58 HA THR 58 -13.856 -21.725 14.943 407 HB THR 58 HB THR 58 -12.272 -22.812 16.490 408 HG1 THR 58 HG1 THR 58 -12.757 -21.275 17.841 409 HG21 THR 58 HG21 THR 58 -10.036 -21.856 16.858 410 HG22 THR 58 HG22 THR 58 -10.277 -20.769 15.491 411 HG23 THR 58 HG23 THR 58 -10.195 -22.510 15.227 412 H LYS 59 HN LYS 59 -13.787 -19.427 15.388 413 HA LYS 59 HA LYS 59 -13.735 -17.941 13.125 414 HB2 LYS 59 HB2 LYS 59 -14.796 -17.221 15.206 415 HB3 LYS 59 HB1 LYS 59 -13.222 -16.955 15.937 416 HG2 LYS 59 HG2 LYS 59 -14.119 -14.837 15.332 417 HG3 LYS 59 HG1 LYS 59 -12.792 -15.193 14.226 418 HD2 LYS 59 HD2 LYS 59 -14.355 -15.833 12.491 419 HD3 LYS 59 HD1 LYS 59 -15.712 -15.645 13.600 420 HE2 LYS 59 HE2 LYS 59 -13.861 -13.410 12.756 421 HE3 LYS 59 HE1 LYS 59 -15.431 -13.737 12.028 422 HZ1 LYS 59 HZ1 LYS 59 -14.949 -12.989 14.864 423 HZ2 LYS 59 HZ2 LYS 59 -16.456 -13.341 14.190 424 HZ3 LYS 59 HZ3 LYS 59 -15.595 -11.992 13.660 425 H GLN 60 HN GLN 60 -11.101 -18.079 15.499 426 HA GLN 60 HA GLN 60 -9.386 -16.228 14.297 427 HB2 GLN 60 HB2 GLN 60 -9.112 -17.118 16.596 428 HB3 GLN 60 HB1 GLN 60 -8.623 -18.667 15.922 429 HG2 GLN 60 HG2 GLN 60 -6.714 -17.517 14.814 430 HG3 GLN 60 HG1 GLN 60 -7.173 -16.038 15.655 431 HE21 GLN 60 HE21 GLN 60 -7.958 -17.544 18.080 432 HE22 GLN 60 HE22 GLN 60 -6.474 -18.001 18.836 433 H GLN 61 HN GLN 61 -9.487 -19.775 13.959 434 HA GLN 61 HA GLN 61 -7.280 -19.875 12.158 435 HB2 GLN 61 HB2 GLN 61 -9.442 -21.931 12.696 436 HB3 GLN 61 HB1 GLN 61 -7.960 -22.232 11.794 437 HG2 GLN 61 HG2 GLN 61 -8.142 -21.468 14.705 438 HG3 GLN 61 HG1 GLN 61 -7.799 -23.076 14.067 439 HE21 GLN 61 HE21 GLN 61 -6.210 -21.368 15.829 440 HE22 GLN 61 HE22 GLN 61 -4.689 -21.153 15.037 441 H CYS 62 HN CYS 62 -10.711 -19.496 11.824 442 HA CYS 62 HA CYS 62 -10.955 -20.192 9.099 443 HB2 CYS 62 HB2 CYS 62 -12.826 -19.970 10.805 444 HB3 CYS 62 HB1 CYS 62 -12.695 -18.227 10.606 445 HG CYS 62 HG CYS 62 -14.179 -20.493 8.663 446 H LEU 63 HN LEU 63 -10.720 -16.984 10.695 447 HA LEU 63 HA LEU 63 -10.393 -15.573 8.240 448 HB2 LEU 63 HB2 LEU 63 -9.608 -13.678 9.672 449 HB3 LEU 63 HB1 LEU 63 -11.184 -14.327 10.101 450 HG LEU 63 HG LEU 63 -9.832 -15.687 11.899 451 HD11 LEU 63 HD11 LEU 63 -7.604 -15.097 11.127 452 HD12 LEU 63 HD12 LEU 63 -7.880 -14.498 12.761 453 HD13 LEU 63 HD13 LEU 63 -7.946 -13.388 11.391 454 HD21 LEU 63 HD21 LEU 63 -10.123 -13.851 13.501 455 HD22 LEU 63 HD22 LEU 63 -11.513 -14.015 12.429 456 HD23 LEU 63 HD23 LEU 63 -10.342 -12.723 12.161 457 H GLN 64 HN GLN 64 -8.198 -17.147 10.437 458 HA GLN 64 HA GLN 64 -5.785 -16.002 9.563 459 HB2 GLN 64 HB2 GLN 64 -6.112 -17.377 11.638 460 HB3 GLN 64 HB1 GLN 64 -6.198 -18.809 10.623 461 HG2 GLN 64 HG2 GLN 64 -3.898 -18.337 9.829 462 HG3 GLN 64 HG1 GLN 64 -3.829 -16.969 10.937 463 HE21 GLN 64 HE21 GLN 64 -3.858 -17.392 13.198 464 HE22 GLN 64 HE22 GLN 64 -3.365 -18.928 13.818 465 H ARG 65 HN ARG 65 -7.627 -18.803 8.413 466 HA ARG 65 HA ARG 65 -5.694 -19.989 6.820 467 HB2 ARG 65 HB2 ARG 65 -7.570 -21.277 7.275 468 HB3 ARG 65 HB1 ARG 65 -8.684 -19.968 6.915 469 HG2 ARG 65 HG2 ARG 65 -8.298 -20.226 4.554 470 HG3 ARG 65 HG1 ARG 65 -7.077 -21.469 4.858 471 HD2 ARG 65 HD2 ARG 65 -9.751 -21.896 6.057 472 HD3 ARG 65 HD1 ARG 65 -9.635 -22.014 4.313 473 HE ARG 65 HE ARG 65 -8.585 -23.859 6.263 474 HH11 ARG 65 HH11 ARG 65 -8.246 -22.697 2.976 475 HH12 ARG 65 HH12 ARG 65 -7.554 -24.169 2.385 476 HH21 ARG 65 HH21 ARG 65 -7.683 -25.817 5.486 477 HH22 ARG 65 HH22 ARG 65 -7.223 -25.944 3.815 478 H ILE 66 HN ILE 66 -8.246 -17.691 5.889 479 HA ILE 66 HA ILE 66 -7.487 -17.616 3.155 480 HB ILE 66 HB ILE 66 -8.949 -15.535 3.087 481 HG12 ILE 66 HG12 ILE 66 -9.463 -16.338 5.971 482 HG13 ILE 66 HG11 ILE 66 -8.673 -14.854 5.443 483 HG21 ILE 66 HG21 ILE 66 -11.008 -16.834 3.334 484 HG22 ILE 66 HG22 ILE 66 -10.112 -18.090 4.191 485 HG23 ILE 66 HG23 ILE 66 -9.755 -17.751 2.496 486 HD11 ILE 66 HD11 ILE 66 -11.531 -15.618 4.882 487 HD12 ILE 66 HD12 ILE 66 -10.738 -14.125 4.379 488 HD13 ILE 66 HD13 ILE 66 -10.978 -14.462 6.094 489 H GLU 67 HN GLU 67 -6.648 -15.612 5.935 490 HA GLU 67 HA GLU 67 -5.140 -13.675 4.525 491 HB2 GLU 67 HB2 GLU 67 -5.023 -14.622 7.380 492 HB3 GLU 67 HB1 GLU 67 -4.057 -13.285 6.760 493 HG2 GLU 67 HG2 GLU 67 -7.071 -13.428 6.758 494 HG3 GLU 67 HG1 GLU 67 -6.085 -12.508 7.891 495 H GLN 68 HN GLN 68 -4.432 -16.880 5.706 496 HA GLN 68 HA GLN 68 -1.604 -16.770 5.229 497 HB2 GLN 68 HB2 GLN 68 -3.516 -19.061 5.702 498 HB3 GLN 68 HB1 GLN 68 -1.801 -19.307 5.426 499 HG2 GLN 68 HG2 GLN 68 -2.884 -17.607 7.659 500 HG3 GLN 68 HG1 GLN 68 -2.562 -19.331 7.822 501 HE21 GLN 68 HE21 GLN 68 -0.992 -19.095 9.358 502 HE22 GLN 68 HE22 GLN 68 0.562 -18.402 9.034 503 H LEU 69 HN LEU 69 -4.052 -16.647 3.019 504 HA LEU 69 HA LEU 69 -2.712 -18.459 1.116 505 HB2 LEU 69 HB2 LEU 69 -5.446 -17.194 1.006 506 HB3 LEU 69 HB1 LEU 69 -4.768 -18.206 -0.255 507 HG LEU 69 HG LEU 69 -5.387 -19.082 2.568 508 HD11 LEU 69 HD11 LEU 69 -6.741 -19.733 -0.045 509 HD12 LEU 69 HD12 LEU 69 -7.384 -18.688 1.222 510 HD13 LEU 69 HD13 LEU 69 -7.147 -20.409 1.533 511 HD21 LEU 69 HD21 LEU 69 -4.318 -20.646 0.213 512 HD22 LEU 69 HD22 LEU 69 -4.871 -21.349 1.732 513 HD23 LEU 69 HD23 LEU 69 -3.463 -20.289 1.714 514 H TRP 70 HN TRP 70 -4.454 -15.352 0.831 515 HA TRP 70 HA TRP 70 -2.807 -14.656 -1.467 516 HB2 TRP 70 HB2 TRP 70 -5.264 -14.245 -1.494 517 HB3 TRP 70 HB1 TRP 70 -5.068 -13.087 -0.182 518 HD1 TRP 70 HD1 TRP 70 -3.951 -10.720 -0.791 519 HE1 TRP 70 HE1 TRP 70 -3.640 -9.488 -3.028 520 HE3 TRP 70 HE3 TRP 70 -4.820 -14.614 -3.993 521 HZ2 TRP 70 HZ2 TRP 70 -3.753 -10.082 -5.778 522 HZ3 TRP 70 HZ3 TRP 70 -4.702 -14.194 -6.415 523 HH2 TRP 70 HH2 TRP 70 -4.180 -11.974 -7.289 524 H THR 71 HN THR 71 -3.681 -13.193 1.608 525 HA THR 71 HA THR 71 -1.812 -11.074 1.472 526 HB THR 71 HB THR 71 -2.900 -12.004 4.105 527 HG1 THR 71 HG1 THR 71 -4.987 -11.348 3.543 528 HG21 THR 71 HG21 THR 71 -2.861 -9.307 2.725 529 HG22 THR 71 HG22 THR 71 -1.668 -9.865 3.898 530 HG23 THR 71 HG23 THR 71 -3.343 -9.614 4.393 531 H ASP 72 HN ASP 72 -1.411 -14.339 2.048 532 HA ASP 72 HA ASP 72 0.135 -14.704 4.255 533 HB2 ASP 72 HB2 ASP 72 0.671 -16.779 3.426 534 HB3 ASP 72 HB1 ASP 72 -0.712 -16.376 2.418 535 H MET 73 HN MET 73 1.139 -13.264 1.239 536 HA MET 73 HA MET 73 3.944 -13.473 1.648 537 HB2 MET 73 HB2 MET 73 2.357 -11.517 -0.039 538 HB3 MET 73 HB1 MET 73 4.106 -11.693 -0.091 539 HG2 MET 73 HG2 MET 73 3.844 -14.016 -0.839 540 HG3 MET 73 HG1 MET 73 2.092 -13.823 -0.803 541 HE1 MET 73 HE1 MET 73 4.788 -11.193 -1.922 542 HE2 MET 73 HE2 MET 73 4.855 -11.466 -3.663 543 HE3 MET 73 HE3 MET 73 5.452 -12.700 -2.554 544 H VAL 74 HN VAL 74 3.942 -12.917 3.911 545 HA VAL 74 HA VAL 74 3.588 -10.069 4.527 546 HB VAL 74 HB VAL 74 2.304 -11.602 5.949 547 HG11 VAL 74 HG11 VAL 74 3.711 -13.583 5.758 548 HG12 VAL 74 HG12 VAL 74 3.424 -13.185 7.453 549 HG13 VAL 74 HG13 VAL 74 4.974 -12.796 6.705 550 HG21 VAL 74 HG21 VAL 74 4.615 -10.332 7.432 551 HG22 VAL 74 HG22 VAL 74 3.088 -10.841 8.154 552 HG23 VAL 74 HG23 VAL 74 3.109 -9.538 6.965 553 HA PRO 75 HA PRO 75 8.061 -9.827 4.880 554 HB2 PRO 75 HB2 PRO 75 8.212 -7.248 5.664 555 HB3 PRO 75 HB1 PRO 75 7.792 -7.696 4.006 556 HG2 PRO 75 HG2 PRO 75 6.021 -6.802 6.241 557 HG3 PRO 75 HG1 PRO 75 5.932 -6.418 4.512 558 HD2 PRO 75 HD2 PRO 75 4.378 -8.319 5.792 559 HD3 PRO 75 HD1 PRO 75 4.708 -8.292 4.052 560 H ALA 76 HN ALA 76 9.258 -8.154 6.808 561 HA ALA 76 HA ALA 76 9.481 -9.832 9.023 562 HB1 ALA 76 HB1 ALA 76 10.094 -6.880 8.882 563 HB2 ALA 76 HB2 ALA 76 11.174 -8.177 8.368 564 HB3 ALA 76 HB3 ALA 76 10.733 -8.022 10.068 565 H SER 77 HN SER 77 7.095 -7.498 8.293 566 HA SER 77 HA SER 77 6.281 -6.561 10.751 567 HB2 SER 77 HB2 SER 77 4.071 -6.225 9.686 568 HB3 SER 77 HB1 SER 77 5.393 -5.724 8.633 569 HG SER 77 HG SER 77 3.487 -7.360 8.020 570 H VAL 78 HN VAL 78 5.846 -9.756 9.389 571 HA VAL 78 HA VAL 78 3.782 -10.711 11.026 572 HB VAL 78 HB VAL 78 4.671 -12.001 9.128 573 HG11 VAL 78 HG11 VAL 78 7.052 -11.542 9.413 574 HG12 VAL 78 HG12 VAL 78 6.746 -13.275 9.311 575 HG13 VAL 78 HG13 VAL 78 7.079 -12.530 10.874 576 HG21 VAL 78 HG21 VAL 78 4.600 -14.224 10.157 577 HG22 VAL 78 HG22 VAL 78 3.367 -13.164 10.839 578 HG23 VAL 78 HG23 VAL 78 4.841 -13.502 11.747 579 H ARG 79 HN ARG 79 7.215 -10.314 11.634 580 HA ARG 79 HA ARG 79 7.215 -11.579 14.203 581 HB2 ARG 79 HB2 ARG 79 9.176 -9.695 12.870 582 HB3 ARG 79 HB1 ARG 79 9.477 -10.505 14.402 583 HG2 ARG 79 HG2 ARG 79 9.641 -12.604 13.412 584 HG3 ARG 79 HG1 ARG 79 8.776 -12.097 11.961 585 HD2 ARG 79 HD2 ARG 79 11.162 -12.423 11.525 586 HD3 ARG 79 HD1 ARG 79 10.678 -10.749 11.269 587 HE ARG 79 HE ARG 79 11.676 -10.277 13.495 588 HH11 ARG 79 HH11 ARG 79 12.649 -13.189 11.810 589 HH12 ARG 79 HH12 ARG 79 14.266 -13.168 12.434 590 HH21 ARG 79 HH21 ARG 79 13.807 -10.255 14.336 591 HH22 ARG 79 HH22 ARG 79 14.920 -11.512 13.884 592 H GLU 80 HN GLU 80 6.911 -8.286 12.998 593 HA GLU 80 HA GLU 80 6.792 -6.958 15.497 594 HB2 GLU 80 HB2 GLU 80 5.632 -6.255 12.788 595 HB3 GLU 80 HB1 GLU 80 5.600 -5.169 14.168 596 HG2 GLU 80 HG2 GLU 80 8.137 -6.280 12.985 597 HG3 GLU 80 HG1 GLU 80 7.421 -4.742 12.506 598 H HIS 81 HN HIS 81 4.525 -8.833 13.692 599 HA HIS 81 HA HIS 81 2.110 -7.898 14.871 600 HB2 HIS 81 HB2 HIS 81 2.343 -9.215 12.706 601 HB3 HIS 81 HB1 HIS 81 2.625 -10.643 13.697 602 HD1 HIS 81 HD1 HIS 81 0.573 -11.583 15.030 603 HD2 HIS 81 HD2 HIS 81 -0.308 -8.382 12.529 604 HE1 HIS 81 HE1 HIS 81 -1.929 -11.555 14.824 605 HE2 HIS 81 HE2 HIS 81 -2.424 -9.707 13.189 606 H LEU 82 HN LEU 82 4.576 -10.102 15.850 607 HA LEU 82 HA LEU 82 2.974 -11.734 17.556 608 HB2 LEU 82 HB2 LEU 82 5.212 -12.321 16.459 609 HB3 LEU 82 HB1 LEU 82 5.965 -11.378 17.731 610 HG LEU 82 HG LEU 82 4.979 -12.895 19.423 611 HD11 LEU 82 HD11 LEU 82 3.004 -13.590 18.152 612 HD12 LEU 82 HD12 LEU 82 3.922 -14.981 18.723 613 HD13 LEU 82 HD13 LEU 82 4.031 -14.486 17.033 614 HD21 LEU 82 HD21 LEU 82 6.403 -14.844 18.923 615 HD22 LEU 82 HD22 LEU 82 7.235 -13.318 18.623 616 HD23 LEU 82 HD23 LEU 82 6.606 -14.260 17.269 617 H ASN 83 HN ASN 83 2.827 -11.728 19.799 618 HA ASN 83 HA ASN 83 3.056 -9.141 21.058 619 HB2 ASN 83 HB2 ASN 83 1.149 -10.745 21.466 620 HB3 ASN 83 HB1 ASN 83 2.276 -11.782 22.332 621 HD21 ASN 83 HD21 ASN 83 -0.116 -10.497 23.315 622 HD22 ASN 83 HD22 ASN 83 0.366 -9.478 24.629 623 H GLN 84 HN GLN 84 4.530 -8.513 22.575 624 HA GLN 84 HA GLN 84 7.043 -9.893 22.549 625 HB2 GLN 84 HB2 GLN 84 7.860 -8.016 23.903 626 HB3 GLN 84 HB1 GLN 84 6.971 -7.459 22.494 627 HG2 GLN 84 HG2 GLN 84 5.018 -7.011 23.885 628 HG3 GLN 84 HG1 GLN 84 5.884 -7.594 25.306 629 HE21 GLN 84 HE21 GLN 84 7.362 -5.694 22.764 630 HE22 GLN 84 HE22 GLN 84 7.602 -4.267 23.708 631 H HIS 85 HN HIS 85 4.305 -10.112 24.519 632 HA HIS 85 HA HIS 85 5.705 -10.824 26.956 633 HB2 HIS 85 HB2 HIS 85 2.772 -10.866 26.207 634 HB3 HIS 85 HB1 HIS 85 3.376 -11.379 27.779 635 HD1 HIS 85 HD1 HIS 85 4.034 -9.560 29.448 636 HD2 HIS 85 HD2 HIS 85 2.950 -8.065 25.721 637 HE1 HIS 85 HE1 HIS 85 3.792 -7.077 29.758 638 HE2 HIS 85 HE2 HIS 85 3.075 -6.197 27.510 639 H SER 86 HN SER 86 6.662 -12.389 25.030 640 HA SER 86 HA SER 86 7.138 -14.487 24.384 641 HB2 SER 86 HB2 SER 86 7.019 -16.230 26.127 642 HB3 SER 86 HB1 SER 86 7.675 -14.719 26.752 643 HG SER 86 HG SER 86 4.916 -15.152 26.964 644 H GLY 87 HN GLY 87 5.923 -14.956 22.638 645 HA2 GLY 87 HA2 GLY 87 3.218 -16.003 22.937 646 HA3 GLY 87 HA1 GLY 87 4.081 -15.738 21.427 647 HA PRO 88 HA PRO 88 4.160 -20.322 22.602 648 HB2 PRO 88 HB2 PRO 88 2.788 -21.276 20.457 649 HB3 PRO 88 HB1 PRO 88 1.990 -20.752 21.944 650 HG2 PRO 88 HG2 PRO 88 2.360 -19.258 19.368 651 HG3 PRO 88 HG1 PRO 88 0.910 -19.394 20.381 652 HD2 PRO 88 HD2 PRO 88 2.525 -17.223 20.454 653 HD3 PRO 88 HD1 PRO 88 1.660 -17.808 21.890 654 H GLY 89 HN GLY 89 5.149 -18.283 20.103 655 HA2 GLY 89 HA2 GLY 89 7.199 -18.422 18.966 656 HA3 GLY 89 HA1 GLY 89 7.250 -20.148 19.297 657 H ILE 90 HN ILE 90 4.322 -20.126 18.371 658 HA ILE 90 HA ILE 90 4.828 -20.892 15.661 659 HB ILE 90 HB ILE 90 2.184 -20.538 17.103 660 HG12 ILE 90 HG12 ILE 90 3.854 -23.040 16.712 661 HG13 ILE 90 HG11 ILE 90 3.690 -22.157 18.225 662 HG21 ILE 90 HG21 ILE 90 1.272 -22.034 15.388 663 HG22 ILE 90 HG22 ILE 90 2.844 -22.080 14.587 664 HG23 ILE 90 HG23 ILE 90 1.939 -20.568 14.667 665 HD11 ILE 90 HD11 ILE 90 2.292 -24.140 18.186 666 HD12 ILE 90 HD12 ILE 90 1.463 -23.540 16.750 667 HD13 ILE 90 HD13 ILE 90 1.315 -22.674 18.280 668 H ASP 91 HN ASP 91 4.487 -19.736 13.833 669 HA ASP 91 HA ASP 91 3.890 -16.911 14.046 670 HB2 ASP 91 HB2 ASP 91 4.433 -16.809 11.668 671 HB3 ASP 91 HB1 ASP 91 5.673 -17.722 12.521 672 H TYR 92 HN TYR 92 2.269 -15.901 12.633 673 HA TYR 92 HA TYR 92 -0.054 -17.618 12.090 674 HB2 TYR 92 HB2 TYR 92 -0.147 -14.984 13.594 675 HB3 TYR 92 HB1 TYR 92 -1.548 -15.926 13.102 676 HD1 TYR 92 HD1 TYR 92 -1.636 -18.387 14.014 677 HD2 TYR 92 HD2 TYR 92 0.733 -15.293 15.732 678 HE1 TYR 92 HE1 TYR 92 -1.548 -19.636 16.127 679 HE2 TYR 92 HE2 TYR 92 0.828 -16.537 17.850 680 HH TYR 92 HH TYR 92 -0.558 -18.280 19.023 681 H ALA 93 HN ALA 93 -1.777 -16.217 10.930 682 HA ALA 93 HA ALA 93 -0.673 -15.163 8.543 683 HB1 ALA 93 HB1 ALA 93 -2.883 -16.246 8.651 684 HB2 ALA 93 HB2 ALA 93 -2.970 -14.639 7.931 685 HB3 ALA 93 HB3 ALA 93 -3.493 -14.888 9.598 686 H VAL 94 HN VAL 94 -1.285 -12.904 7.717 687 HA VAL 94 HA VAL 94 -0.371 -11.069 9.748 688 HB VAL 94 HB VAL 94 0.828 -11.101 7.612 689 HG11 VAL 94 HG11 VAL 94 -0.209 -10.238 5.574 690 HG12 VAL 94 HG12 VAL 94 -1.752 -10.090 6.414 691 HG13 VAL 94 HG13 VAL 94 -1.038 -11.682 6.157 692 HG21 VAL 94 HG21 VAL 94 -0.621 -8.514 8.156 693 HG22 VAL 94 HG22 VAL 94 0.852 -8.667 7.195 694 HG23 VAL 94 HG23 VAL 94 0.871 -9.059 8.916 695 H ARG 95 HN ARG 95 -3.074 -12.061 9.449 696 HA ARG 95 HA ARG 95 -4.823 -9.837 9.288 697 HB2 ARG 95 HB2 ARG 95 -5.850 -12.014 9.293 698 HB3 ARG 95 HB1 ARG 95 -5.055 -12.455 10.797 699 HG2 ARG 95 HG2 ARG 95 -7.442 -11.977 11.107 700 HG3 ARG 95 HG1 ARG 95 -6.419 -10.878 12.031 701 HD2 ARG 95 HD2 ARG 95 -6.696 -9.193 10.212 702 HD3 ARG 95 HD1 ARG 95 -7.838 -10.286 9.429 703 HE ARG 95 HE ARG 95 -9.003 -10.088 11.772 704 HH11 ARG 95 HH11 ARG 95 -7.450 -7.536 9.942 705 HH12 ARG 95 HH12 ARG 95 -8.469 -6.282 10.580 706 HH21 ARG 95 HH21 ARG 95 -10.342 -8.444 12.616 707 HH22 ARG 95 HH22 ARG 95 -10.108 -6.800 12.111
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