NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612558 | 5u3h | 30205 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -36.430 -11.903 4.697 2 H2 GLY 1 H2 GLY 1 -35.583 -12.983 3.715 3 H3 GLY 1 H3 GLY 1 -36.833 -13.541 4.702 4 HA2 GLY 1 HA2 GLY 1 -37.556 -13.414 2.411 5 HA3 GLY 1 HA3 GLY 1 -38.455 -12.310 3.443 6 H THR 2 H THR 2 -38.841 -11.473 1.146 7 HA THR 2 HA THR 2 -38.674 -9.871 -0.433 8 HB THR 2 HB THR 2 -36.866 -8.320 1.510 9 HG1 THR 2 HG1 THR 2 -38.560 -8.729 2.813 10 HG21 THR 2 HG21 THR 2 -38.012 -6.332 0.565 11 HG22 THR 2 HG22 THR 2 -38.976 -7.362 -0.492 12 HG23 THR 2 HG23 THR 2 -37.230 -7.246 -0.728 13 H ILE 3 H ILE 3 -37.083 -12.005 -0.914 14 HA ILE 3 HA ILE 3 -35.267 -12.927 -1.877 15 HB ILE 3 HB ILE 3 -35.228 -10.243 -3.340 16 HG12 ILE 3 HG13 ILE 3 -36.112 -11.623 -5.274 17 HG13 ILE 3 HG12 ILE 3 -36.179 -13.029 -4.223 18 HG21 ILE 3 HG21 ILE 3 -32.942 -11.135 -3.424 19 HG22 ILE 3 HG22 ILE 3 -33.697 -11.292 -5.007 20 HG23 ILE 3 HG23 ILE 3 -33.537 -12.708 -3.966 21 HD11 ILE 3 HD11 ILE 3 -37.912 -11.952 -2.890 22 HD12 ILE 3 HD12 ILE 3 -38.369 -12.019 -4.592 23 HD13 ILE 3 HD13 ILE 3 -37.801 -10.504 -3.892 24 H ASP 4 H ASP 4 -34.009 -13.279 -0.131 25 HA ASP 4 HA ASP 4 -32.318 -11.364 1.127 26 HB2 ASP 4 HB3 ASP 4 -32.165 -14.413 1.230 27 HB3 ASP 4 HB2 ASP 4 -31.393 -13.296 2.353 28 H TYR 5 H TYR 5 -30.672 -10.463 0.109 29 HA TYR 5 HA TYR 5 -29.304 -11.668 -2.134 30 HB2 TYR 5 HB3 TYR 5 -28.823 -9.024 -0.683 31 HB3 TYR 5 HB2 TYR 5 -28.024 -9.514 -2.175 32 HD1 TYR 5 HD1 TYR 5 -31.059 -8.079 -0.739 33 HD2 TYR 5 HD2 TYR 5 -29.399 -9.780 -4.291 34 HE1 TYR 5 HE1 TYR 5 -32.933 -7.169 -2.051 35 HE2 TYR 5 HE2 TYR 5 -31.268 -8.866 -5.596 36 HH TYR 5 HH TYR 5 -33.564 -8.136 -5.274 37 H GLN 6 H GLN 6 -28.937 -12.071 1.129 38 HA GLN 6 HA GLN 6 -26.278 -11.923 1.800 39 HB2 GLN 6 HB3 GLN 6 -28.291 -14.037 2.661 40 HB3 GLN 6 HB2 GLN 6 -26.770 -13.709 3.484 41 HG2 GLN 6 HG3 GLN 6 -27.553 -11.436 4.035 42 HG3 GLN 6 HG2 GLN 6 -29.079 -11.755 3.212 43 HE21 GLN 6 HE21 GLN 6 -28.529 -11.077 6.046 44 HE22 GLN 6 HE22 GLN 6 -29.265 -12.335 6.974 45 H ALA 7 H ALA 7 -27.906 -14.613 0.098 46 HA ALA 7 HA ALA 7 -25.503 -16.249 -0.073 47 HB1 ALA 7 HB1 ALA 7 -27.728 -17.297 0.146 48 HB2 ALA 7 HB2 ALA 7 -26.931 -17.818 -1.338 49 HB3 ALA 7 HB3 ALA 7 -28.224 -16.612 -1.400 50 H LEU 8 H LEU 8 -26.996 -13.754 -1.948 51 HA LEU 8 HA LEU 8 -26.210 -14.698 -4.557 52 HB2 LEU 8 HB3 LEU 8 -27.648 -12.217 -3.563 53 HB3 LEU 8 HB2 LEU 8 -27.130 -12.345 -5.233 54 HG LEU 8 HG LEU 8 -28.572 -14.377 -5.519 55 HD11 LEU 8 HD11 LEU 8 -28.654 -15.216 -3.245 56 HD12 LEU 8 HD12 LEU 8 -30.278 -14.954 -3.874 57 HD13 LEU 8 HD13 LEU 8 -29.582 -13.806 -2.727 58 HD21 LEU 8 HD21 LEU 8 -29.413 -12.180 -6.185 59 HD22 LEU 8 HD22 LEU 8 -30.057 -11.905 -4.563 60 HD23 LEU 8 HD23 LEU 8 -30.721 -13.191 -5.574 61 H LYS 9 H LYS 9 -24.063 -13.743 -2.446 62 HA LYS 9 HA LYS 9 -22.709 -11.568 -3.789 63 HB2 LYS 9 HB3 LYS 9 -21.976 -13.345 -1.440 64 HB3 LYS 9 HB2 LYS 9 -20.750 -12.334 -2.190 65 HG2 LYS 9 HG3 LYS 9 -21.583 -11.142 -0.297 66 HG3 LYS 9 HG2 LYS 9 -22.208 -10.327 -1.733 67 HD2 LYS 9 HD3 LYS 9 -24.369 -11.592 -1.416 68 HD3 LYS 9 HD2 LYS 9 -23.718 -12.221 0.102 69 HE2 LYS 9 HE3 LYS 9 -25.171 -10.323 0.555 70 HE3 LYS 9 HE2 LYS 9 -23.508 -9.876 0.941 71 HZ1 LYS 9 HZ1 LYS 9 -24.553 -8.106 -0.250 72 HZ2 LYS 9 HZ2 LYS 9 -25.032 -9.137 -1.496 73 HZ3 LYS 9 HZ3 LYS 9 -23.394 -8.797 -1.267 74 H ARG 10 H ARG 10 -22.735 -12.525 -5.902 75 HA ARG 10 HA ARG 10 -20.282 -14.053 -6.500 76 HB2 ARG 10 HB3 ARG 10 -23.069 -14.574 -7.643 77 HB3 ARG 10 HB2 ARG 10 -21.611 -15.107 -8.468 78 HG2 ARG 10 HG3 ARG 10 -22.440 -15.973 -5.680 79 HG3 ARG 10 HG2 ARG 10 -22.701 -16.908 -7.154 80 HD2 ARG 10 HD3 ARG 10 -20.255 -17.012 -7.513 81 HD3 ARG 10 HD2 ARG 10 -20.005 -16.090 -6.026 82 HE ARG 10 HE ARG 10 -21.352 -18.125 -5.034 83 HH11 ARG 10 HH11 ARG 10 -18.760 -18.219 -7.432 84 HH12 ARG 10 HH12 ARG 10 -18.216 -19.792 -6.951 85 HH21 ARG 10 HH21 ARG 10 -20.589 -20.190 -4.406 86 HH22 ARG 10 HH22 ARG 10 -19.244 -20.907 -5.241 87 H ARG 11 H ARG 11 -19.271 -12.112 -7.006 88 HA ARG 11 HA ARG 11 -20.355 -10.300 -9.008 89 HB2 ARG 11 HB3 ARG 11 -17.618 -10.403 -7.652 90 HB3 ARG 11 HB2 ARG 11 -18.160 -9.118 -8.732 91 HG2 ARG 11 HG3 ARG 11 -19.932 -8.492 -7.151 92 HG3 ARG 11 HG2 ARG 11 -19.472 -9.825 -6.088 93 HD2 ARG 11 HD3 ARG 11 -17.674 -7.489 -6.826 94 HD3 ARG 11 HD2 ARG 11 -18.584 -7.638 -5.319 95 HE ARG 11 HE ARG 11 -17.231 -9.759 -4.968 96 HH11 ARG 11 HH11 ARG 11 -15.899 -7.049 -6.801 97 HH12 ARG 11 HH12 ARG 11 -14.256 -7.442 -6.398 98 HH21 ARG 11 HH21 ARG 11 -15.069 -10.239 -4.454 99 HH22 ARG 11 HH22 ARG 11 -13.791 -9.239 -5.077 100 H HIS 12 H HIS 12 -17.249 -12.089 -8.814 101 HA HIS 12 HA HIS 12 -15.989 -13.235 -10.263 102 HB2 HIS 12 HB3 HIS 12 -17.804 -14.844 -10.125 103 HB3 HIS 12 HB2 HIS 12 -18.736 -14.002 -11.351 104 HD1 HIS 12 HD1 HIS 12 -17.990 -14.308 -13.815 105 HD2 HIS 12 HD2 HIS 12 -15.828 -16.614 -11.112 106 HE1 HIS 12 HE1 HIS 12 -16.757 -15.988 -15.207 107 HE2 HIS 12 HE2 HIS 12 -15.286 -17.194 -13.568 108 H THR 13 H THR 13 -15.006 -11.321 -11.142 109 HA THR 13 HA THR 13 -15.805 -10.526 -13.849 110 HB THR 13 HB THR 13 -13.758 -8.941 -13.601 111 HG1 THR 13 HG1 THR 13 -14.007 -9.070 -10.841 112 HG21 THR 13 HG21 THR 13 -16.100 -8.567 -11.691 113 HG22 THR 13 HG22 THR 13 -16.115 -8.175 -13.415 114 HG23 THR 13 HG23 THR 13 -15.049 -7.299 -12.318 115 HA PRO 14 HA PRO 14 -13.314 -14.021 -15.382 116 HB2 PRO 14 HB3 PRO 14 -13.613 -12.416 -17.940 117 HB3 PRO 14 HB2 PRO 14 -13.897 -14.150 -17.650 118 HG2 PRO 14 HG3 PRO 14 -15.961 -12.525 -17.856 119 HG3 PRO 14 HG2 PRO 14 -15.961 -13.774 -16.585 120 HD2 PRO 14 HD3 PRO 14 -15.400 -10.820 -16.337 121 HD3 PRO 14 HD2 PRO 14 -16.333 -11.888 -15.263 122 H GLU 15 H GLU 15 -12.550 -10.684 -16.330 123 HA GLU 15 HA GLU 15 -9.698 -11.062 -15.855 124 HB2 GLU 15 HB3 GLU 15 -10.038 -11.794 -18.230 125 HB3 GLU 15 HB2 GLU 15 -10.752 -10.234 -18.612 126 HG2 GLU 15 HG3 GLU 15 -8.623 -9.119 -18.207 127 HG3 GLU 15 HG2 GLU 15 -7.886 -10.632 -17.682 128 H ALA 16 H ALA 16 -8.559 -8.928 -15.815 129 HA ALA 16 HA ALA 16 -10.079 -6.695 -14.928 130 HB1 ALA 16 HB1 ALA 16 -7.951 -5.441 -15.035 131 HB2 ALA 16 HB2 ALA 16 -7.200 -6.777 -15.913 132 HB3 ALA 16 HB3 ALA 16 -7.734 -7.005 -14.247 133 H GLU 17 H GLU 17 -11.630 -6.458 -16.450 134 HA GLU 17 HA GLU 17 -11.023 -5.614 -19.207 135 HB2 GLU 17 HB3 GLU 17 -13.455 -5.985 -19.572 136 HB3 GLU 17 HB2 GLU 17 -12.660 -7.414 -18.914 137 HG2 GLU 17 HG3 GLU 17 -13.480 -6.680 -16.612 138 HG3 GLU 17 HG2 GLU 17 -14.448 -5.460 -17.440 139 H ASN 18 H ASN 18 -11.666 -4.292 -16.197 140 HA ASN 18 HA ASN 18 -11.730 -1.589 -17.159 141 HB2 ASN 18 HB3 ASN 18 -14.191 -2.356 -17.238 142 HB3 ASN 18 HB2 ASN 18 -14.126 -2.537 -15.493 143 HD21 ASN 18 HD21 ASN 18 -15.833 -0.798 -17.103 144 HD22 ASN 18 HD22 ASN 18 -15.529 0.819 -16.572 145 HA PRO 19 HA PRO 19 -9.150 -1.723 -13.381 146 HB2 PRO 19 HB3 PRO 19 -8.878 1.071 -13.103 147 HB3 PRO 19 HB2 PRO 19 -7.878 0.045 -14.151 148 HG2 PRO 19 HG3 PRO 19 -10.296 1.676 -14.868 149 HG3 PRO 19 HG2 PRO 19 -8.755 1.506 -15.742 150 HD2 PRO 19 HD3 PRO 19 -10.906 0.167 -16.566 151 HD3 PRO 19 HD2 PRO 19 -9.314 -0.631 -16.569 152 H ALA 20 H ALA 20 -10.797 -2.598 -12.061 153 HA ALA 20 HA ALA 20 -11.631 -0.978 -9.840 154 HB1 ALA 20 HB1 ALA 20 -14.076 -1.374 -10.027 155 HB2 ALA 20 HB2 ALA 20 -13.847 -2.128 -11.609 156 HB3 ALA 20 HB3 ALA 20 -13.486 -0.417 -11.387 157 H GLU 21 H GLU 21 -12.841 -3.950 -11.425 158 HA GLU 21 HA GLU 21 -12.086 -5.599 -9.067 159 HB2 GLU 21 HB3 GLU 21 -14.236 -6.042 -11.172 160 HB3 GLU 21 HB2 GLU 21 -13.801 -7.222 -9.939 161 HG2 GLU 21 HG3 GLU 21 -14.522 -5.662 -8.183 162 HG3 GLU 21 HG2 GLU 21 -14.937 -4.467 -9.410 163 H ALA 22 H ALA 22 -11.447 -7.892 -9.655 164 HA ALA 22 HA ALA 22 -9.747 -9.199 -10.405 165 HB1 ALA 22 HB1 ALA 22 -9.445 -9.515 -12.824 166 HB2 ALA 22 HB2 ALA 22 -10.407 -8.071 -13.146 167 HB3 ALA 22 HB3 ALA 22 -11.161 -9.482 -12.404 168 H ASP 23 H ASP 23 -9.371 -6.383 -9.625 169 HA ASP 23 HA ASP 23 -6.684 -5.825 -10.715 170 HB2 ASP 23 HB3 ASP 23 -8.895 -3.996 -9.701 171 HB3 ASP 23 HB2 ASP 23 -7.223 -3.456 -9.699 172 H LEU 24 H LEU 24 -8.006 -7.369 -8.213 173 HA LEU 24 HA LEU 24 -7.013 -6.104 -5.880 174 HB2 LEU 24 HB3 LEU 24 -8.793 -7.877 -5.944 175 HB3 LEU 24 HB2 LEU 24 -7.568 -9.053 -6.383 176 HG LEU 24 HG LEU 24 -6.451 -8.681 -4.174 177 HD11 LEU 24 HD11 LEU 24 -7.188 -6.418 -3.680 178 HD12 LEU 24 HD12 LEU 24 -7.622 -7.508 -2.369 179 HD13 LEU 24 HD13 LEU 24 -8.859 -6.963 -3.506 180 HD21 LEU 24 HD21 LEU 24 -8.078 -9.945 -2.837 181 HD22 LEU 24 HD22 LEU 24 -7.988 -10.562 -4.483 182 HD23 LEU 24 HD23 LEU 24 -9.356 -9.558 -3.994 183 HA PRO 25 HA PRO 25 -2.541 -6.784 -6.661 184 HB2 PRO 25 HB3 PRO 25 -2.402 -6.259 -3.679 185 HB3 PRO 25 HB2 PRO 25 -1.482 -5.509 -5.004 186 HG2 PRO 25 HG3 PRO 25 -3.441 -4.160 -3.849 187 HG3 PRO 25 HG2 PRO 25 -3.247 -4.098 -5.619 188 HD2 PRO 25 HD3 PRO 25 -5.235 -5.684 -3.989 189 HD3 PRO 25 HD2 PRO 25 -5.476 -4.774 -5.502 190 H GLN 26 H GLN 26 -1.595 -8.743 -6.837 191 HA GLN 26 HA GLN 26 -2.160 -10.866 -4.829 192 HB2 GLN 26 HB3 GLN 26 -1.498 -11.229 -7.794 193 HB3 GLN 26 HB2 GLN 26 -1.866 -12.512 -6.648 194 HG2 GLN 26 HG3 GLN 26 -3.774 -10.360 -7.593 195 HG3 GLN 26 HG2 GLN 26 -3.771 -12.042 -8.115 196 HE21 GLN 26 HE21 GLN 26 -5.869 -10.446 -6.848 197 HE22 GLN 26 HE22 GLN 26 -6.335 -11.306 -5.425 198 H GLY 27 H GLY 27 -0.439 -10.983 -3.527 199 HA2 GLY 27 HA3 GLY 27 1.804 -12.191 -3.602 200 HA3 GLY 27 HA2 GLY 27 2.310 -10.853 -4.631 201 H ASP 28 H ASP 28 3.489 -11.584 -2.152 202 HA ASP 28 HA ASP 28 2.611 -10.147 0.098 203 HB2 ASP 28 HB3 ASP 28 5.429 -11.058 -0.643 204 HB3 ASP 28 HB2 ASP 28 4.955 -10.511 0.960 205 H ILE 29 H ILE 29 4.773 -9.241 -2.544 206 HA ILE 29 HA ILE 29 5.662 -6.762 -1.392 207 HB ILE 29 HB ILE 29 5.800 -7.594 -4.335 208 HG12 ILE 29 HG13 ILE 29 6.873 -9.312 -2.968 209 HG13 ILE 29 HG12 ILE 29 8.111 -8.389 -3.808 210 HG21 ILE 29 HG21 ILE 29 7.455 -5.549 -2.786 211 HG22 ILE 29 HG22 ILE 29 6.224 -5.187 -3.998 212 HG23 ILE 29 HG23 ILE 29 7.704 -6.018 -4.470 213 HD11 ILE 29 HD11 ILE 29 7.333 -8.066 -0.903 214 HD12 ILE 29 HD12 ILE 29 8.595 -7.160 -1.744 215 HD13 ILE 29 HD13 ILE 29 8.752 -8.898 -1.526 216 H GLU 30 H GLU 30 3.196 -7.695 -3.816 217 HA GLU 30 HA GLU 30 2.307 -5.101 -4.485 218 HB2 GLU 30 HB3 GLU 30 0.931 -7.813 -4.563 219 HB3 GLU 30 HB2 GLU 30 0.113 -6.344 -5.076 220 HG2 GLU 30 HG3 GLU 30 0.965 -7.531 -7.001 221 HG3 GLU 30 HG2 GLU 30 1.795 -5.986 -6.833 222 H LYS 31 H LYS 31 1.479 -7.258 -1.812 223 HA LYS 31 HA LYS 31 -0.688 -5.646 -0.781 224 HB2 LYS 31 HB3 LYS 31 0.849 -8.030 0.335 225 HB3 LYS 31 HB2 LYS 31 -0.463 -7.244 1.217 226 HG2 LYS 31 HG3 LYS 31 -2.062 -7.833 -0.532 227 HG3 LYS 31 HG2 LYS 31 -0.764 -8.502 -1.533 228 HD2 LYS 31 HD3 LYS 31 -0.347 -10.275 0.097 229 HD3 LYS 31 HD2 LYS 31 -1.512 -9.565 1.219 230 HE2 LYS 31 HE3 LYS 31 -2.198 -10.667 -1.522 231 HE3 LYS 31 HE2 LYS 31 -2.422 -11.520 0.004 232 HZ1 LYS 31 HZ1 LYS 31 -3.751 -8.989 -0.796 233 HZ2 LYS 31 HZ2 LYS 31 -3.924 -9.729 0.707 234 HZ3 LYS 31 HZ3 LYS 31 -4.484 -10.509 -0.683 235 H GLN 32 H GLN 32 2.782 -5.936 -0.165 236 HA GLN 32 HA GLN 32 2.917 -4.395 2.217 237 HB2 GLN 32 HB3 GLN 32 4.769 -5.861 1.439 238 HB3 GLN 32 HB2 GLN 32 5.021 -4.825 0.040 239 HG2 GLN 32 HG3 GLN 32 6.728 -4.403 1.709 240 HG3 GLN 32 HG2 GLN 32 5.710 -2.977 1.538 241 HE21 GLN 32 HE21 GLN 32 4.899 -5.894 3.401 242 HE22 GLN 32 HE22 GLN 32 4.906 -5.120 4.941 243 H VAL 33 H VAL 33 3.424 -3.584 -1.204 244 HA VAL 33 HA VAL 33 3.786 -0.793 -0.901 245 HB VAL 33 HB VAL 33 2.893 -2.428 -3.328 246 HG11 VAL 33 HG11 VAL 33 3.621 -0.537 -4.730 247 HG12 VAL 33 HG12 VAL 33 3.938 0.429 -3.288 248 HG13 VAL 33 HG13 VAL 33 2.289 -0.071 -3.669 249 HG21 VAL 33 HG21 VAL 33 5.104 -3.090 -2.469 250 HG22 VAL 33 HG22 VAL 33 5.665 -1.419 -2.574 251 HG23 VAL 33 HG23 VAL 33 5.245 -2.307 -4.042 252 H ALA 34 H ALA 34 0.898 -2.808 -1.555 253 HA ALA 34 HA ALA 34 -0.961 -0.764 -2.079 254 HB1 ALA 34 HB1 ALA 34 -2.703 -2.419 -1.572 255 HB2 ALA 34 HB2 ALA 34 -1.498 -3.479 -0.830 256 HB3 ALA 34 HB3 ALA 34 -1.423 -3.129 -2.558 257 H ALA 35 H ALA 35 -0.191 -2.438 0.974 258 HA ALA 35 HA ALA 35 -2.097 -1.229 2.626 259 HB1 ALA 35 HB1 ALA 35 -0.733 -2.024 4.510 260 HB2 ALA 35 HB2 ALA 35 0.631 -2.312 3.422 261 HB3 ALA 35 HB3 ALA 35 -0.851 -3.255 3.253 262 H LEU 36 H LEU 36 1.261 -0.276 1.946 263 HA LEU 36 HA LEU 36 1.340 1.902 3.801 264 HB2 LEU 36 HB3 LEU 36 3.151 1.235 1.446 265 HB3 LEU 36 HB2 LEU 36 3.515 2.431 2.685 266 HG LEU 36 HG LEU 36 3.206 -0.563 3.161 267 HD11 LEU 36 HD11 LEU 36 5.628 -0.586 3.575 268 HD12 LEU 36 HD12 LEU 36 5.730 1.121 3.134 269 HD13 LEU 36 HD13 LEU 36 5.251 -0.076 1.930 270 HD21 LEU 36 HD21 LEU 36 3.962 1.625 5.123 271 HD22 LEU 36 HD22 LEU 36 4.012 -0.110 5.449 272 HD23 LEU 36 HD23 LEU 36 2.472 0.677 5.118 273 H TRP 37 H TRP 37 0.708 1.661 0.301 274 HA TRP 37 HA TRP 37 0.473 4.440 -0.227 275 HB2 TRP 37 HB3 TRP 37 -0.674 2.004 -1.631 276 HB3 TRP 37 HB2 TRP 37 -1.047 3.631 -2.182 277 HD1 TRP 37 HD1 TRP 37 2.551 2.980 -1.054 278 HE1 TRP 37 HE1 TRP 37 4.083 2.971 -3.117 279 HE3 TRP 37 HE3 TRP 37 -1.007 3.043 -4.760 280 HZ2 TRP 37 HZ2 TRP 37 3.849 2.971 -5.913 281 HZ3 TRP 37 HZ3 TRP 37 -0.250 3.033 -7.109 282 HH2 TRP 37 HH2 TRP 37 2.131 2.999 -7.671 283 H GLN 38 H GLN 38 -1.844 2.043 0.998 284 HA GLN 38 HA GLN 38 -4.183 3.665 0.828 285 HB2 GLN 38 HB3 GLN 38 -3.557 1.165 2.451 286 HB3 GLN 38 HB2 GLN 38 -5.144 1.935 2.474 287 HG2 GLN 38 HG3 GLN 38 -5.448 1.530 0.108 288 HG3 GLN 38 HG2 GLN 38 -3.787 0.968 -0.049 289 HE21 GLN 38 HE21 GLN 38 -4.411 -0.999 -0.932 290 HE22 GLN 38 HE22 GLN 38 -5.190 -2.239 -0.014 291 H GLN 39 H GLN 39 -1.564 3.673 3.076 292 HA GLN 39 HA GLN 39 -3.012 5.013 5.231 293 HB2 GLN 39 HB3 GLN 39 0.009 4.705 4.922 294 HB3 GLN 39 HB2 GLN 39 -0.878 5.073 6.398 295 HG2 GLN 39 HG3 GLN 39 -0.836 2.456 4.884 296 HG3 GLN 39 HG2 GLN 39 -0.131 2.781 6.462 297 HE21 GLN 39 HE21 GLN 39 -2.173 0.794 5.557 298 HE22 GLN 39 HE22 GLN 39 -3.544 1.039 6.583 299 H LEU 40 H LEU 40 -0.274 5.902 3.065 300 HA LEU 40 HA LEU 40 -0.233 8.637 3.834 301 HB2 LEU 40 HB3 LEU 40 1.121 7.035 1.654 302 HB3 LEU 40 HB2 LEU 40 1.314 8.773 1.730 303 HG LEU 40 HG LEU 40 3.226 7.707 2.733 304 HD11 LEU 40 HD11 LEU 40 3.297 8.805 4.919 305 HD12 LEU 40 HD12 LEU 40 1.546 9.014 4.884 306 HD13 LEU 40 HD13 LEU 40 2.559 9.839 3.697 307 HD21 LEU 40 HD21 LEU 40 1.382 6.324 4.695 308 HD22 LEU 40 HD22 LEU 40 3.148 6.307 4.743 309 HD23 LEU 40 HD23 LEU 40 2.297 5.558 3.394 310 H LEU 41 H LEU 41 -1.550 6.978 0.917 311 HA LEU 41 HA LEU 41 -2.599 9.405 -0.259 312 HB2 LEU 41 HB3 LEU 41 -3.433 6.532 -0.869 313 HB3 LEU 41 HB2 LEU 41 -3.777 7.938 -1.861 314 HG LEU 41 HG LEU 41 -1.051 6.722 -1.385 315 HD11 LEU 41 HD11 LEU 41 -2.743 6.674 -3.890 316 HD12 LEU 41 HD12 LEU 41 -2.422 5.310 -2.816 317 HD13 LEU 41 HD13 LEU 41 -1.103 6.035 -3.729 318 HD21 LEU 41 HD21 LEU 41 -0.205 8.283 -3.066 319 HD22 LEU 41 HD22 LEU 41 -0.868 9.139 -1.678 320 HD23 LEU 41 HD23 LEU 41 -1.795 9.041 -3.178 321 H SER 42 H SER 42 -3.660 7.155 2.142 322 HA SER 42 HA SER 42 -5.447 6.968 3.505 323 HB2 SER 42 HB3 SER 42 -6.134 9.809 2.593 324 HB3 SER 42 HB2 SER 42 -6.738 9.003 4.046 325 HG SER 42 HG SER 42 -3.965 9.222 3.655 326 H THR 43 H THR 43 -5.844 5.503 1.461 327 HA THR 43 HA THR 43 -8.392 6.148 0.080 328 HB THR 43 HB THR 43 -7.692 4.534 -1.651 329 HG1 THR 43 HG1 THR 43 -6.125 3.583 0.260 330 HG21 THR 43 HG21 THR 43 -5.429 6.447 -0.957 331 HG22 THR 43 HG22 THR 43 -6.836 6.837 -1.948 332 HG23 THR 43 HG23 THR 43 -5.651 5.660 -2.517 333 H GLY 44 H GLY 44 -9.795 4.222 -0.441 334 HA2 GLY 44 HA3 GLY 44 -10.398 2.561 1.817 335 HA3 GLY 44 HA2 GLY 44 -11.094 2.434 0.206 336 H ASN 45 H ASN 45 -9.302 1.710 -1.471 337 HA ASN 45 HA ASN 45 -7.252 -0.065 -0.523 338 HB2 ASN 45 HB3 ASN 45 -9.322 -1.527 -0.366 339 HB3 ASN 45 HB2 ASN 45 -9.562 -1.323 -2.096 340 HD21 ASN 45 HD21 ASN 45 -7.586 -2.804 0.380 341 HD22 ASN 45 HD22 ASN 45 -6.772 -3.924 -0.657 342 H VAL 46 H VAL 46 -5.724 0.918 -1.814 343 HA VAL 46 HA VAL 46 -6.074 1.435 -4.597 344 HB VAL 46 HB VAL 46 -3.576 1.639 -4.722 345 HG11 VAL 46 HG11 VAL 46 -4.932 3.592 -4.123 346 HG12 VAL 46 HG12 VAL 46 -3.375 3.637 -3.298 347 HG13 VAL 46 HG13 VAL 46 -4.829 3.168 -2.412 348 HG21 VAL 46 HG21 VAL 46 -2.972 -0.061 -3.035 349 HG22 VAL 46 HG22 VAL 46 -3.597 0.978 -1.757 350 HG23 VAL 46 HG23 VAL 46 -2.201 1.488 -2.707 351 H THR 47 H THR 47 -5.773 0.145 -6.307 352 HA THR 47 HA THR 47 -5.318 -2.739 -5.868 353 HB THR 47 HB THR 47 -6.500 -2.961 -8.094 354 HG1 THR 47 HG1 THR 47 -7.436 -1.188 -9.029 355 HG21 THR 47 HG21 THR 47 -8.071 -1.496 -5.937 356 HG22 THR 47 HG22 THR 47 -7.780 -3.238 -6.006 357 HG23 THR 47 HG23 THR 47 -8.764 -2.459 -7.245 358 H ARG 48 H ARG 48 -4.401 -3.849 -7.964 359 HA ARG 48 HA ARG 48 -1.707 -3.242 -8.203 360 HB2 ARG 48 HB3 ARG 48 -1.651 -4.849 -10.115 361 HB3 ARG 48 HB2 ARG 48 -2.533 -5.472 -8.723 362 HG2 ARG 48 HG3 ARG 48 -4.637 -5.170 -9.776 363 HG3 ARG 48 HG2 ARG 48 -3.962 -4.152 -11.044 364 HD2 ARG 48 HD3 ARG 48 -3.311 -7.097 -10.698 365 HD3 ARG 48 HD2 ARG 48 -4.552 -6.466 -11.784 366 HE ARG 48 HE ARG 48 -2.033 -5.225 -12.241 367 HH11 ARG 48 HH11 ARG 48 -3.777 -8.194 -12.948 368 HH12 ARG 48 HH12 ARG 48 -2.881 -8.516 -14.394 369 HH21 ARG 48 HH21 ARG 48 -0.924 -5.603 -14.157 370 HH22 ARG 48 HH22 ARG 48 -1.249 -7.032 -15.083 371 H GLU 49 H GLU 49 -4.364 -2.203 -10.346 372 HA GLU 49 HA GLU 49 -2.427 -0.830 -12.119 373 HB2 GLU 49 HB3 GLU 49 -5.370 -1.474 -12.600 374 HB3 GLU 49 HB2 GLU 49 -4.298 -0.678 -13.749 375 HG2 GLU 49 HG3 GLU 49 -4.137 -3.540 -12.759 376 HG3 GLU 49 HG2 GLU 49 -4.537 -2.993 -14.383 377 H THR 50 H THR 50 -3.582 0.042 -9.401 378 HA THR 50 HA THR 50 -4.656 2.651 -10.005 379 HB THR 50 HB THR 50 -3.523 1.460 -7.435 380 HG1 THR 50 HG1 THR 50 -5.712 0.877 -8.557 381 HG21 THR 50 HG21 THR 50 -3.285 3.923 -7.375 382 HG22 THR 50 HG22 THR 50 -4.537 3.386 -6.257 383 HG23 THR 50 HG23 THR 50 -4.988 4.113 -7.801 384 H ASP 51 H ASP 51 -3.495 4.382 -10.550 385 HA ASP 51 HA ASP 51 -0.572 4.364 -10.378 386 HB2 ASP 51 HB3 ASP 51 -2.486 6.289 -11.757 387 HB3 ASP 51 HB2 ASP 51 -0.735 6.462 -11.758 388 H PHE 52 H PHE 52 0.526 5.508 -8.975 389 HA PHE 52 HA PHE 52 -0.440 6.141 -6.510 390 HB2 PHE 52 HB3 PHE 52 1.930 5.663 -7.029 391 HB3 PHE 52 HB2 PHE 52 2.076 7.206 -7.857 392 HD1 PHE 52 HD1 PHE 52 1.471 5.659 -4.535 393 HD2 PHE 52 HD2 PHE 52 2.683 9.171 -6.640 394 HE1 PHE 52 HE1 PHE 52 2.166 6.690 -2.422 395 HE2 PHE 52 HE2 PHE 52 3.371 10.204 -4.518 396 HZ PHE 52 HZ PHE 52 3.109 8.963 -2.410 397 H PHE 53 H PHE 53 0.445 8.506 -9.032 398 HA PHE 53 HA PHE 53 -0.046 10.767 -7.349 399 HB2 PHE 53 HB3 PHE 53 0.504 10.656 -10.338 400 HB3 PHE 53 HB2 PHE 53 0.522 12.119 -9.356 401 HD1 PHE 53 HD1 PHE 53 2.410 9.154 -10.360 402 HD2 PHE 53 HD2 PHE 53 2.306 12.419 -7.593 403 HE1 PHE 53 HE1 PHE 53 4.767 8.755 -9.786 404 HE2 PHE 53 HE2 PHE 53 4.670 12.006 -7.030 405 HZ PHE 53 HZ PHE 53 5.898 10.169 -8.120 406 H GLN 54 H GLN 54 -1.908 9.102 -9.820 407 HA GLN 54 HA GLN 54 -3.983 11.058 -10.127 408 HB2 GLN 54 HB3 GLN 54 -3.545 9.262 -11.812 409 HB3 GLN 54 HB2 GLN 54 -4.075 8.048 -10.652 410 HG2 GLN 54 HG3 GLN 54 -6.340 9.181 -10.630 411 HG3 GLN 54 HG2 GLN 54 -5.754 10.229 -11.920 412 HE21 GLN 54 HE21 GLN 54 -7.285 9.530 -13.392 413 HE22 GLN 54 HE22 GLN 54 -7.293 7.947 -14.089 414 H GLN 55 H GLN 55 -3.288 8.580 -7.811 415 HA GLN 55 HA GLN 55 -5.993 8.370 -6.751 416 HB2 GLN 55 HB3 GLN 55 -4.359 6.418 -7.101 417 HB3 GLN 55 HB2 GLN 55 -3.450 7.040 -5.728 418 HG2 GLN 55 HG3 GLN 55 -4.917 5.195 -5.076 419 HG3 GLN 55 HG2 GLN 55 -5.373 6.685 -4.256 420 HE21 GLN 55 HE21 GLN 55 -6.194 5.750 -7.592 421 HE22 GLN 55 HE22 GLN 55 -7.898 5.675 -7.329 422 H GLY 56 H GLY 56 -4.433 10.917 -6.520 423 HA2 GLY 56 HA3 GLY 56 -4.512 12.639 -4.962 424 HA3 GLY 56 HA2 GLY 56 -4.867 11.474 -3.696 425 H GLY 57 H GLY 57 -2.249 10.719 -5.764 426 HA2 GLY 57 HA3 GLY 57 -0.290 11.099 -3.655 427 HA3 GLY 57 HA2 GLY 57 -0.029 10.351 -5.225 428 H ASP 58 H ASP 58 1.534 12.347 -3.812 429 HA ASP 58 HA ASP 58 1.818 14.275 -6.027 430 HB2 ASP 58 HB3 ASP 58 0.646 15.337 -3.970 431 HB3 ASP 58 HB2 ASP 58 2.152 15.096 -3.091 432 H SER 59 H SER 59 4.078 15.237 -5.954 433 HA SER 59 HA SER 59 6.122 13.317 -5.618 434 HB2 SER 59 HB3 SER 59 7.650 15.320 -5.981 435 HB3 SER 59 HB2 SER 59 6.390 15.124 -7.201 436 HG SER 59 HG SER 59 5.204 16.611 -5.544 437 H LEU 60 H LEU 60 4.961 15.927 -3.548 438 HA LEU 60 HA LEU 60 6.882 15.790 -1.470 439 HB2 LEU 60 HB3 LEU 60 5.202 17.646 -2.063 440 HB3 LEU 60 HB2 LEU 60 3.979 16.709 -1.235 441 HG LEU 60 HG LEU 60 6.494 17.802 0.124 442 HD11 LEU 60 HD11 LEU 60 5.144 19.654 -0.713 443 HD12 LEU 60 HD12 LEU 60 5.063 19.574 1.043 444 HD13 LEU 60 HD13 LEU 60 3.701 19.002 0.072 445 HD21 LEU 60 HD21 LEU 60 5.261 17.428 2.233 446 HD22 LEU 60 HD22 LEU 60 5.548 15.928 1.358 447 HD23 LEU 60 HD23 LEU 60 3.946 16.667 1.329 448 H LEU 61 H LEU 61 3.624 14.420 -1.850 449 HA LEU 61 HA LEU 61 3.461 12.926 0.522 450 HB2 LEU 61 HB3 LEU 61 1.630 13.595 -1.154 451 HB3 LEU 61 HB2 LEU 61 2.127 12.232 -2.136 452 HG LEU 61 HG LEU 61 1.206 11.879 0.738 453 HD11 LEU 61 HD11 LEU 61 -0.590 11.837 -1.704 454 HD12 LEU 61 HD12 LEU 61 -0.600 13.040 -0.410 455 HD13 LEU 61 HD13 LEU 61 -1.052 11.375 -0.061 456 HD21 LEU 61 HD21 LEU 61 2.353 9.943 -0.188 457 HD22 LEU 61 HD22 LEU 61 1.272 9.930 -1.581 458 HD23 LEU 61 HD23 LEU 61 0.640 9.587 0.031 459 H ALA 62 H ALA 62 4.833 12.218 -2.636 460 HA ALA 62 HA ALA 62 5.348 9.453 -2.351 461 HB1 ALA 62 HB1 ALA 62 6.853 9.794 -4.283 462 HB2 ALA 62 HB2 ALA 62 6.706 11.543 -4.086 463 HB3 ALA 62 HB3 ALA 62 5.293 10.579 -4.514 464 H THR 63 H THR 63 7.245 12.356 -1.583 465 HA THR 63 HA THR 63 9.707 11.186 -0.921 466 HB THR 63 HB THR 63 8.468 13.714 0.277 467 HG1 THR 63 HG1 THR 63 8.635 14.388 -1.707 468 HG21 THR 63 HG21 THR 63 10.527 13.004 1.491 469 HG22 THR 63 HG22 THR 63 10.794 14.488 0.576 470 HG23 THR 63 HG23 THR 63 11.403 12.952 -0.042 471 H ARG 64 H ARG 64 6.813 11.785 1.067 472 HA ARG 64 HA ARG 64 7.854 10.744 3.527 473 HB2 ARG 64 HB3 ARG 64 4.960 11.033 2.601 474 HB3 ARG 64 HB2 ARG 64 5.484 10.767 4.262 475 HG2 ARG 64 HG3 ARG 64 6.642 12.969 4.230 476 HG3 ARG 64 HG2 ARG 64 6.056 13.234 2.585 477 HD2 ARG 64 HD3 ARG 64 3.717 13.122 3.418 478 HD3 ARG 64 HD2 ARG 64 4.330 12.890 5.062 479 HE ARG 64 HE ARG 64 5.494 15.220 4.068 480 HH11 ARG 64 HH11 ARG 64 2.270 14.094 4.895 481 HH12 ARG 64 HH12 ARG 64 1.675 15.677 5.288 482 HH21 ARG 64 HH21 ARG 64 4.707 17.311 4.543 483 HH22 ARG 64 HH22 ARG 64 3.069 17.501 5.087 484 H LEU 65 H LEU 65 5.909 9.355 0.898 485 HA LEU 65 HA LEU 65 5.136 6.931 2.137 486 HB2 LEU 65 HB3 LEU 65 3.889 7.975 0.311 487 HB3 LEU 65 HB2 LEU 65 5.238 7.805 -0.784 488 HG LEU 65 HG LEU 65 3.186 6.241 -1.068 489 HD11 LEU 65 HD11 LEU 65 4.520 4.382 -1.905 490 HD12 LEU 65 HD12 LEU 65 5.933 4.980 -1.034 491 HD13 LEU 65 HD13 LEU 65 5.233 5.935 -2.340 492 HD21 LEU 65 HD21 LEU 65 4.495 4.738 1.219 493 HD22 LEU 65 HD22 LEU 65 3.161 4.162 0.215 494 HD23 LEU 65 HD23 LEU 65 2.930 5.554 1.269 495 H THR 66 H THR 66 7.825 7.712 -0.055 496 HA THR 66 HA THR 66 8.911 5.174 -0.481 497 HB THR 66 HB THR 66 11.129 6.430 -0.775 498 HG1 THR 66 HG1 THR 66 9.573 8.779 -0.432 499 HG21 THR 66 HG21 THR 66 10.407 7.698 -2.777 500 HG22 THR 66 HG22 THR 66 8.724 7.551 -2.264 501 HG23 THR 66 HG23 THR 66 9.641 6.109 -2.706 502 H GLY 67 H GLY 67 9.202 7.357 2.227 503 HA2 GLY 67 HA3 GLY 67 11.234 6.317 3.775 504 HA3 GLY 67 HA2 GLY 67 9.797 7.096 4.415 505 H GLN 68 H GLN 68 7.759 5.357 3.962 506 HA GLN 68 HA GLN 68 8.039 3.359 5.930 507 HB2 GLN 68 HB3 GLN 68 5.945 3.882 3.816 508 HB3 GLN 68 HB2 GLN 68 5.876 2.372 4.712 509 HG2 GLN 68 HG3 GLN 68 4.396 3.944 5.744 510 HG3 GLN 68 HG2 GLN 68 5.753 3.655 6.833 511 HE21 GLN 68 HE21 GLN 68 5.529 5.567 7.942 512 HE22 GLN 68 HE22 GLN 68 5.896 7.104 7.251 513 H LEU 69 H LEU 69 8.386 3.210 2.436 514 HA LEU 69 HA LEU 69 8.623 0.375 2.207 515 HB2 LEU 69 HB3 LEU 69 9.422 2.664 0.383 516 HB3 LEU 69 HB2 LEU 69 9.565 0.977 -0.090 517 HG LEU 69 HG LEU 69 6.886 2.123 0.787 518 HD11 LEU 69 HD11 LEU 69 7.969 2.155 -2.040 519 HD12 LEU 69 HD12 LEU 69 7.672 3.561 -1.016 520 HD13 LEU 69 HD13 LEU 69 6.321 2.564 -1.549 521 HD21 LEU 69 HD21 LEU 69 7.603 -0.240 -0.987 522 HD22 LEU 69 HD22 LEU 69 5.970 0.281 -0.560 523 HD23 LEU 69 HD23 LEU 69 7.053 -0.322 0.690 524 H HIS 70 H HIS 70 10.982 2.997 2.709 525 HA HIS 70 HA HIS 70 13.398 1.555 2.460 526 HB2 HIS 70 HB3 HIS 70 12.778 3.868 4.362 527 HB3 HIS 70 HB2 HIS 70 14.397 3.270 4.012 528 HD1 HIS 70 HD1 HIS 70 13.869 6.175 3.490 529 HD2 HIS 70 HD2 HIS 70 13.191 3.238 0.647 530 HE1 HIS 70 HE1 HIS 70 13.995 7.350 1.274 531 HE2 HIS 70 HE2 HIS 70 13.863 5.501 -0.416 532 H GLN 71 H GLN 71 11.261 2.097 5.176 533 HA GLN 71 HA GLN 71 12.741 0.687 7.157 534 HB2 GLN 71 HB3 GLN 71 9.776 1.414 7.071 535 HB3 GLN 71 HB2 GLN 71 10.710 1.027 8.517 536 HG2 GLN 71 HG3 GLN 71 11.335 3.380 6.710 537 HG3 GLN 71 HG2 GLN 71 10.289 3.498 8.102 538 HE21 GLN 71 HE21 GLN 71 12.791 4.876 7.547 539 HE22 GLN 71 HE22 GLN 71 13.872 4.482 8.832 540 H ALA 72 H ALA 72 10.283 -0.224 4.801 541 HA ALA 72 HA ALA 72 9.774 -2.885 5.738 542 HB1 ALA 72 HB1 ALA 72 8.685 -3.231 3.560 543 HB2 ALA 72 HB2 ALA 72 9.391 -1.728 2.950 544 HB3 ALA 72 HB3 ALA 72 8.208 -1.682 4.256 545 H GLY 73 H GLY 73 12.454 -1.487 4.164 546 HA2 GLY 73 HA3 GLY 73 14.526 -2.497 3.771 547 HA3 GLY 73 HA2 GLY 73 13.764 -4.083 3.798 548 H TYR 74 H TYR 74 12.424 -1.507 1.894 549 HA TYR 74 HA TYR 74 13.583 -2.574 -0.608 550 HB2 TYR 74 HB3 TYR 74 10.746 -1.475 -0.228 551 HB3 TYR 74 HB2 TYR 74 11.436 -2.062 -1.747 552 HD1 TYR 74 HD1 TYR 74 12.422 -4.539 -1.643 553 HD2 TYR 74 HD2 TYR 74 9.483 -3.002 1.058 554 HE1 TYR 74 HE1 TYR 74 11.798 -6.831 -1.015 555 HE2 TYR 74 HE2 TYR 74 8.856 -5.298 1.676 556 HH TYR 74 HH TYR 74 9.010 -7.568 0.798 557 H GLU 75 H GLU 75 14.634 -1.115 -1.797 558 HA GLU 75 HA GLU 75 14.805 1.627 -0.979 559 HB2 GLU 75 HB3 GLU 75 16.332 1.821 -3.027 560 HB3 GLU 75 HB2 GLU 75 16.827 0.727 -1.743 561 HG2 GLU 75 HG3 GLU 75 15.683 -1.130 -3.223 562 HG3 GLU 75 HG2 GLU 75 15.839 0.069 -4.509 563 H ALA 76 H ALA 76 13.368 3.052 -1.423 564 HA ALA 76 HA ALA 76 11.810 3.028 -3.934 565 HB1 ALA 76 HB1 ALA 76 9.956 3.999 -2.645 566 HB2 ALA 76 HB2 ALA 76 10.914 3.871 -1.165 567 HB3 ALA 76 HB3 ALA 76 10.415 2.412 -2.026 568 H GLN 77 H GLN 77 12.114 4.771 -5.133 569 HA GLN 77 HA GLN 77 13.110 7.288 -3.909 570 HB2 GLN 77 HB3 GLN 77 13.898 6.087 -6.611 571 HB3 GLN 77 HB2 GLN 77 14.361 7.688 -6.047 572 HG2 GLN 77 HG3 GLN 77 15.161 5.072 -4.741 573 HG3 GLN 77 HG2 GLN 77 16.183 6.047 -5.797 574 HE21 GLN 77 HE21 GLN 77 16.573 5.238 -2.983 575 HE22 GLN 77 HE22 GLN 77 16.783 6.706 -2.098 576 H LEU 78 H LEU 78 12.580 9.214 -5.147 577 HA LEU 78 HA LEU 78 9.884 9.441 -5.930 578 HB2 LEU 78 HB3 LEU 78 12.257 11.277 -6.508 579 HB3 LEU 78 HB2 LEU 78 10.596 11.692 -6.885 580 HG LEU 78 HG LEU 78 11.156 12.860 -4.882 581 HD11 LEU 78 HD11 LEU 78 8.911 11.927 -4.907 582 HD12 LEU 78 HD12 LEU 78 9.537 12.053 -3.268 583 HD13 LEU 78 HD13 LEU 78 9.476 10.479 -4.066 584 HD21 LEU 78 HD21 LEU 78 13.129 11.610 -4.157 585 HD22 LEU 78 HD22 LEU 78 12.119 10.265 -3.624 586 HD23 LEU 78 HD23 LEU 78 12.006 11.832 -2.816 587 H SER 79 H SER 79 12.889 9.149 -7.772 588 HA SER 79 HA SER 79 11.979 9.346 -10.381 589 HB2 SER 79 HB3 SER 79 14.285 7.674 -9.309 590 HB3 SER 79 HB2 SER 79 14.065 8.141 -10.996 591 HG SER 79 HG SER 79 13.921 10.387 -9.679 592 H ASP 80 H ASP 80 12.027 6.493 -8.256 593 HA ASP 80 HA ASP 80 11.232 4.600 -10.249 594 HB2 ASP 80 HB3 ASP 80 11.197 4.500 -7.210 595 HB3 ASP 80 HB2 ASP 80 10.624 3.155 -8.192 596 H LEU 81 H LEU 81 9.428 6.701 -8.061 597 HA LEU 81 HA LEU 81 6.864 5.451 -8.570 598 HB2 LEU 81 HB3 LEU 81 7.704 8.002 -7.145 599 HB3 LEU 81 HB2 LEU 81 6.006 7.629 -7.409 600 HG LEU 81 HG LEU 81 7.883 5.736 -5.930 601 HD11 LEU 81 HD11 LEU 81 6.961 6.563 -3.833 602 HD12 LEU 81 HD12 LEU 81 5.994 7.766 -4.693 603 HD13 LEU 81 HD13 LEU 81 7.756 7.870 -4.709 604 HD21 LEU 81 HD21 LEU 81 5.875 4.680 -6.871 605 HD22 LEU 81 HD22 LEU 81 4.847 5.858 -6.050 606 HD23 LEU 81 HD23 LEU 81 5.807 4.712 -5.109 607 H PHE 82 H PHE 82 8.617 8.247 -9.910 608 HA PHE 82 HA PHE 82 6.470 9.074 -11.661 609 HB2 PHE 82 HB3 PHE 82 9.439 9.766 -11.601 610 HB3 PHE 82 HB2 PHE 82 8.353 10.402 -12.828 611 HD1 PHE 82 HD1 PHE 82 9.645 10.920 -9.507 612 HD2 PHE 82 HD2 PHE 82 6.310 11.772 -12.038 613 HE1 PHE 82 HE1 PHE 82 9.020 12.802 -8.051 614 HE2 PHE 82 HE2 PHE 82 5.691 13.652 -10.578 615 HZ PHE 82 HZ PHE 82 7.042 14.166 -8.589 616 H ASN 83 H ASN 83 9.171 6.831 -11.893 617 HA ASN 83 HA ASN 83 8.912 6.343 -14.747 618 HB2 ASN 83 HB3 ASN 83 11.099 6.153 -13.553 619 HB3 ASN 83 HB2 ASN 83 10.477 4.815 -12.596 620 HD21 ASN 83 HD21 ASN 83 12.177 3.493 -13.344 621 HD22 ASN 83 HD22 ASN 83 12.186 2.820 -14.937 622 H HIS 84 H HIS 84 7.758 4.905 -11.757 623 HA HIS 84 HA HIS 84 6.119 2.930 -13.242 624 HB2 HIS 84 HB3 HIS 84 7.486 2.442 -10.545 625 HB3 HIS 84 HB2 HIS 84 6.423 1.318 -11.383 626 HD1 HIS 84 HD1 HIS 84 7.532 -0.295 -12.952 627 HD2 HIS 84 HD2 HIS 84 10.059 2.815 -11.870 628 HE1 HIS 84 HE1 HIS 84 9.772 -0.890 -13.899 629 HE2 HIS 84 HE2 HIS 84 11.230 1.088 -13.403 630 HA PRO 85 HA PRO 85 3.426 5.618 -10.570 631 HB2 PRO 85 HB3 PRO 85 1.452 5.444 -12.779 632 HB3 PRO 85 HB2 PRO 85 2.252 6.876 -12.099 633 HG2 PRO 85 HG3 PRO 85 2.802 5.954 -14.588 634 HG3 PRO 85 HG2 PRO 85 4.024 6.778 -13.591 635 HD2 PRO 85 HD3 PRO 85 3.634 3.813 -14.043 636 HD3 PRO 85 HD2 PRO 85 5.136 4.774 -14.039 637 H ARG 86 H ARG 86 2.439 2.828 -12.565 638 HA ARG 86 HA ARG 86 0.191 1.955 -11.171 639 HB2 ARG 86 HB3 ARG 86 1.562 1.165 -13.454 640 HB3 ARG 86 HB2 ARG 86 1.952 -0.152 -12.368 641 HG2 ARG 86 HG3 ARG 86 0.070 -0.980 -13.390 642 HG3 ARG 86 HG2 ARG 86 -0.654 -0.233 -11.964 643 HD2 ARG 86 HD3 ARG 86 -2.036 0.499 -13.720 644 HD3 ARG 86 HD2 ARG 86 -0.940 1.869 -13.506 645 HE ARG 86 HE ARG 86 -0.396 -0.213 -15.530 646 HH11 ARG 86 HH11 ARG 86 -0.992 3.191 -14.820 647 HH12 ARG 86 HH12 ARG 86 -0.619 3.697 -16.443 648 HH21 ARG 86 HH21 ARG 86 0.040 0.466 -17.636 649 HH22 ARG 86 HH22 ARG 86 -0.036 2.157 -18.030 650 H LEU 87 H LEU 87 -0.110 0.409 -9.513 651 HA LEU 87 HA LEU 87 1.749 0.385 -7.391 652 HB2 LEU 87 HB3 LEU 87 -0.773 0.176 -7.258 653 HB3 LEU 87 HB2 LEU 87 -0.624 -1.493 -7.761 654 HG LEU 87 HG LEU 87 0.635 -0.416 -5.191 655 HD11 LEU 87 HD11 LEU 87 -1.791 -0.104 -5.097 656 HD12 LEU 87 HD12 LEU 87 -1.263 -1.354 -3.982 657 HD13 LEU 87 HD13 LEU 87 -2.050 -1.806 -5.498 658 HD21 LEU 87 HD21 LEU 87 0.661 -2.776 -4.469 659 HD22 LEU 87 HD22 LEU 87 1.638 -2.522 -5.910 660 HD23 LEU 87 HD23 LEU 87 0.047 -3.271 -6.052 661 H ALA 88 H ALA 88 0.650 -2.321 -9.467 662 HA ALA 88 HA ALA 88 2.403 -4.277 -8.418 663 HB1 ALA 88 HB1 ALA 88 0.332 -4.826 -9.630 664 HB2 ALA 88 HB2 ALA 88 1.721 -5.637 -10.356 665 HB3 ALA 88 HB3 ALA 88 1.032 -4.204 -11.125 666 H ASP 89 H ASP 89 2.764 -1.940 -10.995 667 HA ASP 89 HA ASP 89 5.089 -3.055 -12.251 668 HB2 ASP 89 HB3 ASP 89 3.434 -1.563 -13.375 669 HB3 ASP 89 HB2 ASP 89 3.952 -0.227 -12.361 670 H PHE 90 H PHE 90 4.515 -0.648 -9.734 671 HA PHE 90 HA PHE 90 7.267 0.116 -9.363 672 HB2 PHE 90 HB3 PHE 90 5.458 1.660 -8.762 673 HB3 PHE 90 HB2 PHE 90 4.797 0.502 -7.611 674 HD1 PHE 90 HD1 PHE 90 5.432 0.671 -5.348 675 HD2 PHE 90 HD2 PHE 90 7.929 2.463 -8.326 676 HE1 PHE 90 HE1 PHE 90 6.856 1.615 -3.593 677 HE2 PHE 90 HE2 PHE 90 9.343 3.410 -6.547 678 HZ PHE 90 HZ PHE 90 8.817 2.986 -4.183 679 H ALA 91 H ALA 91 5.068 -2.215 -7.894 680 HA ALA 91 HA ALA 91 6.724 -3.132 -5.785 681 HB1 ALA 91 HB1 ALA 91 4.298 -3.526 -5.838 682 HB2 ALA 91 HB2 ALA 91 5.171 -5.054 -5.711 683 HB3 ALA 91 HB3 ALA 91 4.481 -4.558 -7.259 684 H ALA 92 H ALA 92 6.518 -3.849 -9.196 685 HA ALA 92 HA ALA 92 8.142 -6.189 -9.286 686 HB1 ALA 92 HB1 ALA 92 8.229 -5.767 -11.716 687 HB2 ALA 92 HB2 ALA 92 7.553 -4.151 -11.468 688 HB3 ALA 92 HB3 ALA 92 6.589 -5.579 -11.092 689 H THR 93 H THR 93 8.896 -2.716 -9.304 690 HA THR 93 HA THR 93 11.640 -3.166 -10.220 691 HB THR 93 HB THR 93 10.225 -1.184 -11.021 692 HG1 THR 93 HG1 THR 93 12.887 -1.045 -10.106 693 HG21 THR 93 HG21 THR 93 9.368 -0.356 -8.866 694 HG22 THR 93 HG22 THR 93 10.313 0.887 -9.684 695 HG23 THR 93 HG23 THR 93 11.014 -0.005 -8.333 696 H LEU 94 H LEU 94 10.096 -3.155 -7.195 697 HA LEU 94 HA LEU 94 12.059 -1.839 -5.603 698 HB2 LEU 94 HB3 LEU 94 9.939 -3.886 -4.848 699 HB3 LEU 94 HB2 LEU 94 11.006 -3.145 -3.666 700 HG LEU 94 HG LEU 94 8.938 -1.694 -5.366 701 HD11 LEU 94 HD11 LEU 94 9.028 -2.225 -2.373 702 HD12 LEU 94 HD12 LEU 94 7.958 -3.002 -3.545 703 HD13 LEU 94 HD13 LEU 94 7.807 -1.278 -3.229 704 HD21 LEU 94 HD21 LEU 94 10.870 -0.540 -3.320 705 HD22 LEU 94 HD22 LEU 94 9.535 0.331 -4.082 706 HD23 LEU 94 HD23 LEU 94 10.879 -0.245 -5.061 707 H ARG 95 H ARG 95 13.977 -2.468 -4.931 708 HA ARG 95 HA ARG 95 14.833 -5.304 -5.073 709 HB2 ARG 95 HB3 ARG 95 16.265 -3.774 -6.335 710 HB3 ARG 95 HB2 ARG 95 16.411 -2.679 -4.967 711 HG2 ARG 95 HG3 ARG 95 17.667 -4.429 -3.728 712 HG3 ARG 95 HG2 ARG 95 17.550 -5.494 -5.130 713 HD2 ARG 95 HD3 ARG 95 18.891 -3.942 -6.461 714 HD3 ARG 95 HD2 ARG 95 18.924 -2.780 -5.126 715 HE ARG 95 HE ARG 95 19.981 -5.013 -4.007 716 HH11 ARG 95 HH11 ARG 95 20.810 -3.205 -6.924 717 HH12 ARG 95 HH12 ARG 95 22.492 -3.642 -6.850 718 HH21 ARG 95 HH21 ARG 95 22.191 -5.571 -3.931 719 HH22 ARG 95 HH22 ARG 95 23.270 -4.977 -5.160 720 H LYS 96 H LYS 96 15.574 -6.342 -3.210 721 HA LYS 96 HA LYS 96 14.851 -5.396 -0.622 722 HB2 LYS 96 HB3 LYS 96 16.676 -7.670 -1.509 723 HB3 LYS 96 HB2 LYS 96 16.320 -7.346 0.185 724 HG2 LYS 96 HG3 LYS 96 13.905 -7.753 -0.261 725 HG3 LYS 96 HG2 LYS 96 14.296 -8.144 -1.944 726 HD2 LYS 96 HD3 LYS 96 15.652 -10.052 -1.247 727 HD3 LYS 96 HD2 LYS 96 15.475 -9.617 0.456 728 HE2 LYS 96 HE3 LYS 96 13.046 -10.074 0.308 729 HE3 LYS 96 HE2 LYS 96 13.241 -10.529 -1.389 730 HZ1 LYS 96 HZ1 LYS 96 14.688 -12.335 -0.713 731 HZ2 LYS 96 HZ2 LYS 96 13.203 -12.459 0.076 732 HZ3 LYS 96 HZ3 LYS 96 14.552 -11.884 0.911 733 H THR 97 H THR 97 15.798 -3.575 0.071 734 HA THR 97 HA THR 97 18.574 -2.906 -0.161 735 HB THR 97 HB THR 97 16.412 -1.778 1.685 736 HG1 THR 97 HG1 THR 97 17.094 -1.393 -0.990 737 HG21 THR 97 HG21 THR 97 18.691 -1.140 2.447 738 HG22 THR 97 HG22 THR 97 17.805 0.240 1.806 739 HG23 THR 97 HG23 THR 97 19.058 -0.523 0.830 740 H ASP 98 H ASP 98 20.211 -3.362 1.240 741 HA ASP 98 HA ASP 98 19.933 -4.977 3.581 742 HB2 ASP 98 HB3 ASP 98 22.220 -3.123 2.759 743 HB3 ASP 98 HB2 ASP 98 22.309 -4.361 4.010 744 H VAL 99 H VAL 99 18.760 -4.232 5.246 745 HA VAL 99 HA VAL 99 18.310 -1.530 5.969 746 HB VAL 99 HB VAL 99 17.376 -2.475 8.104 747 HG11 VAL 99 HG11 VAL 99 15.541 -3.780 7.086 748 HG12 VAL 99 HG12 VAL 99 16.481 -3.972 5.605 749 HG13 VAL 99 HG13 VAL 99 15.944 -2.368 6.107 750 HG21 VAL 99 HG21 VAL 99 18.991 -4.294 8.475 751 HG22 VAL 99 HG22 VAL 99 18.379 -5.161 7.065 752 HG23 VAL 99 HG23 VAL 99 17.344 -4.927 8.476 753 HA PRO 100 HA PRO 100 21.892 -0.165 8.367 754 HB2 PRO 100 HB3 PRO 100 20.059 0.150 10.763 755 HB3 PRO 100 HB2 PRO 100 21.245 1.292 10.084 756 HG2 PRO 100 HG3 PRO 100 18.678 1.665 9.596 757 HG3 PRO 100 HG2 PRO 100 19.860 1.876 8.282 758 HD2 PRO 100 HD3 PRO 100 17.979 -0.425 8.783 759 HD3 PRO 100 HD2 PRO 100 18.458 0.331 7.244 760 H VAL 101 H VAL 101 19.869 -2.635 9.822 761 HA VAL 101 HA VAL 101 20.185 -4.453 11.108 762 HB VAL 101 HB VAL 101 23.111 -4.334 10.183 763 HG11 VAL 101 HG11 VAL 101 21.536 -6.699 11.304 764 HG12 VAL 101 HG12 VAL 101 22.838 -5.835 12.128 765 HG13 VAL 101 HG13 VAL 101 23.183 -6.755 10.666 766 HG21 VAL 101 HG21 VAL 101 20.768 -5.843 8.950 767 HG22 VAL 101 HG22 VAL 101 22.453 -5.930 8.426 768 HG23 VAL 101 HG23 VAL 101 21.559 -4.421 8.269 769 H GLU 102 H GLU 102 19.672 -3.133 12.927 770 HA GLU 102 HA GLU 102 21.604 -1.863 14.597 771 HB2 GLU 102 HB3 GLU 102 19.211 -1.224 14.572 772 HB3 GLU 102 HB2 GLU 102 18.769 -2.786 15.248 773 HG2 GLU 102 HG3 GLU 102 19.983 -2.231 17.328 774 HG3 GLU 102 HG2 GLU 102 20.454 -0.673 16.651 775 H GLN 103 H GLN 103 20.048 -5.026 14.630 776 HA GLN 103 HA GLN 103 21.913 -6.022 16.692 777 HB2 GLN 103 HB3 GLN 103 19.503 -6.457 17.108 778 HB3 GLN 103 HB2 GLN 103 19.357 -7.252 15.545 779 HG2 GLN 103 HG3 GLN 103 20.913 -9.012 16.296 780 HG3 GLN 103 HG2 GLN 103 21.051 -8.231 17.870 781 HE21 GLN 103 HE21 GLN 103 20.136 -10.919 17.202 782 HE22 GLN 103 HE22 GLN 103 18.533 -11.063 17.829 783 HA PRO 104 HA PRO 104 24.020 -7.665 12.888 784 HB2 PRO 104 HB3 PRO 104 26.139 -8.202 14.960 785 HB3 PRO 104 HB2 PRO 104 26.280 -7.411 13.372 786 HG2 PRO 104 HG3 PRO 104 26.391 -5.966 15.604 787 HG3 PRO 104 HG2 PRO 104 25.531 -5.342 14.175 788 HD2 PRO 104 HD3 PRO 104 24.386 -6.616 16.665 789 HD3 PRO 104 HD2 PRO 104 23.833 -5.178 15.770 790 H PHE 105 H PHE 105 22.571 -9.390 12.752 791 HA PHE 105 HA PHE 105 22.293 -11.578 14.488 792 HB2 PHE 105 HB3 PHE 105 21.847 -11.472 11.474 793 HB3 PHE 105 HB2 PHE 105 21.211 -12.712 12.552 794 HD1 PHE 105 HD1 PHE 105 20.533 -9.529 11.027 795 HD2 PHE 105 HD2 PHE 105 19.630 -11.914 14.467 796 HE1 PHE 105 HE1 PHE 105 18.506 -8.180 11.438 797 HE2 PHE 105 HE2 PHE 105 17.611 -10.565 14.863 798 HZ PHE 105 HZ PHE 105 17.049 -8.698 13.356 799 H VAL 106 H VAL 106 24.357 -11.102 11.666 800 HA VAL 106 HA VAL 106 26.425 -12.755 12.758 801 HB VAL 106 HB VAL 106 25.250 -14.539 11.650 802 HG11 VAL 106 HG11 VAL 106 23.853 -13.274 10.101 803 HG12 VAL 106 HG12 VAL 106 24.682 -14.581 9.253 804 HG13 VAL 106 HG13 VAL 106 25.252 -12.916 9.087 805 HG21 VAL 106 HG21 VAL 106 26.948 -15.389 10.077 806 HG22 VAL 106 HG22 VAL 106 27.711 -14.620 11.468 807 HG23 VAL 106 HG23 VAL 106 27.638 -13.770 9.924 808 H HIS 107 H HIS 107 27.419 -10.739 12.880 809 HA HIS 107 HA HIS 107 29.036 -10.071 10.586 810 HB2 HIS 107 HB3 HIS 107 26.980 -8.625 10.216 811 HB3 HIS 107 HB2 HIS 107 27.297 -7.825 11.751 812 HD1 HIS 107 HD1 HIS 107 29.768 -6.574 11.833 813 HD2 HIS 107 HD2 HIS 107 28.200 -7.418 8.071 814 HE1 HIS 107 HE1 HIS 107 31.074 -5.147 10.220 815 HE2 HIS 107 HE2 HIS 107 30.024 -5.597 7.979 816 H SER 108 H SER 108 30.815 -10.585 11.800 817 HA SER 108 HA SER 108 31.351 -9.287 14.364 818 HB2 SER 108 HB3 SER 108 33.007 -11.288 12.771 819 HB3 SER 108 HB2 SER 108 33.415 -10.691 14.384 820 HG SER 108 HG SER 108 31.052 -11.514 14.751 821 HA PRO 109 HA PRO 109 33.834 -6.188 12.050 822 HB2 PRO 109 HB3 PRO 109 33.704 -4.192 13.850 823 HB3 PRO 109 HB2 PRO 109 32.263 -4.666 12.926 824 HG2 PRO 109 HG3 PRO 109 32.987 -5.334 15.756 825 HG3 PRO 109 HG2 PRO 109 31.412 -4.867 15.076 826 HD2 PRO 109 HD3 PRO 109 32.222 -7.501 15.574 827 HD3 PRO 109 HD2 PRO 109 30.905 -7.024 14.478 828 H GLU 110 H GLU 110 35.869 -4.873 12.725 829 HA GLU 110 HA GLU 110 37.746 -6.748 13.951 830 HB2 GLU 110 HB3 GLU 110 38.260 -4.083 12.567 831 HB3 GLU 110 HB2 GLU 110 39.495 -5.246 13.047 832 HG2 GLU 110 HG3 GLU 110 38.588 -6.887 11.453 833 HG3 GLU 110 HG2 GLU 110 37.316 -5.753 10.998 834 H ASP 111 H ASP 111 38.586 -6.541 15.967 835 HA ASP 111 HA ASP 111 37.838 -4.271 17.630 836 HB2 ASP 111 HB3 ASP 111 38.668 -5.607 19.526 837 HB3 ASP 111 HB2 ASP 111 37.520 -6.517 18.561 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -25.590 -8.399 4.766 2 H2 GLY 1 H2 GLY 1 -25.375 -6.918 5.545 3 H3 GLY 1 H3 GLY 1 -24.852 -8.346 6.280 4 HA2 GLY 1 HA2 GLY 1 -23.743 -7.182 3.791 5 HA3 GLY 1 HA3 GLY 1 -22.980 -7.137 5.378 6 H THR 2 H THR 2 -24.404 -9.481 3.067 7 HA THR 2 HA THR 2 -22.840 -11.720 4.039 8 HB THR 2 HB THR 2 -23.923 -12.926 2.074 9 HG1 THR 2 HG1 THR 2 -24.254 -11.257 0.647 10 HG21 THR 2 HG21 THR 2 -26.209 -12.911 2.985 11 HG22 THR 2 HG22 THR 2 -25.870 -11.418 3.861 12 HG23 THR 2 HG23 THR 2 -25.029 -12.904 4.300 13 H ILE 3 H ILE 3 -20.747 -12.019 3.463 14 HA ILE 3 HA ILE 3 -19.564 -10.785 1.146 15 HB ILE 3 HB ILE 3 -18.104 -11.035 3.048 16 HG12 ILE 3 HG13 ILE 3 -17.223 -12.964 0.847 17 HG13 ILE 3 HG12 ILE 3 -17.040 -11.215 0.812 18 HG21 ILE 3 HG21 ILE 3 -19.133 -12.967 4.170 19 HG22 ILE 3 HG22 ILE 3 -17.387 -13.165 4.028 20 HG23 ILE 3 HG23 ILE 3 -18.466 -14.043 2.942 21 HD11 ILE 3 HD11 ILE 3 -14.940 -12.258 1.337 22 HD12 ILE 3 HD12 ILE 3 -15.657 -13.122 2.697 23 HD13 ILE 3 HD13 ILE 3 -15.516 -11.363 2.743 24 H ASP 4 H ASP 4 -20.305 -11.493 -0.752 25 HA ASP 4 HA ASP 4 -20.884 -14.250 -1.356 26 HB2 ASP 4 HB3 ASP 4 -21.307 -13.529 -3.644 27 HB3 ASP 4 HB2 ASP 4 -22.081 -12.410 -2.535 28 H TYR 5 H TYR 5 -19.529 -15.751 -2.158 29 HA TYR 5 HA TYR 5 -16.754 -15.113 -2.725 30 HB2 TYR 5 HB3 TYR 5 -18.228 -17.770 -3.056 31 HB3 TYR 5 HB2 TYR 5 -16.485 -17.536 -3.143 32 HD1 TYR 5 HD1 TYR 5 -19.385 -17.741 -0.887 33 HD2 TYR 5 HD2 TYR 5 -15.159 -17.122 -1.085 34 HE1 TYR 5 HE1 TYR 5 -19.228 -18.058 1.537 35 HE2 TYR 5 HE2 TYR 5 -15.003 -17.448 1.354 36 HH TYR 5 HH TYR 5 -16.461 -17.264 3.338 37 H GLN 6 H GLN 6 -19.590 -14.830 -4.442 38 HA GLN 6 HA GLN 6 -19.322 -16.203 -6.832 39 HB2 GLN 6 HB3 GLN 6 -20.713 -13.525 -6.426 40 HB3 GLN 6 HB2 GLN 6 -21.025 -14.667 -7.730 41 HG2 GLN 6 HG3 GLN 6 -21.881 -16.303 -6.125 42 HG3 GLN 6 HG2 GLN 6 -21.505 -15.214 -4.791 43 HE21 GLN 6 HE21 GLN 6 -22.950 -14.280 -7.907 44 HE22 GLN 6 HE22 GLN 6 -24.460 -13.778 -7.237 45 H ALA 7 H ALA 7 -18.510 -12.764 -6.260 46 HA ALA 7 HA ALA 7 -17.608 -12.307 -8.924 47 HB1 ALA 7 HB1 ALA 7 -16.869 -10.107 -8.116 48 HB2 ALA 7 HB2 ALA 7 -17.118 -10.624 -6.446 49 HB3 ALA 7 HB3 ALA 7 -18.491 -10.489 -7.543 50 H LEU 8 H LEU 8 -15.951 -13.307 -5.967 51 HA LEU 8 HA LEU 8 -13.323 -13.006 -7.262 52 HB2 LEU 8 HB3 LEU 8 -12.373 -13.524 -5.020 53 HB3 LEU 8 HB2 LEU 8 -13.405 -12.114 -5.047 54 HG LEU 8 HG LEU 8 -15.261 -13.676 -4.075 55 HD11 LEU 8 HD11 LEU 8 -12.859 -15.398 -3.400 56 HD12 LEU 8 HD12 LEU 8 -14.218 -15.839 -4.434 57 HD13 LEU 8 HD13 LEU 8 -14.478 -15.576 -2.714 58 HD21 LEU 8 HD21 LEU 8 -14.539 -13.276 -1.762 59 HD22 LEU 8 HD22 LEU 8 -14.211 -11.870 -2.773 60 HD23 LEU 8 HD23 LEU 8 -12.893 -12.949 -2.315 61 H LYS 9 H LYS 9 -15.609 -15.336 -7.333 62 HA LYS 9 HA LYS 9 -14.246 -17.698 -6.489 63 HB2 LYS 9 HB3 LYS 9 -16.778 -17.442 -6.619 64 HB3 LYS 9 HB2 LYS 9 -16.651 -17.546 -8.371 65 HG2 LYS 9 HG3 LYS 9 -17.308 -19.711 -7.480 66 HG3 LYS 9 HG2 LYS 9 -15.672 -19.825 -8.133 67 HD2 LYS 9 HD3 LYS 9 -14.759 -19.609 -5.827 68 HD3 LYS 9 HD2 LYS 9 -16.406 -19.543 -5.194 69 HE2 LYS 9 HE3 LYS 9 -16.824 -21.817 -6.050 70 HE3 LYS 9 HE2 LYS 9 -15.182 -21.871 -6.701 71 HZ1 LYS 9 HZ1 LYS 9 -15.248 -23.007 -4.611 72 HZ2 LYS 9 HZ2 LYS 9 -15.930 -21.674 -3.831 73 HZ3 LYS 9 HZ3 LYS 9 -14.347 -21.592 -4.420 74 H ARG 10 H ARG 10 -12.275 -17.706 -7.500 75 HA ARG 10 HA ARG 10 -10.646 -18.031 -9.027 76 HB2 ARG 10 HB3 ARG 10 -12.051 -20.260 -9.017 77 HB3 ARG 10 HB2 ARG 10 -12.575 -19.752 -10.620 78 HG2 ARG 10 HG3 ARG 10 -10.727 -21.279 -10.869 79 HG3 ARG 10 HG2 ARG 10 -10.173 -19.668 -11.326 80 HD2 ARG 10 HD3 ARG 10 -9.195 -19.451 -8.988 81 HD3 ARG 10 HD2 ARG 10 -9.606 -21.148 -8.732 82 HE ARG 10 HE ARG 10 -7.831 -20.329 -10.946 83 HH11 ARG 10 HH11 ARG 10 -8.315 -22.178 -7.986 84 HH12 ARG 10 HH12 ARG 10 -6.826 -23.049 -8.148 85 HH21 ARG 10 HH21 ARG 10 -5.875 -21.440 -11.124 86 HH22 ARG 10 HH22 ARG 10 -5.436 -22.624 -9.939 87 H ARG 11 H ARG 11 -11.614 -15.662 -9.378 88 HA ARG 11 HA ARG 11 -13.223 -15.042 -11.584 89 HB2 ARG 11 HB3 ARG 11 -12.945 -13.580 -9.590 90 HB3 ARG 11 HB2 ARG 11 -11.294 -13.219 -10.092 91 HG2 ARG 11 HG3 ARG 11 -12.163 -12.164 -12.156 92 HG3 ARG 11 HG2 ARG 11 -13.813 -12.510 -11.635 93 HD2 ARG 11 HD3 ARG 11 -13.423 -11.090 -9.617 94 HD3 ARG 11 HD2 ARG 11 -11.823 -10.684 -10.255 95 HE ARG 11 HE ARG 11 -13.661 -10.093 -12.256 96 HH11 ARG 11 HH11 ARG 11 -13.000 -8.966 -8.990 97 HH12 ARG 11 HH12 ARG 11 -13.582 -7.364 -9.300 98 HH21 ARG 11 HH21 ARG 11 -14.351 -7.967 -12.663 99 HH22 ARG 11 HH22 ARG 11 -14.345 -6.803 -11.378 100 H HIS 12 H HIS 12 -12.582 -15.682 -13.563 101 HA HIS 12 HA HIS 12 -9.845 -15.326 -14.523 102 HB2 HIS 12 HB3 HIS 12 -12.287 -16.609 -15.815 103 HB3 HIS 12 HB2 HIS 12 -10.692 -16.529 -16.568 104 HD1 HIS 12 HD1 HIS 12 -12.615 -18.947 -15.021 105 HD2 HIS 12 HD2 HIS 12 -8.732 -17.636 -14.350 106 HE1 HIS 12 HE1 HIS 12 -11.467 -20.818 -13.810 107 HE2 HIS 12 HE2 HIS 12 -9.185 -19.930 -13.284 108 H THR 13 H THR 13 -9.934 -12.991 -14.367 109 HA THR 13 HA THR 13 -10.215 -11.987 -17.043 110 HB THR 13 HB THR 13 -12.419 -11.320 -16.371 111 HG1 THR 13 HG1 THR 13 -11.342 -9.737 -17.537 112 HG21 THR 13 HG21 THR 13 -12.909 -9.885 -14.402 113 HG22 THR 13 HG22 THR 13 -11.225 -10.018 -13.894 114 HG23 THR 13 HG23 THR 13 -12.248 -11.453 -13.922 115 HA PRO 14 HA PRO 14 -6.446 -10.245 -15.075 116 HB2 PRO 14 HB3 PRO 14 -4.644 -11.148 -16.879 117 HB3 PRO 14 HB2 PRO 14 -5.292 -12.234 -15.632 118 HG2 PRO 14 HG3 PRO 14 -6.063 -12.017 -18.519 119 HG3 PRO 14 HG2 PRO 14 -5.817 -13.471 -17.526 120 HD2 PRO 14 HD3 PRO 14 -8.312 -12.369 -18.054 121 HD3 PRO 14 HD2 PRO 14 -7.946 -13.395 -16.652 122 H GLU 15 H GLU 15 -4.604 -9.049 -16.646 123 HA GLU 15 HA GLU 15 -5.894 -6.739 -17.605 124 HB2 GLU 15 HB3 GLU 15 -3.591 -6.649 -16.758 125 HB3 GLU 15 HB2 GLU 15 -3.028 -7.645 -18.100 126 HG2 GLU 15 HG3 GLU 15 -3.668 -5.865 -19.699 127 HG3 GLU 15 HG2 GLU 15 -4.256 -4.871 -18.371 128 H ALA 16 H ALA 16 -6.852 -6.355 -19.445 129 HA ALA 16 HA ALA 16 -5.581 -6.778 -21.972 130 HB1 ALA 16 HB1 ALA 16 -7.440 -7.964 -23.102 131 HB2 ALA 16 HB2 ALA 16 -8.281 -8.151 -21.560 132 HB3 ALA 16 HB3 ALA 16 -6.741 -8.968 -21.832 133 H GLU 17 H GLU 17 -8.855 -6.285 -20.666 134 HA GLU 17 HA GLU 17 -8.879 -3.487 -21.641 135 HB2 GLU 17 HB3 GLU 17 -11.238 -5.428 -21.669 136 HB3 GLU 17 HB2 GLU 17 -11.280 -3.744 -22.178 137 HG2 GLU 17 HG3 GLU 17 -9.792 -4.252 -24.064 138 HG3 GLU 17 HG2 GLU 17 -9.677 -5.931 -23.539 139 H ASN 18 H ASN 18 -10.093 -2.070 -20.345 140 HA ASN 18 HA ASN 18 -10.729 -1.066 -18.433 141 HB2 ASN 18 HB3 ASN 18 -12.098 -3.713 -17.812 142 HB3 ASN 18 HB2 ASN 18 -12.482 -2.148 -17.087 143 HD21 ASN 18 HD21 ASN 18 -13.530 -0.568 -18.377 144 HD22 ASN 18 HD22 ASN 18 -14.390 -1.005 -19.808 145 HA PRO 19 HA PRO 19 -7.543 -3.278 -15.747 146 HB2 PRO 19 HB3 PRO 19 -5.442 -1.382 -16.409 147 HB3 PRO 19 HB2 PRO 19 -5.551 -3.088 -16.882 148 HG2 PRO 19 HG3 PRO 19 -5.716 -0.974 -18.658 149 HG3 PRO 19 HG2 PRO 19 -6.375 -2.597 -18.966 150 HD2 PRO 19 HD3 PRO 19 -7.818 -0.130 -17.978 151 HD3 PRO 19 HD2 PRO 19 -8.324 -1.317 -19.210 152 H ALA 20 H ALA 20 -8.478 -2.674 -13.893 153 HA ALA 20 HA ALA 20 -7.682 -0.400 -12.383 154 HB1 ALA 20 HB1 ALA 20 -10.564 -0.342 -13.381 155 HB2 ALA 20 HB2 ALA 20 -9.290 0.775 -13.869 156 HB3 ALA 20 HB3 ALA 20 -9.847 0.760 -12.197 157 H GLU 21 H GLU 21 -10.286 -2.731 -12.919 158 HA GLU 21 HA GLU 21 -10.298 -3.515 -10.054 159 HB2 GLU 21 HB3 GLU 21 -12.387 -2.304 -11.342 160 HB3 GLU 21 HB2 GLU 21 -12.729 -3.964 -11.790 161 HG2 GLU 21 HG3 GLU 21 -12.342 -3.110 -8.912 162 HG3 GLU 21 HG2 GLU 21 -13.901 -3.013 -9.718 163 H ALA 22 H ALA 22 -10.653 -5.799 -9.704 164 HA ALA 22 HA ALA 22 -10.174 -8.000 -9.931 165 HB1 ALA 22 HB1 ALA 22 -10.035 -7.638 -12.939 166 HB2 ALA 22 HB2 ALA 22 -11.481 -8.071 -12.033 167 HB3 ALA 22 HB3 ALA 22 -10.100 -9.166 -12.056 168 H ASP 23 H ASP 23 -8.233 -5.598 -10.156 169 HA ASP 23 HA ASP 23 -5.785 -6.957 -11.084 170 HB2 ASP 23 HB3 ASP 23 -6.462 -3.990 -10.766 171 HB3 ASP 23 HB2 ASP 23 -4.849 -4.585 -11.143 172 H LEU 24 H LEU 24 -7.203 -7.174 -8.413 173 HA LEU 24 HA LEU 24 -6.063 -5.683 -6.377 174 HB2 LEU 24 HB3 LEU 24 -7.250 -8.471 -6.417 175 HB3 LEU 24 HB2 LEU 24 -6.600 -7.801 -4.932 176 HG LEU 24 HG LEU 24 -8.237 -5.871 -5.169 177 HD11 LEU 24 HD11 LEU 24 -9.489 -7.575 -7.336 178 HD12 LEU 24 HD12 LEU 24 -8.716 -6.004 -7.554 179 HD13 LEU 24 HD13 LEU 24 -10.200 -6.129 -6.612 180 HD21 LEU 24 HD21 LEU 24 -9.426 -8.642 -4.876 181 HD22 LEU 24 HD22 LEU 24 -10.153 -7.138 -4.301 182 HD23 LEU 24 HD23 LEU 24 -8.634 -7.702 -3.610 183 HA PRO 25 HA PRO 25 -1.716 -6.414 -6.077 184 HB2 PRO 25 HB3 PRO 25 -2.321 -6.830 -3.132 185 HB3 PRO 25 HB2 PRO 25 -1.048 -5.838 -3.884 186 HG2 PRO 25 HG3 PRO 25 -3.204 -4.649 -2.965 187 HG3 PRO 25 HG2 PRO 25 -2.558 -4.169 -4.553 188 HD2 PRO 25 HD3 PRO 25 -4.965 -5.859 -3.929 189 HD3 PRO 25 HD2 PRO 25 -4.724 -4.680 -5.237 190 H GLN 26 H GLN 26 -0.602 -8.206 -6.622 191 HA GLN 26 HA GLN 26 -1.632 -10.842 -5.774 192 HB2 GLN 26 HB3 GLN 26 0.200 -10.556 -8.173 193 HB3 GLN 26 HB2 GLN 26 -1.042 -11.752 -7.859 194 HG2 GLN 26 HG3 GLN 26 -2.040 -10.572 -9.558 195 HG3 GLN 26 HG2 GLN 26 -2.674 -9.691 -8.171 196 HE21 GLN 26 HE21 GLN 26 -2.228 -8.831 -10.953 197 HE22 GLN 26 HE22 GLN 26 -1.205 -7.450 -10.878 198 H GLY 27 H GLY 27 -0.295 -10.524 -3.739 199 HA2 GLY 27 HA3 GLY 27 1.383 -12.366 -3.193 200 HA3 GLY 27 HA2 GLY 27 2.479 -11.468 -4.229 201 H ASP 28 H ASP 28 3.963 -11.220 -2.673 202 HA ASP 28 HA ASP 28 3.330 -10.550 0.059 203 HB2 ASP 28 HB3 ASP 28 5.051 -12.233 -0.547 204 HB3 ASP 28 HB2 ASP 28 5.988 -10.991 -1.368 205 H ILE 29 H ILE 29 5.318 -9.018 -2.516 206 HA ILE 29 HA ILE 29 6.070 -6.733 -0.955 207 HB ILE 29 HB ILE 29 6.133 -6.926 -4.004 208 HG12 ILE 29 HG13 ILE 29 7.212 -8.953 -3.103 209 HG13 ILE 29 HG12 ILE 29 8.414 -7.895 -3.828 210 HG21 ILE 29 HG21 ILE 29 7.859 -5.354 -2.061 211 HG22 ILE 29 HG22 ILE 29 6.598 -4.694 -3.105 212 HG23 ILE 29 HG23 ILE 29 8.057 -5.388 -3.816 213 HD11 ILE 29 HD11 ILE 29 7.888 -8.240 -0.873 214 HD12 ILE 29 HD12 ILE 29 9.092 -7.156 -1.578 215 HD13 ILE 29 HD13 ILE 29 9.239 -8.898 -1.792 216 H GLU 30 H GLU 30 3.550 -7.545 -3.179 217 HA GLU 30 HA GLU 30 2.648 -5.000 -3.975 218 HB2 GLU 30 HB3 GLU 30 1.273 -7.724 -3.967 219 HB3 GLU 30 HB2 GLU 30 0.588 -6.285 -4.713 220 HG2 GLU 30 HG3 GLU 30 1.607 -7.727 -6.391 221 HG3 GLU 30 HG2 GLU 30 2.441 -6.180 -6.305 222 H LYS 31 H LYS 31 1.606 -7.197 -1.325 223 HA LYS 31 HA LYS 31 -0.658 -5.617 -0.577 224 HB2 LYS 31 HB3 LYS 31 -0.839 -7.040 1.375 225 HB3 LYS 31 HB2 LYS 31 -0.479 -8.033 -0.031 226 HG2 LYS 31 HG3 LYS 31 1.779 -8.407 0.676 227 HG3 LYS 31 HG2 LYS 31 1.691 -7.126 1.886 228 HD2 LYS 31 HD3 LYS 31 1.605 -9.275 2.988 229 HD3 LYS 31 HD2 LYS 31 0.045 -8.471 3.161 230 HE2 LYS 31 HE3 LYS 31 -0.323 -10.815 2.685 231 HE3 LYS 31 HE2 LYS 31 -0.817 -9.875 1.277 232 HZ1 LYS 31 HZ1 LYS 31 1.197 -10.460 0.166 233 HZ2 LYS 31 HZ2 LYS 31 0.492 -11.884 0.745 234 HZ3 LYS 31 HZ3 LYS 31 1.821 -11.212 1.545 235 H GLN 32 H GLN 32 2.742 -5.610 0.365 236 HA GLN 32 HA GLN 32 2.578 -3.975 2.673 237 HB2 GLN 32 HB3 GLN 32 4.598 -5.277 2.250 238 HB3 GLN 32 HB2 GLN 32 4.865 -4.461 0.715 239 HG2 GLN 32 HG3 GLN 32 6.430 -3.644 2.422 240 HG3 GLN 32 HG2 GLN 32 5.349 -2.354 1.893 241 HE21 GLN 32 HE21 GLN 32 5.664 -1.134 3.773 242 HE22 GLN 32 HE22 GLN 32 5.037 -1.606 5.310 243 H VAL 33 H VAL 33 3.484 -3.197 -0.689 244 HA VAL 33 HA VAL 33 3.567 -0.403 -0.499 245 HB VAL 33 HB VAL 33 2.860 -2.116 -2.935 246 HG11 VAL 33 HG11 VAL 33 2.254 0.241 -3.309 247 HG12 VAL 33 HG12 VAL 33 3.644 -0.207 -4.300 248 HG13 VAL 33 HG13 VAL 33 3.877 0.749 -2.834 249 HG21 VAL 33 HG21 VAL 33 5.023 -2.751 -1.927 250 HG22 VAL 33 HG22 VAL 33 5.570 -1.075 -2.023 251 HG23 VAL 33 HG23 VAL 33 5.258 -1.988 -3.502 252 H ALA 34 H ALA 34 0.877 -2.626 -1.067 253 HA ALA 34 HA ALA 34 -1.137 -0.788 -1.787 254 HB1 ALA 34 HB1 ALA 34 -2.723 -2.575 -1.246 255 HB2 ALA 34 HB2 ALA 34 -1.455 -3.470 -0.398 256 HB3 ALA 34 HB3 ALA 34 -1.347 -3.210 -2.141 257 H ALA 35 H ALA 35 -0.280 -2.169 1.395 258 HA ALA 35 HA ALA 35 -2.295 -0.873 2.910 259 HB1 ALA 35 HB1 ALA 35 0.412 -1.918 3.826 260 HB2 ALA 35 HB2 ALA 35 -1.073 -2.859 3.720 261 HB3 ALA 35 HB3 ALA 35 -0.964 -1.533 4.878 262 H LEU 36 H LEU 36 0.923 0.087 1.870 263 HA LEU 36 HA LEU 36 1.174 2.411 3.510 264 HB2 LEU 36 HB3 LEU 36 2.590 1.664 0.925 265 HB3 LEU 36 HB2 LEU 36 3.045 3.010 1.958 266 HG LEU 36 HG LEU 36 3.178 0.068 2.691 267 HD11 LEU 36 HD11 LEU 36 4.926 0.743 1.133 268 HD12 LEU 36 HD12 LEU 36 5.596 0.372 2.719 269 HD13 LEU 36 HD13 LEU 36 5.408 2.055 2.214 270 HD21 LEU 36 HD21 LEU 36 3.917 2.467 4.387 271 HD22 LEU 36 HD22 LEU 36 4.246 0.780 4.787 272 HD23 LEU 36 HD23 LEU 36 2.583 1.343 4.672 273 H TRP 37 H TRP 37 -0.019 1.850 0.197 274 HA TRP 37 HA TRP 37 -0.361 4.620 -0.474 275 HB2 TRP 37 HB3 TRP 37 -1.421 2.053 -1.715 276 HB3 TRP 37 HB2 TRP 37 -1.884 3.634 -2.335 277 HD1 TRP 37 HD1 TRP 37 1.754 3.133 -1.231 278 HE1 TRP 37 HE1 TRP 37 3.249 3.153 -3.316 279 HE3 TRP 37 HE3 TRP 37 -1.862 3.083 -4.838 280 HZ2 TRP 37 HZ2 TRP 37 2.961 3.131 -6.092 281 HZ3 TRP 37 HZ3 TRP 37 -1.157 3.091 -7.190 282 HH2 TRP 37 HH2 TRP 37 1.206 3.113 -7.800 283 H GLN 38 H GLN 38 -2.564 2.111 0.738 284 HA GLN 38 HA GLN 38 -4.920 3.704 0.862 285 HB2 GLN 38 HB3 GLN 38 -4.122 1.163 2.333 286 HB3 GLN 38 HB2 GLN 38 -5.716 1.897 2.500 287 HG2 GLN 38 HG3 GLN 38 -6.129 1.601 0.100 288 HG3 GLN 38 HG2 GLN 38 -4.507 0.942 -0.108 289 HE21 GLN 38 HE21 GLN 38 -5.236 -1.026 -0.923 290 HE22 GLN 38 HE22 GLN 38 -6.072 -2.195 0.036 291 H GLN 39 H GLN 39 -2.111 3.583 2.876 292 HA GLN 39 HA GLN 39 -3.366 4.865 5.169 293 HB2 GLN 39 HB3 GLN 39 -1.535 3.241 5.513 294 HB3 GLN 39 HB2 GLN 39 -0.440 4.237 4.562 295 HG2 GLN 39 HG3 GLN 39 -0.016 4.472 6.971 296 HG3 GLN 39 HG2 GLN 39 -0.531 6.005 6.269 297 HE21 GLN 39 HE21 GLN 39 -1.475 3.330 8.326 298 HE22 GLN 39 HE22 GLN 39 -2.812 4.126 9.079 299 H LEU 40 H LEU 40 -0.711 5.734 2.937 300 HA LEU 40 HA LEU 40 -0.367 8.376 3.815 301 HB2 LEU 40 HB3 LEU 40 0.573 6.786 1.428 302 HB3 LEU 40 HB2 LEU 40 0.860 8.514 1.453 303 HG LEU 40 HG LEU 40 2.815 7.156 2.200 304 HD11 LEU 40 HD11 LEU 40 1.767 9.019 4.350 305 HD12 LEU 40 HD12 LEU 40 2.650 9.493 2.897 306 HD13 LEU 40 HD13 LEU 40 3.447 8.519 4.128 307 HD21 LEU 40 HD21 LEU 40 1.155 6.418 4.632 308 HD22 LEU 40 HD22 LEU 40 2.881 6.106 4.426 309 HD23 LEU 40 HD23 LEU 40 1.714 5.318 3.369 310 H LEU 41 H LEU 41 -2.162 7.100 0.990 311 HA LEU 41 HA LEU 41 -3.067 9.758 0.207 312 HB2 LEU 41 HB3 LEU 41 -3.975 7.049 -0.831 313 HB3 LEU 41 HB2 LEU 41 -4.325 8.605 -1.562 314 HG LEU 41 HG LEU 41 -1.638 7.227 -1.430 315 HD11 LEU 41 HD11 LEU 41 -1.782 7.130 -3.881 316 HD12 LEU 41 HD12 LEU 41 -3.391 7.856 -3.818 317 HD13 LEU 41 HD13 LEU 41 -3.113 6.263 -3.113 318 HD21 LEU 41 HD21 LEU 41 -1.304 9.621 -1.138 319 HD22 LEU 41 HD22 LEU 41 -2.290 9.955 -2.565 320 HD23 LEU 41 HD23 LEU 41 -0.747 9.114 -2.732 321 H SER 42 H SER 42 -4.116 7.141 2.193 322 HA SER 42 HA SER 42 -5.917 6.661 3.443 323 HB2 SER 42 HB3 SER 42 -6.708 9.592 3.096 324 HB3 SER 42 HB2 SER 42 -7.259 8.495 4.371 325 HG SER 42 HG SER 42 -4.660 8.403 4.454 326 H THR 43 H THR 43 -6.166 5.707 1.037 327 HA THR 43 HA THR 43 -8.690 6.540 -0.243 328 HB THR 43 HB THR 43 -7.934 4.978 -2.098 329 HG1 THR 43 HG1 THR 43 -6.419 3.614 -1.566 330 HG21 THR 43 HG21 THR 43 -6.035 6.361 -2.919 331 HG22 THR 43 HG22 THR 43 -5.908 7.111 -1.327 332 HG23 THR 43 HG23 THR 43 -7.353 7.362 -2.304 333 H GLY 44 H GLY 44 -10.211 4.883 -0.917 334 HA2 GLY 44 HA3 GLY 44 -11.017 3.115 1.114 335 HA3 GLY 44 HA2 GLY 44 -11.626 3.131 -0.534 336 H ASN 45 H ASN 45 -9.585 2.441 -2.064 337 HA ASN 45 HA ASN 45 -8.123 0.157 -1.030 338 HB2 ASN 45 HB3 ASN 45 -8.932 -1.437 -2.735 339 HB3 ASN 45 HB2 ASN 45 -10.258 -0.913 -1.705 340 HD21 ASN 45 HD21 ASN 45 -11.833 -1.413 -3.177 341 HD22 ASN 45 HD22 ASN 45 -12.048 -0.576 -4.672 342 H VAL 46 H VAL 46 -6.436 -0.550 -2.460 343 HA VAL 46 HA VAL 46 -6.024 0.998 -4.930 344 HB VAL 46 HB VAL 46 -3.550 1.128 -4.490 345 HG11 VAL 46 HG11 VAL 46 -3.597 3.078 -2.992 346 HG12 VAL 46 HG12 VAL 46 -5.216 2.639 -2.438 347 HG13 VAL 46 HG13 VAL 46 -4.955 3.119 -4.116 348 HG21 VAL 46 HG21 VAL 46 -2.693 0.887 -2.190 349 HG22 VAL 46 HG22 VAL 46 -3.332 -0.632 -2.812 350 HG23 VAL 46 HG23 VAL 46 -4.273 0.312 -1.662 351 H THR 47 H THR 47 -5.589 -0.276 -6.604 352 HA THR 47 HA THR 47 -4.819 -3.116 -6.225 353 HB THR 47 HB THR 47 -5.970 -3.474 -8.436 354 HG1 THR 47 HG1 THR 47 -7.461 -1.495 -8.859 355 HG21 THR 47 HG21 THR 47 -7.765 -2.188 -6.328 356 HG22 THR 47 HG22 THR 47 -7.289 -3.886 -6.383 357 HG23 THR 47 HG23 THR 47 -8.312 -3.221 -7.656 358 H ARG 48 H ARG 48 -3.897 -3.890 -8.503 359 HA ARG 48 HA ARG 48 -1.345 -2.992 -8.918 360 HB2 ARG 48 HB3 ARG 48 -2.155 -5.124 -9.853 361 HB3 ARG 48 HB2 ARG 48 -3.188 -4.271 -10.991 362 HG2 ARG 48 HG3 ARG 48 -1.112 -3.329 -12.076 363 HG3 ARG 48 HG2 ARG 48 -0.149 -4.328 -10.986 364 HD2 ARG 48 HD3 ARG 48 -0.315 -5.503 -13.085 365 HD3 ARG 48 HD2 ARG 48 -1.337 -6.350 -11.923 366 HE ARG 48 HE ARG 48 -3.274 -5.457 -12.995 367 HH11 ARG 48 HH11 ARG 48 -0.300 -4.776 -14.730 368 HH12 ARG 48 HH12 ARG 48 -1.109 -4.430 -16.218 369 HH21 ARG 48 HH21 ARG 48 -4.323 -4.885 -14.943 370 HH22 ARG 48 HH22 ARG 48 -3.376 -4.490 -16.338 371 H GLU 49 H GLU 49 -4.264 -1.947 -10.625 372 HA GLU 49 HA GLU 49 -2.748 -0.091 -12.325 373 HB2 GLU 49 HB3 GLU 49 -5.589 -1.153 -12.488 374 HB3 GLU 49 HB2 GLU 49 -4.907 0.011 -13.618 375 HG2 GLU 49 HG3 GLU 49 -3.818 -2.772 -13.142 376 HG3 GLU 49 HG2 GLU 49 -4.871 -2.313 -14.474 377 H THR 50 H THR 50 -3.735 0.292 -9.387 378 HA THR 50 HA THR 50 -5.004 2.871 -9.585 379 HB THR 50 HB THR 50 -3.523 1.437 -7.342 380 HG1 THR 50 HG1 THR 50 -6.271 2.145 -7.630 381 HG21 THR 50 HG21 THR 50 -4.961 4.105 -7.177 382 HG22 THR 50 HG22 THR 50 -3.221 3.851 -7.005 383 HG23 THR 50 HG23 THR 50 -4.334 3.182 -5.815 384 H ASP 51 H ASP 51 -3.989 4.669 -10.228 385 HA ASP 51 HA ASP 51 -1.062 4.889 -10.265 386 HB2 ASP 51 HB3 ASP 51 -3.184 6.798 -11.332 387 HB3 ASP 51 HB2 ASP 51 -1.445 7.001 -11.517 388 H PHE 52 H PHE 52 -0.099 5.692 -8.503 389 HA PHE 52 HA PHE 52 -1.215 6.563 -6.170 390 HB2 PHE 52 HB3 PHE 52 1.184 5.894 -6.520 391 HB3 PHE 52 HB2 PHE 52 1.489 7.437 -7.294 392 HD1 PHE 52 HD1 PHE 52 0.917 5.719 -4.103 393 HD2 PHE 52 HD2 PHE 52 1.710 9.496 -5.942 394 HE1 PHE 52 HE1 PHE 52 1.506 6.662 -1.915 395 HE2 PHE 52 HE2 PHE 52 2.284 10.440 -3.743 396 HZ PHE 52 HZ PHE 52 2.178 9.022 -1.732 397 H PHE 53 H PHE 53 -0.028 8.629 -8.798 398 HA PHE 53 HA PHE 53 -0.490 11.094 -7.413 399 HB2 PHE 53 HB3 PHE 53 0.200 10.631 -10.345 400 HB3 PHE 53 HB2 PHE 53 0.343 12.156 -9.477 401 HD1 PHE 53 HD1 PHE 53 2.124 12.469 -7.774 402 HD2 PHE 53 HD2 PHE 53 1.862 8.868 -10.071 403 HE1 PHE 53 HE1 PHE 53 4.409 11.858 -7.100 404 HE2 PHE 53 HE2 PHE 53 4.146 8.272 -9.390 405 HZ PHE 53 HZ PHE 53 5.421 9.761 -7.902 406 H GLN 54 H GLN 54 -2.127 9.294 -9.973 407 HA GLN 54 HA GLN 54 -4.067 11.177 -10.754 408 HB2 GLN 54 HB3 GLN 54 -3.553 9.135 -12.040 409 HB3 GLN 54 HB2 GLN 54 -4.212 8.137 -10.748 410 HG2 GLN 54 HG3 GLN 54 -6.454 9.189 -11.171 411 HG3 GLN 54 HG2 GLN 54 -5.753 10.032 -12.551 412 HE21 GLN 54 HE21 GLN 54 -6.796 6.937 -11.302 413 HE22 GLN 54 HE22 GLN 54 -6.727 6.084 -12.805 414 H GLN 55 H GLN 55 -4.001 8.877 -8.072 415 HA GLN 55 HA GLN 55 -6.776 9.199 -7.331 416 HB2 GLN 55 HB3 GLN 55 -4.481 7.935 -5.776 417 HB3 GLN 55 HB2 GLN 55 -6.181 7.844 -5.330 418 HG2 GLN 55 HG3 GLN 55 -4.888 6.632 -7.780 419 HG3 GLN 55 HG2 GLN 55 -5.502 5.773 -6.372 420 HE21 GLN 55 HE21 GLN 55 -6.210 5.379 -9.145 421 HE22 GLN 55 HE22 GLN 55 -7.909 5.665 -9.275 422 H GLY 56 H GLY 56 -4.168 11.250 -6.959 423 HA2 GLY 56 HA3 GLY 56 -4.778 13.430 -5.967 424 HA3 GLY 56 HA2 GLY 56 -5.371 12.551 -4.564 425 H GLY 57 H GLY 57 -2.613 10.993 -5.664 426 HA2 GLY 57 HA3 GLY 57 -0.953 11.927 -3.507 427 HA3 GLY 57 HA2 GLY 57 -0.509 10.770 -4.755 428 H ASP 58 H ASP 58 1.146 12.837 -3.734 429 HA ASP 58 HA ASP 58 1.649 14.427 -6.185 430 HB2 ASP 58 HB3 ASP 58 0.800 15.933 -4.410 431 HB3 ASP 58 HB2 ASP 58 1.981 15.293 -3.272 432 H SER 59 H SER 59 4.010 15.038 -6.323 433 HA SER 59 HA SER 59 5.731 12.843 -6.184 434 HB2 SER 59 HB3 SER 59 7.545 14.596 -6.634 435 HB3 SER 59 HB2 SER 59 6.190 14.598 -7.760 436 HG SER 59 HG SER 59 6.979 16.517 -5.942 437 H LEU 60 H LEU 60 5.379 15.592 -3.934 438 HA LEU 60 HA LEU 60 7.518 14.860 -2.205 439 HB2 LEU 60 HB3 LEU 60 6.477 17.150 -2.408 440 HB3 LEU 60 HB2 LEU 60 5.067 16.560 -1.561 441 HG LEU 60 HG LEU 60 6.807 17.958 -0.228 442 HD11 LEU 60 HD11 LEU 60 4.990 16.754 0.897 443 HD12 LEU 60 HD12 LEU 60 6.465 16.763 1.859 444 HD13 LEU 60 HD13 LEU 60 5.991 15.303 0.984 445 HD21 LEU 60 HD21 LEU 60 8.822 16.805 -1.055 446 HD22 LEU 60 HD22 LEU 60 8.327 15.328 -0.222 447 HD23 LEU 60 HD23 LEU 60 8.728 16.776 0.706 448 H LEU 61 H LEU 61 4.039 14.186 -2.187 449 HA LEU 61 HA LEU 61 3.828 12.729 0.217 450 HB2 LEU 61 HB3 LEU 61 2.050 13.656 -1.612 451 HB3 LEU 61 HB2 LEU 61 2.106 11.992 -2.154 452 HG LEU 61 HG LEU 61 1.313 12.910 0.642 453 HD11 LEU 61 HD11 LEU 61 -0.330 13.594 -1.011 454 HD12 LEU 61 HD12 LEU 61 -0.974 12.297 -0.009 455 HD13 LEU 61 HD13 LEU 61 -0.420 11.950 -1.651 456 HD21 LEU 61 HD21 LEU 61 0.553 10.611 1.021 457 HD22 LEU 61 HD22 LEU 61 2.284 10.656 0.687 458 HD23 LEU 61 HD23 LEU 61 1.160 10.131 -0.569 459 H ALA 62 H ALA 62 4.753 11.823 -3.060 460 HA ALA 62 HA ALA 62 4.873 8.995 -2.704 461 HB1 ALA 62 HB1 ALA 62 6.034 9.017 -4.890 462 HB2 ALA 62 HB2 ALA 62 6.150 10.777 -4.804 463 HB3 ALA 62 HB3 ALA 62 4.570 9.999 -4.910 464 H THR 63 H THR 63 7.181 11.645 -2.307 465 HA THR 63 HA THR 63 9.546 10.115 -1.981 466 HB THR 63 HB THR 63 8.926 12.842 -0.747 467 HG1 THR 63 HG1 THR 63 8.863 12.261 -3.266 468 HG21 THR 63 HG21 THR 63 11.364 13.211 -0.881 469 HG22 THR 63 HG22 THR 63 11.591 11.596 -1.552 470 HG23 THR 63 HG23 THR 63 11.021 11.787 0.107 471 H ARG 64 H ARG 64 6.980 11.129 0.254 472 HA ARG 64 HA ARG 64 8.093 10.200 2.698 473 HB2 ARG 64 HB3 ARG 64 5.143 10.418 1.931 474 HB3 ARG 64 HB2 ARG 64 5.773 10.260 3.568 475 HG2 ARG 64 HG3 ARG 64 6.845 12.458 3.398 476 HG3 ARG 64 HG2 ARG 64 6.271 12.623 1.734 477 HD2 ARG 64 HD3 ARG 64 3.927 12.511 2.542 478 HD3 ARG 64 HD2 ARG 64 4.515 12.374 4.204 479 HE ARG 64 HE ARG 64 5.651 14.676 3.228 480 HH11 ARG 64 HH11 ARG 64 2.330 13.539 3.675 481 HH12 ARG 64 HH12 ARG 64 1.702 15.142 3.907 482 HH21 ARG 64 HH21 ARG 64 4.784 16.765 3.541 483 HH22 ARG 64 HH22 ARG 64 3.083 16.950 3.831 484 H LEU 65 H LEU 65 5.983 8.719 0.287 485 HA LEU 65 HA LEU 65 5.168 6.380 1.532 486 HB2 LEU 65 HB3 LEU 65 4.385 7.479 -0.671 487 HB3 LEU 65 HB2 LEU 65 5.736 6.687 -1.448 488 HG LEU 65 HG LEU 65 3.537 5.538 -1.804 489 HD11 LEU 65 HD11 LEU 65 4.236 3.240 -1.449 490 HD12 LEU 65 HD12 LEU 65 5.493 3.758 -0.323 491 HD13 LEU 65 HD13 LEU 65 5.594 4.210 -2.025 492 HD21 LEU 65 HD21 LEU 65 2.512 6.036 0.358 493 HD22 LEU 65 HD22 LEU 65 3.631 4.933 1.163 494 HD23 LEU 65 HD23 LEU 65 2.454 4.310 0.006 495 H THR 66 H THR 66 8.003 6.983 -0.479 496 HA THR 66 HA THR 66 8.927 4.340 -0.756 497 HB THR 66 HB THR 66 11.040 5.434 -1.546 498 HG1 THR 66 HG1 THR 66 9.860 7.966 -1.226 499 HG21 THR 66 HG21 THR 66 10.042 6.628 -3.472 500 HG22 THR 66 HG22 THR 66 8.491 6.690 -2.633 501 HG23 THR 66 HG23 THR 66 9.170 5.135 -3.124 502 H GLY 67 H GLY 67 9.450 6.730 1.727 503 HA2 GLY 67 HA3 GLY 67 11.735 5.749 3.025 504 HA3 GLY 67 HA2 GLY 67 10.476 6.712 3.778 505 H GLN 68 H GLN 68 8.313 4.888 3.484 506 HA GLN 68 HA GLN 68 8.611 3.217 5.758 507 HB2 GLN 68 HB3 GLN 68 6.510 3.188 3.562 508 HB3 GLN 68 HB2 GLN 68 6.444 2.126 4.962 509 HG2 GLN 68 HG3 GLN 68 4.975 3.928 5.411 510 HG3 GLN 68 HG2 GLN 68 6.397 4.183 6.416 511 HE21 GLN 68 HE21 GLN 68 4.642 5.302 3.621 512 HE22 GLN 68 HE22 GLN 68 5.404 6.848 3.514 513 H LEU 69 H LEU 69 8.857 2.610 2.300 514 HA LEU 69 HA LEU 69 9.136 -0.214 2.398 515 HB2 LEU 69 HB3 LEU 69 9.908 1.836 0.297 516 HB3 LEU 69 HB2 LEU 69 10.111 0.106 0.047 517 HG LEU 69 HG LEU 69 7.430 1.376 0.698 518 HD11 LEU 69 HD11 LEU 69 6.879 1.175 -1.666 519 HD12 LEU 69 HD12 LEU 69 8.530 0.655 -2.019 520 HD13 LEU 69 HD13 LEU 69 8.226 2.281 -1.404 521 HD21 LEU 69 HD21 LEU 69 6.503 -0.751 -0.131 522 HD22 LEU 69 HD22 LEU 69 7.555 -1.001 1.259 523 HD23 LEU 69 HD23 LEU 69 8.134 -1.383 -0.365 524 H HIS 70 H HIS 70 11.481 2.461 2.448 525 HA HIS 70 HA HIS 70 13.901 1.070 2.343 526 HB2 HIS 70 HB3 HIS 70 13.203 3.602 3.895 527 HB3 HIS 70 HB2 HIS 70 14.842 2.985 3.772 528 HD1 HIS 70 HD1 HIS 70 13.552 5.727 2.649 529 HD2 HIS 70 HD2 HIS 70 14.801 2.405 0.491 530 HE1 HIS 70 HE1 HIS 70 14.115 6.588 0.365 531 HE2 HIS 70 HE2 HIS 70 15.118 4.615 -0.819 532 H GLN 71 H GLN 71 11.747 1.663 5.069 533 HA GLN 71 HA GLN 71 13.409 0.450 7.080 534 HB2 GLN 71 HB3 GLN 71 10.432 1.092 7.206 535 HB3 GLN 71 HB2 GLN 71 11.498 0.779 8.576 536 HG2 GLN 71 HG3 GLN 71 12.817 2.815 7.952 537 HG3 GLN 71 HG2 GLN 71 11.634 3.146 6.688 538 HE21 GLN 71 HE21 GLN 71 12.198 3.076 10.141 539 HE22 GLN 71 HE22 GLN 71 10.784 3.969 10.581 540 H ALA 72 H ALA 72 10.971 -0.693 4.855 541 HA ALA 72 HA ALA 72 10.695 -3.328 6.084 542 HB1 ALA 72 HB1 ALA 72 9.225 -3.821 4.156 543 HB2 ALA 72 HB2 ALA 72 9.659 -2.274 3.420 544 HB3 ALA 72 HB3 ALA 72 8.766 -2.308 4.941 545 H GLY 73 H GLY 73 13.127 -1.891 4.361 546 HA2 GLY 73 HA3 GLY 73 15.135 -2.841 3.687 547 HA3 GLY 73 HA2 GLY 73 14.411 -4.438 3.776 548 H TYR 74 H TYR 74 12.983 -1.813 1.950 549 HA TYR 74 HA TYR 74 13.861 -2.984 -0.627 550 HB2 TYR 74 HB3 TYR 74 11.179 -1.595 -0.133 551 HB3 TYR 74 HB2 TYR 74 11.693 -2.408 -1.611 552 HD1 TYR 74 HD1 TYR 74 12.562 -4.995 -1.026 553 HD2 TYR 74 HD2 TYR 74 9.553 -2.783 1.064 554 HE1 TYR 74 HE1 TYR 74 11.571 -7.094 -0.216 555 HE2 TYR 74 HE2 TYR 74 8.569 -4.886 1.873 556 HH TYR 74 HH TYR 74 8.519 -7.299 1.156 557 H GLU 75 H GLU 75 14.983 -1.555 -1.864 558 HA GLU 75 HA GLU 75 15.202 1.222 -1.118 559 HB2 GLU 75 HB3 GLU 75 16.688 1.404 -3.138 560 HB3 GLU 75 HB2 GLU 75 17.213 0.209 -1.959 561 HG2 GLU 75 HG3 GLU 75 16.336 -1.600 -3.362 562 HG3 GLU 75 HG2 GLU 75 15.740 -0.418 -4.531 563 H ALA 76 H ALA 76 14.041 2.836 -1.888 564 HA ALA 76 HA ALA 76 12.534 2.783 -4.376 565 HB1 ALA 76 HB1 ALA 76 10.999 1.687 -2.773 566 HB2 ALA 76 HB2 ALA 76 10.383 3.270 -3.251 567 HB3 ALA 76 HB3 ALA 76 11.157 3.062 -1.677 568 H GLN 77 H GLN 77 12.735 4.765 -5.227 569 HA GLN 77 HA GLN 77 13.083 7.136 -3.484 570 HB2 GLN 77 HB3 GLN 77 14.442 6.626 -6.182 571 HB3 GLN 77 HB2 GLN 77 14.580 8.105 -5.235 572 HG2 GLN 77 HG3 GLN 77 15.607 5.362 -4.470 573 HG3 GLN 77 HG2 GLN 77 16.577 6.740 -4.984 574 HE21 GLN 77 HE21 GLN 77 15.188 8.712 -3.382 575 HE22 GLN 77 HE22 GLN 77 15.613 8.404 -1.740 576 H LEU 78 H LEU 78 12.414 9.121 -4.554 577 HA LEU 78 HA LEU 78 9.828 9.096 -5.516 578 HB2 LEU 78 HB3 LEU 78 10.938 11.055 -4.461 579 HB3 LEU 78 HB2 LEU 78 11.934 11.279 -5.880 580 HG LEU 78 HG LEU 78 9.834 12.838 -5.490 581 HD11 LEU 78 HD11 LEU 78 10.273 11.646 -8.241 582 HD12 LEU 78 HD12 LEU 78 11.199 12.961 -7.519 583 HD13 LEU 78 HD13 LEU 78 9.490 13.191 -7.882 584 HD21 LEU 78 HD21 LEU 78 8.202 11.029 -5.117 585 HD22 LEU 78 HD22 LEU 78 8.422 10.479 -6.781 586 HD23 LEU 78 HD23 LEU 78 7.735 12.071 -6.460 587 H SER 79 H SER 79 12.877 9.034 -7.336 588 HA SER 79 HA SER 79 11.868 9.396 -9.941 589 HB2 SER 79 HB3 SER 79 14.012 8.124 -10.612 590 HB3 SER 79 HB2 SER 79 14.231 9.570 -9.625 591 HG SER 79 HG SER 79 14.581 6.886 -8.957 592 H ASP 80 H ASP 80 12.081 6.489 -7.905 593 HA ASP 80 HA ASP 80 11.305 4.568 -9.845 594 HB2 ASP 80 HB3 ASP 80 10.947 4.556 -6.811 595 HB3 ASP 80 HB2 ASP 80 10.600 3.168 -7.842 596 H LEU 81 H LEU 81 9.355 6.218 -7.305 597 HA LEU 81 HA LEU 81 6.869 5.138 -8.106 598 HB2 LEU 81 HB3 LEU 81 7.774 7.065 -6.078 599 HB3 LEU 81 HB2 LEU 81 6.227 7.555 -6.747 600 HG LEU 81 HG LEU 81 6.793 4.836 -5.509 601 HD11 LEU 81 HD11 LEU 81 6.839 6.654 -3.860 602 HD12 LEU 81 HD12 LEU 81 5.484 5.556 -3.617 603 HD13 LEU 81 HD13 LEU 81 5.215 7.136 -4.360 604 HD21 LEU 81 HD21 LEU 81 4.357 4.487 -5.620 605 HD22 LEU 81 HD22 LEU 81 5.050 4.695 -7.227 606 HD23 LEU 81 HD23 LEU 81 4.168 6.024 -6.469 607 H PHE 82 H PHE 82 8.546 8.020 -9.151 608 HA PHE 82 HA PHE 82 6.249 9.158 -10.528 609 HB2 PHE 82 HB3 PHE 82 8.129 10.492 -9.365 610 HB3 PHE 82 HB2 PHE 82 9.139 10.104 -10.753 611 HD1 PHE 82 HD1 PHE 82 5.711 11.495 -10.018 612 HD2 PHE 82 HD2 PHE 82 9.210 11.722 -12.473 613 HE1 PHE 82 HE1 PHE 82 4.777 13.461 -11.173 614 HE2 PHE 82 HE2 PHE 82 8.270 13.687 -13.619 615 HZ PHE 82 HZ PHE 82 6.059 14.558 -12.969 616 H ASN 83 H ASN 83 8.666 6.852 -11.243 617 HA ASN 83 HA ASN 83 8.171 6.953 -14.162 618 HB2 ASN 83 HB3 ASN 83 10.529 6.690 -13.381 619 HB3 ASN 83 HB2 ASN 83 10.086 5.208 -12.541 620 HD21 ASN 83 HD21 ASN 83 11.522 3.938 -13.717 621 HD22 ASN 83 HD22 ASN 83 11.295 3.567 -15.393 622 H HIS 84 H HIS 84 7.166 5.354 -11.296 623 HA HIS 84 HA HIS 84 5.727 3.242 -12.788 624 HB2 HIS 84 HB3 HIS 84 7.195 2.842 -10.136 625 HB3 HIS 84 HB2 HIS 84 6.230 1.628 -10.967 626 HD1 HIS 84 HD1 HIS 84 7.251 0.622 -13.173 627 HD2 HIS 84 HD2 HIS 84 9.817 3.097 -11.050 628 HE1 HIS 84 HE1 HIS 84 9.536 0.197 -14.103 629 HE2 HIS 84 HE2 HIS 84 11.077 1.542 -12.662 630 HA PRO 85 HA PRO 85 2.916 5.695 -10.023 631 HB2 PRO 85 HB3 PRO 85 0.887 6.141 -11.772 632 HB3 PRO 85 HB2 PRO 85 2.388 7.093 -11.819 633 HG2 PRO 85 HG3 PRO 85 1.573 4.786 -13.550 634 HG3 PRO 85 HG2 PRO 85 2.368 6.305 -14.011 635 HD2 PRO 85 HD3 PRO 85 3.721 3.926 -13.647 636 HD3 PRO 85 HD2 PRO 85 4.471 5.527 -13.449 637 H ARG 86 H ARG 86 2.375 2.785 -11.896 638 HA ARG 86 HA ARG 86 -0.027 1.958 -10.520 639 HB2 ARG 86 HB3 ARG 86 1.749 0.763 -12.634 640 HB3 ARG 86 HB2 ARG 86 0.786 -0.348 -11.666 641 HG2 ARG 86 HG3 ARG 86 -0.465 0.122 -13.617 642 HG3 ARG 86 HG2 ARG 86 -1.252 0.962 -12.282 643 HD2 ARG 86 HD3 ARG 86 -1.260 2.422 -14.173 644 HD3 ARG 86 HD2 ARG 86 -0.067 3.064 -13.036 645 HE ARG 86 HE ARG 86 1.295 1.375 -14.767 646 HH11 ARG 86 HH11 ARG 86 -0.533 4.366 -15.052 647 HH12 ARG 86 HH12 ARG 86 0.358 4.907 -16.438 648 HH21 ARG 86 HH21 ARG 86 2.444 2.096 -16.581 649 HH22 ARG 86 HH22 ARG 86 2.043 3.621 -17.299 650 H LEU 87 H LEU 87 -0.222 0.299 -9.048 651 HA LEU 87 HA LEU 87 1.572 0.422 -6.906 652 HB2 LEU 87 HB3 LEU 87 -0.924 -0.016 -6.876 653 HB3 LEU 87 HB2 LEU 87 -0.586 -1.665 -7.342 654 HG LEU 87 HG LEU 87 0.336 -0.403 -4.715 655 HD11 LEU 87 HD11 LEU 87 -2.027 -2.235 -5.234 656 HD12 LEU 87 HD12 LEU 87 -2.104 -0.518 -4.838 657 HD13 LEU 87 HD13 LEU 87 -1.478 -1.659 -3.657 658 HD21 LEU 87 HD21 LEU 87 0.726 -2.725 -3.951 659 HD22 LEU 87 HD22 LEU 87 1.753 -2.308 -5.318 660 HD23 LEU 87 HD23 LEU 87 0.333 -3.322 -5.569 661 H ALA 88 H ALA 88 0.710 -2.472 -8.877 662 HA ALA 88 HA ALA 88 2.746 -4.058 -7.568 663 HB1 ALA 88 HB1 ALA 88 1.950 -5.900 -8.966 664 HB2 ALA 88 HB2 ALA 88 0.990 -4.780 -9.932 665 HB3 ALA 88 HB3 ALA 88 0.593 -5.044 -8.234 666 H ASP 89 H ASP 89 2.581 -2.112 -10.378 667 HA ASP 89 HA ASP 89 4.825 -3.102 -11.829 668 HB2 ASP 89 HB3 ASP 89 3.121 -1.769 -12.921 669 HB3 ASP 89 HB2 ASP 89 3.369 -0.429 -11.810 670 H PHE 90 H PHE 90 4.335 -0.604 -9.398 671 HA PHE 90 HA PHE 90 7.069 0.224 -9.179 672 HB2 PHE 90 HB3 PHE 90 5.335 1.794 -8.547 673 HB3 PHE 90 HB2 PHE 90 4.624 0.651 -7.414 674 HD1 PHE 90 HD1 PHE 90 8.007 2.230 -8.008 675 HD2 PHE 90 HD2 PHE 90 4.985 1.155 -5.173 676 HE1 PHE 90 HE1 PHE 90 9.349 3.200 -6.184 677 HE2 PHE 90 HE2 PHE 90 6.332 2.129 -3.374 678 HZ PHE 90 HZ PHE 90 8.519 3.148 -3.871 679 H ALA 91 H ALA 91 5.019 -2.178 -7.568 680 HA ALA 91 HA ALA 91 6.786 -2.803 -5.417 681 HB1 ALA 91 HB1 ALA 91 4.573 -4.481 -6.655 682 HB2 ALA 91 HB2 ALA 91 4.389 -3.332 -5.330 683 HB3 ALA 91 HB3 ALA 91 5.355 -4.790 -5.100 684 H ALA 92 H ALA 92 6.437 -3.923 -8.726 685 HA ALA 92 HA ALA 92 8.142 -6.222 -8.521 686 HB1 ALA 92 HB1 ALA 92 6.343 -6.101 -10.172 687 HB2 ALA 92 HB2 ALA 92 7.900 -6.354 -10.961 688 HB3 ALA 92 HB3 ALA 92 7.146 -4.757 -10.984 689 H THR 93 H THR 93 8.812 -2.833 -8.922 690 HA THR 93 HA THR 93 11.490 -3.359 -10.051 691 HB THR 93 HB THR 93 10.110 -1.492 -11.042 692 HG1 THR 93 HG1 THR 93 12.546 -0.615 -9.822 693 HG21 THR 93 HG21 THR 93 10.008 0.677 -9.845 694 HG22 THR 93 HG22 THR 93 10.623 -0.104 -8.387 695 HG23 THR 93 HG23 THR 93 9.053 -0.569 -9.042 696 H LEU 94 H LEU 94 10.101 -3.252 -7.019 697 HA LEU 94 HA LEU 94 12.133 -1.821 -5.563 698 HB2 LEU 94 HB3 LEU 94 10.052 -3.811 -4.579 699 HB3 LEU 94 HB2 LEU 94 11.094 -2.860 -3.530 700 HG LEU 94 HG LEU 94 8.928 -1.791 -5.370 701 HD11 LEU 94 HD11 LEU 94 7.824 -1.084 -3.300 702 HD12 LEU 94 HD12 LEU 94 9.086 -1.868 -2.347 703 HD13 LEU 94 HD13 LEU 94 8.023 -2.833 -3.376 704 HD21 LEU 94 HD21 LEU 94 10.823 -0.231 -3.587 705 HD22 LEU 94 HD22 LEU 94 9.422 0.432 -4.434 706 HD23 LEU 94 HD23 LEU 94 10.778 -0.212 -5.352 707 H ARG 95 H ARG 95 14.136 -2.531 -5.230 708 HA ARG 95 HA ARG 95 14.752 -5.428 -5.168 709 HB2 ARG 95 HB3 ARG 95 16.012 -3.930 -6.764 710 HB3 ARG 95 HB2 ARG 95 16.644 -3.042 -5.387 711 HG2 ARG 95 HG3 ARG 95 17.843 -5.029 -4.615 712 HG3 ARG 95 HG2 ARG 95 17.165 -5.987 -5.936 713 HD2 ARG 95 HD3 ARG 95 19.443 -5.353 -6.489 714 HD3 ARG 95 HD2 ARG 95 18.338 -4.488 -7.563 715 HE ARG 95 HE ARG 95 19.042 -2.985 -5.217 716 HH11 ARG 95 HH11 ARG 95 20.139 -3.800 -8.475 717 HH12 ARG 95 HH12 ARG 95 21.125 -2.381 -8.616 718 HH21 ARG 95 HH21 ARG 95 20.350 -1.155 -5.422 719 HH22 ARG 95 HH22 ARG 95 21.246 -0.883 -6.887 720 H LYS 96 H LYS 96 16.221 -6.167 -3.418 721 HA LYS 96 HA LYS 96 15.345 -5.164 -0.858 722 HB2 LYS 96 HB3 LYS 96 17.216 -7.445 -1.607 723 HB3 LYS 96 HB2 LYS 96 16.688 -7.098 0.040 724 HG2 LYS 96 HG3 LYS 96 14.351 -7.537 -0.589 725 HG3 LYS 96 HG2 LYS 96 14.838 -7.823 -2.265 726 HD2 LYS 96 HD3 LYS 96 16.181 -9.777 -1.545 727 HD3 LYS 96 HD2 LYS 96 15.715 -9.488 0.134 728 HE2 LYS 96 HE3 LYS 96 13.374 -9.940 -0.415 729 HE3 LYS 96 HE2 LYS 96 13.788 -10.140 -2.119 730 HZ1 LYS 96 HZ1 LYS 96 13.547 -12.268 -0.978 731 HZ2 LYS 96 HZ2 LYS 96 14.783 -11.856 0.094 732 HZ3 LYS 96 HZ3 LYS 96 15.123 -12.061 -1.545 733 H THR 97 H THR 97 16.347 -3.760 0.351 734 HA THR 97 HA THR 97 19.001 -2.709 -0.221 735 HB THR 97 HB THR 97 16.995 -1.940 1.973 736 HG1 THR 97 HG1 THR 97 17.400 -1.069 -0.676 737 HG21 THR 97 HG21 THR 97 19.380 -0.388 0.881 738 HG22 THR 97 HG22 THR 97 19.298 -1.145 2.475 739 HG23 THR 97 HG23 THR 97 18.223 0.197 2.078 740 H ASP 98 H ASP 98 20.814 -3.075 1.068 741 HA ASP 98 HA ASP 98 20.808 -5.068 3.146 742 HB2 ASP 98 HB3 ASP 98 22.968 -3.059 2.366 743 HB3 ASP 98 HB2 ASP 98 23.188 -4.375 3.521 744 H VAL 99 H VAL 99 19.906 -4.690 5.055 745 HA VAL 99 HA VAL 99 19.240 -2.159 6.117 746 HB VAL 99 HB VAL 99 18.620 -3.403 8.208 747 HG11 VAL 99 HG11 VAL 99 16.849 -4.809 7.214 748 HG12 VAL 99 HG12 VAL 99 17.667 -4.756 5.652 749 HG13 VAL 99 HG13 VAL 99 17.004 -3.277 6.351 750 HG21 VAL 99 HG21 VAL 99 20.430 -5.069 8.257 751 HG22 VAL 99 HG22 VAL 99 19.789 -5.842 6.807 752 HG23 VAL 99 HG23 VAL 99 18.858 -5.871 8.306 753 HA PRO 100 HA PRO 100 23.071 -0.643 7.807 754 HB2 PRO 100 HB3 PRO 100 21.419 0.345 10.137 755 HB3 PRO 100 HB2 PRO 100 22.538 1.239 9.080 756 HG2 PRO 100 HG3 PRO 100 19.935 1.529 8.750 757 HG3 PRO 100 HG2 PRO 100 20.995 1.383 7.328 758 HD2 PRO 100 HD3 PRO 100 19.209 -0.714 8.565 759 HD3 PRO 100 HD2 PRO 100 19.491 -0.339 6.849 760 H VAL 101 H VAL 101 20.956 -2.416 10.029 761 HA VAL 101 HA VAL 101 22.998 -3.047 11.944 762 HB VAL 101 HB VAL 101 20.645 -2.974 12.641 763 HG11 VAL 101 HG11 VAL 101 18.998 -4.677 11.952 764 HG12 VAL 101 HG12 VAL 101 20.167 -5.345 10.811 765 HG13 VAL 101 HG13 VAL 101 19.554 -3.706 10.586 766 HG21 VAL 101 HG21 VAL 101 20.540 -5.105 13.915 767 HG22 VAL 101 HG22 VAL 101 22.150 -4.384 13.947 768 HG23 VAL 101 HG23 VAL 101 21.825 -5.762 12.896 769 H GLU 102 H GLU 102 24.379 -4.778 11.965 770 HA GLU 102 HA GLU 102 24.024 -7.157 10.348 771 HB2 GLU 102 HB3 GLU 102 26.140 -6.903 9.061 772 HB3 GLU 102 HB2 GLU 102 24.971 -5.662 8.624 773 HG2 GLU 102 HG3 GLU 102 26.169 -3.967 9.823 774 HG3 GLU 102 HG2 GLU 102 27.205 -5.151 10.615 775 H GLN 103 H GLN 103 25.757 -8.718 10.698 776 HA GLN 103 HA GLN 103 27.225 -8.453 13.217 777 HB2 GLN 103 HB3 GLN 103 27.879 -10.813 12.843 778 HB3 GLN 103 HB2 GLN 103 26.134 -10.620 12.737 779 HG2 GLN 103 HG3 GLN 103 26.281 -10.667 10.264 780 HG3 GLN 103 HG2 GLN 103 28.028 -10.897 10.378 781 HE21 GLN 103 HE21 GLN 103 24.902 -12.369 10.827 782 HE22 GLN 103 HE22 GLN 103 25.459 -14.001 10.992 783 HA PRO 104 HA PRO 104 31.048 -7.162 11.081 784 HB2 PRO 104 HB3 PRO 104 32.542 -8.812 13.104 785 HB3 PRO 104 HB2 PRO 104 32.687 -7.079 12.739 786 HG2 PRO 104 HG3 PRO 104 31.501 -7.883 14.994 787 HG3 PRO 104 HG2 PRO 104 30.850 -6.496 14.084 788 HD2 PRO 104 HD3 PRO 104 29.866 -9.351 14.136 789 HD3 PRO 104 HD2 PRO 104 28.933 -7.835 14.201 790 H PHE 105 H PHE 105 30.395 -8.524 9.261 791 HA PHE 105 HA PHE 105 31.964 -11.030 8.957 792 HB2 PHE 105 HB3 PHE 105 29.497 -11.378 8.914 793 HB3 PHE 105 HB2 PHE 105 29.343 -10.197 7.620 794 HD1 PHE 105 HD1 PHE 105 29.435 -10.928 5.356 795 HD2 PHE 105 HD2 PHE 105 30.957 -13.477 8.439 796 HE1 PHE 105 HE1 PHE 105 29.742 -12.737 3.713 797 HE2 PHE 105 HE2 PHE 105 31.260 -15.275 6.792 798 HZ PHE 105 HZ PHE 105 30.654 -14.911 4.432 799 H VAL 106 H VAL 106 32.912 -11.360 6.883 800 HA VAL 106 HA VAL 106 34.110 -9.013 5.778 801 HB VAL 106 HB VAL 106 35.469 -11.008 6.039 802 HG11 VAL 106 HG11 VAL 106 35.187 -13.063 4.721 803 HG12 VAL 106 HG12 VAL 106 33.702 -12.423 4.017 804 HG13 VAL 106 HG13 VAL 106 33.778 -12.766 5.745 805 HG21 VAL 106 HG21 VAL 106 36.097 -9.455 4.231 806 HG22 VAL 106 HG22 VAL 106 35.123 -10.377 3.085 807 HG23 VAL 106 HG23 VAL 106 36.548 -11.113 3.819 808 H HIS 107 H HIS 107 32.939 -7.743 4.515 809 HA HIS 107 HA HIS 107 31.645 -8.825 2.088 810 HB2 HIS 107 HB3 HIS 107 29.844 -7.131 2.282 811 HB3 HIS 107 HB2 HIS 107 29.847 -8.214 3.669 812 HD1 HIS 107 HD1 HIS 107 30.684 -7.167 5.959 813 HD2 HIS 107 HD2 HIS 107 30.148 -4.437 2.880 814 HE1 HIS 107 HE1 HIS 107 30.659 -4.912 7.049 815 HE2 HIS 107 HE2 HIS 107 30.223 -3.296 5.186 816 H SER 108 H SER 108 32.515 -7.958 0.304 817 HA SER 108 HA SER 108 34.539 -5.893 0.517 818 HB2 SER 108 HB3 SER 108 34.816 -6.373 -1.977 819 HB3 SER 108 HB2 SER 108 35.077 -7.749 -0.910 820 HG SER 108 HG SER 108 32.694 -7.187 -2.373 821 HA PRO 109 HA PRO 109 31.459 -2.757 -0.881 822 HB2 PRO 109 HB3 PRO 109 32.665 -0.573 0.152 823 HB3 PRO 109 HB2 PRO 109 31.883 -1.754 1.221 824 HG2 PRO 109 HG3 PRO 109 34.797 -1.407 0.621 825 HG3 PRO 109 HG2 PRO 109 34.000 -1.738 2.176 826 HD2 PRO 109 HD3 PRO 109 35.184 -3.685 0.562 827 HD3 PRO 109 HD2 PRO 109 33.960 -4.008 1.807 828 H GLU 110 H GLU 110 32.879 -3.874 -2.831 829 HA GLU 110 HA GLU 110 34.961 -2.156 -3.917 830 HB2 GLU 110 HB3 GLU 110 35.048 -4.727 -3.793 831 HB3 GLU 110 HB2 GLU 110 33.877 -4.745 -5.105 832 HG2 GLU 110 HG3 GLU 110 36.090 -5.096 -6.014 833 HG3 GLU 110 HG2 GLU 110 35.515 -3.515 -6.532 834 H ASP 111 H ASP 111 33.320 -0.421 -4.158 835 HA ASP 111 HA ASP 111 32.540 -0.101 -6.889 836 HB2 ASP 111 HB3 ASP 111 30.118 0.256 -6.563 837 HB3 ASP 111 HB2 ASP 111 30.555 -1.386 -6.104 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -10.931 2.878 -21.266 2 H2 GLY 1 H2 GLY 1 -11.336 1.890 -22.578 3 H3 GLY 1 H3 GLY 1 -11.965 1.560 -21.045 4 HA2 GLY 1 HA2 GLY 1 -12.552 3.975 -22.661 5 HA3 GLY 1 HA3 GLY 1 -13.620 2.594 -22.488 6 H THR 2 H THR 2 -13.792 5.551 -21.668 7 HA THR 2 HA THR 2 -13.992 5.332 -18.745 8 HB THR 2 HB THR 2 -14.308 7.847 -18.843 9 HG1 THR 2 HG1 THR 2 -14.550 8.779 -20.723 10 HG21 THR 2 HG21 THR 2 -11.767 6.803 -20.170 11 HG22 THR 2 HG22 THR 2 -12.058 6.888 -18.430 12 HG23 THR 2 HG23 THR 2 -11.950 8.369 -19.378 13 H ILE 3 H ILE 3 -15.845 3.772 -19.451 14 HA ILE 3 HA ILE 3 -18.426 5.137 -19.751 15 HB ILE 3 HB ILE 3 -17.718 2.163 -19.554 16 HG12 ILE 3 HG13 ILE 3 -18.809 2.141 -21.919 17 HG13 ILE 3 HG12 ILE 3 -18.698 3.893 -21.887 18 HG21 ILE 3 HG21 ILE 3 -19.850 2.507 -18.402 19 HG22 ILE 3 HG22 ILE 3 -20.129 1.676 -19.928 20 HG23 ILE 3 HG23 ILE 3 -20.494 3.396 -19.785 21 HD11 ILE 3 HD11 ILE 3 -16.882 2.923 -23.164 22 HD12 ILE 3 HD12 ILE 3 -16.381 1.956 -21.777 23 HD13 ILE 3 HD13 ILE 3 -16.246 3.715 -21.721 24 H ASP 4 H ASP 4 -19.786 5.541 -18.031 25 HA ASP 4 HA ASP 4 -18.951 5.026 -15.321 26 HB2 ASP 4 HB3 ASP 4 -21.461 6.290 -16.495 27 HB3 ASP 4 HB2 ASP 4 -21.271 6.026 -14.763 28 H TYR 5 H TYR 5 -18.756 2.779 -15.379 29 HA TYR 5 HA TYR 5 -20.842 0.949 -16.000 30 HB2 TYR 5 HB3 TYR 5 -18.327 0.466 -15.876 31 HB3 TYR 5 HB2 TYR 5 -18.484 0.438 -14.125 32 HD1 TYR 5 HD1 TYR 5 -18.992 -1.418 -17.221 33 HD2 TYR 5 HD2 TYR 5 -19.868 -1.394 -13.043 34 HE1 TYR 5 HE1 TYR 5 -19.597 -3.791 -17.329 35 HE2 TYR 5 HE2 TYR 5 -20.480 -3.769 -13.157 36 HH TYR 5 HH TYR 5 -19.683 -5.739 -15.731 37 H GLN 6 H GLN 6 -20.116 2.869 -13.229 38 HA GLN 6 HA GLN 6 -21.416 1.626 -11.116 39 HB2 GLN 6 HB3 GLN 6 -21.534 3.887 -10.112 40 HB3 GLN 6 HB2 GLN 6 -19.974 3.594 -10.874 41 HG2 GLN 6 HG3 GLN 6 -20.787 4.868 -12.883 42 HG3 GLN 6 HG2 GLN 6 -22.238 5.277 -11.970 43 HE21 GLN 6 HE21 GLN 6 -18.821 5.815 -12.301 44 HE22 GLN 6 HE22 GLN 6 -18.723 7.171 -11.240 45 H ALA 7 H ALA 7 -22.850 3.061 -13.935 46 HA ALA 7 HA ALA 7 -25.453 3.652 -13.005 47 HB1 ALA 7 HB1 ALA 7 -24.570 2.745 -15.763 48 HB2 ALA 7 HB2 ALA 7 -24.607 4.409 -15.184 49 HB3 ALA 7 HB3 ALA 7 -26.115 3.514 -15.379 50 H LEU 8 H LEU 8 -23.936 0.643 -14.014 51 HA LEU 8 HA LEU 8 -26.377 -0.904 -13.354 52 HB2 LEU 8 HB3 LEU 8 -24.004 -1.644 -15.128 53 HB3 LEU 8 HB2 LEU 8 -25.309 -2.742 -14.713 54 HG LEU 8 HG LEU 8 -25.635 -0.177 -16.316 55 HD11 LEU 8 HD11 LEU 8 -26.020 -1.631 -18.267 56 HD12 LEU 8 HD12 LEU 8 -25.639 -3.053 -17.290 57 HD13 LEU 8 HD13 LEU 8 -24.400 -1.837 -17.604 58 HD21 LEU 8 HD21 LEU 8 -27.939 -0.976 -16.765 59 HD22 LEU 8 HD22 LEU 8 -27.659 -0.675 -15.052 60 HD23 LEU 8 HD23 LEU 8 -27.675 -2.330 -15.661 61 H LYS 9 H LYS 9 -26.007 -0.913 -11.135 62 HA LYS 9 HA LYS 9 -23.486 -1.465 -9.893 63 HB2 LYS 9 HB3 LYS 9 -26.293 -1.439 -8.689 64 HB3 LYS 9 HB2 LYS 9 -24.787 -1.439 -7.775 65 HG2 LYS 9 HG3 LYS 9 -24.204 0.773 -8.698 66 HG3 LYS 9 HG2 LYS 9 -25.689 0.768 -9.651 67 HD2 LYS 9 HD3 LYS 9 -25.918 2.149 -7.611 68 HD3 LYS 9 HD2 LYS 9 -27.044 0.791 -7.616 69 HE2 LYS 9 HE3 LYS 9 -26.088 1.066 -5.386 70 HE3 LYS 9 HE2 LYS 9 -25.520 -0.448 -6.085 71 HZ1 LYS 9 HZ1 LYS 9 -23.435 0.709 -6.686 72 HZ2 LYS 9 HZ2 LYS 9 -23.706 0.684 -5.020 73 HZ3 LYS 9 HZ3 LYS 9 -23.996 2.094 -5.900 74 H ARG 10 H ARG 10 -26.464 -3.298 -10.416 75 HA ARG 10 HA ARG 10 -27.114 -5.423 -10.275 76 HB2 ARG 10 HB3 ARG 10 -24.134 -5.977 -10.281 77 HB3 ARG 10 HB2 ARG 10 -25.276 -7.287 -10.006 78 HG2 ARG 10 HG3 ARG 10 -24.585 -7.227 -12.346 79 HG3 ARG 10 HG2 ARG 10 -26.307 -6.868 -12.215 80 HD2 ARG 10 HD3 ARG 10 -25.794 -4.447 -12.448 81 HD3 ARG 10 HD2 ARG 10 -24.079 -4.836 -12.621 82 HE ARG 10 HE ARG 10 -26.201 -5.657 -14.517 83 HH11 ARG 10 HH11 ARG 10 -22.865 -4.746 -13.912 84 HH12 ARG 10 HH12 ARG 10 -22.420 -4.796 -15.586 85 HH21 ARG 10 HH21 ARG 10 -25.614 -5.698 -16.712 86 HH22 ARG 10 HH22 ARG 10 -23.986 -5.333 -17.173 87 H ARG 11 H ARG 11 -27.836 -6.874 -8.722 88 HA ARG 11 HA ARG 11 -27.337 -6.234 -5.919 89 HB2 ARG 11 HB3 ARG 11 -29.153 -7.855 -5.447 90 HB3 ARG 11 HB2 ARG 11 -29.637 -6.647 -6.630 91 HG2 ARG 11 HG3 ARG 11 -29.304 -8.271 -8.452 92 HG3 ARG 11 HG2 ARG 11 -28.798 -9.487 -7.279 93 HD2 ARG 11 HD3 ARG 11 -31.532 -8.171 -7.373 94 HD3 ARG 11 HD2 ARG 11 -31.154 -9.783 -7.990 95 HE ARG 11 HE ARG 11 -30.414 -10.163 -5.524 96 HH11 ARG 11 HH11 ARG 11 -33.260 -8.318 -6.525 97 HH12 ARG 11 HH12 ARG 11 -34.133 -8.668 -5.070 98 HH21 ARG 11 HH21 ARG 11 -31.565 -10.597 -3.633 99 HH22 ARG 11 HH22 ARG 11 -33.166 -9.960 -3.424 100 H HIS 12 H HIS 12 -26.338 -8.614 -8.236 101 HA HIS 12 HA HIS 12 -24.471 -9.753 -6.232 102 HB2 HIS 12 HB3 HIS 12 -25.942 -11.259 -8.440 103 HB3 HIS 12 HB2 HIS 12 -24.510 -11.905 -7.645 104 HD1 HIS 12 HD1 HIS 12 -27.793 -12.708 -7.556 105 HD2 HIS 12 HD2 HIS 12 -25.255 -11.399 -4.540 106 HE1 HIS 12 HE1 HIS 12 -28.771 -13.586 -5.416 107 HE2 HIS 12 HE2 HIS 12 -27.247 -12.736 -3.612 108 H THR 13 H THR 13 -22.412 -9.424 -6.785 109 HA THR 13 HA THR 13 -21.737 -7.831 -9.028 110 HB THR 13 HB THR 13 -20.622 -7.501 -6.914 111 HG1 THR 13 HG1 THR 13 -19.404 -6.969 -8.733 112 HG21 THR 13 HG21 THR 13 -20.591 -9.794 -6.022 113 HG22 THR 13 HG22 THR 13 -18.981 -9.074 -5.971 114 HG23 THR 13 HG23 THR 13 -19.378 -10.256 -7.219 115 HA PRO 14 HA PRO 14 -20.842 -11.262 -11.854 116 HB2 PRO 14 HB3 PRO 14 -20.199 -9.214 -13.892 117 HB3 PRO 14 HB2 PRO 14 -21.568 -10.341 -13.836 118 HG2 PRO 14 HG3 PRO 14 -21.878 -7.667 -13.499 119 HG3 PRO 14 HG2 PRO 14 -22.936 -8.859 -12.707 120 HD2 PRO 14 HD3 PRO 14 -20.572 -7.373 -11.547 121 HD3 PRO 14 HD2 PRO 14 -22.182 -7.665 -10.839 122 H GLU 15 H GLU 15 -18.929 -11.461 -10.300 123 HA GLU 15 HA GLU 15 -16.782 -12.019 -9.947 124 HB2 GLU 15 HB3 GLU 15 -16.694 -12.044 -12.987 125 HB3 GLU 15 HB2 GLU 15 -15.446 -12.733 -11.959 126 HG2 GLU 15 HG3 GLU 15 -16.948 -14.439 -11.142 127 HG3 GLU 15 HG2 GLU 15 -18.331 -13.661 -11.907 128 H ALA 16 H ALA 16 -16.113 -10.081 -12.876 129 HA ALA 16 HA ALA 16 -13.985 -8.612 -11.543 130 HB1 ALA 16 HB1 ALA 16 -13.593 -7.642 -13.762 131 HB2 ALA 16 HB2 ALA 16 -15.069 -8.399 -14.375 132 HB3 ALA 16 HB3 ALA 16 -13.712 -9.399 -13.848 133 H GLU 17 H GLU 17 -17.064 -7.894 -13.127 134 HA GLU 17 HA GLU 17 -18.527 -6.209 -13.144 135 HB2 GLU 17 HB3 GLU 17 -18.637 -6.783 -10.699 136 HB3 GLU 17 HB2 GLU 17 -17.461 -5.510 -10.379 137 HG2 GLU 17 HG3 GLU 17 -19.081 -3.846 -11.322 138 HG3 GLU 17 HG2 GLU 17 -20.258 -5.144 -11.502 139 H ASN 18 H ASN 18 -16.271 -4.268 -11.168 140 HA ASN 18 HA ASN 18 -16.155 -2.251 -13.355 141 HB2 ASN 18 HB3 ASN 18 -15.912 -1.956 -10.323 142 HB3 ASN 18 HB2 ASN 18 -15.441 -0.671 -11.426 143 HD21 ASN 18 HD21 ASN 18 -18.115 -2.500 -10.169 144 HD22 ASN 18 HD22 ASN 18 -19.350 -1.444 -10.729 145 HA PRO 19 HA PRO 19 -11.582 -2.607 -13.493 146 HB2 PRO 19 HB3 PRO 19 -11.698 0.390 -13.890 147 HB3 PRO 19 HB2 PRO 19 -10.906 -0.846 -14.891 148 HG2 PRO 19 HG3 PRO 19 -13.132 0.303 -15.754 149 HG3 PRO 19 HG2 PRO 19 -12.898 -1.451 -15.978 150 HD2 PRO 19 HD3 PRO 19 -14.529 -0.019 -13.869 151 HD3 PRO 19 HD2 PRO 19 -14.966 -1.431 -14.864 152 H ALA 20 H ALA 20 -10.127 -2.461 -11.843 153 HA ALA 20 HA ALA 20 -9.134 -2.071 -9.855 154 HB1 ALA 20 HB1 ALA 20 -9.035 0.317 -10.502 155 HB2 ALA 20 HB2 ALA 20 -9.248 0.121 -8.761 156 HB3 ALA 20 HB3 ALA 20 -10.619 0.581 -9.770 157 H GLU 21 H GLU 21 -11.865 -3.355 -10.134 158 HA GLU 21 HA GLU 21 -12.850 -3.053 -7.351 159 HB2 GLU 21 HB3 GLU 21 -14.373 -2.980 -9.563 160 HB3 GLU 21 HB2 GLU 21 -14.322 -4.724 -9.410 161 HG2 GLU 21 HG3 GLU 21 -15.402 -2.754 -7.370 162 HG3 GLU 21 HG2 GLU 21 -16.353 -3.822 -8.390 163 H ALA 22 H ALA 22 -12.186 -5.612 -9.781 164 HA ALA 22 HA ALA 22 -11.608 -7.572 -7.624 165 HB1 ALA 22 HB1 ALA 22 -12.312 -8.040 -10.555 166 HB2 ALA 22 HB2 ALA 22 -13.415 -8.220 -9.188 167 HB3 ALA 22 HB3 ALA 22 -12.027 -9.296 -9.352 168 H ASP 23 H ASP 23 -9.753 -5.486 -8.573 169 HA ASP 23 HA ASP 23 -7.667 -7.006 -10.032 170 HB2 ASP 23 HB3 ASP 23 -8.082 -3.974 -9.836 171 HB3 ASP 23 HB2 ASP 23 -6.803 -4.769 -10.745 172 H LEU 24 H LEU 24 -8.231 -6.982 -7.082 173 HA LEU 24 HA LEU 24 -6.492 -5.313 -5.660 174 HB2 LEU 24 HB3 LEU 24 -7.780 -7.965 -4.992 175 HB3 LEU 24 HB2 LEU 24 -6.573 -7.297 -3.904 176 HG LEU 24 HG LEU 24 -7.994 -5.188 -3.768 177 HD11 LEU 24 HD11 LEU 24 -9.319 -5.469 -5.783 178 HD12 LEU 24 HD12 LEU 24 -10.349 -5.297 -4.364 179 HD13 LEU 24 HD13 LEU 24 -10.110 -6.888 -5.093 180 HD21 LEU 24 HD21 LEU 24 -9.540 -6.116 -2.103 181 HD22 LEU 24 HD22 LEU 24 -7.929 -6.810 -1.949 182 HD23 LEU 24 HD23 LEU 24 -9.221 -7.750 -2.699 183 HA PRO 25 HA PRO 25 -2.377 -6.811 -6.535 184 HB2 PRO 25 HB3 PRO 25 -1.713 -6.029 -3.706 185 HB3 PRO 25 HB2 PRO 25 -1.001 -5.459 -5.231 186 HG2 PRO 25 HG3 PRO 25 -2.611 -3.865 -3.855 187 HG3 PRO 25 HG2 PRO 25 -2.719 -3.924 -5.629 188 HD2 PRO 25 HD3 PRO 25 -4.493 -5.274 -3.593 189 HD3 PRO 25 HD2 PRO 25 -4.941 -4.370 -5.062 190 H GLN 26 H GLN 26 -1.666 -8.887 -6.496 191 HA GLN 26 HA GLN 26 -2.564 -10.680 -4.304 192 HB2 GLN 26 HB3 GLN 26 -2.982 -12.390 -6.140 193 HB3 GLN 26 HB2 GLN 26 -4.095 -11.030 -6.112 194 HG2 GLN 26 HG3 GLN 26 -2.869 -9.972 -7.980 195 HG3 GLN 26 HG2 GLN 26 -1.749 -11.332 -8.019 196 HE21 GLN 26 HE21 GLN 26 -3.493 -10.371 -10.149 197 HE22 GLN 26 HE22 GLN 26 -4.536 -11.685 -10.561 198 H GLY 27 H GLY 27 -0.257 -9.722 -3.962 199 HA2 GLY 27 HA3 GLY 27 1.629 -11.900 -4.305 200 HA3 GLY 27 HA2 GLY 27 2.071 -10.406 -5.139 201 H ASP 28 H ASP 28 3.595 -11.512 -3.091 202 HA ASP 28 HA ASP 28 3.072 -10.657 -0.489 203 HB2 ASP 28 HB3 ASP 28 4.733 -12.384 -1.066 204 HB3 ASP 28 HB2 ASP 28 5.732 -11.184 -1.880 205 H ILE 29 H ILE 29 5.137 -9.178 -2.972 206 HA ILE 29 HA ILE 29 5.836 -6.887 -1.424 207 HB ILE 29 HB ILE 29 6.115 -7.383 -4.427 208 HG12 ILE 29 HG13 ILE 29 7.331 -9.061 -3.114 209 HG13 ILE 29 HG12 ILE 29 8.472 -7.979 -3.898 210 HG21 ILE 29 HG21 ILE 29 7.832 -5.612 -4.419 211 HG22 ILE 29 HG22 ILE 29 7.483 -5.263 -2.725 212 HG23 ILE 29 HG23 ILE 29 6.252 -4.977 -3.956 213 HD11 ILE 29 HD11 ILE 29 8.800 -6.807 -1.735 214 HD12 ILE 29 HD12 ILE 29 9.211 -8.518 -1.667 215 HD13 ILE 29 HD13 ILE 29 7.694 -7.954 -0.971 216 H GLU 30 H GLU 30 3.401 -7.540 -3.957 217 HA GLU 30 HA GLU 30 2.730 -4.840 -4.495 218 HB2 GLU 30 HB3 GLU 30 1.230 -7.435 -5.018 219 HB3 GLU 30 HB2 GLU 30 0.641 -5.865 -5.557 220 HG2 GLU 30 HG3 GLU 30 1.700 -6.924 -7.425 221 HG3 GLU 30 HG2 GLU 30 2.746 -5.603 -6.911 222 H LYS 31 H LYS 31 1.412 -7.200 -2.163 223 HA LYS 31 HA LYS 31 -0.853 -5.606 -1.386 224 HB2 LYS 31 HB3 LYS 31 -1.182 -7.205 0.423 225 HB3 LYS 31 HB2 LYS 31 -0.754 -8.086 -1.040 226 HG2 LYS 31 HG3 LYS 31 1.554 -8.334 -0.247 227 HG3 LYS 31 HG2 LYS 31 1.167 -7.422 1.212 228 HD2 LYS 31 HD3 LYS 31 -0.385 -9.196 1.929 229 HD3 LYS 31 HD2 LYS 31 -0.065 -10.097 0.443 230 HE2 LYS 31 HE3 LYS 31 2.330 -10.293 1.108 231 HE3 LYS 31 HE2 LYS 31 1.961 -9.455 2.616 232 HZ1 LYS 31 HZ1 LYS 31 0.755 -12.024 1.755 233 HZ2 LYS 31 HZ2 LYS 31 0.479 -11.237 3.228 234 HZ3 LYS 31 HZ3 LYS 31 2.012 -11.863 2.874 235 H GLN 32 H GLN 32 2.507 -5.778 -0.377 236 HA GLN 32 HA GLN 32 2.316 -4.326 2.084 237 HB2 GLN 32 HB3 GLN 32 4.205 -5.818 1.616 238 HB3 GLN 32 HB2 GLN 32 4.661 -4.865 0.212 239 HG2 GLN 32 HG3 GLN 32 6.195 -4.395 2.024 240 HG3 GLN 32 HG2 GLN 32 5.226 -2.955 1.712 241 HE21 GLN 32 HE21 GLN 32 5.613 -2.121 3.782 242 HE22 GLN 32 HE22 GLN 32 4.903 -2.800 5.200 243 H VAL 33 H VAL 33 3.336 -3.472 -1.221 244 HA VAL 33 HA VAL 33 3.689 -0.709 -0.866 245 HB VAL 33 HB VAL 33 2.819 -2.192 -3.395 246 HG11 VAL 33 HG11 VAL 33 2.440 0.227 -3.645 247 HG12 VAL 33 HG12 VAL 33 3.757 -0.315 -4.683 248 HG13 VAL 33 HG13 VAL 33 4.116 0.556 -3.189 249 HG21 VAL 33 HG21 VAL 33 5.635 -1.491 -2.480 250 HG22 VAL 33 HG22 VAL 33 5.202 -2.271 -4.002 251 HG23 VAL 33 HG23 VAL 33 4.914 -3.103 -2.477 252 H ALA 34 H ALA 34 0.817 -2.644 -1.709 253 HA ALA 34 HA ALA 34 -1.057 -0.600 -2.122 254 HB1 ALA 34 HB1 ALA 34 -1.548 -3.367 -0.973 255 HB2 ALA 34 HB2 ALA 34 -1.456 -2.958 -2.686 256 HB3 ALA 34 HB3 ALA 34 -2.760 -2.301 -1.698 257 H ALA 35 H ALA 35 -0.139 -2.320 0.859 258 HA ALA 35 HA ALA 35 -2.052 -1.236 2.603 259 HB1 ALA 35 HB1 ALA 35 -0.738 -3.240 3.144 260 HB2 ALA 35 HB2 ALA 35 -0.584 -2.035 4.423 261 HB3 ALA 35 HB3 ALA 35 0.730 -2.269 3.267 262 H LEU 36 H LEU 36 1.204 -0.144 1.757 263 HA LEU 36 HA LEU 36 1.281 2.022 3.641 264 HB2 LEU 36 HB3 LEU 36 3.051 1.388 1.243 265 HB3 LEU 36 HB2 LEU 36 3.396 2.630 2.437 266 HG LEU 36 HG LEU 36 3.251 -0.363 3.003 267 HD11 LEU 36 HD11 LEU 36 5.693 1.439 2.918 268 HD12 LEU 36 HD12 LEU 36 5.248 0.229 1.716 269 HD13 LEU 36 HD13 LEU 36 5.671 -0.276 3.348 270 HD21 LEU 36 HD21 LEU 36 3.961 1.900 4.900 271 HD22 LEU 36 HD22 LEU 36 4.062 0.174 5.260 272 HD23 LEU 36 HD23 LEU 36 2.497 0.913 4.943 273 H TRP 37 H TRP 37 0.436 1.748 0.180 274 HA TRP 37 HA TRP 37 0.107 4.537 -0.321 275 HB2 TRP 37 HB3 TRP 37 -1.049 2.066 -1.666 276 HB3 TRP 37 HB2 TRP 37 -1.476 3.689 -2.198 277 HD1 TRP 37 HD1 TRP 37 2.172 3.039 -1.205 278 HE1 TRP 37 HE1 TRP 37 3.622 3.099 -3.322 279 HE3 TRP 37 HE3 TRP 37 -1.525 3.208 -4.744 280 HZ2 TRP 37 HZ2 TRP 37 3.279 3.194 -6.098 281 HZ3 TRP 37 HZ3 TRP 37 -0.868 3.280 -7.115 282 HH2 TRP 37 HH2 TRP 37 1.486 3.271 -7.778 283 H GLN 38 H GLN 38 -2.027 2.049 0.978 284 HA GLN 38 HA GLN 38 -4.427 3.627 1.074 285 HB2 GLN 38 HB3 GLN 38 -3.601 0.999 2.362 286 HB3 GLN 38 HB2 GLN 38 -5.203 1.693 2.593 287 HG2 GLN 38 HG3 GLN 38 -5.780 1.423 0.309 288 HG3 GLN 38 HG2 GLN 38 -4.110 1.144 -0.174 289 HE21 GLN 38 HE21 GLN 38 -6.448 -0.461 -0.691 290 HE22 GLN 38 HE22 GLN 38 -6.125 -2.030 -0.070 291 H GLN 39 H GLN 39 -1.659 3.321 3.140 292 HA GLN 39 HA GLN 39 -2.912 4.483 5.489 293 HB2 GLN 39 HB3 GLN 39 -1.055 2.871 5.740 294 HB3 GLN 39 HB2 GLN 39 0.016 3.920 4.815 295 HG2 GLN 39 HG3 GLN 39 0.543 4.099 7.178 296 HG3 GLN 39 HG2 GLN 39 -0.129 5.630 6.622 297 HE21 GLN 39 HE21 GLN 39 -2.189 6.260 7.393 298 HE22 GLN 39 HE22 GLN 39 -2.930 5.494 8.753 299 H LEU 40 H LEU 40 -0.348 5.537 3.195 300 HA LEU 40 HA LEU 40 -0.059 8.130 4.284 301 HB2 LEU 40 HB3 LEU 40 0.974 6.713 1.824 302 HB3 LEU 40 HB2 LEU 40 1.218 8.441 1.982 303 HG LEU 40 HG LEU 40 3.193 7.234 2.716 304 HD11 LEU 40 HD11 LEU 40 3.534 8.281 4.896 305 HD12 LEU 40 HD12 LEU 40 1.797 8.534 5.067 306 HD13 LEU 40 HD13 LEU 40 2.692 9.371 3.797 307 HD21 LEU 40 HD21 LEU 40 3.225 5.809 4.738 308 HD22 LEU 40 HD22 LEU 40 2.275 5.113 3.429 309 HD23 LEU 40 HD23 LEU 40 1.459 5.877 4.793 310 H LEU 41 H LEU 41 -1.721 6.983 1.310 311 HA LEU 41 HA LEU 41 -2.712 9.622 0.640 312 HB2 LEU 41 HB3 LEU 41 -3.621 6.926 -0.463 313 HB3 LEU 41 HB2 LEU 41 -3.980 8.498 -1.149 314 HG LEU 41 HG LEU 41 -1.250 7.202 -1.029 315 HD11 LEU 41 HD11 LEU 41 -1.429 6.998 -3.471 316 HD12 LEU 41 HD12 LEU 41 -3.058 7.678 -3.416 317 HD13 LEU 41 HD13 LEU 41 -2.723 6.124 -2.653 318 HD21 LEU 41 HD21 LEU 41 -1.021 9.610 -0.810 319 HD22 LEU 41 HD22 LEU 41 -2.062 9.872 -2.211 320 HD23 LEU 41 HD23 LEU 41 -0.486 9.107 -2.412 321 H SER 42 H SER 42 -3.699 7.002 2.636 322 HA SER 42 HA SER 42 -5.442 6.498 3.952 323 HB2 SER 42 HB3 SER 42 -6.192 9.452 3.666 324 HB3 SER 42 HB2 SER 42 -6.777 8.349 4.918 325 HG SER 42 HG SER 42 -4.016 8.572 4.597 326 H THR 43 H THR 43 -5.894 5.319 1.886 327 HA THR 43 HA THR 43 -8.392 6.164 0.527 328 HB THR 43 HB THR 43 -7.703 4.710 -1.357 329 HG1 THR 43 HG1 THR 43 -5.144 4.208 -0.731 330 HG21 THR 43 HG21 THR 43 -6.881 7.034 -1.433 331 HG22 THR 43 HG22 THR 43 -5.694 5.934 -2.137 332 HG23 THR 43 HG23 THR 43 -5.451 6.564 -0.509 333 H GLY 44 H GLY 44 -9.943 4.524 0.034 334 HA2 GLY 44 HA3 GLY 44 -10.448 2.589 2.076 335 HA3 GLY 44 HA2 GLY 44 -11.354 2.803 0.584 336 H ASN 45 H ASN 45 -9.363 2.411 -1.304 337 HA ASN 45 HA ASN 45 -7.956 -0.062 -0.911 338 HB2 ASN 45 HB3 ASN 45 -10.419 -0.783 -1.254 339 HB3 ASN 45 HB2 ASN 45 -10.270 -0.202 -2.904 340 HD21 ASN 45 HD21 ASN 45 -10.870 -2.870 -2.061 341 HD22 ASN 45 HD22 ASN 45 -9.638 -3.906 -2.675 342 H VAL 46 H VAL 46 -6.267 -0.108 -2.255 343 HA VAL 46 HA VAL 46 -6.388 1.227 -4.898 344 HB VAL 46 HB VAL 46 -3.924 1.609 -4.792 345 HG11 VAL 46 HG11 VAL 46 -3.934 3.559 -3.277 346 HG12 VAL 46 HG12 VAL 46 -5.410 2.967 -2.508 347 HG13 VAL 46 HG13 VAL 46 -5.431 3.455 -4.204 348 HG21 VAL 46 HG21 VAL 46 -2.689 1.445 -2.650 349 HG22 VAL 46 HG22 VAL 46 -3.287 -0.126 -3.181 350 HG23 VAL 46 HG23 VAL 46 -4.111 0.734 -1.884 351 H THR 47 H THR 47 -5.713 -0.042 -6.573 352 HA THR 47 HA THR 47 -5.320 -2.926 -5.995 353 HB THR 47 HB THR 47 -6.386 -3.300 -8.223 354 HG1 THR 47 HG1 THR 47 -7.191 -0.578 -8.207 355 HG21 THR 47 HG21 THR 47 -8.088 -1.711 -6.260 356 HG22 THR 47 HG22 THR 47 -7.743 -3.443 -6.174 357 HG23 THR 47 HG23 THR 47 -8.695 -2.797 -7.511 358 H ARG 48 H ARG 48 -4.472 -4.019 -8.195 359 HA ARG 48 HA ARG 48 -1.749 -3.786 -8.111 360 HB2 ARG 48 HB3 ARG 48 -1.698 -5.179 -10.197 361 HB3 ARG 48 HB2 ARG 48 -2.797 -5.779 -8.964 362 HG2 ARG 48 HG3 ARG 48 -4.725 -5.018 -10.164 363 HG3 ARG 48 HG2 ARG 48 -3.746 -4.112 -11.310 364 HD2 ARG 48 HD3 ARG 48 -3.490 -7.122 -11.054 365 HD3 ARG 48 HD2 ARG 48 -4.719 -6.377 -12.077 366 HE ARG 48 HE ARG 48 -3.049 -5.518 -13.480 367 HH11 ARG 48 HH11 ARG 48 -1.632 -7.554 -10.981 368 HH12 ARG 48 HH12 ARG 48 -0.133 -7.738 -11.836 369 HH21 ARG 48 HH21 ARG 48 -1.115 -5.727 -14.544 370 HH22 ARG 48 HH22 ARG 48 0.163 -6.695 -13.873 371 H GLU 49 H GLU 49 -3.857 -2.109 -10.455 372 HA GLU 49 HA GLU 49 -1.471 -0.716 -11.529 373 HB2 GLU 49 HB3 GLU 49 -3.870 -1.761 -13.090 374 HB3 GLU 49 HB2 GLU 49 -2.671 -0.659 -13.751 375 HG2 GLU 49 HG3 GLU 49 -0.904 -2.386 -13.350 376 HG3 GLU 49 HG2 GLU 49 -2.150 -3.485 -12.778 377 H THR 50 H THR 50 -3.447 -0.053 -9.384 378 HA THR 50 HA THR 50 -4.599 2.446 -10.235 379 HB THR 50 HB THR 50 -3.887 1.400 -7.448 380 HG1 THR 50 HG1 THR 50 -5.825 0.733 -9.087 381 HG21 THR 50 HG21 THR 50 -5.570 3.845 -8.163 382 HG22 THR 50 HG22 THR 50 -3.982 3.887 -7.401 383 HG23 THR 50 HG23 THR 50 -5.345 3.181 -6.538 384 H ASP 51 H ASP 51 -3.656 4.434 -10.184 385 HA ASP 51 HA ASP 51 -0.738 4.574 -9.938 386 HB2 ASP 51 HB3 ASP 51 -2.764 6.545 -11.059 387 HB3 ASP 51 HB2 ASP 51 -1.027 6.822 -11.017 388 H PHE 52 H PHE 52 0.274 5.696 -8.384 389 HA PHE 52 HA PHE 52 -0.902 6.482 -5.973 390 HB2 PHE 52 HB3 PHE 52 1.540 5.919 -6.358 391 HB3 PHE 52 HB2 PHE 52 1.746 7.470 -7.155 392 HD1 PHE 52 HD1 PHE 52 1.257 5.764 -3.937 393 HD2 PHE 52 HD2 PHE 52 1.839 9.557 -5.827 394 HE1 PHE 52 HE1 PHE 52 1.764 6.776 -1.760 395 HE2 PHE 52 HE2 PHE 52 2.347 10.558 -3.636 396 HZ PHE 52 HZ PHE 52 2.308 9.168 -1.609 397 H PHE 53 H PHE 53 0.134 8.348 -8.774 398 HA PHE 53 HA PHE 53 -0.372 10.928 -7.700 399 HB2 PHE 53 HB3 PHE 53 0.070 10.035 -10.581 400 HB3 PHE 53 HB2 PHE 53 0.080 11.709 -10.030 401 HD1 PHE 53 HD1 PHE 53 1.961 12.588 -8.687 402 HD2 PHE 53 HD2 PHE 53 1.931 8.530 -10.047 403 HE1 PHE 53 HE1 PHE 53 4.348 12.367 -8.126 404 HE2 PHE 53 HE2 PHE 53 4.313 8.330 -9.484 405 HZ PHE 53 HZ PHE 53 5.524 10.241 -8.518 406 H GLN 54 H GLN 54 -2.127 8.895 -10.037 407 HA GLN 54 HA GLN 54 -4.257 10.674 -10.570 408 HB2 GLN 54 HB3 GLN 54 -3.758 8.810 -12.065 409 HB3 GLN 54 HB2 GLN 54 -4.095 7.643 -10.789 410 HG2 GLN 54 HG3 GLN 54 -6.464 8.310 -10.787 411 HG3 GLN 54 HG2 GLN 54 -6.150 9.498 -12.051 412 HE21 GLN 54 HE21 GLN 54 -7.937 7.149 -11.980 413 HE22 GLN 54 HE22 GLN 54 -7.488 6.195 -13.348 414 H GLN 55 H GLN 55 -3.756 8.251 -8.056 415 HA GLN 55 HA GLN 55 -6.412 8.190 -7.011 416 HB2 GLN 55 HB3 GLN 55 -4.650 6.425 -6.656 417 HB3 GLN 55 HB2 GLN 55 -3.799 7.523 -5.577 418 HG2 GLN 55 HG3 GLN 55 -5.090 5.869 -4.315 419 HG3 GLN 55 HG2 GLN 55 -5.696 7.495 -4.029 420 HE21 GLN 55 HE21 GLN 55 -6.463 5.636 -6.941 421 HE22 GLN 55 HE22 GLN 55 -8.132 5.420 -6.571 422 H GLY 56 H GLY 56 -3.946 10.566 -6.807 423 HA2 GLY 56 HA3 GLY 56 -4.827 12.779 -6.115 424 HA3 GLY 56 HA2 GLY 56 -5.383 12.013 -4.638 425 H GLY 57 H GLY 57 -2.501 10.575 -5.231 426 HA2 GLY 57 HA3 GLY 57 -1.005 12.222 -3.370 427 HA3 GLY 57 HA2 GLY 57 -0.467 10.730 -4.135 428 H ASP 58 H ASP 58 1.353 12.699 -3.942 429 HA ASP 58 HA ASP 58 1.837 13.428 -6.747 430 HB2 ASP 58 HB3 ASP 58 2.312 15.718 -6.327 431 HB3 ASP 58 HB2 ASP 58 0.827 15.437 -5.434 432 H SER 59 H SER 59 4.289 14.569 -6.572 433 HA SER 59 HA SER 59 5.956 12.347 -5.996 434 HB2 SER 59 HB3 SER 59 7.815 13.888 -6.673 435 HB3 SER 59 HB2 SER 59 6.482 13.846 -7.828 436 HG SER 59 HG SER 59 7.463 15.938 -6.458 437 H LEU 60 H LEU 60 5.217 15.320 -4.185 438 HA LEU 60 HA LEU 60 7.376 15.117 -2.319 439 HB2 LEU 60 HB3 LEU 60 6.066 17.215 -2.818 440 HB3 LEU 60 HB2 LEU 60 4.690 16.543 -1.971 441 HG LEU 60 HG LEU 60 6.092 18.301 -0.727 442 HD11 LEU 60 HD11 LEU 60 5.707 15.684 0.749 443 HD12 LEU 60 HD12 LEU 60 4.475 16.915 0.468 444 HD13 LEU 60 HD13 LEU 60 5.874 17.292 1.467 445 HD21 LEU 60 HD21 LEU 60 8.311 17.492 -1.378 446 HD22 LEU 60 HD22 LEU 60 8.077 16.028 -0.421 447 HD23 LEU 60 HD23 LEU 60 8.156 17.601 0.374 448 H LEU 61 H LEU 61 3.955 14.098 -2.234 449 HA LEU 61 HA LEU 61 4.015 12.836 0.321 450 HB2 LEU 61 HB3 LEU 61 2.011 13.554 -1.332 451 HB3 LEU 61 HB2 LEU 61 2.119 11.883 -1.844 452 HG LEU 61 HG LEU 61 1.597 12.778 1.028 453 HD11 LEU 61 HD11 LEU 61 -0.751 12.139 0.666 454 HD12 LEU 61 HD12 LEU 61 -0.416 11.841 -1.042 455 HD13 LEU 61 HD13 LEU 61 -0.259 13.470 -0.379 456 HD21 LEU 61 HD21 LEU 61 2.600 10.550 0.941 457 HD22 LEU 61 HD22 LEU 61 1.366 10.009 -0.199 458 HD23 LEU 61 HD23 LEU 61 0.915 10.451 1.450 459 H ALA 62 H ALA 62 4.803 11.801 -2.937 460 HA ALA 62 HA ALA 62 5.088 9.007 -2.462 461 HB1 ALA 62 HB1 ALA 62 6.183 9.007 -4.677 462 HB2 ALA 62 HB2 ALA 62 6.206 10.771 -4.663 463 HB3 ALA 62 HB3 ALA 62 4.669 9.907 -4.682 464 H THR 63 H THR 63 7.272 11.782 -2.170 465 HA THR 63 HA THR 63 9.735 10.418 -1.830 466 HB THR 63 HB THR 63 8.863 13.116 -0.673 467 HG1 THR 63 HG1 THR 63 9.119 12.456 -3.159 468 HG21 THR 63 HG21 THR 63 10.931 12.296 0.432 469 HG22 THR 63 HG22 THR 63 11.266 13.681 -0.608 470 HG23 THR 63 HG23 THR 63 11.679 12.053 -1.146 471 H ARG 64 H ARG 64 7.110 11.221 0.373 472 HA ARG 64 HA ARG 64 8.385 10.342 2.794 473 HB2 ARG 64 HB3 ARG 64 5.430 10.775 2.156 474 HB3 ARG 64 HB2 ARG 64 6.118 10.608 3.770 475 HG2 ARG 64 HG3 ARG 64 7.447 12.687 3.393 476 HG3 ARG 64 HG2 ARG 64 6.686 12.854 1.812 477 HD2 ARG 64 HD3 ARG 64 4.468 13.070 2.911 478 HD3 ARG 64 HD2 ARG 64 5.263 12.944 4.491 479 HE ARG 64 HE ARG 64 6.440 15.008 2.913 480 HH11 ARG 64 HH11 ARG 64 3.612 14.380 4.912 481 HH12 ARG 64 HH12 ARG 64 3.370 16.054 5.297 482 HH21 ARG 64 HH21 ARG 64 6.084 17.212 3.433 483 HH22 ARG 64 HH22 ARG 64 4.758 17.649 4.466 484 H LEU 65 H LEU 65 6.022 8.980 0.519 485 HA LEU 65 HA LEU 65 5.287 6.618 1.792 486 HB2 LEU 65 HB3 LEU 65 4.120 7.636 -0.161 487 HB3 LEU 65 HB2 LEU 65 5.461 7.216 -1.200 488 HG LEU 65 HG LEU 65 3.332 5.770 -1.367 489 HD11 LEU 65 HD11 LEU 65 4.486 3.693 -1.825 490 HD12 LEU 65 HD12 LEU 65 5.898 4.227 -0.909 491 HD13 LEU 65 HD13 LEU 65 5.445 5.058 -2.396 492 HD21 LEU 65 HD21 LEU 65 2.898 5.547 1.035 493 HD22 LEU 65 HD22 LEU 65 4.357 4.571 1.220 494 HD23 LEU 65 HD23 LEU 65 3.011 3.975 0.245 495 H THR 66 H THR 66 7.862 7.173 -0.595 496 HA THR 66 HA THR 66 8.852 4.584 -0.888 497 HB THR 66 HB THR 66 11.033 5.750 -1.555 498 HG1 THR 66 HG1 THR 66 9.614 8.182 -1.368 499 HG21 THR 66 HG21 THR 66 8.501 6.798 -2.871 500 HG22 THR 66 HG22 THR 66 9.310 5.279 -3.254 501 HG23 THR 66 HG23 THR 66 10.118 6.812 -3.585 502 H GLY 67 H GLY 67 9.490 7.004 1.558 503 HA2 GLY 67 HA3 GLY 67 11.643 5.887 2.944 504 HA3 GLY 67 HA2 GLY 67 10.418 6.938 3.642 505 H GLN 68 H GLN 68 8.153 5.286 3.319 506 HA GLN 68 HA GLN 68 8.351 3.616 5.613 507 HB2 GLN 68 HB3 GLN 68 6.171 3.987 3.536 508 HB3 GLN 68 HB2 GLN 68 6.007 2.789 4.812 509 HG2 GLN 68 HG3 GLN 68 4.815 4.772 5.458 510 HG3 GLN 68 HG2 GLN 68 6.228 4.622 6.501 511 HE21 GLN 68 HE21 GLN 68 7.964 6.084 6.204 512 HE22 GLN 68 HE22 GLN 68 7.757 7.577 5.359 513 H LEU 69 H LEU 69 8.387 2.952 2.135 514 HA LEU 69 HA LEU 69 8.477 0.127 2.258 515 HB2 LEU 69 HB3 LEU 69 9.363 2.166 0.198 516 HB3 LEU 69 HB2 LEU 69 9.668 0.456 -0.065 517 HG LEU 69 HG LEU 69 6.869 1.553 0.446 518 HD11 LEU 69 HD11 LEU 69 7.737 2.605 -1.582 519 HD12 LEU 69 HD12 LEU 69 6.469 1.449 -1.971 520 HD13 LEU 69 HD13 LEU 69 8.163 1.028 -2.248 521 HD21 LEU 69 HD21 LEU 69 6.138 -0.598 -0.513 522 HD22 LEU 69 HD22 LEU 69 7.147 -0.839 0.910 523 HD23 LEU 69 HD23 LEU 69 7.822 -1.097 -0.701 524 H HIS 70 H HIS 70 11.072 2.587 2.409 525 HA HIS 70 HA HIS 70 13.306 0.864 2.471 526 HB2 HIS 70 HB3 HIS 70 12.905 3.615 3.722 527 HB3 HIS 70 HB2 HIS 70 14.457 2.774 3.729 528 HD1 HIS 70 HD1 HIS 70 12.773 5.250 1.851 529 HD2 HIS 70 HD2 HIS 70 15.162 2.013 0.906 530 HE1 HIS 70 HE1 HIS 70 13.576 5.676 -0.486 531 HE2 HIS 70 HE2 HIS 70 15.244 3.858 -0.888 532 H GLN 71 H GLN 71 11.177 1.985 5.018 533 HA GLN 71 HA GLN 71 12.586 0.746 7.209 534 HB2 GLN 71 HB3 GLN 71 9.778 1.914 6.995 535 HB3 GLN 71 HB2 GLN 71 10.582 1.485 8.505 536 HG2 GLN 71 HG3 GLN 71 12.305 3.191 8.113 537 HG3 GLN 71 HG2 GLN 71 11.606 3.576 6.550 538 HE21 GLN 71 HE21 GLN 71 11.161 3.833 10.010 539 HE22 GLN 71 HE22 GLN 71 9.980 5.092 9.956 540 H ALA 72 H ALA 72 10.382 -0.392 4.818 541 HA ALA 72 HA ALA 72 9.761 -2.872 6.273 542 HB1 ALA 72 HB1 ALA 72 7.962 -1.855 4.931 543 HB2 ALA 72 HB2 ALA 72 8.389 -3.439 4.288 544 HB3 ALA 72 HB3 ALA 72 8.951 -1.976 3.474 545 H GLY 73 H GLY 73 12.316 -1.670 4.494 546 HA2 GLY 73 HA3 GLY 73 14.333 -2.768 4.032 547 HA3 GLY 73 HA2 GLY 73 13.512 -4.319 4.108 548 H TYR 74 H TYR 74 12.296 -1.675 2.185 549 HA TYR 74 HA TYR 74 13.174 -2.966 -0.336 550 HB2 TYR 74 HB3 TYR 74 10.485 -1.544 0.078 551 HB3 TYR 74 HB2 TYR 74 11.022 -2.407 -1.369 552 HD1 TYR 74 HD1 TYR 74 8.893 -2.724 1.352 553 HD2 TYR 74 HD2 TYR 74 11.897 -4.957 -0.718 554 HE1 TYR 74 HE1 TYR 74 8.009 -4.815 2.303 555 HE2 TYR 74 HE2 TYR 74 11.002 -7.032 0.229 556 HH TYR 74 HH TYR 74 8.034 -7.200 1.902 557 H GLU 75 H GLU 75 14.204 -1.634 -1.723 558 HA GLU 75 HA GLU 75 14.702 1.102 -0.902 559 HB2 GLU 75 HB3 GLU 75 16.528 -0.639 -1.616 560 HB3 GLU 75 HB2 GLU 75 16.047 -0.267 -3.258 561 HG2 GLU 75 HG3 GLU 75 17.108 1.727 -1.237 562 HG3 GLU 75 HG2 GLU 75 18.039 1.002 -2.540 563 H ALA 76 H ALA 76 13.697 2.729 -1.821 564 HA ALA 76 HA ALA 76 12.012 2.312 -4.189 565 HB1 ALA 76 HB1 ALA 76 10.661 1.871 -2.200 566 HB2 ALA 76 HB2 ALA 76 10.148 3.378 -2.956 567 HB3 ALA 76 HB3 ALA 76 11.140 3.417 -1.494 568 H GLN 77 H GLN 77 12.775 3.764 -5.587 569 HA GLN 77 HA GLN 77 13.850 6.341 -4.696 570 HB2 GLN 77 HB3 GLN 77 13.727 5.005 -7.431 571 HB3 GLN 77 HB2 GLN 77 14.378 6.618 -7.170 572 HG2 GLN 77 HG3 GLN 77 15.482 4.089 -5.902 573 HG3 GLN 77 HG2 GLN 77 16.142 4.879 -7.336 574 HE21 GLN 77 HE21 GLN 77 17.397 4.381 -4.726 575 HE22 GLN 77 HE22 GLN 77 17.899 5.926 -4.148 576 H LEU 78 H LEU 78 12.866 8.301 -5.060 577 HA LEU 78 HA LEU 78 10.110 8.543 -5.591 578 HB2 LEU 78 HB3 LEU 78 11.512 10.177 -4.326 579 HB3 LEU 78 HB2 LEU 78 12.311 10.653 -5.811 580 HG LEU 78 HG LEU 78 10.436 12.189 -4.824 581 HD11 LEU 78 HD11 LEU 78 11.397 12.622 -7.038 582 HD12 LEU 78 HD12 LEU 78 9.670 12.970 -7.006 583 HD13 LEU 78 HD13 LEU 78 10.258 11.489 -7.771 584 HD21 LEU 78 HD21 LEU 78 8.155 11.669 -5.491 585 HD22 LEU 78 HD22 LEU 78 8.798 10.418 -4.434 586 HD23 LEU 78 HD23 LEU 78 8.676 10.128 -6.173 587 H SER 79 H SER 79 12.957 8.912 -7.645 588 HA SER 79 HA SER 79 11.782 9.754 -10.014 589 HB2 SER 79 HB3 SER 79 14.234 7.981 -9.664 590 HB3 SER 79 HB2 SER 79 13.820 8.888 -11.119 591 HG SER 79 HG SER 79 15.375 9.883 -9.648 592 H ASP 80 H ASP 80 12.158 6.449 -8.700 593 HA ASP 80 HA ASP 80 11.078 5.127 -11.006 594 HB2 ASP 80 HB3 ASP 80 11.816 4.224 -8.221 595 HB3 ASP 80 HB2 ASP 80 10.789 3.171 -9.196 596 H LEU 81 H LEU 81 9.592 6.433 -8.029 597 HA LEU 81 HA LEU 81 7.056 5.242 -8.535 598 HB2 LEU 81 HB3 LEU 81 8.162 6.867 -6.466 599 HB3 LEU 81 HB2 LEU 81 6.778 7.775 -7.062 600 HG LEU 81 HG LEU 81 6.721 4.895 -6.102 601 HD11 LEU 81 HD11 LEU 81 5.626 7.337 -4.703 602 HD12 LEU 81 HD12 LEU 81 7.112 6.488 -4.278 603 HD13 LEU 81 HD13 LEU 81 5.561 5.668 -4.134 604 HD21 LEU 81 HD21 LEU 81 4.381 6.654 -6.925 605 HD22 LEU 81 HD22 LEU 81 4.260 5.042 -6.214 606 HD23 LEU 81 HD23 LEU 81 4.992 5.247 -7.801 607 H PHE 82 H PHE 82 8.562 8.244 -9.608 608 HA PHE 82 HA PHE 82 6.206 9.291 -10.895 609 HB2 PHE 82 HB3 PHE 82 8.139 10.714 -10.068 610 HB3 PHE 82 HB2 PHE 82 9.119 10.074 -11.384 611 HD1 PHE 82 HD1 PHE 82 5.778 11.732 -10.844 612 HD2 PHE 82 HD2 PHE 82 9.228 11.390 -13.357 613 HE1 PHE 82 HE1 PHE 82 4.890 13.490 -12.321 614 HE2 PHE 82 HE2 PHE 82 8.325 13.151 -14.824 615 HZ PHE 82 HZ PHE 82 6.158 14.200 -14.305 616 H ASN 83 H ASN 83 8.917 7.249 -11.829 617 HA ASN 83 HA ASN 83 8.322 7.170 -14.664 618 HB2 ASN 83 HB3 ASN 83 10.641 6.890 -13.775 619 HB3 ASN 83 HB2 ASN 83 10.156 5.398 -12.972 620 HD21 ASN 83 HD21 ASN 83 11.612 4.114 -14.103 621 HD22 ASN 83 HD22 ASN 83 11.461 3.776 -15.791 622 H HIS 84 H HIS 84 7.451 5.336 -11.835 623 HA HIS 84 HA HIS 84 5.779 3.483 -13.423 624 HB2 HIS 84 HB3 HIS 84 7.250 2.701 -10.861 625 HB3 HIS 84 HB2 HIS 84 6.282 1.651 -11.885 626 HD1 HIS 84 HD1 HIS 84 7.394 0.861 -14.145 627 HD2 HIS 84 HD2 HIS 84 9.898 3.062 -11.658 628 HE1 HIS 84 HE1 HIS 84 9.710 0.543 -15.052 629 HE2 HIS 84 HE2 HIS 84 11.212 1.725 -13.434 630 HA PRO 85 HA PRO 85 3.359 5.970 -10.326 631 HB2 PRO 85 HB3 PRO 85 1.300 6.133 -12.467 632 HB3 PRO 85 HB2 PRO 85 2.135 7.443 -11.611 633 HG2 PRO 85 HG3 PRO 85 2.641 6.923 -14.203 634 HG3 PRO 85 HG2 PRO 85 3.928 7.473 -13.100 635 HD2 PRO 85 HD3 PRO 85 3.298 4.650 -14.002 636 HD3 PRO 85 HD2 PRO 85 4.869 5.489 -13.938 637 H ARG 86 H ARG 86 2.421 3.276 -12.425 638 HA ARG 86 HA ARG 86 0.190 2.342 -10.928 639 HB2 ARG 86 HB3 ARG 86 2.031 1.059 -12.955 640 HB3 ARG 86 HB2 ARG 86 0.961 0.028 -12.016 641 HG2 ARG 86 HG3 ARG 86 -0.062 0.436 -14.128 642 HG3 ARG 86 HG2 ARG 86 -0.988 1.313 -12.913 643 HD2 ARG 86 HD3 ARG 86 -0.011 3.414 -13.608 644 HD3 ARG 86 HD2 ARG 86 1.112 2.587 -14.693 645 HE ARG 86 HE ARG 86 -1.348 1.808 -15.532 646 HH11 ARG 86 HH11 ARG 86 0.193 4.941 -15.183 647 HH12 ARG 86 HH12 ARG 86 -0.729 5.653 -16.470 648 HH21 ARG 86 HH21 ARG 86 -2.581 2.755 -17.151 649 HH22 ARG 86 HH22 ARG 86 -2.298 4.412 -17.581 650 H LEU 87 H LEU 87 0.072 0.577 -9.510 651 HA LEU 87 HA LEU 87 1.877 0.710 -7.352 652 HB2 LEU 87 HB3 LEU 87 -0.595 0.372 -7.275 653 HB3 LEU 87 HB2 LEU 87 -0.382 -1.262 -7.868 654 HG LEU 87 HG LEU 87 0.923 -0.385 -5.266 655 HD11 LEU 87 HD11 LEU 87 -1.917 -1.414 -5.551 656 HD12 LEU 87 HD12 LEU 87 -1.427 0.205 -5.039 657 HD13 LEU 87 HD13 LEU 87 -1.036 -1.186 -4.037 658 HD21 LEU 87 HD21 LEU 87 0.744 -2.773 -4.678 659 HD22 LEU 87 HD22 LEU 87 1.654 -2.543 -6.166 660 HD23 LEU 87 HD23 LEU 87 -0.016 -3.107 -6.239 661 H ALA 88 H ALA 88 1.153 -1.949 -9.635 662 HA ALA 88 HA ALA 88 2.954 -3.821 -8.422 663 HB1 ALA 88 HB1 ALA 88 1.550 -3.960 -11.119 664 HB2 ALA 88 HB2 ALA 88 0.895 -4.535 -9.587 665 HB3 ALA 88 HB3 ALA 88 2.321 -5.308 -10.277 666 H ASP 89 H ASP 89 3.189 -1.511 -11.027 667 HA ASP 89 HA ASP 89 5.538 -2.486 -12.319 668 HB2 ASP 89 HB3 ASP 89 4.310 0.309 -12.231 669 HB3 ASP 89 HB2 ASP 89 5.651 -0.142 -13.276 670 H PHE 90 H PHE 90 4.967 -0.076 -9.768 671 HA PHE 90 HA PHE 90 7.733 0.583 -9.363 672 HB2 PHE 90 HB3 PHE 90 5.926 2.185 -8.825 673 HB3 PHE 90 HB2 PHE 90 5.307 1.093 -7.586 674 HD1 PHE 90 HD1 PHE 90 5.801 1.819 -5.415 675 HD2 PHE 90 HD2 PHE 90 8.677 2.525 -8.506 676 HE1 PHE 90 HE1 PHE 90 7.314 2.868 -3.793 677 HE2 PHE 90 HE2 PHE 90 10.175 3.572 -6.859 678 HZ PHE 90 HZ PHE 90 9.495 3.739 -4.509 679 H ALA 91 H ALA 91 5.447 -1.682 -7.948 680 HA ALA 91 HA ALA 91 6.868 -2.530 -5.676 681 HB1 ALA 91 HB1 ALA 91 4.950 -4.137 -7.404 682 HB2 ALA 91 HB2 ALA 91 4.503 -3.075 -6.069 683 HB3 ALA 91 HB3 ALA 91 5.443 -4.532 -5.752 684 H ALA 92 H ALA 92 7.102 -3.441 -9.075 685 HA ALA 92 HA ALA 92 8.865 -5.676 -8.807 686 HB1 ALA 92 HB1 ALA 92 9.155 -5.444 -11.249 687 HB2 ALA 92 HB2 ALA 92 8.337 -3.878 -11.200 688 HB3 ALA 92 HB3 ALA 92 7.458 -5.349 -10.787 689 H THR 93 H THR 93 9.365 -2.180 -9.196 690 HA THR 93 HA THR 93 12.224 -2.438 -9.686 691 HB THR 93 HB THR 93 12.150 0.122 -9.766 692 HG1 THR 93 HG1 THR 93 10.069 0.182 -8.513 693 HG21 THR 93 HG21 THR 93 10.269 -1.359 -11.638 694 HG22 THR 93 HG22 THR 93 12.022 -1.240 -11.825 695 HG23 THR 93 HG23 THR 93 11.021 0.206 -11.948 696 H LEU 94 H LEU 94 10.551 -2.739 -6.905 697 HA LEU 94 HA LEU 94 12.241 -1.257 -5.105 698 HB2 LEU 94 HB3 LEU 94 10.479 -3.681 -4.601 699 HB3 LEU 94 HB2 LEU 94 11.269 -2.748 -3.341 700 HG LEU 94 HG LEU 94 9.054 -1.784 -5.191 701 HD11 LEU 94 HD11 LEU 94 8.265 -3.255 -3.425 702 HD12 LEU 94 HD12 LEU 94 7.710 -1.610 -3.149 703 HD13 LEU 94 HD13 LEU 94 9.048 -2.260 -2.196 704 HD21 LEU 94 HD21 LEU 94 10.543 -0.186 -3.076 705 HD22 LEU 94 HD22 LEU 94 9.088 0.340 -3.930 706 HD23 LEU 94 HD23 LEU 94 10.581 0.075 -4.822 707 H ARG 95 H ARG 95 13.891 -2.129 -3.745 708 HA ARG 95 HA ARG 95 15.262 -4.601 -4.682 709 HB2 ARG 95 HB3 ARG 95 16.631 -1.999 -3.836 710 HB3 ARG 95 HB2 ARG 95 17.419 -3.448 -4.445 711 HG2 ARG 95 HG3 ARG 95 16.600 -3.069 -6.670 712 HG3 ARG 95 HG2 ARG 95 15.498 -1.804 -6.116 713 HD2 ARG 95 HD3 ARG 95 17.421 -0.378 -5.521 714 HD3 ARG 95 HD2 ARG 95 18.528 -1.652 -6.040 715 HE ARG 95 HE ARG 95 17.744 -1.331 -8.314 716 HH11 ARG 95 HH11 ARG 95 16.882 1.282 -6.103 717 HH12 ARG 95 HH12 ARG 95 16.701 2.441 -7.375 718 HH21 ARG 95 HH21 ARG 95 17.600 0.252 -9.937 719 HH22 ARG 95 HH22 ARG 95 17.106 1.859 -9.532 720 H LYS 96 H LYS 96 15.730 -5.993 -2.962 721 HA LYS 96 HA LYS 96 14.976 -5.447 -0.321 722 HB2 LYS 96 HB3 LYS 96 15.134 -7.747 -1.110 723 HB3 LYS 96 HB2 LYS 96 16.864 -7.596 -1.361 724 HG2 LYS 96 HG3 LYS 96 16.247 -8.904 0.688 725 HG3 LYS 96 HG2 LYS 96 17.293 -7.524 0.998 726 HD2 LYS 96 HD3 LYS 96 15.569 -7.751 2.743 727 HD3 LYS 96 HD2 LYS 96 15.389 -6.230 1.869 728 HE2 LYS 96 HE3 LYS 96 13.205 -7.233 2.280 729 HE3 LYS 96 HE2 LYS 96 13.536 -7.247 0.549 730 HZ1 LYS 96 HZ1 LYS 96 12.602 -9.331 1.249 731 HZ2 LYS 96 HZ2 LYS 96 13.809 -9.539 2.415 732 HZ3 LYS 96 HZ3 LYS 96 14.204 -9.577 0.773 733 H THR 97 H THR 97 15.791 -3.942 0.871 734 HA THR 97 HA THR 97 18.377 -2.759 0.509 735 HB THR 97 HB THR 97 16.293 -2.165 2.667 736 HG1 THR 97 HG1 THR 97 16.231 -1.733 -0.043 737 HG21 THR 97 HG21 THR 97 17.237 0.117 2.636 738 HG22 THR 97 HG22 THR 97 18.429 -0.377 1.433 739 HG23 THR 97 HG23 THR 97 18.481 -1.062 3.059 740 H ASP 98 H ASP 98 20.164 -3.047 1.730 741 HA ASP 98 HA ASP 98 20.307 -5.222 3.627 742 HB2 ASP 98 HB3 ASP 98 22.460 -3.251 2.748 743 HB3 ASP 98 HB2 ASP 98 22.731 -4.696 3.718 744 H VAL 99 H VAL 99 20.279 -5.087 5.754 745 HA VAL 99 HA VAL 99 19.668 -2.664 7.162 746 HB VAL 99 HB VAL 99 19.734 -4.085 9.203 747 HG11 VAL 99 HG11 VAL 99 17.671 -4.073 7.860 748 HG12 VAL 99 HG12 VAL 99 17.913 -5.646 8.615 749 HG13 VAL 99 HG13 VAL 99 18.261 -5.433 6.897 750 HG21 VAL 99 HG21 VAL 99 20.763 -6.277 7.358 751 HG22 VAL 99 HG22 VAL 99 20.252 -6.516 9.029 752 HG23 VAL 99 HG23 VAL 99 21.650 -5.502 8.671 753 HA PRO 100 HA PRO 100 23.862 -1.368 8.290 754 HB2 PRO 100 HB3 PRO 100 23.473 -0.233 10.778 755 HB3 PRO 100 HB2 PRO 100 22.990 0.550 9.262 756 HG2 PRO 100 HG3 PRO 100 21.292 -1.007 11.185 757 HG3 PRO 100 HG2 PRO 100 20.940 0.531 10.362 758 HD2 PRO 100 HD3 PRO 100 19.937 -1.828 9.472 759 HD3 PRO 100 HD2 PRO 100 20.379 -0.517 8.350 760 H VAL 101 H VAL 101 22.110 -3.699 10.150 761 HA VAL 101 HA VAL 101 22.665 -5.537 11.315 762 HB VAL 101 HB VAL 101 25.486 -5.010 10.279 763 HG11 VAL 101 HG11 VAL 101 25.697 -6.321 12.340 764 HG12 VAL 101 HG12 VAL 101 26.063 -7.327 10.942 765 HG13 VAL 101 HG13 VAL 101 24.506 -7.491 11.755 766 HG21 VAL 101 HG21 VAL 101 25.018 -6.848 8.706 767 HG22 VAL 101 HG22 VAL 101 23.844 -5.547 8.518 768 HG23 VAL 101 HG23 VAL 101 23.392 -7.027 9.368 769 H GLU 102 H GLU 102 22.177 -5.064 13.383 770 HA GLU 102 HA GLU 102 23.689 -3.244 15.021 771 HB2 GLU 102 HB3 GLU 102 21.496 -5.197 15.847 772 HB3 GLU 102 HB2 GLU 102 22.093 -3.848 16.805 773 HG2 GLU 102 HG3 GLU 102 20.539 -3.692 14.211 774 HG3 GLU 102 HG2 GLU 102 19.975 -3.235 15.815 775 H GLN 103 H GLN 103 25.707 -3.885 15.439 776 HA GLN 103 HA GLN 103 26.493 -6.585 16.024 777 HB2 GLN 103 HB3 GLN 103 28.048 -3.974 16.364 778 HB3 GLN 103 HB2 GLN 103 28.737 -5.595 16.402 779 HG2 GLN 103 HG3 GLN 103 28.037 -5.923 14.035 780 HG3 GLN 103 HG2 GLN 103 27.430 -4.271 14.006 781 HE21 GLN 103 HE21 GLN 103 30.278 -6.271 13.995 782 HE22 GLN 103 HE22 GLN 103 31.405 -5.020 13.604 783 HA PRO 104 HA PRO 104 25.506 -6.679 20.387 784 HB2 PRO 104 HB3 PRO 104 27.592 -8.283 21.352 785 HB3 PRO 104 HB2 PRO 104 26.157 -8.907 20.520 786 HG2 PRO 104 HG3 PRO 104 28.882 -8.355 19.396 787 HG3 PRO 104 HG2 PRO 104 27.809 -9.747 19.111 788 HD2 PRO 104 HD3 PRO 104 27.993 -7.770 17.303 789 HD3 PRO 104 HD2 PRO 104 26.432 -8.552 17.635 790 H PHE 105 H PHE 105 25.745 -4.784 21.448 791 HA PHE 105 HA PHE 105 27.974 -3.115 21.250 792 HB2 PHE 105 HB3 PHE 105 26.871 -1.629 22.893 793 HB3 PHE 105 HB2 PHE 105 25.783 -2.159 21.624 794 HD1 PHE 105 HD1 PHE 105 26.373 -2.068 25.211 795 HD2 PHE 105 HD2 PHE 105 24.001 -3.883 22.148 796 HE1 PHE 105 HE1 PHE 105 24.738 -2.794 26.896 797 HE2 PHE 105 HE2 PHE 105 22.373 -4.611 23.849 798 HZ PHE 105 HZ PHE 105 22.747 -4.071 26.222 799 H VAL 106 H VAL 106 29.829 -2.966 22.286 800 HA VAL 106 HA VAL 106 30.612 -5.027 24.135 801 HB VAL 106 HB VAL 106 32.879 -4.116 23.959 802 HG11 VAL 106 HG11 VAL 106 31.476 -4.171 21.259 803 HG12 VAL 106 HG12 VAL 106 32.080 -5.574 22.144 804 HG13 VAL 106 HG13 VAL 106 33.211 -4.372 21.524 805 HG21 VAL 106 HG21 VAL 106 32.374 -1.709 24.036 806 HG22 VAL 106 HG22 VAL 106 31.637 -1.787 22.436 807 HG23 VAL 106 HG23 VAL 106 33.369 -2.073 22.624 808 H HIS 107 H HIS 107 29.207 -1.997 24.586 809 HA HIS 107 HA HIS 107 30.383 -1.387 27.177 810 HB2 HIS 107 HB3 HIS 107 27.992 -0.173 25.714 811 HB3 HIS 107 HB2 HIS 107 28.640 0.424 27.242 812 HD1 HIS 107 HD1 HIS 107 30.643 1.968 27.131 813 HD2 HIS 107 HD2 HIS 107 29.762 0.247 23.446 814 HE1 HIS 107 HE1 HIS 107 32.050 3.194 25.455 815 HE2 HIS 107 HE2 HIS 107 31.616 2.039 23.267 816 H SER 108 H SER 108 28.733 -1.025 29.051 817 HA SER 108 HA SER 108 26.680 -3.129 29.198 818 HB2 SER 108 HB3 SER 108 28.711 -4.204 30.058 819 HB3 SER 108 HB2 SER 108 29.015 -2.851 31.149 820 HG SER 108 HG SER 108 27.240 -3.434 32.352 821 HA PRO 109 HA PRO 109 24.905 0.348 31.605 822 HB2 PRO 109 HB3 PRO 109 22.279 -0.277 31.220 823 HB3 PRO 109 HB2 PRO 109 23.240 0.536 29.970 824 HG2 PRO 109 HG3 PRO 109 22.430 -2.335 30.143 825 HG3 PRO 109 HG2 PRO 109 22.555 -1.281 28.719 826 HD2 PRO 109 HD3 PRO 109 24.494 -3.143 29.494 827 HD3 PRO 109 HD2 PRO 109 24.779 -1.758 28.418 828 H GLU 110 H GLU 110 24.720 0.241 33.743 829 HA GLU 110 HA GLU 110 24.211 -2.285 35.154 830 HB2 GLU 110 HB3 GLU 110 25.234 0.447 35.992 831 HB3 GLU 110 HB2 GLU 110 24.738 -0.737 37.198 832 HG2 GLU 110 HG3 GLU 110 27.169 -0.734 36.855 833 HG3 GLU 110 HG2 GLU 110 26.458 -2.290 36.436 834 H ASP 111 H ASP 111 23.061 -1.247 37.507 835 HA ASP 111 HA ASP 111 21.105 -0.839 38.545 836 HB2 ASP 111 HB3 ASP 111 20.106 0.450 35.963 837 HB3 ASP 111 HB2 ASP 111 19.240 0.460 37.495 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 30.709 17.381 -30.617 2 H2 GLY 1 H2 GLY 1 31.594 16.900 -29.264 3 H3 GLY 1 H3 GLY 1 31.366 18.543 -29.585 4 HA2 GLY 1 HA2 GLY 1 29.251 16.603 -28.869 5 HA3 GLY 1 HA3 GLY 1 29.931 17.819 -27.797 6 H THR 2 H THR 2 27.389 17.151 -29.814 7 HA THR 2 HA THR 2 26.617 20.014 -30.037 8 HB THR 2 HB THR 2 25.672 17.812 -31.938 9 HG1 THR 2 HG1 THR 2 27.754 17.956 -32.535 10 HG21 THR 2 HG21 THR 2 24.207 19.819 -31.832 11 HG22 THR 2 HG22 THR 2 24.990 19.664 -33.407 12 HG23 THR 2 HG23 THR 2 25.595 20.838 -32.241 13 H ILE 3 H ILE 3 24.368 20.436 -29.567 14 HA ILE 3 HA ILE 3 23.078 18.888 -27.635 15 HB ILE 3 HB ILE 3 22.486 21.207 -27.802 16 HG12 ILE 3 HG13 ILE 3 20.056 19.532 -28.586 17 HG13 ILE 3 HG12 ILE 3 20.705 19.683 -26.961 18 HG21 ILE 3 HG21 ILE 3 21.363 20.700 -30.580 19 HG22 ILE 3 HG22 ILE 3 22.841 21.587 -30.205 20 HG23 ILE 3 HG23 ILE 3 21.280 22.227 -29.693 21 HD11 ILE 3 HD11 ILE 3 18.727 21.023 -27.220 22 HD12 ILE 3 HD12 ILE 3 19.434 21.880 -28.588 23 HD13 ILE 3 HD13 ILE 3 20.124 22.070 -26.972 24 H ASP 4 H ASP 4 21.985 17.045 -27.745 25 HA ASP 4 HA ASP 4 21.488 15.761 -30.284 26 HB2 ASP 4 HB3 ASP 4 22.376 14.477 -28.345 27 HB3 ASP 4 HB2 ASP 4 20.873 14.769 -27.464 28 H TYR 5 H TYR 5 19.613 15.622 -31.306 29 HA TYR 5 HA TYR 5 17.446 17.361 -30.435 30 HB2 TYR 5 HB3 TYR 5 17.808 15.904 -33.088 31 HB3 TYR 5 HB2 TYR 5 16.741 17.270 -32.765 32 HD1 TYR 5 HD1 TYR 5 17.771 19.546 -32.245 33 HD2 TYR 5 HD2 TYR 5 20.130 16.275 -33.656 34 HE1 TYR 5 HE1 TYR 5 19.584 21.101 -32.824 35 HE2 TYR 5 HE2 TYR 5 21.943 17.828 -34.244 36 HH TYR 5 HH TYR 5 22.008 21.063 -33.162 37 H GLN 6 H GLN 6 17.982 13.917 -31.122 38 HA GLN 6 HA GLN 6 15.196 13.195 -31.173 39 HB2 GLN 6 HB3 GLN 6 16.038 10.841 -31.312 40 HB3 GLN 6 HB2 GLN 6 16.681 11.912 -32.539 41 HG2 GLN 6 HG3 GLN 6 18.613 10.809 -32.012 42 HG3 GLN 6 HG2 GLN 6 18.717 12.094 -30.817 43 HE21 GLN 6 HE21 GLN 6 19.937 9.450 -30.776 44 HE22 GLN 6 HE22 GLN 6 19.396 8.703 -29.316 45 H ALA 7 H ALA 7 17.463 13.665 -28.643 46 HA ALA 7 HA ALA 7 16.434 11.971 -26.629 47 HB1 ALA 7 HB1 ALA 7 17.800 14.655 -26.269 48 HB2 ALA 7 HB2 ALA 7 18.613 13.097 -26.416 49 HB3 ALA 7 HB3 ALA 7 17.582 13.422 -25.021 50 H LEU 8 H LEU 8 15.329 15.051 -27.857 51 HA LEU 8 HA LEU 8 13.440 15.588 -25.753 52 HB2 LEU 8 HB3 LEU 8 13.716 16.709 -28.573 53 HB3 LEU 8 HB2 LEU 8 12.458 17.212 -27.458 54 HG LEU 8 HG LEU 8 14.279 17.980 -25.856 55 HD11 LEU 8 HD11 LEU 8 16.535 18.395 -26.707 56 HD12 LEU 8 HD12 LEU 8 16.134 17.577 -28.219 57 HD13 LEU 8 HD13 LEU 8 16.162 16.671 -26.707 58 HD21 LEU 8 HD21 LEU 8 13.025 19.561 -27.235 59 HD22 LEU 8 HD22 LEU 8 14.184 19.364 -28.551 60 HD23 LEU 8 HD23 LEU 8 14.694 20.092 -27.025 61 H LYS 9 H LYS 9 12.222 13.763 -25.455 62 HA LYS 9 HA LYS 9 10.295 12.909 -27.453 63 HB2 LYS 9 HB3 LYS 9 12.521 11.750 -27.975 64 HB3 LYS 9 HB2 LYS 9 12.371 10.918 -26.436 65 HG2 LYS 9 HG3 LYS 9 10.994 9.350 -27.339 66 HG3 LYS 9 HG2 LYS 9 9.903 10.580 -27.973 67 HD2 LYS 9 HD3 LYS 9 12.424 9.546 -29.328 68 HD3 LYS 9 HD2 LYS 9 10.762 9.168 -29.786 69 HE2 LYS 9 HE3 LYS 9 10.360 11.526 -30.364 70 HE3 LYS 9 HE2 LYS 9 11.997 11.948 -29.858 71 HZ1 LYS 9 HZ1 LYS 9 11.311 10.116 -32.092 72 HZ2 LYS 9 HZ2 LYS 9 12.867 10.559 -31.608 73 HZ3 LYS 9 HZ3 LYS 9 11.828 11.718 -32.252 74 H ARG 10 H ARG 10 8.514 12.022 -26.470 75 HA ARG 10 HA ARG 10 8.447 11.923 -23.557 76 HB2 ARG 10 HB3 ARG 10 6.074 11.747 -23.686 77 HB3 ARG 10 HB2 ARG 10 6.529 12.907 -24.920 78 HG2 ARG 10 HG3 ARG 10 5.888 10.000 -25.502 79 HG3 ARG 10 HG2 ARG 10 4.691 11.289 -25.545 80 HD2 ARG 10 HD3 ARG 10 6.030 12.418 -27.332 81 HD3 ARG 10 HD2 ARG 10 7.142 11.043 -27.324 82 HE ARG 10 HE ARG 10 4.759 9.852 -27.729 83 HH11 ARG 10 HH11 ARG 10 6.295 12.566 -29.393 84 HH12 ARG 10 HH12 ARG 10 5.513 12.218 -30.902 85 HH21 ARG 10 HH21 ARG 10 3.716 9.460 -29.711 86 HH22 ARG 10 HH22 ARG 10 4.060 10.468 -31.080 87 H ARG 11 H ARG 11 7.437 10.075 -22.454 88 HA ARG 11 HA ARG 11 7.578 7.443 -23.693 89 HB2 ARG 11 HB3 ARG 11 9.924 8.160 -22.682 90 HB3 ARG 11 HB2 ARG 11 9.162 7.883 -21.120 91 HG2 ARG 11 HG3 ARG 11 8.788 5.531 -21.672 92 HG3 ARG 11 HG2 ARG 11 9.384 5.786 -23.313 93 HD2 ARG 11 HD3 ARG 11 11.618 6.352 -22.401 94 HD3 ARG 11 HD2 ARG 11 11.020 6.049 -20.766 95 HE ARG 11 HE ARG 11 10.489 3.734 -22.129 96 HH11 ARG 11 HH11 ARG 11 13.430 5.574 -21.513 97 HH12 ARG 11 HH12 ARG 11 14.462 4.185 -21.576 98 HH21 ARG 11 HH21 ARG 11 11.867 1.915 -22.259 99 HH22 ARG 11 HH22 ARG 11 13.571 2.105 -22.000 100 H HIS 12 H HIS 12 7.265 5.972 -21.244 101 HA HIS 12 HA HIS 12 5.769 5.323 -19.684 102 HB2 HIS 12 HB3 HIS 12 4.888 8.245 -19.646 103 HB3 HIS 12 HB2 HIS 12 4.228 7.010 -18.583 104 HD1 HIS 12 HD1 HIS 12 7.670 8.471 -19.365 105 HD2 HIS 12 HD2 HIS 12 5.480 6.929 -16.192 106 HE1 HIS 12 HE1 HIS 12 9.112 8.777 -17.337 107 HE2 HIS 12 HE2 HIS 12 7.625 8.116 -15.426 108 H THR 13 H THR 13 3.308 5.128 -19.314 109 HA THR 13 HA THR 13 1.721 5.608 -21.751 110 HB THR 13 HB THR 13 2.233 3.237 -21.848 111 HG1 THR 13 HG1 THR 13 0.198 3.446 -22.521 112 HG21 THR 13 HG21 THR 13 2.789 2.729 -19.514 113 HG22 THR 13 HG22 THR 13 1.517 1.645 -20.075 114 HG23 THR 13 HG23 THR 13 1.116 3.006 -19.028 115 HA PRO 14 HA PRO 14 -0.753 7.447 -18.390 116 HB2 PRO 14 HB3 PRO 14 -2.153 9.203 -19.876 117 HB3 PRO 14 HB2 PRO 14 -0.399 9.407 -19.668 118 HG2 PRO 14 HG3 PRO 14 -1.893 8.281 -22.015 119 HG3 PRO 14 HG2 PRO 14 -0.511 9.401 -21.994 120 HD2 PRO 14 HD3 PRO 14 -0.308 6.643 -22.388 121 HD3 PRO 14 HD2 PRO 14 1.022 7.690 -21.843 122 H GLU 15 H GLU 15 -1.585 5.054 -20.443 123 HA GLU 15 HA GLU 15 -4.441 5.212 -20.587 124 HB2 GLU 15 HB3 GLU 15 -2.720 2.702 -20.831 125 HB3 GLU 15 HB2 GLU 15 -4.346 2.931 -21.458 126 HG2 GLU 15 HG3 GLU 15 -1.835 4.316 -22.435 127 HG3 GLU 15 HG2 GLU 15 -2.670 2.993 -23.244 128 H ALA 16 H ALA 16 -4.932 5.712 -18.375 129 HA ALA 16 HA ALA 16 -4.388 3.682 -16.313 130 HB1 ALA 16 HB1 ALA 16 -3.824 6.027 -15.775 131 HB2 ALA 16 HB2 ALA 16 -5.088 5.420 -14.706 132 HB3 ALA 16 HB3 ALA 16 -5.504 6.506 -16.036 133 H GLU 17 H GLU 17 -5.887 2.150 -17.301 134 HA GLU 17 HA GLU 17 -8.692 2.568 -17.319 135 HB2 GLU 17 HB3 GLU 17 -6.963 0.091 -17.363 136 HB3 GLU 17 HB2 GLU 17 -8.693 -0.080 -17.106 137 HG2 GLU 17 HG3 GLU 17 -7.470 1.332 -19.492 138 HG3 GLU 17 HG2 GLU 17 -7.968 -0.357 -19.489 139 H ASN 18 H ASN 18 -10.265 2.117 -15.853 140 HA ASN 18 HA ASN 18 -9.622 2.417 -13.080 141 HB2 ASN 18 HB3 ASN 18 -12.314 1.781 -14.377 142 HB3 ASN 18 HB2 ASN 18 -12.072 2.324 -12.719 143 HD21 ASN 18 HD21 ASN 18 -13.665 3.534 -14.829 144 HD22 ASN 18 HD22 ASN 18 -13.060 5.137 -15.040 145 HA PRO 19 HA PRO 19 -9.218 -2.097 -12.787 146 HB2 PRO 19 HB3 PRO 19 -7.684 -1.899 -10.383 147 HB3 PRO 19 HB2 PRO 19 -7.048 -1.934 -12.034 148 HG2 PRO 19 HG3 PRO 19 -6.887 0.243 -10.271 149 HG3 PRO 19 HG2 PRO 19 -6.573 0.289 -12.018 150 HD2 PRO 19 HD3 PRO 19 -9.060 1.064 -10.525 151 HD3 PRO 19 HD2 PRO 19 -8.326 1.798 -11.973 152 H ALA 20 H ALA 20 -11.631 -1.708 -12.306 153 HA ALA 20 HA ALA 20 -12.508 -1.705 -9.542 154 HB1 ALA 20 HB1 ALA 20 -13.695 -0.378 -11.232 155 HB2 ALA 20 HB2 ALA 20 -14.762 -1.570 -10.495 156 HB3 ALA 20 HB3 ALA 20 -14.121 -1.845 -12.119 157 H GLU 21 H GLU 21 -11.807 -4.102 -11.922 158 HA GLU 21 HA GLU 21 -13.576 -6.177 -10.947 159 HB2 GLU 21 HB3 GLU 21 -11.271 -6.122 -12.933 160 HB3 GLU 21 HB2 GLU 21 -12.124 -7.606 -12.531 161 HG2 GLU 21 HG3 GLU 21 -13.403 -5.134 -13.727 162 HG3 GLU 21 HG2 GLU 21 -12.933 -6.572 -14.631 163 H ALA 22 H ALA 22 -11.738 -8.407 -10.981 164 HA ALA 22 HA ALA 22 -10.650 -8.358 -8.318 165 HB1 ALA 22 HB1 ALA 22 -9.995 -10.691 -8.807 166 HB2 ALA 22 HB2 ALA 22 -10.391 -10.462 -10.513 167 HB3 ALA 22 HB3 ALA 22 -11.665 -10.393 -9.293 168 H ASP 23 H ASP 23 -9.372 -6.324 -9.272 169 HA ASP 23 HA ASP 23 -6.742 -7.052 -10.393 170 HB2 ASP 23 HB3 ASP 23 -8.055 -4.321 -9.954 171 HB3 ASP 23 HB2 ASP 23 -6.465 -4.571 -10.672 172 H LEU 24 H LEU 24 -7.916 -7.227 -7.484 173 HA LEU 24 HA LEU 24 -6.522 -5.475 -5.808 174 HB2 LEU 24 HB3 LEU 24 -7.718 -8.230 -5.335 175 HB3 LEU 24 HB2 LEU 24 -6.851 -7.387 -4.060 176 HG LEU 24 HG LEU 24 -8.480 -5.470 -4.282 177 HD11 LEU 24 HD11 LEU 24 -9.257 -5.842 -6.556 178 HD12 LEU 24 HD12 LEU 24 -10.606 -5.788 -5.426 179 HD13 LEU 24 HD13 LEU 24 -10.054 -7.338 -6.064 180 HD21 LEU 24 HD21 LEU 24 -9.689 -8.144 -3.519 181 HD22 LEU 24 HD22 LEU 24 -10.294 -6.556 -3.036 182 HD23 LEU 24 HD23 LEU 24 -8.711 -7.098 -2.486 183 HA PRO 25 HA PRO 25 -2.319 -6.497 -6.217 184 HB2 PRO 25 HB3 PRO 25 -1.343 -6.180 -3.635 185 HB3 PRO 25 HB2 PRO 25 -1.792 -4.826 -4.688 186 HG2 PRO 25 HG3 PRO 25 -3.426 -6.148 -2.538 187 HG3 PRO 25 HG2 PRO 25 -3.171 -4.416 -2.844 188 HD2 PRO 25 HD3 PRO 25 -5.416 -5.595 -3.664 189 HD3 PRO 25 HD2 PRO 25 -4.616 -4.389 -4.701 190 H GLN 26 H GLN 26 -1.454 -8.445 -6.592 191 HA GLN 26 HA GLN 26 -1.922 -10.696 -4.715 192 HB2 GLN 26 HB3 GLN 26 -1.551 -10.750 -7.744 193 HB3 GLN 26 HB2 GLN 26 -1.727 -12.177 -6.726 194 HG2 GLN 26 HG3 GLN 26 -4.001 -11.489 -6.125 195 HG3 GLN 26 HG2 GLN 26 -3.815 -10.015 -7.075 196 HE21 GLN 26 HE21 GLN 26 -3.785 -10.161 -9.338 197 HE22 GLN 26 HE22 GLN 26 -4.408 -11.541 -10.168 198 H GLY 27 H GLY 27 -0.132 -11.127 -3.608 199 HA2 GLY 27 HA3 GLY 27 2.206 -12.041 -3.844 200 HA3 GLY 27 HA2 GLY 27 2.551 -10.588 -4.788 201 H ASP 28 H ASP 28 3.905 -11.336 -2.391 202 HA ASP 28 HA ASP 28 2.856 -10.185 -0.032 203 HB2 ASP 28 HB3 ASP 28 5.784 -10.699 -0.738 204 HB3 ASP 28 HB2 ASP 28 5.164 -10.396 0.885 205 H ILE 29 H ILE 29 5.113 -8.942 -2.463 206 HA ILE 29 HA ILE 29 5.685 -6.470 -1.162 207 HB ILE 29 HB ILE 29 5.991 -7.128 -4.132 208 HG12 ILE 29 HG13 ILE 29 7.171 -8.820 -2.815 209 HG13 ILE 29 HG12 ILE 29 8.349 -7.752 -3.564 210 HG21 ILE 29 HG21 ILE 29 7.747 -5.390 -4.134 211 HG22 ILE 29 HG22 ILE 29 7.406 -5.031 -2.440 212 HG23 ILE 29 HG23 ILE 29 6.181 -4.718 -3.671 213 HD11 ILE 29 HD11 ILE 29 7.478 -7.717 -0.671 214 HD12 ILE 29 HD12 ILE 29 8.609 -6.574 -1.401 215 HD13 ILE 29 HD13 ILE 29 9.014 -8.286 -1.318 216 H GLU 30 H GLU 30 3.407 -7.468 -3.695 217 HA GLU 30 HA GLU 30 2.457 -4.939 -4.499 218 HB2 GLU 30 HB3 GLU 30 1.204 -7.718 -4.572 219 HB3 GLU 30 HB2 GLU 30 0.401 -6.313 -5.263 220 HG2 GLU 30 HG3 GLU 30 1.553 -7.668 -6.969 221 HG3 GLU 30 HG2 GLU 30 2.184 -6.024 -6.889 222 H LYS 31 H LYS 31 1.208 -7.248 -2.084 223 HA LYS 31 HA LYS 31 -1.069 -5.766 -1.273 224 HB2 LYS 31 HB3 LYS 31 0.517 -7.993 0.075 225 HB3 LYS 31 HB2 LYS 31 -0.952 -7.319 0.781 226 HG2 LYS 31 HG3 LYS 31 -2.267 -8.024 -1.129 227 HG3 LYS 31 HG2 LYS 31 -0.819 -8.585 -1.972 228 HD2 LYS 31 HD3 LYS 31 -0.485 -10.357 -0.336 229 HD3 LYS 31 HD2 LYS 31 -1.794 -9.735 0.675 230 HE2 LYS 31 HE3 LYS 31 -3.421 -10.258 -1.084 231 HE3 LYS 31 HE2 LYS 31 -2.122 -10.838 -2.132 232 HZ1 LYS 31 HZ1 LYS 31 -2.863 -12.010 0.492 233 HZ2 LYS 31 HZ2 LYS 31 -1.654 -12.580 -0.540 234 HZ3 LYS 31 HZ3 LYS 31 -3.276 -12.645 -1.014 235 H GLN 32 H GLN 32 2.255 -5.844 -0.110 236 HA GLN 32 HA GLN 32 1.874 -4.299 2.254 237 HB2 GLN 32 HB3 GLN 32 3.750 -5.775 2.089 238 HB3 GLN 32 HB2 GLN 32 4.306 -5.030 0.594 239 HG2 GLN 32 HG3 GLN 32 4.936 -2.992 1.816 240 HG3 GLN 32 HG2 GLN 32 4.300 -3.688 3.314 241 HE21 GLN 32 HE21 GLN 32 6.389 -3.429 4.232 242 HE22 GLN 32 HE22 GLN 32 7.662 -4.536 3.874 243 H VAL 33 H VAL 33 3.076 -3.464 -1.014 244 HA VAL 33 HA VAL 33 3.459 -0.695 -0.613 245 HB VAL 33 HB VAL 33 2.816 -2.244 -3.172 246 HG11 VAL 33 HG11 VAL 33 3.672 -0.305 -4.448 247 HG12 VAL 33 HG12 VAL 33 3.817 0.622 -2.952 248 HG13 VAL 33 HG13 VAL 33 2.226 0.122 -3.527 249 HG21 VAL 33 HG21 VAL 33 5.233 -2.092 -3.622 250 HG22 VAL 33 HG22 VAL 33 4.938 -2.890 -2.078 251 HG23 VAL 33 HG23 VAL 33 5.473 -1.211 -2.109 252 H ALA 34 H ALA 34 0.640 -2.580 -1.641 253 HA ALA 34 HA ALA 34 -1.144 -0.464 -2.178 254 HB1 ALA 34 HB1 ALA 34 -1.526 -2.763 -2.929 255 HB2 ALA 34 HB2 ALA 34 -2.904 -2.165 -2.002 256 HB3 ALA 34 HB3 ALA 34 -1.757 -3.290 -1.262 257 H ALA 35 H ALA 35 -0.410 -2.267 0.785 258 HA ALA 35 HA ALA 35 -2.377 -1.161 2.472 259 HB1 ALA 35 HB1 ALA 35 -0.951 -1.935 4.329 260 HB2 ALA 35 HB2 ALA 35 0.382 -2.211 3.200 261 HB3 ALA 35 HB3 ALA 35 -1.097 -3.169 3.078 262 H LEU 36 H LEU 36 1.015 -0.233 1.850 263 HA LEU 36 HA LEU 36 1.138 1.982 3.587 264 HB2 LEU 36 HB3 LEU 36 2.751 1.300 1.095 265 HB3 LEU 36 HB2 LEU 36 3.148 2.642 2.157 266 HG LEU 36 HG LEU 36 3.090 -0.278 3.022 267 HD11 LEU 36 HD11 LEU 36 5.501 1.459 2.415 268 HD12 LEU 36 HD12 LEU 36 4.914 0.110 1.443 269 HD13 LEU 36 HD13 LEU 36 5.534 -0.184 3.063 270 HD21 LEU 36 HD21 LEU 36 4.194 0.516 5.074 271 HD22 LEU 36 HD22 LEU 36 2.593 1.221 4.876 272 HD23 LEU 36 HD23 LEU 36 4.030 2.187 4.526 273 H TRP 37 H TRP 37 0.122 1.747 0.185 274 HA TRP 37 HA TRP 37 -0.156 4.560 -0.260 275 HB2 TRP 37 HB3 TRP 37 -1.381 2.143 -1.648 276 HB3 TRP 37 HB2 TRP 37 -1.721 3.793 -2.161 277 HD1 TRP 37 HD1 TRP 37 1.879 3.166 -1.129 278 HE1 TRP 37 HE1 TRP 37 3.360 3.095 -3.221 279 HE3 TRP 37 HE3 TRP 37 -1.763 3.069 -4.713 280 HZ2 TRP 37 HZ2 TRP 37 3.058 3.007 -6.002 281 HZ3 TRP 37 HZ3 TRP 37 -1.075 2.991 -7.071 282 HH2 TRP 37 HH2 TRP 37 1.284 2.959 -7.701 283 H GLN 38 H GLN 38 -2.369 2.040 0.907 284 HA GLN 38 HA GLN 38 -4.675 3.741 1.126 285 HB2 GLN 38 HB3 GLN 38 -3.994 0.949 2.082 286 HB3 GLN 38 HB2 GLN 38 -5.475 1.725 2.635 287 HG2 GLN 38 HG3 GLN 38 -6.350 1.870 0.411 288 HG3 GLN 38 HG2 GLN 38 -4.799 1.422 -0.299 289 HE21 GLN 38 HE21 GLN 38 -4.288 -0.728 -0.508 290 HE22 GLN 38 HE22 GLN 38 -5.356 -2.016 -0.080 291 H GLN 39 H GLN 39 -1.930 3.223 3.168 292 HA GLN 39 HA GLN 39 -3.171 4.262 5.598 293 HB2 GLN 39 HB3 GLN 39 -0.291 3.499 4.926 294 HB3 GLN 39 HB2 GLN 39 -0.810 4.073 6.511 295 HG2 GLN 39 HG3 GLN 39 -2.270 2.130 6.784 296 HG3 GLN 39 HG2 GLN 39 -1.884 1.579 5.159 297 HE21 GLN 39 HE21 GLN 39 -0.721 1.862 8.428 298 HE22 GLN 39 HE22 GLN 39 0.644 0.825 8.245 299 H LEU 40 H LEU 40 -0.680 5.330 3.263 300 HA LEU 40 HA LEU 40 -0.238 7.888 4.436 301 HB2 LEU 40 HB3 LEU 40 0.566 6.517 1.866 302 HB3 LEU 40 HB2 LEU 40 0.819 8.242 2.016 303 HG LEU 40 HG LEU 40 2.847 6.913 2.537 304 HD11 LEU 40 HD11 LEU 40 3.511 8.102 4.568 305 HD12 LEU 40 HD12 LEU 40 1.824 8.489 4.918 306 HD13 LEU 40 HD13 LEU 40 2.609 9.161 3.486 307 HD21 LEU 40 HD21 LEU 40 1.296 5.856 4.916 308 HD22 LEU 40 HD22 LEU 40 3.030 5.659 4.660 309 HD23 LEU 40 HD23 LEU 40 1.891 4.927 3.540 310 H LEU 41 H LEU 41 -1.852 6.956 1.349 311 HA LEU 41 HA LEU 41 -2.961 9.552 0.874 312 HB2 LEU 41 HB3 LEU 41 -3.845 6.885 -0.298 313 HB3 LEU 41 HB2 LEU 41 -4.247 8.471 -0.933 314 HG LEU 41 HG LEU 41 -1.490 7.239 -0.874 315 HD11 LEU 41 HD11 LEU 41 -2.925 6.116 -2.486 316 HD12 LEU 41 HD12 LEU 41 -1.685 7.056 -3.312 317 HD13 LEU 41 HD13 LEU 41 -3.343 7.663 -3.229 318 HD21 LEU 41 HD21 LEU 41 -1.350 9.661 -0.646 319 HD22 LEU 41 HD22 LEU 41 -2.391 9.879 -2.056 320 HD23 LEU 41 HD23 LEU 41 -0.787 9.165 -2.240 321 H SER 42 H SER 42 -3.976 6.793 2.724 322 HA SER 42 HA SER 42 -5.679 6.360 4.133 323 HB2 SER 42 HB3 SER 42 -6.309 9.345 3.945 324 HB3 SER 42 HB2 SER 42 -6.830 8.240 5.226 325 HG SER 42 HG SER 42 -4.096 8.643 4.595 326 H THR 43 H THR 43 -6.242 5.384 1.887 327 HA THR 43 HA THR 43 -8.744 6.460 0.723 328 HB THR 43 HB THR 43 -8.126 5.147 -1.291 329 HG1 THR 43 HG1 THR 43 -6.796 3.534 -0.977 330 HG21 THR 43 HG21 THR 43 -6.085 6.412 -1.947 331 HG22 THR 43 HG22 THR 43 -5.865 6.892 -0.263 332 HG23 THR 43 HG23 THR 43 -7.278 7.448 -1.162 333 H GLY 44 H GLY 44 -10.011 4.588 -0.429 334 HA2 GLY 44 HA3 GLY 44 -10.987 2.748 1.550 335 HA3 GLY 44 HA2 GLY 44 -11.529 2.894 -0.116 336 H ASN 45 H ASN 45 -9.951 2.035 -1.788 337 HA ASN 45 HA ASN 45 -8.104 -0.055 -0.926 338 HB2 ASN 45 HB3 ASN 45 -10.560 -0.655 -2.641 339 HB3 ASN 45 HB2 ASN 45 -9.142 -1.691 -2.645 340 HD21 ASN 45 HD21 ASN 45 -8.597 -1.529 0.189 341 HD22 ASN 45 HD22 ASN 45 -9.850 -2.404 0.987 342 H VAL 46 H VAL 46 -6.315 0.114 -2.145 343 HA VAL 46 HA VAL 46 -6.487 1.183 -4.911 344 HB VAL 46 HB VAL 46 -4.053 1.662 -4.770 345 HG11 VAL 46 HG11 VAL 46 -5.631 2.950 -2.508 346 HG12 VAL 46 HG12 VAL 46 -5.615 3.462 -4.198 347 HG13 VAL 46 HG13 VAL 46 -4.149 3.592 -3.226 348 HG21 VAL 46 HG21 VAL 46 -2.842 1.529 -2.620 349 HG22 VAL 46 HG22 VAL 46 -3.385 -0.059 -3.154 350 HG23 VAL 46 HG23 VAL 46 -4.251 0.777 -1.866 351 H THR 47 H THR 47 -5.396 0.025 -6.572 352 HA THR 47 HA THR 47 -4.931 -2.850 -6.029 353 HB THR 47 HB THR 47 -6.248 -3.287 -8.186 354 HG1 THR 47 HG1 THR 47 -6.950 -0.559 -7.740 355 HG21 THR 47 HG21 THR 47 -8.451 -3.181 -7.089 356 HG22 THR 47 HG22 THR 47 -7.800 -2.097 -5.859 357 HG23 THR 47 HG23 THR 47 -7.222 -3.763 -5.964 358 H ARG 48 H ARG 48 -4.328 -3.814 -8.470 359 HA ARG 48 HA ARG 48 -1.607 -3.152 -8.582 360 HB2 ARG 48 HB3 ARG 48 -1.413 -4.815 -10.338 361 HB3 ARG 48 HB2 ARG 48 -2.548 -5.390 -9.123 362 HG2 ARG 48 HG3 ARG 48 -4.439 -4.782 -10.579 363 HG3 ARG 48 HG2 ARG 48 -3.316 -4.176 -11.798 364 HD2 ARG 48 HD3 ARG 48 -3.665 -7.045 -10.878 365 HD3 ARG 48 HD2 ARG 48 -4.022 -6.370 -12.469 366 HE ARG 48 HE ARG 48 -1.387 -7.043 -11.382 367 HH11 ARG 48 HH11 ARG 48 -3.198 -5.713 -14.103 368 HH12 ARG 48 HH12 ARG 48 -1.864 -5.837 -15.200 369 HH21 ARG 48 HH21 ARG 48 0.359 -7.138 -12.822 370 HH22 ARG 48 HH22 ARG 48 0.151 -6.645 -14.466 371 H GLU 49 H GLU 49 -4.259 -2.029 -10.666 372 HA GLU 49 HA GLU 49 -2.317 -0.528 -12.323 373 HB2 GLU 49 HB3 GLU 49 -5.193 -1.323 -12.903 374 HB3 GLU 49 HB2 GLU 49 -4.305 -0.155 -13.879 375 HG2 GLU 49 HG3 GLU 49 -2.544 -2.046 -14.165 376 HG3 GLU 49 HG2 GLU 49 -3.815 -3.120 -13.582 377 H THR 50 H THR 50 -3.914 0.074 -9.585 378 HA THR 50 HA THR 50 -4.696 2.804 -10.115 379 HB THR 50 HB THR 50 -3.927 1.502 -7.453 380 HG1 THR 50 HG1 THR 50 -6.417 1.749 -8.813 381 HG21 THR 50 HG21 THR 50 -5.224 3.323 -6.409 382 HG22 THR 50 HG22 THR 50 -5.530 4.041 -7.992 383 HG23 THR 50 HG23 THR 50 -3.885 3.988 -7.351 384 H ASP 51 H ASP 51 -3.309 4.509 -10.309 385 HA ASP 51 HA ASP 51 -0.440 4.164 -9.754 386 HB2 ASP 51 HB3 ASP 51 -1.784 6.629 -10.952 387 HB3 ASP 51 HB2 ASP 51 -0.079 6.229 -10.969 388 H PHE 52 H PHE 52 0.660 5.516 -8.295 389 HA PHE 52 HA PHE 52 -0.630 6.323 -5.939 390 HB2 PHE 52 HB3 PHE 52 1.808 5.796 -6.126 391 HB3 PHE 52 HB2 PHE 52 2.053 7.271 -7.048 392 HD1 PHE 52 HD1 PHE 52 1.015 5.967 -3.717 393 HD2 PHE 52 HD2 PHE 52 2.437 9.356 -5.917 394 HE1 PHE 52 HE1 PHE 52 1.379 7.192 -1.615 395 HE2 PHE 52 HE2 PHE 52 2.793 10.565 -3.806 396 HZ PHE 52 HZ PHE 52 2.265 9.487 -1.664 397 H PHE 53 H PHE 53 0.322 8.086 -8.816 398 HA PHE 53 HA PHE 53 -0.465 10.692 -7.854 399 HB2 PHE 53 HB3 PHE 53 0.481 9.795 -10.612 400 HB3 PHE 53 HB2 PHE 53 0.307 11.467 -10.089 401 HD1 PHE 53 HD1 PHE 53 2.344 8.389 -9.744 402 HD2 PHE 53 HD2 PHE 53 1.957 12.493 -8.581 403 HE1 PHE 53 HE1 PHE 53 4.629 8.356 -8.835 404 HE2 PHE 53 HE2 PHE 53 4.248 12.444 -7.677 405 HZ PHE 53 HZ PHE 53 5.583 10.374 -7.798 406 H GLN 54 H GLN 54 -1.942 8.095 -9.639 407 HA GLN 54 HA GLN 54 -4.072 9.401 -10.974 408 HB2 GLN 54 HB3 GLN 54 -3.470 7.014 -11.324 409 HB3 GLN 54 HB2 GLN 54 -4.000 6.630 -9.696 410 HG2 GLN 54 HG3 GLN 54 -6.339 7.348 -10.428 411 HG3 GLN 54 HG2 GLN 54 -5.713 7.407 -12.077 412 HE21 GLN 54 HE21 GLN 54 -4.921 5.396 -13.007 413 HE22 GLN 54 HE22 GLN 54 -5.506 3.875 -12.438 414 H GLN 55 H GLN 55 -3.677 8.185 -7.701 415 HA GLN 55 HA GLN 55 -6.391 8.805 -6.858 416 HB2 GLN 55 HB3 GLN 55 -5.000 6.747 -6.155 417 HB3 GLN 55 HB2 GLN 55 -4.063 7.839 -5.139 418 HG2 GLN 55 HG3 GLN 55 -5.732 6.703 -3.792 419 HG3 GLN 55 HG2 GLN 55 -6.131 8.419 -3.889 420 HE21 GLN 55 HE21 GLN 55 -8.323 8.126 -3.441 421 HE22 GLN 55 HE22 GLN 55 -9.413 7.363 -4.542 422 H GLY 56 H GLY 56 -3.799 10.745 -7.396 423 HA2 GLY 56 HA3 GLY 56 -3.845 13.062 -7.018 424 HA3 GLY 56 HA2 GLY 56 -4.846 12.824 -5.596 425 H GLY 57 H GLY 57 -2.307 10.630 -5.526 426 HA2 GLY 57 HA3 GLY 57 -0.926 11.873 -3.375 427 HA3 GLY 57 HA2 GLY 57 -0.406 10.449 -4.266 428 H ASP 58 H ASP 58 0.823 13.191 -3.350 429 HA ASP 58 HA ASP 58 1.859 14.180 -5.947 430 HB2 ASP 58 HB3 ASP 58 0.738 15.811 -4.405 431 HB3 ASP 58 HB2 ASP 58 1.950 15.472 -3.176 432 H SER 59 H SER 59 4.156 14.831 -6.002 433 HA SER 59 HA SER 59 6.009 12.859 -5.457 434 HB2 SER 59 HB3 SER 59 7.704 14.640 -6.005 435 HB3 SER 59 HB2 SER 59 6.359 14.590 -7.143 436 HG SER 59 HG SER 59 5.426 16.283 -5.659 437 H LEU 60 H LEU 60 5.066 15.574 -3.399 438 HA LEU 60 HA LEU 60 7.151 15.515 -1.488 439 HB2 LEU 60 HB3 LEU 60 5.203 17.260 -1.965 440 HB3 LEU 60 HB2 LEU 60 4.280 16.304 -0.836 441 HG LEU 60 HG LEU 60 5.181 18.281 0.265 442 HD11 LEU 60 HD11 LEU 60 6.311 17.340 2.203 443 HD12 LEU 60 HD12 LEU 60 6.666 15.859 1.310 444 HD13 LEU 60 HD13 LEU 60 4.995 16.291 1.672 445 HD21 LEU 60 HD21 LEU 60 7.078 18.701 -1.210 446 HD22 LEU 60 HD22 LEU 60 7.949 17.328 -0.521 447 HD23 LEU 60 HD23 LEU 60 7.573 18.733 0.481 448 H LEU 61 H LEU 61 3.875 14.176 -1.450 449 HA LEU 61 HA LEU 61 4.001 12.616 0.888 450 HB2 LEU 61 HB3 LEU 61 2.021 13.427 -0.749 451 HB3 LEU 61 HB2 LEU 61 2.246 11.843 -1.459 452 HG LEU 61 HG LEU 61 1.543 12.348 1.463 453 HD11 LEU 61 HD11 LEU 61 -0.735 11.612 0.878 454 HD12 LEU 61 HD12 LEU 61 -0.282 11.563 -0.828 455 HD13 LEU 61 HD13 LEU 61 -0.277 13.096 0.047 456 HD21 LEU 61 HD21 LEU 61 2.683 10.207 1.159 457 HD22 LEU 61 HD22 LEU 61 1.538 9.750 -0.102 458 HD23 LEU 61 HD23 LEU 61 0.985 9.958 1.561 459 H ALA 62 H ALA 62 4.967 12.040 -2.420 460 HA ALA 62 HA ALA 62 5.263 9.207 -2.346 461 HB1 ALA 62 HB1 ALA 62 4.865 10.473 -4.406 462 HB2 ALA 62 HB2 ALA 62 6.347 9.529 -4.525 463 HB3 ALA 62 HB3 ALA 62 6.429 11.269 -4.243 464 H THR 63 H THR 63 7.402 11.915 -1.633 465 HA THR 63 HA THR 63 9.864 10.519 -1.411 466 HB THR 63 HB THR 63 8.887 13.064 -0.021 467 HG1 THR 63 HG1 THR 63 9.171 12.869 -2.445 468 HG21 THR 63 HG21 THR 63 11.269 13.614 0.367 469 HG22 THR 63 HG22 THR 63 11.749 12.049 -0.288 470 HG23 THR 63 HG23 THR 63 10.835 12.130 1.219 471 H ARG 64 H ARG 64 7.188 11.089 0.820 472 HA ARG 64 HA ARG 64 8.391 9.826 3.110 473 HB2 ARG 64 HB3 ARG 64 5.486 10.573 2.552 474 HB3 ARG 64 HB2 ARG 64 6.142 10.116 4.126 475 HG2 ARG 64 HG3 ARG 64 7.592 12.110 4.117 476 HG3 ARG 64 HG2 ARG 64 6.978 12.559 2.524 477 HD2 ARG 64 HD3 ARG 64 4.728 12.844 3.454 478 HD3 ARG 64 HD2 ARG 64 5.310 12.352 5.050 479 HE ARG 64 HE ARG 64 6.914 14.457 4.351 480 HH11 ARG 64 HH11 ARG 64 3.435 14.044 4.701 481 HH12 ARG 64 HH12 ARG 64 3.171 15.699 5.146 482 HH21 ARG 64 HH21 ARG 64 6.539 16.644 4.917 483 HH22 ARG 64 HH22 ARG 64 4.921 17.166 5.268 484 H LEU 65 H LEU 65 6.292 8.841 0.462 485 HA LEU 65 HA LEU 65 5.371 6.367 1.517 486 HB2 LEU 65 HB3 LEU 65 4.307 7.685 -0.370 487 HB3 LEU 65 HB2 LEU 65 5.621 7.192 -1.413 488 HG LEU 65 HG LEU 65 3.403 5.935 -1.673 489 HD11 LEU 65 HD11 LEU 65 4.389 3.763 -2.112 490 HD12 LEU 65 HD12 LEU 65 5.811 4.178 -1.151 491 HD13 LEU 65 HD13 LEU 65 5.471 5.050 -2.646 492 HD21 LEU 65 HD21 LEU 65 2.872 4.145 -0.089 493 HD22 LEU 65 HD22 LEU 65 2.848 5.715 0.708 494 HD23 LEU 65 HD23 LEU 65 4.221 4.629 0.944 495 H THR 66 H THR 66 8.024 7.223 -0.712 496 HA THR 66 HA THR 66 9.158 4.675 -1.012 497 HB THR 66 HB THR 66 11.343 6.010 -1.429 498 HG1 THR 66 HG1 THR 66 9.846 8.331 -1.675 499 HG21 THR 66 HG21 THR 66 8.894 6.750 -3.060 500 HG22 THR 66 HG22 THR 66 9.888 5.307 -3.283 501 HG23 THR 66 HG23 THR 66 10.569 6.906 -3.590 502 H GLY 67 H GLY 67 9.653 7.199 1.425 503 HA2 GLY 67 HA3 GLY 67 11.634 6.033 3.008 504 HA3 GLY 67 HA2 GLY 67 10.414 7.158 3.576 505 H GLN 68 H GLN 68 8.135 5.469 3.009 506 HA GLN 68 HA GLN 68 7.945 3.852 5.328 507 HB2 GLN 68 HB3 GLN 68 6.249 3.768 2.797 508 HB3 GLN 68 HB2 GLN 68 5.821 2.999 4.320 509 HG2 GLN 68 HG3 GLN 68 6.170 5.979 3.931 510 HG3 GLN 68 HG2 GLN 68 4.627 5.137 3.895 511 HE21 GLN 68 HE21 GLN 68 5.493 7.266 5.674 512 HE22 GLN 68 HE22 GLN 68 5.382 6.649 7.282 513 H LEU 69 H LEU 69 8.775 3.175 1.990 514 HA LEU 69 HA LEU 69 8.890 0.317 2.253 515 HB2 LEU 69 HB3 LEU 69 9.831 2.245 0.103 516 HB3 LEU 69 HB2 LEU 69 10.001 0.501 -0.044 517 HG LEU 69 HG LEU 69 7.292 1.820 0.390 518 HD11 LEU 69 HD11 LEU 69 8.552 1.130 -2.274 519 HD12 LEU 69 HD12 LEU 69 8.228 2.751 -1.659 520 HD13 LEU 69 HD13 LEU 69 6.888 1.664 -2.019 521 HD21 LEU 69 HD21 LEU 69 8.067 -0.923 -0.660 522 HD22 LEU 69 HD22 LEU 69 6.421 -0.303 -0.503 523 HD23 LEU 69 HD23 LEU 69 7.400 -0.562 0.938 524 H HIS 70 H HIS 70 11.257 2.979 2.458 525 HA HIS 70 HA HIS 70 13.642 1.472 2.488 526 HB2 HIS 70 HB3 HIS 70 12.930 4.172 3.678 527 HB3 HIS 70 HB2 HIS 70 14.512 3.472 3.986 528 HD1 HIS 70 HD1 HIS 70 16.212 3.474 2.098 529 HD2 HIS 70 HD2 HIS 70 12.555 5.078 1.011 530 HE1 HIS 70 HE1 HIS 70 16.589 4.600 -0.105 531 HE2 HIS 70 HE2 HIS 70 14.403 5.679 -0.661 532 H GLN 71 H GLN 71 11.571 2.538 5.180 533 HA GLN 71 HA GLN 71 13.066 1.187 7.229 534 HB2 GLN 71 HB3 GLN 71 11.171 1.821 8.716 535 HB3 GLN 71 HB2 GLN 71 11.768 3.183 7.773 536 HG2 GLN 71 HG3 GLN 71 9.891 2.912 6.198 537 HG3 GLN 71 HG2 GLN 71 9.276 1.579 7.159 538 HE21 GLN 71 HE21 GLN 71 9.669 5.029 6.957 539 HE22 GLN 71 HE22 GLN 71 8.612 5.429 8.266 540 H ALA 72 H ALA 72 10.581 0.203 4.990 541 HA ALA 72 HA ALA 72 9.850 -2.231 6.362 542 HB1 ALA 72 HB1 ALA 72 9.465 -1.468 3.437 543 HB2 ALA 72 HB2 ALA 72 8.313 -1.190 4.743 544 HB3 ALA 72 HB3 ALA 72 8.707 -2.839 4.263 545 H GLY 73 H GLY 73 12.440 -1.233 4.242 546 HA2 GLY 73 HA3 GLY 73 14.514 -2.461 4.238 547 HA3 GLY 73 HA2 GLY 73 13.621 -3.972 4.328 548 H TYR 74 H TYR 74 12.607 -1.436 2.190 549 HA TYR 74 HA TYR 74 13.791 -2.742 -0.186 550 HB2 TYR 74 HB3 TYR 74 11.104 -1.270 -0.147 551 HB3 TYR 74 HB2 TYR 74 11.786 -2.215 -1.475 552 HD1 TYR 74 HD1 TYR 74 12.040 -4.742 -1.189 553 HD2 TYR 74 HD2 TYR 74 9.845 -2.330 1.570 554 HE1 TYR 74 HE1 TYR 74 10.983 -6.755 -0.257 555 HE2 TYR 74 HE2 TYR 74 8.792 -4.339 2.491 556 HH TYR 74 HH TYR 74 8.265 -6.669 1.677 557 H GLU 75 H GLU 75 15.151 -1.424 -1.252 558 HA GLU 75 HA GLU 75 15.362 1.370 -0.665 559 HB2 GLU 75 HB3 GLU 75 17.239 -0.303 -1.421 560 HB3 GLU 75 HB2 GLU 75 16.678 0.023 -3.050 561 HG2 GLU 75 HG3 GLU 75 17.783 2.056 -1.090 562 HG3 GLU 75 HG2 GLU 75 18.627 1.400 -2.482 563 H ALA 76 H ALA 76 14.106 2.883 -1.507 564 HA ALA 76 HA ALA 76 12.683 2.528 -4.057 565 HB1 ALA 76 HB1 ALA 76 11.393 3.340 -1.428 566 HB2 ALA 76 HB2 ALA 76 11.165 1.804 -2.267 567 HB3 ALA 76 HB3 ALA 76 10.594 3.303 -3.005 568 H GLN 77 H GLN 77 12.917 4.277 -5.277 569 HA GLN 77 HA GLN 77 13.470 6.911 -4.028 570 HB2 GLN 77 HB3 GLN 77 14.645 5.715 -6.578 571 HB3 GLN 77 HB2 GLN 77 14.776 7.419 -6.157 572 HG2 GLN 77 HG3 GLN 77 15.857 5.142 -4.469 573 HG3 GLN 77 HG2 GLN 77 16.818 6.124 -5.577 574 HE21 GLN 77 HE21 GLN 77 17.042 5.784 -2.638 575 HE22 GLN 77 HE22 GLN 77 16.947 7.374 -1.980 576 H LEU 78 H LEU 78 12.499 8.701 -4.900 577 HA LEU 78 HA LEU 78 9.925 8.519 -5.989 578 HB2 LEU 78 HB3 LEU 78 10.623 10.474 -4.714 579 HB3 LEU 78 HB2 LEU 78 11.889 10.840 -5.874 580 HG LEU 78 HG LEU 78 10.161 11.417 -7.582 581 HD11 LEU 78 HD11 LEU 78 8.120 10.959 -5.400 582 HD12 LEU 78 HD12 LEU 78 8.334 9.992 -6.861 583 HD13 LEU 78 HD13 LEU 78 7.807 11.668 -6.987 584 HD21 LEU 78 HD21 LEU 78 11.106 13.202 -6.214 585 HD22 LEU 78 HD22 LEU 78 9.854 12.964 -4.992 586 HD23 LEU 78 HD23 LEU 78 9.420 13.538 -6.604 587 H SER 79 H SER 79 13.074 8.832 -7.493 588 HA SER 79 HA SER 79 12.587 9.557 -10.084 589 HB2 SER 79 HB3 SER 79 14.842 9.095 -9.130 590 HB3 SER 79 HB2 SER 79 14.503 7.367 -9.170 591 HG SER 79 HG SER 79 15.303 7.475 -11.110 592 H ASP 80 H ASP 80 12.162 6.331 -8.635 593 HA ASP 80 HA ASP 80 11.052 5.244 -11.101 594 HB2 ASP 80 HB3 ASP 80 11.936 3.974 -8.513 595 HB3 ASP 80 HB2 ASP 80 10.908 3.078 -9.628 596 H LEU 81 H LEU 81 9.756 6.701 -8.242 597 HA LEU 81 HA LEU 81 7.261 5.319 -8.296 598 HB2 LEU 81 HB3 LEU 81 8.423 7.378 -6.639 599 HB3 LEU 81 HB2 LEU 81 6.857 7.967 -7.167 600 HG LEU 81 HG LEU 81 7.358 5.321 -5.764 601 HD11 LEU 81 HD11 LEU 81 7.669 7.256 -4.287 602 HD12 LEU 81 HD12 LEU 81 6.295 6.259 -3.818 603 HD13 LEU 81 HD13 LEU 81 6.029 7.790 -4.656 604 HD21 LEU 81 HD21 LEU 81 5.432 5.133 -7.270 605 HD22 LEU 81 HD22 LEU 81 4.705 6.578 -6.560 606 HD23 LEU 81 HD23 LEU 81 4.905 5.117 -5.588 607 H PHE 82 H PHE 82 8.362 8.353 -9.875 608 HA PHE 82 HA PHE 82 5.780 8.624 -11.220 609 HB2 PHE 82 HB3 PHE 82 6.709 10.605 -12.339 610 HB3 PHE 82 HB2 PHE 82 6.906 10.694 -10.602 611 HD1 PHE 82 HD1 PHE 82 9.032 11.227 -9.689 612 HD2 PHE 82 HD2 PHE 82 8.800 9.918 -13.759 613 HE1 PHE 82 HE1 PHE 82 11.395 11.832 -10.032 614 HE2 PHE 82 HE2 PHE 82 11.161 10.514 -14.078 615 HZ PHE 82 HZ PHE 82 12.460 11.475 -12.225 616 H ASN 83 H ASN 83 8.928 7.254 -11.885 617 HA ASN 83 HA ASN 83 8.588 6.829 -14.697 618 HB2 ASN 83 HB3 ASN 83 10.805 6.810 -13.609 619 HB3 ASN 83 HB2 ASN 83 10.357 5.383 -12.686 620 HD21 ASN 83 HD21 ASN 83 12.008 4.106 -13.490 621 HD22 ASN 83 HD22 ASN 83 12.055 3.561 -15.128 622 H HIS 84 H HIS 84 7.650 5.093 -11.835 623 HA HIS 84 HA HIS 84 6.033 3.180 -13.395 624 HB2 HIS 84 HB3 HIS 84 7.620 2.387 -10.898 625 HB3 HIS 84 HB2 HIS 84 6.630 1.330 -11.902 626 HD1 HIS 84 HD1 HIS 84 7.605 0.809 -14.334 627 HD2 HIS 84 HD2 HIS 84 10.244 2.653 -11.718 628 HE1 HIS 84 HE1 HIS 84 9.865 0.592 -15.397 629 HE2 HIS 84 HE2 HIS 84 11.453 1.588 -13.719 630 HA PRO 85 HA PRO 85 3.641 5.448 -10.140 631 HB2 PRO 85 HB3 PRO 85 1.520 5.875 -12.115 632 HB3 PRO 85 HB2 PRO 85 2.566 7.077 -11.342 633 HG2 PRO 85 HG3 PRO 85 2.702 6.464 -14.009 634 HG3 PRO 85 HG2 PRO 85 4.080 7.086 -13.070 635 HD2 PRO 85 HD3 PRO 85 3.458 4.241 -13.851 636 HD3 PRO 85 HD2 PRO 85 5.016 5.107 -13.873 637 H ARG 86 H ARG 86 2.449 3.092 -12.527 638 HA ARG 86 HA ARG 86 0.237 2.023 -11.248 639 HB2 ARG 86 HB3 ARG 86 1.883 1.324 -13.506 640 HB3 ARG 86 HB2 ARG 86 1.769 -0.128 -12.530 641 HG2 ARG 86 HG3 ARG 86 0.042 -0.209 -14.170 642 HG3 ARG 86 HG2 ARG 86 -0.732 0.097 -12.613 643 HD2 ARG 86 HD3 ARG 86 -0.828 2.534 -13.205 644 HD3 ARG 86 HD2 ARG 86 -0.139 2.137 -14.781 645 HE ARG 86 HE ARG 86 -2.757 1.171 -13.822 646 HH11 ARG 86 HH11 ARG 86 -0.763 2.421 -16.437 647 HH12 ARG 86 HH12 ARG 86 -2.041 2.316 -17.607 648 HH21 ARG 86 HH21 ARG 86 -4.396 0.986 -15.347 649 HH22 ARG 86 HH22 ARG 86 -4.106 1.495 -16.979 650 H LEU 87 H LEU 87 -0.088 0.545 -9.618 651 HA LEU 87 HA LEU 87 1.725 0.483 -7.508 652 HB2 LEU 87 HB3 LEU 87 -0.800 0.261 -7.477 653 HB3 LEU 87 HB2 LEU 87 -0.604 -1.428 -7.894 654 HG LEU 87 HG LEU 87 0.663 -0.276 -5.372 655 HD11 LEU 87 HD11 LEU 87 -1.710 0.290 -5.276 656 HD12 LEU 87 HD12 LEU 87 -1.300 -0.945 -4.098 657 HD13 LEU 87 HD13 LEU 87 -2.150 -1.393 -5.579 658 HD21 LEU 87 HD21 LEU 87 1.450 -2.507 -6.012 659 HD22 LEU 87 HD22 LEU 87 -0.209 -3.105 -6.059 660 HD23 LEU 87 HD23 LEU 87 0.501 -2.586 -4.528 661 H ALA 88 H ALA 88 0.745 -2.256 -9.597 662 HA ALA 88 HA ALA 88 2.500 -4.152 -8.436 663 HB1 ALA 88 HB1 ALA 88 1.967 -5.560 -10.396 664 HB2 ALA 88 HB2 ALA 88 1.231 -4.167 -11.196 665 HB3 ALA 88 HB3 ALA 88 0.518 -4.817 -9.718 666 H ASP 89 H ASP 89 2.830 -1.934 -11.135 667 HA ASP 89 HA ASP 89 5.202 -3.024 -12.269 668 HB2 ASP 89 HB3 ASP 89 3.605 -1.697 -13.572 669 HB3 ASP 89 HB2 ASP 89 3.911 -0.283 -12.571 670 H PHE 90 H PHE 90 4.581 -0.515 -9.860 671 HA PHE 90 HA PHE 90 7.314 0.352 -9.592 672 HB2 PHE 90 HB3 PHE 90 5.465 1.873 -8.993 673 HB3 PHE 90 HB2 PHE 90 4.911 0.759 -7.749 674 HD1 PHE 90 HD1 PHE 90 5.394 1.526 -5.575 675 HD2 PHE 90 HD2 PHE 90 8.219 2.326 -8.697 676 HE1 PHE 90 HE1 PHE 90 6.893 2.609 -3.958 677 HE2 PHE 90 HE2 PHE 90 9.708 3.410 -7.062 678 HZ PHE 90 HZ PHE 90 9.049 3.548 -4.691 679 H ALA 91 H ALA 91 5.156 -1.865 -7.876 680 HA ALA 91 HA ALA 91 6.852 -2.570 -5.734 681 HB1 ALA 91 HB1 ALA 91 4.586 -4.155 -6.994 682 HB2 ALA 91 HB2 ALA 91 4.424 -2.953 -5.712 683 HB3 ALA 91 HB3 ALA 91 5.298 -4.452 -5.403 684 H ALA 92 H ALA 92 6.648 -3.669 -9.048 685 HA ALA 92 HA ALA 92 8.309 -5.986 -8.869 686 HB1 ALA 92 HB1 ALA 92 6.772 -5.609 -10.752 687 HB2 ALA 92 HB2 ALA 92 8.425 -5.817 -11.331 688 HB3 ALA 92 HB3 ALA 92 7.708 -4.202 -11.257 689 H THR 93 H THR 93 8.918 -2.535 -9.439 690 HA THR 93 HA THR 93 11.756 -2.943 -10.000 691 HB THR 93 HB THR 93 11.780 -0.462 -10.419 692 HG1 THR 93 HG1 THR 93 9.763 -0.225 -8.977 693 HG21 THR 93 HG21 THR 93 9.606 -1.989 -11.906 694 HG22 THR 93 HG22 THR 93 11.331 -2.030 -12.283 695 HG23 THR 93 HG23 THR 93 10.424 -0.533 -12.484 696 H LEU 94 H LEU 94 10.087 -2.877 -7.183 697 HA LEU 94 HA LEU 94 11.906 -1.325 -5.576 698 HB2 LEU 94 HB3 LEU 94 9.920 -3.488 -4.818 699 HB3 LEU 94 HB2 LEU 94 10.893 -2.616 -3.640 700 HG LEU 94 HG LEU 94 8.751 -1.440 -5.449 701 HD11 LEU 94 HD11 LEU 94 7.566 -0.980 -3.364 702 HD12 LEU 94 HD12 LEU 94 8.847 -1.767 -2.439 703 HD13 LEU 94 HD13 LEU 94 7.864 -2.705 -3.568 704 HD21 LEU 94 HD21 LEU 94 10.565 0.173 -5.242 705 HD22 LEU 94 HD22 LEU 94 10.566 0.004 -3.486 706 HD23 LEU 94 HD23 LEU 94 9.171 0.707 -4.309 707 H ARG 95 H ARG 95 13.890 -1.872 -5.050 708 HA ARG 95 HA ARG 95 14.864 -4.637 -5.355 709 HB2 ARG 95 HB3 ARG 95 16.465 -2.097 -4.788 710 HB3 ARG 95 HB2 ARG 95 17.100 -3.667 -5.282 711 HG2 ARG 95 HG3 ARG 95 16.001 -3.436 -7.478 712 HG3 ARG 95 HG2 ARG 95 15.325 -1.884 -6.980 713 HD2 ARG 95 HD3 ARG 95 17.744 -1.104 -6.642 714 HD3 ARG 95 HD2 ARG 95 18.228 -2.573 -7.493 715 HE ARG 95 HE ARG 95 17.027 -1.762 -9.445 716 HH11 ARG 95 HH11 ARG 95 17.620 0.646 -6.946 717 HH12 ARG 95 HH12 ARG 95 17.448 1.991 -8.027 718 HH21 ARG 95 HH21 ARG 95 16.775 0.020 -10.842 719 HH22 ARG 95 HH22 ARG 95 16.969 1.630 -10.233 720 H LYS 96 H LYS 96 15.384 -5.851 -3.603 721 HA LYS 96 HA LYS 96 14.594 -5.135 -0.976 722 HB2 LYS 96 HB3 LYS 96 14.805 -7.507 -1.948 723 HB3 LYS 96 HB2 LYS 96 16.546 -7.361 -1.746 724 HG2 LYS 96 HG3 LYS 96 15.690 -8.608 0.117 725 HG3 LYS 96 HG2 LYS 96 16.157 -7.016 0.725 726 HD2 LYS 96 HD3 LYS 96 13.799 -6.293 0.670 727 HD3 LYS 96 HD2 LYS 96 13.322 -7.855 0.000 728 HE2 LYS 96 HE3 LYS 96 14.133 -8.948 2.092 729 HE3 LYS 96 HE2 LYS 96 14.493 -7.350 2.751 730 HZ1 LYS 96 HZ1 LYS 96 12.145 -6.780 2.506 731 HZ2 LYS 96 HZ2 LYS 96 12.348 -8.125 3.506 732 HZ3 LYS 96 HZ3 LYS 96 11.812 -8.325 1.920 733 H THR 97 H THR 97 15.670 -3.713 0.339 734 HA THR 97 HA THR 97 18.249 -2.689 -0.103 735 HB THR 97 HB THR 97 16.742 -2.751 2.554 736 HG1 THR 97 HG1 THR 97 15.958 -0.699 1.833 737 HG21 THR 97 HG21 THR 97 19.091 -2.018 2.809 738 HG22 THR 97 HG22 THR 97 17.976 -0.673 3.061 739 HG23 THR 97 HG23 THR 97 18.857 -0.812 1.539 740 H ASP 98 H ASP 98 20.242 -3.252 0.663 741 HA ASP 98 HA ASP 98 20.840 -5.828 1.604 742 HB2 ASP 98 HB3 ASP 98 22.440 -4.258 0.428 743 HB3 ASP 98 HB2 ASP 98 22.547 -3.316 1.910 744 H VAL 99 H VAL 99 21.070 -6.643 3.666 745 HA VAL 99 HA VAL 99 19.677 -5.443 5.802 746 HB VAL 99 HB VAL 99 20.642 -7.312 7.226 747 HG11 VAL 99 HG11 VAL 99 18.504 -7.591 6.056 748 HG12 VAL 99 HG12 VAL 99 19.391 -9.114 6.096 749 HG13 VAL 99 HG13 VAL 99 19.344 -8.162 4.611 750 HG21 VAL 99 HG21 VAL 99 22.818 -7.605 6.101 751 HG22 VAL 99 HG22 VAL 99 22.006 -8.179 4.642 752 HG23 VAL 99 HG23 VAL 99 21.923 -9.125 6.131 753 HA PRO 100 HA PRO 100 22.987 -2.610 7.021 754 HB2 PRO 100 HB3 PRO 100 21.721 -1.359 9.104 755 HB3 PRO 100 HB2 PRO 100 21.265 -1.072 7.412 756 HG2 PRO 100 HG3 PRO 100 19.964 -2.895 9.417 757 HG3 PRO 100 HG2 PRO 100 19.207 -1.736 8.299 758 HD2 PRO 100 HD3 PRO 100 19.326 -4.391 7.743 759 HD3 PRO 100 HD2 PRO 100 19.409 -3.161 6.462 760 H VAL 101 H VAL 101 21.744 -5.168 8.880 761 HA VAL 101 HA VAL 101 23.361 -4.952 11.233 762 HB VAL 101 HB VAL 101 22.647 -7.277 11.693 763 HG11 VAL 101 HG11 VAL 101 20.378 -5.508 10.717 764 HG12 VAL 101 HG12 VAL 101 21.132 -5.466 12.313 765 HG13 VAL 101 HG13 VAL 101 20.204 -6.881 11.816 766 HG21 VAL 101 HG21 VAL 101 21.154 -8.499 10.133 767 HG22 VAL 101 HG22 VAL 101 22.742 -8.219 9.423 768 HG23 VAL 101 HG23 VAL 101 21.369 -7.226 8.928 769 H GLU 102 H GLU 102 24.958 -6.684 11.821 770 HA GLU 102 HA GLU 102 27.078 -6.904 9.913 771 HB2 GLU 102 HB3 GLU 102 26.709 -8.289 12.610 772 HB3 GLU 102 HB2 GLU 102 28.205 -8.261 11.688 773 HG2 GLU 102 HG3 GLU 102 26.829 -5.798 12.795 774 HG3 GLU 102 HG2 GLU 102 28.144 -6.650 13.596 775 H GLN 103 H GLN 103 27.100 -8.322 8.283 776 HA GLN 103 HA GLN 103 25.328 -10.563 8.034 777 HB2 GLN 103 HB3 GLN 103 27.733 -9.736 6.333 778 HB3 GLN 103 HB2 GLN 103 26.581 -10.988 5.900 779 HG2 GLN 103 HG3 GLN 103 25.973 -9.104 4.619 780 HG3 GLN 103 HG2 GLN 103 24.783 -9.191 5.917 781 HE21 GLN 103 HE21 GLN 103 24.314 -6.971 5.485 782 HE22 GLN 103 HE22 GLN 103 25.337 -5.723 6.089 783 HA PRO 104 HA PRO 104 27.878 -13.984 9.666 784 HB2 PRO 104 HB3 PRO 104 27.682 -15.823 7.525 785 HB3 PRO 104 HB2 PRO 104 26.504 -15.650 8.837 786 HG2 PRO 104 HG3 PRO 104 26.422 -14.504 6.073 787 HG3 PRO 104 HG2 PRO 104 25.101 -15.197 7.044 788 HD2 PRO 104 HD3 PRO 104 25.354 -12.543 6.774 789 HD3 PRO 104 HD2 PRO 104 24.845 -13.247 8.326 790 H PHE 105 H PHE 105 30.061 -14.338 9.661 791 HA PHE 105 HA PHE 105 31.760 -12.807 7.995 792 HB2 PHE 105 HB3 PHE 105 32.511 -15.103 9.859 793 HB3 PHE 105 HB2 PHE 105 33.630 -13.918 9.195 794 HD1 PHE 105 HD1 PHE 105 33.631 -11.587 10.013 795 HD2 PHE 105 HD2 PHE 105 31.044 -14.532 11.732 796 HE1 PHE 105 HE1 PHE 105 33.252 -10.135 11.958 797 HE2 PHE 105 HE2 PHE 105 30.671 -13.067 13.676 798 HZ PHE 105 HZ PHE 105 31.774 -10.868 13.788 799 H VAL 106 H VAL 106 31.026 -16.254 8.100 800 HA VAL 106 HA VAL 106 32.073 -16.626 5.375 801 HB VAL 106 HB VAL 106 32.960 -18.953 6.181 802 HG11 VAL 106 HG11 VAL 106 35.174 -18.036 6.748 803 HG12 VAL 106 HG12 VAL 106 34.460 -16.445 7.019 804 HG13 VAL 106 HG13 VAL 106 34.446 -17.154 5.403 805 HG21 VAL 106 HG21 VAL 106 32.961 -17.521 8.872 806 HG22 VAL 106 HG22 VAL 106 33.720 -19.081 8.536 807 HG23 VAL 106 HG23 VAL 106 31.966 -18.914 8.448 808 H HIS 107 H HIS 107 29.849 -16.554 4.744 809 HA HIS 107 HA HIS 107 28.152 -18.802 5.601 810 HB2 HIS 107 HB3 HIS 107 26.278 -17.687 4.649 811 HB3 HIS 107 HB2 HIS 107 27.226 -16.405 5.385 812 HD1 HIS 107 HD1 HIS 107 28.378 -14.718 3.741 813 HD2 HIS 107 HD2 HIS 107 25.841 -17.456 1.916 814 HE1 HIS 107 HE1 HIS 107 27.975 -13.830 1.434 815 HE2 HIS 107 HE2 HIS 107 26.293 -15.396 0.432 816 H SER 108 H SER 108 27.936 -20.572 4.408 817 HA SER 108 HA SER 108 28.981 -20.691 1.636 818 HB2 SER 108 HB3 SER 108 29.677 -23.074 2.235 819 HB3 SER 108 HB2 SER 108 30.595 -21.814 3.058 820 HG SER 108 HG SER 108 28.320 -22.967 4.268 821 HA PRO 109 HA PRO 109 24.508 -21.834 1.325 822 HB2 PRO 109 HB3 PRO 109 25.160 -21.549 -1.597 823 HB3 PRO 109 HB2 PRO 109 23.832 -20.825 -0.662 824 HG2 PRO 109 HG3 PRO 109 25.883 -19.324 -1.444 825 HG3 PRO 109 HG2 PRO 109 25.169 -19.094 0.170 826 HD2 PRO 109 HD3 PRO 109 27.710 -20.549 -0.577 827 HD3 PRO 109 HD2 PRO 109 27.402 -19.430 0.774 828 H GLU 110 H GLU 110 24.942 -23.916 2.077 829 HA GLU 110 HA GLU 110 26.160 -25.995 0.560 830 HB2 GLU 110 HB3 GLU 110 26.011 -25.964 3.068 831 HB3 GLU 110 HB2 GLU 110 24.272 -26.191 2.950 832 HG2 GLU 110 HG3 GLU 110 25.291 -28.305 3.499 833 HG3 GLU 110 HG2 GLU 110 24.671 -28.395 1.854 834 H ASP 111 H ASP 111 25.185 -26.147 -1.440 835 HA ASP 111 HA ASP 111 22.278 -26.191 -1.706 836 HB2 ASP 111 HB3 ASP 111 23.670 -24.727 -3.170 837 HB3 ASP 111 HB2 ASP 111 24.450 -26.152 -3.849 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -29.864 -7.673 6.912 2 H2 GLY 1 H2 GLY 1 -29.650 -8.714 5.602 3 H3 GLY 1 H3 GLY 1 -30.026 -9.340 7.125 4 HA2 GLY 1 HA2 GLY 1 -31.978 -9.380 5.729 5 HA3 GLY 1 HA3 GLY 1 -32.189 -8.259 7.069 6 H THR 2 H THR 2 -31.331 -8.495 3.648 7 HA THR 2 HA THR 2 -32.647 -5.944 3.047 8 HB THR 2 HB THR 2 -30.645 -5.380 1.477 9 HG1 THR 2 HG1 THR 2 -29.626 -7.476 1.816 10 HG21 THR 2 HG21 THR 2 -31.054 -4.011 3.490 11 HG22 THR 2 HG22 THR 2 -29.325 -4.238 3.219 12 HG23 THR 2 HG23 THR 2 -30.148 -5.171 4.468 13 H ILE 3 H ILE 3 -34.076 -6.438 1.452 14 HA ILE 3 HA ILE 3 -33.534 -8.683 -0.410 15 HB ILE 3 HB ILE 3 -36.276 -7.389 0.026 16 HG12 ILE 3 HG13 ILE 3 -36.728 -9.530 1.516 17 HG13 ILE 3 HG12 ILE 3 -34.984 -9.574 1.719 18 HG21 ILE 3 HG21 ILE 3 -35.518 -10.151 -1.022 19 HG22 ILE 3 HG22 ILE 3 -36.075 -8.790 -1.997 20 HG23 ILE 3 HG23 ILE 3 -37.163 -9.540 -0.830 21 HD11 ILE 3 HD11 ILE 3 -36.097 -8.499 3.601 22 HD12 ILE 3 HD12 ILE 3 -36.805 -7.302 2.519 23 HD13 ILE 3 HD13 ILE 3 -35.057 -7.353 2.755 24 H ASP 4 H ASP 4 -32.467 -5.897 -0.601 25 HA ASP 4 HA ASP 4 -33.765 -4.469 -2.700 26 HB2 ASP 4 HB3 ASP 4 -30.835 -4.298 -1.834 27 HB3 ASP 4 HB2 ASP 4 -31.684 -3.120 -2.824 28 H TYR 5 H TYR 5 -33.978 -5.321 -4.697 29 HA TYR 5 HA TYR 5 -32.421 -7.484 -5.704 30 HB2 TYR 5 HB3 TYR 5 -34.326 -5.650 -7.230 31 HB3 TYR 5 HB2 TYR 5 -33.765 -7.236 -7.758 32 HD1 TYR 5 HD1 TYR 5 -36.122 -5.441 -5.593 33 HD2 TYR 5 HD2 TYR 5 -34.584 -9.308 -6.595 34 HE1 TYR 5 HE1 TYR 5 -38.029 -6.496 -4.451 35 HE2 TYR 5 HE2 TYR 5 -36.492 -10.354 -5.453 36 HH TYR 5 HH TYR 5 -39.265 -8.680 -4.572 37 H GLN 6 H GLN 6 -32.099 -4.050 -5.926 38 HA GLN 6 HA GLN 6 -30.417 -3.900 -8.246 39 HB2 GLN 6 HB3 GLN 6 -30.938 -1.936 -5.979 40 HB3 GLN 6 HB2 GLN 6 -30.055 -1.546 -7.452 41 HG2 GLN 6 HG3 GLN 6 -32.046 -1.862 -8.805 42 HG3 GLN 6 HG2 GLN 6 -32.954 -2.455 -7.419 43 HE21 GLN 6 HE21 GLN 6 -31.566 0.382 -8.928 44 HE22 GLN 6 HE22 GLN 6 -32.447 1.541 -7.999 45 H ALA 7 H ALA 7 -29.822 -3.707 -4.727 46 HA ALA 7 HA ALA 7 -26.943 -3.504 -5.041 47 HB1 ALA 7 HB1 ALA 7 -28.105 -2.259 -3.260 48 HB2 ALA 7 HB2 ALA 7 -26.936 -3.385 -2.571 49 HB3 ALA 7 HB3 ALA 7 -28.658 -3.772 -2.542 50 H LEU 8 H LEU 8 -29.178 -5.819 -3.514 51 HA LEU 8 HA LEU 8 -27.135 -7.888 -3.299 52 HB2 LEU 8 HB3 LEU 8 -30.092 -7.890 -2.518 53 HB3 LEU 8 HB2 LEU 8 -28.998 -9.235 -2.256 54 HG LEU 8 HG LEU 8 -29.299 -8.089 -0.157 55 HD11 LEU 8 HD11 LEU 8 -27.012 -7.513 0.462 56 HD12 LEU 8 HD12 LEU 8 -26.558 -7.413 -1.241 57 HD13 LEU 8 HD13 LEU 8 -27.064 -8.956 -0.548 58 HD21 LEU 8 HD21 LEU 8 -28.408 -5.520 -1.499 59 HD22 LEU 8 HD22 LEU 8 -28.769 -5.729 0.217 60 HD23 LEU 8 HD23 LEU 8 -30.050 -5.909 -0.979 61 H LYS 9 H LYS 9 -26.664 -8.870 -5.175 62 HA LYS 9 HA LYS 9 -28.748 -10.301 -6.637 63 HB2 LYS 9 HB3 LYS 9 -28.471 -8.021 -7.734 64 HB3 LYS 9 HB2 LYS 9 -26.809 -8.452 -8.112 65 HG2 LYS 9 HG3 LYS 9 -27.590 -10.277 -9.560 66 HG3 LYS 9 HG2 LYS 9 -29.265 -9.934 -9.132 67 HD2 LYS 9 HD3 LYS 9 -27.404 -8.022 -10.607 68 HD3 LYS 9 HD2 LYS 9 -28.652 -9.011 -11.362 69 HE2 LYS 9 HE3 LYS 9 -30.374 -7.823 -10.000 70 HE3 LYS 9 HE2 LYS 9 -29.104 -6.786 -9.345 71 HZ1 LYS 9 HZ1 LYS 9 -29.821 -7.001 -12.220 72 HZ2 LYS 9 HZ2 LYS 9 -28.660 -5.967 -11.557 73 HZ3 LYS 9 HZ3 LYS 9 -30.293 -5.746 -11.189 74 H ARG 10 H ARG 10 -26.268 -10.639 -4.880 75 HA ARG 10 HA ARG 10 -24.520 -12.008 -4.540 76 HB2 ARG 10 HB3 ARG 10 -25.824 -13.649 -6.755 77 HB3 ARG 10 HB2 ARG 10 -24.536 -14.240 -5.710 78 HG2 ARG 10 HG3 ARG 10 -27.345 -13.473 -4.873 79 HG3 ARG 10 HG2 ARG 10 -26.662 -15.097 -4.938 80 HD2 ARG 10 HD3 ARG 10 -25.913 -12.859 -3.028 81 HD3 ARG 10 HD2 ARG 10 -26.703 -14.389 -2.634 82 HE ARG 10 HE ARG 10 -24.401 -15.263 -3.673 83 HH11 ARG 10 HH11 ARG 10 -25.007 -12.793 -1.238 84 HH12 ARG 10 HH12 ARG 10 -23.491 -13.046 -0.431 85 HH21 ARG 10 HH21 ARG 10 -22.408 -15.582 -2.625 86 HH22 ARG 10 HH22 ARG 10 -22.013 -14.637 -1.222 87 H ARG 11 H ARG 11 -23.915 -9.804 -6.061 88 HA ARG 11 HA ARG 11 -22.477 -10.481 -8.453 89 HB2 ARG 11 HB3 ARG 11 -23.530 -8.260 -8.204 90 HB3 ARG 11 HB2 ARG 11 -22.454 -7.875 -6.864 91 HG2 ARG 11 HG3 ARG 11 -20.509 -8.023 -8.414 92 HG3 ARG 11 HG2 ARG 11 -21.610 -8.368 -9.745 93 HD2 ARG 11 HD3 ARG 11 -22.666 -6.147 -9.421 94 HD3 ARG 11 HD2 ARG 11 -21.522 -5.805 -8.117 95 HE ARG 11 HE ARG 11 -20.521 -6.443 -10.815 96 HH11 ARG 11 HH11 ARG 11 -20.843 -4.053 -8.245 97 HH12 ARG 11 HH12 ARG 11 -19.699 -2.963 -8.970 98 HH21 ARG 11 HH21 ARG 11 -19.021 -5.012 -11.717 99 HH22 ARG 11 HH22 ARG 11 -18.674 -3.501 -10.927 100 H HIS 12 H HIS 12 -20.443 -11.034 -8.699 101 HA HIS 12 HA HIS 12 -18.363 -10.164 -6.809 102 HB2 HIS 12 HB3 HIS 12 -18.721 -12.539 -6.254 103 HB3 HIS 12 HB2 HIS 12 -18.624 -12.987 -7.954 104 HD1 HIS 12 HD1 HIS 12 -16.411 -11.748 -5.123 105 HD2 HIS 12 HD2 HIS 12 -16.041 -13.430 -8.907 106 HE1 HIS 12 HE1 HIS 12 -13.972 -12.254 -5.410 107 HE2 HIS 12 HE2 HIS 12 -13.803 -13.422 -7.629 108 H THR 13 H THR 13 -16.329 -9.835 -7.842 109 HA THR 13 HA THR 13 -16.490 -9.419 -10.769 110 HB THR 13 HB THR 13 -14.771 -7.937 -8.725 111 HG1 THR 13 HG1 THR 13 -16.851 -7.285 -8.376 112 HG21 THR 13 HG21 THR 13 -15.308 -7.337 -11.658 113 HG22 THR 13 HG22 THR 13 -13.785 -7.935 -10.996 114 HG23 THR 13 HG23 THR 13 -14.367 -6.328 -10.557 115 HA PRO 14 HA PRO 14 -12.804 -12.220 -10.743 116 HB2 PRO 14 HB3 PRO 14 -13.470 -13.675 -12.928 117 HB3 PRO 14 HB2 PRO 14 -14.154 -14.055 -11.337 118 HG2 PRO 14 HG3 PRO 14 -15.405 -12.553 -13.607 119 HG3 PRO 14 HG2 PRO 14 -16.114 -13.797 -12.554 120 HD2 PRO 14 HD3 PRO 14 -16.500 -11.088 -12.175 121 HD3 PRO 14 HD2 PRO 14 -16.593 -12.290 -10.867 122 H GLU 15 H GLU 15 -11.282 -12.491 -12.721 123 HA GLU 15 HA GLU 15 -10.744 -9.873 -13.792 124 HB2 GLU 15 HB3 GLU 15 -9.342 -12.502 -14.433 125 HB3 GLU 15 HB2 GLU 15 -8.754 -10.895 -14.838 126 HG2 GLU 15 HG3 GLU 15 -7.483 -11.520 -12.963 127 HG3 GLU 15 HG2 GLU 15 -8.716 -10.451 -12.298 128 H ALA 16 H ALA 16 -12.565 -9.463 -15.008 129 HA ALA 16 HA ALA 16 -12.674 -10.149 -17.767 130 HB1 ALA 16 HB1 ALA 16 -13.526 -12.311 -16.905 131 HB2 ALA 16 HB2 ALA 16 -14.799 -11.443 -17.763 132 HB3 ALA 16 HB3 ALA 16 -14.783 -11.470 -15.996 133 H GLU 17 H GLU 17 -14.396 -9.139 -14.850 134 HA GLU 17 HA GLU 17 -15.979 -7.103 -16.262 135 HB2 GLU 17 HB3 GLU 17 -16.023 -8.230 -13.441 136 HB3 GLU 17 HB2 GLU 17 -16.872 -6.733 -13.825 137 HG2 GLU 17 HG3 GLU 17 -18.376 -8.678 -13.874 138 HG3 GLU 17 HG2 GLU 17 -18.271 -7.881 -15.440 139 H ASN 18 H ASN 18 -16.224 -5.129 -14.444 140 HA ASN 18 HA ASN 18 -14.116 -3.387 -14.949 141 HB2 ASN 18 HB3 ASN 18 -16.235 -3.268 -12.756 142 HB3 ASN 18 HB2 ASN 18 -15.207 -1.913 -13.227 143 HD21 ASN 18 HD21 ASN 18 -16.948 -0.634 -13.846 144 HD22 ASN 18 HD22 ASN 18 -17.893 -0.953 -15.256 145 HA PRO 19 HA PRO 19 -11.004 -5.082 -12.131 146 HB2 PRO 19 HB3 PRO 19 -9.621 -2.433 -12.508 147 HB3 PRO 19 HB2 PRO 19 -9.019 -4.073 -12.834 148 HG2 PRO 19 HG3 PRO 19 -9.692 -2.483 -14.852 149 HG3 PRO 19 HG2 PRO 19 -10.108 -4.214 -14.899 150 HD2 PRO 19 HD3 PRO 19 -11.891 -1.870 -14.231 151 HD3 PRO 19 HD2 PRO 19 -12.220 -3.280 -15.265 152 H ALA 20 H ALA 20 -12.471 -4.968 -10.275 153 HA ALA 20 HA ALA 20 -11.868 -2.780 -8.351 154 HB1 ALA 20 HB1 ALA 20 -14.080 -3.183 -7.348 155 HB2 ALA 20 HB2 ALA 20 -14.400 -4.462 -8.524 156 HB3 ALA 20 HB3 ALA 20 -14.231 -2.791 -9.062 157 H GLU 21 H GLU 21 -13.334 -6.018 -7.902 158 HA GLU 21 HA GLU 21 -11.609 -6.694 -5.686 159 HB2 GLU 21 HB3 GLU 21 -13.547 -8.453 -7.260 160 HB3 GLU 21 HB2 GLU 21 -12.834 -8.844 -5.697 161 HG2 GLU 21 HG3 GLU 21 -14.085 -7.023 -4.635 162 HG3 GLU 21 HG2 GLU 21 -14.733 -6.534 -6.201 163 H ALA 22 H ALA 22 -11.900 -7.491 -9.072 164 HA ALA 22 HA ALA 22 -10.311 -9.797 -9.227 165 HB1 ALA 22 HB1 ALA 22 -10.422 -9.422 -11.651 166 HB2 ALA 22 HB2 ALA 22 -11.013 -7.778 -11.379 167 HB3 ALA 22 HB3 ALA 22 -11.990 -9.163 -10.888 168 H ASP 23 H ASP 23 -9.442 -6.419 -9.248 169 HA ASP 23 HA ASP 23 -6.795 -6.922 -10.439 170 HB2 ASP 23 HB3 ASP 23 -8.403 -5.044 -11.218 171 HB3 ASP 23 HB2 ASP 23 -7.985 -4.214 -9.729 172 H LEU 24 H LEU 24 -7.762 -7.557 -7.585 173 HA LEU 24 HA LEU 24 -6.496 -5.997 -5.654 174 HB2 LEU 24 HB3 LEU 24 -8.105 -7.847 -5.204 175 HB3 LEU 24 HB2 LEU 24 -6.901 -9.014 -5.711 176 HG LEU 24 HG LEU 24 -5.468 -8.300 -3.753 177 HD11 LEU 24 HD11 LEU 24 -7.917 -6.742 -2.882 178 HD12 LEU 24 HD12 LEU 24 -6.359 -6.069 -3.364 179 HD13 LEU 24 HD13 LEU 24 -6.477 -7.045 -1.903 180 HD21 LEU 24 HD21 LEU 24 -6.837 -10.327 -3.650 181 HD22 LEU 24 HD22 LEU 24 -8.211 -9.397 -3.048 182 HD23 LEU 24 HD23 LEU 24 -6.748 -9.553 -2.069 183 HA PRO 25 HA PRO 25 -2.116 -6.624 -6.770 184 HB2 PRO 25 HB3 PRO 25 -1.016 -5.702 -4.380 185 HB3 PRO 25 HB2 PRO 25 -1.574 -4.643 -5.687 186 HG2 PRO 25 HG3 PRO 25 -3.009 -5.447 -3.179 187 HG3 PRO 25 HG2 PRO 25 -2.895 -3.846 -3.948 188 HD2 PRO 25 HD3 PRO 25 -5.093 -5.347 -4.247 189 HD3 PRO 25 HD2 PRO 25 -4.470 -4.368 -5.591 190 H GLN 26 H GLN 26 -1.023 -8.490 -6.738 191 HA GLN 26 HA GLN 26 -1.495 -10.430 -4.545 192 HB2 GLN 26 HB3 GLN 26 -1.072 -10.954 -7.522 193 HB3 GLN 26 HB2 GLN 26 -1.283 -12.199 -6.294 194 HG2 GLN 26 HG3 GLN 26 -3.571 -11.577 -5.920 195 HG3 GLN 26 HG2 GLN 26 -3.393 -10.098 -6.861 196 HE21 GLN 26 HE21 GLN 26 -5.319 -12.270 -7.204 197 HE22 GLN 26 HE22 GLN 26 -5.094 -12.849 -8.813 198 H GLY 27 H GLY 27 0.304 -10.765 -3.394 199 HA2 GLY 27 HA3 GLY 27 2.602 -11.869 -3.717 200 HA3 GLY 27 HA2 GLY 27 2.986 -10.401 -4.617 201 H ASP 28 H ASP 28 4.432 -11.186 -2.379 202 HA ASP 28 HA ASP 28 3.624 -10.120 0.102 203 HB2 ASP 28 HB3 ASP 28 6.455 -10.506 -0.974 204 HB3 ASP 28 HB2 ASP 28 6.045 -10.245 0.720 205 H ILE 29 H ILE 29 5.541 -8.711 -2.524 206 HA ILE 29 HA ILE 29 6.115 -6.252 -1.164 207 HB ILE 29 HB ILE 29 6.318 -6.830 -4.155 208 HG12 ILE 29 HG13 ILE 29 7.646 -8.485 -2.893 209 HG13 ILE 29 HG12 ILE 29 8.703 -7.380 -3.755 210 HG21 ILE 29 HG21 ILE 29 7.989 -5.005 -4.183 211 HG22 ILE 29 HG22 ILE 29 7.685 -4.700 -2.473 212 HG23 ILE 29 HG23 ILE 29 6.404 -4.431 -3.656 213 HD11 ILE 29 HD11 ILE 29 9.570 -7.895 -1.560 214 HD12 ILE 29 HD12 ILE 29 8.095 -7.307 -0.797 215 HD13 ILE 29 HD13 ILE 29 9.155 -6.185 -1.658 216 H GLU 30 H GLU 30 3.790 -7.309 -3.658 217 HA GLU 30 HA GLU 30 2.621 -4.827 -4.269 218 HB2 GLU 30 HB3 GLU 30 1.568 -7.676 -4.438 219 HB3 GLU 30 HB2 GLU 30 0.632 -6.297 -5.000 220 HG2 GLU 30 HG3 GLU 30 1.722 -7.379 -6.868 221 HG3 GLU 30 HG2 GLU 30 2.382 -5.761 -6.648 222 H LYS 31 H LYS 31 1.858 -7.196 -1.728 223 HA LYS 31 HA LYS 31 -0.489 -5.937 -0.725 224 HB2 LYS 31 HB3 LYS 31 1.481 -7.905 0.491 225 HB3 LYS 31 HB2 LYS 31 0.128 -7.272 1.424 226 HG2 LYS 31 HG3 LYS 31 -1.437 -8.196 -0.289 227 HG3 LYS 31 HG2 LYS 31 -0.053 -8.911 -1.122 228 HD2 LYS 31 HD3 LYS 31 0.454 -10.320 0.790 229 HD3 LYS 31 HD2 LYS 31 -0.768 -9.506 1.775 230 HE2 LYS 31 HE3 LYS 31 -1.333 -11.168 -0.699 231 HE3 LYS 31 HE2 LYS 31 -1.528 -11.714 0.965 232 HZ1 LYS 31 HZ1 LYS 31 -3.205 -10.001 1.296 233 HZ2 LYS 31 HZ2 LYS 31 -3.629 -11.006 0.006 234 HZ3 LYS 31 HZ3 LYS 31 -3.011 -9.467 -0.296 235 H GLN 32 H GLN 32 2.954 -5.707 0.189 236 HA GLN 32 HA GLN 32 2.703 -4.012 2.418 237 HB2 GLN 32 HB3 GLN 32 4.762 -5.247 1.945 238 HB3 GLN 32 HB2 GLN 32 4.996 -4.361 0.445 239 HG2 GLN 32 HG3 GLN 32 6.526 -3.536 2.149 240 HG3 GLN 32 HG2 GLN 32 5.368 -2.279 1.724 241 HE21 GLN 32 HE21 GLN 32 5.769 -1.196 3.684 242 HE22 GLN 32 HE22 GLN 32 5.171 -1.774 5.195 243 H VAL 33 H VAL 33 3.274 -3.270 -1.011 244 HA VAL 33 HA VAL 33 3.428 -0.446 -0.747 245 HB VAL 33 HB VAL 33 2.798 -2.161 -3.199 246 HG11 VAL 33 HG11 VAL 33 3.668 0.755 -3.121 247 HG12 VAL 33 HG12 VAL 33 2.082 0.157 -3.611 248 HG13 VAL 33 HG13 VAL 33 3.505 -0.235 -4.575 249 HG21 VAL 33 HG21 VAL 33 5.447 -0.982 -2.280 250 HG22 VAL 33 HG22 VAL 33 5.182 -1.911 -3.757 251 HG23 VAL 33 HG23 VAL 33 4.983 -2.682 -2.184 252 H ALA 34 H ALA 34 0.756 -2.705 -1.413 253 HA ALA 34 HA ALA 34 -1.271 -0.869 -2.065 254 HB1 ALA 34 HB1 ALA 34 -2.843 -2.658 -1.483 255 HB2 ALA 34 HB2 ALA 34 -1.553 -3.546 -0.661 256 HB3 ALA 34 HB3 ALA 34 -1.481 -3.290 -2.406 257 H ALA 35 H ALA 35 -0.378 -2.292 1.065 258 HA ALA 35 HA ALA 35 -2.358 -1.072 2.645 259 HB1 ALA 35 HB1 ALA 35 -1.103 -3.047 3.369 260 HB2 ALA 35 HB2 ALA 35 -0.975 -1.752 4.561 261 HB3 ALA 35 HB3 ALA 35 0.376 -2.094 3.474 262 H LEU 36 H LEU 36 1.001 -0.122 1.904 263 HA LEU 36 HA LEU 36 1.082 2.198 3.522 264 HB2 LEU 36 HB3 LEU 36 2.705 1.405 1.080 265 HB3 LEU 36 HB2 LEU 36 3.024 2.867 2.000 266 HG LEU 36 HG LEU 36 3.239 0.025 3.065 267 HD11 LEU 36 HD11 LEU 36 5.047 0.578 1.516 268 HD12 LEU 36 HD12 LEU 36 5.656 0.444 3.163 269 HD13 LEU 36 HD13 LEU 36 5.423 2.038 2.438 270 HD21 LEU 36 HD21 LEU 36 4.157 1.032 5.116 271 HD22 LEU 36 HD22 LEU 36 2.494 1.538 4.837 272 HD23 LEU 36 HD23 LEU 36 3.821 2.647 4.485 273 H TRP 37 H TRP 37 0.113 1.723 0.119 274 HA TRP 37 HA TRP 37 -0.315 4.491 -0.457 275 HB2 TRP 37 HB3 TRP 37 -1.348 1.945 -1.748 276 HB3 TRP 37 HB2 TRP 37 -1.869 3.529 -2.305 277 HD1 TRP 37 HD1 TRP 37 1.830 3.048 -1.379 278 HE1 TRP 37 HE1 TRP 37 3.224 3.133 -3.533 279 HE3 TRP 37 HE3 TRP 37 -1.961 3.054 -4.810 280 HZ2 TRP 37 HZ2 TRP 37 2.797 3.185 -6.305 281 HZ3 TRP 37 HZ3 TRP 37 -1.379 3.124 -7.198 282 HH2 TRP 37 HH2 TRP 37 0.951 3.187 -7.930 283 H GLN 38 H GLN 38 -2.367 1.971 0.988 284 HA GLN 38 HA GLN 38 -4.785 3.523 0.872 285 HB2 GLN 38 HB3 GLN 38 -4.091 0.982 2.384 286 HB3 GLN 38 HB2 GLN 38 -5.685 1.736 2.464 287 HG2 GLN 38 HG3 GLN 38 -5.874 1.529 -0.018 288 HG3 GLN 38 HG2 GLN 38 -4.315 0.712 -0.039 289 HE21 GLN 38 HE21 GLN 38 -5.208 -1.115 -1.005 290 HE22 GLN 38 HE22 GLN 38 -6.231 -2.210 -0.146 291 H GLN 39 H GLN 39 -2.155 3.346 3.166 292 HA GLN 39 HA GLN 39 -3.567 4.872 5.215 293 HB2 GLN 39 HB3 GLN 39 -0.603 4.166 5.016 294 HB3 GLN 39 HB2 GLN 39 -1.411 4.835 6.428 295 HG2 GLN 39 HG3 GLN 39 -1.841 2.090 5.225 296 HG3 GLN 39 HG2 GLN 39 -1.031 2.463 6.745 297 HE21 GLN 39 HE21 GLN 39 -2.306 3.061 8.544 298 HE22 GLN 39 HE22 GLN 39 -4.014 2.787 8.590 299 H LEU 40 H LEU 40 -0.682 5.417 3.161 300 HA LEU 40 HA LEU 40 -0.281 8.097 3.885 301 HB2 LEU 40 HB3 LEU 40 0.790 6.323 1.690 302 HB3 LEU 40 HB2 LEU 40 1.162 8.030 1.662 303 HG LEU 40 HG LEU 40 2.986 6.707 2.644 304 HD11 LEU 40 HD11 LEU 40 1.690 8.547 4.670 305 HD12 LEU 40 HD12 LEU 40 2.738 9.033 3.335 306 HD13 LEU 40 HD13 LEU 40 3.388 8.057 4.650 307 HD21 LEU 40 HD21 LEU 40 1.065 5.956 4.865 308 HD22 LEU 40 HD22 LEU 40 2.802 5.629 4.846 309 HD23 LEU 40 HD23 LEU 40 1.750 4.865 3.657 310 H LEU 41 H LEU 41 -2.017 6.729 1.042 311 HA LEU 41 HA LEU 41 -2.593 9.379 -0.042 312 HB2 LEU 41 HB3 LEU 41 -3.769 6.705 -0.906 313 HB3 LEU 41 HB2 LEU 41 -3.904 8.221 -1.777 314 HG LEU 41 HG LEU 41 -1.398 6.591 -1.374 315 HD11 LEU 41 HD11 LEU 41 -1.453 6.251 -3.806 316 HD12 LEU 41 HD12 LEU 41 -2.982 7.129 -3.892 317 HD13 LEU 41 HD13 LEU 41 -2.889 5.600 -3.016 318 HD21 LEU 41 HD21 LEU 41 -0.264 8.238 -2.816 319 HD22 LEU 41 HD22 LEU 41 -0.837 8.964 -1.320 320 HD23 LEU 41 HD23 LEU 41 -1.725 9.229 -2.822 321 H SER 42 H SER 42 -3.933 7.361 2.318 322 HA SER 42 HA SER 42 -5.823 7.256 3.530 323 HB2 SER 42 HB3 SER 42 -6.338 10.056 2.413 324 HB3 SER 42 HB2 SER 42 -7.218 9.330 3.758 325 HG SER 42 HG SER 42 -5.112 9.110 4.802 326 H THR 43 H THR 43 -5.948 5.706 1.463 327 HA THR 43 HA THR 43 -8.508 6.169 0.028 328 HB THR 43 HB THR 43 -7.628 4.631 -1.733 329 HG1 THR 43 HG1 THR 43 -5.052 4.812 -0.591 330 HG21 THR 43 HG21 THR 43 -5.854 6.130 -2.648 331 HG22 THR 43 HG22 THR 43 -5.791 6.969 -1.099 332 HG23 THR 43 HG23 THR 43 -7.258 7.033 -2.075 333 H GLY 44 H GLY 44 -9.889 4.353 -0.341 334 HA2 GLY 44 HA3 GLY 44 -10.141 2.608 1.947 335 HA3 GLY 44 HA2 GLY 44 -11.227 2.703 0.568 336 H ASN 45 H ASN 45 -9.440 2.197 -1.504 337 HA ASN 45 HA ASN 45 -8.111 -0.344 -1.072 338 HB2 ASN 45 HB3 ASN 45 -10.445 -1.139 -1.214 339 HB3 ASN 45 HB2 ASN 45 -10.700 -0.237 -2.703 340 HD21 ASN 45 HD21 ASN 45 -11.057 -1.874 -4.153 341 HD22 ASN 45 HD22 ASN 45 -9.951 -3.159 -4.492 342 H VAL 46 H VAL 46 -6.291 0.605 -2.062 343 HA VAL 46 HA VAL 46 -6.465 1.325 -4.893 344 HB VAL 46 HB VAL 46 -3.957 1.485 -4.806 345 HG11 VAL 46 HG11 VAL 46 -3.860 3.551 -3.454 346 HG12 VAL 46 HG12 VAL 46 -5.398 3.133 -2.693 347 HG13 VAL 46 HG13 VAL 46 -5.336 3.484 -4.421 348 HG21 VAL 46 HG21 VAL 46 -2.764 1.357 -2.681 349 HG22 VAL 46 HG22 VAL 46 -3.576 -0.172 -2.989 350 HG23 VAL 46 HG23 VAL 46 -4.254 0.965 -1.828 351 H THR 47 H THR 47 -6.116 -0.074 -6.514 352 HA THR 47 HA THR 47 -5.436 -2.884 -5.931 353 HB THR 47 HB THR 47 -6.425 -3.355 -8.161 354 HG1 THR 47 HG1 THR 47 -6.744 -1.789 -9.518 355 HG21 THR 47 HG21 THR 47 -8.783 -2.840 -7.626 356 HG22 THR 47 HG22 THR 47 -8.260 -1.708 -6.377 357 HG23 THR 47 HG23 THR 47 -7.920 -3.433 -6.206 358 H ARG 48 H ARG 48 -4.331 -3.878 -8.113 359 HA ARG 48 HA ARG 48 -1.641 -3.017 -7.808 360 HB2 ARG 48 HB3 ARG 48 -1.081 -4.850 -9.345 361 HB3 ARG 48 HB2 ARG 48 -2.254 -5.361 -8.138 362 HG2 ARG 48 HG3 ARG 48 -4.059 -4.918 -9.894 363 HG3 ARG 48 HG2 ARG 48 -2.746 -4.779 -11.064 364 HD2 ARG 48 HD3 ARG 48 -2.040 -7.048 -10.599 365 HD3 ARG 48 HD2 ARG 48 -3.242 -7.194 -9.309 366 HE ARG 48 HE ARG 48 -4.314 -6.569 -11.934 367 HH11 ARG 48 HH11 ARG 48 -3.495 -9.122 -9.646 368 HH12 ARG 48 HH12 ARG 48 -4.542 -10.287 -10.390 369 HH21 ARG 48 HH21 ARG 48 -5.637 -8.129 -12.943 370 HH22 ARG 48 HH22 ARG 48 -5.761 -9.721 -12.265 371 H GLU 49 H GLU 49 -4.019 -2.351 -10.324 372 HA GLU 49 HA GLU 49 -1.981 -0.825 -11.838 373 HB2 GLU 49 HB3 GLU 49 -4.665 -1.925 -12.773 374 HB3 GLU 49 HB2 GLU 49 -3.604 -0.905 -13.745 375 HG2 GLU 49 HG3 GLU 49 -1.824 -2.652 -13.570 376 HG3 GLU 49 HG2 GLU 49 -2.957 -3.675 -12.691 377 H THR 50 H THR 50 -3.464 -0.030 -9.341 378 HA THR 50 HA THR 50 -4.787 2.418 -10.166 379 HB THR 50 HB THR 50 -3.762 1.531 -7.429 380 HG1 THR 50 HG1 THR 50 -5.600 0.411 -8.517 381 HG21 THR 50 HG21 THR 50 -5.570 3.893 -8.114 382 HG22 THR 50 HG22 THR 50 -3.903 4.014 -7.541 383 HG23 THR 50 HG23 THR 50 -5.149 3.343 -6.490 384 H ASP 51 H ASP 51 -3.853 4.412 -10.319 385 HA ASP 51 HA ASP 51 -0.919 4.533 -10.485 386 HB2 ASP 51 HB3 ASP 51 -3.001 6.569 -11.384 387 HB3 ASP 51 HB2 ASP 51 -1.283 6.585 -11.773 388 H PHE 52 H PHE 52 0.305 5.694 -9.087 389 HA PHE 52 HA PHE 52 -0.657 6.338 -6.544 390 HB2 PHE 52 HB3 PHE 52 1.691 5.693 -7.056 391 HB3 PHE 52 HB2 PHE 52 1.950 7.234 -7.860 392 HD1 PHE 52 HD1 PHE 52 1.158 5.686 -4.563 393 HD2 PHE 52 HD2 PHE 52 2.647 9.138 -6.589 394 HE1 PHE 52 HE1 PHE 52 1.879 6.644 -2.422 395 HE2 PHE 52 HE2 PHE 52 3.357 10.093 -4.443 396 HZ PHE 52 HZ PHE 52 2.977 8.845 -2.362 397 H PHE 53 H PHE 53 0.637 8.646 -8.966 398 HA PHE 53 HA PHE 53 -0.030 10.954 -7.416 399 HB2 PHE 53 HB3 PHE 53 0.919 10.674 -10.301 400 HB3 PHE 53 HB2 PHE 53 0.734 12.218 -9.476 401 HD1 PHE 53 HD1 PHE 53 2.393 12.987 -7.875 402 HD2 PHE 53 HD2 PHE 53 2.716 9.068 -9.569 403 HE1 PHE 53 HE1 PHE 53 4.681 12.782 -6.987 404 HE2 PHE 53 HE2 PHE 53 5.002 8.882 -8.670 405 HZ PHE 53 HZ PHE 53 5.983 10.730 -7.378 406 H GLN 54 H GLN 54 -1.553 9.248 -10.091 407 HA GLN 54 HA GLN 54 -3.501 11.214 -10.755 408 HB2 GLN 54 HB3 GLN 54 -2.764 9.360 -12.265 409 HB3 GLN 54 HB2 GLN 54 -3.573 8.203 -11.227 410 HG2 GLN 54 HG3 GLN 54 -5.100 10.435 -12.583 411 HG3 GLN 54 HG2 GLN 54 -4.742 8.931 -13.421 412 HE21 GLN 54 HE21 GLN 54 -5.115 7.239 -11.057 413 HE22 GLN 54 HE22 GLN 54 -6.807 7.213 -10.752 414 H GLN 55 H GLN 55 -3.438 8.498 -8.481 415 HA GLN 55 HA GLN 55 -6.129 8.667 -7.543 416 HB2 GLN 55 HB3 GLN 55 -4.678 6.670 -7.208 417 HB3 GLN 55 HB2 GLN 55 -3.617 7.599 -6.158 418 HG2 GLN 55 HG3 GLN 55 -4.977 6.214 -4.767 419 HG3 GLN 55 HG2 GLN 55 -5.545 7.865 -4.563 420 HE21 GLN 55 HE21 GLN 55 -6.337 4.696 -5.721 421 HE22 GLN 55 HE22 GLN 55 -8.008 4.992 -6.024 422 H GLY 56 H GLY 56 -3.311 10.603 -6.989 423 HA2 GLY 56 HA3 GLY 56 -3.853 12.896 -6.207 424 HA3 GLY 56 HA2 GLY 56 -4.690 12.151 -4.855 425 H GLY 57 H GLY 57 -1.775 10.574 -5.781 426 HA2 GLY 57 HA3 GLY 57 -0.451 11.166 -3.318 427 HA3 GLY 57 HA2 GLY 57 0.218 10.284 -4.682 428 H ASP 58 H ASP 58 1.005 12.718 -2.828 429 HA ASP 58 HA ASP 58 1.683 14.721 -4.882 430 HB2 ASP 58 HB3 ASP 58 0.624 15.502 -2.793 431 HB3 ASP 58 HB2 ASP 58 1.914 14.774 -1.842 432 H SER 59 H SER 59 3.925 15.617 -4.810 433 HA SER 59 HA SER 59 5.988 13.773 -5.131 434 HB2 SER 59 HB3 SER 59 7.454 15.827 -5.055 435 HB3 SER 59 HB2 SER 59 6.057 15.980 -6.115 436 HG SER 59 HG SER 59 4.998 17.003 -4.235 437 H LEU 60 H LEU 60 5.326 15.896 -2.305 438 HA LEU 60 HA LEU 60 7.410 15.008 -0.621 439 HB2 LEU 60 HB3 LEU 60 6.262 17.100 -0.191 440 HB3 LEU 60 HB2 LEU 60 4.715 16.286 -0.037 441 HG LEU 60 HG LEU 60 5.462 15.230 2.079 442 HD11 LEU 60 HD11 LEU 60 8.021 16.803 1.747 443 HD12 LEU 60 HD12 LEU 60 7.836 15.050 1.644 444 HD13 LEU 60 HD13 LEU 60 7.542 15.872 3.171 445 HD21 LEU 60 HD21 LEU 60 5.437 17.225 3.500 446 HD22 LEU 60 HD22 LEU 60 4.270 17.366 2.189 447 HD23 LEU 60 HD23 LEU 60 5.799 18.246 2.104 448 H LEU 61 H LEU 61 4.043 13.980 -0.998 449 HA LEU 61 HA LEU 61 3.930 12.007 1.011 450 HB2 LEU 61 HB3 LEU 61 2.057 13.163 -0.372 451 HB3 LEU 61 HB2 LEU 61 2.358 11.949 -1.596 452 HG LEU 61 HG LEU 61 1.505 11.286 1.257 453 HD11 LEU 61 HD11 LEU 61 -0.768 10.959 0.376 454 HD12 LEU 61 HD12 LEU 61 -0.252 11.560 -1.203 455 HD13 LEU 61 HD13 LEU 61 -0.237 12.631 0.201 456 HD21 LEU 61 HD21 LEU 61 1.493 9.587 -1.254 457 HD22 LEU 61 HD22 LEU 61 0.863 9.099 0.321 458 HD23 LEU 61 HD23 LEU 61 2.584 9.411 0.120 459 H ALA 62 H ALA 62 5.100 11.986 -2.301 460 HA ALA 62 HA ALA 62 5.418 9.168 -2.632 461 HB1 ALA 62 HB1 ALA 62 5.201 10.717 -4.517 462 HB2 ALA 62 HB2 ALA 62 6.712 9.812 -4.631 463 HB3 ALA 62 HB3 ALA 62 6.726 11.492 -4.085 464 H THR 63 H THR 63 7.467 11.769 -1.410 465 HA THR 63 HA THR 63 9.913 10.328 -1.178 466 HB THR 63 HB THR 63 9.025 12.701 0.537 467 HG1 THR 63 HG1 THR 63 9.002 12.760 -2.008 468 HG21 THR 63 HG21 THR 63 11.431 13.275 0.547 469 HG22 THR 63 HG22 THR 63 11.783 11.838 -0.414 470 HG23 THR 63 HG23 THR 63 11.171 11.668 1.231 471 H ARG 64 H ARG 64 7.123 10.843 0.939 472 HA ARG 64 HA ARG 64 8.088 9.484 3.245 473 HB2 ARG 64 HB3 ARG 64 5.212 9.979 2.350 474 HB3 ARG 64 HB2 ARG 64 5.701 9.448 3.958 475 HG2 ARG 64 HG3 ARG 64 6.998 11.578 4.198 476 HG3 ARG 64 HG2 ARG 64 6.333 12.103 2.654 477 HD2 ARG 64 HD3 ARG 64 4.078 12.073 3.564 478 HD3 ARG 64 HD2 ARG 64 4.664 11.404 5.096 479 HE ARG 64 HE ARG 64 4.875 14.149 4.165 480 HH11 ARG 64 HH11 ARG 64 6.097 11.787 6.502 481 HH12 ARG 64 HH12 ARG 64 6.693 13.010 7.581 482 HH21 ARG 64 HH21 ARG 64 5.732 15.707 5.569 483 HH22 ARG 64 HH22 ARG 64 6.485 15.212 7.051 484 H LEU 65 H LEU 65 6.238 8.490 0.386 485 HA LEU 65 HA LEU 65 5.411 5.947 1.277 486 HB2 LEU 65 HB3 LEU 65 4.539 7.368 -0.707 487 HB3 LEU 65 HB2 LEU 65 5.893 6.756 -1.633 488 HG LEU 65 HG LEU 65 3.655 5.604 -2.027 489 HD11 LEU 65 HD11 LEU 65 5.736 4.518 -2.721 490 HD12 LEU 65 HD12 LEU 65 4.519 3.348 -2.219 491 HD13 LEU 65 HD13 LEU 65 5.866 3.736 -1.142 492 HD21 LEU 65 HD21 LEU 65 2.865 5.599 0.296 493 HD22 LEU 65 HD22 LEU 65 4.117 4.435 0.734 494 HD23 LEU 65 HD23 LEU 65 2.840 3.977 -0.393 495 H THR 66 H THR 66 8.129 6.931 -0.806 496 HA THR 66 HA THR 66 9.372 4.426 -1.092 497 HB THR 66 HB THR 66 11.442 5.799 -1.662 498 HG1 THR 66 HG1 THR 66 9.816 8.106 -1.466 499 HG21 THR 66 HG21 THR 66 9.833 5.225 -3.430 500 HG22 THR 66 HG22 THR 66 10.478 6.845 -3.696 501 HG23 THR 66 HG23 THR 66 8.857 6.642 -3.029 502 H GLY 67 H GLY 67 9.752 6.996 1.293 503 HA2 GLY 67 HA3 GLY 67 11.865 6.018 2.843 504 HA3 GLY 67 HA2 GLY 67 10.586 7.076 3.422 505 H GLN 68 H GLN 68 8.372 5.380 3.134 506 HA GLN 68 HA GLN 68 8.432 3.899 5.551 507 HB2 GLN 68 HB3 GLN 68 6.419 3.834 3.257 508 HB3 GLN 68 HB2 GLN 68 6.166 3.050 4.808 509 HG2 GLN 68 HG3 GLN 68 6.509 6.034 4.419 510 HG3 GLN 68 HG2 GLN 68 4.967 5.208 4.597 511 HE21 GLN 68 HE21 GLN 68 6.179 7.304 6.241 512 HE22 GLN 68 HE22 GLN 68 6.268 6.671 7.844 513 H LEU 69 H LEU 69 8.693 3.008 2.157 514 HA LEU 69 HA LEU 69 8.774 0.202 2.399 515 HB2 LEU 69 HB3 LEU 69 9.899 2.113 0.320 516 HB3 LEU 69 HB2 LEU 69 9.990 0.369 0.136 517 HG LEU 69 HG LEU 69 7.345 1.842 0.464 518 HD11 LEU 69 HD11 LEU 69 8.705 1.048 -2.128 519 HD12 LEU 69 HD12 LEU 69 8.437 2.692 -1.545 520 HD13 LEU 69 HD13 LEU 69 7.060 1.679 -1.974 521 HD21 LEU 69 HD21 LEU 69 6.375 -0.224 -0.456 522 HD22 LEU 69 HD22 LEU 69 7.274 -0.543 1.025 523 HD23 LEU 69 HD23 LEU 69 7.982 -0.955 -0.539 524 H HIS 70 H HIS 70 11.348 2.680 2.498 525 HA HIS 70 HA HIS 70 13.586 0.973 2.650 526 HB2 HIS 70 HB3 HIS 70 13.175 3.803 3.699 527 HB3 HIS 70 HB2 HIS 70 14.727 2.972 3.791 528 HD1 HIS 70 HD1 HIS 70 12.966 5.242 1.683 529 HD2 HIS 70 HD2 HIS 70 15.549 2.072 1.053 530 HE1 HIS 70 HE1 HIS 70 13.890 5.577 -0.618 531 HE2 HIS 70 HE2 HIS 70 15.644 3.809 -0.849 532 H GLN 71 H GLN 71 11.434 2.185 5.150 533 HA GLN 71 HA GLN 71 12.876 1.133 7.400 534 HB2 GLN 71 HB3 GLN 71 9.937 1.918 7.168 535 HB3 GLN 71 HB2 GLN 71 10.836 1.703 8.671 536 HG2 GLN 71 HG3 GLN 71 12.318 3.604 8.025 537 HG3 GLN 71 HG2 GLN 71 11.349 3.835 6.575 538 HE21 GLN 71 HE21 GLN 71 11.844 5.658 8.824 539 HE22 GLN 71 HE22 GLN 71 10.286 6.103 9.411 540 H ALA 72 H ALA 72 10.435 -0.104 5.196 541 HA ALA 72 HA ALA 72 10.065 -2.631 6.604 542 HB1 ALA 72 HB1 ALA 72 9.124 -1.754 3.844 543 HB2 ALA 72 HB2 ALA 72 8.198 -1.638 5.341 544 HB3 ALA 72 HB3 ALA 72 8.618 -3.222 4.691 545 H GLY 73 H GLY 73 12.641 -1.460 4.986 546 HA2 GLY 73 HA3 GLY 73 14.612 -2.533 4.434 547 HA3 GLY 73 HA2 GLY 73 13.798 -4.079 4.601 548 H TYR 74 H TYR 74 12.642 -1.502 2.528 549 HA TYR 74 HA TYR 74 13.444 -3.002 0.104 550 HB2 TYR 74 HB3 TYR 74 10.856 -1.404 0.453 551 HB3 TYR 74 HB2 TYR 74 11.328 -2.329 -0.973 552 HD1 TYR 74 HD1 TYR 74 12.147 -4.916 -0.063 553 HD2 TYR 74 HD2 TYR 74 9.054 -2.440 1.542 554 HE1 TYR 74 HE1 TYR 74 11.026 -6.904 0.840 555 HE2 TYR 74 HE2 TYR 74 7.935 -4.438 2.444 556 HH TYR 74 HH TYR 74 7.840 -6.857 2.018 557 H GLU 75 H GLU 75 14.668 -1.851 -1.287 558 HA GLU 75 HA GLU 75 15.161 0.966 -0.809 559 HB2 GLU 75 HB3 GLU 75 16.885 -0.906 -1.494 560 HB3 GLU 75 HB2 GLU 75 16.327 -0.605 -3.126 561 HG2 GLU 75 HG3 GLU 75 17.700 1.350 -1.271 562 HG3 GLU 75 HG2 GLU 75 18.379 0.615 -2.716 563 H ALA 76 H ALA 76 14.340 2.608 -1.973 564 HA ALA 76 HA ALA 76 12.556 2.154 -4.242 565 HB1 ALA 76 HB1 ALA 76 11.626 3.341 -1.611 566 HB2 ALA 76 HB2 ALA 76 11.162 1.768 -2.260 567 HB3 ALA 76 HB3 ALA 76 10.672 3.241 -3.097 568 H GLN 77 H GLN 77 12.509 3.870 -5.595 569 HA GLN 77 HA GLN 77 13.631 6.463 -4.692 570 HB2 GLN 77 HB3 GLN 77 13.871 5.175 -7.444 571 HB3 GLN 77 HB2 GLN 77 14.408 6.802 -7.046 572 HG2 GLN 77 HG3 GLN 77 15.518 4.245 -5.858 573 HG3 GLN 77 HG2 GLN 77 16.285 5.211 -7.117 574 HE21 GLN 77 HE21 GLN 77 17.213 4.463 -4.446 575 HE22 GLN 77 HE22 GLN 77 17.589 5.944 -3.645 576 H LEU 78 H LEU 78 12.581 8.292 -5.264 577 HA LEU 78 HA LEU 78 9.808 8.234 -5.877 578 HB2 LEU 78 HB3 LEU 78 11.283 9.985 -4.579 579 HB3 LEU 78 HB2 LEU 78 11.563 10.705 -6.150 580 HG LEU 78 HG LEU 78 8.801 10.357 -4.893 581 HD11 LEU 78 HD11 LEU 78 10.109 11.863 -3.517 582 HD12 LEU 78 HD12 LEU 78 8.876 12.764 -4.390 583 HD13 LEU 78 HD13 LEU 78 10.558 12.826 -4.926 584 HD21 LEU 78 HD21 LEU 78 9.640 12.014 -7.294 585 HD22 LEU 78 HD22 LEU 78 8.038 12.020 -6.548 586 HD23 LEU 78 HD23 LEU 78 8.644 10.558 -7.319 587 H SER 79 H SER 79 12.734 8.656 -7.775 588 HA SER 79 HA SER 79 11.822 9.544 -10.213 589 HB2 SER 79 HB3 SER 79 13.941 7.405 -9.791 590 HB3 SER 79 HB2 SER 79 13.796 8.473 -11.187 591 HG SER 79 HG SER 79 14.027 10.225 -9.516 592 H ASP 80 H ASP 80 11.701 6.312 -8.849 593 HA ASP 80 HA ASP 80 10.646 5.028 -11.208 594 HB2 ASP 80 HB3 ASP 80 11.065 4.054 -8.352 595 HB3 ASP 80 HB2 ASP 80 10.460 3.022 -9.646 596 H LEU 81 H LEU 81 9.258 6.760 -8.559 597 HA LEU 81 HA LEU 81 6.721 5.399 -8.559 598 HB2 LEU 81 HB3 LEU 81 7.931 7.599 -7.024 599 HB3 LEU 81 HB2 LEU 81 6.263 7.965 -7.425 600 HG LEU 81 HG LEU 81 7.202 5.466 -5.963 601 HD11 LEU 81 HD11 LEU 81 6.151 6.414 -3.988 602 HD12 LEU 81 HD12 LEU 81 5.716 7.869 -4.890 603 HD13 LEU 81 HD13 LEU 81 7.414 7.482 -4.597 604 HD21 LEU 81 HD21 LEU 81 4.376 6.391 -6.585 605 HD22 LEU 81 HD22 LEU 81 4.813 5.001 -5.585 606 HD23 LEU 81 HD23 LEU 81 5.202 5.004 -7.302 607 H PHE 82 H PHE 82 7.824 8.532 -9.969 608 HA PHE 82 HA PHE 82 5.287 8.875 -11.325 609 HB2 PHE 82 HB3 PHE 82 6.273 10.881 -12.378 610 HB3 PHE 82 HB2 PHE 82 6.432 10.889 -10.634 611 HD1 PHE 82 HD1 PHE 82 8.547 11.307 -9.643 612 HD2 PHE 82 HD2 PHE 82 8.373 10.220 -13.780 613 HE1 PHE 82 HE1 PHE 82 10.932 11.860 -9.904 614 HE2 PHE 82 HE2 PHE 82 10.759 10.765 -14.016 615 HZ PHE 82 HZ PHE 82 12.036 11.588 -12.085 616 H ASN 83 H ASN 83 8.332 7.356 -12.088 617 HA ASN 83 HA ASN 83 7.851 7.144 -14.940 618 HB2 ASN 83 HB3 ASN 83 10.155 7.147 -13.999 619 HB3 ASN 83 HB2 ASN 83 9.825 5.631 -13.163 620 HD21 ASN 83 HD21 ASN 83 11.446 4.483 -14.227 621 HD22 ASN 83 HD22 ASN 83 11.376 4.089 -15.909 622 H HIS 84 H HIS 84 7.204 5.195 -12.092 623 HA HIS 84 HA HIS 84 5.668 3.244 -13.716 624 HB2 HIS 84 HB3 HIS 84 7.189 2.634 -11.135 625 HB3 HIS 84 HB2 HIS 84 6.193 1.499 -12.041 626 HD1 HIS 84 HD1 HIS 84 7.152 0.631 -14.321 627 HD2 HIS 84 HD2 HIS 84 9.782 2.994 -12.127 628 HE1 HIS 84 HE1 HIS 84 9.398 0.321 -15.394 629 HE2 HIS 84 HE2 HIS 84 10.993 1.634 -13.958 630 HA PRO 85 HA PRO 85 2.923 5.713 -10.949 631 HB2 PRO 85 HB3 PRO 85 0.822 5.136 -12.976 632 HB3 PRO 85 HB2 PRO 85 1.452 6.700 -12.420 633 HG2 PRO 85 HG3 PRO 85 1.987 5.755 -14.891 634 HG3 PRO 85 HG2 PRO 85 3.163 6.734 -13.983 635 HD2 PRO 85 HD3 PRO 85 3.078 3.739 -14.344 636 HD3 PRO 85 HD2 PRO 85 4.469 4.849 -14.425 637 H ARG 86 H ARG 86 2.283 2.572 -12.424 638 HA ARG 86 HA ARG 86 -0.035 1.940 -10.843 639 HB2 ARG 86 HB3 ARG 86 1.740 0.235 -12.612 640 HB3 ARG 86 HB2 ARG 86 0.407 -0.453 -11.697 641 HG2 ARG 86 HG3 ARG 86 -0.297 -0.120 -13.957 642 HG3 ARG 86 HG2 ARG 86 -1.159 1.032 -12.935 643 HD2 ARG 86 HD3 ARG 86 -0.414 2.034 -15.075 644 HD3 ARG 86 HD2 ARG 86 0.313 2.834 -13.680 645 HE ARG 86 HE ARG 86 2.366 1.456 -14.168 646 HH11 ARG 86 HH11 ARG 86 0.111 2.172 -16.783 647 HH12 ARG 86 HH12 ARG 86 1.319 2.021 -18.020 648 HH21 ARG 86 HH21 ARG 86 3.942 1.314 -15.810 649 HH22 ARG 86 HH22 ARG 86 3.482 1.536 -17.466 650 H LEU 87 H LEU 87 -0.204 0.323 -9.257 651 HA LEU 87 HA LEU 87 1.616 0.554 -7.140 652 HB2 LEU 87 HB3 LEU 87 -0.855 0.171 -7.045 653 HB3 LEU 87 HB2 LEU 87 -0.598 -1.488 -7.537 654 HG LEU 87 HG LEU 87 0.552 -0.367 -4.945 655 HD11 LEU 87 HD11 LEU 87 -1.388 -1.332 -3.793 656 HD12 LEU 87 HD12 LEU 87 -2.126 -1.736 -5.340 657 HD13 LEU 87 HD13 LEU 87 -1.865 -0.047 -4.896 658 HD21 LEU 87 HD21 LEU 87 -0.019 -3.223 -5.819 659 HD22 LEU 87 HD22 LEU 87 0.585 -2.736 -4.231 660 HD23 LEU 87 HD23 LEU 87 1.573 -2.479 -5.665 661 H ALA 88 H ALA 88 0.870 -2.287 -9.210 662 HA ALA 88 HA ALA 88 2.902 -3.955 -8.000 663 HB1 ALA 88 HB1 ALA 88 0.811 -4.914 -8.880 664 HB2 ALA 88 HB2 ALA 88 2.219 -5.629 -9.666 665 HB3 ALA 88 HB3 ALA 88 1.254 -4.414 -10.513 666 H ASP 89 H ASP 89 2.734 -1.794 -10.699 667 HA ASP 89 HA ASP 89 5.025 -2.741 -12.166 668 HB2 ASP 89 HB3 ASP 89 3.207 -1.557 -13.281 669 HB3 ASP 89 HB2 ASP 89 3.427 -0.153 -12.250 670 H PHE 90 H PHE 90 4.444 -0.304 -9.666 671 HA PHE 90 HA PHE 90 7.182 0.619 -9.543 672 HB2 PHE 90 HB3 PHE 90 5.364 2.112 -8.814 673 HB3 PHE 90 HB2 PHE 90 4.858 0.956 -7.586 674 HD1 PHE 90 HD1 PHE 90 8.095 2.617 -8.598 675 HD2 PHE 90 HD2 PHE 90 5.421 1.630 -5.401 676 HE1 PHE 90 HE1 PHE 90 9.608 3.697 -6.986 677 HE2 PHE 90 HE2 PHE 90 6.943 2.717 -3.806 678 HZ PHE 90 HZ PHE 90 9.038 3.743 -4.592 679 H ALA 91 H ALA 91 5.183 -1.770 -7.885 680 HA ALA 91 HA ALA 91 6.941 -2.439 -5.767 681 HB1 ALA 91 HB1 ALA 91 5.465 -4.374 -5.432 682 HB2 ALA 91 HB2 ALA 91 4.712 -4.088 -7.003 683 HB3 ALA 91 HB3 ALA 91 4.530 -2.904 -5.708 684 H ALA 92 H ALA 92 6.618 -3.616 -9.073 685 HA ALA 92 HA ALA 92 8.358 -5.873 -8.870 686 HB1 ALA 92 HB1 ALA 92 6.702 -5.645 -10.674 687 HB2 ALA 92 HB2 ALA 92 8.324 -5.858 -11.331 688 HB3 ALA 92 HB3 ALA 92 7.576 -4.257 -11.323 689 H THR 93 H THR 93 8.876 -2.427 -9.425 690 HA THR 93 HA THR 93 11.719 -2.783 -10.068 691 HB THR 93 HB THR 93 11.679 -0.246 -10.344 692 HG1 THR 93 HG1 THR 93 9.736 0.064 -9.045 693 HG21 THR 93 HG21 THR 93 11.456 -1.750 -12.299 694 HG22 THR 93 HG22 THR 93 10.480 -0.294 -12.495 695 HG23 THR 93 HG23 THR 93 9.708 -1.814 -12.044 696 H LEU 94 H LEU 94 10.105 -2.893 -7.261 697 HA LEU 94 HA LEU 94 11.904 -1.269 -5.657 698 HB2 LEU 94 HB3 LEU 94 9.797 -3.308 -4.874 699 HB3 LEU 94 HB2 LEU 94 10.791 -2.447 -3.705 700 HG LEU 94 HG LEU 94 8.752 -1.236 -5.596 701 HD11 LEU 94 HD11 LEU 94 7.767 -2.338 -3.668 702 HD12 LEU 94 HD12 LEU 94 7.573 -0.592 -3.556 703 HD13 LEU 94 HD13 LEU 94 8.795 -1.406 -2.575 704 HD21 LEU 94 HD21 LEU 94 10.633 0.291 -5.455 705 HD22 LEU 94 HD22 LEU 94 10.625 0.202 -3.692 706 HD23 LEU 94 HD23 LEU 94 9.269 0.938 -4.549 707 H ARG 95 H ARG 95 13.586 -1.946 -4.493 708 HA ARG 95 HA ARG 95 14.670 -4.663 -4.931 709 HB2 ARG 95 HB3 ARG 95 16.322 -2.523 -3.600 710 HB3 ARG 95 HB2 ARG 95 16.805 -3.741 -4.770 711 HG2 ARG 95 HG3 ARG 95 15.896 -2.390 -6.597 712 HG3 ARG 95 HG2 ARG 95 15.277 -1.212 -5.436 713 HD2 ARG 95 HD3 ARG 95 17.689 -0.878 -4.679 714 HD3 ARG 95 HD2 ARG 95 18.175 -1.828 -6.084 715 HE ARG 95 HE ARG 95 16.923 0.835 -6.089 716 HH11 ARG 95 HH11 ARG 95 18.415 -1.750 -7.937 717 HH12 ARG 95 HH12 ARG 95 18.646 -0.763 -9.346 718 HH21 ARG 95 HH21 ARG 95 17.275 2.116 -7.888 719 HH22 ARG 95 HH22 ARG 95 17.994 1.436 -9.313 720 H LYS 96 H LYS 96 15.533 -5.763 -2.980 721 HA LYS 96 HA LYS 96 14.387 -4.889 -0.414 722 HB2 LYS 96 HB3 LYS 96 15.782 -7.464 -1.279 723 HB3 LYS 96 HB2 LYS 96 15.352 -7.125 0.398 724 HG2 LYS 96 HG3 LYS 96 12.981 -6.971 -0.197 725 HG3 LYS 96 HG2 LYS 96 13.372 -7.218 -1.901 726 HD2 LYS 96 HD3 LYS 96 14.143 -9.495 -1.429 727 HD3 LYS 96 HD2 LYS 96 13.880 -9.255 0.303 728 HE2 LYS 96 HE3 LYS 96 11.486 -9.059 -0.031 729 HE3 LYS 96 HE2 LYS 96 11.682 -9.093 -1.786 730 HZ1 LYS 96 HZ1 LYS 96 12.419 -11.319 0.027 731 HZ2 LYS 96 HZ2 LYS 96 12.452 -11.340 -1.659 732 HZ3 LYS 96 HZ3 LYS 96 10.979 -11.223 -0.844 733 H THR 97 H THR 97 15.559 -3.349 0.586 734 HA THR 97 HA THR 97 18.319 -2.853 0.273 735 HB THR 97 HB THR 97 16.593 -2.082 2.677 736 HG1 THR 97 HG1 THR 97 16.967 -0.220 0.688 737 HG21 THR 97 HG21 THR 97 19.025 -0.693 1.482 738 HG22 THR 97 HG22 THR 97 19.024 -1.632 2.978 739 HG23 THR 97 HG23 THR 97 18.084 -0.143 2.869 740 H ASP 98 H ASP 98 20.107 -3.579 1.422 741 HA ASP 98 HA ASP 98 19.976 -5.818 3.168 742 HB2 ASP 98 HB3 ASP 98 22.224 -3.807 2.698 743 HB3 ASP 98 HB2 ASP 98 22.394 -5.259 3.685 744 H VAL 99 H VAL 99 18.874 -5.639 5.020 745 HA VAL 99 HA VAL 99 18.628 -3.328 6.638 746 HB VAL 99 HB VAL 99 17.691 -4.849 8.371 747 HG11 VAL 99 HG11 VAL 99 16.211 -4.077 6.586 748 HG12 VAL 99 HG12 VAL 99 15.777 -5.720 7.055 749 HG13 VAL 99 HG13 VAL 99 16.680 -5.438 5.563 750 HG21 VAL 99 HG21 VAL 99 18.516 -7.123 6.522 751 HG22 VAL 99 HG22 VAL 99 17.510 -7.290 7.963 752 HG23 VAL 99 HG23 VAL 99 19.192 -6.777 8.114 753 HA PRO 100 HA PRO 100 22.508 -2.928 8.600 754 HB2 PRO 100 HB3 PRO 100 21.919 -2.016 11.142 755 HB3 PRO 100 HB2 PRO 100 21.706 -1.046 9.674 756 HG2 PRO 100 HG3 PRO 100 19.648 -2.630 11.183 757 HG3 PRO 100 HG2 PRO 100 19.537 -0.975 10.541 758 HD2 PRO 100 HD3 PRO 100 18.436 -3.035 9.214 759 HD3 PRO 100 HD2 PRO 100 19.220 -1.697 8.341 760 H VAL 101 H VAL 101 20.964 -5.686 9.330 761 HA VAL 101 HA VAL 101 22.419 -6.618 11.625 762 HB VAL 101 HB VAL 101 21.557 -8.822 11.135 763 HG11 VAL 101 HG11 VAL 101 19.135 -8.383 11.083 764 HG12 VAL 101 HG12 VAL 101 19.434 -6.742 10.505 765 HG13 VAL 101 HG13 VAL 101 19.972 -7.223 12.118 766 HG21 VAL 101 HG21 VAL 101 20.714 -7.767 8.410 767 HG22 VAL 101 HG22 VAL 101 20.304 -9.358 9.058 768 HG23 VAL 101 HG23 VAL 101 21.987 -8.947 8.728 769 H GLU 102 H GLU 102 23.179 -6.216 8.276 770 HA GLU 102 HA GLU 102 25.267 -8.200 8.114 771 HB2 GLU 102 HB3 GLU 102 25.814 -6.957 5.918 772 HB3 GLU 102 HB2 GLU 102 24.267 -7.774 6.035 773 HG2 GLU 102 HG3 GLU 102 24.031 -5.646 4.890 774 HG3 GLU 102 HG2 GLU 102 23.137 -5.638 6.407 775 H GLN 103 H GLN 103 27.383 -6.865 6.879 776 HA GLN 103 HA GLN 103 28.551 -5.266 9.082 777 HB2 GLN 103 HB3 GLN 103 30.617 -6.599 8.911 778 HB3 GLN 103 HB2 GLN 103 29.259 -7.644 9.310 779 HG2 GLN 103 HG3 GLN 103 29.147 -8.431 6.989 780 HG3 GLN 103 HG2 GLN 103 30.450 -7.325 6.539 781 HE21 GLN 103 HE21 GLN 103 32.579 -7.784 7.236 782 HE22 GLN 103 HE22 GLN 103 33.036 -9.349 7.808 783 HA PRO 104 HA PRO 104 30.246 -2.649 5.775 784 HB2 PRO 104 HB3 PRO 104 32.779 -2.058 6.771 785 HB3 PRO 104 HB2 PRO 104 31.294 -1.269 7.333 786 HG2 PRO 104 HG3 PRO 104 32.783 -3.559 8.581 787 HG3 PRO 104 HG2 PRO 104 32.068 -2.127 9.358 788 HD2 PRO 104 HD3 PRO 104 30.796 -4.495 9.426 789 HD3 PRO 104 HD2 PRO 104 29.890 -2.974 9.234 790 H PHE 105 H PHE 105 30.271 -4.369 4.238 791 HA PHE 105 HA PHE 105 32.965 -5.493 3.657 792 HB2 PHE 105 HB3 PHE 105 31.025 -7.143 4.117 793 HB3 PHE 105 HB2 PHE 105 30.310 -6.587 2.610 794 HD1 PHE 105 HD1 PHE 105 31.649 -6.928 0.430 795 HD2 PHE 105 HD2 PHE 105 32.739 -8.808 4.121 796 HE1 PHE 105 HE1 PHE 105 33.035 -8.547 -0.797 797 HE2 PHE 105 HE2 PHE 105 34.123 -10.422 2.875 798 HZ PHE 105 HZ PHE 105 34.273 -10.288 0.422 799 H VAL 106 H VAL 106 33.896 -4.810 1.792 800 HA VAL 106 HA VAL 106 32.587 -2.639 0.346 801 HB VAL 106 HB VAL 106 34.861 -2.233 -0.644 802 HG11 VAL 106 HG11 VAL 106 34.782 -2.386 2.392 803 HG12 VAL 106 HG12 VAL 106 34.178 -1.059 1.397 804 HG13 VAL 106 HG13 VAL 106 35.907 -1.407 1.443 805 HG21 VAL 106 HG21 VAL 106 35.757 -4.540 -0.592 806 HG22 VAL 106 HG22 VAL 106 35.795 -4.495 1.172 807 HG23 VAL 106 HG23 VAL 106 36.836 -3.418 0.239 808 H HIS 107 H HIS 107 31.233 -4.824 -0.348 809 HA HIS 107 HA HIS 107 32.154 -6.105 -2.756 810 HB2 HIS 107 HB3 HIS 107 30.433 -7.067 -1.147 811 HB3 HIS 107 HB2 HIS 107 29.282 -5.877 -1.743 812 HD1 HIS 107 HD1 HIS 107 27.791 -7.937 -2.489 813 HD2 HIS 107 HD2 HIS 107 31.422 -7.640 -4.492 814 HE1 HIS 107 HE1 HIS 107 27.604 -9.466 -4.471 815 HE2 HIS 107 HE2 HIS 107 29.846 -9.370 -5.576 816 H SER 108 H SER 108 30.452 -3.165 -1.988 817 HA SER 108 HA SER 108 29.618 -2.446 -4.623 818 HB2 SER 108 HB3 SER 108 29.427 -0.127 -3.531 819 HB3 SER 108 HB2 SER 108 28.499 -1.410 -2.754 820 HG SER 108 HG SER 108 29.657 -0.118 -1.263 821 HA PRO 109 HA PRO 109 33.409 -1.411 -6.621 822 HB2 PRO 109 HB3 PRO 109 32.777 1.003 -7.925 823 HB3 PRO 109 HB2 PRO 109 32.364 -0.618 -8.512 824 HG2 PRO 109 HG3 PRO 109 30.658 1.314 -6.981 825 HG3 PRO 109 HG2 PRO 109 30.226 0.276 -8.361 826 HD2 PRO 109 HD3 PRO 109 29.514 -0.419 -5.878 827 HD3 PRO 109 HD2 PRO 109 30.072 -1.657 -7.028 828 H GLU 110 H GLU 110 32.005 1.177 -4.683 829 HA GLU 110 HA GLU 110 32.773 2.932 -3.520 830 HB2 GLU 110 HB3 GLU 110 34.101 0.916 -2.490 831 HB3 GLU 110 HB2 GLU 110 35.500 1.605 -3.292 832 HG2 GLU 110 HG3 GLU 110 33.788 3.036 -1.232 833 HG3 GLU 110 HG2 GLU 110 35.300 2.223 -0.882 834 H ASP 111 H ASP 111 32.526 4.076 -5.489 835 HA ASP 111 HA ASP 111 34.731 4.620 -7.254 836 HB2 ASP 111 HB3 ASP 111 33.165 6.138 -8.403 837 HB3 ASP 111 HB2 ASP 111 32.424 4.576 -8.104 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 23.881 2.769 -36.030 2 H2 GLY 1 H2 GLY 1 24.787 3.333 -34.723 3 H3 GLY 1 H3 GLY 1 24.908 4.097 -36.219 4 HA2 GLY 1 HA2 GLY 1 23.580 5.420 -34.728 5 HA3 GLY 1 HA3 GLY 1 22.628 4.841 -36.087 6 H THR 2 H THR 2 21.173 5.653 -34.036 7 HA THR 2 HA THR 2 20.615 3.571 -32.093 8 HB THR 2 HB THR 2 19.123 6.181 -32.674 9 HG1 THR 2 HG1 THR 2 21.503 6.036 -31.867 10 HG21 THR 2 HG21 THR 2 17.735 4.553 -31.382 11 HG22 THR 2 HG22 THR 2 18.202 5.931 -30.385 12 HG23 THR 2 HG23 THR 2 19.034 4.388 -30.196 13 H ILE 3 H ILE 3 19.322 1.865 -32.523 14 HA ILE 3 HA ILE 3 17.503 1.768 -34.777 15 HB ILE 3 HB ILE 3 16.899 -0.503 -33.963 16 HG12 ILE 3 HG13 ILE 3 18.787 0.069 -31.630 17 HG13 ILE 3 HG12 ILE 3 17.037 -0.057 -31.515 18 HG21 ILE 3 HG21 ILE 3 19.900 -0.031 -34.023 19 HG22 ILE 3 HG22 ILE 3 18.855 -0.251 -35.428 20 HG23 ILE 3 HG23 ILE 3 19.095 -1.579 -34.293 21 HD11 ILE 3 HD11 ILE 3 17.170 -2.411 -32.179 22 HD12 ILE 3 HD12 ILE 3 18.092 -2.067 -30.717 23 HD13 ILE 3 HD13 ILE 3 18.930 -2.285 -32.253 24 H ASP 4 H ASP 4 15.188 1.297 -34.553 25 HA ASP 4 HA ASP 4 13.903 2.924 -32.520 26 HB2 ASP 4 HB3 ASP 4 12.701 1.296 -34.802 27 HB3 ASP 4 HB2 ASP 4 11.783 2.359 -33.739 28 H TYR 5 H TYR 5 14.670 1.676 -30.749 29 HA TYR 5 HA TYR 5 13.649 -1.001 -30.261 30 HB2 TYR 5 HB3 TYR 5 14.919 -0.925 -28.184 31 HB3 TYR 5 HB2 TYR 5 15.928 -0.310 -29.484 32 HD1 TYR 5 HD1 TYR 5 16.230 2.243 -29.694 33 HD2 TYR 5 HD2 TYR 5 14.505 0.427 -26.231 34 HE1 TYR 5 HE1 TYR 5 16.644 4.298 -28.410 35 HE2 TYR 5 HE2 TYR 5 14.921 2.481 -24.951 36 HH TYR 5 HH TYR 5 15.846 5.430 -26.419 37 H GLN 6 H GLN 6 12.828 2.300 -29.484 38 HA GLN 6 HA GLN 6 10.880 1.751 -27.450 39 HB2 GLN 6 HB3 GLN 6 12.037 3.960 -27.732 40 HB3 GLN 6 HB2 GLN 6 11.172 4.203 -29.247 41 HG2 GLN 6 HG3 GLN 6 9.011 4.106 -27.941 42 HG3 GLN 6 HG2 GLN 6 9.965 4.056 -26.460 43 HE21 GLN 6 HE21 GLN 6 8.015 6.061 -27.457 44 HE22 GLN 6 HE22 GLN 6 8.866 7.565 -27.447 45 H ALA 7 H ALA 7 10.884 1.542 -30.918 46 HA ALA 7 HA ALA 7 8.089 1.458 -31.398 47 HB1 ALA 7 HB1 ALA 7 9.741 1.551 -33.218 48 HB2 ALA 7 HB2 ALA 7 8.672 0.162 -33.419 49 HB3 ALA 7 HB3 ALA 7 10.314 -0.063 -32.803 50 H LEU 8 H LEU 8 10.438 -0.966 -30.302 51 HA LEU 8 HA LEU 8 8.537 -3.117 -29.999 52 HB2 LEU 8 HB3 LEU 8 11.362 -2.791 -28.880 53 HB3 LEU 8 HB2 LEU 8 10.385 -4.234 -28.688 54 HG LEU 8 HG LEU 8 11.907 -4.742 -30.420 55 HD11 LEU 8 HD11 LEU 8 9.320 -4.005 -31.804 56 HD12 LEU 8 HD12 LEU 8 9.647 -5.489 -30.908 57 HD13 LEU 8 HD13 LEU 8 10.536 -5.147 -32.388 58 HD21 LEU 8 HD21 LEU 8 11.228 -2.142 -31.823 59 HD22 LEU 8 HD22 LEU 8 12.334 -3.389 -32.411 60 HD23 LEU 8 HD23 LEU 8 12.714 -2.497 -30.940 61 H LYS 9 H LYS 9 9.964 -0.647 -27.896 62 HA LYS 9 HA LYS 9 8.430 -1.576 -25.568 63 HB2 LYS 9 HB3 LYS 9 10.565 0.597 -25.803 64 HB3 LYS 9 HB2 LYS 9 9.698 0.205 -24.322 65 HG2 LYS 9 HG3 LYS 9 10.613 -2.165 -24.548 66 HG3 LYS 9 HG2 LYS 9 11.664 -1.539 -25.822 67 HD2 LYS 9 HD3 LYS 9 12.724 0.016 -24.251 68 HD3 LYS 9 HD2 LYS 9 11.584 -0.445 -22.981 69 HE2 LYS 9 HE3 LYS 9 12.498 -2.778 -23.095 70 HE3 LYS 9 HE2 LYS 9 13.719 -2.194 -24.229 71 HZ1 LYS 9 HZ1 LYS 9 14.611 -0.764 -22.568 72 HZ2 LYS 9 HZ2 LYS 9 14.462 -2.298 -21.881 73 HZ3 LYS 9 HZ3 LYS 9 13.346 -1.091 -21.501 74 H ARG 10 H ARG 10 6.363 -1.033 -26.392 75 HA ARG 10 HA ARG 10 5.730 1.858 -26.409 76 HB2 ARG 10 HB3 ARG 10 3.575 1.278 -27.467 77 HB3 ARG 10 HB2 ARG 10 4.940 0.812 -28.458 78 HG2 ARG 10 HG3 ARG 10 3.416 -1.170 -26.738 79 HG3 ARG 10 HG2 ARG 10 2.943 -0.783 -28.389 80 HD2 ARG 10 HD3 ARG 10 5.116 -1.590 -29.216 81 HD3 ARG 10 HD2 ARG 10 5.621 -1.959 -27.563 82 HE ARG 10 HE ARG 10 3.234 -3.329 -28.019 83 HH11 ARG 10 HH11 ARG 10 6.520 -3.393 -29.284 84 HH12 ARG 10 HH12 ARG 10 6.471 -5.079 -29.695 85 HH21 ARG 10 HH21 ARG 10 3.175 -5.552 -28.545 86 HH22 ARG 10 HH22 ARG 10 4.562 -6.307 -29.274 87 H ARG 11 H ARG 11 5.452 2.428 -24.376 88 HA ARG 11 HA ARG 11 4.412 0.793 -22.263 89 HB2 ARG 11 HB3 ARG 11 6.099 2.648 -21.978 90 HB3 ARG 11 HB2 ARG 11 4.839 3.812 -22.354 91 HG2 ARG 11 HG3 ARG 11 4.524 3.949 -20.110 92 HG3 ARG 11 HG2 ARG 11 3.699 2.398 -20.245 93 HD2 ARG 11 HD3 ARG 11 6.599 2.873 -19.504 94 HD3 ARG 11 HD2 ARG 11 5.304 2.311 -18.451 95 HE ARG 11 HE ARG 11 6.043 0.651 -20.751 96 HH11 ARG 11 HH11 ARG 11 6.191 1.102 -17.247 97 HH12 ARG 11 HH12 ARG 11 6.665 -0.539 -16.942 98 HH21 ARG 11 HH21 ARG 11 6.722 -1.471 -20.329 99 HH22 ARG 11 HH22 ARG 11 6.964 -1.985 -18.687 100 H HIS 12 H HIS 12 2.414 1.111 -21.113 101 HA HIS 12 HA HIS 12 0.441 2.989 -22.105 102 HB2 HIS 12 HB3 HIS 12 -1.294 1.366 -22.654 103 HB3 HIS 12 HB2 HIS 12 0.129 1.021 -23.631 104 HD1 HIS 12 HD1 HIS 12 -2.385 -0.735 -21.952 105 HD2 HIS 12 HD2 HIS 12 1.750 -1.155 -22.084 106 HE1 HIS 12 HE1 HIS 12 -1.920 -3.097 -21.231 107 HE2 HIS 12 HE2 HIS 12 0.556 -3.375 -21.541 108 H THR 13 H THR 13 -1.093 3.495 -20.606 109 HA THR 13 HA THR 13 -1.217 1.972 -18.066 110 HB THR 13 HB THR 13 -0.467 4.365 -17.814 111 HG1 THR 13 HG1 THR 13 -2.808 4.648 -16.515 112 HG21 THR 13 HG21 THR 13 -2.063 6.218 -18.120 113 HG22 THR 13 HG22 THR 13 -3.256 5.101 -18.784 114 HG23 THR 13 HG23 THR 13 -1.755 5.408 -19.661 115 HA PRO 14 HA PRO 14 -5.346 0.590 -19.350 116 HB2 PRO 14 HB3 PRO 14 -6.070 1.136 -16.456 117 HB3 PRO 14 HB2 PRO 14 -6.389 -0.309 -17.449 118 HG2 PRO 14 HG3 PRO 14 -4.443 -0.382 -15.685 119 HG3 PRO 14 HG2 PRO 14 -4.165 -1.065 -17.305 120 HD2 PRO 14 HD3 PRO 14 -3.235 1.579 -16.175 121 HD3 PRO 14 HD2 PRO 14 -2.357 0.419 -17.204 122 H GLU 15 H GLU 15 -7.353 1.450 -19.924 123 HA GLU 15 HA GLU 15 -7.464 4.229 -20.359 124 HB2 GLU 15 HB3 GLU 15 -9.666 2.135 -20.616 125 HB3 GLU 15 HB2 GLU 15 -9.768 3.774 -21.255 126 HG2 GLU 15 HG3 GLU 15 -7.834 3.303 -22.749 127 HG3 GLU 15 HG2 GLU 15 -7.762 1.659 -22.114 128 H ALA 16 H ALA 16 -9.438 2.160 -18.216 129 HA ALA 16 HA ALA 16 -10.722 4.457 -16.949 130 HB1 ALA 16 HB1 ALA 16 -12.067 2.773 -15.765 131 HB2 ALA 16 HB2 ALA 16 -11.108 1.477 -16.483 132 HB3 ALA 16 HB3 ALA 16 -12.098 2.519 -17.506 133 H GLU 17 H GLU 17 -8.370 1.911 -16.129 134 HA GLU 17 HA GLU 17 -7.088 1.413 -14.319 135 HB2 GLU 17 HB3 GLU 17 -7.232 4.428 -14.039 136 HB3 GLU 17 HB2 GLU 17 -6.342 3.467 -12.868 137 HG2 GLU 17 HG3 GLU 17 -4.940 2.579 -14.739 138 HG3 GLU 17 HG2 GLU 17 -5.784 3.668 -15.837 139 H ASN 18 H ASN 18 -6.998 2.510 -11.652 140 HA ASN 18 HA ASN 18 -7.997 2.609 -9.613 141 HB2 ASN 18 HB3 ASN 18 -10.589 2.920 -11.228 142 HB3 ASN 18 HB2 ASN 18 -10.455 3.205 -9.496 143 HD21 ASN 18 HD21 ASN 18 -9.899 4.515 -12.637 144 HD22 ASN 18 HD22 ASN 18 -9.314 6.060 -12.127 145 HA PRO 19 HA PRO 19 -9.787 -1.610 -8.860 146 HB2 PRO 19 HB3 PRO 19 -11.501 -1.360 -6.761 147 HB3 PRO 19 HB2 PRO 19 -9.751 -1.164 -6.554 148 HG2 PRO 19 HG3 PRO 19 -11.839 0.972 -6.881 149 HG3 PRO 19 HG2 PRO 19 -10.547 0.849 -5.663 150 HD2 PRO 19 HD3 PRO 19 -10.264 2.391 -7.866 151 HD3 PRO 19 HD2 PRO 19 -8.881 1.526 -7.155 152 H ALA 20 H ALA 20 -10.956 -0.283 -11.045 153 HA ALA 20 HA ALA 20 -13.798 -0.123 -10.912 154 HB1 ALA 20 HB1 ALA 20 -11.989 -0.355 -13.350 155 HB2 ALA 20 HB2 ALA 20 -12.517 1.143 -12.581 156 HB3 ALA 20 HB3 ALA 20 -13.700 0.099 -13.364 157 H GLU 21 H GLU 21 -11.653 -2.474 -12.570 158 HA GLU 21 HA GLU 21 -13.854 -4.319 -13.009 159 HB2 GLU 21 HB3 GLU 21 -10.897 -4.561 -13.748 160 HB3 GLU 21 HB2 GLU 21 -12.197 -5.593 -14.334 161 HG2 GLU 21 HG3 GLU 21 -13.242 -3.624 -15.451 162 HG3 GLU 21 HG2 GLU 21 -11.907 -2.618 -14.895 163 H ALA 22 H ALA 22 -10.568 -5.311 -12.004 164 HA ALA 22 HA ALA 22 -11.132 -6.218 -9.392 165 HB1 ALA 22 HB1 ALA 22 -11.306 -8.659 -9.749 166 HB2 ALA 22 HB2 ALA 22 -11.333 -8.405 -11.496 167 HB3 ALA 22 HB3 ALA 22 -12.664 -7.817 -10.501 168 H ASP 23 H ASP 23 -9.119 -4.997 -9.621 169 HA ASP 23 HA ASP 23 -6.811 -6.485 -10.737 170 HB2 ASP 23 HB3 ASP 23 -7.272 -3.482 -10.382 171 HB3 ASP 23 HB2 ASP 23 -5.754 -4.184 -10.925 172 H LEU 24 H LEU 24 -8.020 -6.675 -7.952 173 HA LEU 24 HA LEU 24 -6.691 -4.994 -6.131 174 HB2 LEU 24 HB3 LEU 24 -8.113 -7.646 -5.726 175 HB3 LEU 24 HB2 LEU 24 -7.347 -6.804 -4.391 176 HG LEU 24 HG LEU 24 -8.823 -4.793 -4.926 177 HD11 LEU 24 HD11 LEU 24 -10.869 -5.138 -6.218 178 HD12 LEU 24 HD12 LEU 24 -10.314 -6.743 -6.691 179 HD13 LEU 24 HD13 LEU 24 -9.427 -5.311 -7.218 180 HD21 LEU 24 HD21 LEU 24 -10.250 -7.326 -4.071 181 HD22 LEU 24 HD22 LEU 24 -10.775 -5.671 -3.751 182 HD23 LEU 24 HD23 LEU 24 -9.284 -6.274 -3.034 183 HA PRO 25 HA PRO 25 -2.593 -6.419 -6.184 184 HB2 PRO 25 HB3 PRO 25 -1.623 -5.474 -3.801 185 HB3 PRO 25 HB2 PRO 25 -2.109 -4.393 -5.122 186 HG2 PRO 25 HG3 PRO 25 -3.649 -5.162 -2.663 187 HG3 PRO 25 HG2 PRO 25 -3.456 -3.562 -3.414 188 HD2 PRO 25 HD3 PRO 25 -5.679 -5.093 -3.790 189 HD3 PRO 25 HD2 PRO 25 -5.073 -3.965 -5.023 190 H GLN 26 H GLN 26 -1.864 -8.422 -6.025 191 HA GLN 26 HA GLN 26 -2.434 -10.105 -3.656 192 HB2 GLN 26 HB3 GLN 26 -2.737 -10.872 -6.606 193 HB3 GLN 26 HB2 GLN 26 -2.812 -12.025 -5.277 194 HG2 GLN 26 HG3 GLN 26 -4.811 -10.940 -4.391 195 HG3 GLN 26 HG2 GLN 26 -4.693 -9.678 -5.613 196 HE21 GLN 26 HE21 GLN 26 -5.326 -10.121 -7.726 197 HE22 GLN 26 HE22 GLN 26 -6.254 -11.518 -8.148 198 H GLY 27 H GLY 27 -0.512 -10.344 -2.775 199 HA2 GLY 27 HA3 GLY 27 1.581 -11.867 -3.387 200 HA3 GLY 27 HA2 GLY 27 1.976 -10.420 -4.321 201 H ASP 28 H ASP 28 3.742 -11.128 -2.369 202 HA ASP 28 HA ASP 28 3.186 -10.112 0.231 203 HB2 ASP 28 HB3 ASP 28 5.885 -10.547 -1.123 204 HB3 ASP 28 HB2 ASP 28 5.661 -10.241 0.597 205 H ILE 29 H ILE 29 5.092 -8.789 -2.467 206 HA ILE 29 HA ILE 29 5.631 -6.281 -1.193 207 HB ILE 29 HB ILE 29 5.893 -6.918 -4.171 208 HG12 ILE 29 HG13 ILE 29 7.105 -8.665 -2.936 209 HG13 ILE 29 HG12 ILE 29 8.247 -7.590 -3.724 210 HG21 ILE 29 HG21 ILE 29 7.669 -5.212 -4.161 211 HG22 ILE 29 HG22 ILE 29 7.377 -4.901 -2.448 212 HG23 ILE 29 HG23 ILE 29 6.125 -4.533 -3.638 213 HD11 ILE 29 HD11 ILE 29 7.549 -7.586 -0.784 214 HD12 ILE 29 HD12 ILE 29 8.699 -6.499 -1.571 215 HD13 ILE 29 HD13 ILE 29 9.012 -8.232 -1.526 216 H GLU 30 H GLU 30 3.222 -7.448 -3.527 217 HA GLU 30 HA GLU 30 2.202 -4.956 -4.388 218 HB2 GLU 30 HB3 GLU 30 0.935 -7.722 -4.307 219 HB3 GLU 30 HB2 GLU 30 0.146 -6.328 -5.036 220 HG2 GLU 30 HG3 GLU 30 1.147 -7.621 -6.794 221 HG3 GLU 30 HG2 GLU 30 2.063 -6.126 -6.627 222 H LYS 31 H LYS 31 1.047 -7.205 -1.855 223 HA LYS 31 HA LYS 31 -1.110 -5.583 -0.930 224 HB2 LYS 31 HB3 LYS 31 -1.292 -7.890 -0.477 225 HB3 LYS 31 HB2 LYS 31 0.350 -8.032 0.112 226 HG2 LYS 31 HG3 LYS 31 -1.548 -6.373 1.747 227 HG3 LYS 31 HG2 LYS 31 -1.797 -8.120 1.745 228 HD2 LYS 31 HD3 LYS 31 0.376 -8.538 2.671 229 HD3 LYS 31 HD2 LYS 31 0.921 -6.891 2.343 230 HE2 LYS 31 HE3 LYS 31 -1.230 -7.630 4.358 231 HE3 LYS 31 HE2 LYS 31 0.456 -7.283 4.745 232 HZ1 LYS 31 HZ1 LYS 31 -0.992 -5.357 5.062 233 HZ2 LYS 31 HZ2 LYS 31 -1.398 -5.375 3.424 234 HZ3 LYS 31 HZ3 LYS 31 0.196 -5.060 3.896 235 H GLN 32 H GLN 32 2.302 -5.722 -0.119 236 HA GLN 32 HA GLN 32 2.181 -4.273 2.343 237 HB2 GLN 32 HB3 GLN 32 4.020 -5.780 1.847 238 HB3 GLN 32 HB2 GLN 32 4.476 -4.840 0.433 239 HG2 GLN 32 HG3 GLN 32 5.242 -3.012 1.804 240 HG3 GLN 32 HG2 GLN 32 4.564 -3.752 3.258 241 HE21 GLN 32 HE21 GLN 32 6.587 -3.748 4.305 242 HE22 GLN 32 HE22 GLN 32 7.851 -4.832 3.851 243 H VAL 33 H VAL 33 3.264 -3.313 -0.932 244 HA VAL 33 HA VAL 33 3.561 -0.550 -0.448 245 HB VAL 33 HB VAL 33 2.943 -2.030 -3.050 246 HG11 VAL 33 HG11 VAL 33 3.808 -0.055 -4.247 247 HG12 VAL 33 HG12 VAL 33 3.967 0.814 -2.720 248 HG13 VAL 33 HG13 VAL 33 2.369 0.352 -3.309 249 HG21 VAL 33 HG21 VAL 33 5.364 -1.867 -3.486 250 HG22 VAL 33 HG22 VAL 33 5.053 -2.740 -1.985 251 HG23 VAL 33 HG23 VAL 33 5.602 -1.064 -1.932 252 H ALA 34 H ALA 34 0.766 -2.507 -1.434 253 HA ALA 34 HA ALA 34 -1.096 -0.467 -1.952 254 HB1 ALA 34 HB1 ALA 34 -1.607 -3.243 -0.849 255 HB2 ALA 34 HB2 ALA 34 -1.465 -2.810 -2.552 256 HB3 ALA 34 HB3 ALA 34 -2.807 -2.179 -1.599 257 H ALA 35 H ALA 35 -0.274 -2.168 1.065 258 HA ALA 35 HA ALA 35 -2.205 -1.047 2.751 259 HB1 ALA 35 HB1 ALA 35 -0.727 -1.693 4.608 260 HB2 ALA 35 HB2 ALA 35 0.608 -1.937 3.475 261 HB3 ALA 35 HB3 ALA 35 -0.820 -2.972 3.400 262 H LEU 36 H LEU 36 1.073 0.045 1.916 263 HA LEU 36 HA LEU 36 1.183 2.310 3.608 264 HB2 LEU 36 HB3 LEU 36 2.701 1.705 1.038 265 HB3 LEU 36 HB2 LEU 36 3.101 3.016 2.136 266 HG LEU 36 HG LEU 36 3.246 0.047 2.797 267 HD11 LEU 36 HD11 LEU 36 5.018 0.756 1.258 268 HD12 LEU 36 HD12 LEU 36 5.673 0.355 2.842 269 HD13 LEU 36 HD13 LEU 36 5.490 2.047 2.368 270 HD21 LEU 36 HD21 LEU 36 2.637 1.328 4.785 271 HD22 LEU 36 HD22 LEU 36 3.987 2.432 4.522 272 HD23 LEU 36 HD23 LEU 36 4.293 0.738 4.915 273 H TRP 37 H TRP 37 0.257 1.983 0.153 274 HA TRP 37 HA TRP 37 -0.245 4.733 -0.345 275 HB2 TRP 37 HB3 TRP 37 -1.386 2.238 -1.660 276 HB3 TRP 37 HB2 TRP 37 -1.776 3.858 -2.213 277 HD1 TRP 37 HD1 TRP 37 1.864 3.167 -1.288 278 HE1 TRP 37 HE1 TRP 37 3.268 3.104 -3.437 279 HE3 TRP 37 HE3 TRP 37 -1.899 3.265 -4.748 280 HZ2 TRP 37 HZ2 TRP 37 2.860 3.077 -6.215 281 HZ3 TRP 37 HZ3 TRP 37 -1.308 3.215 -7.134 282 HH2 TRP 37 HH2 TRP 37 1.026 3.123 -7.856 283 H GLN 38 H GLN 38 -2.254 2.159 1.046 284 HA GLN 38 HA GLN 38 -4.669 3.724 1.129 285 HB2 GLN 38 HB3 GLN 38 -3.927 1.073 2.417 286 HB3 GLN 38 HB2 GLN 38 -5.507 1.828 2.632 287 HG2 GLN 38 HG3 GLN 38 -5.863 1.771 0.182 288 HG3 GLN 38 HG2 GLN 38 -4.291 1.006 -0.019 289 HE21 GLN 38 HE21 GLN 38 -5.168 -0.813 -1.017 290 HE22 GLN 38 HE22 GLN 38 -6.109 -1.985 -0.169 291 H GLN 39 H GLN 39 -1.877 3.548 3.195 292 HA GLN 39 HA GLN 39 -3.226 4.802 5.464 293 HB2 GLN 39 HB3 GLN 39 -0.209 4.608 5.016 294 HB3 GLN 39 HB2 GLN 39 -1.038 4.944 6.531 295 HG2 GLN 39 HG3 GLN 39 -0.906 2.328 5.035 296 HG3 GLN 39 HG2 GLN 39 -0.226 2.699 6.609 297 HE21 GLN 39 HE21 GLN 39 -2.166 0.617 5.661 298 HE22 GLN 39 HE22 GLN 39 -3.521 0.751 6.726 299 H LEU 40 H LEU 40 -0.583 5.810 3.234 300 HA LEU 40 HA LEU 40 -0.474 8.473 4.087 301 HB2 LEU 40 HB3 LEU 40 0.604 7.030 1.653 302 HB3 LEU 40 HB2 LEU 40 0.812 8.763 1.816 303 HG LEU 40 HG LEU 40 2.830 7.616 2.519 304 HD11 LEU 40 HD11 LEU 40 1.442 8.806 4.935 305 HD12 LEU 40 HD12 LEU 40 2.286 9.705 3.671 306 HD13 LEU 40 HD13 LEU 40 3.184 8.612 4.717 307 HD21 LEU 40 HD21 LEU 40 1.950 5.448 3.187 308 HD22 LEU 40 HD22 LEU 40 1.201 6.161 4.616 309 HD23 LEU 40 HD23 LEU 40 2.961 6.125 4.463 310 H LEU 41 H LEU 41 -2.156 7.019 1.277 311 HA LEU 41 HA LEU 41 -3.242 9.625 0.473 312 HB2 LEU 41 HB3 LEU 41 -3.887 6.926 -0.774 313 HB3 LEU 41 HB2 LEU 41 -4.131 8.513 -1.479 314 HG LEU 41 HG LEU 41 -1.509 7.086 -1.044 315 HD11 LEU 41 HD11 LEU 41 -1.307 7.159 -3.497 316 HD12 LEU 41 HD12 LEU 41 -2.911 7.891 -3.601 317 HD13 LEU 41 HD13 LEU 41 -2.724 6.256 -2.962 318 HD21 LEU 41 HD21 LEU 41 -0.412 9.031 -2.119 319 HD22 LEU 41 HD22 LEU 41 -1.116 9.420 -0.555 320 HD23 LEU 41 HD23 LEU 41 -1.938 9.915 -2.037 321 H SER 42 H SER 42 -4.125 6.936 2.414 322 HA SER 42 HA SER 42 -5.883 6.457 3.748 323 HB2 SER 42 HB3 SER 42 -6.962 9.234 3.079 324 HB3 SER 42 HB2 SER 42 -7.352 8.261 4.500 325 HG SER 42 HG SER 42 -4.654 8.742 4.105 326 H THR 43 H THR 43 -6.009 5.292 1.382 327 HA THR 43 HA THR 43 -8.545 5.877 -0.006 328 HB THR 43 HB THR 43 -7.496 4.488 -1.857 329 HG1 THR 43 HG1 THR 43 -4.963 4.566 -1.194 330 HG21 THR 43 HG21 THR 43 -7.271 6.939 -1.933 331 HG22 THR 43 HG22 THR 43 -5.793 6.170 -2.514 332 HG23 THR 43 HG23 THR 43 -5.849 6.854 -0.891 333 H GLY 44 H GLY 44 -9.853 4.116 -0.788 334 HA2 GLY 44 HA3 GLY 44 -10.351 2.017 1.115 335 HA3 GLY 44 HA2 GLY 44 -11.199 2.290 -0.399 336 H ASN 45 H ASN 45 -9.687 1.888 -2.391 337 HA ASN 45 HA ASN 45 -7.973 -0.480 -2.014 338 HB2 ASN 45 HB3 ASN 45 -10.376 -0.331 -3.887 339 HB3 ASN 45 HB2 ASN 45 -9.056 -1.467 -4.150 340 HD21 ASN 45 HD21 ASN 45 -11.788 -0.670 -2.164 341 HD22 ASN 45 HD22 ASN 45 -11.827 -2.144 -1.264 342 H VAL 46 H VAL 46 -6.164 0.801 -2.491 343 HA VAL 46 HA VAL 46 -5.775 1.607 -5.259 344 HB VAL 46 HB VAL 46 -3.318 1.657 -4.646 345 HG11 VAL 46 HG11 VAL 46 -5.138 3.257 -2.804 346 HG12 VAL 46 HG12 VAL 46 -4.696 3.685 -4.457 347 HG13 VAL 46 HG13 VAL 46 -3.461 3.653 -3.198 348 HG21 VAL 46 HG21 VAL 46 -3.316 -0.074 -2.903 349 HG22 VAL 46 HG22 VAL 46 -4.305 0.947 -1.861 350 HG23 VAL 46 HG23 VAL 46 -2.665 1.436 -2.274 351 H THR 47 H THR 47 -5.270 0.214 -6.868 352 HA THR 47 HA THR 47 -4.848 -2.648 -6.207 353 HB THR 47 HB THR 47 -6.056 -3.096 -8.367 354 HG1 THR 47 HG1 THR 47 -7.041 -0.451 -8.301 355 HG21 THR 47 HG21 THR 47 -8.313 -2.681 -7.505 356 HG22 THR 47 HG22 THR 47 -7.677 -1.529 -6.330 357 HG23 THR 47 HG23 THR 47 -7.257 -3.241 -6.207 358 H ARG 48 H ARG 48 -4.106 -3.789 -8.336 359 HA ARG 48 HA ARG 48 -1.456 -3.491 -8.787 360 HB2 ARG 48 HB3 ARG 48 -2.690 -5.450 -9.498 361 HB3 ARG 48 HB2 ARG 48 -3.663 -4.514 -10.625 362 HG2 ARG 48 HG3 ARG 48 -1.615 -4.132 -12.003 363 HG3 ARG 48 HG2 ARG 48 -0.718 -5.165 -10.901 364 HD2 ARG 48 HD3 ARG 48 -2.114 -7.084 -11.506 365 HD3 ARG 48 HD2 ARG 48 -3.103 -6.053 -12.556 366 HE ARG 48 HE ARG 48 -0.490 -5.734 -13.418 367 HH11 ARG 48 HH11 ARG 48 -2.745 -8.446 -13.221 368 HH12 ARG 48 HH12 ARG 48 -2.036 -9.283 -14.573 369 HH21 ARG 48 HH21 ARG 48 0.410 -6.821 -15.204 370 HH22 ARG 48 HH22 ARG 48 -0.247 -8.356 -15.696 371 H GLU 49 H GLU 49 -4.015 -1.982 -10.755 372 HA GLU 49 HA GLU 49 -1.977 -0.507 -12.303 373 HB2 GLU 49 HB3 GLU 49 -4.717 -1.475 -13.169 374 HB3 GLU 49 HB2 GLU 49 -3.659 -0.470 -14.145 375 HG2 GLU 49 HG3 GLU 49 -3.032 -3.276 -13.196 376 HG3 GLU 49 HG2 GLU 49 -3.552 -2.841 -14.818 377 H THR 50 H THR 50 -3.464 0.208 -9.740 378 HA THR 50 HA THR 50 -4.558 2.811 -10.475 379 HB THR 50 HB THR 50 -3.845 1.625 -7.746 380 HG1 THR 50 HG1 THR 50 -5.778 0.936 -9.296 381 HG21 THR 50 HG21 THR 50 -5.214 3.445 -6.779 382 HG22 THR 50 HG22 THR 50 -5.457 4.133 -8.385 383 HG23 THR 50 HG23 THR 50 -3.844 4.110 -7.672 384 H ASP 51 H ASP 51 -3.381 4.672 -10.523 385 HA ASP 51 HA ASP 51 -0.484 4.616 -10.055 386 HB2 ASP 51 HB3 ASP 51 -1.036 5.653 -12.123 387 HB3 ASP 51 HB2 ASP 51 -2.366 6.556 -11.424 388 H PHE 52 H PHE 52 0.527 5.788 -8.517 389 HA PHE 52 HA PHE 52 -0.680 6.357 -6.060 390 HB2 PHE 52 HB3 PHE 52 1.748 5.863 -6.404 391 HB3 PHE 52 HB2 PHE 52 1.956 7.433 -7.166 392 HD1 PHE 52 HD1 PHE 52 2.506 9.336 -5.811 393 HD2 PHE 52 HD2 PHE 52 0.957 5.803 -3.961 394 HE1 PHE 52 HE1 PHE 52 2.949 10.294 -3.587 395 HE2 PHE 52 HE2 PHE 52 1.403 6.770 -1.750 396 HZ PHE 52 HZ PHE 52 2.392 9.015 -1.560 397 H PHE 53 H PHE 53 0.382 8.557 -8.648 398 HA PHE 53 HA PHE 53 -0.100 10.968 -7.231 399 HB2 PHE 53 HB3 PHE 53 0.262 10.477 -10.215 400 HB3 PHE 53 HB2 PHE 53 0.286 12.065 -9.451 401 HD1 PHE 53 HD1 PHE 53 2.204 8.980 -10.046 402 HD2 PHE 53 HD2 PHE 53 2.181 12.722 -7.965 403 HE1 PHE 53 HE1 PHE 53 4.616 8.753 -9.605 404 HE2 PHE 53 HE2 PHE 53 4.596 12.483 -7.535 405 HZ PHE 53 HZ PHE 53 5.807 10.502 -8.353 406 H GLN 54 H GLN 54 -1.917 9.273 -9.769 407 HA GLN 54 HA GLN 54 -4.062 11.083 -10.079 408 HB2 GLN 54 HB3 GLN 54 -3.608 9.342 -11.732 409 HB3 GLN 54 HB2 GLN 54 -3.898 8.071 -10.552 410 HG2 GLN 54 HG3 GLN 54 -6.291 8.814 -10.422 411 HG3 GLN 54 HG2 GLN 54 -5.966 9.978 -11.700 412 HE21 GLN 54 HE21 GLN 54 -4.265 8.178 -13.264 413 HE22 GLN 54 HE22 GLN 54 -5.308 6.980 -13.935 414 H GLN 55 H GLN 55 -3.462 8.530 -7.750 415 HA GLN 55 HA GLN 55 -6.193 8.504 -6.717 416 HB2 GLN 55 HB3 GLN 55 -4.680 6.433 -7.082 417 HB3 GLN 55 HB2 GLN 55 -3.830 6.933 -5.626 418 HG2 GLN 55 HG3 GLN 55 -5.474 5.184 -5.138 419 HG3 GLN 55 HG2 GLN 55 -5.894 6.683 -4.316 420 HE21 GLN 55 HE21 GLN 55 -8.073 6.161 -4.110 421 HE22 GLN 55 HE22 GLN 55 -9.156 6.084 -5.451 422 H GLY 56 H GLY 56 -4.357 10.908 -6.425 423 HA2 GLY 56 HA3 GLY 56 -4.617 12.656 -4.890 424 HA3 GLY 56 HA2 GLY 56 -5.087 11.507 -3.648 425 H GLY 57 H GLY 57 -2.281 10.806 -5.505 426 HA2 GLY 57 HA3 GLY 57 -0.495 11.344 -3.239 427 HA3 GLY 57 HA2 GLY 57 -0.152 10.332 -4.634 428 H ASP 58 H ASP 58 1.544 12.294 -3.580 429 HA ASP 58 HA ASP 58 2.085 13.839 -6.001 430 HB2 ASP 58 HB3 ASP 58 0.793 15.442 -4.653 431 HB3 ASP 58 HB2 ASP 58 1.774 15.113 -3.235 432 H SER 59 H SER 59 4.374 14.760 -5.857 433 HA SER 59 HA SER 59 6.285 12.856 -5.204 434 HB2 SER 59 HB3 SER 59 7.924 14.736 -5.540 435 HB3 SER 59 HB2 SER 59 6.709 14.638 -6.816 436 HG SER 59 HG SER 59 6.827 16.455 -4.640 437 H LEU 60 H LEU 60 4.971 15.450 -3.198 438 HA LEU 60 HA LEU 60 6.789 15.406 -1.034 439 HB2 LEU 60 HB3 LEU 60 4.998 17.144 -1.572 440 HB3 LEU 60 HB2 LEU 60 3.796 16.034 -0.966 441 HG LEU 60 HG LEU 60 4.380 17.911 0.599 442 HD11 LEU 60 HD11 LEU 60 3.382 15.857 1.489 443 HD12 LEU 60 HD12 LEU 60 4.432 16.660 2.650 444 HD13 LEU 60 HD13 LEU 60 4.993 15.211 1.810 445 HD21 LEU 60 HD21 LEU 60 7.069 16.548 0.899 446 HD22 LEU 60 HD22 LEU 60 6.478 17.925 1.834 447 HD23 LEU 60 HD23 LEU 60 6.773 18.096 0.107 448 H LEU 61 H LEU 61 3.629 13.779 -1.456 449 HA LEU 61 HA LEU 61 3.717 12.178 0.898 450 HB2 LEU 61 HB3 LEU 61 2.117 11.743 -1.664 451 HB3 LEU 61 HB2 LEU 61 1.798 10.967 -0.121 452 HG LEU 61 HG LEU 61 1.506 13.942 -0.703 453 HD11 LEU 61 HD11 LEU 61 -0.909 13.556 -0.455 454 HD12 LEU 61 HD12 LEU 61 -0.625 11.824 -0.258 455 HD13 LEU 61 HD13 LEU 61 -0.237 12.618 -1.787 456 HD21 LEU 61 HD21 LEU 61 2.185 13.599 1.619 457 HD22 LEU 61 HD22 LEU 61 0.887 12.426 1.855 458 HD23 LEU 61 HD23 LEU 61 0.503 14.121 1.535 459 H ALA 62 H ALA 62 5.031 11.833 -2.287 460 HA ALA 62 HA ALA 62 5.333 8.980 -2.375 461 HB1 ALA 62 HB1 ALA 62 6.620 9.437 -4.421 462 HB2 ALA 62 HB2 ALA 62 6.619 11.164 -4.052 463 HB3 ALA 62 HB3 ALA 62 5.101 10.331 -4.402 464 H THR 63 H THR 63 7.415 11.721 -1.537 465 HA THR 63 HA THR 63 9.855 10.386 -1.108 466 HB THR 63 HB THR 63 8.708 12.873 0.267 467 HG1 THR 63 HG1 THR 63 9.048 13.684 -1.634 468 HG21 THR 63 HG21 THR 63 10.652 12.005 1.561 469 HG22 THR 63 HG22 THR 63 11.043 13.522 0.748 470 HG23 THR 63 HG23 THR 63 11.623 11.993 0.086 471 H ARG 64 H ARG 64 6.996 10.756 0.909 472 HA ARG 64 HA ARG 64 8.147 9.566 3.291 473 HB2 ARG 64 HB3 ARG 64 5.257 10.270 2.633 474 HB3 ARG 64 HB2 ARG 64 5.883 9.875 4.235 475 HG2 ARG 64 HG3 ARG 64 7.348 11.880 4.136 476 HG3 ARG 64 HG2 ARG 64 6.670 12.280 2.558 477 HD2 ARG 64 HD3 ARG 64 4.450 12.580 3.576 478 HD3 ARG 64 HD2 ARG 64 5.112 12.142 5.160 479 HE ARG 64 HE ARG 64 6.658 14.241 4.194 480 HH11 ARG 64 HH11 ARG 64 3.309 13.763 5.203 481 HH12 ARG 64 HH12 ARG 64 3.102 15.421 5.678 482 HH21 ARG 64 HH21 ARG 64 6.338 16.426 4.737 483 HH22 ARG 64 HH22 ARG 64 4.817 16.928 5.412 484 H LEU 65 H LEU 65 6.165 8.554 0.569 485 HA LEU 65 HA LEU 65 5.217 6.065 1.567 486 HB2 LEU 65 HB3 LEU 65 4.427 7.474 -0.492 487 HB3 LEU 65 HB2 LEU 65 5.737 6.725 -1.377 488 HG LEU 65 HG LEU 65 3.523 5.677 -1.806 489 HD11 LEU 65 HD11 LEU 65 5.415 3.727 -0.472 490 HD12 LEU 65 HD12 LEU 65 5.506 4.290 -2.140 491 HD13 LEU 65 HD13 LEU 65 4.126 3.330 -1.615 492 HD21 LEU 65 HD21 LEU 65 2.515 6.060 0.392 493 HD22 LEU 65 HD22 LEU 65 3.577 4.846 1.111 494 HD23 LEU 65 HD23 LEU 65 2.376 4.372 -0.092 495 H THR 66 H THR 66 7.865 6.921 -0.629 496 HA THR 66 HA THR 66 9.084 4.372 -0.792 497 HB THR 66 HB THR 66 11.004 5.645 -1.774 498 HG1 THR 66 HG1 THR 66 9.792 8.069 -1.893 499 HG21 THR 66 HG21 THR 66 9.104 5.009 -3.235 500 HG22 THR 66 HG22 THR 66 9.790 6.555 -3.736 501 HG23 THR 66 HG23 THR 66 8.278 6.517 -2.826 502 H GLY 67 H GLY 67 9.539 7.166 1.304 503 HA2 GLY 67 HA3 GLY 67 11.683 6.392 2.900 504 HA3 GLY 67 HA2 GLY 67 10.333 7.382 3.433 505 H GLN 68 H GLN 68 8.243 5.495 3.222 506 HA GLN 68 HA GLN 68 8.444 3.958 5.596 507 HB2 GLN 68 HB3 GLN 68 6.393 4.390 3.500 508 HB3 GLN 68 HB2 GLN 68 6.336 2.778 4.188 509 HG2 GLN 68 HG3 GLN 68 4.778 4.186 5.355 510 HG3 GLN 68 HG2 GLN 68 6.092 3.775 6.447 511 HE21 GLN 68 HE21 GLN 68 4.568 6.326 4.627 512 HE22 GLN 68 HE22 GLN 68 5.366 7.642 5.406 513 H LEU 69 H LEU 69 8.781 3.148 2.165 514 HA LEU 69 HA LEU 69 9.163 0.359 2.455 515 HB2 LEU 69 HB3 LEU 69 9.911 2.319 0.260 516 HB3 LEU 69 HB2 LEU 69 10.252 0.601 0.119 517 HG LEU 69 HG LEU 69 7.450 1.709 0.554 518 HD11 LEU 69 HD11 LEU 69 8.717 0.872 -2.065 519 HD12 LEU 69 HD12 LEU 69 8.305 2.519 -1.584 520 HD13 LEU 69 HD13 LEU 69 7.028 1.329 -1.818 521 HD21 LEU 69 HD21 LEU 69 7.713 -0.610 1.288 522 HD22 LEU 69 HD22 LEU 69 8.390 -1.057 -0.278 523 HD23 LEU 69 HD23 LEU 69 6.709 -0.528 -0.159 524 H HIS 70 H HIS 70 11.443 3.087 2.647 525 HA HIS 70 HA HIS 70 13.888 1.675 2.654 526 HB2 HIS 70 HB3 HIS 70 13.185 4.202 4.217 527 HB3 HIS 70 HB2 HIS 70 14.820 3.597 3.982 528 HD1 HIS 70 HD1 HIS 70 13.713 6.414 3.055 529 HD2 HIS 70 HD2 HIS 70 14.285 3.098 0.617 530 HE1 HIS 70 HE1 HIS 70 13.982 7.329 0.730 531 HE2 HIS 70 HE2 HIS 70 14.419 5.314 -0.701 532 H GLN 71 H GLN 71 11.586 2.367 5.211 533 HA GLN 71 HA GLN 71 13.075 1.225 7.388 534 HB2 GLN 71 HB3 GLN 71 10.078 1.763 7.248 535 HB3 GLN 71 HB2 GLN 71 11.065 1.646 8.704 536 HG2 GLN 71 HG3 GLN 71 12.254 3.719 8.058 537 HG3 GLN 71 HG2 GLN 71 11.277 3.816 6.597 538 HE21 GLN 71 HE21 GLN 71 10.370 5.790 7.079 539 HE22 GLN 71 HE22 GLN 71 9.269 6.046 8.389 540 H ALA 72 H ALA 72 10.902 0.007 4.962 541 HA ALA 72 HA ALA 72 10.487 -2.595 6.229 542 HB1 ALA 72 HB1 ALA 72 9.148 -3.104 4.221 543 HB2 ALA 72 HB2 ALA 72 9.642 -1.573 3.486 544 HB3 ALA 72 HB3 ALA 72 8.656 -1.577 4.948 545 H GLY 73 H GLY 73 13.066 -1.234 4.655 546 HA2 GLY 73 HA3 GLY 73 15.064 -2.220 4.030 547 HA3 GLY 73 HA2 GLY 73 14.319 -3.805 4.171 548 H TYR 74 H TYR 74 13.028 -1.213 2.210 549 HA TYR 74 HA TYR 74 13.978 -2.479 -0.297 550 HB2 TYR 74 HB3 TYR 74 11.339 -0.966 0.090 551 HB3 TYR 74 HB2 TYR 74 11.899 -1.717 -1.406 552 HD1 TYR 74 HD1 TYR 74 10.104 -2.228 1.663 553 HD2 TYR 74 HD2 TYR 74 12.211 -4.281 -1.430 554 HE1 TYR 74 HE1 TYR 74 9.063 -4.338 2.358 555 HE2 TYR 74 HE2 TYR 74 11.159 -6.387 -0.734 556 HH TYR 74 HH TYR 74 8.518 -6.563 1.313 557 H GLU 75 H GLU 75 15.028 -1.143 -1.658 558 HA GLU 75 HA GLU 75 15.364 1.670 -0.984 559 HB2 GLU 75 HB3 GLU 75 17.263 0.076 -1.658 560 HB3 GLU 75 HB2 GLU 75 16.631 0.138 -3.291 561 HG2 GLU 75 HG3 GLU 75 17.607 2.541 -1.724 562 HG3 GLU 75 HG2 GLU 75 18.584 1.645 -2.877 563 H ALA 76 H ALA 76 14.013 3.097 -1.812 564 HA ALA 76 HA ALA 76 12.768 2.849 -4.438 565 HB1 ALA 76 HB1 ALA 76 10.500 3.199 -3.530 566 HB2 ALA 76 HB2 ALA 76 11.136 3.133 -1.883 567 HB3 ALA 76 HB3 ALA 76 11.200 1.703 -2.912 568 H GLN 77 H GLN 77 12.398 4.826 -5.335 569 HA GLN 77 HA GLN 77 12.690 7.290 -3.738 570 HB2 GLN 77 HB3 GLN 77 14.845 6.342 -5.141 571 HB3 GLN 77 HB2 GLN 77 14.067 7.241 -6.427 572 HG2 GLN 77 HG3 GLN 77 14.723 8.512 -3.757 573 HG3 GLN 77 HG2 GLN 77 15.906 8.419 -5.053 574 HE21 GLN 77 HE21 GLN 77 14.616 10.747 -3.740 575 HE22 GLN 77 HE22 GLN 77 13.965 11.682 -5.037 576 H LEU 78 H LEU 78 11.814 9.198 -4.962 577 HA LEU 78 HA LEU 78 9.343 8.928 -6.169 578 HB2 LEU 78 HB3 LEU 78 10.325 10.994 -5.190 579 HB3 LEU 78 HB2 LEU 78 11.407 11.144 -6.551 580 HG LEU 78 HG LEU 78 9.348 12.710 -6.424 581 HD11 LEU 78 HD11 LEU 78 10.725 12.577 -8.427 582 HD12 LEU 78 HD12 LEU 78 9.025 12.795 -8.833 583 HD13 LEU 78 HD13 LEU 78 9.779 11.208 -9.012 584 HD21 LEU 78 HD21 LEU 78 7.243 11.876 -7.343 585 HD22 LEU 78 HD22 LEU 78 7.666 11.039 -5.854 586 HD23 LEU 78 HD23 LEU 78 7.900 10.237 -7.408 587 H SER 79 H SER 79 12.522 8.730 -7.649 588 HA SER 79 HA SER 79 11.943 8.928 -10.363 589 HB2 SER 79 HB3 SER 79 14.034 7.582 -10.675 590 HB3 SER 79 HB2 SER 79 14.234 8.891 -9.508 591 HG SER 79 HG SER 79 14.361 6.168 -9.144 592 H ASP 80 H ASP 80 11.776 6.097 -8.192 593 HA ASP 80 HA ASP 80 11.027 4.171 -10.147 594 HB2 ASP 80 HB3 ASP 80 10.527 4.226 -7.137 595 HB3 ASP 80 HB2 ASP 80 10.245 2.822 -8.158 596 H LEU 81 H LEU 81 9.102 6.141 -7.866 597 HA LEU 81 HA LEU 81 6.578 5.012 -8.469 598 HB2 LEU 81 HB3 LEU 81 7.545 7.350 -6.891 599 HB3 LEU 81 HB2 LEU 81 5.904 7.526 -7.486 600 HG LEU 81 HG LEU 81 6.872 5.195 -5.783 601 HD11 LEU 81 HD11 LEU 81 5.605 6.183 -3.960 602 HD12 LEU 81 HD12 LEU 81 5.153 7.554 -4.977 603 HD13 LEU 81 HD13 LEU 81 6.841 7.306 -4.523 604 HD21 LEU 81 HD21 LEU 81 4.483 4.622 -5.603 605 HD22 LEU 81 HD22 LEU 81 5.033 4.558 -7.274 606 HD23 LEU 81 HD23 LEU 81 4.076 5.932 -6.714 607 H PHE 82 H PHE 82 8.337 7.608 -10.031 608 HA PHE 82 HA PHE 82 6.011 8.442 -11.584 609 HB2 PHE 82 HB3 PHE 82 7.738 10.098 -10.749 610 HB3 PHE 82 HB2 PHE 82 8.893 9.399 -11.883 611 HD1 PHE 82 HD1 PHE 82 5.488 10.946 -11.728 612 HD2 PHE 82 HD2 PHE 82 8.972 10.253 -14.116 613 HE1 PHE 82 HE1 PHE 82 4.565 12.375 -13.493 614 HE2 PHE 82 HE2 PHE 82 8.043 11.691 -15.876 615 HZ PHE 82 HZ PHE 82 5.840 12.757 -15.576 616 H ASN 83 H ASN 83 9.160 6.818 -12.150 617 HA ASN 83 HA ASN 83 8.795 6.337 -14.934 618 HB2 ASN 83 HB3 ASN 83 11.014 6.264 -13.769 619 HB3 ASN 83 HB2 ASN 83 10.534 4.774 -12.970 620 HD21 ASN 83 HD21 ASN 83 11.502 6.215 -16.011 621 HD22 ASN 83 HD22 ASN 83 11.808 4.728 -16.841 622 H HIS 84 H HIS 84 7.558 4.776 -12.116 623 HA HIS 84 HA HIS 84 6.109 2.776 -13.730 624 HB2 HIS 84 HB3 HIS 84 7.346 2.161 -10.997 625 HB3 HIS 84 HB2 HIS 84 6.494 1.036 -12.045 626 HD1 HIS 84 HD1 HIS 84 7.858 -0.070 -13.942 627 HD2 HIS 84 HD2 HIS 84 10.040 2.691 -11.738 628 HE1 HIS 84 HE1 HIS 84 10.244 -0.407 -14.616 629 HE2 HIS 84 HE2 HIS 84 11.507 1.408 -13.427 630 HA PRO 85 HA PRO 85 3.352 5.615 -11.127 631 HB2 PRO 85 HB3 PRO 85 1.226 5.476 -12.962 632 HB3 PRO 85 HB2 PRO 85 2.503 6.709 -12.981 633 HG2 PRO 85 HG3 PRO 85 2.310 4.175 -14.571 634 HG3 PRO 85 HG2 PRO 85 2.801 5.800 -15.099 635 HD2 PRO 85 HD3 PRO 85 4.640 3.933 -14.629 636 HD3 PRO 85 HD2 PRO 85 4.935 5.613 -14.131 637 H ARG 86 H ARG 86 2.367 2.605 -12.821 638 HA ARG 86 HA ARG 86 0.145 2.070 -11.101 639 HB2 ARG 86 HB3 ARG 86 1.620 0.300 -13.085 640 HB3 ARG 86 HB2 ARG 86 0.272 -0.290 -12.120 641 HG2 ARG 86 HG3 ARG 86 -0.862 0.264 -14.026 642 HG3 ARG 86 HG2 ARG 86 -0.985 1.802 -13.181 643 HD2 ARG 86 HD3 ARG 86 -0.422 2.215 -15.497 644 HD3 ARG 86 HD2 ARG 86 0.985 2.613 -14.506 645 HE ARG 86 HE ARG 86 0.669 0.186 -16.176 646 HH11 ARG 86 HH11 ARG 86 2.803 2.437 -14.527 647 HH12 ARG 86 HH12 ARG 86 4.248 1.725 -15.169 648 HH21 ARG 86 HH21 ARG 86 2.596 -0.758 -16.975 649 HH22 ARG 86 HH22 ARG 86 4.132 -0.068 -16.542 650 H LEU 87 H LEU 87 -0.080 0.472 -9.509 651 HA LEU 87 HA LEU 87 1.871 0.569 -7.517 652 HB2 LEU 87 HB3 LEU 87 -0.632 0.303 -7.298 653 HB3 LEU 87 HB2 LEU 87 -0.450 -1.390 -7.701 654 HG LEU 87 HG LEU 87 0.888 -0.154 -5.249 655 HD11 LEU 87 HD11 LEU 87 -1.860 -1.442 -5.373 656 HD12 LEU 87 HD12 LEU 87 -1.513 0.265 -5.080 657 HD13 LEU 87 HD13 LEU 87 -1.006 -0.945 -3.908 658 HD21 LEU 87 HD21 LEU 87 0.876 -2.456 -4.358 659 HD22 LEU 87 HD22 LEU 87 1.787 -2.351 -5.861 660 HD23 LEU 87 HD23 LEU 87 0.165 -3.042 -5.865 661 H ALA 88 H ALA 88 0.999 -2.108 -9.730 662 HA ALA 88 HA ALA 88 2.719 -4.015 -8.375 663 HB1 ALA 88 HB1 ALA 88 2.062 -5.577 -10.136 664 HB2 ALA 88 HB2 ALA 88 1.302 -4.265 -11.048 665 HB3 ALA 88 HB3 ALA 88 0.658 -4.746 -9.476 666 H ASP 89 H ASP 89 2.962 -1.883 -11.144 667 HA ASP 89 HA ASP 89 5.353 -3.014 -12.256 668 HB2 ASP 89 HB3 ASP 89 3.706 -1.601 -13.546 669 HB3 ASP 89 HB2 ASP 89 4.221 -0.197 -12.612 670 H PHE 90 H PHE 90 4.609 -0.506 -9.921 671 HA PHE 90 HA PHE 90 7.279 0.384 -9.387 672 HB2 PHE 90 HB3 PHE 90 5.391 1.830 -8.855 673 HB3 PHE 90 HB2 PHE 90 4.659 0.597 -7.836 674 HD1 PHE 90 HD1 PHE 90 7.970 2.409 -8.049 675 HD2 PHE 90 HD2 PHE 90 4.781 1.032 -5.549 676 HE1 PHE 90 HE1 PHE 90 9.067 3.397 -6.077 677 HE2 PHE 90 HE2 PHE 90 5.890 2.023 -3.592 678 HZ PHE 90 HZ PHE 90 8.035 3.205 -3.856 679 H ALA 91 H ALA 91 5.121 -2.059 -7.992 680 HA ALA 91 HA ALA 91 6.760 -2.837 -5.792 681 HB1 ALA 91 HB1 ALA 91 5.220 -4.756 -5.622 682 HB2 ALA 91 HB2 ALA 91 4.545 -4.370 -7.208 683 HB3 ALA 91 HB3 ALA 91 4.330 -3.251 -5.861 684 H ALA 92 H ALA 92 6.613 -3.695 -9.161 685 HA ALA 92 HA ALA 92 8.177 -6.084 -9.105 686 HB1 ALA 92 HB1 ALA 92 7.595 -4.166 -11.390 687 HB2 ALA 92 HB2 ALA 92 6.632 -5.571 -10.932 688 HB3 ALA 92 HB3 ALA 92 8.265 -5.795 -11.557 689 H THR 93 H THR 93 8.937 -2.643 -9.416 690 HA THR 93 HA THR 93 11.701 -3.145 -10.216 691 HB THR 93 HB THR 93 10.313 -1.281 -11.243 692 HG1 THR 93 HG1 THR 93 12.901 -1.069 -10.253 693 HG21 THR 93 HG21 THR 93 10.155 0.858 -10.071 694 HG22 THR 93 HG22 THR 93 10.850 0.142 -8.618 695 HG23 THR 93 HG23 THR 93 9.267 -0.387 -9.193 696 H LEU 94 H LEU 94 10.095 -2.977 -7.251 697 HA LEU 94 HA LEU 94 11.950 -1.504 -5.690 698 HB2 LEU 94 HB3 LEU 94 9.971 -3.642 -4.856 699 HB3 LEU 94 HB2 LEU 94 10.949 -2.739 -3.710 700 HG LEU 94 HG LEU 94 8.754 -1.658 -5.508 701 HD11 LEU 94 HD11 LEU 94 7.705 -0.991 -3.395 702 HD12 LEU 94 HD12 LEU 94 9.022 -1.742 -2.491 703 HD13 LEU 94 HD13 LEU 94 7.952 -2.733 -3.487 704 HD21 LEU 94 HD21 LEU 94 10.566 -0.033 -5.545 705 HD22 LEU 94 HD22 LEU 94 10.667 -0.055 -3.782 706 HD23 LEU 94 HD23 LEU 94 9.222 0.574 -4.579 707 H ARG 95 H ARG 95 13.926 -1.962 -5.166 708 HA ARG 95 HA ARG 95 15.032 -4.690 -5.330 709 HB2 ARG 95 HB3 ARG 95 16.396 -1.984 -4.935 710 HB3 ARG 95 HB2 ARG 95 17.213 -3.516 -5.233 711 HG2 ARG 95 HG3 ARG 95 16.692 -3.537 -7.490 712 HG3 ARG 95 HG2 ARG 95 15.202 -2.614 -7.278 713 HD2 ARG 95 HD3 ARG 95 18.021 -1.481 -7.121 714 HD3 ARG 95 HD2 ARG 95 16.905 -1.297 -8.475 715 HE ARG 95 HE ARG 95 16.811 0.084 -5.907 716 HH11 ARG 95 HH11 ARG 95 15.091 -0.579 -8.914 717 HH12 ARG 95 HH12 ARG 95 14.014 0.769 -8.725 718 HH21 ARG 95 HH21 ARG 95 15.339 1.798 -5.655 719 HH22 ARG 95 HH22 ARG 95 14.151 2.104 -6.893 720 H LYS 96 H LYS 96 15.486 -5.820 -3.460 721 HA LYS 96 HA LYS 96 14.746 -4.733 -0.906 722 HB2 LYS 96 HB3 LYS 96 15.971 -7.414 -1.679 723 HB3 LYS 96 HB2 LYS 96 15.572 -6.982 -0.017 724 HG2 LYS 96 HG3 LYS 96 13.190 -6.566 -0.821 725 HG3 LYS 96 HG2 LYS 96 13.658 -7.328 -2.345 726 HD2 LYS 96 HD3 LYS 96 14.135 -9.430 -1.209 727 HD3 LYS 96 HD2 LYS 96 13.917 -8.679 0.374 728 HE2 LYS 96 HE3 LYS 96 11.517 -8.253 -0.218 729 HE3 LYS 96 HE2 LYS 96 11.765 -9.154 -1.715 730 HZ1 LYS 96 HZ1 LYS 96 12.107 -10.238 1.032 731 HZ2 LYS 96 HZ2 LYS 96 12.323 -11.105 -0.404 732 HZ3 LYS 96 HZ3 LYS 96 10.793 -10.530 0.012 733 H THR 97 H THR 97 15.979 -3.487 0.268 734 HA THR 97 HA THR 97 18.762 -3.036 -0.149 735 HB THR 97 HB THR 97 16.979 -2.111 2.160 736 HG1 THR 97 HG1 THR 97 16.666 -1.567 -0.328 737 HG21 THR 97 HG21 THR 97 19.582 -0.929 1.099 738 HG22 THR 97 HG22 THR 97 19.405 -1.793 2.630 739 HG23 THR 97 HG23 THR 97 18.580 -0.254 2.384 740 H ASP 98 H ASP 98 20.430 -4.051 0.776 741 HA ASP 98 HA ASP 98 20.261 -6.171 2.651 742 HB2 ASP 98 HB3 ASP 98 22.079 -5.900 0.963 743 HB3 ASP 98 HB2 ASP 98 22.635 -4.451 1.785 744 H VAL 99 H VAL 99 19.525 -5.752 4.669 745 HA VAL 99 HA VAL 99 19.513 -3.100 5.780 746 HB VAL 99 HB VAL 99 18.212 -4.119 7.666 747 HG11 VAL 99 HG11 VAL 99 17.219 -4.874 4.886 748 HG12 VAL 99 HG12 VAL 99 17.020 -3.310 5.682 749 HG13 VAL 99 HG13 VAL 99 16.219 -4.736 6.338 750 HG21 VAL 99 HG21 VAL 99 17.537 -6.492 7.564 751 HG22 VAL 99 HG22 VAL 99 19.284 -6.334 7.744 752 HG23 VAL 99 HG23 VAL 99 18.596 -6.743 6.171 753 HA PRO 100 HA PRO 100 23.041 -2.626 8.440 754 HB2 PRO 100 HB3 PRO 100 21.042 -2.492 10.721 755 HB3 PRO 100 HB2 PRO 100 22.456 -1.457 10.400 756 HG2 PRO 100 HG3 PRO 100 20.048 -0.593 9.751 757 HG3 PRO 100 HG2 PRO 100 21.411 -0.332 8.637 758 HD2 PRO 100 HD3 PRO 100 19.133 -2.267 8.407 759 HD3 PRO 100 HD2 PRO 100 20.047 -1.437 7.128 760 H VAL 101 H VAL 101 20.624 -4.841 9.927 761 HA VAL 101 HA VAL 101 22.584 -6.349 11.357 762 HB VAL 101 HB VAL 101 20.377 -6.420 12.231 763 HG11 VAL 101 HG11 VAL 101 19.357 -7.607 9.638 764 HG12 VAL 101 HG12 VAL 101 19.066 -5.969 10.220 765 HG13 VAL 101 HG13 VAL 101 18.406 -7.344 11.106 766 HG21 VAL 101 HG21 VAL 101 19.946 -8.840 12.467 767 HG22 VAL 101 HG22 VAL 101 21.673 -8.483 12.541 768 HG23 VAL 101 HG23 VAL 101 20.979 -9.161 11.070 769 H GLU 102 H GLU 102 24.181 -7.222 10.297 770 HA GLU 102 HA GLU 102 24.296 -7.714 7.540 771 HB2 GLU 102 HB3 GLU 102 26.238 -7.098 8.954 772 HB3 GLU 102 HB2 GLU 102 26.195 -8.683 9.722 773 HG2 GLU 102 HG3 GLU 102 26.726 -9.747 7.556 774 HG3 GLU 102 HG2 GLU 102 26.721 -8.167 6.773 775 H GLN 103 H GLN 103 24.676 -9.613 6.362 776 HA GLN 103 HA GLN 103 24.122 -11.610 5.522 777 HB2 GLN 103 HB3 GLN 103 24.278 -12.593 8.411 778 HB3 GLN 103 HB2 GLN 103 24.332 -13.618 6.979 779 HG2 GLN 103 HG3 GLN 103 26.470 -12.745 6.316 780 HG3 GLN 103 HG2 GLN 103 26.390 -11.452 7.509 781 HE21 GLN 103 HE21 GLN 103 26.763 -11.951 9.699 782 HE22 GLN 103 HE22 GLN 103 27.605 -13.388 10.162 783 HA PRO 104 HA PRO 104 19.682 -10.689 7.114 784 HB2 PRO 104 HB3 PRO 104 19.172 -9.531 4.404 785 HB3 PRO 104 HB2 PRO 104 18.901 -8.805 6.001 786 HG2 PRO 104 HG3 PRO 104 20.860 -7.910 4.414 787 HG3 PRO 104 HG2 PRO 104 21.082 -8.013 6.179 788 HD2 PRO 104 HD3 PRO 104 22.015 -9.955 4.055 789 HD3 PRO 104 HD2 PRO 104 22.928 -9.244 5.411 790 H PHE 105 H PHE 105 20.605 -11.615 3.825 791 HA PHE 105 HA PHE 105 18.655 -13.850 3.787 792 HB2 PHE 105 HB3 PHE 105 18.817 -13.648 1.282 793 HB3 PHE 105 HB2 PHE 105 18.132 -12.230 2.050 794 HD1 PHE 105 HD1 PHE 105 19.419 -10.086 2.119 795 HD2 PHE 105 HD2 PHE 105 20.933 -13.518 0.056 796 HE1 PHE 105 HE1 PHE 105 21.018 -8.659 0.905 797 HE2 PHE 105 HE2 PHE 105 22.530 -12.085 -1.145 798 HZ PHE 105 HZ PHE 105 22.575 -9.659 -0.722 799 H VAL 106 H VAL 106 21.208 -13.903 5.088 800 HA VAL 106 HA VAL 106 23.185 -14.916 5.325 801 HB VAL 106 HB VAL 106 22.407 -16.762 3.016 802 HG11 VAL 106 HG11 VAL 106 24.071 -18.338 3.960 803 HG12 VAL 106 HG12 VAL 106 24.514 -17.143 5.180 804 HG13 VAL 106 HG13 VAL 106 24.827 -16.817 3.476 805 HG21 VAL 106 HG21 VAL 106 21.663 -18.369 4.734 806 HG22 VAL 106 HG22 VAL 106 20.733 -16.873 4.824 807 HG23 VAL 106 HG23 VAL 106 22.009 -17.188 6.000 808 H HIS 107 H HIS 107 24.672 -13.348 4.801 809 HA HIS 107 HA HIS 107 25.404 -12.691 2.105 810 HB2 HIS 107 HB3 HIS 107 25.780 -11.067 3.971 811 HB3 HIS 107 HB2 HIS 107 26.961 -12.168 4.678 812 HD1 HIS 107 HD1 HIS 107 26.587 -9.507 2.137 813 HD2 HIS 107 HD2 HIS 107 29.416 -12.390 3.121 814 HE1 HIS 107 HE1 HIS 107 28.680 -8.863 0.899 815 HE2 HIS 107 HE2 HIS 107 30.383 -10.588 1.561 816 H SER 108 H SER 108 25.989 -14.457 1.002 817 HA SER 108 HA SER 108 27.638 -16.583 1.865 818 HB2 SER 108 HB3 SER 108 27.202 -15.574 -0.981 819 HB3 SER 108 HB2 SER 108 27.661 -17.208 -0.498 820 HG SER 108 HG SER 108 25.541 -17.021 0.769 821 HA PRO 109 HA PRO 109 31.843 -14.753 1.311 822 HB2 PRO 109 HB3 PRO 109 33.099 -17.063 0.293 823 HB3 PRO 109 HB2 PRO 109 32.903 -16.701 2.016 824 HG2 PRO 109 HG3 PRO 109 31.215 -18.458 0.273 825 HG3 PRO 109 HG2 PRO 109 31.782 -18.737 1.937 826 HD2 PRO 109 HD3 PRO 109 29.269 -17.945 1.495 827 HD3 PRO 109 HD2 PRO 109 30.180 -17.282 2.867 828 H GLU 110 H GLU 110 32.194 -13.436 -0.383 829 HA GLU 110 HA GLU 110 30.778 -13.496 -2.774 830 HB2 GLU 110 HB3 GLU 110 33.374 -12.027 -2.173 831 HB3 GLU 110 HB2 GLU 110 32.358 -11.713 -3.578 832 HG2 GLU 110 HG3 GLU 110 30.495 -11.062 -2.047 833 HG3 GLU 110 HG2 GLU 110 31.576 -11.315 -0.675 834 H ASP 111 H ASP 111 34.216 -14.285 -2.260 835 HA ASP 111 HA ASP 111 34.199 -16.542 -3.956 836 HB2 ASP 111 HB3 ASP 111 35.795 -15.786 -5.718 837 HB3 ASP 111 HB2 ASP 111 34.243 -14.974 -5.825 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -3.401 -0.688 -28.171 2 H2 GLY 1 H2 GLY 1 -4.498 0.459 -27.595 3 H3 GLY 1 H3 GLY 1 -5.010 -0.724 -28.684 4 HA2 GLY 1 HA2 GLY 1 -5.765 -1.284 -26.495 5 HA3 GLY 1 HA3 GLY 1 -4.574 -2.450 -27.048 6 H THR 2 H THR 2 -2.824 0.289 -26.408 7 HA THR 2 HA THR 2 -1.926 -0.705 -23.812 8 HB THR 2 HB THR 2 -0.172 1.170 -24.102 9 HG1 THR 2 HG1 THR 2 -0.059 2.140 -26.103 10 HG21 THR 2 HG21 THR 2 -0.304 -0.970 -26.266 11 HG22 THR 2 HG22 THR 2 0.348 -1.190 -24.638 12 HG23 THR 2 HG23 THR 2 1.142 -0.091 -25.768 13 H ILE 3 H ILE 3 -1.450 0.927 -22.039 14 HA ILE 3 HA ILE 3 -3.838 2.338 -21.325 15 HB ILE 3 HB ILE 3 -2.492 3.068 -19.257 16 HG12 ILE 3 HG13 ILE 3 -0.375 1.164 -20.380 17 HG13 ILE 3 HG12 ILE 3 -0.201 2.910 -20.270 18 HG21 ILE 3 HG21 ILE 3 -2.572 0.839 -18.199 19 HG22 ILE 3 HG22 ILE 3 -2.682 0.081 -19.789 20 HG23 ILE 3 HG23 ILE 3 -3.990 1.116 -19.215 21 HD11 ILE 3 HD11 ILE 3 1.008 1.823 -18.484 22 HD12 ILE 3 HD12 ILE 3 -0.454 0.998 -17.943 23 HD13 ILE 3 HD13 ILE 3 -0.330 2.755 -17.815 24 H ASP 4 H ASP 4 -4.238 3.983 -22.725 25 HA ASP 4 HA ASP 4 -2.412 5.996 -23.555 26 HB2 ASP 4 HB3 ASP 4 -4.432 5.588 -24.861 27 HB3 ASP 4 HB2 ASP 4 -5.459 5.988 -23.486 28 H TYR 5 H TYR 5 -1.879 7.908 -22.677 29 HA TYR 5 HA TYR 5 -1.896 8.150 -19.879 30 HB2 TYR 5 HB3 TYR 5 -1.085 10.180 -22.008 31 HB3 TYR 5 HB2 TYR 5 -0.715 10.335 -20.292 32 HD1 TYR 5 HD1 TYR 5 1.015 8.945 -19.248 33 HD2 TYR 5 HD2 TYR 5 0.085 8.463 -23.392 34 HE1 TYR 5 HE1 TYR 5 3.047 7.596 -19.549 35 HE2 TYR 5 HE2 TYR 5 2.116 7.115 -23.695 36 HH TYR 5 HH TYR 5 3.954 5.938 -21.052 37 H GLN 6 H GLN 6 -3.966 9.637 -22.312 38 HA GLN 6 HA GLN 6 -5.133 11.544 -20.425 39 HB2 GLN 6 HB3 GLN 6 -5.755 11.007 -23.357 40 HB3 GLN 6 HB2 GLN 6 -6.486 12.283 -22.390 41 HG2 GLN 6 HG3 GLN 6 -3.548 12.048 -23.092 42 HG3 GLN 6 HG2 GLN 6 -4.703 13.169 -23.809 43 HE21 GLN 6 HE21 GLN 6 -5.456 14.922 -22.542 44 HE22 GLN 6 HE22 GLN 6 -4.617 15.456 -21.132 45 H ALA 7 H ALA 7 -5.993 8.494 -22.012 46 HA ALA 7 HA ALA 7 -8.740 8.432 -21.198 47 HB1 ALA 7 HB1 ALA 7 -6.923 6.128 -22.002 48 HB2 ALA 7 HB2 ALA 7 -7.905 7.101 -23.099 49 HB3 ALA 7 HB3 ALA 7 -8.687 6.075 -21.897 50 H LEU 8 H LEU 8 -5.712 7.459 -19.755 51 HA LEU 8 HA LEU 8 -6.791 6.134 -17.434 52 HB2 LEU 8 HB3 LEU 8 -4.527 5.632 -18.244 53 HB3 LEU 8 HB2 LEU 8 -4.051 7.312 -18.066 54 HG LEU 8 HG LEU 8 -4.220 7.103 -15.585 55 HD11 LEU 8 HD11 LEU 8 -4.495 4.922 -14.504 56 HD12 LEU 8 HD12 LEU 8 -4.836 4.181 -16.069 57 HD13 LEU 8 HD13 LEU 8 -5.938 5.388 -15.405 58 HD21 LEU 8 HD21 LEU 8 -2.424 5.015 -16.861 59 HD22 LEU 8 HD22 LEU 8 -2.232 5.693 -15.242 60 HD23 LEU 8 HD23 LEU 8 -2.055 6.731 -16.655 61 H LYS 9 H LYS 9 -5.715 9.384 -18.282 62 HA LYS 9 HA LYS 9 -5.891 10.477 -15.635 63 HB2 LYS 9 HB3 LYS 9 -4.311 11.296 -17.382 64 HB3 LYS 9 HB2 LYS 9 -5.675 11.924 -18.295 65 HG2 LYS 9 HG3 LYS 9 -6.200 13.473 -16.424 66 HG3 LYS 9 HG2 LYS 9 -4.830 12.834 -15.517 67 HD2 LYS 9 HD3 LYS 9 -4.633 14.268 -18.197 68 HD3 LYS 9 HD2 LYS 9 -4.340 15.015 -16.629 69 HE2 LYS 9 HE3 LYS 9 -2.194 14.515 -17.529 70 HE3 LYS 9 HE2 LYS 9 -2.480 13.295 -16.294 71 HZ1 LYS 9 HZ1 LYS 9 -2.923 12.857 -19.196 72 HZ2 LYS 9 HZ2 LYS 9 -2.948 11.683 -17.977 73 HZ3 LYS 9 HZ3 LYS 9 -1.503 12.448 -18.383 74 H ARG 10 H ARG 10 -7.923 10.352 -14.812 75 HA ARG 10 HA ARG 10 -9.837 12.283 -15.770 76 HB2 ARG 10 HB3 ARG 10 -10.303 10.035 -17.019 77 HB3 ARG 10 HB2 ARG 10 -10.859 9.422 -15.468 78 HG2 ARG 10 HG3 ARG 10 -12.722 10.200 -16.898 79 HG3 ARG 10 HG2 ARG 10 -12.632 11.130 -15.396 80 HD2 ARG 10 HD3 ARG 10 -11.621 13.004 -16.534 81 HD3 ARG 10 HD2 ARG 10 -11.390 12.064 -18.009 82 HE ARG 10 HE ARG 10 -14.126 12.120 -17.479 83 HH11 ARG 10 HH11 ARG 10 -11.578 14.418 -18.280 84 HH12 ARG 10 HH12 ARG 10 -12.643 15.515 -19.092 85 HH21 ARG 10 HH21 ARG 10 -15.507 13.532 -18.605 86 HH22 ARG 10 HH22 ARG 10 -14.887 15.006 -19.280 87 H ARG 11 H ARG 11 -8.909 9.771 -13.496 88 HA ARG 11 HA ARG 11 -9.333 9.298 -11.346 89 HB2 ARG 11 HB3 ARG 11 -9.884 12.290 -11.158 90 HB3 ARG 11 HB2 ARG 11 -9.786 11.220 -9.759 91 HG2 ARG 11 HG3 ARG 11 -7.442 10.647 -10.420 92 HG3 ARG 11 HG2 ARG 11 -7.550 11.841 -11.716 93 HD2 ARG 11 HD3 ARG 11 -7.913 13.620 -10.055 94 HD3 ARG 11 HD2 ARG 11 -7.853 12.428 -8.748 95 HE ARG 11 HE ARG 11 -5.489 12.143 -10.153 96 HH11 ARG 11 HH11 ARG 11 -7.060 14.698 -8.334 97 HH12 ARG 11 HH12 ARG 11 -5.573 15.438 -7.848 98 HH21 ARG 11 HH21 ARG 11 -3.517 13.122 -9.510 99 HH22 ARG 11 HH22 ARG 11 -3.559 14.543 -8.515 100 H HIS 12 H HIS 12 -11.351 9.005 -13.302 101 HA HIS 12 HA HIS 12 -13.955 9.588 -12.402 102 HB2 HIS 12 HB3 HIS 12 -13.451 8.841 -14.712 103 HB3 HIS 12 HB2 HIS 12 -12.943 7.271 -14.112 104 HD1 HIS 12 HD1 HIS 12 -14.718 6.060 -15.537 105 HD2 HIS 12 HD2 HIS 12 -16.346 8.783 -12.857 106 HE1 HIS 12 HE1 HIS 12 -17.195 5.648 -15.566 107 HE2 HIS 12 HE2 HIS 12 -18.132 7.243 -13.875 108 H THR 13 H THR 13 -14.491 9.106 -10.363 109 HA THR 13 HA THR 13 -13.302 7.357 -8.629 110 HB THR 13 HB THR 13 -16.184 8.353 -8.504 111 HG1 THR 13 HG1 THR 13 -14.732 9.863 -6.985 112 HG21 THR 13 HG21 THR 13 -14.323 7.459 -6.260 113 HG22 THR 13 HG22 THR 13 -15.768 6.608 -6.811 114 HG23 THR 13 HG23 THR 13 -15.911 8.186 -6.035 115 HA PRO 14 HA PRO 14 -15.083 3.535 -10.370 116 HB2 PRO 14 HB3 PRO 14 -13.220 1.804 -9.487 117 HB3 PRO 14 HB2 PRO 14 -12.794 3.036 -10.694 118 HG2 PRO 14 HG3 PRO 14 -12.227 3.020 -7.752 119 HG3 PRO 14 HG2 PRO 14 -11.190 3.544 -9.094 120 HD2 PRO 14 HD3 PRO 14 -12.736 5.254 -7.498 121 HD3 PRO 14 HD2 PRO 14 -12.064 5.666 -9.091 122 H GLU 15 H GLU 15 -16.394 4.630 -8.150 123 HA GLU 15 HA GLU 15 -16.677 2.756 -5.994 124 HB2 GLU 15 HB3 GLU 15 -17.144 5.236 -5.811 125 HB3 GLU 15 HB2 GLU 15 -18.530 5.032 -6.871 126 HG2 GLU 15 HG3 GLU 15 -19.245 5.198 -4.542 127 HG3 GLU 15 HG2 GLU 15 -19.619 3.602 -5.192 128 H ALA 16 H ALA 16 -16.890 0.866 -7.281 129 HA ALA 16 HA ALA 16 -19.411 -0.119 -8.066 130 HB1 ALA 16 HB1 ALA 16 -19.111 -0.128 -10.535 131 HB2 ALA 16 HB2 ALA 16 -17.638 0.832 -10.366 132 HB3 ALA 16 HB3 ALA 16 -19.198 1.519 -9.911 133 H GLU 17 H GLU 17 -18.870 -2.078 -9.759 134 HA GLU 17 HA GLU 17 -16.476 -3.527 -8.773 135 HB2 GLU 17 HB3 GLU 17 -19.088 -4.621 -9.917 136 HB3 GLU 17 HB2 GLU 17 -17.725 -5.599 -9.380 137 HG2 GLU 17 HG3 GLU 17 -18.034 -4.753 -7.068 138 HG3 GLU 17 HG2 GLU 17 -19.405 -3.787 -7.609 139 H ASN 18 H ASN 18 -15.810 -1.770 -10.532 140 HA ASN 18 HA ASN 18 -15.797 -2.709 -13.291 141 HB2 ASN 18 HB3 ASN 18 -14.553 -0.338 -11.823 142 HB3 ASN 18 HB2 ASN 18 -14.156 -0.689 -13.498 143 HD21 ASN 18 HD21 ASN 18 -17.420 -1.179 -12.234 144 HD22 ASN 18 HD22 ASN 18 -18.124 0.138 -13.094 145 HA PRO 19 HA PRO 19 -11.664 -4.778 -13.253 146 HB2 PRO 19 HB3 PRO 19 -10.765 -2.817 -15.362 147 HB3 PRO 19 HB2 PRO 19 -10.683 -4.594 -15.365 148 HG2 PRO 19 HG3 PRO 19 -12.507 -3.365 -16.849 149 HG3 PRO 19 HG2 PRO 19 -12.937 -4.841 -15.952 150 HD2 PRO 19 HD3 PRO 19 -13.560 -1.968 -15.259 151 HD3 PRO 19 HD2 PRO 19 -14.600 -3.405 -15.143 152 H ALA 20 H ALA 20 -11.320 -3.969 -11.176 153 HA ALA 20 HA ALA 20 -9.023 -2.366 -10.705 154 HB1 ALA 20 HB1 ALA 20 -10.079 -0.559 -9.374 155 HB2 ALA 20 HB2 ALA 20 -11.682 -1.150 -9.824 156 HB3 ALA 20 HB3 ALA 20 -10.607 -0.492 -11.057 157 H GLU 21 H GLU 21 -12.098 -3.139 -8.995 158 HA GLU 21 HA GLU 21 -10.718 -3.825 -6.565 159 HB2 GLU 21 HB3 GLU 21 -13.644 -3.999 -7.363 160 HB3 GLU 21 HB2 GLU 21 -13.053 -4.420 -5.758 161 HG2 GLU 21 HG3 GLU 21 -12.843 -1.701 -7.080 162 HG3 GLU 21 HG2 GLU 21 -13.948 -2.148 -5.784 163 H ALA 22 H ALA 22 -11.946 -5.738 -9.248 164 HA ALA 22 HA ALA 22 -11.401 -8.284 -7.933 165 HB1 ALA 22 HB1 ALA 22 -12.009 -7.648 -10.839 166 HB2 ALA 22 HB2 ALA 22 -13.182 -8.131 -9.617 167 HB3 ALA 22 HB3 ALA 22 -11.936 -9.267 -10.136 168 H ASP 23 H ASP 23 -9.607 -5.865 -9.414 169 HA ASP 23 HA ASP 23 -7.283 -7.546 -10.106 170 HB2 ASP 23 HB3 ASP 23 -7.815 -4.556 -10.531 171 HB3 ASP 23 HB2 ASP 23 -6.388 -5.423 -11.087 172 H LEU 24 H LEU 24 -8.278 -7.023 -7.338 173 HA LEU 24 HA LEU 24 -6.776 -5.146 -5.931 174 HB2 LEU 24 HB3 LEU 24 -7.323 -6.477 -3.909 175 HB3 LEU 24 HB2 LEU 24 -8.705 -6.175 -4.938 176 HG LEU 24 HG LEU 24 -8.319 -8.606 -5.839 177 HD11 LEU 24 HD11 LEU 24 -7.309 -10.182 -4.227 178 HD12 LEU 24 HD12 LEU 24 -6.751 -8.821 -3.252 179 HD13 LEU 24 HD13 LEU 24 -6.124 -9.054 -4.883 180 HD21 LEU 24 HD21 LEU 24 -9.697 -9.556 -4.062 181 HD22 LEU 24 HD22 LEU 24 -10.243 -7.936 -4.491 182 HD23 LEU 24 HD23 LEU 24 -9.313 -8.188 -3.013 183 HA PRO 25 HA PRO 25 -2.586 -6.339 -5.991 184 HB2 PRO 25 HB3 PRO 25 -2.346 -5.917 -3.024 185 HB3 PRO 25 HB2 PRO 25 -1.487 -5.116 -4.362 186 HG2 PRO 25 HG3 PRO 25 -3.387 -3.803 -3.077 187 HG3 PRO 25 HG2 PRO 25 -3.268 -3.683 -4.847 188 HD2 PRO 25 HD3 PRO 25 -5.160 -5.375 -3.202 189 HD3 PRO 25 HD2 PRO 25 -5.506 -4.329 -4.603 190 H GLN 26 H GLN 26 -1.700 -8.255 -6.213 191 HA GLN 26 HA GLN 26 -2.232 -10.454 -4.299 192 HB2 GLN 26 HB3 GLN 26 -2.098 -10.540 -7.350 193 HB3 GLN 26 HB2 GLN 26 -2.075 -11.977 -6.334 194 HG2 GLN 26 HG3 GLN 26 -4.316 -11.384 -5.473 195 HG3 GLN 26 HG2 GLN 26 -4.343 -9.978 -6.530 196 HE21 GLN 26 HE21 GLN 26 -3.124 -11.325 -8.830 197 HE22 GLN 26 HE22 GLN 26 -4.322 -12.407 -9.437 198 H GLY 27 H GLY 27 -0.382 -10.904 -3.296 199 HA2 GLY 27 HA3 GLY 27 1.837 -12.038 -3.738 200 HA3 GLY 27 HA2 GLY 27 2.223 -10.631 -4.733 201 H ASP 28 H ASP 28 3.749 -11.437 -2.501 202 HA ASP 28 HA ASP 28 2.948 -10.287 -0.043 203 HB2 ASP 28 HB3 ASP 28 4.460 -12.230 -0.221 204 HB3 ASP 28 HB2 ASP 28 5.691 -11.230 -0.979 205 H ILE 29 H ILE 29 5.150 -9.110 -2.588 206 HA ILE 29 HA ILE 29 5.869 -6.682 -1.193 207 HB ILE 29 HB ILE 29 6.213 -7.364 -4.156 208 HG12 ILE 29 HG13 ILE 29 7.464 -8.938 -2.723 209 HG13 ILE 29 HG12 ILE 29 8.568 -7.895 -3.606 210 HG21 ILE 29 HG21 ILE 29 7.910 -5.549 -4.211 211 HG22 ILE 29 HG22 ILE 29 7.506 -5.122 -2.547 212 HG23 ILE 29 HG23 ILE 29 6.301 -4.934 -3.822 213 HD11 ILE 29 HD11 ILE 29 9.320 -8.258 -1.340 214 HD12 ILE 29 HD12 ILE 29 7.810 -7.621 -0.697 215 HD13 ILE 29 HD13 ILE 29 8.916 -6.558 -1.572 216 H GLU 30 H GLU 30 3.511 -7.630 -3.711 217 HA GLU 30 HA GLU 30 2.837 -5.001 -4.551 218 HB2 GLU 30 HB3 GLU 30 2.494 -7.203 -5.820 219 HB3 GLU 30 HB2 GLU 30 1.063 -7.461 -4.833 220 HG2 GLU 30 HG3 GLU 30 0.063 -5.392 -5.734 221 HG3 GLU 30 HG2 GLU 30 1.518 -5.094 -6.685 222 H LYS 31 H LYS 31 1.375 -7.214 -2.200 223 HA LYS 31 HA LYS 31 -0.831 -5.554 -1.480 224 HB2 LYS 31 HB3 LYS 31 -1.241 -7.110 0.314 225 HB3 LYS 31 HB2 LYS 31 -0.697 -8.052 -1.070 226 HG2 LYS 31 HG3 LYS 31 1.557 -8.223 -0.085 227 HG3 LYS 31 HG2 LYS 31 1.036 -7.258 1.295 228 HD2 LYS 31 HD3 LYS 31 -0.599 -9.057 1.896 229 HD3 LYS 31 HD2 LYS 31 0.004 -10.030 0.548 230 HE2 LYS 31 HE3 LYS 31 2.267 -10.025 1.598 231 HE3 LYS 31 HE2 LYS 31 1.616 -9.110 2.959 232 HZ1 LYS 31 HZ1 LYS 31 0.173 -10.943 3.490 233 HZ2 LYS 31 HZ2 LYS 31 1.771 -11.484 3.415 234 HZ3 LYS 31 HZ3 LYS 31 0.708 -11.818 2.145 235 H GLN 32 H GLN 32 2.517 -5.799 -0.413 236 HA GLN 32 HA GLN 32 2.358 -4.416 2.054 237 HB2 GLN 32 HB3 GLN 32 4.287 -5.811 1.565 238 HB3 GLN 32 HB2 GLN 32 4.666 -4.893 0.117 239 HG2 GLN 32 HG3 GLN 32 6.250 -4.408 1.923 240 HG3 GLN 32 HG2 GLN 32 5.338 -2.968 1.480 241 HE21 GLN 32 HE21 GLN 32 5.748 -1.978 3.468 242 HE22 GLN 32 HE22 GLN 32 4.992 -2.488 4.931 243 H VAL 33 H VAL 33 3.435 -3.361 -1.156 244 HA VAL 33 HA VAL 33 3.806 -0.640 -0.730 245 HB VAL 33 HB VAL 33 2.838 -2.049 -3.270 246 HG11 VAL 33 HG11 VAL 33 4.178 0.661 -2.980 247 HG12 VAL 33 HG12 VAL 33 2.488 0.385 -3.405 248 HG13 VAL 33 HG13 VAL 33 3.768 -0.132 -4.503 249 HG21 VAL 33 HG21 VAL 33 5.672 -1.374 -2.393 250 HG22 VAL 33 HG22 VAL 33 5.216 -2.112 -3.932 251 HG23 VAL 33 HG23 VAL 33 4.959 -2.986 -2.420 252 H ALA 34 H ALA 34 0.936 -2.410 -1.829 253 HA ALA 34 HA ALA 34 -0.853 -0.333 -2.253 254 HB1 ALA 34 HB1 ALA 34 -2.605 -2.031 -2.041 255 HB2 ALA 34 HB2 ALA 34 -1.451 -3.142 -1.291 256 HB3 ALA 34 HB3 ALA 34 -1.237 -2.641 -2.970 257 H ALA 35 H ALA 35 -0.298 -2.246 0.692 258 HA ALA 35 HA ALA 35 -2.335 -1.206 2.308 259 HB1 ALA 35 HB1 ALA 35 -1.054 -2.158 4.182 260 HB2 ALA 35 HB2 ALA 35 0.366 -2.323 3.143 261 HB3 ALA 35 HB3 ALA 35 -1.088 -3.268 2.812 262 H LEU 36 H LEU 36 1.004 -0.151 1.781 263 HA LEU 36 HA LEU 36 1.081 1.918 3.731 264 HB2 LEU 36 HB3 LEU 36 2.748 1.560 1.209 265 HB3 LEU 36 HB2 LEU 36 3.129 2.668 2.521 266 HG LEU 36 HG LEU 36 3.051 -0.365 2.747 267 HD11 LEU 36 HD11 LEU 36 5.439 1.496 2.694 268 HD12 LEU 36 HD12 LEU 36 4.953 0.378 1.418 269 HD13 LEU 36 HD13 LEU 36 5.484 -0.249 2.977 270 HD21 LEU 36 HD21 LEU 36 2.417 0.653 4.863 271 HD22 LEU 36 HD22 LEU 36 3.836 1.702 4.823 272 HD23 LEU 36 HD23 LEU 36 4.030 -0.044 4.986 273 H TRP 37 H TRP 37 0.341 1.910 0.230 274 HA TRP 37 HA TRP 37 -0.038 4.702 -0.114 275 HB2 TRP 37 HB3 TRP 37 -1.264 2.356 -1.625 276 HB3 TRP 37 HB2 TRP 37 -1.490 4.031 -2.106 277 HD1 TRP 37 HD1 TRP 37 2.037 3.227 -1.018 278 HE1 TRP 37 HE1 TRP 37 3.546 3.061 -3.084 279 HE3 TRP 37 HE3 TRP 37 -1.551 3.266 -4.660 280 HZ2 TRP 37 HZ2 TRP 37 3.275 2.947 -5.870 281 HZ3 TRP 37 HZ3 TRP 37 -0.832 3.127 -7.009 282 HH2 TRP 37 HH2 TRP 37 1.533 2.969 -7.591 283 H GLN 38 H GLN 38 -2.165 2.155 1.090 284 HA GLN 38 HA GLN 38 -4.584 3.691 1.009 285 HB2 GLN 38 HB3 GLN 38 -3.880 1.125 2.483 286 HB3 GLN 38 HB2 GLN 38 -5.496 1.833 2.470 287 HG2 GLN 38 HG3 GLN 38 -5.546 1.647 -0.000 288 HG3 GLN 38 HG2 GLN 38 -3.947 0.913 0.037 289 HE21 GLN 38 HE21 GLN 38 -4.655 -0.968 -0.968 290 HE22 GLN 38 HE22 GLN 38 -5.684 -2.115 -0.187 291 H GLN 39 H GLN 39 -2.005 3.314 3.363 292 HA GLN 39 HA GLN 39 -3.355 4.618 5.544 293 HB2 GLN 39 HB3 GLN 39 -0.343 4.431 5.100 294 HB3 GLN 39 HB2 GLN 39 -1.168 4.726 6.627 295 HG2 GLN 39 HG3 GLN 39 -1.184 2.158 5.031 296 HG3 GLN 39 HG2 GLN 39 -0.299 2.452 6.519 297 HE21 GLN 39 HE21 GLN 39 -2.379 0.448 5.795 298 HE22 GLN 39 HE22 GLN 39 -3.592 0.592 7.017 299 H LEU 40 H LEU 40 -0.845 5.646 3.225 300 HA LEU 40 HA LEU 40 -0.637 8.313 4.187 301 HB2 LEU 40 HB3 LEU 40 0.541 6.752 1.885 302 HB3 LEU 40 HB2 LEU 40 0.764 8.489 1.942 303 HG LEU 40 HG LEU 40 2.709 7.289 2.843 304 HD11 LEU 40 HD11 LEU 40 2.245 9.547 3.682 305 HD12 LEU 40 HD12 LEU 40 3.025 8.555 4.909 306 HD13 LEU 40 HD13 LEU 40 1.292 8.873 5.009 307 HD21 LEU 40 HD21 LEU 40 1.655 5.287 3.752 308 HD22 LEU 40 HD22 LEU 40 0.897 6.234 5.033 309 HD23 LEU 40 HD23 LEU 40 2.655 6.070 4.973 310 H LEU 41 H LEU 41 -2.021 7.006 1.126 311 HA LEU 41 HA LEU 41 -2.997 9.574 0.239 312 HB2 LEU 41 HB3 LEU 41 -3.820 6.810 -0.744 313 HB3 LEU 41 HB2 LEU 41 -4.122 8.330 -1.569 314 HG LEU 41 HG LEU 41 -1.420 7.051 -1.135 315 HD11 LEU 41 HD11 LEU 41 -1.375 6.655 -3.550 316 HD12 LEU 41 HD12 LEU 41 -3.011 7.304 -3.693 317 HD13 LEU 41 HD13 LEU 41 -2.724 5.821 -2.780 318 HD21 LEU 41 HD21 LEU 41 -2.107 9.581 -2.649 319 HD22 LEU 41 HD22 LEU 41 -0.519 8.810 -2.593 320 HD23 LEU 41 HD23 LEU 41 -1.219 9.483 -1.124 321 H SER 42 H SER 42 -4.111 7.326 2.525 322 HA SER 42 HA SER 42 -5.972 7.037 3.759 323 HB2 SER 42 HB3 SER 42 -6.788 9.804 2.756 324 HB3 SER 42 HB2 SER 42 -7.415 8.987 4.189 325 HG SER 42 HG SER 42 -5.481 9.233 5.190 326 H THR 43 H THR 43 -5.982 5.727 1.431 327 HA THR 43 HA THR 43 -8.593 6.049 0.090 328 HB THR 43 HB THR 43 -7.625 4.521 -1.647 329 HG1 THR 43 HG1 THR 43 -5.029 4.647 -0.923 330 HG21 THR 43 HG21 THR 43 -7.284 6.938 -1.998 331 HG22 THR 43 HG22 THR 43 -5.866 6.041 -2.542 332 HG23 THR 43 HG23 THR 43 -5.829 6.894 -1.000 333 H GLY 44 H GLY 44 -9.984 4.235 -0.184 334 HA2 GLY 44 HA3 GLY 44 -10.192 2.447 2.030 335 HA3 GLY 44 HA2 GLY 44 -11.174 2.418 0.573 336 H ASN 45 H ASN 45 -9.406 1.917 -1.394 337 HA ASN 45 HA ASN 45 -7.542 -0.181 -0.754 338 HB2 ASN 45 HB3 ASN 45 -9.647 -1.505 -0.782 339 HB3 ASN 45 HB2 ASN 45 -10.021 -0.900 -2.391 340 HD21 ASN 45 HD21 ASN 45 -10.007 -2.856 -3.451 341 HD22 ASN 45 HD22 ASN 45 -8.610 -3.862 -3.615 342 H VAL 46 H VAL 46 -5.907 0.668 -1.913 343 HA VAL 46 HA VAL 46 -6.258 1.383 -4.732 344 HB VAL 46 HB VAL 46 -3.784 1.766 -4.744 345 HG11 VAL 46 HG11 VAL 46 -3.754 3.783 -3.314 346 HG12 VAL 46 HG12 VAL 46 -5.212 3.225 -2.491 347 HG13 VAL 46 HG13 VAL 46 -5.273 3.644 -4.202 348 HG21 VAL 46 HG21 VAL 46 -3.867 1.116 -1.780 349 HG22 VAL 46 HG22 VAL 46 -2.473 1.706 -2.681 350 HG23 VAL 46 HG23 VAL 46 -3.130 0.112 -3.027 351 H THR 47 H THR 47 -5.779 0.015 -6.377 352 HA THR 47 HA THR 47 -5.105 -2.814 -5.751 353 HB THR 47 HB THR 47 -6.458 -3.325 -7.786 354 HG1 THR 47 HG1 THR 47 -7.598 -0.790 -7.871 355 HG21 THR 47 HG21 THR 47 -8.673 -2.776 -6.812 356 HG22 THR 47 HG22 THR 47 -7.915 -1.620 -5.718 357 HG23 THR 47 HG23 THR 47 -7.562 -3.346 -5.568 358 H ARG 48 H ARG 48 -4.462 -3.823 -8.167 359 HA ARG 48 HA ARG 48 -1.770 -3.100 -8.437 360 HB2 ARG 48 HB3 ARG 48 -1.635 -4.725 -10.230 361 HB3 ARG 48 HB2 ARG 48 -2.690 -5.363 -8.978 362 HG2 ARG 48 HG3 ARG 48 -4.656 -4.924 -10.305 363 HG3 ARG 48 HG2 ARG 48 -3.722 -4.012 -11.487 364 HD2 ARG 48 HD3 ARG 48 -2.484 -6.114 -12.055 365 HD3 ARG 48 HD2 ARG 48 -3.563 -6.997 -10.968 366 HE ARG 48 HE ARG 48 -5.354 -5.876 -12.566 367 HH11 ARG 48 HH11 ARG 48 -2.318 -7.404 -13.512 368 HH12 ARG 48 HH12 ARG 48 -2.925 -7.904 -15.059 369 HH21 ARG 48 HH21 ARG 48 -6.128 -6.579 -14.574 370 HH22 ARG 48 HH22 ARG 48 -5.080 -7.435 -15.656 371 H GLU 49 H GLU 49 -4.588 -1.962 -10.206 372 HA GLU 49 HA GLU 49 -2.948 -0.616 -12.267 373 HB2 GLU 49 HB3 GLU 49 -5.984 -0.968 -12.145 374 HB3 GLU 49 HB2 GLU 49 -5.070 -0.326 -13.504 375 HG2 GLU 49 HG3 GLU 49 -4.967 -3.167 -12.458 376 HG3 GLU 49 HG2 GLU 49 -5.789 -2.634 -13.918 377 H THR 50 H THR 50 -3.817 0.196 -9.280 378 HA THR 50 HA THR 50 -4.680 2.915 -9.736 379 HB THR 50 HB THR 50 -3.512 1.637 -7.225 380 HG1 THR 50 HG1 THR 50 -5.832 1.253 -8.359 381 HG21 THR 50 HG21 THR 50 -4.947 4.310 -7.578 382 HG22 THR 50 HG22 THR 50 -3.239 4.108 -7.182 383 HG23 THR 50 HG23 THR 50 -4.480 3.603 -6.035 384 H ASP 51 H ASP 51 -3.376 4.413 -10.485 385 HA ASP 51 HA ASP 51 -0.458 4.252 -10.267 386 HB2 ASP 51 HB3 ASP 51 -2.268 6.164 -11.808 387 HB3 ASP 51 HB2 ASP 51 -0.509 6.188 -11.851 388 H PHE 52 H PHE 52 0.627 5.395 -8.740 389 HA PHE 52 HA PHE 52 -0.578 6.419 -6.489 390 HB2 PHE 52 HB3 PHE 52 1.814 5.673 -6.674 391 HB3 PHE 52 HB2 PHE 52 2.200 7.164 -7.518 392 HD1 PHE 52 HD1 PHE 52 1.219 5.714 -4.260 393 HD2 PHE 52 HD2 PHE 52 2.515 9.252 -6.283 394 HE1 PHE 52 HE1 PHE 52 1.649 6.797 -2.098 395 HE2 PHE 52 HE2 PHE 52 2.931 10.329 -4.115 396 HZ PHE 52 HZ PHE 52 2.499 9.105 -2.026 397 H PHE 53 H PHE 53 0.985 8.403 -9.022 398 HA PHE 53 HA PHE 53 0.291 10.905 -7.843 399 HB2 PHE 53 HB3 PHE 53 1.391 10.222 -10.599 400 HB3 PHE 53 HB2 PHE 53 1.222 11.868 -9.993 401 HD1 PHE 53 HD1 PHE 53 2.863 12.804 -8.491 402 HD2 PHE 53 HD2 PHE 53 2.997 8.630 -9.422 403 HE1 PHE 53 HE1 PHE 53 5.053 12.622 -7.391 404 HE2 PHE 53 HE2 PHE 53 5.185 8.471 -8.319 405 HZ PHE 53 HZ PHE 53 6.217 10.456 -7.302 406 H GLN 54 H GLN 54 -1.185 8.836 -10.186 407 HA GLN 54 HA GLN 54 -3.070 10.735 -11.262 408 HB2 GLN 54 HB3 GLN 54 -2.088 8.759 -12.505 409 HB3 GLN 54 HB2 GLN 54 -3.026 7.696 -11.469 410 HG2 GLN 54 HG3 GLN 54 -4.037 7.993 -13.703 411 HG3 GLN 54 HG2 GLN 54 -5.104 8.539 -12.410 412 HE21 GLN 54 HE21 GLN 54 -5.678 10.674 -12.311 413 HE22 GLN 54 HE22 GLN 54 -5.253 11.843 -13.511 414 H GLN 55 H GLN 55 -2.942 8.625 -8.514 415 HA GLN 55 HA GLN 55 -5.789 8.452 -7.988 416 HB2 GLN 55 HB3 GLN 55 -4.228 6.671 -7.275 417 HB3 GLN 55 HB2 GLN 55 -3.334 7.808 -6.278 418 HG2 GLN 55 HG3 GLN 55 -4.733 6.400 -4.874 419 HG3 GLN 55 HG2 GLN 55 -5.313 8.063 -4.805 420 HE21 GLN 55 HE21 GLN 55 -7.395 7.524 -4.185 421 HE22 GLN 55 HE22 GLN 55 -8.508 6.685 -5.202 422 H GLY 56 H GLY 56 -3.278 10.747 -7.349 423 HA2 GLY 56 HA3 GLY 56 -4.040 13.000 -6.643 424 HA3 GLY 56 HA2 GLY 56 -4.971 12.209 -5.380 425 H GLY 57 H GLY 57 -1.947 10.712 -5.910 426 HA2 GLY 57 HA3 GLY 57 -0.748 11.876 -3.502 427 HA3 GLY 57 HA2 GLY 57 -0.143 10.516 -4.443 428 H ASP 58 H ASP 58 1.229 13.007 -3.503 429 HA ASP 58 HA ASP 58 2.231 13.996 -6.130 430 HB2 ASP 58 HB3 ASP 58 2.066 15.437 -3.449 431 HB3 ASP 58 HB2 ASP 58 2.987 16.048 -4.821 432 H SER 59 H SER 59 4.572 14.909 -5.789 433 HA SER 59 HA SER 59 6.247 12.676 -5.278 434 HB2 SER 59 HB3 SER 59 8.111 14.331 -5.796 435 HB3 SER 59 HB2 SER 59 6.845 14.251 -7.015 436 HG SER 59 HG SER 59 7.267 16.389 -6.622 437 H LEU 60 H LEU 60 5.438 15.493 -3.355 438 HA LEU 60 HA LEU 60 7.345 15.222 -1.280 439 HB2 LEU 60 HB3 LEU 60 5.906 17.248 -1.850 440 HB3 LEU 60 HB2 LEU 60 4.538 16.428 -1.143 441 HG LEU 60 HG LEU 60 5.624 18.237 0.281 442 HD11 LEU 60 HD11 LEU 60 4.139 16.607 1.327 443 HD12 LEU 60 HD12 LEU 60 5.435 17.090 2.417 444 HD13 LEU 60 HD13 LEU 60 5.499 15.519 1.612 445 HD21 LEU 60 HD21 LEU 60 7.961 17.749 -0.268 446 HD22 LEU 60 HD22 LEU 60 7.865 16.221 0.613 447 HD23 LEU 60 HD23 LEU 60 7.692 17.755 1.473 448 H LEU 61 H LEU 61 3.956 14.182 -1.588 449 HA LEU 61 HA LEU 61 3.678 12.684 0.777 450 HB2 LEU 61 HB3 LEU 61 1.936 13.551 -1.021 451 HB3 LEU 61 HB2 LEU 61 2.221 12.016 -1.809 452 HG LEU 61 HG LEU 61 1.210 12.253 1.053 453 HD11 LEU 61 HD11 LEU 61 -0.406 13.345 -0.400 454 HD12 LEU 61 HD12 LEU 61 -1.053 11.822 0.202 455 HD13 LEU 61 HD13 LEU 61 -0.460 11.932 -1.459 456 HD21 LEU 61 HD21 LEU 61 2.190 10.071 0.547 457 HD22 LEU 61 HD22 LEU 61 1.138 9.902 -0.857 458 HD23 LEU 61 HD23 LEU 61 0.446 9.937 0.768 459 H ALA 62 H ALA 62 4.958 11.933 -2.390 460 HA ALA 62 HA ALA 62 5.090 9.106 -2.224 461 HB1 ALA 62 HB1 ALA 62 5.040 10.301 -4.354 462 HB2 ALA 62 HB2 ALA 62 6.489 9.305 -4.248 463 HB3 ALA 62 HB3 ALA 62 6.598 11.049 -4.003 464 H THR 63 H THR 63 7.389 11.706 -1.453 465 HA THR 63 HA THR 63 9.674 10.088 -0.956 466 HB THR 63 HB THR 63 8.993 12.829 0.231 467 HG1 THR 63 HG1 THR 63 9.201 12.333 -2.238 468 HG21 THR 63 HG21 THR 63 11.445 13.118 0.441 469 HG22 THR 63 HG22 THR 63 11.702 11.481 -0.163 470 HG23 THR 63 HG23 THR 63 10.910 11.729 1.394 471 H ARG 64 H ARG 64 7.008 11.231 1.082 472 HA ARG 64 HA ARG 64 7.963 10.114 3.539 473 HB2 ARG 64 HB3 ARG 64 5.146 10.996 2.763 474 HB3 ARG 64 HB2 ARG 64 5.700 10.659 4.403 475 HG2 ARG 64 HG3 ARG 64 7.376 12.528 4.156 476 HG3 ARG 64 HG2 ARG 64 6.645 12.915 2.597 477 HD2 ARG 64 HD3 ARG 64 4.509 13.402 3.694 478 HD3 ARG 64 HD2 ARG 64 5.181 12.932 5.260 479 HE ARG 64 HE ARG 64 6.794 14.953 4.198 480 HH11 ARG 64 HH11 ARG 64 3.514 14.610 5.445 481 HH12 ARG 64 HH12 ARG 64 3.416 16.259 5.966 482 HH21 ARG 64 HH21 ARG 64 6.634 17.119 4.853 483 HH22 ARG 64 HH22 ARG 64 5.193 17.690 5.630 484 H LEU 65 H LEU 65 6.062 8.903 0.873 485 HA LEU 65 HA LEU 65 4.954 6.586 2.114 486 HB2 LEU 65 HB3 LEU 65 4.064 7.706 0.056 487 HB3 LEU 65 HB2 LEU 65 5.480 7.196 -0.835 488 HG LEU 65 HG LEU 65 3.314 5.892 -1.239 489 HD11 LEU 65 HD11 LEU 65 5.466 4.989 -1.989 490 HD12 LEU 65 HD12 LEU 65 4.358 3.715 -1.491 491 HD13 LEU 65 HD13 LEU 65 5.687 4.190 -0.430 492 HD21 LEU 65 HD21 LEU 65 2.681 4.152 0.357 493 HD22 LEU 65 HD22 LEU 65 2.549 5.752 1.080 494 HD23 LEU 65 HD23 LEU 65 3.915 4.712 1.489 495 H THR 66 H THR 66 7.780 7.150 0.014 496 HA THR 66 HA THR 66 8.695 4.506 -0.231 497 HB THR 66 HB THR 66 10.896 5.555 -0.902 498 HG1 THR 66 HG1 THR 66 9.566 7.937 -0.113 499 HG21 THR 66 HG21 THR 66 8.443 6.833 -2.169 500 HG22 THR 66 HG22 THR 66 9.146 5.278 -2.615 501 HG23 THR 66 HG23 THR 66 10.053 6.764 -2.892 502 H GLY 67 H GLY 67 9.254 6.934 2.207 503 HA2 GLY 67 HA3 GLY 67 11.318 6.031 3.752 504 HA3 GLY 67 HA2 GLY 67 9.892 6.817 4.399 505 H GLN 68 H GLN 68 7.946 4.843 3.921 506 HA GLN 68 HA GLN 68 8.266 3.052 6.092 507 HB2 GLN 68 HB3 GLN 68 6.307 3.047 3.773 508 HB3 GLN 68 HB2 GLN 68 6.265 1.816 5.026 509 HG2 GLN 68 HG3 GLN 68 4.587 3.450 5.512 510 HG3 GLN 68 HG2 GLN 68 5.862 3.599 6.717 511 HE21 GLN 68 HE21 GLN 68 4.393 5.068 3.919 512 HE22 GLN 68 HE22 GLN 68 5.054 6.647 4.153 513 H LEU 69 H LEU 69 8.448 2.512 2.567 514 HA LEU 69 HA LEU 69 9.033 -0.228 2.559 515 HB2 LEU 69 HB3 LEU 69 9.669 1.986 0.580 516 HB3 LEU 69 HB2 LEU 69 10.091 0.312 0.248 517 HG LEU 69 HG LEU 69 7.242 1.227 0.818 518 HD11 LEU 69 HD11 LEU 69 8.005 2.316 -1.228 519 HD12 LEU 69 HD12 LEU 69 6.799 1.080 -1.581 520 HD13 LEU 69 HD13 LEU 69 8.508 0.759 -1.893 521 HD21 LEU 69 HD21 LEU 69 6.611 -0.953 -0.152 522 HD22 LEU 69 HD22 LEU 69 7.610 -1.137 1.286 523 HD23 LEU 69 HD23 LEU 69 8.319 -1.378 -0.315 524 H HIS 70 H HIS 70 11.187 2.570 2.841 525 HA HIS 70 HA HIS 70 13.697 1.304 2.632 526 HB2 HIS 70 HB3 HIS 70 12.859 3.828 4.115 527 HB3 HIS 70 HB2 HIS 70 14.540 3.332 3.945 528 HD1 HIS 70 HD1 HIS 70 12.879 5.887 2.699 529 HD2 HIS 70 HD2 HIS 70 14.496 2.608 0.738 530 HE1 HIS 70 HE1 HIS 70 13.325 6.666 0.362 531 HE2 HIS 70 HE2 HIS 70 14.455 4.714 -0.751 532 H GLN 71 H GLN 71 11.658 1.966 5.448 533 HA GLN 71 HA GLN 71 13.452 0.859 7.402 534 HB2 GLN 71 HB3 GLN 71 10.494 1.560 7.598 535 HB3 GLN 71 HB2 GLN 71 11.538 1.169 8.966 536 HG2 GLN 71 HG3 GLN 71 12.962 3.159 8.375 537 HG3 GLN 71 HG2 GLN 71 11.785 3.576 7.132 538 HE21 GLN 71 HE21 GLN 71 12.604 5.061 9.563 539 HE22 GLN 71 HE22 GLN 71 11.140 5.349 10.434 540 H ALA 72 H ALA 72 11.100 -0.488 5.265 541 HA ALA 72 HA ALA 72 10.900 -3.062 6.636 542 HB1 ALA 72 HB1 ALA 72 9.921 -2.207 3.882 543 HB2 ALA 72 HB2 ALA 72 8.976 -2.187 5.372 544 HB3 ALA 72 HB3 ALA 72 9.524 -3.722 4.701 545 H GLY 73 H GLY 73 13.189 -1.537 4.704 546 HA2 GLY 73 HA3 GLY 73 15.277 -2.345 4.082 547 HA3 GLY 73 HA2 GLY 73 14.703 -3.995 4.268 548 H TYR 74 H TYR 74 13.032 -1.561 2.377 549 HA TYR 74 HA TYR 74 13.905 -2.792 -0.174 550 HB2 TYR 74 HB3 TYR 74 11.147 -1.594 0.426 551 HB3 TYR 74 HB2 TYR 74 11.656 -2.286 -1.114 552 HD1 TYR 74 HD1 TYR 74 12.538 -4.794 -0.982 553 HD2 TYR 74 HD2 TYR 74 9.965 -2.996 1.922 554 HE1 TYR 74 HE1 TYR 74 11.819 -7.020 -0.240 555 HE2 TYR 74 HE2 TYR 74 9.242 -5.231 2.662 556 HH TYR 74 HH TYR 74 9.141 -7.562 1.713 557 H GLU 75 H GLU 75 14.982 -1.379 -1.450 558 HA GLU 75 HA GLU 75 15.096 1.428 -0.902 559 HB2 GLU 75 HB3 GLU 75 17.064 0.329 -1.822 560 HB3 GLU 75 HB2 GLU 75 16.170 -0.198 -3.243 561 HG2 GLU 75 HG3 GLU 75 17.613 1.660 -3.831 562 HG3 GLU 75 HG2 GLU 75 15.935 2.167 -3.959 563 H ALA 76 H ALA 76 13.934 3.006 -1.745 564 HA ALA 76 HA ALA 76 12.039 2.663 -3.937 565 HB1 ALA 76 HB1 ALA 76 10.148 3.394 -2.541 566 HB2 ALA 76 HB2 ALA 76 11.191 3.375 -1.115 567 HB3 ALA 76 HB3 ALA 76 10.822 1.871 -1.960 568 H GLN 77 H GLN 77 12.378 4.405 -5.167 569 HA GLN 77 HA GLN 77 12.974 7.027 -3.907 570 HB2 GLN 77 HB3 GLN 77 14.190 5.821 -6.433 571 HB3 GLN 77 HB2 GLN 77 14.351 7.515 -5.992 572 HG2 GLN 77 HG3 GLN 77 15.393 5.163 -4.381 573 HG3 GLN 77 HG2 GLN 77 16.362 6.244 -5.382 574 HE21 GLN 77 HE21 GLN 77 16.620 5.696 -2.529 575 HE22 GLN 77 HE22 GLN 77 16.440 7.211 -1.716 576 H LEU 78 H LEU 78 12.419 8.889 -5.226 577 HA LEU 78 HA LEU 78 9.810 8.876 -6.304 578 HB2 LEU 78 HB3 LEU 78 12.006 10.949 -6.736 579 HB3 LEU 78 HB2 LEU 78 10.288 11.194 -7.038 580 HG LEU 78 HG LEU 78 11.601 10.760 -4.341 581 HD11 LEU 78 HD11 LEU 78 10.228 13.202 -5.474 582 HD12 LEU 78 HD12 LEU 78 11.962 12.992 -5.217 583 HD13 LEU 78 HD13 LEU 78 10.871 13.036 -3.835 584 HD21 LEU 78 HD21 LEU 78 9.449 9.644 -4.311 585 HD22 LEU 78 HD22 LEU 78 8.652 11.085 -4.954 586 HD23 LEU 78 HD23 LEU 78 9.377 11.114 -3.344 587 H SER 79 H SER 79 12.958 8.459 -7.742 588 HA SER 79 HA SER 79 12.424 8.691 -10.465 589 HB2 SER 79 HB3 SER 79 14.314 6.695 -9.146 590 HB3 SER 79 HB2 SER 79 14.452 7.365 -10.773 591 HG SER 79 HG SER 79 15.015 9.304 -9.936 592 H ASP 80 H ASP 80 11.966 5.952 -8.244 593 HA ASP 80 HA ASP 80 11.064 4.049 -10.178 594 HB2 ASP 80 HB3 ASP 80 10.677 4.146 -7.153 595 HB3 ASP 80 HB2 ASP 80 10.264 2.760 -8.155 596 H LEU 81 H LEU 81 9.323 6.061 -7.767 597 HA LEU 81 HA LEU 81 6.719 5.130 -8.378 598 HB2 LEU 81 HB3 LEU 81 7.865 7.354 -6.720 599 HB3 LEU 81 HB2 LEU 81 6.185 7.544 -7.182 600 HG LEU 81 HG LEU 81 7.267 5.118 -5.698 601 HD11 LEU 81 HD11 LEU 81 6.217 6.005 -3.699 602 HD12 LEU 81 HD12 LEU 81 5.699 7.450 -4.576 603 HD13 LEU 81 HD13 LEU 81 7.417 7.141 -4.313 604 HD21 LEU 81 HD21 LEU 81 4.406 5.967 -6.280 605 HD22 LEU 81 HD22 LEU 81 4.901 4.573 -5.313 606 HD23 LEU 81 HD23 LEU 81 5.267 4.621 -7.035 607 H PHE 82 H PHE 82 8.543 7.867 -9.665 608 HA PHE 82 HA PHE 82 6.258 9.165 -10.855 609 HB2 PHE 82 HB3 PHE 82 8.429 10.292 -9.989 610 HB3 PHE 82 HB2 PHE 82 9.178 9.774 -11.492 611 HD1 PHE 82 HD1 PHE 82 8.666 10.935 -13.593 612 HD2 PHE 82 HD2 PHE 82 6.610 11.979 -9.984 613 HE1 PHE 82 HE1 PHE 82 7.803 12.971 -14.665 614 HE2 PHE 82 HE2 PHE 82 5.754 14.010 -11.065 615 HZ PHE 82 HZ PHE 82 6.342 14.509 -13.411 616 H ASN 83 H ASN 83 8.831 7.009 -11.941 617 HA ASN 83 HA ASN 83 8.041 7.099 -14.742 618 HB2 ASN 83 HB3 ASN 83 10.438 6.802 -14.017 619 HB3 ASN 83 HB2 ASN 83 10.020 5.223 -13.362 620 HD21 ASN 83 HD21 ASN 83 10.433 7.100 -16.294 621 HD22 ASN 83 HD22 ASN 83 10.510 5.753 -17.375 622 H HIS 84 H HIS 84 7.459 5.104 -11.923 623 HA HIS 84 HA HIS 84 5.709 3.277 -13.480 624 HB2 HIS 84 HB3 HIS 84 7.304 2.369 -11.044 625 HB3 HIS 84 HB2 HIS 84 6.437 1.368 -12.199 626 HD1 HIS 84 HD1 HIS 84 7.650 0.969 -14.532 627 HD2 HIS 84 HD2 HIS 84 9.949 2.914 -11.671 628 HE1 HIS 84 HE1 HIS 84 10.026 0.757 -15.310 629 HE2 HIS 84 HE2 HIS 84 11.392 1.829 -13.498 630 HA PRO 85 HA PRO 85 3.331 5.255 -9.974 631 HB2 PRO 85 HB3 PRO 85 1.205 5.768 -11.970 632 HB3 PRO 85 HB2 PRO 85 2.103 6.934 -10.979 633 HG2 PRO 85 HG3 PRO 85 2.437 6.780 -13.660 634 HG3 PRO 85 HG2 PRO 85 3.768 7.221 -12.565 635 HD2 PRO 85 HD3 PRO 85 3.168 4.528 -13.805 636 HD3 PRO 85 HD2 PRO 85 4.718 5.401 -13.705 637 H ARG 86 H ARG 86 1.857 3.341 -12.634 638 HA ARG 86 HA ARG 86 0.016 1.723 -11.647 639 HB2 ARG 86 HB3 ARG 86 1.173 1.707 -13.916 640 HB3 ARG 86 HB2 ARG 86 2.453 0.736 -13.200 641 HG2 ARG 86 HG3 ARG 86 0.918 -0.642 -14.491 642 HG3 ARG 86 HG2 ARG 86 0.838 -1.074 -12.780 643 HD2 ARG 86 HD3 ARG 86 -1.391 -0.896 -14.032 644 HD3 ARG 86 HD2 ARG 86 -1.264 -0.040 -12.498 645 HE ARG 86 HE ARG 86 -0.944 2.039 -13.814 646 HH11 ARG 86 HH11 ARG 86 -2.557 -0.675 -15.411 647 HH12 ARG 86 HH12 ARG 86 -3.390 0.352 -16.532 648 HH21 ARG 86 HH21 ARG 86 -2.093 3.330 -15.217 649 HH22 ARG 86 HH22 ARG 86 -3.130 2.624 -16.421 650 H LEU 87 H LEU 87 -0.178 0.658 -9.752 651 HA LEU 87 HA LEU 87 1.783 0.476 -7.809 652 HB2 LEU 87 HB3 LEU 87 -0.762 0.449 -7.594 653 HB3 LEU 87 HB2 LEU 87 -0.699 -1.274 -7.905 654 HG LEU 87 HG LEU 87 0.769 -0.016 -5.542 655 HD11 LEU 87 HD11 LEU 87 -1.592 0.603 -5.373 656 HD12 LEU 87 HD12 LEU 87 -1.141 -0.549 -4.125 657 HD13 LEU 87 HD13 LEU 87 -2.068 -1.091 -5.526 658 HD21 LEU 87 HD21 LEU 87 0.598 -2.263 -4.534 659 HD22 LEU 87 HD22 LEU 87 1.475 -2.307 -6.060 660 HD23 LEU 87 HD23 LEU 87 -0.197 -2.865 -5.994 661 H ALA 88 H ALA 88 0.486 -2.236 -9.764 662 HA ALA 88 HA ALA 88 2.027 -4.279 -8.596 663 HB1 ALA 88 HB1 ALA 88 0.856 -4.149 -11.389 664 HB2 ALA 88 HB2 ALA 88 0.034 -4.720 -9.939 665 HB3 ALA 88 HB3 ALA 88 1.411 -5.617 -10.575 666 H ASP 89 H ASP 89 2.658 -2.115 -11.277 667 HA ASP 89 HA ASP 89 5.051 -3.386 -12.221 668 HB2 ASP 89 HB3 ASP 89 3.508 -2.024 -13.659 669 HB3 ASP 89 HB2 ASP 89 4.011 -0.575 -12.787 670 H PHE 90 H PHE 90 4.283 -0.823 -9.941 671 HA PHE 90 HA PHE 90 6.955 0.114 -9.509 672 HB2 PHE 90 HB3 PHE 90 5.088 1.571 -8.926 673 HB3 PHE 90 HB2 PHE 90 4.428 0.373 -7.819 674 HD1 PHE 90 HD1 PHE 90 4.835 0.711 -5.544 675 HD2 PHE 90 HD2 PHE 90 7.646 2.289 -8.346 676 HE1 PHE 90 HE1 PHE 90 6.136 1.667 -3.693 677 HE2 PHE 90 HE2 PHE 90 8.938 3.246 -6.483 678 HZ PHE 90 HZ PHE 90 8.193 2.933 -4.161 679 H ALA 91 H ALA 91 4.925 -2.386 -8.030 680 HA ALA 91 HA ALA 91 6.619 -3.142 -5.892 681 HB1 ALA 91 HB1 ALA 91 4.257 -3.822 -6.049 682 HB2 ALA 91 HB2 ALA 91 5.306 -5.230 -5.866 683 HB3 ALA 91 HB3 ALA 91 4.627 -4.830 -7.448 684 H ALA 92 H ALA 92 6.723 -3.781 -9.312 685 HA ALA 92 HA ALA 92 8.607 -5.969 -9.226 686 HB1 ALA 92 HB1 ALA 92 7.637 -4.278 -11.552 687 HB2 ALA 92 HB2 ALA 92 6.953 -5.815 -11.022 688 HB3 ALA 92 HB3 ALA 92 8.588 -5.765 -11.684 689 H THR 93 H THR 93 8.757 -2.438 -9.823 690 HA THR 93 HA THR 93 11.534 -2.452 -10.616 691 HB THR 93 HB THR 93 9.909 -0.679 -11.398 692 HG1 THR 93 HG1 THR 93 12.121 0.518 -10.059 693 HG21 THR 93 HG21 THR 93 8.775 -0.162 -9.267 694 HG22 THR 93 HG22 THR 93 9.492 1.285 -9.976 695 HG23 THR 93 HG23 THR 93 10.285 0.485 -8.619 696 H LEU 94 H LEU 94 9.898 -2.427 -7.597 697 HA LEU 94 HA LEU 94 11.794 -1.183 -5.942 698 HB2 LEU 94 HB3 LEU 94 9.708 -3.308 -5.384 699 HB3 LEU 94 HB2 LEU 94 10.799 -2.767 -4.118 700 HG LEU 94 HG LEU 94 8.773 -1.037 -5.584 701 HD11 LEU 94 HD11 LEU 94 7.665 -0.896 -3.406 702 HD12 LEU 94 HD12 LEU 94 8.854 -2.000 -2.712 703 HD13 LEU 94 HD13 LEU 94 7.754 -2.562 -3.974 704 HD21 LEU 94 HD21 LEU 94 10.761 0.287 -5.072 705 HD22 LEU 94 HD22 LEU 94 10.735 -0.270 -3.396 706 HD23 LEU 94 HD23 LEU 94 9.431 0.749 -4.011 707 H ARG 95 H ARG 95 13.441 -1.911 -4.757 708 HA ARG 95 HA ARG 95 14.508 -4.650 -5.143 709 HB2 ARG 95 HB3 ARG 95 15.617 -2.759 -6.575 710 HB3 ARG 95 HB2 ARG 95 16.266 -2.159 -5.053 711 HG2 ARG 95 HG3 ARG 95 17.517 -4.224 -4.717 712 HG3 ARG 95 HG2 ARG 95 16.752 -4.959 -6.131 713 HD2 ARG 95 HD3 ARG 95 18.741 -2.673 -6.075 714 HD3 ARG 95 HD2 ARG 95 18.927 -4.256 -6.833 715 HE ARG 95 HE ARG 95 17.735 -1.927 -7.963 716 HH11 ARG 95 HH11 ARG 95 17.501 -5.452 -8.073 717 HH12 ARG 95 HH12 ARG 95 16.807 -5.461 -9.665 718 HH21 ARG 95 HH21 ARG 95 16.744 -1.974 -10.000 719 HH22 ARG 95 HH22 ARG 95 16.378 -3.496 -10.748 720 H LYS 96 H LYS 96 16.196 -5.073 -3.298 721 HA LYS 96 HA LYS 96 15.096 -4.020 -0.792 722 HB2 LYS 96 HB3 LYS 96 17.147 -6.218 -1.317 723 HB3 LYS 96 HB2 LYS 96 16.630 -5.709 0.292 724 HG2 LYS 96 HG3 LYS 96 14.227 -6.249 -0.498 725 HG3 LYS 96 HG2 LYS 96 14.992 -7.093 -1.848 726 HD2 LYS 96 HD3 LYS 96 16.155 -8.593 -0.282 727 HD3 LYS 96 HD2 LYS 96 15.505 -7.697 1.094 728 HE2 LYS 96 HE3 LYS 96 13.198 -8.349 0.350 729 HE3 LYS 96 HE2 LYS 96 13.932 -9.350 -0.906 730 HZ1 LYS 96 HZ1 LYS 96 14.290 -9.671 2.025 731 HZ2 LYS 96 HZ2 LYS 96 15.059 -10.609 0.851 732 HZ3 LYS 96 HZ3 LYS 96 13.382 -10.677 1.016 733 H THR 97 H THR 97 16.239 -2.846 0.724 734 HA THR 97 HA THR 97 18.406 -1.173 -0.173 735 HB THR 97 HB THR 97 17.316 -1.393 2.682 736 HG1 THR 97 HG1 THR 97 16.351 0.158 0.505 737 HG21 THR 97 HG21 THR 97 17.987 0.966 2.854 738 HG22 THR 97 HG22 THR 97 18.572 0.945 1.190 739 HG23 THR 97 HG23 THR 97 19.381 -0.030 2.422 740 H ASP 98 H ASP 98 20.586 -1.490 0.234 741 HA ASP 98 HA ASP 98 21.528 -3.750 1.788 742 HB2 ASP 98 HB3 ASP 98 22.860 -2.983 -0.145 743 HB3 ASP 98 HB2 ASP 98 23.016 -1.380 0.558 744 H VAL 99 H VAL 99 21.728 -3.733 3.932 745 HA VAL 99 HA VAL 99 21.083 -1.510 5.584 746 HB VAL 99 HB VAL 99 21.697 -2.988 7.492 747 HG11 VAL 99 HG11 VAL 99 20.054 -4.796 7.084 748 HG12 VAL 99 HG12 VAL 99 20.065 -4.420 5.359 749 HG13 VAL 99 HG13 VAL 99 19.463 -3.232 6.517 750 HG21 VAL 99 HG21 VAL 99 23.682 -4.107 6.563 751 HG22 VAL 99 HG22 VAL 99 22.681 -4.963 5.387 752 HG23 VAL 99 HG23 VAL 99 22.508 -5.306 7.111 753 HA PRO 100 HA PRO 100 25.183 0.340 6.046 754 HB2 PRO 100 HB3 PRO 100 24.925 1.760 8.331 755 HB3 PRO 100 HB2 PRO 100 23.922 2.135 6.912 756 HG2 PRO 100 HG3 PRO 100 23.188 0.502 9.337 757 HG3 PRO 100 HG2 PRO 100 22.276 1.817 8.558 758 HD2 PRO 100 HD3 PRO 100 21.763 -0.823 8.061 759 HD3 PRO 100 HD2 PRO 100 21.496 0.451 6.848 760 H VAL 101 H VAL 101 24.787 -2.443 7.163 761 HA VAL 101 HA VAL 101 25.721 -4.055 8.360 762 HB VAL 101 HB VAL 101 28.011 -2.117 8.936 763 HG11 VAL 101 HG11 VAL 101 27.964 -5.157 9.129 764 HG12 VAL 101 HG12 VAL 101 28.015 -4.039 10.493 765 HG13 VAL 101 HG13 VAL 101 29.379 -4.127 9.378 766 HG21 VAL 101 HG21 VAL 101 29.167 -3.201 7.037 767 HG22 VAL 101 HG22 VAL 101 27.674 -2.417 6.512 768 HG23 VAL 101 HG23 VAL 101 27.727 -4.172 6.707 769 H GLU 102 H GLU 102 24.506 -4.573 10.022 770 HA GLU 102 HA GLU 102 23.927 -2.916 12.282 771 HB2 GLU 102 HB3 GLU 102 22.449 -4.768 11.307 772 HB3 GLU 102 HB2 GLU 102 23.547 -5.937 12.029 773 HG2 GLU 102 HG3 GLU 102 21.636 -5.713 13.467 774 HG3 GLU 102 HG2 GLU 102 23.013 -4.970 14.280 775 H GLN 103 H GLN 103 26.073 -5.641 11.627 776 HA GLN 103 HA GLN 103 27.115 -6.146 14.213 777 HB2 GLN 103 HB3 GLN 103 28.391 -6.582 11.470 778 HB3 GLN 103 HB2 GLN 103 28.931 -7.336 12.970 779 HG2 GLN 103 HG3 GLN 103 26.762 -8.516 13.152 780 HG3 GLN 103 HG2 GLN 103 26.232 -7.762 11.645 781 HE21 GLN 103 HE21 GLN 103 25.966 -9.736 10.580 782 HE22 GLN 103 HE22 GLN 103 27.305 -10.718 10.094 783 HA PRO 104 HA PRO 104 30.028 -2.863 15.290 784 HB2 PRO 104 HB3 PRO 104 32.112 -5.074 15.327 785 HB3 PRO 104 HB2 PRO 104 31.829 -3.779 16.515 786 HG2 PRO 104 HG3 PRO 104 30.925 -6.211 17.034 787 HG3 PRO 104 HG2 PRO 104 29.898 -4.801 17.383 788 HD2 PRO 104 HD3 PRO 104 29.677 -6.779 15.135 789 HD3 PRO 104 HD2 PRO 104 28.394 -5.926 16.023 790 H PHE 105 H PHE 105 30.045 -1.724 13.396 791 HA PHE 105 HA PHE 105 31.891 -2.334 11.185 792 HB2 PHE 105 HB3 PHE 105 29.481 -1.639 10.789 793 HB3 PHE 105 HB2 PHE 105 29.823 -0.091 11.537 794 HD1 PHE 105 HD1 PHE 105 31.037 -2.256 8.719 795 HD2 PHE 105 HD2 PHE 105 30.297 1.718 10.104 796 HE1 PHE 105 HE1 PHE 105 31.631 -1.362 6.511 797 HE2 PHE 105 HE2 PHE 105 30.900 2.606 7.894 798 HZ PHE 105 HZ PHE 105 31.568 1.064 6.094 799 H VAL 106 H VAL 106 32.918 -0.024 10.350 800 HA VAL 106 HA VAL 106 34.826 0.860 12.259 801 HB VAL 106 HB VAL 106 34.102 2.118 9.562 802 HG11 VAL 106 HG11 VAL 106 35.433 3.660 10.947 803 HG12 VAL 106 HG12 VAL 106 36.387 3.071 9.584 804 HG13 VAL 106 HG13 VAL 106 36.651 2.408 11.197 805 HG21 VAL 106 HG21 VAL 106 36.210 0.013 10.188 806 HG22 VAL 106 HG22 VAL 106 35.947 0.767 8.614 807 HG23 VAL 106 HG23 VAL 106 34.700 -0.266 9.317 808 H HIS 107 H HIS 107 33.488 1.496 13.992 809 HA HIS 107 HA HIS 107 32.711 4.337 14.014 810 HB2 HIS 107 HB3 HIS 107 30.908 2.050 14.979 811 HB3 HIS 107 HB2 HIS 107 30.664 3.731 15.440 812 HD1 HIS 107 HD1 HIS 107 29.885 5.371 13.553 813 HD2 HIS 107 HD2 HIS 107 29.938 1.366 12.466 814 HE1 HIS 107 HE1 HIS 107 28.602 5.238 11.409 815 HE2 HIS 107 HE2 HIS 107 28.496 2.788 10.879 816 H SER 108 H SER 108 32.746 5.219 16.204 817 HA SER 108 HA SER 108 33.988 3.497 18.273 818 HB2 SER 108 HB3 SER 108 35.511 5.389 18.860 819 HB3 SER 108 HB2 SER 108 35.816 4.755 17.240 820 HG SER 108 HG SER 108 34.574 7.181 17.995 821 HA PRO 109 HA PRO 109 30.360 5.565 20.271 822 HB2 PRO 109 HB3 PRO 109 30.120 3.624 22.253 823 HB3 PRO 109 HB2 PRO 109 29.324 3.538 20.669 824 HG2 PRO 109 HG3 PRO 109 31.835 2.186 21.586 825 HG3 PRO 109 HG2 PRO 109 30.521 1.552 20.568 826 HD2 PRO 109 HD3 PRO 109 32.877 2.398 19.514 827 HD3 PRO 109 HD2 PRO 109 31.339 2.568 18.643 828 H GLU 110 H GLU 110 31.599 7.289 20.885 829 HA GLU 110 HA GLU 110 33.194 7.134 23.388 830 HB2 GLU 110 HB3 GLU 110 34.558 8.972 22.480 831 HB3 GLU 110 HB2 GLU 110 34.549 7.616 21.361 832 HG2 GLU 110 HG3 GLU 110 32.707 8.859 20.074 833 HG3 GLU 110 HG2 GLU 110 33.077 10.253 21.088 834 H ASP 111 H ASP 111 33.320 9.476 24.403 835 HA ASP 111 HA ASP 111 30.588 10.406 24.817 836 HB2 ASP 111 HB3 ASP 111 31.454 11.760 26.652 837 HB3 ASP 111 HB2 ASP 111 32.053 10.116 26.793 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -10.877 -19.244 8.065 2 H2 GLY 1 H2 GLY 1 -9.442 -18.407 7.747 3 H3 GLY 1 H3 GLY 1 -9.410 -19.802 8.695 4 HA2 GLY 1 HA2 GLY 1 -10.054 -21.159 6.831 5 HA3 GLY 1 HA3 GLY 1 -10.158 -19.717 5.828 6 H THR 2 H THR 2 -8.581 -20.419 4.361 7 HA THR 2 HA THR 2 -5.790 -20.118 5.224 8 HB THR 2 HB THR 2 -6.772 -22.510 3.567 9 HG1 THR 2 HG1 THR 2 -6.922 -23.484 5.423 10 HG21 THR 2 HG21 THR 2 -3.962 -21.809 4.518 11 HG22 THR 2 HG22 THR 2 -4.530 -21.739 2.846 12 HG23 THR 2 HG23 THR 2 -4.425 -23.289 3.679 13 H ILE 3 H ILE 3 -5.621 -18.181 4.075 14 HA ILE 3 HA ILE 3 -6.244 -17.928 1.283 15 HB ILE 3 HB ILE 3 -6.061 -15.903 2.649 16 HG12 ILE 3 HG13 ILE 3 -3.809 -15.969 0.579 17 HG13 ILE 3 HG12 ILE 3 -5.511 -15.702 0.217 18 HG21 ILE 3 HG21 ILE 3 -3.930 -15.073 3.572 19 HG22 ILE 3 HG22 ILE 3 -3.123 -16.551 3.047 20 HG23 ILE 3 HG23 ILE 3 -4.378 -16.626 4.283 21 HD11 ILE 3 HD11 ILE 3 -3.721 -13.896 1.837 22 HD12 ILE 3 HD12 ILE 3 -5.440 -13.629 1.544 23 HD13 ILE 3 HD13 ILE 3 -4.304 -13.616 0.196 24 H ASP 4 H ASP 4 -4.857 -18.223 -0.503 25 HA ASP 4 HA ASP 4 -3.110 -20.459 -0.275 26 HB2 ASP 4 HB3 ASP 4 -3.616 -18.630 -2.660 27 HB3 ASP 4 HB2 ASP 4 -2.730 -20.148 -2.743 28 H TYR 5 H TYR 5 -1.463 -19.732 1.180 29 HA TYR 5 HA TYR 5 0.557 -17.831 0.420 30 HB2 TYR 5 HB3 TYR 5 0.769 -20.225 2.309 31 HB3 TYR 5 HB2 TYR 5 1.944 -18.923 2.178 32 HD1 TYR 5 HD1 TYR 5 1.076 -16.507 2.729 33 HD2 TYR 5 HD2 TYR 5 -0.948 -20.073 3.936 34 HE1 TYR 5 HE1 TYR 5 -0.047 -15.267 4.529 35 HE2 TYR 5 HE2 TYR 5 -2.074 -18.829 5.730 36 HH TYR 5 HH TYR 5 -1.688 -16.774 7.075 37 H GLN 6 H GLN 6 -0.059 -21.237 -0.095 38 HA GLN 6 HA GLN 6 2.352 -22.155 -1.167 39 HB2 GLN 6 HB3 GLN 6 0.537 -23.670 -0.494 40 HB3 GLN 6 HB2 GLN 6 -0.514 -23.030 -1.752 41 HG2 GLN 6 HG3 GLN 6 1.049 -23.936 -3.470 42 HG3 GLN 6 HG2 GLN 6 2.029 -24.637 -2.183 43 HE21 GLN 6 HE21 GLN 6 -0.998 -24.846 -3.920 44 HE22 GLN 6 HE22 GLN 6 -1.442 -26.415 -3.349 45 H ALA 7 H ALA 7 -0.420 -20.573 -2.750 46 HA ALA 7 HA ALA 7 0.518 -20.649 -5.422 47 HB1 ALA 7 HB1 ALA 7 -1.321 -18.607 -4.122 48 HB2 ALA 7 HB2 ALA 7 -1.824 -20.128 -4.863 49 HB3 ALA 7 HB3 ALA 7 -1.107 -18.864 -5.860 50 H LEU 8 H LEU 8 1.041 -18.376 -2.759 51 HA LEU 8 HA LEU 8 2.725 -16.994 -2.207 52 HB2 LEU 8 HB3 LEU 8 4.221 -18.798 -2.961 53 HB3 LEU 8 HB2 LEU 8 4.135 -18.207 -4.609 54 HG LEU 8 HG LEU 8 5.336 -16.119 -3.903 55 HD11 LEU 8 HD11 LEU 8 6.434 -16.002 -1.710 56 HD12 LEU 8 HD12 LEU 8 5.639 -17.496 -1.213 57 HD13 LEU 8 HD13 LEU 8 4.679 -16.049 -1.532 58 HD21 LEU 8 HD21 LEU 8 7.553 -17.148 -3.668 59 HD22 LEU 8 HD22 LEU 8 6.589 -18.008 -4.865 60 HD23 LEU 8 HD23 LEU 8 6.810 -18.696 -3.255 61 H LYS 9 H LYS 9 3.063 -16.821 -5.748 62 HA LYS 9 HA LYS 9 2.140 -14.002 -5.723 63 HB2 LYS 9 HB3 LYS 9 4.662 -14.618 -6.311 64 HB3 LYS 9 HB2 LYS 9 4.004 -15.183 -7.835 65 HG2 LYS 9 HG3 LYS 9 3.937 -12.352 -6.743 66 HG3 LYS 9 HG2 LYS 9 4.902 -12.951 -8.089 67 HD2 LYS 9 HD3 LYS 9 2.734 -13.409 -9.326 68 HD3 LYS 9 HD2 LYS 9 1.885 -12.602 -8.003 69 HE2 LYS 9 HE3 LYS 9 3.868 -11.398 -9.944 70 HE3 LYS 9 HE2 LYS 9 2.170 -10.980 -9.736 71 HZ1 LYS 9 HZ1 LYS 9 2.706 -10.082 -7.547 72 HZ2 LYS 9 HZ2 LYS 9 3.623 -9.334 -8.757 73 HZ3 LYS 9 HZ3 LYS 9 4.333 -10.493 -7.759 74 H ARG 10 H ARG 10 -0.031 -14.517 -6.155 75 HA ARG 10 HA ARG 10 -0.955 -16.274 -8.197 76 HB2 ARG 10 HB3 ARG 10 -2.401 -15.373 -6.333 77 HB3 ARG 10 HB2 ARG 10 -2.315 -13.774 -7.067 78 HG2 ARG 10 HG3 ARG 10 -4.432 -14.753 -7.654 79 HG3 ARG 10 HG2 ARG 10 -3.439 -14.711 -9.112 80 HD2 ARG 10 HD3 ARG 10 -4.635 -16.831 -8.965 81 HD3 ARG 10 HD2 ARG 10 -2.901 -17.120 -8.786 82 HE ARG 10 HE ARG 10 -4.065 -16.790 -6.236 83 HH11 ARG 10 HH11 ARG 10 -4.017 -19.197 -8.814 84 HH12 ARG 10 HH12 ARG 10 -4.327 -20.518 -7.734 85 HH21 ARG 10 HH21 ARG 10 -4.471 -18.515 -4.852 86 HH22 ARG 10 HH22 ARG 10 -4.586 -20.132 -5.479 87 H ARG 11 H ARG 11 -1.003 -15.955 -10.414 88 HA ARG 11 HA ARG 11 -0.699 -13.240 -11.524 89 HB2 ARG 11 HB3 ARG 11 1.172 -13.936 -12.997 90 HB3 ARG 11 HB2 ARG 11 1.604 -13.987 -11.292 91 HG2 ARG 11 HG3 ARG 11 1.444 -16.416 -11.265 92 HG3 ARG 11 HG2 ARG 11 0.848 -16.435 -12.927 93 HD2 ARG 11 HD3 ARG 11 3.254 -17.029 -12.779 94 HD3 ARG 11 HD2 ARG 11 2.975 -15.578 -13.749 95 HE ARG 11 HE ARG 11 4.010 -15.596 -10.966 96 HH11 ARG 11 HH11 ARG 11 3.856 -14.080 -14.142 97 HH12 ARG 11 HH12 ARG 11 5.002 -12.840 -13.734 98 HH21 ARG 11 HH21 ARG 11 5.476 -13.946 -10.436 99 HH22 ARG 11 HH22 ARG 11 5.911 -12.768 -11.636 100 H HIS 12 H HIS 12 -1.466 -12.956 -13.515 101 HA HIS 12 HA HIS 12 -2.013 -14.826 -15.519 102 HB2 HIS 12 HB3 HIS 12 -4.544 -14.778 -15.495 103 HB3 HIS 12 HB2 HIS 12 -3.847 -15.705 -14.174 104 HD1 HIS 12 HD1 HIS 12 -3.995 -14.640 -11.790 105 HD2 HIS 12 HD2 HIS 12 -6.174 -12.650 -14.706 106 HE1 HIS 12 HE1 HIS 12 -5.567 -13.141 -10.544 107 HE2 HIS 12 HE2 HIS 12 -7.056 -12.185 -12.322 108 H THR 13 H THR 13 -3.848 -13.670 -17.051 109 HA THR 13 HA THR 13 -2.771 -11.181 -17.900 110 HB THR 13 HB THR 13 -4.827 -11.244 -19.458 111 HG1 THR 13 HG1 THR 13 -5.973 -13.282 -19.387 112 HG21 THR 13 HG21 THR 13 -4.010 -13.183 -20.761 113 HG22 THR 13 HG22 THR 13 -3.082 -13.740 -19.368 114 HG23 THR 13 HG23 THR 13 -2.662 -12.218 -20.155 115 HA PRO 14 HA PRO 14 -5.402 -8.018 -15.875 116 HB2 PRO 14 HB3 PRO 14 -6.471 -6.587 -18.032 117 HB3 PRO 14 HB2 PRO 14 -4.845 -6.341 -17.364 118 HG2 PRO 14 HG3 PRO 14 -5.668 -7.999 -19.731 119 HG3 PRO 14 HG2 PRO 14 -4.309 -6.859 -19.568 120 HD2 PRO 14 HD3 PRO 14 -3.854 -9.472 -19.376 121 HD3 PRO 14 HD2 PRO 14 -3.037 -8.353 -18.260 122 H GLU 15 H GLU 15 -6.754 -10.247 -18.129 123 HA GLU 15 HA GLU 15 -9.482 -9.669 -18.083 124 HB2 GLU 15 HB3 GLU 15 -8.177 -12.417 -18.229 125 HB3 GLU 15 HB2 GLU 15 -9.814 -12.014 -18.748 126 HG2 GLU 15 HG3 GLU 15 -8.889 -10.511 -20.479 127 HG3 GLU 15 HG2 GLU 15 -7.256 -10.939 -19.965 128 H ALA 16 H ALA 16 -10.467 -9.220 -16.189 129 HA ALA 16 HA ALA 16 -10.991 -11.263 -14.208 130 HB1 ALA 16 HB1 ALA 16 -9.406 -8.771 -13.425 131 HB2 ALA 16 HB2 ALA 16 -8.781 -10.419 -13.438 132 HB3 ALA 16 HB3 ALA 16 -10.046 -9.968 -12.294 133 H GLU 17 H GLU 17 -11.992 -9.527 -12.184 134 HA GLU 17 HA GLU 17 -14.345 -8.323 -13.336 135 HB2 GLU 17 HB3 GLU 17 -13.210 -8.359 -10.508 136 HB3 GLU 17 HB2 GLU 17 -14.688 -7.502 -10.918 137 HG2 GLU 17 HG3 GLU 17 -15.217 -9.655 -9.930 138 HG3 GLU 17 HG2 GLU 17 -15.745 -9.593 -11.606 139 H ASN 18 H ASN 18 -14.852 -5.994 -12.204 140 HA ASN 18 HA ASN 18 -13.383 -4.059 -13.642 141 HB2 ASN 18 HB3 ASN 18 -15.355 -3.786 -11.340 142 HB3 ASN 18 HB2 ASN 18 -14.634 -2.386 -12.125 143 HD21 ASN 18 HD21 ASN 18 -15.621 -5.312 -13.893 144 HD22 ASN 18 HD22 ASN 18 -16.935 -4.557 -14.719 145 HA PRO 19 HA PRO 19 -9.823 -3.000 -10.985 146 HB2 PRO 19 HB3 PRO 19 -10.569 -0.172 -11.781 147 HB3 PRO 19 HB2 PRO 19 -8.979 -0.972 -11.826 148 HG2 PRO 19 HG3 PRO 19 -10.328 -0.635 -14.072 149 HG3 PRO 19 HG2 PRO 19 -9.480 -2.171 -13.770 150 HD2 PRO 19 HD3 PRO 19 -12.426 -1.564 -13.549 151 HD3 PRO 19 HD2 PRO 19 -11.617 -3.014 -14.188 152 H ALA 20 H ALA 20 -9.364 -1.994 -8.997 153 HA ALA 20 HA ALA 20 -9.624 -1.118 -6.950 154 HB1 ALA 20 HB1 ALA 20 -10.851 0.772 -7.932 155 HB2 ALA 20 HB2 ALA 20 -11.444 0.362 -6.321 156 HB3 ALA 20 HB3 ALA 20 -12.361 -0.117 -7.752 157 H GLU 21 H GLU 21 -11.830 -3.458 -8.192 158 HA GLU 21 HA GLU 21 -12.574 -4.347 -5.467 159 HB2 GLU 21 HB3 GLU 21 -13.716 -5.196 -8.173 160 HB3 GLU 21 HB2 GLU 21 -14.267 -5.776 -6.602 161 HG2 GLU 21 HG3 GLU 21 -14.919 -3.434 -6.004 162 HG3 GLU 21 HG2 GLU 21 -14.434 -2.926 -7.620 163 H ALA 22 H ALA 22 -12.222 -6.444 -8.349 164 HA ALA 22 HA ALA 22 -10.622 -8.317 -6.756 165 HB1 ALA 22 HB1 ALA 22 -12.557 -9.155 -8.023 166 HB2 ALA 22 HB2 ALA 22 -11.059 -9.923 -8.547 167 HB3 ALA 22 HB3 ALA 22 -11.791 -8.653 -9.533 168 H ASP 23 H ASP 23 -9.810 -5.722 -8.456 169 HA ASP 23 HA ASP 23 -7.507 -6.688 -9.940 170 HB2 ASP 23 HB3 ASP 23 -9.014 -4.640 -10.481 171 HB3 ASP 23 HB2 ASP 23 -8.196 -3.823 -9.159 172 H LEU 24 H LEU 24 -8.125 -6.558 -6.749 173 HA LEU 24 HA LEU 24 -6.314 -5.087 -5.324 174 HB2 LEU 24 HB3 LEU 24 -8.209 -6.473 -4.411 175 HB3 LEU 24 HB2 LEU 24 -7.260 -7.913 -4.716 176 HG LEU 24 HG LEU 24 -5.536 -7.011 -3.058 177 HD11 LEU 24 HD11 LEU 24 -6.190 -4.650 -3.046 178 HD12 LEU 24 HD12 LEU 24 -6.245 -5.329 -1.423 179 HD13 LEU 24 HD13 LEU 24 -7.744 -5.064 -2.318 180 HD21 LEU 24 HD21 LEU 24 -6.788 -7.785 -1.092 181 HD22 LEU 24 HD22 LEU 24 -7.088 -8.816 -2.488 182 HD23 LEU 24 HD23 LEU 24 -8.305 -7.639 -1.987 183 HA PRO 25 HA PRO 25 -2.385 -6.350 -6.872 184 HB2 PRO 25 HB3 PRO 25 -1.262 -5.770 -4.136 185 HB3 PRO 25 HB2 PRO 25 -0.797 -5.102 -5.716 186 HG2 PRO 25 HG3 PRO 25 -2.182 -3.627 -4.027 187 HG3 PRO 25 HG2 PRO 25 -2.578 -3.606 -5.761 188 HD2 PRO 25 HD3 PRO 25 -3.984 -5.063 -3.526 189 HD3 PRO 25 HD2 PRO 25 -4.674 -4.137 -4.879 190 H GLN 26 H GLN 26 -1.149 -8.161 -7.086 191 HA GLN 26 HA GLN 26 -1.958 -10.444 -5.372 192 HB2 GLN 26 HB3 GLN 26 -0.920 -10.532 -8.247 193 HB3 GLN 26 HB2 GLN 26 -1.596 -11.866 -7.326 194 HG2 GLN 26 HG3 GLN 26 -3.313 -11.272 -8.808 195 HG3 GLN 26 HG2 GLN 26 -3.792 -10.514 -7.289 196 HE21 GLN 26 HE21 GLN 26 -5.115 -9.010 -8.445 197 HE22 GLN 26 HE22 GLN 26 -4.420 -7.686 -9.307 198 H GLY 27 H GLY 27 -0.349 -10.911 -3.919 199 HA2 GLY 27 HA3 GLY 27 1.800 -12.234 -3.889 200 HA3 GLY 27 HA2 GLY 27 2.493 -10.919 -4.835 201 H ASP 28 H ASP 28 3.819 -11.484 -2.654 202 HA ASP 28 HA ASP 28 2.891 -10.418 -0.186 203 HB2 ASP 28 HB3 ASP 28 4.563 -12.212 -0.255 204 HB3 ASP 28 HB2 ASP 28 5.693 -11.180 -1.120 205 H ILE 29 H ILE 29 5.153 -9.143 -2.643 206 HA ILE 29 HA ILE 29 5.819 -6.757 -1.186 207 HB ILE 29 HB ILE 29 6.166 -7.331 -4.173 208 HG12 ILE 29 HG13 ILE 29 7.327 -9.020 -2.832 209 HG13 ILE 29 HG12 ILE 29 8.509 -7.947 -3.567 210 HG21 ILE 29 HG21 ILE 29 7.927 -5.595 -4.117 211 HG22 ILE 29 HG22 ILE 29 7.546 -5.248 -2.430 212 HG23 ILE 29 HG23 ILE 29 6.353 -4.922 -3.688 213 HD11 ILE 29 HD11 ILE 29 7.601 -7.899 -0.677 214 HD12 ILE 29 HD12 ILE 29 8.751 -6.769 -1.400 215 HD13 ILE 29 HD13 ILE 29 9.143 -8.482 -1.300 216 H GLU 30 H GLU 30 3.515 -7.585 -3.706 217 HA GLU 30 HA GLU 30 2.686 -4.965 -4.388 218 HB2 GLU 30 HB3 GLU 30 1.317 -7.668 -4.747 219 HB3 GLU 30 HB2 GLU 30 0.728 -6.166 -5.440 220 HG2 GLU 30 HG3 GLU 30 1.889 -7.439 -7.130 221 HG3 GLU 30 HG2 GLU 30 2.783 -5.961 -6.788 222 H LYS 31 H LYS 31 1.510 -7.354 -2.008 223 HA LYS 31 HA LYS 31 -0.812 -5.840 -1.228 224 HB2 LYS 31 HB3 LYS 31 -1.276 -7.545 0.316 225 HB3 LYS 31 HB2 LYS 31 -0.370 -8.409 -0.918 226 HG2 LYS 31 HG3 LYS 31 1.684 -8.149 0.538 227 HG3 LYS 31 HG2 LYS 31 0.636 -7.475 1.783 228 HD2 LYS 31 HD3 LYS 31 -0.706 -9.669 1.623 229 HD3 LYS 31 HD2 LYS 31 0.647 -10.302 0.676 230 HE2 LYS 31 HE3 LYS 31 0.708 -9.308 3.541 231 HE3 LYS 31 HE2 LYS 31 0.952 -10.961 2.987 232 HZ1 LYS 31 HZ1 LYS 31 3.011 -10.267 1.934 233 HZ2 LYS 31 HZ2 LYS 31 3.026 -9.867 3.577 234 HZ3 LYS 31 HZ3 LYS 31 2.755 -8.666 2.421 235 H GLN 32 H GLN 32 2.548 -5.920 -0.247 236 HA GLN 32 HA GLN 32 2.353 -4.551 2.242 237 HB2 GLN 32 HB3 GLN 32 4.332 -5.905 1.582 238 HB3 GLN 32 HB2 GLN 32 4.702 -4.756 0.300 239 HG2 GLN 32 HG3 GLN 32 5.018 -2.991 2.067 240 HG3 GLN 32 HG2 GLN 32 4.788 -4.249 3.286 241 HE21 GLN 32 HE21 GLN 32 6.856 -4.109 4.143 242 HE22 GLN 32 HE22 GLN 32 8.283 -4.555 3.281 243 H VAL 33 H VAL 33 3.333 -3.487 -0.999 244 HA VAL 33 HA VAL 33 3.510 -0.724 -0.522 245 HB VAL 33 HB VAL 33 2.909 -2.209 -3.128 246 HG11 VAL 33 HG11 VAL 33 3.953 0.627 -2.766 247 HG12 VAL 33 HG12 VAL 33 2.349 0.179 -3.350 248 HG13 VAL 33 HG13 VAL 33 3.777 -0.222 -4.303 249 HG21 VAL 33 HG21 VAL 33 5.016 -2.943 -2.068 250 HG22 VAL 33 HG22 VAL 33 5.583 -1.272 -2.009 251 HG23 VAL 33 HG23 VAL 33 5.329 -2.066 -3.566 252 H ALA 34 H ALA 34 0.786 -2.802 -1.477 253 HA ALA 34 HA ALA 34 -1.179 -0.873 -2.011 254 HB1 ALA 34 HB1 ALA 34 -2.818 -2.634 -1.567 255 HB2 ALA 34 HB2 ALA 34 -1.575 -3.615 -0.777 256 HB3 ALA 34 HB3 ALA 34 -1.461 -3.262 -2.503 257 H ALA 35 H ALA 35 -0.319 -2.459 1.055 258 HA ALA 35 HA ALA 35 -2.282 -1.294 2.689 259 HB1 ALA 35 HB1 ALA 35 -0.858 -1.947 4.583 260 HB2 ALA 35 HB2 ALA 35 0.494 -2.227 3.479 261 HB3 ALA 35 HB3 ALA 35 -0.949 -3.236 3.382 262 H LEU 36 H LEU 36 1.014 -0.244 1.886 263 HA LEU 36 HA LEU 36 1.162 1.978 3.627 264 HB2 LEU 36 HB3 LEU 36 2.655 1.428 1.033 265 HB3 LEU 36 HB2 LEU 36 3.090 2.683 2.187 266 HG LEU 36 HG LEU 36 3.126 -0.312 2.759 267 HD11 LEU 36 HD11 LEU 36 5.450 1.592 2.319 268 HD12 LEU 36 HD12 LEU 36 4.913 0.325 1.214 269 HD13 LEU 36 HD13 LEU 36 5.574 -0.107 2.787 270 HD21 LEU 36 HD21 LEU 36 4.235 0.286 4.885 271 HD22 LEU 36 HD22 LEU 36 2.604 0.947 4.795 272 HD23 LEU 36 HD23 LEU 36 3.998 1.999 4.534 273 H TRP 37 H TRP 37 0.206 1.768 0.178 274 HA TRP 37 HA TRP 37 -0.264 4.538 -0.241 275 HB2 TRP 37 HB3 TRP 37 -1.417 2.091 -1.625 276 HB3 TRP 37 HB2 TRP 37 -1.799 3.729 -2.133 277 HD1 TRP 37 HD1 TRP 37 1.838 2.860 -1.233 278 HE1 TRP 37 HE1 TRP 37 3.227 2.885 -3.393 279 HE3 TRP 37 HE3 TRP 37 -1.933 3.390 -4.635 280 HZ2 TRP 37 HZ2 TRP 37 2.804 3.078 -6.160 281 HZ3 TRP 37 HZ3 TRP 37 -1.357 3.481 -7.019 282 HH2 TRP 37 HH2 TRP 37 0.964 3.330 -7.773 283 H GLN 38 H GLN 38 -2.390 1.917 0.915 284 HA GLN 38 HA GLN 38 -4.835 3.359 0.963 285 HB2 GLN 38 HB3 GLN 38 -3.908 0.888 2.471 286 HB3 GLN 38 HB2 GLN 38 -5.542 1.527 2.636 287 HG2 GLN 38 HG3 GLN 38 -6.046 1.100 0.334 288 HG3 GLN 38 HG2 GLN 38 -4.357 0.774 -0.044 289 HE21 GLN 38 HE21 GLN 38 -4.828 -1.250 -0.931 290 HE22 GLN 38 HE22 GLN 38 -5.315 -2.599 0.030 291 H GLN 39 H GLN 39 -2.175 3.235 3.215 292 HA GLN 39 HA GLN 39 -3.567 4.531 5.426 293 HB2 GLN 39 HB3 GLN 39 -0.598 3.948 4.984 294 HB3 GLN 39 HB2 GLN 39 -1.301 4.552 6.486 295 HG2 GLN 39 HG3 GLN 39 -2.485 2.506 6.863 296 HG3 GLN 39 HG2 GLN 39 -2.121 1.926 5.237 297 HE21 GLN 39 HE21 GLN 39 -1.078 0.055 5.896 298 HE22 GLN 39 HE22 GLN 39 0.444 0.059 6.722 299 H LEU 40 H LEU 40 -0.794 5.406 3.341 300 HA LEU 40 HA LEU 40 -0.470 8.030 4.267 301 HB2 LEU 40 HB3 LEU 40 0.529 6.471 1.881 302 HB3 LEU 40 HB2 LEU 40 0.834 8.192 1.956 303 HG LEU 40 HG LEU 40 2.771 6.916 2.742 304 HD11 LEU 40 HD11 LEU 40 2.438 9.159 3.685 305 HD12 LEU 40 HD12 LEU 40 3.231 8.095 4.842 306 HD13 LEU 40 HD13 LEU 40 1.517 8.474 5.028 307 HD21 LEU 40 HD21 LEU 40 1.734 4.905 3.648 308 HD22 LEU 40 HD22 LEU 40 1.036 5.826 4.981 309 HD23 LEU 40 HD23 LEU 40 2.787 5.643 4.854 310 H LEU 41 H LEU 41 -2.073 6.831 1.283 311 HA LEU 41 HA LEU 41 -3.022 9.465 0.501 312 HB2 LEU 41 HB3 LEU 41 -3.786 6.716 -0.573 313 HB3 LEU 41 HB2 LEU 41 -4.227 8.246 -1.308 314 HG LEU 41 HG LEU 41 -1.400 7.219 -1.024 315 HD11 LEU 41 HD11 LEU 41 -2.648 5.832 -2.595 316 HD12 LEU 41 HD12 LEU 41 -1.433 6.792 -3.431 317 HD13 LEU 41 HD13 LEU 41 -3.131 7.267 -3.504 318 HD21 LEU 41 HD21 LEU 41 -0.787 9.070 -2.538 319 HD22 LEU 41 HD22 LEU 41 -1.476 9.659 -1.028 320 HD23 LEU 41 HD23 LEU 41 -2.454 9.649 -2.499 321 H SER 42 H SER 42 -4.121 6.911 2.528 322 HA SER 42 HA SER 42 -5.920 6.531 3.827 323 HB2 SER 42 HB3 SER 42 -6.626 9.460 3.311 324 HB3 SER 42 HB2 SER 42 -7.233 8.460 4.634 325 HG SER 42 HG SER 42 -4.494 8.518 4.455 326 H THR 43 H THR 43 -6.233 5.427 1.508 327 HA THR 43 HA THR 43 -8.723 6.277 0.157 328 HB THR 43 HB THR 43 -7.973 4.797 -1.698 329 HG1 THR 43 HG1 THR 43 -6.445 3.357 -1.369 330 HG21 THR 43 HG21 THR 43 -7.128 7.103 -1.767 331 HG22 THR 43 HG22 THR 43 -5.879 5.998 -2.348 332 HG23 THR 43 HG23 THR 43 -5.783 6.661 -0.717 333 H GLY 44 H GLY 44 -10.317 4.697 -0.422 334 HA2 GLY 44 HA3 GLY 44 -11.066 2.793 1.522 335 HA3 GLY 44 HA2 GLY 44 -11.714 2.908 -0.111 336 H ASN 45 H ASN 45 -9.558 2.411 -1.666 337 HA ASN 45 HA ASN 45 -7.900 0.255 -0.804 338 HB2 ASN 45 HB3 ASN 45 -10.060 -0.995 -1.257 339 HB3 ASN 45 HB2 ASN 45 -10.014 -0.428 -2.923 340 HD21 ASN 45 HD21 ASN 45 -9.908 -2.559 -3.728 341 HD22 ASN 45 HD22 ASN 45 -8.492 -3.539 -3.581 342 H VAL 46 H VAL 46 -6.175 -0.020 -2.172 343 HA VAL 46 HA VAL 46 -6.172 1.308 -4.840 344 HB VAL 46 HB VAL 46 -3.661 1.501 -4.588 345 HG11 VAL 46 HG11 VAL 46 -3.657 3.505 -3.143 346 HG12 VAL 46 HG12 VAL 46 -5.253 3.073 -2.520 347 HG13 VAL 46 HG13 VAL 46 -5.050 3.491 -4.224 348 HG21 VAL 46 HG21 VAL 46 -2.643 1.313 -2.358 349 HG22 VAL 46 HG22 VAL 46 -3.361 -0.216 -2.840 350 HG23 VAL 46 HG23 VAL 46 -4.184 0.813 -1.672 351 H THR 47 H THR 47 -5.172 0.082 -6.499 352 HA THR 47 HA THR 47 -4.858 -2.802 -5.924 353 HB THR 47 HB THR 47 -6.070 -3.210 -8.086 354 HG1 THR 47 HG1 THR 47 -6.499 -1.532 -9.284 355 HG21 THR 47 HG21 THR 47 -7.681 -1.740 -5.967 356 HG22 THR 47 HG22 THR 47 -7.234 -3.447 -5.920 357 HG23 THR 47 HG23 THR 47 -8.319 -2.858 -7.178 358 H ARG 48 H ARG 48 -4.121 -3.906 -8.152 359 HA ARG 48 HA ARG 48 -1.396 -3.423 -8.235 360 HB2 ARG 48 HB3 ARG 48 -1.281 -5.005 -10.138 361 HB3 ARG 48 HB2 ARG 48 -2.355 -5.594 -8.874 362 HG2 ARG 48 HG3 ARG 48 -4.312 -4.975 -10.150 363 HG3 ARG 48 HG2 ARG 48 -3.323 -4.165 -11.358 364 HD2 ARG 48 HD3 ARG 48 -2.412 -6.310 -12.107 365 HD3 ARG 48 HD2 ARG 48 -3.300 -7.158 -10.827 366 HE ARG 48 HE ARG 48 -5.016 -5.564 -12.440 367 HH11 ARG 48 HH11 ARG 48 -3.363 -8.675 -12.557 368 HH12 ARG 48 HH12 ARG 48 -4.527 -9.370 -13.639 369 HH21 ARG 48 HH21 ARG 48 -6.583 -6.494 -13.708 370 HH22 ARG 48 HH22 ARG 48 -6.380 -8.114 -14.296 371 H GLU 49 H GLU 49 -3.893 -2.046 -10.320 372 HA GLU 49 HA GLU 49 -1.802 -0.577 -11.829 373 HB2 GLU 49 HB3 GLU 49 -4.504 -1.544 -12.841 374 HB3 GLU 49 HB2 GLU 49 -3.400 -0.509 -13.744 375 HG2 GLU 49 HG3 GLU 49 -1.667 -2.328 -13.602 376 HG3 GLU 49 HG2 GLU 49 -2.879 -3.356 -12.845 377 H THR 50 H THR 50 -3.393 0.122 -9.306 378 HA THR 50 HA THR 50 -4.487 2.701 -10.043 379 HB THR 50 HB THR 50 -3.587 1.602 -7.327 380 HG1 THR 50 HG1 THR 50 -5.705 1.016 -8.772 381 HG21 THR 50 HG21 THR 50 -3.540 4.072 -7.285 382 HG22 THR 50 HG22 THR 50 -4.890 3.461 -6.330 383 HG23 THR 50 HG23 THR 50 -5.180 4.134 -7.936 384 H ASP 51 H ASP 51 -3.311 4.567 -10.267 385 HA ASP 51 HA ASP 51 -0.419 4.596 -9.768 386 HB2 ASP 51 HB3 ASP 51 -0.993 5.425 -11.956 387 HB3 ASP 51 HB2 ASP 51 -2.262 6.458 -11.311 388 H PHE 52 H PHE 52 0.495 5.883 -8.322 389 HA PHE 52 HA PHE 52 -0.828 6.686 -5.966 390 HB2 PHE 52 HB3 PHE 52 1.575 5.991 -6.147 391 HB3 PHE 52 HB2 PHE 52 1.933 7.465 -7.036 392 HD1 PHE 52 HD1 PHE 52 0.984 6.087 -3.736 393 HD2 PHE 52 HD2 PHE 52 2.256 9.574 -5.859 394 HE1 PHE 52 HE1 PHE 52 1.436 7.222 -1.608 395 HE2 PHE 52 HE2 PHE 52 2.710 10.700 -3.720 396 HZ PHE 52 HZ PHE 52 2.300 9.524 -1.599 397 H PHE 53 H PHE 53 0.419 8.506 -8.752 398 HA PHE 53 HA PHE 53 -0.145 11.099 -7.618 399 HB2 PHE 53 HB3 PHE 53 0.789 10.293 -10.402 400 HB3 PHE 53 HB2 PHE 53 0.676 11.955 -9.825 401 HD1 PHE 53 HD1 PHE 53 2.259 12.814 -8.106 402 HD2 PHE 53 HD2 PHE 53 2.624 8.823 -9.604 403 HE1 PHE 53 HE1 PHE 53 4.526 12.661 -7.158 404 HE2 PHE 53 HE2 PHE 53 4.895 8.689 -8.661 405 HZ PHE 53 HZ PHE 53 5.848 10.602 -7.438 406 H GLN 54 H GLN 54 -1.730 8.954 -9.912 407 HA GLN 54 HA GLN 54 -3.713 10.813 -10.817 408 HB2 GLN 54 HB3 GLN 54 -3.103 8.747 -12.085 409 HB3 GLN 54 HB2 GLN 54 -3.803 7.762 -10.808 410 HG2 GLN 54 HG3 GLN 54 -5.336 7.915 -12.698 411 HG3 GLN 54 HG2 GLN 54 -6.035 8.720 -11.294 412 HE21 GLN 54 HE21 GLN 54 -6.285 10.972 -11.334 413 HE22 GLN 54 HE22 GLN 54 -6.134 11.900 -12.781 414 H GLN 55 H GLN 55 -3.453 8.540 -8.150 415 HA GLN 55 HA GLN 55 -6.131 8.707 -7.177 416 HB2 GLN 55 HB3 GLN 55 -4.392 6.897 -6.658 417 HB3 GLN 55 HB2 GLN 55 -3.624 8.041 -5.565 418 HG2 GLN 55 HG3 GLN 55 -4.993 6.561 -4.261 419 HG3 GLN 55 HG2 GLN 55 -5.762 8.147 -4.259 420 HE21 GLN 55 HE21 GLN 55 -7.806 7.357 -3.793 421 HE22 GLN 55 HE22 GLN 55 -8.731 6.397 -4.893 422 H GLY 56 H GLY 56 -3.398 10.838 -7.000 423 HA2 GLY 56 HA3 GLY 56 -4.092 13.190 -6.598 424 HA3 GLY 56 HA2 GLY 56 -4.869 12.633 -5.125 425 H GLY 57 H GLY 57 -2.137 10.838 -5.237 426 HA2 GLY 57 HA3 GLY 57 -0.802 12.293 -3.161 427 HA3 GLY 57 HA2 GLY 57 -0.225 10.837 -3.956 428 H ASP 58 H ASP 58 1.016 13.591 -3.231 429 HA ASP 58 HA ASP 58 1.949 14.489 -5.898 430 HB2 ASP 58 HB3 ASP 58 2.011 15.827 -3.145 431 HB3 ASP 58 HB2 ASP 58 2.850 16.479 -4.551 432 H SER 59 H SER 59 4.340 15.478 -5.477 433 HA SER 59 HA SER 59 6.023 13.193 -5.442 434 HB2 SER 59 HB3 SER 59 7.860 14.876 -5.849 435 HB3 SER 59 HB2 SER 59 6.489 15.055 -6.944 436 HG SER 59 HG SER 59 6.929 17.081 -6.250 437 H LEU 60 H LEU 60 5.446 15.763 -3.068 438 HA LEU 60 HA LEU 60 7.522 15.095 -1.255 439 HB2 LEU 60 HB3 LEU 60 6.207 17.258 -1.298 440 HB3 LEU 60 HB2 LEU 60 4.839 16.412 -0.607 441 HG LEU 60 HG LEU 60 6.255 17.844 0.996 442 HD11 LEU 60 HD11 LEU 60 6.070 16.340 2.910 443 HD12 LEU 60 HD12 LEU 60 5.898 14.949 1.839 444 HD13 LEU 60 HD13 LEU 60 4.652 16.194 1.871 445 HD21 LEU 60 HD21 LEU 60 8.480 17.217 0.161 446 HD22 LEU 60 HD22 LEU 60 8.250 15.563 0.733 447 HD23 LEU 60 HD23 LEU 60 8.338 16.894 1.888 448 H LEU 61 H LEU 61 4.100 14.140 -1.446 449 HA LEU 61 HA LEU 61 4.072 12.384 0.785 450 HB2 LEU 61 HB3 LEU 61 2.109 13.441 -0.797 451 HB3 LEU 61 HB2 LEU 61 2.196 11.848 -1.524 452 HG LEU 61 HG LEU 61 1.508 12.506 1.379 453 HD11 LEU 61 HD11 LEU 61 -0.186 11.308 -0.832 454 HD12 LEU 61 HD12 LEU 61 -0.336 12.925 -0.140 455 HD13 LEU 61 HD13 LEU 61 -0.685 11.513 0.850 456 HD21 LEU 61 HD21 LEU 61 1.758 9.750 0.137 457 HD22 LEU 61 HD22 LEU 61 1.116 10.101 1.745 458 HD23 LEU 61 HD23 LEU 61 2.806 10.440 1.379 459 H ALA 62 H ALA 62 4.911 12.002 -2.615 460 HA ALA 62 HA ALA 62 5.159 9.200 -2.771 461 HB1 ALA 62 HB1 ALA 62 5.090 10.669 -4.746 462 HB2 ALA 62 HB2 ALA 62 6.510 9.622 -4.776 463 HB3 ALA 62 HB3 ALA 62 6.674 11.324 -4.328 464 H THR 63 H THR 63 7.415 11.722 -1.699 465 HA THR 63 HA THR 63 9.744 10.088 -1.444 466 HB THR 63 HB THR 63 9.072 12.729 -0.051 467 HG1 THR 63 HG1 THR 63 9.215 12.364 -2.564 468 HG21 THR 63 HG21 THR 63 11.780 11.447 -0.626 469 HG22 THR 63 HG22 THR 63 11.042 11.613 0.969 470 HG23 THR 63 HG23 THR 63 11.526 13.050 0.070 471 H ARG 64 H ARG 64 7.114 10.990 0.775 472 HA ARG 64 HA ARG 64 8.164 9.696 3.112 473 HB2 ARG 64 HB3 ARG 64 5.338 10.593 2.402 474 HB3 ARG 64 HB2 ARG 64 5.767 9.900 3.962 475 HG2 ARG 64 HG3 ARG 64 7.395 11.795 4.288 476 HG3 ARG 64 HG2 ARG 64 6.781 12.518 2.800 477 HD2 ARG 64 HD3 ARG 64 4.557 12.755 3.774 478 HD3 ARG 64 HD2 ARG 64 5.054 11.874 5.224 479 HE ARG 64 HE ARG 64 6.515 14.333 4.601 480 HH11 ARG 64 HH11 ARG 64 4.001 12.843 6.572 481 HH12 ARG 64 HH12 ARG 64 3.999 14.115 7.753 482 HH21 ARG 64 HH21 ARG 64 6.512 15.994 6.167 483 HH22 ARG 64 HH22 ARG 64 5.428 15.907 7.523 484 H LEU 65 H LEU 65 6.087 8.684 0.461 485 HA LEU 65 HA LEU 65 5.121 6.236 1.543 486 HB2 LEU 65 HB3 LEU 65 4.111 7.580 -0.367 487 HB3 LEU 65 HB2 LEU 65 5.419 7.038 -1.397 488 HG LEU 65 HG LEU 65 3.202 5.831 -1.702 489 HD11 LEU 65 HD11 LEU 65 4.100 3.588 -2.003 490 HD12 LEU 65 HD12 LEU 65 5.486 3.967 -0.982 491 HD13 LEU 65 HD13 LEU 65 5.279 4.791 -2.528 492 HD21 LEU 65 HD21 LEU 65 2.502 4.129 -0.076 493 HD22 LEU 65 HD22 LEU 65 2.507 5.729 0.656 494 HD23 LEU 65 HD23 LEU 65 3.814 4.596 1.009 495 H THR 66 H THR 66 7.711 7.031 -0.743 496 HA THR 66 HA THR 66 8.742 4.400 -1.051 497 HB THR 66 HB THR 66 10.710 5.588 -2.071 498 HG1 THR 66 HG1 THR 66 9.476 8.053 -2.003 499 HG21 THR 66 HG21 THR 66 7.989 6.553 -3.020 500 HG22 THR 66 HG22 THR 66 8.762 5.033 -3.472 501 HG23 THR 66 HG23 THR 66 9.471 6.566 -3.981 502 H GLY 67 H GLY 67 9.353 7.027 1.179 503 HA2 GLY 67 HA3 GLY 67 11.595 6.014 2.574 504 HA3 GLY 67 HA2 GLY 67 10.409 7.153 3.199 505 H GLN 68 H GLN 68 8.109 5.369 2.929 506 HA GLN 68 HA GLN 68 8.155 3.871 5.319 507 HB2 GLN 68 HB3 GLN 68 6.354 3.529 2.887 508 HB3 GLN 68 HB2 GLN 68 6.082 2.736 4.433 509 HG2 GLN 68 HG3 GLN 68 6.079 5.735 3.980 510 HG3 GLN 68 HG2 GLN 68 4.648 4.718 4.124 511 HE21 GLN 68 HE21 GLN 68 5.530 7.000 5.771 512 HE22 GLN 68 HE22 GLN 68 5.631 6.404 7.389 513 H LEU 69 H LEU 69 8.601 2.893 1.947 514 HA LEU 69 HA LEU 69 9.055 0.136 2.396 515 HB2 LEU 69 HB3 LEU 69 9.772 1.993 0.103 516 HB3 LEU 69 HB2 LEU 69 10.155 0.276 0.061 517 HG LEU 69 HG LEU 69 7.316 1.294 0.478 518 HD11 LEU 69 HD11 LEU 69 8.085 2.120 -1.681 519 HD12 LEU 69 HD12 LEU 69 6.884 0.848 -1.884 520 HD13 LEU 69 HD13 LEU 69 8.596 0.495 -2.147 521 HD21 LEU 69 HD21 LEU 69 6.679 -0.990 -0.196 522 HD22 LEU 69 HD22 LEU 69 7.709 -1.004 1.235 523 HD23 LEU 69 HD23 LEU 69 8.381 -1.432 -0.341 524 H HIS 70 H HIS 70 11.264 2.927 2.380 525 HA HIS 70 HA HIS 70 13.722 1.560 2.578 526 HB2 HIS 70 HB3 HIS 70 12.904 4.264 3.713 527 HB3 HIS 70 HB2 HIS 70 14.553 3.656 3.805 528 HD1 HIS 70 HD1 HIS 70 14.149 6.227 2.385 529 HD2 HIS 70 HD2 HIS 70 13.907 2.571 0.445 530 HE1 HIS 70 HE1 HIS 70 14.670 6.716 -0.018 531 HE2 HIS 70 HE2 HIS 70 14.355 4.527 -1.195 532 H GLN 71 H GLN 71 11.386 2.461 5.061 533 HA GLN 71 HA GLN 71 12.861 1.503 7.327 534 HB2 GLN 71 HB3 GLN 71 9.852 1.933 7.024 535 HB3 GLN 71 HB2 GLN 71 10.734 1.791 8.545 536 HG2 GLN 71 HG3 GLN 71 11.983 3.875 7.984 537 HG3 GLN 71 HG2 GLN 71 11.038 4.017 6.510 538 HE21 GLN 71 HE21 GLN 71 8.877 4.652 6.632 539 HE22 GLN 71 HE22 GLN 71 8.182 5.332 8.059 540 H ALA 72 H ALA 72 10.700 0.036 4.998 541 HA ALA 72 HA ALA 72 10.309 -2.473 6.371 542 HB1 ALA 72 HB1 ALA 72 9.285 -3.209 4.254 543 HB2 ALA 72 HB2 ALA 72 9.863 -1.746 3.447 544 HB3 ALA 72 HB3 ALA 72 8.668 -1.630 4.740 545 H GLY 73 H GLY 73 12.818 -1.139 4.391 546 HA2 GLY 73 HA3 GLY 73 14.984 -2.063 4.160 547 HA3 GLY 73 HA2 GLY 73 14.333 -3.671 4.447 548 H TYR 74 H TYR 74 12.729 -1.578 2.205 549 HA TYR 74 HA TYR 74 13.983 -2.856 -0.159 550 HB2 TYR 74 HB3 TYR 74 11.086 -1.900 0.199 551 HB3 TYR 74 HB2 TYR 74 11.766 -2.519 -1.308 552 HD1 TYR 74 HD1 TYR 74 10.626 -3.448 2.101 553 HD2 TYR 74 HD2 TYR 74 12.182 -4.928 -1.599 554 HE1 TYR 74 HE1 TYR 74 10.083 -5.748 2.789 555 HE2 TYR 74 HE2 TYR 74 11.630 -7.218 -0.909 556 HH TYR 74 HH TYR 74 9.645 -7.967 1.699 557 H GLU 75 H GLU 75 15.011 -1.396 -1.471 558 HA GLU 75 HA GLU 75 14.870 1.419 -0.899 559 HB2 GLU 75 HB3 GLU 75 16.521 1.703 -2.722 560 HB3 GLU 75 HB2 GLU 75 17.016 0.492 -1.548 561 HG2 GLU 75 HG3 GLU 75 16.382 -1.310 -3.094 562 HG3 GLU 75 HG2 GLU 75 15.803 -0.122 -4.258 563 H ALA 76 H ALA 76 13.827 2.947 -1.941 564 HA ALA 76 HA ALA 76 12.457 2.644 -4.473 565 HB1 ALA 76 HB1 ALA 76 10.855 1.597 -2.900 566 HB2 ALA 76 HB2 ALA 76 10.220 3.117 -3.526 567 HB3 ALA 76 HB3 ALA 76 10.883 3.046 -1.890 568 H GLN 77 H GLN 77 12.679 4.564 -5.428 569 HA GLN 77 HA GLN 77 12.996 7.037 -3.808 570 HB2 GLN 77 HB3 GLN 77 14.051 6.492 -6.634 571 HB3 GLN 77 HB2 GLN 77 14.296 7.963 -5.701 572 HG2 GLN 77 HG3 GLN 77 15.453 5.227 -5.152 573 HG3 GLN 77 HG2 GLN 77 16.326 6.675 -5.655 574 HE21 GLN 77 HE21 GLN 77 16.613 8.362 -4.071 575 HE22 GLN 77 HE22 GLN 77 16.511 8.027 -2.380 576 H LEU 78 H LEU 78 12.190 8.983 -4.839 577 HA LEU 78 HA LEU 78 9.535 9.010 -5.630 578 HB2 LEU 78 HB3 LEU 78 11.145 10.894 -4.798 579 HB3 LEU 78 HB2 LEU 78 11.541 11.141 -6.485 580 HG LEU 78 HG LEU 78 8.729 11.452 -5.321 581 HD11 LEU 78 HD11 LEU 78 10.811 13.584 -5.926 582 HD12 LEU 78 HD12 LEU 78 10.263 13.074 -4.327 583 HD13 LEU 78 HD13 LEU 78 9.145 13.878 -5.420 584 HD21 LEU 78 HD21 LEU 78 9.816 12.352 -8.021 585 HD22 LEU 78 HD22 LEU 78 8.195 12.675 -7.392 586 HD23 LEU 78 HD23 LEU 78 8.688 11.022 -7.752 587 H SER 79 H SER 79 12.462 8.920 -7.616 588 HA SER 79 HA SER 79 11.350 9.182 -10.174 589 HB2 SER 79 HB3 SER 79 13.855 7.691 -9.310 590 HB3 SER 79 HB2 SER 79 13.465 8.128 -10.978 591 HG SER 79 HG SER 79 13.443 10.334 -10.278 592 H ASP 80 H ASP 80 11.598 6.310 -8.084 593 HA ASP 80 HA ASP 80 10.883 4.368 -10.054 594 HB2 ASP 80 HB3 ASP 80 10.635 4.279 -7.010 595 HB3 ASP 80 HB2 ASP 80 10.224 2.917 -8.050 596 H LEU 81 H LEU 81 8.963 6.332 -7.778 597 HA LEU 81 HA LEU 81 6.439 5.153 -8.495 598 HB2 LEU 81 HB3 LEU 81 7.310 7.445 -6.777 599 HB3 LEU 81 HB2 LEU 81 5.698 7.608 -7.447 600 HG LEU 81 HG LEU 81 6.645 5.296 -5.699 601 HD11 LEU 81 HD11 LEU 81 4.713 7.557 -5.079 602 HD12 LEU 81 HD12 LEU 81 6.365 7.414 -4.470 603 HD13 LEU 81 HD13 LEU 81 5.152 6.226 -4.002 604 HD21 LEU 81 HD21 LEU 81 4.285 4.568 -5.706 605 HD22 LEU 81 HD22 LEU 81 4.973 4.527 -7.326 606 HD23 LEU 81 HD23 LEU 81 3.887 5.840 -6.864 607 H PHE 82 H PHE 82 8.288 7.847 -9.768 608 HA PHE 82 HA PHE 82 6.082 8.898 -11.351 609 HB2 PHE 82 HB3 PHE 82 7.956 10.297 -10.238 610 HB3 PHE 82 HB2 PHE 82 9.000 9.756 -11.550 611 HD1 PHE 82 HD1 PHE 82 5.786 11.539 -10.831 612 HD2 PHE 82 HD2 PHE 82 8.926 10.896 -13.670 613 HE1 PHE 82 HE1 PHE 82 4.894 13.354 -12.237 614 HE2 PHE 82 HE2 PHE 82 8.028 12.717 -15.062 615 HZ PHE 82 HZ PHE 82 6.017 13.948 -14.349 616 H ASN 83 H ASN 83 8.833 6.759 -11.823 617 HA ASN 83 HA ASN 83 8.491 6.617 -14.729 618 HB2 ASN 83 HB3 ASN 83 10.755 6.384 -13.769 619 HB3 ASN 83 HB2 ASN 83 10.254 4.973 -12.849 620 HD21 ASN 83 HD21 ASN 83 11.030 6.173 -16.056 621 HD22 ASN 83 HD22 ASN 83 11.182 4.621 -16.802 622 H HIS 84 H HIS 84 7.490 4.856 -11.866 623 HA HIS 84 HA HIS 84 5.963 2.928 -13.528 624 HB2 HIS 84 HB3 HIS 84 7.072 2.381 -10.742 625 HB3 HIS 84 HB2 HIS 84 6.245 1.240 -11.794 626 HD1 HIS 84 HD1 HIS 84 7.672 -0.014 -13.485 627 HD2 HIS 84 HD2 HIS 84 9.766 2.967 -11.486 628 HE1 HIS 84 HE1 HIS 84 10.087 -0.375 -14.061 629 HE2 HIS 84 HE2 HIS 84 11.342 1.335 -12.713 630 HA PRO 85 HA PRO 85 2.869 5.614 -11.296 631 HB2 PRO 85 HB3 PRO 85 1.215 4.399 -13.522 632 HB3 PRO 85 HB2 PRO 85 1.296 6.085 -12.956 633 HG2 PRO 85 HG3 PRO 85 2.464 5.382 -15.230 634 HG3 PRO 85 HG2 PRO 85 3.261 6.536 -14.132 635 HD2 PRO 85 HD3 PRO 85 3.843 3.609 -14.550 636 HD3 PRO 85 HD2 PRO 85 4.966 4.970 -14.314 637 H ARG 86 H ARG 86 2.316 2.405 -12.728 638 HA ARG 86 HA ARG 86 0.096 1.709 -11.076 639 HB2 ARG 86 HB3 ARG 86 1.848 0.133 -12.996 640 HB3 ARG 86 HB2 ARG 86 0.609 -0.665 -12.035 641 HG2 ARG 86 HG3 ARG 86 -0.292 -0.238 -14.224 642 HG3 ARG 86 HG2 ARG 86 -1.107 0.805 -13.064 643 HD2 ARG 86 HD3 ARG 86 0.479 2.656 -13.792 644 HD3 ARG 86 HD2 ARG 86 0.985 1.587 -15.105 645 HE ARG 86 HE ARG 86 -1.845 1.897 -15.000 646 HH11 ARG 86 HH11 ARG 86 1.072 3.509 -16.149 647 HH12 ARG 86 HH12 ARG 86 0.224 4.394 -17.375 648 HH21 ARG 86 HH21 ARG 86 -2.920 3.069 -16.573 649 HH22 ARG 86 HH22 ARG 86 -2.034 4.141 -17.614 650 H LEU 87 H LEU 87 -0.009 0.521 -9.287 651 HA LEU 87 HA LEU 87 1.958 0.600 -7.358 652 HB2 LEU 87 HB3 LEU 87 -0.539 0.393 -7.113 653 HB3 LEU 87 HB2 LEU 87 -0.417 -1.312 -7.490 654 HG LEU 87 HG LEU 87 1.023 -0.121 -5.079 655 HD11 LEU 87 HD11 LEU 87 -0.912 -0.736 -3.702 656 HD12 LEU 87 HD12 LEU 87 -1.828 -1.175 -5.145 657 HD13 LEU 87 HD13 LEU 87 -1.334 0.500 -4.881 658 HD21 LEU 87 HD21 LEU 87 0.832 -2.413 -4.175 659 HD22 LEU 87 HD22 LEU 87 1.722 -2.383 -5.694 660 HD23 LEU 87 HD23 LEU 87 0.047 -2.937 -5.671 661 H ALA 88 H ALA 88 1.108 -2.054 -9.533 662 HA ALA 88 HA ALA 88 2.804 -4.009 -8.271 663 HB1 ALA 88 HB1 ALA 88 1.414 -4.079 -10.963 664 HB2 ALA 88 HB2 ALA 88 0.736 -4.638 -9.437 665 HB3 ALA 88 HB3 ALA 88 2.136 -5.458 -10.125 666 H ASP 89 H ASP 89 3.031 -1.949 -11.190 667 HA ASP 89 HA ASP 89 5.550 -2.922 -12.103 668 HB2 ASP 89 HB3 ASP 89 4.200 -0.217 -12.512 669 HB3 ASP 89 HB2 ASP 89 5.678 -0.702 -13.335 670 H PHE 90 H PHE 90 4.613 -0.533 -9.736 671 HA PHE 90 HA PHE 90 7.229 0.492 -9.164 672 HB2 PHE 90 HB3 PHE 90 5.280 1.876 -8.693 673 HB3 PHE 90 HB2 PHE 90 4.586 0.635 -7.649 674 HD1 PHE 90 HD1 PHE 90 7.886 2.468 -7.915 675 HD2 PHE 90 HD2 PHE 90 4.689 1.168 -5.390 676 HE1 PHE 90 HE1 PHE 90 8.984 3.506 -5.971 677 HE2 PHE 90 HE2 PHE 90 5.789 2.209 -3.464 678 HZ PHE 90 HZ PHE 90 7.939 3.378 -3.748 679 H ALA 91 H ALA 91 5.167 -2.084 -7.869 680 HA ALA 91 HA ALA 91 6.883 -2.790 -5.673 681 HB1 ALA 91 HB1 ALA 91 4.660 -4.373 -7.005 682 HB2 ALA 91 HB2 ALA 91 4.475 -3.267 -5.642 683 HB3 ALA 91 HB3 ALA 91 5.411 -4.749 -5.450 684 H ALA 92 H ALA 92 6.859 -3.456 -9.040 685 HA ALA 92 HA ALA 92 8.446 -5.877 -9.003 686 HB1 ALA 92 HB1 ALA 92 7.759 -4.011 -11.300 687 HB2 ALA 92 HB2 ALA 92 6.846 -5.439 -10.816 688 HB3 ALA 92 HB3 ALA 92 8.482 -5.619 -11.447 689 H THR 93 H THR 93 9.044 -2.408 -9.397 690 HA THR 93 HA THR 93 11.799 -2.729 -10.242 691 HB THR 93 HB THR 93 10.390 -0.841 -11.080 692 HG1 THR 93 HG1 THR 93 12.524 0.329 -9.631 693 HG21 THR 93 HG21 THR 93 9.148 -0.283 -9.033 694 HG22 THR 93 HG22 THR 93 9.993 1.134 -9.655 695 HG23 THR 93 HG23 THR 93 10.638 0.266 -8.262 696 H LEU 94 H LEU 94 10.268 -2.854 -7.230 697 HA LEU 94 HA LEU 94 12.206 -1.545 -5.593 698 HB2 LEU 94 HB3 LEU 94 10.300 -3.776 -4.796 699 HB3 LEU 94 HB2 LEU 94 11.201 -2.749 -3.687 700 HG LEU 94 HG LEU 94 8.914 -1.926 -5.501 701 HD11 LEU 94 HD11 LEU 94 7.758 -1.387 -3.414 702 HD12 LEU 94 HD12 LEU 94 9.142 -1.958 -2.479 703 HD13 LEU 94 HD13 LEU 94 8.218 -3.087 -3.475 704 HD21 LEU 94 HD21 LEU 94 10.554 -0.122 -5.527 705 HD22 LEU 94 HD22 LEU 94 10.626 -0.122 -3.763 706 HD23 LEU 94 HD23 LEU 94 9.138 0.350 -4.587 707 H ARG 95 H ARG 95 14.091 -2.244 -4.813 708 HA ARG 95 HA ARG 95 14.869 -5.105 -5.071 709 HB2 ARG 95 HB3 ARG 95 16.879 -2.826 -4.672 710 HB3 ARG 95 HB2 ARG 95 17.173 -4.467 -5.222 711 HG2 ARG 95 HG3 ARG 95 17.474 -3.218 -7.167 712 HG3 ARG 95 HG2 ARG 95 15.814 -3.784 -7.344 713 HD2 ARG 95 HD3 ARG 95 14.990 -1.600 -6.511 714 HD3 ARG 95 HD2 ARG 95 16.653 -1.035 -6.337 715 HE ARG 95 HE ARG 95 15.593 -1.830 -8.982 716 HH11 ARG 95 HH11 ARG 95 16.906 0.659 -6.873 717 HH12 ARG 95 HH12 ARG 95 17.127 1.802 -8.160 718 HH21 ARG 95 HH21 ARG 95 15.892 -0.321 -10.658 719 HH22 ARG 95 HH22 ARG 95 16.557 1.245 -10.308 720 H LYS 96 H LYS 96 15.221 -6.139 -3.122 721 HA LYS 96 HA LYS 96 14.635 -4.815 -0.666 722 HB2 LYS 96 HB3 LYS 96 14.194 -7.260 -1.138 723 HB3 LYS 96 HB2 LYS 96 15.923 -7.571 -1.004 724 HG2 LYS 96 HG3 LYS 96 15.954 -7.143 1.317 725 HG3 LYS 96 HG2 LYS 96 14.453 -6.212 1.269 726 HD2 LYS 96 HD3 LYS 96 13.265 -8.416 0.670 727 HD3 LYS 96 HD2 LYS 96 14.770 -9.237 1.099 728 HE2 LYS 96 HE3 LYS 96 14.605 -8.570 3.383 729 HE3 LYS 96 HE2 LYS 96 13.392 -7.335 3.020 730 HZ1 LYS 96 HZ1 LYS 96 11.816 -9.086 2.465 731 HZ2 LYS 96 HZ2 LYS 96 12.386 -9.261 4.045 732 HZ3 LYS 96 HZ3 LYS 96 12.967 -10.276 2.829 733 H THR 97 H THR 97 15.951 -3.397 0.203 734 HA THR 97 HA THR 97 18.617 -2.863 -0.366 735 HB THR 97 HB THR 97 17.115 -2.228 2.228 736 HG1 THR 97 HG1 THR 97 17.172 -0.936 -0.306 737 HG21 THR 97 HG21 THR 97 19.395 -0.725 0.878 738 HG22 THR 97 HG22 THR 97 19.529 -1.663 2.368 739 HG23 THR 97 HG23 THR 97 18.530 -0.209 2.327 740 H ASP 98 H ASP 98 20.582 -3.390 0.683 741 HA ASP 98 HA ASP 98 21.064 -5.766 2.018 742 HB2 ASP 98 HB3 ASP 98 22.573 -3.134 2.053 743 HB3 ASP 98 HB2 ASP 98 23.194 -4.559 2.879 744 H VAL 99 H VAL 99 20.921 -6.429 4.056 745 HA VAL 99 HA VAL 99 19.066 -5.258 5.786 746 HB VAL 99 HB VAL 99 21.086 -7.473 6.382 747 HG11 VAL 99 HG11 VAL 99 18.526 -6.759 7.863 748 HG12 VAL 99 HG12 VAL 99 20.169 -6.533 8.461 749 HG13 VAL 99 HG13 VAL 99 19.546 -8.162 8.198 750 HG21 VAL 99 HG21 VAL 99 19.641 -8.022 4.452 751 HG22 VAL 99 HG22 VAL 99 18.200 -7.678 5.411 752 HG23 VAL 99 HG23 VAL 99 19.239 -9.040 5.836 753 HA PRO 100 HA PRO 100 22.017 -2.339 7.760 754 HB2 PRO 100 HB3 PRO 100 19.608 -1.471 9.323 755 HB3 PRO 100 HB2 PRO 100 20.651 -0.532 8.232 756 HG2 PRO 100 HG3 PRO 100 18.151 -1.187 7.528 757 HG3 PRO 100 HG2 PRO 100 19.468 -1.130 6.332 758 HD2 PRO 100 HD3 PRO 100 18.275 -3.549 7.705 759 HD3 PRO 100 HD2 PRO 100 18.684 -3.310 5.987 760 H VAL 101 H VAL 101 22.488 -1.774 10.105 761 HA VAL 101 HA VAL 101 23.115 -2.295 12.203 762 HB VAL 101 HB VAL 101 21.009 -4.515 12.192 763 HG11 VAL 101 HG11 VAL 101 21.198 -4.453 14.655 764 HG12 VAL 101 HG12 VAL 101 22.496 -3.266 14.531 765 HG13 VAL 101 HG13 VAL 101 22.735 -4.900 13.908 766 HG21 VAL 101 HG21 VAL 101 20.002 -2.291 11.830 767 HG22 VAL 101 HG22 VAL 101 20.820 -1.672 13.265 768 HG23 VAL 101 HG23 VAL 101 19.579 -2.914 13.427 769 H GLU 102 H GLU 102 22.442 -5.378 10.506 770 HA GLU 102 HA GLU 102 24.843 -6.672 11.446 771 HB2 GLU 102 HB3 GLU 102 22.822 -7.554 9.330 772 HB3 GLU 102 HB2 GLU 102 24.048 -8.569 10.086 773 HG2 GLU 102 HG3 GLU 102 22.937 -8.234 12.296 774 HG3 GLU 102 HG2 GLU 102 21.696 -7.277 11.492 775 H GLN 103 H GLN 103 25.089 -4.198 9.672 776 HA GLN 103 HA GLN 103 26.839 -5.274 7.569 777 HB2 GLN 103 HB3 GLN 103 25.160 -3.557 6.890 778 HB3 GLN 103 HB2 GLN 103 25.838 -2.434 8.062 779 HG2 GLN 103 HG3 GLN 103 26.598 -1.898 5.799 780 HG3 GLN 103 HG2 GLN 103 27.957 -2.375 6.818 781 HE21 GLN 103 HE21 GLN 103 25.901 -3.345 4.153 782 HE22 GLN 103 HE22 GLN 103 26.934 -4.598 3.562 783 HA PRO 104 HA PRO 104 29.970 -4.072 10.758 784 HB2 PRO 104 HB3 PRO 104 31.609 -6.189 10.535 785 HB3 PRO 104 HB2 PRO 104 29.989 -6.393 11.239 786 HG2 PRO 104 HG3 PRO 104 30.945 -7.084 8.488 787 HG3 PRO 104 HG2 PRO 104 29.868 -8.000 9.564 788 HD2 PRO 104 HD3 PRO 104 29.021 -6.304 7.480 789 HD3 PRO 104 HD2 PRO 104 28.009 -6.880 8.823 790 H PHE 105 H PHE 105 29.838 -3.234 7.826 791 HA PHE 105 HA PHE 105 32.428 -3.435 6.667 792 HB2 PHE 105 HB3 PHE 105 30.366 -3.141 5.324 793 HB3 PHE 105 HB2 PHE 105 30.121 -1.548 6.020 794 HD1 PHE 105 HD1 PHE 105 32.428 -3.533 3.855 795 HD2 PHE 105 HD2 PHE 105 31.162 0.375 5.030 796 HE1 PHE 105 HE1 PHE 105 33.747 -2.555 2.026 797 HE2 PHE 105 HE2 PHE 105 32.485 1.349 3.197 798 HZ PHE 105 HZ PHE 105 33.777 -0.116 1.697 799 H VAL 106 H VAL 106 33.866 -2.710 8.231 800 HA VAL 106 HA VAL 106 35.393 -1.320 9.103 801 HB VAL 106 HB VAL 106 34.731 0.489 6.732 802 HG11 VAL 106 HG11 VAL 106 37.137 1.034 6.795 803 HG12 VAL 106 HG12 VAL 106 37.351 -0.006 8.203 804 HG13 VAL 106 HG13 VAL 106 36.351 1.445 8.320 805 HG21 VAL 106 HG21 VAL 106 36.453 -2.030 6.739 806 HG22 VAL 106 HG22 VAL 106 36.304 -0.888 5.401 807 HG23 VAL 106 HG23 VAL 106 34.903 -1.825 5.917 808 H HIS 107 H HIS 107 34.209 -0.828 11.022 809 HA HIS 107 HA HIS 107 32.510 1.430 11.332 810 HB2 HIS 107 HB3 HIS 107 32.515 -0.473 12.905 811 HB3 HIS 107 HB2 HIS 107 34.139 -0.055 13.438 812 HD1 HIS 107 HD1 HIS 107 30.623 1.396 13.448 813 HD2 HIS 107 HD2 HIS 107 34.174 1.714 15.579 814 HE1 HIS 107 HE1 HIS 107 30.115 2.921 15.375 815 HE2 HIS 107 HE2 HIS 107 32.214 2.908 16.758 816 H SER 108 H SER 108 35.993 0.959 11.905 817 HA SER 108 HA SER 108 36.349 3.901 12.108 818 HB2 SER 108 HB3 SER 108 38.577 3.285 13.182 819 HB3 SER 108 HB2 SER 108 37.151 2.855 14.129 820 HG SER 108 HG SER 108 38.889 1.191 12.661 821 HA PRO 109 HA PRO 109 38.352 2.958 8.049 822 HB2 PRO 109 HB3 PRO 109 37.457 5.083 6.668 823 HB3 PRO 109 HB2 PRO 109 36.360 3.738 7.051 824 HG2 PRO 109 HG3 PRO 109 36.630 6.393 8.425 825 HG3 PRO 109 HG2 PRO 109 35.155 5.522 7.947 826 HD2 PRO 109 HD3 PRO 109 36.213 5.461 10.507 827 HD3 PRO 109 HD2 PRO 109 35.181 4.184 9.824 828 H GLU 110 H GLU 110 39.046 4.940 10.537 829 HA GLU 110 HA GLU 110 41.496 5.984 9.353 830 HB2 GLU 110 HB3 GLU 110 39.790 7.803 9.060 831 HB3 GLU 110 HB2 GLU 110 39.457 7.762 10.789 832 HG2 GLU 110 HG3 GLU 110 41.813 8.462 11.233 833 HG3 GLU 110 HG2 GLU 110 42.082 8.567 9.491 834 H ASP 111 H ASP 111 43.103 5.567 10.772 835 HA ASP 111 HA ASP 111 42.908 5.984 13.590 836 HB2 ASP 111 HB3 ASP 111 41.796 3.719 13.403 837 HB3 ASP 111 HB2 ASP 111 43.271 3.083 12.676 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 19.054 16.911 -39.547 2 H2 GLY 1 H2 GLY 1 19.278 15.861 -40.850 3 H3 GLY 1 H3 GLY 1 20.361 15.843 -39.552 4 HA2 GLY 1 HA2 GLY 1 17.512 15.040 -39.455 5 HA3 GLY 1 HA3 GLY 1 18.891 13.953 -39.428 6 H THR 2 H THR 2 17.245 16.546 -37.665 7 HA THR 2 HA THR 2 18.620 15.956 -35.145 8 HB THR 2 HB THR 2 17.041 17.802 -34.268 9 HG1 THR 2 HG1 THR 2 15.532 18.413 -35.585 10 HG21 THR 2 HG21 THR 2 18.305 19.651 -35.309 11 HG22 THR 2 HG22 THR 2 18.907 18.545 -36.545 12 HG23 THR 2 HG23 THR 2 19.378 18.324 -34.859 13 H ILE 3 H ILE 3 15.808 14.950 -36.822 14 HA ILE 3 HA ILE 3 13.890 13.874 -36.381 15 HB ILE 3 HB ILE 3 15.309 12.766 -33.903 16 HG12 ILE 3 HG13 ILE 3 16.643 12.343 -35.977 17 HG13 ILE 3 HG12 ILE 3 16.013 10.848 -35.298 18 HG21 ILE 3 HG21 ILE 3 12.884 12.357 -33.823 19 HG22 ILE 3 HG22 ILE 3 13.734 10.844 -34.122 20 HG23 ILE 3 HG23 ILE 3 12.915 11.667 -35.449 21 HD11 ILE 3 HD11 ILE 3 14.910 12.326 -37.682 22 HD12 ILE 3 HD12 ILE 3 14.247 10.836 -37.005 23 HD13 ILE 3 HD13 ILE 3 15.865 10.844 -37.707 24 H ASP 4 H ASP 4 12.558 15.629 -36.046 25 HA ASP 4 HA ASP 4 12.506 17.194 -33.671 26 HB2 ASP 4 HB3 ASP 4 11.810 17.901 -36.055 27 HB3 ASP 4 HB2 ASP 4 10.289 17.069 -35.761 28 H TYR 5 H TYR 5 12.006 16.112 -31.830 29 HA TYR 5 HA TYR 5 10.064 14.019 -31.637 30 HB2 TYR 5 HB3 TYR 5 11.626 15.502 -29.490 31 HB3 TYR 5 HB2 TYR 5 10.570 14.130 -29.157 32 HD1 TYR 5 HD1 TYR 5 13.926 15.068 -29.924 33 HD2 TYR 5 HD2 TYR 5 11.083 11.934 -30.548 34 HE1 TYR 5 HE1 TYR 5 15.759 13.504 -30.432 35 HE2 TYR 5 HE2 TYR 5 12.912 10.376 -31.053 36 HH TYR 5 HH TYR 5 16.221 11.146 -30.495 37 H GLN 6 H GLN 6 9.680 17.372 -31.666 38 HA GLN 6 HA GLN 6 7.213 17.409 -30.110 39 HB2 GLN 6 HB3 GLN 6 8.674 19.388 -30.102 40 HB3 GLN 6 HB2 GLN 6 8.588 19.517 -31.854 41 HG2 GLN 6 HG3 GLN 6 7.198 21.217 -30.790 42 HG3 GLN 6 HG2 GLN 6 6.194 20.092 -31.699 43 HE21 GLN 6 HE21 GLN 6 7.540 19.474 -28.465 44 HE22 GLN 6 HE22 GLN 6 6.013 19.461 -27.659 45 H ALA 7 H ALA 7 8.272 17.026 -33.425 46 HA ALA 7 HA ALA 7 5.781 17.517 -34.753 47 HB1 ALA 7 HB1 ALA 7 8.214 15.989 -35.746 48 HB2 ALA 7 HB2 ALA 7 7.948 17.726 -35.901 49 HB3 ALA 7 HB3 ALA 7 6.881 16.599 -36.736 50 H LEU 8 H LEU 8 7.422 14.588 -33.584 51 HA LEU 8 HA LEU 8 5.177 12.885 -34.328 52 HB2 LEU 8 HB3 LEU 8 6.503 11.061 -33.202 53 HB3 LEU 8 HB2 LEU 8 7.325 11.847 -34.527 54 HG LEU 8 HG LEU 8 8.508 13.249 -32.592 55 HD11 LEU 8 HD11 LEU 8 8.917 11.984 -30.538 56 HD12 LEU 8 HD12 LEU 8 7.769 10.744 -31.048 57 HD13 LEU 8 HD13 LEU 8 7.208 12.381 -30.709 58 HD21 LEU 8 HD21 LEU 8 9.306 10.384 -33.190 59 HD22 LEU 8 HD22 LEU 8 10.361 11.645 -32.544 60 HD23 LEU 8 HD23 LEU 8 9.695 11.801 -34.165 61 H LYS 9 H LYS 9 3.607 12.133 -32.912 62 HA LYS 9 HA LYS 9 3.638 12.940 -30.099 63 HB2 LYS 9 HB3 LYS 9 2.664 14.896 -31.229 64 HB3 LYS 9 HB2 LYS 9 1.510 13.878 -32.084 65 HG2 LYS 9 HG3 LYS 9 0.394 13.309 -29.966 66 HG3 LYS 9 HG2 LYS 9 1.583 14.251 -29.062 67 HD2 LYS 9 HD3 LYS 9 -0.497 15.529 -29.313 68 HD3 LYS 9 HD2 LYS 9 0.799 16.321 -30.210 69 HE2 LYS 9 HE3 LYS 9 -0.067 15.277 -32.308 70 HE3 LYS 9 HE2 LYS 9 -1.385 14.558 -31.379 71 HZ1 LYS 9 HZ1 LYS 9 -2.097 16.573 -32.486 72 HZ2 LYS 9 HZ2 LYS 9 -0.895 17.476 -31.722 73 HZ3 LYS 9 HZ3 LYS 9 -2.145 16.790 -30.811 74 H ARG 10 H ARG 10 3.130 11.174 -29.054 75 HA ARG 10 HA ARG 10 1.537 9.012 -30.137 76 HB2 ARG 10 HB3 ARG 10 3.544 8.614 -28.687 77 HB3 ARG 10 HB2 ARG 10 2.727 9.415 -27.350 78 HG2 ARG 10 HG3 ARG 10 2.633 6.978 -27.097 79 HG3 ARG 10 HG2 ARG 10 1.012 7.642 -27.320 80 HD2 ARG 10 HD3 ARG 10 1.177 7.026 -29.762 81 HD3 ARG 10 HD2 ARG 10 2.702 6.214 -29.404 82 HE ARG 10 HE ARG 10 1.164 4.916 -27.725 83 HH11 ARG 10 HH11 ARG 10 0.342 5.909 -31.011 84 HH12 ARG 10 HH12 ARG 10 -0.752 4.580 -31.262 85 HH21 ARG 10 HH21 ARG 10 -0.242 3.140 -28.100 86 HH22 ARG 10 HH22 ARG 10 -1.083 3.014 -29.621 87 H ARG 11 H ARG 11 -0.571 8.528 -29.575 88 HA ARG 11 HA ARG 11 -2.058 10.285 -27.726 89 HB2 ARG 11 HB3 ARG 11 -3.013 8.136 -29.686 90 HB3 ARG 11 HB2 ARG 11 -4.075 9.051 -28.619 91 HG2 ARG 11 HG3 ARG 11 -3.435 11.142 -29.768 92 HG3 ARG 11 HG2 ARG 11 -2.371 10.224 -30.839 93 HD2 ARG 11 HD3 ARG 11 -4.332 8.940 -31.654 94 HD3 ARG 11 HD2 ARG 11 -5.386 9.916 -30.622 95 HE ARG 11 HE ARG 11 -4.001 11.707 -32.206 96 HH11 ARG 11 HH11 ARG 11 -6.213 9.036 -32.817 97 HH12 ARG 11 HH12 ARG 11 -6.830 9.727 -34.285 98 HH21 ARG 11 HH21 ARG 11 -4.842 12.614 -34.124 99 HH22 ARG 11 HH22 ARG 11 -6.052 11.748 -35.019 100 H HIS 12 H HIS 12 -3.609 9.140 -26.265 101 HA HIS 12 HA HIS 12 -2.255 7.197 -24.611 102 HB2 HIS 12 HB3 HIS 12 -5.123 8.253 -24.395 103 HB3 HIS 12 HB2 HIS 12 -4.257 7.360 -23.146 104 HD1 HIS 12 HD1 HIS 12 -3.339 8.841 -21.377 105 HD2 HIS 12 HD2 HIS 12 -3.570 10.793 -25.033 106 HE1 HIS 12 HE1 HIS 12 -2.558 11.186 -20.948 107 HE2 HIS 12 HE2 HIS 12 -2.502 12.258 -23.212 108 H THR 13 H THR 13 -3.279 5.100 -23.989 109 HA THR 13 HA THR 13 -4.366 3.714 -26.349 110 HB THR 13 HB THR 13 -3.810 1.625 -24.996 111 HG1 THR 13 HG1 THR 13 -3.750 2.430 -22.908 112 HG21 THR 13 HG21 THR 13 -1.377 1.770 -25.369 113 HG22 THR 13 HG22 THR 13 -1.486 3.525 -25.490 114 HG23 THR 13 HG23 THR 13 -2.248 2.510 -26.715 115 HA PRO 14 HA PRO 14 -8.279 3.963 -23.936 116 HB2 PRO 14 HB3 PRO 14 -10.002 4.211 -26.014 117 HB3 PRO 14 HB2 PRO 14 -8.949 5.556 -25.527 118 HG2 PRO 14 HG3 PRO 14 -8.659 3.679 -27.837 119 HG3 PRO 14 HG2 PRO 14 -8.309 5.419 -27.750 120 HD2 PRO 14 HD3 PRO 14 -6.398 3.368 -27.515 121 HD3 PRO 14 HD2 PRO 14 -6.166 5.055 -27.016 122 H GLU 15 H GLU 15 -9.160 2.157 -23.088 123 HA GLU 15 HA GLU 15 -10.431 0.116 -24.626 124 HB2 GLU 15 HB3 GLU 15 -7.951 -0.531 -24.785 125 HB3 GLU 15 HB2 GLU 15 -7.975 -0.790 -23.043 126 HG2 GLU 15 HG3 GLU 15 -9.793 -2.495 -23.387 127 HG3 GLU 15 HG2 GLU 15 -9.594 -2.289 -25.128 128 H ALA 16 H ALA 16 -11.791 -1.154 -23.305 129 HA ALA 16 HA ALA 16 -11.943 -0.378 -20.440 130 HB1 ALA 16 HB1 ALA 16 -14.224 -1.116 -22.318 131 HB2 ALA 16 HB2 ALA 16 -13.833 0.508 -21.750 132 HB3 ALA 16 HB3 ALA 16 -14.377 -0.715 -20.604 133 H GLU 17 H GLU 17 -11.853 -1.978 -18.990 134 HA GLU 17 HA GLU 17 -12.172 -4.822 -19.818 135 HB2 GLU 17 HB3 GLU 17 -10.192 -3.666 -17.788 136 HB3 GLU 17 HB2 GLU 17 -10.426 -5.377 -18.123 137 HG2 GLU 17 HG3 GLU 17 -9.704 -4.920 -20.514 138 HG3 GLU 17 HG2 GLU 17 -9.281 -3.288 -19.996 139 H ASN 18 H ASN 18 -11.966 -5.868 -17.122 140 HA ASN 18 HA ASN 18 -14.206 -4.548 -15.661 141 HB2 ASN 18 HB3 ASN 18 -14.677 -6.906 -16.390 142 HB3 ASN 18 HB2 ASN 18 -13.289 -7.461 -15.472 143 HD21 ASN 18 HD21 ASN 18 -16.326 -7.882 -15.324 144 HD22 ASN 18 HD22 ASN 18 -16.676 -7.684 -13.642 145 HA PRO 19 HA PRO 19 -10.460 -3.956 -13.012 146 HB2 PRO 19 HB3 PRO 19 -10.360 -1.238 -13.014 147 HB3 PRO 19 HB2 PRO 19 -9.805 -2.206 -14.391 148 HG2 PRO 19 HG3 PRO 19 -12.186 -0.492 -14.186 149 HG3 PRO 19 HG2 PRO 19 -11.345 -1.079 -15.635 150 HD2 PRO 19 HD3 PRO 19 -13.742 -2.181 -14.354 151 HD3 PRO 19 HD2 PRO 19 -12.995 -2.639 -15.900 152 H ALA 20 H ALA 20 -10.973 -4.507 -10.933 153 HA ALA 20 HA ALA 20 -12.035 -2.614 -9.098 154 HB1 ALA 20 HB1 ALA 20 -14.125 -3.716 -8.410 155 HB2 ALA 20 HB2 ALA 20 -13.938 -4.923 -9.687 156 HB3 ALA 20 HB3 ALA 20 -14.202 -3.230 -10.104 157 H GLU 21 H GLU 21 -12.330 -6.224 -9.185 158 HA GLU 21 HA GLU 21 -11.065 -6.245 -6.484 159 HB2 GLU 21 HB3 GLU 21 -13.207 -8.077 -7.639 160 HB3 GLU 21 HB2 GLU 21 -12.458 -8.289 -6.057 161 HG2 GLU 21 HG3 GLU 21 -13.340 -6.064 -5.362 162 HG3 GLU 21 HG2 GLU 21 -14.123 -5.903 -6.932 163 H ALA 22 H ALA 22 -11.149 -7.956 -9.612 164 HA ALA 22 HA ALA 22 -9.298 -10.021 -8.903 165 HB1 ALA 22 HB1 ALA 22 -9.126 -10.439 -11.329 166 HB2 ALA 22 HB2 ALA 22 -9.964 -8.919 -11.660 167 HB3 ALA 22 HB3 ALA 22 -10.809 -10.233 -10.843 168 H ASP 23 H ASP 23 -8.919 -6.707 -9.584 169 HA ASP 23 HA ASP 23 -6.118 -6.817 -10.363 170 HB2 ASP 23 HB3 ASP 23 -7.924 -4.421 -9.800 171 HB3 ASP 23 HB2 ASP 23 -6.301 -4.347 -10.485 172 H LEU 24 H LEU 24 -7.738 -7.027 -7.432 173 HA LEU 24 HA LEU 24 -6.380 -5.238 -5.733 174 HB2 LEU 24 HB3 LEU 24 -8.485 -6.504 -5.176 175 HB3 LEU 24 HB2 LEU 24 -7.527 -7.966 -5.036 176 HG LEU 24 HG LEU 24 -6.251 -6.839 -3.136 177 HD11 LEU 24 HD11 LEU 24 -7.272 -4.919 -2.004 178 HD12 LEU 24 HD12 LEU 24 -8.477 -4.790 -3.286 179 HD13 LEU 24 HD13 LEU 24 -6.774 -4.508 -3.644 180 HD21 LEU 24 HD21 LEU 24 -9.223 -7.278 -2.708 181 HD22 LEU 24 HD22 LEU 24 -7.986 -7.275 -1.446 182 HD23 LEU 24 HD23 LEU 24 -7.971 -8.521 -2.691 183 HA PRO 25 HA PRO 25 -2.190 -6.613 -6.186 184 HB2 PRO 25 HB3 PRO 25 -1.902 -5.751 -3.290 185 HB3 PRO 25 HB2 PRO 25 -0.900 -5.331 -4.702 186 HG2 PRO 25 HG3 PRO 25 -2.618 -3.551 -3.839 187 HG3 PRO 25 HG2 PRO 25 -2.521 -3.862 -5.590 188 HD2 PRO 25 HD3 PRO 25 -4.571 -4.860 -3.613 189 HD3 PRO 25 HD2 PRO 25 -4.808 -4.200 -5.249 190 H GLN 26 H GLN 26 -1.404 -8.563 -6.199 191 HA GLN 26 HA GLN 26 -1.844 -10.484 -3.980 192 HB2 GLN 26 HB3 GLN 26 -1.767 -10.958 -6.997 193 HB3 GLN 26 HB2 GLN 26 -1.804 -12.249 -5.800 194 HG2 GLN 26 HG3 GLN 26 -4.012 -11.610 -5.075 195 HG3 GLN 26 HG2 GLN 26 -3.961 -10.148 -6.058 196 HE21 GLN 26 HE21 GLN 26 -4.379 -10.295 -8.264 197 HE22 GLN 26 HE22 GLN 26 -5.006 -11.729 -9.000 198 H GLY 27 H GLY 27 0.020 -10.975 -2.996 199 HA2 GLY 27 HA3 GLY 27 2.244 -12.118 -3.373 200 HA3 GLY 27 HA2 GLY 27 2.608 -10.774 -4.456 201 H ASP 28 H ASP 28 4.211 -11.384 -2.245 202 HA ASP 28 HA ASP 28 3.574 -10.013 0.139 203 HB2 ASP 28 HB3 ASP 28 6.223 -10.976 -1.006 204 HB3 ASP 28 HB2 ASP 28 6.160 -10.124 0.537 205 H ILE 29 H ILE 29 5.488 -8.968 -2.678 206 HA ILE 29 HA ILE 29 6.275 -6.454 -1.558 207 HB ILE 29 HB ILE 29 6.184 -7.183 -4.529 208 HG12 ILE 29 HG13 ILE 29 7.500 -8.887 -3.320 209 HG13 ILE 29 HG12 ILE 29 8.560 -7.887 -4.301 210 HG21 ILE 29 HG21 ILE 29 7.972 -5.483 -4.766 211 HG22 ILE 29 HG22 ILE 29 7.848 -5.106 -3.047 212 HG23 ILE 29 HG23 ILE 29 6.488 -4.775 -4.121 213 HD11 ILE 29 HD11 ILE 29 9.263 -6.665 -2.288 214 HD12 ILE 29 HD12 ILE 29 9.552 -8.398 -2.153 215 HD13 ILE 29 HD13 ILE 29 8.189 -7.671 -1.308 216 H GLU 30 H GLU 30 3.684 -7.534 -3.722 217 HA GLU 30 HA GLU 30 2.692 -4.981 -4.452 218 HB2 GLU 30 HB3 GLU 30 1.369 -7.728 -4.509 219 HB3 GLU 30 HB2 GLU 30 0.634 -6.280 -5.183 220 HG2 GLU 30 HG3 GLU 30 1.615 -7.580 -6.970 221 HG3 GLU 30 HG2 GLU 30 2.513 -6.074 -6.792 222 H LYS 31 H LYS 31 1.721 -7.308 -1.911 223 HA LYS 31 HA LYS 31 -0.509 -5.780 -0.973 224 HB2 LYS 31 HB3 LYS 31 -0.712 -7.366 0.811 225 HB3 LYS 31 HB2 LYS 31 -0.194 -8.283 -0.598 226 HG2 LYS 31 HG3 LYS 31 2.097 -8.367 0.252 227 HG3 LYS 31 HG2 LYS 31 1.654 -7.365 1.635 228 HD2 LYS 31 HD3 LYS 31 0.093 -9.175 2.391 229 HD3 LYS 31 HD2 LYS 31 0.645 -10.179 1.045 230 HE2 LYS 31 HE3 LYS 31 2.943 -10.137 1.961 231 HE3 LYS 31 HE2 LYS 31 2.393 -9.125 3.302 232 HZ1 LYS 31 HZ1 LYS 31 2.534 -11.434 3.956 233 HZ2 LYS 31 HZ2 LYS 31 1.475 -11.889 2.722 234 HZ3 LYS 31 HZ3 LYS 31 0.922 -10.923 3.993 235 H GLN 32 H GLN 32 2.922 -5.789 -0.248 236 HA GLN 32 HA GLN 32 2.878 -4.376 2.205 237 HB2 GLN 32 HB3 GLN 32 4.840 -5.688 1.377 238 HB3 GLN 32 HB2 GLN 32 5.088 -4.503 0.102 239 HG2 GLN 32 HG3 GLN 32 6.670 -4.134 1.913 240 HG3 GLN 32 HG2 GLN 32 5.555 -2.772 1.810 241 HE21 GLN 32 HE21 GLN 32 5.918 -2.156 3.962 242 HE22 GLN 32 HE22 GLN 32 5.361 -3.086 5.307 243 H VAL 33 H VAL 33 3.668 -3.296 -1.099 244 HA VAL 33 HA VAL 33 3.763 -0.538 -0.707 245 HB VAL 33 HB VAL 33 2.932 -2.099 -3.207 246 HG11 VAL 33 HG11 VAL 33 3.584 -0.097 -4.504 247 HG12 VAL 33 HG12 VAL 33 3.858 0.791 -3.004 248 HG13 VAL 33 HG13 VAL 33 2.232 0.249 -3.420 249 HG21 VAL 33 HG21 VAL 33 5.287 -1.848 -3.909 250 HG22 VAL 33 HG22 VAL 33 5.172 -2.714 -2.375 251 HG23 VAL 33 HG23 VAL 33 5.658 -1.019 -2.392 252 H ALA 34 H ALA 34 1.025 -2.643 -1.539 253 HA ALA 34 HA ALA 34 -0.970 -0.743 -1.997 254 HB1 ALA 34 HB1 ALA 34 -1.181 -3.125 -2.560 255 HB2 ALA 34 HB2 ALA 34 -2.552 -2.562 -1.602 256 HB3 ALA 34 HB3 ALA 34 -1.282 -3.531 -0.846 257 H ALA 35 H ALA 35 -0.214 -2.530 1.009 258 HA ALA 35 HA ALA 35 -2.185 -1.480 2.669 259 HB1 ALA 35 HB1 ALA 35 -0.799 -2.260 4.548 260 HB2 ALA 35 HB2 ALA 35 0.588 -2.425 3.467 261 HB3 ALA 35 HB3 ALA 35 -0.831 -3.451 3.247 262 H LEU 36 H LEU 36 1.004 -0.220 1.844 263 HA LEU 36 HA LEU 36 1.090 1.935 3.705 264 HB2 LEU 36 HB3 LEU 36 2.499 1.680 1.012 265 HB3 LEU 36 HB2 LEU 36 2.938 2.791 2.303 266 HG LEU 36 HG LEU 36 3.114 -0.239 2.457 267 HD11 LEU 36 HD11 LEU 36 5.544 0.055 2.412 268 HD12 LEU 36 HD12 LEU 36 5.333 1.790 2.169 269 HD13 LEU 36 HD13 LEU 36 4.782 0.652 0.939 270 HD21 LEU 36 HD21 LEU 36 2.652 0.677 4.660 271 HD22 LEU 36 HD22 LEU 36 3.985 1.821 4.497 272 HD23 LEU 36 HD23 LEU 36 4.314 0.089 4.579 273 H TRP 37 H TRP 37 -0.005 1.662 0.318 274 HA TRP 37 HA TRP 37 -0.568 4.412 -0.117 275 HB2 TRP 37 HB3 TRP 37 -1.566 1.894 -1.503 276 HB3 TRP 37 HB2 TRP 37 -2.056 3.503 -2.019 277 HD1 TRP 37 HD1 TRP 37 1.623 3.101 -1.008 278 HE1 TRP 37 HE1 TRP 37 3.076 3.175 -3.129 279 HE3 TRP 37 HE3 TRP 37 -2.072 2.966 -4.549 280 HZ2 TRP 37 HZ2 TRP 37 2.721 3.169 -5.922 281 HZ3 TRP 37 HZ3 TRP 37 -1.429 3.021 -6.924 282 HH2 TRP 37 HH2 TRP 37 0.918 3.122 -7.601 283 H GLN 38 H GLN 38 -2.540 1.792 1.276 284 HA GLN 38 HA GLN 38 -5.025 3.096 1.389 285 HB2 GLN 38 HB3 GLN 38 -3.813 0.766 2.765 286 HB3 GLN 38 HB2 GLN 38 -4.974 1.607 3.781 287 HG2 GLN 38 HG3 GLN 38 -6.221 -0.069 2.687 288 HG3 GLN 38 HG2 GLN 38 -6.616 1.422 1.833 289 HE21 GLN 38 HE21 GLN 38 -7.265 0.330 -0.034 290 HE22 GLN 38 HE22 GLN 38 -6.132 -0.466 -1.069 291 H GLN 39 H GLN 39 -2.203 3.370 3.499 292 HA GLN 39 HA GLN 39 -3.601 4.918 5.536 293 HB2 GLN 39 HB3 GLN 39 -0.580 4.559 5.435 294 HB3 GLN 39 HB2 GLN 39 -1.611 4.762 6.845 295 HG2 GLN 39 HG3 GLN 39 -1.309 2.300 5.122 296 HG3 GLN 39 HG2 GLN 39 -0.762 2.504 6.778 297 HE21 GLN 39 HE21 GLN 39 -2.553 0.489 5.543 298 HE22 GLN 39 HE22 GLN 39 -4.003 0.530 6.484 299 H LEU 40 H LEU 40 -0.824 5.445 3.370 300 HA LEU 40 HA LEU 40 -0.357 8.140 4.042 301 HB2 LEU 40 HB3 LEU 40 0.631 6.279 1.877 302 HB3 LEU 40 HB2 LEU 40 1.080 7.972 1.834 303 HG LEU 40 HG LEU 40 2.857 6.634 2.836 304 HD11 LEU 40 HD11 LEU 40 1.562 8.398 4.935 305 HD12 LEU 40 HD12 LEU 40 2.611 8.942 3.622 306 HD13 LEU 40 HD13 LEU 40 3.257 7.900 4.886 307 HD21 LEU 40 HD21 LEU 40 2.618 5.484 5.009 308 HD22 LEU 40 HD22 LEU 40 1.614 4.761 3.758 309 HD23 LEU 40 HD23 LEU 40 0.880 5.801 4.977 310 H LEU 41 H LEU 41 -2.048 6.689 1.218 311 HA LEU 41 HA LEU 41 -2.711 9.323 0.143 312 HB2 LEU 41 HB3 LEU 41 -3.813 6.638 -0.765 313 HB3 LEU 41 HB2 LEU 41 -3.854 8.148 -1.654 314 HG LEU 41 HG LEU 41 -1.440 6.405 -1.117 315 HD11 LEU 41 HD11 LEU 41 -2.812 7.108 -3.724 316 HD12 LEU 41 HD12 LEU 41 -2.871 5.552 -2.892 317 HD13 LEU 41 HD13 LEU 41 -1.346 6.134 -3.556 318 HD21 LEU 41 HD21 LEU 41 -0.722 8.719 -0.957 319 HD22 LEU 41 HD22 LEU 41 -1.515 9.102 -2.487 320 HD23 LEU 41 HD23 LEU 41 -0.132 8.008 -2.458 321 H SER 42 H SER 42 -3.945 7.197 2.469 322 HA SER 42 HA SER 42 -5.790 7.025 3.732 323 HB2 SER 42 HB3 SER 42 -6.454 9.821 2.696 324 HB3 SER 42 HB2 SER 42 -7.166 9.049 4.117 325 HG SER 42 HG SER 42 -4.672 8.845 4.594 326 H THR 43 H THR 43 -5.893 5.673 1.443 327 HA THR 43 HA THR 43 -8.468 6.125 0.066 328 HB THR 43 HB THR 43 -7.515 4.465 -1.599 329 HG1 THR 43 HG1 THR 43 -4.941 4.751 -0.606 330 HG21 THR 43 HG21 THR 43 -5.759 5.970 -2.538 331 HG22 THR 43 HG22 THR 43 -5.777 6.897 -1.039 332 HG23 THR 43 HG23 THR 43 -7.209 6.859 -2.066 333 H GLY 44 H GLY 44 -10.051 4.539 0.034 334 HA2 GLY 44 HA3 GLY 44 -10.007 2.373 1.943 335 HA3 GLY 44 HA2 GLY 44 -11.273 2.725 0.774 336 H ASN 45 H ASN 45 -9.865 2.664 -1.585 337 HA ASN 45 HA ASN 45 -8.936 -0.139 -1.784 338 HB2 ASN 45 HB3 ASN 45 -10.136 -0.348 -3.933 339 HB3 ASN 45 HB2 ASN 45 -11.248 -0.020 -2.612 340 HD21 ASN 45 HD21 ASN 45 -11.525 0.409 -5.533 341 HD22 ASN 45 HD22 ASN 45 -11.932 2.076 -5.720 342 H VAL 46 H VAL 46 -6.970 -0.311 -2.613 343 HA VAL 46 HA VAL 46 -6.262 1.263 -5.002 344 HB VAL 46 HB VAL 46 -3.852 1.250 -4.437 345 HG11 VAL 46 HG11 VAL 46 -5.478 2.614 -2.263 346 HG12 VAL 46 HG12 VAL 46 -5.136 3.260 -3.871 347 HG13 VAL 46 HG13 VAL 46 -3.819 3.011 -2.726 348 HG21 VAL 46 HG21 VAL 46 -4.650 0.143 -1.718 349 HG22 VAL 46 HG22 VAL 46 -3.038 0.715 -2.151 350 HG23 VAL 46 HG23 VAL 46 -3.721 -0.695 -2.960 351 H THR 47 H THR 47 -5.374 0.032 -6.609 352 HA THR 47 HA THR 47 -5.091 -2.877 -6.216 353 HB THR 47 HB THR 47 -6.242 -3.126 -8.491 354 HG1 THR 47 HG1 THR 47 -7.409 -1.413 -9.270 355 HG21 THR 47 HG21 THR 47 -7.455 -3.686 -6.406 356 HG22 THR 47 HG22 THR 47 -8.542 -2.974 -7.599 357 HG23 THR 47 HG23 THR 47 -7.967 -2.004 -6.241 358 H ARG 48 H ARG 48 -4.169 -3.788 -8.427 359 HA ARG 48 HA ARG 48 -1.504 -2.971 -8.616 360 HB2 ARG 48 HB3 ARG 48 -1.317 -4.584 -10.469 361 HB3 ARG 48 HB2 ARG 48 -2.290 -5.256 -9.166 362 HG2 ARG 48 HG3 ARG 48 -4.352 -4.685 -10.438 363 HG3 ARG 48 HG2 ARG 48 -3.351 -4.087 -11.762 364 HD2 ARG 48 HD3 ARG 48 -2.447 -6.314 -12.147 365 HD3 ARG 48 HD2 ARG 48 -3.298 -6.943 -10.727 366 HE ARG 48 HE ARG 48 -5.047 -5.719 -12.658 367 HH11 ARG 48 HH11 ARG 48 -3.425 -8.759 -11.890 368 HH12 ARG 48 HH12 ARG 48 -4.574 -9.714 -12.769 369 HH21 ARG 48 HH21 ARG 48 -6.571 -6.989 -13.717 370 HH22 ARG 48 HH22 ARG 48 -6.353 -8.714 -13.803 371 H GLU 49 H GLU 49 -4.299 -1.975 -10.449 372 HA GLU 49 HA GLU 49 -2.915 -0.781 -12.695 373 HB2 GLU 49 HB3 GLU 49 -5.182 -0.198 -13.438 374 HB3 GLU 49 HB2 GLU 49 -5.180 -1.863 -12.855 375 HG2 GLU 49 HG3 GLU 49 -6.024 -1.039 -10.651 376 HG3 GLU 49 HG2 GLU 49 -6.162 0.572 -11.336 377 H THR 50 H THR 50 -3.916 0.242 -9.551 378 HA THR 50 HA THR 50 -4.626 2.918 -9.954 379 HB THR 50 HB THR 50 -3.463 1.561 -7.494 380 HG1 THR 50 HG1 THR 50 -6.146 2.140 -8.234 381 HG21 THR 50 HG21 THR 50 -4.513 3.370 -6.177 382 HG22 THR 50 HG22 THR 50 -4.975 4.191 -7.671 383 HG23 THR 50 HG23 THR 50 -3.271 4.013 -7.256 384 H ASP 51 H ASP 51 -3.463 4.630 -10.441 385 HA ASP 51 HA ASP 51 -0.534 4.614 -10.440 386 HB2 ASP 51 HB3 ASP 51 -2.397 6.835 -11.378 387 HB3 ASP 51 HB2 ASP 51 -0.696 6.632 -11.774 388 H PHE 52 H PHE 52 0.564 5.483 -8.777 389 HA PHE 52 HA PHE 52 -0.440 6.228 -6.356 390 HB2 PHE 52 HB3 PHE 52 1.945 5.656 -6.790 391 HB3 PHE 52 HB2 PHE 52 2.177 7.198 -7.595 392 HD1 PHE 52 HD1 PHE 52 1.484 5.601 -4.322 393 HD2 PHE 52 HD2 PHE 52 2.656 9.194 -6.315 394 HE1 PHE 52 HE1 PHE 52 2.111 6.592 -2.167 395 HE2 PHE 52 HE2 PHE 52 3.270 10.184 -4.150 396 HZ PHE 52 HZ PHE 52 3.002 8.883 -2.084 397 H PHE 53 H PHE 53 0.749 8.491 -8.827 398 HA PHE 53 HA PHE 53 0.137 10.827 -7.362 399 HB2 PHE 53 HB3 PHE 53 0.803 10.492 -10.309 400 HB3 PHE 53 HB2 PHE 53 0.749 12.037 -9.463 401 HD1 PHE 53 HD1 PHE 53 2.377 12.434 -7.524 402 HD2 PHE 53 HD2 PHE 53 2.790 9.131 -10.219 403 HE1 PHE 53 HE1 PHE 53 4.724 12.153 -6.838 404 HE2 PHE 53 HE2 PHE 53 5.132 8.871 -9.521 405 HZ PHE 53 HZ PHE 53 6.102 10.372 -7.834 406 H GLN 54 H GLN 54 -1.574 9.080 -9.895 407 HA GLN 54 HA GLN 54 -3.572 11.037 -10.443 408 HB2 GLN 54 HB3 GLN 54 -2.964 9.210 -12.012 409 HB3 GLN 54 HB2 GLN 54 -3.619 8.022 -10.891 410 HG2 GLN 54 HG3 GLN 54 -5.195 8.386 -12.695 411 HG3 GLN 54 HG2 GLN 54 -5.885 9.017 -11.204 412 HE21 GLN 54 HE21 GLN 54 -4.474 9.866 -14.290 413 HE22 GLN 54 HE22 GLN 54 -5.045 11.500 -14.324 414 H GLN 55 H GLN 55 -3.248 8.505 -8.051 415 HA GLN 55 HA GLN 55 -6.021 8.363 -7.261 416 HB2 GLN 55 HB3 GLN 55 -4.305 6.489 -7.067 417 HB3 GLN 55 HB2 GLN 55 -3.548 7.372 -5.748 418 HG2 GLN 55 HG3 GLN 55 -4.972 5.620 -4.848 419 HG3 GLN 55 HG2 GLN 55 -5.656 7.195 -4.448 420 HE21 GLN 55 HE21 GLN 55 -7.736 6.359 -4.150 421 HE22 GLN 55 HE22 GLN 55 -8.707 5.788 -5.458 422 H GLY 56 H GLY 56 -3.513 10.577 -6.622 423 HA2 GLY 56 HA3 GLY 56 -4.097 12.639 -5.451 424 HA3 GLY 56 HA2 GLY 56 -4.900 11.668 -4.224 425 H GLY 57 H GLY 57 -1.882 10.524 -5.526 426 HA2 GLY 57 HA3 GLY 57 -0.426 11.187 -3.062 427 HA3 GLY 57 HA2 GLY 57 0.111 10.135 -4.368 428 H ASP 58 H ASP 58 0.897 12.900 -2.969 429 HA ASP 58 HA ASP 58 1.434 14.566 -5.303 430 HB2 ASP 58 HB3 ASP 58 2.343 14.899 -2.402 431 HB3 ASP 58 HB2 ASP 58 2.408 16.134 -3.661 432 H SER 59 H SER 59 3.694 15.356 -5.614 433 HA SER 59 HA SER 59 5.710 13.369 -5.804 434 HB2 SER 59 HB3 SER 59 7.223 15.358 -6.258 435 HB3 SER 59 HB2 SER 59 5.769 15.324 -7.252 436 HG SER 59 HG SER 59 6.599 17.247 -5.597 437 H LEU 60 H LEU 60 4.909 15.777 -3.376 438 HA LEU 60 HA LEU 60 7.133 15.351 -1.638 439 HB2 LEU 60 HB3 LEU 60 5.655 17.435 -1.839 440 HB3 LEU 60 HB2 LEU 60 4.415 16.573 -0.958 441 HG LEU 60 HG LEU 60 5.818 18.251 0.375 442 HD11 LEU 60 HD11 LEU 60 4.463 16.580 1.533 443 HD12 LEU 60 HD12 LEU 60 5.943 16.938 2.414 444 HD13 LEU 60 HD13 LEU 60 5.806 15.437 1.492 445 HD21 LEU 60 HD21 LEU 60 8.011 17.727 -0.601 446 HD22 LEU 60 HD22 LEU 60 7.984 16.132 0.156 447 HD23 LEU 60 HD23 LEU 60 8.040 17.586 1.156 448 H LEU 61 H LEU 61 3.816 14.055 -1.821 449 HA LEU 61 HA LEU 61 3.871 12.502 0.563 450 HB2 LEU 61 HB3 LEU 61 1.869 13.227 -1.007 451 HB3 LEU 61 HB2 LEU 61 2.220 11.752 -1.878 452 HG LEU 61 HG LEU 61 1.485 11.837 1.083 453 HD11 LEU 61 HD11 LEU 61 -0.386 12.700 -0.224 454 HD12 LEU 61 HD12 LEU 61 -0.773 11.114 0.439 455 HD13 LEU 61 HD13 LEU 61 -0.350 11.276 -1.269 456 HD21 LEU 61 HD21 LEU 61 1.009 9.438 0.842 457 HD22 LEU 61 HD22 LEU 61 2.692 9.801 0.476 458 HD23 LEU 61 HD23 LEU 61 1.557 9.493 -0.837 459 H ALA 62 H ALA 62 4.825 11.917 -2.793 460 HA ALA 62 HA ALA 62 5.565 9.208 -2.670 461 HB1 ALA 62 HB1 ALA 62 5.313 10.466 -4.768 462 HB2 ALA 62 HB2 ALA 62 6.905 9.713 -4.677 463 HB3 ALA 62 HB3 ALA 62 6.728 11.443 -4.372 464 H THR 63 H THR 63 7.358 12.178 -1.973 465 HA THR 63 HA THR 63 9.921 11.156 -1.472 466 HB THR 63 HB THR 63 8.574 13.624 -0.272 467 HG1 THR 63 HG1 THR 63 9.005 13.096 -2.766 468 HG21 THR 63 HG21 THR 63 10.843 14.580 -0.122 469 HG22 THR 63 HG22 THR 63 11.531 13.058 -0.694 470 HG23 THR 63 HG23 THR 63 10.715 13.123 0.868 471 H ARG 64 H ARG 64 7.055 11.295 0.553 472 HA ARG 64 HA ARG 64 8.414 10.452 2.977 473 HB2 ARG 64 HB3 ARG 64 5.435 10.792 2.368 474 HB3 ARG 64 HB2 ARG 64 6.110 10.426 3.956 475 HG2 ARG 64 HG3 ARG 64 7.392 12.587 3.855 476 HG3 ARG 64 HG2 ARG 64 6.560 12.962 2.345 477 HD2 ARG 64 HD3 ARG 64 4.408 12.981 3.492 478 HD3 ARG 64 HD2 ARG 64 5.167 12.471 5.003 479 HE ARG 64 HE ARG 64 5.195 15.130 3.811 480 HH11 ARG 64 HH11 ARG 64 6.542 13.049 6.314 481 HH12 ARG 64 HH12 ARG 64 7.120 14.382 7.262 482 HH21 ARG 64 HH21 ARG 64 6.011 16.848 5.056 483 HH22 ARG 64 HH22 ARG 64 6.822 16.517 6.555 484 H LEU 65 H LEU 65 6.391 9.022 0.452 485 HA LEU 65 HA LEU 65 5.677 6.592 1.671 486 HB2 LEU 65 HB3 LEU 65 4.673 7.684 -0.410 487 HB3 LEU 65 HB2 LEU 65 6.039 7.092 -1.325 488 HG LEU 65 HG LEU 65 3.831 5.787 -1.528 489 HD11 LEU 65 HD11 LEU 65 4.837 3.581 -1.683 490 HD12 LEU 65 HD12 LEU 65 6.231 4.123 -0.744 491 HD13 LEU 65 HD13 LEU 65 5.920 4.812 -2.336 492 HD21 LEU 65 HD21 LEU 65 3.252 4.156 0.198 493 HD22 LEU 65 HD22 LEU 65 3.187 5.794 0.842 494 HD23 LEU 65 HD23 LEU 65 4.557 4.751 1.231 495 H THR 66 H THR 66 8.606 7.566 -0.020 496 HA THR 66 HA THR 66 9.857 5.128 -0.501 497 HB THR 66 HB THR 66 12.018 6.334 -0.347 498 HG1 THR 66 HG1 THR 66 11.130 8.834 0.172 499 HG21 THR 66 HG21 THR 66 10.695 6.660 -2.416 500 HG22 THR 66 HG22 THR 66 11.623 8.109 -2.023 501 HG23 THR 66 HG23 THR 66 9.892 8.054 -1.691 502 H GLY 67 H GLY 67 9.867 7.132 2.410 503 HA2 GLY 67 HA3 GLY 67 11.552 5.669 4.089 504 HA3 GLY 67 HA2 GLY 67 10.287 6.763 4.630 505 H GLN 68 H GLN 68 8.064 5.277 3.520 506 HA GLN 68 HA GLN 68 7.585 3.349 5.555 507 HB2 GLN 68 HB3 GLN 68 6.093 4.243 3.104 508 HB3 GLN 68 HB2 GLN 68 5.623 2.712 3.821 509 HG2 GLN 68 HG3 GLN 68 4.188 4.382 4.709 510 HG3 GLN 68 HG2 GLN 68 5.281 3.889 5.999 511 HE21 GLN 68 HE21 GLN 68 5.123 5.754 7.184 512 HE22 GLN 68 HE22 GLN 68 5.690 7.285 6.634 513 H LEU 69 H LEU 69 8.980 3.097 2.390 514 HA LEU 69 HA LEU 69 8.941 0.187 2.365 515 HB2 LEU 69 HB3 LEU 69 10.203 2.241 0.526 516 HB3 LEU 69 HB2 LEU 69 10.367 0.507 0.282 517 HG LEU 69 HG LEU 69 7.680 1.934 0.373 518 HD11 LEU 69 HD11 LEU 69 8.940 2.764 -1.523 519 HD12 LEU 69 HD12 LEU 69 7.619 1.730 -2.057 520 HD13 LEU 69 HD13 LEU 69 9.276 1.115 -2.060 521 HD21 LEU 69 HD21 LEU 69 6.816 -0.142 -0.636 522 HD22 LEU 69 HD22 LEU 69 7.530 -0.430 0.948 523 HD23 LEU 69 HD23 LEU 69 8.417 -0.875 -0.513 524 H HIS 70 H HIS 70 11.152 2.788 3.277 525 HA HIS 70 HA HIS 70 13.566 1.314 3.366 526 HB2 HIS 70 HB3 HIS 70 12.763 3.748 5.020 527 HB3 HIS 70 HB2 HIS 70 14.398 3.103 4.932 528 HD1 HIS 70 HD1 HIS 70 14.216 5.911 4.164 529 HD2 HIS 70 HD2 HIS 70 13.450 2.910 1.390 530 HE1 HIS 70 HE1 HIS 70 14.537 6.977 1.915 531 HE2 HIS 70 HE2 HIS 70 14.266 5.093 0.274 532 H GLN 71 H GLN 71 11.091 1.899 5.828 533 HA GLN 71 HA GLN 71 12.263 0.299 7.897 534 HB2 GLN 71 HB3 GLN 71 10.029 0.501 8.994 535 HB3 GLN 71 HB2 GLN 71 10.650 2.053 8.440 536 HG2 GLN 71 HG3 GLN 71 9.190 1.970 6.477 537 HG3 GLN 71 HG2 GLN 71 8.592 0.393 6.966 538 HE21 GLN 71 HE21 GLN 71 8.523 3.810 7.621 539 HE22 GLN 71 HE22 GLN 71 7.130 3.784 8.638 540 H ALA 72 H ALA 72 10.281 -0.457 5.102 541 HA ALA 72 HA ALA 72 9.570 -3.157 5.954 542 HB1 ALA 72 HB1 ALA 72 8.036 -1.855 4.518 543 HB2 ALA 72 HB2 ALA 72 8.536 -3.347 3.723 544 HB3 ALA 72 HB3 ALA 72 9.253 -1.805 3.240 545 H GLY 73 H GLY 73 12.395 -1.755 4.815 546 HA2 GLY 73 HA3 GLY 73 14.436 -2.739 4.323 547 HA3 GLY 73 HA2 GLY 73 13.657 -4.312 4.342 548 H TYR 74 H TYR 74 12.432 -1.755 2.340 549 HA TYR 74 HA TYR 74 13.703 -2.842 -0.108 550 HB2 TYR 74 HB3 TYR 74 10.952 -1.515 0.066 551 HB3 TYR 74 HB2 TYR 74 11.676 -2.262 -1.359 552 HD1 TYR 74 HD1 TYR 74 12.507 -4.853 -0.781 553 HD2 TYR 74 HD2 TYR 74 9.232 -2.783 1.031 554 HE1 TYR 74 HE1 TYR 74 11.493 -7.001 -0.155 555 HE2 TYR 74 HE2 TYR 74 8.223 -4.936 1.653 556 HH TYR 74 HH TYR 74 9.917 -7.874 1.524 557 H GLU 75 H GLU 75 14.830 -1.411 -1.306 558 HA GLU 75 HA GLU 75 15.052 1.334 -0.408 559 HB2 GLU 75 HB3 GLU 75 16.731 1.556 -2.272 560 HB3 GLU 75 HB2 GLU 75 17.098 0.302 -1.102 561 HG2 GLU 75 HG3 GLU 75 17.690 -0.599 -3.190 562 HG3 GLU 75 HG2 GLU 75 16.172 -1.382 -2.767 563 H ALA 76 H ALA 76 14.598 3.188 -1.817 564 HA ALA 76 HA ALA 76 12.470 2.892 -3.790 565 HB1 ALA 76 HB1 ALA 76 11.886 4.087 -1.070 566 HB2 ALA 76 HB2 ALA 76 11.304 2.532 -1.665 567 HB3 ALA 76 HB3 ALA 76 10.770 4.024 -2.441 568 H GLN 77 H GLN 77 12.856 4.411 -5.266 569 HA GLN 77 HA GLN 77 13.731 7.128 -4.429 570 HB2 GLN 77 HB3 GLN 77 14.171 5.697 -7.097 571 HB3 GLN 77 HB2 GLN 77 14.578 7.381 -6.793 572 HG2 GLN 77 HG3 GLN 77 15.808 5.012 -5.365 573 HG3 GLN 77 HG2 GLN 77 16.544 5.894 -6.696 574 HE21 GLN 77 HE21 GLN 77 15.751 5.969 -3.311 575 HE22 GLN 77 HE22 GLN 77 16.690 7.366 -2.919 576 H LEU 78 H LEU 78 12.907 8.900 -5.713 577 HA LEU 78 HA LEU 78 10.116 8.866 -6.204 578 HB2 LEU 78 HB3 LEU 78 12.200 10.916 -7.081 579 HB3 LEU 78 HB2 LEU 78 10.458 11.164 -7.120 580 HG LEU 78 HG LEU 78 12.133 10.749 -4.620 581 HD11 LEU 78 HD11 LEU 78 12.472 12.955 -5.592 582 HD12 LEU 78 HD12 LEU 78 11.576 13.069 -4.080 583 HD13 LEU 78 HD13 LEU 78 10.728 13.236 -5.619 584 HD21 LEU 78 HD21 LEU 78 10.073 11.230 -3.366 585 HD22 LEU 78 HD22 LEU 78 9.951 9.743 -4.296 586 HD23 LEU 78 HD23 LEU 78 9.148 11.210 -4.868 587 H SER 79 H SER 79 12.929 8.447 -8.254 588 HA SER 79 HA SER 79 11.856 8.696 -10.809 589 HB2 SER 79 HB3 SER 79 14.050 6.776 -9.894 590 HB3 SER 79 HB2 SER 79 13.779 7.326 -11.549 591 HG SER 79 HG SER 79 15.429 8.498 -10.476 592 H ASP 80 H ASP 80 11.753 5.981 -8.552 593 HA ASP 80 HA ASP 80 10.807 3.996 -10.364 594 HB2 ASP 80 HB3 ASP 80 10.675 4.135 -7.321 595 HB3 ASP 80 HB2 ASP 80 10.205 2.719 -8.260 596 H LEU 81 H LEU 81 9.128 6.109 -8.018 597 HA LEU 81 HA LEU 81 6.486 5.201 -8.639 598 HB2 LEU 81 HB3 LEU 81 7.644 7.567 -7.144 599 HB3 LEU 81 HB2 LEU 81 5.938 7.602 -7.558 600 HG LEU 81 HG LEU 81 7.215 5.355 -5.953 601 HD11 LEU 81 HD11 LEU 81 5.636 7.721 -4.912 602 HD12 LEU 81 HD12 LEU 81 7.366 7.448 -4.693 603 HD13 LEU 81 HD13 LEU 81 6.205 6.344 -3.961 604 HD21 LEU 81 HD21 LEU 81 4.890 4.759 -5.405 605 HD22 LEU 81 HD22 LEU 81 5.180 4.690 -7.141 606 HD23 LEU 81 HD23 LEU 81 4.305 6.058 -6.447 607 H PHE 82 H PHE 82 8.570 7.667 -9.979 608 HA PHE 82 HA PHE 82 6.529 9.200 -11.305 609 HB2 PHE 82 HB3 PHE 82 8.866 9.969 -10.429 610 HB3 PHE 82 HB2 PHE 82 9.520 9.295 -11.915 611 HD1 PHE 82 HD1 PHE 82 7.280 11.888 -10.496 612 HD2 PHE 82 HD2 PHE 82 9.276 10.500 -14.022 613 HE1 PHE 82 HE1 PHE 82 6.784 14.011 -11.616 614 HE2 PHE 82 HE2 PHE 82 8.772 12.635 -15.134 615 HZ PHE 82 HZ PHE 82 7.529 14.395 -13.938 616 H ASN 83 H ASN 83 8.845 6.716 -12.236 617 HA ASN 83 HA ASN 83 8.136 6.772 -15.066 618 HB2 ASN 83 HB3 ASN 83 10.505 6.450 -14.295 619 HB3 ASN 83 HB2 ASN 83 10.040 4.925 -13.553 620 HD21 ASN 83 HD21 ASN 83 10.662 6.585 -16.545 621 HD22 ASN 83 HD22 ASN 83 10.702 5.180 -17.550 622 H HIS 84 H HIS 84 7.478 4.873 -12.176 623 HA HIS 84 HA HIS 84 5.772 3.001 -13.739 624 HB2 HIS 84 HB3 HIS 84 7.159 2.355 -11.099 625 HB3 HIS 84 HB2 HIS 84 6.275 1.248 -12.134 626 HD1 HIS 84 HD1 HIS 84 7.586 0.098 -14.000 627 HD2 HIS 84 HD2 HIS 84 9.758 3.068 -12.061 628 HE1 HIS 84 HE1 HIS 84 9.934 -0.106 -14.847 629 HE2 HIS 84 HE2 HIS 84 11.250 1.613 -13.578 630 HA PRO 85 HA PRO 85 3.118 5.548 -10.938 631 HB2 PRO 85 HB3 PRO 85 1.014 5.234 -13.002 632 HB3 PRO 85 HB2 PRO 85 1.804 6.715 -12.425 633 HG2 PRO 85 HG3 PRO 85 2.231 5.730 -14.911 634 HG3 PRO 85 HG2 PRO 85 3.492 6.606 -14.011 635 HD2 PRO 85 HD3 PRO 85 3.139 3.623 -14.344 636 HD3 PRO 85 HD2 PRO 85 4.619 4.608 -14.472 637 H ARG 86 H ARG 86 1.889 2.718 -12.803 638 HA ARG 86 HA ARG 86 -0.150 1.861 -11.120 639 HB2 ARG 86 HB3 ARG 86 1.643 0.411 -13.059 640 HB3 ARG 86 HB2 ARG 86 0.631 -0.550 -11.990 641 HG2 ARG 86 HG3 ARG 86 -0.457 -0.286 -14.121 642 HG3 ARG 86 HG2 ARG 86 -1.372 0.562 -12.876 643 HD2 ARG 86 HD3 ARG 86 -1.328 1.913 -14.871 644 HD3 ARG 86 HD2 ARG 86 -0.315 2.699 -13.652 645 HE ARG 86 HE ARG 86 1.248 0.978 -15.270 646 HH11 ARG 86 HH11 ARG 86 -0.369 4.100 -15.402 647 HH12 ARG 86 HH12 ARG 86 0.703 4.721 -16.626 648 HH21 ARG 86 HH21 ARG 86 2.617 1.796 -16.868 649 HH22 ARG 86 HH22 ARG 86 2.392 3.414 -17.453 650 H LEU 87 H LEU 87 -0.295 0.519 -9.392 651 HA LEU 87 HA LEU 87 1.680 0.523 -7.418 652 HB2 LEU 87 HB3 LEU 87 -0.844 0.283 -7.202 653 HB3 LEU 87 HB2 LEU 87 -0.671 -1.403 -7.637 654 HG LEU 87 HG LEU 87 0.708 -0.238 -5.172 655 HD11 LEU 87 HD11 LEU 87 -1.679 0.247 -4.969 656 HD12 LEU 87 HD12 LEU 87 -1.203 -1.007 -3.832 657 HD13 LEU 87 HD13 LEU 87 -2.081 -1.441 -5.300 658 HD21 LEU 87 HD21 LEU 87 0.658 -2.570 -4.350 659 HD22 LEU 87 HD22 LEU 87 1.536 -2.445 -5.871 660 HD23 LEU 87 HD23 LEU 87 -0.106 -3.089 -5.858 661 H ALA 88 H ALA 88 0.712 -2.016 -9.728 662 HA ALA 88 HA ALA 88 2.500 -4.007 -8.716 663 HB1 ALA 88 HB1 ALA 88 0.467 -4.631 -9.896 664 HB2 ALA 88 HB2 ALA 88 1.881 -5.293 -10.718 665 HB3 ALA 88 HB3 ALA 88 1.056 -3.875 -11.376 666 H ASP 89 H ASP 89 2.697 -1.599 -11.347 667 HA ASP 89 HA ASP 89 5.163 -2.466 -12.451 668 HB2 ASP 89 HB3 ASP 89 3.709 0.198 -12.487 669 HB3 ASP 89 HB2 ASP 89 5.325 0.076 -13.174 670 H PHE 90 H PHE 90 4.388 -0.201 -9.851 671 HA PHE 90 HA PHE 90 7.038 0.650 -9.285 672 HB2 PHE 90 HB3 PHE 90 5.079 1.974 -8.598 673 HB3 PHE 90 HB2 PHE 90 4.522 0.669 -7.553 674 HD1 PHE 90 HD1 PHE 90 4.773 1.232 -5.307 675 HD2 PHE 90 HD2 PHE 90 7.817 2.439 -8.060 676 HE1 PHE 90 HE1 PHE 90 6.067 2.197 -3.459 677 HE2 PHE 90 HE2 PHE 90 9.103 3.404 -6.200 678 HZ PHE 90 HZ PHE 90 8.232 3.286 -3.905 679 H ALA 91 H ALA 91 4.958 -1.922 -7.990 680 HA ALA 91 HA ALA 91 6.726 -2.863 -5.974 681 HB1 ALA 91 HB1 ALA 91 4.321 -3.376 -5.974 682 HB2 ALA 91 HB2 ALA 91 5.280 -4.858 -5.931 683 HB3 ALA 91 HB3 ALA 91 4.510 -4.346 -7.437 684 H ALA 92 H ALA 92 6.465 -3.465 -9.419 685 HA ALA 92 HA ALA 92 8.118 -5.827 -9.499 686 HB1 ALA 92 HB1 ALA 92 6.329 -5.471 -11.138 687 HB2 ALA 92 HB2 ALA 92 7.891 -5.642 -11.943 688 HB3 ALA 92 HB3 ALA 92 7.159 -4.043 -11.757 689 H THR 93 H THR 93 8.827 -2.471 -9.331 690 HA THR 93 HA THR 93 11.533 -2.856 -10.480 691 HB THR 93 HB THR 93 10.216 -0.993 -11.481 692 HG1 THR 93 HG1 THR 93 12.346 0.156 -9.983 693 HG21 THR 93 HG21 THR 93 9.807 1.076 -10.202 694 HG22 THR 93 HG22 THR 93 10.359 0.276 -8.730 695 HG23 THR 93 HG23 THR 93 8.896 -0.284 -9.540 696 H LEU 94 H LEU 94 10.016 -2.927 -7.491 697 HA LEU 94 HA LEU 94 12.016 -1.496 -5.953 698 HB2 LEU 94 HB3 LEU 94 9.689 -3.262 -5.117 699 HB3 LEU 94 HB2 LEU 94 10.811 -2.565 -3.954 700 HG LEU 94 HG LEU 94 8.958 -1.025 -5.800 701 HD11 LEU 94 HD11 LEU 94 7.830 -0.327 -3.761 702 HD12 LEU 94 HD12 LEU 94 8.922 -1.316 -2.787 703 HD13 LEU 94 HD13 LEU 94 7.806 -2.082 -3.925 704 HD21 LEU 94 HD21 LEU 94 11.047 0.207 -5.549 705 HD22 LEU 94 HD22 LEU 94 10.951 0.069 -3.791 706 HD23 LEU 94 HD23 LEU 94 9.744 1.009 -4.674 707 H ARG 95 H ARG 95 13.799 -2.253 -5.114 708 HA ARG 95 HA ARG 95 14.371 -5.164 -4.935 709 HB2 ARG 95 HB3 ARG 95 16.277 -2.759 -4.957 710 HB3 ARG 95 HB2 ARG 95 16.783 -4.409 -4.625 711 HG2 ARG 95 HG3 ARG 95 17.377 -3.949 -6.879 712 HG3 ARG 95 HG2 ARG 95 15.996 -5.043 -6.928 713 HD2 ARG 95 HD3 ARG 95 14.501 -3.139 -7.444 714 HD3 ARG 95 HD2 ARG 95 15.877 -2.031 -7.348 715 HE ARG 95 HE ARG 95 16.206 -4.179 -9.248 716 HH11 ARG 95 HH11 ARG 95 14.927 -0.932 -8.845 717 HH12 ARG 95 HH12 ARG 95 15.034 -0.553 -10.536 718 HH21 ARG 95 HH21 ARG 95 16.388 -3.664 -11.448 719 HH22 ARG 95 HH22 ARG 95 15.862 -2.105 -12.006 720 H LYS 96 H LYS 96 15.696 -5.740 -2.975 721 HA LYS 96 HA LYS 96 14.656 -4.586 -0.526 722 HB2 LYS 96 HB3 LYS 96 16.725 -6.778 -0.991 723 HB3 LYS 96 HB2 LYS 96 16.042 -6.347 0.576 724 HG2 LYS 96 HG3 LYS 96 13.809 -7.050 -0.168 725 HG3 LYS 96 HG2 LYS 96 14.445 -7.425 -1.775 726 HD2 LYS 96 HD3 LYS 96 15.913 -9.170 -0.783 727 HD3 LYS 96 HD2 LYS 96 15.276 -8.793 0.821 728 HE2 LYS 96 HE3 LYS 96 13.039 -9.522 0.124 729 HE3 LYS 96 HE2 LYS 96 13.633 -9.841 -1.508 730 HZ1 LYS 96 HZ1 LYS 96 15.083 -11.553 -0.624 731 HZ2 LYS 96 HZ2 LYS 96 13.485 -11.856 -0.166 732 HZ3 LYS 96 HZ3 LYS 96 14.576 -11.219 0.954 733 H THR 97 H THR 97 16.211 -3.992 1.235 734 HA THR 97 HA THR 97 18.081 -1.977 0.259 735 HB THR 97 HB THR 97 17.325 -2.631 3.153 736 HG1 THR 97 HG1 THR 97 15.798 -1.689 1.183 737 HG21 THR 97 HG21 THR 97 18.354 -0.039 1.904 738 HG22 THR 97 HG22 THR 97 19.321 -1.134 2.895 739 HG23 THR 97 HG23 THR 97 17.947 -0.286 3.603 740 H ASP 98 H ASP 98 20.297 -2.047 0.535 741 HA ASP 98 HA ASP 98 21.769 -4.339 1.263 742 HB2 ASP 98 HB3 ASP 98 22.783 -2.570 -0.082 743 HB3 ASP 98 HB2 ASP 98 22.517 -1.382 1.189 744 H VAL 99 H VAL 99 21.979 -5.220 3.257 745 HA VAL 99 HA VAL 99 20.593 -4.162 5.477 746 HB VAL 99 HB VAL 99 21.495 -6.112 6.771 747 HG11 VAL 99 HG11 VAL 99 20.379 -6.819 4.025 748 HG12 VAL 99 HG12 VAL 99 19.438 -6.392 5.457 749 HG13 VAL 99 HG13 VAL 99 20.386 -7.878 5.439 750 HG21 VAL 99 HG21 VAL 99 23.023 -6.768 4.221 751 HG22 VAL 99 HG22 VAL 99 22.882 -7.808 5.638 752 HG23 VAL 99 HG23 VAL 99 23.735 -6.271 5.756 753 HA PRO 100 HA PRO 100 24.043 -1.902 7.448 754 HB2 PRO 100 HB3 PRO 100 22.595 -0.628 9.362 755 HB3 PRO 100 HB2 PRO 100 22.545 -0.120 7.660 756 HG2 PRO 100 HG3 PRO 100 20.557 -1.781 9.176 757 HG3 PRO 100 HG2 PRO 100 20.269 -0.456 8.026 758 HD2 PRO 100 HD3 PRO 100 20.111 -3.125 7.341 759 HD3 PRO 100 HD2 PRO 100 20.494 -1.833 6.180 760 H VAL 101 H VAL 101 21.856 -4.263 8.729 761 HA VAL 101 HA VAL 101 23.379 -4.741 11.187 762 HB VAL 101 HB VAL 101 20.859 -4.917 11.122 763 HG11 VAL 101 HG11 VAL 101 19.762 -6.896 10.163 764 HG12 VAL 101 HG12 VAL 101 21.298 -7.429 9.476 765 HG13 VAL 101 HG13 VAL 101 20.552 -5.929 8.915 766 HG21 VAL 101 HG21 VAL 101 22.098 -6.000 12.938 767 HG22 VAL 101 HG22 VAL 101 22.276 -7.468 11.973 768 HG23 VAL 101 HG23 VAL 101 20.675 -6.951 12.511 769 H GLU 102 H GLU 102 24.203 -6.999 11.593 770 HA GLU 102 HA GLU 102 25.793 -7.986 9.423 771 HB2 GLU 102 HB3 GLU 102 25.347 -9.237 12.168 772 HB3 GLU 102 HB2 GLU 102 26.580 -9.720 11.009 773 HG2 GLU 102 HG3 GLU 102 27.735 -8.420 12.598 774 HG3 GLU 102 HG2 GLU 102 27.518 -7.348 11.219 775 H GLN 103 H GLN 103 24.115 -8.479 7.906 776 HA GLN 103 HA GLN 103 23.459 -11.309 7.964 777 HB2 GLN 103 HB3 GLN 103 21.440 -10.076 8.972 778 HB3 GLN 103 HB2 GLN 103 21.243 -9.272 7.427 779 HG2 GLN 103 HG3 GLN 103 19.644 -11.042 7.525 780 HG3 GLN 103 HG2 GLN 103 20.879 -11.526 6.367 781 HE21 GLN 103 HE21 GLN 103 18.977 -13.187 7.797 782 HE22 GLN 103 HE22 GLN 103 19.905 -14.329 8.708 783 HA PRO 104 HA PRO 104 24.459 -9.112 3.851 784 HB2 PRO 104 HB3 PRO 104 27.302 -9.548 3.826 785 HB3 PRO 104 HB2 PRO 104 26.461 -8.034 4.210 786 HG2 PRO 104 HG3 PRO 104 27.970 -9.535 6.029 787 HG3 PRO 104 HG2 PRO 104 26.789 -8.280 6.461 788 HD2 PRO 104 HD3 PRO 104 26.421 -11.273 6.371 789 HD3 PRO 104 HD2 PRO 104 25.824 -10.096 7.565 790 H PHE 105 H PHE 105 23.254 -11.074 3.213 791 HA PHE 105 HA PHE 105 24.810 -13.342 2.277 792 HB2 PHE 105 HB3 PHE 105 21.868 -12.631 2.167 793 HB3 PHE 105 HB2 PHE 105 22.504 -13.941 1.176 794 HD1 PHE 105 HD1 PHE 105 23.206 -16.040 2.161 795 HD2 PHE 105 HD2 PHE 105 21.902 -12.836 4.683 796 HE1 PHE 105 HE1 PHE 105 23.095 -17.586 4.069 797 HE2 PHE 105 HE2 PHE 105 21.797 -14.401 6.583 798 HZ PHE 105 HZ PHE 105 22.398 -16.766 6.282 799 H VAL 106 H VAL 106 26.166 -11.655 1.254 800 HA VAL 106 HA VAL 106 25.524 -11.448 -1.620 801 HB VAL 106 HB VAL 106 27.040 -9.473 -1.762 802 HG11 VAL 106 HG11 VAL 106 24.767 -9.052 0.217 803 HG12 VAL 106 HG12 VAL 106 24.635 -9.058 -1.543 804 HG13 VAL 106 HG13 VAL 106 25.552 -7.787 -0.735 805 HG21 VAL 106 HG21 VAL 106 27.788 -8.260 0.265 806 HG22 VAL 106 HG22 VAL 106 28.478 -9.881 0.192 807 HG23 VAL 106 HG23 VAL 106 27.132 -9.548 1.282 808 H HIS 107 H HIS 107 27.036 -12.339 -2.917 809 HA HIS 107 HA HIS 107 29.768 -12.760 -2.240 810 HB2 HIS 107 HB3 HIS 107 28.701 -14.639 -0.916 811 HB3 HIS 107 HB2 HIS 107 28.052 -15.298 -2.416 812 HD1 HIS 107 HD1 HIS 107 29.572 -16.809 -3.742 813 HD2 HIS 107 HD2 HIS 107 31.611 -14.782 -0.742 814 HE1 HIS 107 HE1 HIS 107 31.873 -17.804 -3.700 815 HE2 HIS 107 HE2 HIS 107 33.043 -16.636 -1.809 816 H SER 108 H SER 108 30.173 -11.752 -4.156 817 HA SER 108 HA SER 108 29.308 -13.102 -6.653 818 HB2 SER 108 HB3 SER 108 28.126 -10.923 -6.313 819 HB3 SER 108 HB2 SER 108 29.687 -10.101 -6.254 820 HG SER 108 HG SER 108 28.378 -10.327 -8.359 821 HA PRO 109 HA PRO 109 33.933 -12.962 -6.974 822 HB2 PRO 109 HB3 PRO 109 34.418 -15.615 -7.280 823 HB3 PRO 109 HB2 PRO 109 34.165 -14.918 -5.667 824 HG2 PRO 109 HG3 PRO 109 32.263 -16.500 -7.345 825 HG3 PRO 109 HG2 PRO 109 32.514 -16.539 -5.586 826 HD2 PRO 109 HD3 PRO 109 30.461 -15.129 -6.872 827 HD3 PRO 109 HD2 PRO 109 31.035 -14.824 -5.220 828 H GLU 110 H GLU 110 33.006 -11.831 -8.878 829 HA GLU 110 HA GLU 110 31.970 -13.094 -11.166 830 HB2 GLU 110 HB3 GLU 110 33.508 -10.459 -11.104 831 HB3 GLU 110 HB2 GLU 110 32.364 -10.987 -12.336 832 HG2 GLU 110 HG3 GLU 110 30.587 -11.025 -10.499 833 HG3 GLU 110 HG2 GLU 110 31.763 -10.213 -9.473 834 H ASP 111 H ASP 111 35.276 -12.355 -10.229 835 HA ASP 111 HA ASP 111 36.372 -13.857 -12.512 836 HB2 ASP 111 HB3 ASP 111 37.461 -11.680 -11.994 837 HB3 ASP 111 HB2 ASP 111 37.815 -12.232 -10.360 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -18.713 19.847 -15.746 2 H2 GLY 1 H2 GLY 1 -18.785 21.533 -15.648 3 H3 GLY 1 H3 GLY 1 -19.299 20.587 -14.346 4 HA2 GLY 1 HA2 GLY 1 -17.147 21.533 -13.888 5 HA3 GLY 1 HA3 GLY 1 -17.073 19.778 -13.988 6 H THR 2 H THR 2 -15.038 22.000 -14.507 7 HA THR 2 HA THR 2 -14.344 22.097 -17.238 8 HB THR 2 HB THR 2 -12.533 22.333 -14.787 9 HG1 THR 2 HG1 THR 2 -13.166 24.393 -14.677 10 HG21 THR 2 HG21 THR 2 -11.197 22.092 -16.856 11 HG22 THR 2 HG22 THR 2 -11.070 23.730 -16.215 12 HG23 THR 2 HG23 THR 2 -12.104 23.409 -17.607 13 H ILE 3 H ILE 3 -13.184 19.987 -14.601 14 HA ILE 3 HA ILE 3 -12.206 17.997 -16.567 15 HB ILE 3 HB ILE 3 -11.774 18.039 -13.526 16 HG12 ILE 3 HG13 ILE 3 -9.276 18.343 -14.239 17 HG13 ILE 3 HG12 ILE 3 -9.901 18.839 -15.805 18 HG21 ILE 3 HG21 ILE 3 -10.215 16.139 -13.897 19 HG22 ILE 3 HG22 ILE 3 -10.643 16.119 -15.608 20 HG23 ILE 3 HG23 ILE 3 -11.861 15.737 -14.391 21 HD11 ILE 3 HD11 ILE 3 -10.441 20.195 -13.159 22 HD12 ILE 3 HD12 ILE 3 -11.078 20.711 -14.723 23 HD13 ILE 3 HD13 ILE 3 -9.340 20.753 -14.418 24 H ASP 4 H ASP 4 -13.372 16.140 -16.830 25 HA ASP 4 HA ASP 4 -15.986 15.890 -15.604 26 HB2 ASP 4 HB3 ASP 4 -14.526 14.105 -17.614 27 HB3 ASP 4 HB2 ASP 4 -16.202 13.886 -17.116 28 H TYR 5 H TYR 5 -15.072 15.682 -13.400 29 HA TYR 5 HA TYR 5 -13.717 13.347 -12.500 30 HB2 TYR 5 HB3 TYR 5 -15.609 15.178 -10.953 31 HB3 TYR 5 HB2 TYR 5 -14.522 13.995 -10.234 32 HD1 TYR 5 HD1 TYR 5 -14.855 17.412 -11.300 33 HD2 TYR 5 HD2 TYR 5 -11.960 14.336 -10.623 34 HE1 TYR 5 HE1 TYR 5 -13.094 19.112 -11.101 35 HE2 TYR 5 HE2 TYR 5 -10.208 16.044 -10.432 36 HH TYR 5 HH TYR 5 -10.863 19.345 -10.069 37 H GLN 6 H GLN 6 -17.065 14.136 -13.112 38 HA GLN 6 HA GLN 6 -18.235 11.849 -11.840 39 HB2 GLN 6 HB3 GLN 6 -20.337 12.590 -12.851 40 HB3 GLN 6 HB2 GLN 6 -19.503 13.935 -12.084 41 HG2 GLN 6 HG3 GLN 6 -18.772 14.782 -14.259 42 HG3 GLN 6 HG2 GLN 6 -19.477 13.376 -15.065 43 HE21 GLN 6 HE21 GLN 6 -21.745 13.240 -15.266 44 HE22 GLN 6 HE22 GLN 6 -22.774 14.605 -15.004 45 H ALA 7 H ALA 7 -16.660 12.261 -14.887 46 HA ALA 7 HA ALA 7 -18.031 10.065 -16.236 47 HB1 ALA 7 HB1 ALA 7 -17.072 11.914 -17.544 48 HB2 ALA 7 HB2 ALA 7 -16.352 10.373 -18.007 49 HB3 ALA 7 HB3 ALA 7 -15.455 11.494 -16.978 50 H LEU 8 H LEU 8 -15.527 10.377 -13.927 51 HA LEU 8 HA LEU 8 -13.941 8.081 -14.556 52 HB2 LEU 8 HB3 LEU 8 -14.173 9.615 -11.940 53 HB3 LEU 8 HB2 LEU 8 -12.913 8.456 -12.329 54 HG LEU 8 HG LEU 8 -13.341 11.128 -13.732 55 HD11 LEU 8 HD11 LEU 8 -12.486 11.427 -11.453 56 HD12 LEU 8 HD12 LEU 8 -11.262 11.850 -12.645 57 HD13 LEU 8 HD13 LEU 8 -11.155 10.312 -11.784 58 HD21 LEU 8 HD21 LEU 8 -11.148 9.069 -14.157 59 HD22 LEU 8 HD22 LEU 8 -11.203 10.677 -14.883 60 HD23 LEU 8 HD23 LEU 8 -12.432 9.485 -15.295 61 H LYS 9 H LYS 9 -17.061 8.339 -13.097 62 HA LYS 9 HA LYS 9 -16.912 5.931 -11.529 63 HB2 LYS 9 HB3 LYS 9 -19.366 6.059 -11.325 64 HB3 LYS 9 HB2 LYS 9 -18.608 7.596 -10.947 65 HG2 LYS 9 HG3 LYS 9 -19.248 8.410 -13.230 66 HG3 LYS 9 HG2 LYS 9 -20.103 6.891 -13.482 67 HD2 LYS 9 HD3 LYS 9 -21.786 8.433 -12.845 68 HD3 LYS 9 HD2 LYS 9 -21.485 7.494 -11.387 69 HE2 LYS 9 HE3 LYS 9 -20.283 10.235 -11.932 70 HE3 LYS 9 HE2 LYS 9 -21.756 9.967 -11.009 71 HZ1 LYS 9 HZ1 LYS 9 -19.061 8.956 -10.288 72 HZ2 LYS 9 HZ2 LYS 9 -20.479 8.688 -9.405 73 HZ3 LYS 9 HZ3 LYS 9 -19.865 10.257 -9.562 74 H ARG 10 H ARG 10 -16.077 4.369 -12.714 75 HA ARG 10 HA ARG 10 -17.242 3.546 -15.286 76 HB2 ARG 10 HB3 ARG 10 -14.815 2.495 -13.790 77 HB3 ARG 10 HB2 ARG 10 -15.279 2.058 -15.426 78 HG2 ARG 10 HG3 ARG 10 -14.484 4.867 -14.580 79 HG3 ARG 10 HG2 ARG 10 -13.373 3.687 -15.272 80 HD2 ARG 10 HD3 ARG 10 -14.026 5.165 -17.029 81 HD3 ARG 10 HD2 ARG 10 -14.845 3.634 -17.325 82 HE ARG 10 HE ARG 10 -16.178 5.992 -16.104 83 HH11 ARG 10 HH11 ARG 10 -16.237 3.333 -18.402 84 HH12 ARG 10 HH12 ARG 10 -17.852 3.667 -18.939 85 HH21 ARG 10 HH21 ARG 10 -18.311 6.401 -16.799 86 HH22 ARG 10 HH22 ARG 10 -19.028 5.406 -18.034 87 H ARG 11 H ARG 11 -17.590 1.176 -15.582 88 HA ARG 11 HA ARG 11 -19.588 0.299 -13.726 89 HB2 ARG 11 HB3 ARG 11 -18.394 -1.074 -16.175 90 HB3 ARG 11 HB2 ARG 11 -19.825 -1.631 -15.309 91 HG2 ARG 11 HG3 ARG 11 -21.029 0.428 -15.902 92 HG3 ARG 11 HG2 ARG 11 -19.587 1.057 -16.707 93 HD2 ARG 11 HD3 ARG 11 -21.251 0.133 -18.309 94 HD3 ARG 11 HD2 ARG 11 -19.699 -0.702 -18.386 95 HE ARG 11 HE ARG 11 -20.663 -2.603 -17.410 96 HH11 ARG 11 HH11 ARG 11 -23.092 -0.094 -17.848 97 HH12 ARG 11 HH12 ARG 11 -24.417 -1.193 -17.640 98 HH21 ARG 11 HH21 ARG 11 -22.405 -4.015 -17.173 99 HH22 ARG 11 HH22 ARG 11 -24.030 -3.415 -17.263 100 H HIS 12 H HIS 12 -19.652 -2.093 -13.051 101 HA HIS 12 HA HIS 12 -17.023 -3.005 -12.041 102 HB2 HIS 12 HB3 HIS 12 -18.098 -3.784 -9.958 103 HB3 HIS 12 HB2 HIS 12 -18.241 -2.045 -10.163 104 HD1 HIS 12 HD1 HIS 12 -20.252 -5.143 -9.813 105 HD2 HIS 12 HD2 HIS 12 -20.905 -1.124 -10.602 106 HE1 HIS 12 HE1 HIS 12 -22.704 -4.777 -9.451 107 HE2 HIS 12 HE2 HIS 12 -23.084 -2.348 -9.955 108 H THR 13 H THR 13 -16.508 -4.756 -13.077 109 HA THR 13 HA THR 13 -18.282 -7.060 -13.392 110 HB THR 13 HB THR 13 -16.854 -5.857 -15.833 111 HG1 THR 13 HG1 THR 13 -18.458 -4.488 -15.807 112 HG21 THR 13 HG21 THR 13 -17.274 -8.300 -15.998 113 HG22 THR 13 HG22 THR 13 -18.235 -7.395 -17.169 114 HG23 THR 13 HG23 THR 13 -18.991 -8.019 -15.702 115 HA PRO 14 HA PRO 14 -14.119 -9.123 -12.866 116 HB2 PRO 14 HB3 PRO 14 -15.437 -11.295 -14.528 117 HB3 PRO 14 HB2 PRO 14 -14.548 -11.430 -12.994 118 HG2 PRO 14 HG3 PRO 14 -17.194 -11.629 -12.998 119 HG3 PRO 14 HG2 PRO 14 -16.369 -10.727 -11.702 120 HD2 PRO 14 HD3 PRO 14 -17.841 -9.659 -14.108 121 HD3 PRO 14 HD2 PRO 14 -17.836 -9.067 -12.433 122 H GLU 15 H GLU 15 -13.277 -7.461 -14.240 123 HA GLU 15 HA GLU 15 -12.212 -8.006 -16.774 124 HB2 GLU 15 HB3 GLU 15 -14.629 -7.925 -17.505 125 HB3 GLU 15 HB2 GLU 15 -14.773 -6.299 -16.846 126 HG2 GLU 15 HG3 GLU 15 -14.553 -6.241 -19.281 127 HG3 GLU 15 HG2 GLU 15 -13.171 -5.469 -18.514 128 H ALA 16 H ALA 16 -11.123 -6.070 -17.639 129 HA ALA 16 HA ALA 16 -10.280 -4.140 -15.662 130 HB1 ALA 16 HB1 ALA 16 -8.689 -5.111 -17.273 131 HB2 ALA 16 HB2 ALA 16 -8.755 -3.358 -17.441 132 HB3 ALA 16 HB3 ALA 16 -9.575 -4.388 -18.618 133 H GLU 17 H GLU 17 -12.801 -3.598 -15.638 134 HA GLU 17 HA GLU 17 -13.875 -1.730 -17.515 135 HB2 GLU 17 HB3 GLU 17 -14.550 -2.123 -14.563 136 HB3 GLU 17 HB2 GLU 17 -15.546 -1.271 -15.729 137 HG2 GLU 17 HG3 GLU 17 -14.871 -4.211 -15.931 138 HG3 GLU 17 HG2 GLU 17 -16.312 -3.592 -15.134 139 H ASN 18 H ASN 18 -12.207 -1.491 -14.462 140 HA ASN 18 HA ASN 18 -10.930 0.999 -15.128 141 HB2 ASN 18 HB3 ASN 18 -13.065 1.787 -14.088 142 HB3 ASN 18 HB2 ASN 18 -12.746 0.815 -12.663 143 HD21 ASN 18 HD21 ASN 18 -11.192 1.540 -11.182 144 HD22 ASN 18 HD22 ASN 18 -10.533 3.131 -11.225 145 HA PRO 19 HA PRO 19 -7.739 -1.178 -12.607 146 HB2 PRO 19 HB3 PRO 19 -6.837 1.700 -12.279 147 HB3 PRO 19 HB2 PRO 19 -5.885 0.263 -12.699 148 HG2 PRO 19 HG3 PRO 19 -6.493 1.983 -14.597 149 HG3 PRO 19 HG2 PRO 19 -6.655 0.238 -14.927 150 HD2 PRO 19 HD3 PRO 19 -8.810 2.243 -14.252 151 HD3 PRO 19 HD2 PRO 19 -8.821 0.952 -15.478 152 H ALA 20 H ALA 20 -9.534 -1.599 -11.101 153 HA ALA 20 HA ALA 20 -9.106 -0.840 -8.436 154 HB1 ALA 20 HB1 ALA 20 -11.191 0.408 -7.924 155 HB2 ALA 20 HB2 ALA 20 -11.594 0.453 -9.645 156 HB3 ALA 20 HB3 ALA 20 -10.172 1.307 -9.048 157 H GLU 21 H GLU 21 -11.624 -1.825 -10.779 158 HA GLU 21 HA GLU 21 -12.876 -3.622 -8.880 159 HB2 GLU 21 HB3 GLU 21 -14.295 -2.342 -10.444 160 HB3 GLU 21 HB2 GLU 21 -13.534 -3.146 -11.817 161 HG2 GLU 21 HG3 GLU 21 -15.763 -4.102 -11.239 162 HG3 GLU 21 HG2 GLU 21 -14.464 -5.287 -11.160 163 H ALA 22 H ALA 22 -12.372 -5.676 -8.589 164 HA ALA 22 HA ALA 22 -11.476 -7.746 -8.722 165 HB1 ALA 22 HB1 ALA 22 -11.623 -8.939 -10.856 166 HB2 ALA 22 HB2 ALA 22 -11.797 -7.415 -11.728 167 HB3 ALA 22 HB3 ALA 22 -13.061 -7.943 -10.616 168 H ASP 23 H ASP 23 -9.713 -5.268 -9.124 169 HA ASP 23 HA ASP 23 -7.456 -6.266 -10.753 170 HB2 ASP 23 HB3 ASP 23 -8.766 -4.142 -11.352 171 HB3 ASP 23 HB2 ASP 23 -8.162 -3.416 -9.875 172 H LEU 24 H LEU 24 -8.119 -6.828 -7.827 173 HA LEU 24 HA LEU 24 -6.522 -5.280 -6.084 174 HB2 LEU 24 HB3 LEU 24 -8.603 -6.681 -5.573 175 HB3 LEU 24 HB2 LEU 24 -7.577 -8.097 -5.574 176 HG LEU 24 HG LEU 24 -7.022 -5.785 -3.663 177 HD11 LEU 24 HD11 LEU 24 -8.404 -6.899 -1.936 178 HD12 LEU 24 HD12 LEU 24 -8.973 -8.061 -3.136 179 HD13 LEU 24 HD13 LEU 24 -9.372 -6.351 -3.302 180 HD21 LEU 24 HD21 LEU 24 -6.015 -7.524 -2.235 181 HD22 LEU 24 HD22 LEU 24 -5.256 -7.487 -3.823 182 HD23 LEU 24 HD23 LEU 24 -6.415 -8.761 -3.433 183 HA PRO 25 HA PRO 25 -2.596 -7.270 -7.089 184 HB2 PRO 25 HB3 PRO 25 -0.938 -5.795 -5.543 185 HB3 PRO 25 HB2 PRO 25 -1.804 -5.070 -6.910 186 HG2 PRO 25 HG3 PRO 25 -2.419 -4.887 -3.991 187 HG3 PRO 25 HG2 PRO 25 -2.521 -3.633 -5.246 188 HD2 PRO 25 HD3 PRO 25 -4.694 -5.118 -4.307 189 HD3 PRO 25 HD2 PRO 25 -4.646 -4.249 -5.851 190 H GLN 26 H GLN 26 -1.531 -9.077 -6.335 191 HA GLN 26 HA GLN 26 -1.987 -9.949 -3.545 192 HB2 GLN 26 HB3 GLN 26 -2.863 -11.487 -6.042 193 HB3 GLN 26 HB2 GLN 26 -2.823 -12.178 -4.423 194 HG2 GLN 26 HG3 GLN 26 -4.562 -10.666 -3.657 195 HG3 GLN 26 HG2 GLN 26 -4.500 -9.763 -5.170 196 HE21 GLN 26 HE21 GLN 26 -5.465 -10.645 -7.010 197 HE22 GLN 26 HE22 GLN 26 -6.593 -11.951 -6.919 198 H GLY 27 H GLY 27 0.129 -9.962 -3.039 199 HA2 GLY 27 HA3 GLY 27 1.723 -12.221 -3.550 200 HA3 GLY 27 HA2 GLY 27 2.337 -10.884 -4.529 201 H ASP 28 H ASP 28 4.082 -11.761 -2.727 202 HA ASP 28 HA ASP 28 3.890 -10.959 -0.047 203 HB2 ASP 28 HB3 ASP 28 6.392 -11.277 -1.762 204 HB3 ASP 28 HB2 ASP 28 6.400 -11.162 -0.003 205 H ILE 29 H ILE 29 5.241 -9.220 -2.826 206 HA ILE 29 HA ILE 29 5.937 -6.866 -1.260 207 HB ILE 29 HB ILE 29 6.007 -7.121 -4.309 208 HG12 ILE 29 HG13 ILE 29 7.317 -8.991 -3.405 209 HG13 ILE 29 HG12 ILE 29 8.404 -7.790 -4.084 210 HG21 ILE 29 HG21 ILE 29 7.563 -5.317 -2.410 211 HG22 ILE 29 HG22 ILE 29 6.243 -4.821 -3.472 212 HG23 ILE 29 HG23 ILE 29 7.764 -5.383 -4.162 213 HD11 ILE 29 HD11 ILE 29 9.276 -8.713 -2.025 214 HD12 ILE 29 HD12 ILE 29 7.840 -8.204 -1.144 215 HD13 ILE 29 HD13 ILE 29 8.936 -6.996 -1.823 216 H GLU 30 H GLU 30 3.350 -7.965 -3.368 217 HA GLU 30 HA GLU 30 2.314 -5.417 -4.107 218 HB2 GLU 30 HB3 GLU 30 1.150 -8.218 -4.241 219 HB3 GLU 30 HB2 GLU 30 0.292 -6.800 -4.836 220 HG2 GLU 30 HG3 GLU 30 1.341 -7.953 -6.683 221 HG3 GLU 30 HG2 GLU 30 2.097 -6.382 -6.466 222 H LYS 31 H LYS 31 1.544 -7.689 -1.485 223 HA LYS 31 HA LYS 31 -0.771 -6.293 -0.508 224 HB2 LYS 31 HB3 LYS 31 -0.558 -7.704 1.503 225 HB3 LYS 31 HB2 LYS 31 -0.376 -8.673 0.045 226 HG2 LYS 31 HG3 LYS 31 2.045 -8.755 0.333 227 HG3 LYS 31 HG2 LYS 31 1.951 -7.663 1.716 228 HD2 LYS 31 HD3 LYS 31 0.665 -9.383 2.971 229 HD3 LYS 31 HD2 LYS 31 0.799 -10.479 1.590 230 HE2 LYS 31 HE3 LYS 31 3.234 -10.543 1.829 231 HE3 LYS 31 HE2 LYS 31 3.169 -9.346 3.127 232 HZ1 LYS 31 HZ1 LYS 31 1.927 -12.040 3.237 233 HZ2 LYS 31 HZ2 LYS 31 1.980 -10.907 4.494 234 HZ3 LYS 31 HZ3 LYS 31 3.405 -11.622 3.939 235 H GLN 32 H GLN 32 2.688 -6.157 0.138 236 HA GLN 32 HA GLN 32 2.729 -4.505 2.412 237 HB2 GLN 32 HB3 GLN 32 4.682 -5.830 1.653 238 HB3 GLN 32 HB2 GLN 32 4.785 -4.875 0.181 239 HG2 GLN 32 HG3 GLN 32 6.531 -4.172 1.685 240 HG3 GLN 32 HG2 GLN 32 5.349 -2.872 1.560 241 HE21 GLN 32 HE21 GLN 32 6.712 -5.324 3.642 242 HE22 GLN 32 HE22 GLN 32 6.037 -4.740 5.119 243 H VAL 33 H VAL 33 3.324 -3.714 -1.003 244 HA VAL 33 HA VAL 33 3.434 -0.920 -0.753 245 HB VAL 33 HB VAL 33 2.853 -2.635 -3.214 246 HG11 VAL 33 HG11 VAL 33 3.620 -0.733 -4.578 247 HG12 VAL 33 HG12 VAL 33 3.794 0.261 -3.130 248 HG13 VAL 33 HG13 VAL 33 2.196 -0.294 -3.636 249 HG21 VAL 33 HG21 VAL 33 5.499 -1.504 -2.219 250 HG22 VAL 33 HG22 VAL 33 5.257 -2.435 -3.699 251 HG23 VAL 33 HG23 VAL 33 4.997 -3.195 -2.132 252 H ALA 34 H ALA 34 0.699 -3.119 -1.366 253 HA ALA 34 HA ALA 34 -1.250 -1.192 -2.075 254 HB1 ALA 34 HB1 ALA 34 -2.927 -2.885 -1.465 255 HB2 ALA 34 HB2 ALA 34 -1.677 -3.848 -0.668 256 HB3 ALA 34 HB3 ALA 34 -1.617 -3.593 -2.412 257 H ALA 35 H ALA 35 -0.451 -2.644 1.088 258 HA ALA 35 HA ALA 35 -2.335 -1.254 2.655 259 HB1 ALA 35 HB1 ALA 35 -0.989 -1.968 4.590 260 HB2 ALA 35 HB2 ALA 35 0.342 -2.405 3.514 261 HB3 ALA 35 HB3 ALA 35 -1.183 -3.284 3.430 262 H LEU 36 H LEU 36 1.064 -0.513 1.897 263 HA LEU 36 HA LEU 36 1.405 1.728 3.581 264 HB2 LEU 36 HB3 LEU 36 2.860 1.070 0.990 265 HB3 LEU 36 HB2 LEU 36 3.419 2.207 2.209 266 HG LEU 36 HG LEU 36 3.120 -0.796 2.614 267 HD11 LEU 36 HD11 LEU 36 5.566 -0.886 2.644 268 HD12 LEU 36 HD12 LEU 36 5.645 0.836 2.266 269 HD13 LEU 36 HD13 LEU 36 4.958 -0.295 1.099 270 HD21 LEU 36 HD21 LEU 36 4.244 1.277 4.513 271 HD22 LEU 36 HD22 LEU 36 4.282 -0.472 4.752 272 HD23 LEU 36 HD23 LEU 36 2.739 0.376 4.711 273 H TRP 37 H TRP 37 0.593 1.514 0.109 274 HA TRP 37 HA TRP 37 0.386 4.288 -0.401 275 HB2 TRP 37 HB3 TRP 37 -0.754 1.866 -1.824 276 HB3 TRP 37 HB2 TRP 37 -1.123 3.494 -2.373 277 HD1 TRP 37 HD1 TRP 37 2.472 2.726 -1.226 278 HE1 TRP 37 HE1 TRP 37 3.994 2.781 -3.295 279 HE3 TRP 37 HE3 TRP 37 -1.099 3.070 -4.892 280 HZ2 TRP 37 HZ2 TRP 37 3.741 2.925 -6.078 281 HZ3 TRP 37 HZ3 TRP 37 -0.356 3.158 -7.243 282 HH2 TRP 37 HH2 TRP 37 2.022 3.085 -7.815 283 H GLN 38 H GLN 38 -2.068 1.907 0.653 284 HA GLN 38 HA GLN 38 -4.350 3.555 0.432 285 HB2 GLN 38 HB3 GLN 38 -3.745 1.135 2.151 286 HB3 GLN 38 HB2 GLN 38 -5.311 1.942 2.233 287 HG2 GLN 38 HG3 GLN 38 -5.755 1.472 -0.092 288 HG3 GLN 38 HG2 GLN 38 -4.118 0.866 -0.325 289 HE21 GLN 38 HE21 GLN 38 -4.841 -1.099 -1.103 290 HE22 GLN 38 HE22 GLN 38 -5.583 -2.284 -0.095 291 H GLN 39 H GLN 39 -2.013 3.223 3.052 292 HA GLN 39 HA GLN 39 -3.466 4.800 4.970 293 HB2 GLN 39 HB3 GLN 39 -0.517 4.030 4.900 294 HB3 GLN 39 HB2 GLN 39 -1.356 4.707 6.289 295 HG2 GLN 39 HG3 GLN 39 -1.816 1.996 5.030 296 HG3 GLN 39 HG2 GLN 39 -1.081 2.323 6.594 297 HE21 GLN 39 HE21 GLN 39 -2.438 3.030 8.306 298 HE22 GLN 39 HE22 GLN 39 -4.140 2.753 8.282 299 H LEU 40 H LEU 40 -0.649 5.433 2.855 300 HA LEU 40 HA LEU 40 -0.202 8.097 3.793 301 HB2 LEU 40 HB3 LEU 40 0.960 6.353 1.629 302 HB3 LEU 40 HB2 LEU 40 1.336 8.064 1.622 303 HG LEU 40 HG LEU 40 3.079 6.647 2.724 304 HD11 LEU 40 HD11 LEU 40 3.477 8.111 4.652 305 HD12 LEU 40 HD12 LEU 40 1.811 8.687 4.584 306 HD13 LEU 40 HD13 LEU 40 2.924 9.045 3.263 307 HD21 LEU 40 HD21 LEU 40 0.995 6.145 4.877 308 HD22 LEU 40 HD22 LEU 40 2.710 5.751 5.000 309 HD23 LEU 40 HD23 LEU 40 1.708 4.943 3.799 310 H LEU 41 H LEU 41 -1.683 6.785 0.819 311 HA LEU 41 HA LEU 41 -2.361 9.361 -0.282 312 HB2 LEU 41 HB3 LEU 41 -3.541 6.634 -0.981 313 HB3 LEU 41 HB2 LEU 41 -3.702 8.098 -1.935 314 HG LEU 41 HG LEU 41 -1.113 6.589 -1.428 315 HD11 LEU 41 HD11 LEU 41 -1.152 6.031 -3.815 316 HD12 LEU 41 HD12 LEU 41 -2.723 6.819 -3.982 317 HD13 LEU 41 HD13 LEU 41 -2.557 5.383 -2.971 318 HD21 LEU 41 HD21 LEU 41 -1.575 9.080 -3.086 319 HD22 LEU 41 HD22 LEU 41 -0.082 8.142 -3.041 320 HD23 LEU 41 HD23 LEU 41 -0.646 8.961 -1.590 321 H SER 42 H SER 42 -3.708 7.424 2.192 322 HA SER 42 HA SER 42 -5.461 7.609 3.587 323 HB2 SER 42 HB3 SER 42 -5.915 10.363 2.329 324 HB3 SER 42 HB2 SER 42 -6.538 9.813 3.888 325 HG SER 42 HG SER 42 -3.779 9.920 3.251 326 H THR 43 H THR 43 -5.751 6.238 1.202 327 HA THR 43 HA THR 43 -8.551 6.656 0.345 328 HB THR 43 HB THR 43 -7.047 6.777 -1.557 329 HG1 THR 43 HG1 THR 43 -7.836 4.908 -2.758 330 HG21 THR 43 HG21 THR 43 -5.511 4.982 -2.201 331 HG22 THR 43 HG22 THR 43 -5.943 4.063 -0.761 332 HG23 THR 43 HG23 THR 43 -5.088 5.599 -0.600 333 H GLY 44 H GLY 44 -9.851 4.751 0.040 334 HA2 GLY 44 HA3 GLY 44 -9.666 2.819 2.157 335 HA3 GLY 44 HA2 GLY 44 -10.897 2.895 0.906 336 H ASN 45 H ASN 45 -8.840 2.857 -1.255 337 HA ASN 45 HA ASN 45 -7.562 0.265 -1.057 338 HB2 ASN 45 HB3 ASN 45 -8.798 -0.862 -2.821 339 HB3 ASN 45 HB2 ASN 45 -9.952 -0.328 -1.610 340 HD21 ASN 45 HD21 ASN 45 -8.893 0.041 -4.904 341 HD22 ASN 45 HD22 ASN 45 -10.198 1.047 -5.419 342 H VAL 46 H VAL 46 -5.935 0.017 -2.461 343 HA VAL 46 HA VAL 46 -5.856 1.537 -4.989 344 HB VAL 46 HB VAL 46 -3.292 1.530 -4.831 345 HG11 VAL 46 HG11 VAL 46 -4.547 3.611 -4.544 346 HG12 VAL 46 HG12 VAL 46 -3.129 3.591 -3.497 347 HG13 VAL 46 HG13 VAL 46 -4.731 3.288 -2.819 348 HG21 VAL 46 HG21 VAL 46 -3.779 1.083 -1.865 349 HG22 VAL 46 HG22 VAL 46 -2.225 1.368 -2.642 350 HG23 VAL 46 HG23 VAL 46 -3.112 -0.114 -2.972 351 H THR 47 H THR 47 -5.409 0.223 -6.692 352 HA THR 47 HA THR 47 -4.905 -2.640 -6.144 353 HB THR 47 HB THR 47 -6.195 -3.046 -8.250 354 HG1 THR 47 HG1 THR 47 -6.761 -1.416 -9.446 355 HG21 THR 47 HG21 THR 47 -8.432 -2.591 -7.314 356 HG22 THR 47 HG22 THR 47 -7.729 -1.512 -6.110 357 HG23 THR 47 HG23 THR 47 -7.352 -3.238 -6.079 358 H ARG 48 H ARG 48 -4.182 -3.713 -8.408 359 HA ARG 48 HA ARG 48 -1.435 -3.156 -8.464 360 HB2 ARG 48 HB3 ARG 48 -1.281 -4.923 -10.156 361 HB3 ARG 48 HB2 ARG 48 -2.435 -5.379 -8.910 362 HG2 ARG 48 HG3 ARG 48 -4.275 -4.594 -10.441 363 HG3 ARG 48 HG2 ARG 48 -3.062 -4.392 -11.699 364 HD2 ARG 48 HD3 ARG 48 -2.572 -6.791 -11.646 365 HD3 ARG 48 HD2 ARG 48 -3.712 -7.009 -10.306 366 HE ARG 48 HE ARG 48 -5.074 -5.776 -12.408 367 HH11 ARG 48 HH11 ARG 48 -3.591 -8.914 -11.796 368 HH12 ARG 48 HH12 ARG 48 -4.679 -9.753 -12.858 369 HH21 ARG 48 HH21 ARG 48 -6.528 -6.883 -13.709 370 HH22 ARG 48 HH22 ARG 48 -6.346 -8.598 -13.941 371 H GLU 49 H GLU 49 -3.998 -2.072 -10.633 372 HA GLU 49 HA GLU 49 -2.052 -0.787 -12.441 373 HB2 GLU 49 HB3 GLU 49 -4.970 -1.516 -12.846 374 HB3 GLU 49 HB2 GLU 49 -4.050 -0.566 -13.998 375 HG2 GLU 49 HG3 GLU 49 -3.431 -3.417 -13.178 376 HG3 GLU 49 HG2 GLU 49 -4.225 -2.926 -14.675 377 H THR 50 H THR 50 -3.885 0.036 -9.776 378 HA THR 50 HA THR 50 -4.766 2.663 -10.404 379 HB THR 50 HB THR 50 -3.919 1.434 -7.742 380 HG1 THR 50 HG1 THR 50 -6.016 0.980 -9.072 381 HG21 THR 50 HG21 THR 50 -5.251 4.147 -8.145 382 HG22 THR 50 HG22 THR 50 -3.613 3.888 -7.545 383 HG23 THR 50 HG23 THR 50 -4.993 3.344 -6.592 384 H ASP 51 H ASP 51 -3.692 4.589 -10.498 385 HA ASP 51 HA ASP 51 -0.763 4.575 -10.404 386 HB2 ASP 51 HB3 ASP 51 -2.574 6.896 -11.197 387 HB3 ASP 51 HB2 ASP 51 -0.846 6.754 -11.482 388 H PHE 52 H PHE 52 0.392 5.655 -8.928 389 HA PHE 52 HA PHE 52 -0.500 6.258 -6.382 390 HB2 PHE 52 HB3 PHE 52 1.881 5.786 -7.033 391 HB3 PHE 52 HB2 PHE 52 1.975 7.359 -7.814 392 HD1 PHE 52 HD1 PHE 52 1.581 5.651 -4.541 393 HD2 PHE 52 HD2 PHE 52 2.463 9.341 -6.518 394 HE1 PHE 52 HE1 PHE 52 2.290 6.632 -2.413 395 HE2 PHE 52 HE2 PHE 52 3.172 10.306 -4.376 396 HZ PHE 52 HZ PHE 52 3.085 8.956 -2.324 397 H PHE 53 H PHE 53 0.303 8.447 -9.039 398 HA PHE 53 HA PHE 53 -0.268 10.870 -7.673 399 HB2 PHE 53 HB3 PHE 53 0.118 10.307 -10.643 400 HB3 PHE 53 HB2 PHE 53 0.051 11.917 -9.926 401 HD1 PHE 53 HD1 PHE 53 1.824 12.572 -8.191 402 HD2 PHE 53 HD2 PHE 53 2.195 9.075 -10.639 403 HE1 PHE 53 HE1 PHE 53 4.231 12.469 -7.691 404 HE2 PHE 53 HE2 PHE 53 4.600 8.991 -10.134 405 HZ PHE 53 HZ PHE 53 5.620 10.678 -8.659 406 H GLN 54 H GLN 54 -2.098 8.914 -10.022 407 HA GLN 54 HA GLN 54 -4.295 10.674 -10.395 408 HB2 GLN 54 HB3 GLN 54 -3.836 8.800 -11.927 409 HB3 GLN 54 HB2 GLN 54 -4.177 7.638 -10.649 410 HG2 GLN 54 HG3 GLN 54 -6.543 8.514 -10.586 411 HG3 GLN 54 HG2 GLN 54 -6.169 9.502 -11.997 412 HE21 GLN 54 HE21 GLN 54 -6.690 6.263 -10.816 413 HE22 GLN 54 HE22 GLN 54 -6.858 5.503 -12.356 414 H GLN 55 H GLN 55 -3.533 8.329 -7.904 415 HA GLN 55 HA GLN 55 -6.193 8.361 -6.685 416 HB2 GLN 55 HB3 GLN 55 -4.630 6.301 -6.875 417 HB3 GLN 55 HB2 GLN 55 -3.672 7.035 -5.597 418 HG2 GLN 55 HG3 GLN 55 -5.122 5.370 -4.629 419 HG3 GLN 55 HG2 GLN 55 -5.670 6.953 -4.101 420 HE21 GLN 55 HE21 GLN 55 -6.353 5.536 -7.278 421 HE22 GLN 55 HE22 GLN 55 -8.047 5.353 -7.019 422 H GLY 56 H GLY 56 -4.291 10.782 -6.808 423 HA2 GLY 56 HA3 GLY 56 -4.472 12.721 -5.545 424 HA3 GLY 56 HA2 GLY 56 -4.998 11.778 -4.162 425 H GLY 57 H GLY 57 -2.180 10.592 -5.717 426 HA2 GLY 57 HA3 GLY 57 -0.462 11.340 -3.485 427 HA3 GLY 57 HA2 GLY 57 -0.058 10.282 -4.829 428 H ASP 58 H ASP 58 1.411 12.513 -3.621 429 HA ASP 58 HA ASP 58 1.910 14.126 -6.074 430 HB2 ASP 58 HB3 ASP 58 2.165 14.993 -3.144 431 HB3 ASP 58 HB2 ASP 58 2.738 15.942 -4.517 432 H SER 59 H SER 59 4.242 14.999 -5.999 433 HA SER 59 HA SER 59 6.196 12.964 -5.560 434 HB2 SER 59 HB3 SER 59 7.841 14.838 -6.044 435 HB3 SER 59 HB2 SER 59 6.590 14.660 -7.275 436 HG SER 59 HG SER 59 5.798 16.558 -6.766 437 H LEU 60 H LEU 60 5.042 15.728 -3.739 438 HA LEU 60 HA LEU 60 6.864 15.816 -1.593 439 HB2 LEU 60 HB3 LEU 60 5.073 17.511 -2.412 440 HB3 LEU 60 HB2 LEU 60 3.905 16.568 -1.517 441 HG LEU 60 HG LEU 60 4.632 18.656 -0.359 442 HD11 LEU 60 HD11 LEU 60 5.347 16.171 1.216 443 HD12 LEU 60 HD12 LEU 60 3.729 16.840 0.997 444 HD13 LEU 60 HD13 LEU 60 4.944 17.759 1.882 445 HD21 LEU 60 HD21 LEU 60 6.873 18.844 0.637 446 HD22 LEU 60 HD22 LEU 60 6.949 18.761 -1.121 447 HD23 LEU 60 HD23 LEU 60 7.363 17.342 -0.157 448 H LEU 61 H LEU 61 3.710 14.188 -1.984 449 HA LEU 61 HA LEU 61 3.656 12.811 0.503 450 HB2 LEU 61 HB3 LEU 61 1.740 13.353 -1.197 451 HB3 LEU 61 HB2 LEU 61 2.226 11.895 -2.034 452 HG LEU 61 HG LEU 61 1.325 11.917 0.881 453 HD11 LEU 61 HD11 LEU 61 -0.393 11.359 -1.564 454 HD12 LEU 61 HD12 LEU 61 -0.525 12.752 -0.489 455 HD13 LEU 61 HD13 LEU 61 -0.886 11.139 0.118 456 HD21 LEU 61 HD21 LEU 61 2.618 9.929 0.287 457 HD22 LEU 61 HD22 LEU 61 1.560 9.619 -1.089 458 HD23 LEU 61 HD23 LEU 61 0.929 9.505 0.556 459 H ALA 62 H ALA 62 4.917 12.068 -2.699 460 HA ALA 62 HA ALA 62 5.411 9.304 -2.419 461 HB1 ALA 62 HB1 ALA 62 6.822 9.587 -4.425 462 HB2 ALA 62 HB2 ALA 62 6.744 11.338 -4.231 463 HB3 ALA 62 HB3 ALA 62 5.279 10.425 -4.588 464 H THR 63 H THR 63 7.386 12.169 -1.715 465 HA THR 63 HA THR 63 9.871 10.950 -1.210 466 HB THR 63 HB THR 63 8.742 13.503 0.045 467 HG1 THR 63 HG1 THR 63 8.804 14.140 -1.958 468 HG21 THR 63 HG21 THR 63 10.849 12.753 1.165 469 HG22 THR 63 HG22 THR 63 11.104 14.230 0.233 470 HG23 THR 63 HG23 THR 63 11.646 12.679 -0.407 471 H ARG 64 H ARG 64 7.036 11.364 0.821 472 HA ARG 64 HA ARG 64 8.186 10.278 3.237 473 HB2 ARG 64 HB3 ARG 64 5.335 10.855 2.345 474 HB3 ARG 64 HB2 ARG 64 5.709 10.152 3.920 475 HG2 ARG 64 HG3 ARG 64 6.862 12.109 4.647 476 HG3 ARG 64 HG2 ARG 64 6.913 12.790 3.019 477 HD2 ARG 64 HD3 ARG 64 4.545 13.246 3.048 478 HD3 ARG 64 HD2 ARG 64 4.324 12.310 4.526 479 HE ARG 64 HE ARG 64 4.842 14.151 5.716 480 HH11 ARG 64 HH11 ARG 64 6.352 14.634 2.563 481 HH12 ARG 64 HH12 ARG 64 6.914 16.223 2.960 482 HH21 ARG 64 HH21 ARG 64 5.568 16.237 6.180 483 HH22 ARG 64 HH22 ARG 64 6.471 17.124 4.991 484 H LEU 65 H LEU 65 6.092 9.055 0.611 485 HA LEU 65 HA LEU 65 5.367 6.589 1.700 486 HB2 LEU 65 HB3 LEU 65 4.249 7.700 -0.227 487 HB3 LEU 65 HB2 LEU 65 5.631 7.360 -1.241 488 HG LEU 65 HG LEU 65 3.513 5.879 -1.515 489 HD11 LEU 65 HD11 LEU 65 4.762 3.861 -2.088 490 HD12 LEU 65 HD12 LEU 65 6.158 4.447 -1.180 491 HD13 LEU 65 HD13 LEU 65 5.614 5.312 -2.617 492 HD21 LEU 65 HD21 LEU 65 4.583 4.521 0.981 493 HD22 LEU 65 HD22 LEU 65 3.262 3.948 -0.039 494 HD23 LEU 65 HD23 LEU 65 3.083 5.445 0.867 495 H THR 66 H THR 66 8.222 7.481 -0.194 496 HA THR 66 HA THR 66 9.348 4.993 -0.734 497 HB THR 66 HB THR 66 11.560 6.148 -0.742 498 HG1 THR 66 HG1 THR 66 10.311 8.588 -0.097 499 HG21 THR 66 HG21 THR 66 9.362 7.787 -2.055 500 HG22 THR 66 HG22 THR 66 10.152 6.372 -2.748 501 HG23 THR 66 HG23 THR 66 11.075 7.848 -2.468 502 H GLY 67 H GLY 67 9.515 6.960 2.170 503 HA2 GLY 67 HA3 GLY 67 11.309 5.520 3.766 504 HA3 GLY 67 HA2 GLY 67 10.033 6.573 4.360 505 H GLN 68 H GLN 68 7.797 5.057 3.309 506 HA GLN 68 HA GLN 68 7.466 3.060 5.321 507 HB2 GLN 68 HB3 GLN 68 5.819 3.931 2.953 508 HB3 GLN 68 HB2 GLN 68 5.413 2.413 3.738 509 HG2 GLN 68 HG3 GLN 68 4.007 4.099 4.665 510 HG3 GLN 68 HG2 GLN 68 5.179 3.651 5.904 511 HE21 GLN 68 HE21 GLN 68 4.879 5.616 7.005 512 HE22 GLN 68 HE22 GLN 68 5.479 7.113 6.394 513 H LEU 69 H LEU 69 8.727 2.892 2.070 514 HA LEU 69 HA LEU 69 8.792 -0.019 2.046 515 HB2 LEU 69 HB3 LEU 69 9.998 2.071 0.193 516 HB3 LEU 69 HB2 LEU 69 10.348 0.359 0.022 517 HG LEU 69 HG LEU 69 8.645 0.898 -1.580 518 HD11 LEU 69 HD11 LEU 69 6.809 -0.597 -0.963 519 HD12 LEU 69 HD12 LEU 69 7.319 -0.558 0.726 520 HD13 LEU 69 HD13 LEU 69 8.369 -1.275 -0.498 521 HD21 LEU 69 HD21 LEU 69 7.804 2.990 -0.611 522 HD22 LEU 69 HD22 LEU 69 6.946 2.085 0.638 523 HD23 LEU 69 HD23 LEU 69 6.487 1.908 -1.057 524 H HIS 70 H HIS 70 10.958 2.648 2.887 525 HA HIS 70 HA HIS 70 13.406 1.232 2.990 526 HB2 HIS 70 HB3 HIS 70 12.534 3.745 4.481 527 HB3 HIS 70 HB2 HIS 70 14.180 3.125 4.505 528 HD1 HIS 70 HD1 HIS 70 14.170 5.815 3.553 529 HD2 HIS 70 HD2 HIS 70 13.205 2.716 0.950 530 HE1 HIS 70 HE1 HIS 70 14.526 6.735 1.243 531 HE2 HIS 70 HE2 HIS 70 14.167 4.783 -0.292 532 H GLN 71 H GLN 71 10.901 1.749 5.460 533 HA GLN 71 HA GLN 71 12.246 0.470 7.639 534 HB2 GLN 71 HB3 GLN 71 10.020 0.400 8.724 535 HB3 GLN 71 HB2 GLN 71 10.337 1.983 8.023 536 HG2 GLN 71 HG3 GLN 71 8.879 1.521 6.151 537 HG3 GLN 71 HG2 GLN 71 8.666 -0.148 6.663 538 HE21 GLN 71 HE21 GLN 71 7.360 -0.553 8.548 539 HE22 GLN 71 HE22 GLN 71 6.203 0.611 9.087 540 H ALA 72 H ALA 72 10.211 -0.697 5.002 541 HA ALA 72 HA ALA 72 9.999 -3.440 5.916 542 HB1 ALA 72 HB1 ALA 72 8.253 -2.423 4.509 543 HB2 ALA 72 HB2 ALA 72 8.941 -3.840 3.720 544 HB3 ALA 72 HB3 ALA 72 9.405 -2.220 3.189 545 H GLY 73 H GLY 73 12.462 -1.616 4.477 546 HA2 GLY 73 HA3 GLY 73 14.652 -2.246 4.067 547 HA3 GLY 73 HA2 GLY 73 14.172 -3.937 4.092 548 H TYR 74 H TYR 74 12.592 -1.501 2.123 549 HA TYR 74 HA TYR 74 13.961 -2.457 -0.325 550 HB2 TYR 74 HB3 TYR 74 11.010 -1.706 0.016 551 HB3 TYR 74 HB2 TYR 74 11.787 -1.922 -1.558 552 HD1 TYR 74 HD1 TYR 74 10.459 -3.655 1.406 553 HD2 TYR 74 HD2 TYR 74 12.602 -4.181 -2.259 554 HE1 TYR 74 HE1 TYR 74 10.182 -6.086 1.585 555 HE2 TYR 74 HE2 TYR 74 12.315 -6.617 -2.076 556 HH TYR 74 HH TYR 74 10.220 -8.072 0.203 557 H GLU 75 H GLU 75 15.111 -0.905 -1.297 558 HA GLU 75 HA GLU 75 14.897 1.870 -0.668 559 HB2 GLU 75 HB3 GLU 75 16.449 0.389 -2.832 560 HB3 GLU 75 HB2 GLU 75 16.503 2.137 -2.665 561 HG2 GLU 75 HG3 GLU 75 17.370 0.145 -0.578 562 HG3 GLU 75 HG2 GLU 75 18.447 1.013 -1.657 563 H ALA 76 H ALA 76 13.080 2.873 -1.208 564 HA ALA 76 HA ALA 76 12.092 2.771 -3.987 565 HB1 ALA 76 HB1 ALA 76 10.050 3.860 -3.095 566 HB2 ALA 76 HB2 ALA 76 10.736 3.775 -1.468 567 HB3 ALA 76 HB3 ALA 76 10.363 2.294 -2.347 568 H GLN 77 H GLN 77 12.116 4.598 -5.190 569 HA GLN 77 HA GLN 77 13.071 7.153 -4.028 570 HB2 GLN 77 HB3 GLN 77 13.977 5.812 -6.619 571 HB3 GLN 77 HB2 GLN 77 14.229 7.522 -6.307 572 HG2 GLN 77 HG3 GLN 77 15.343 5.289 -4.586 573 HG3 GLN 77 HG2 GLN 77 16.235 6.110 -5.867 574 HE21 GLN 77 HE21 GLN 77 16.823 5.961 -3.024 575 HE22 GLN 77 HE22 GLN 77 16.878 7.582 -2.439 576 H LEU 78 H LEU 78 12.454 9.015 -5.300 577 HA LEU 78 HA LEU 78 9.787 9.114 -6.162 578 HB2 LEU 78 HB3 LEU 78 12.044 11.036 -6.872 579 HB3 LEU 78 HB2 LEU 78 10.327 11.366 -7.049 580 HG LEU 78 HG LEU 78 11.820 10.978 -4.429 581 HD11 LEU 78 HD11 LEU 78 11.206 13.319 -3.989 582 HD12 LEU 78 HD12 LEU 78 10.481 13.434 -5.595 583 HD13 LEU 78 HD13 LEU 78 12.215 13.163 -5.424 584 HD21 LEU 78 HD21 LEU 78 8.857 11.425 -4.868 585 HD22 LEU 78 HD22 LEU 78 9.684 11.496 -3.313 586 HD23 LEU 78 HD23 LEU 78 9.625 9.980 -4.201 587 H SER 79 H SER 79 12.768 8.493 -7.923 588 HA SER 79 HA SER 79 11.793 8.735 -10.572 589 HB2 SER 79 HB3 SER 79 14.075 6.988 -9.550 590 HB3 SER 79 HB2 SER 79 13.833 7.519 -11.217 591 HG SER 79 HG SER 79 13.808 9.639 -9.548 592 H ASP 80 H ASP 80 11.805 6.020 -8.287 593 HA ASP 80 HA ASP 80 10.805 4.032 -10.086 594 HB2 ASP 80 HB3 ASP 80 10.670 4.164 -7.042 595 HB3 ASP 80 HB2 ASP 80 10.249 2.748 -8.002 596 H LEU 81 H LEU 81 9.279 6.243 -7.754 597 HA LEU 81 HA LEU 81 6.590 5.314 -8.129 598 HB2 LEU 81 HB3 LEU 81 7.879 7.687 -6.760 599 HB3 LEU 81 HB2 LEU 81 6.132 7.669 -6.954 600 HG LEU 81 HG LEU 81 7.609 5.369 -5.624 601 HD11 LEU 81 HD11 LEU 81 8.112 7.424 -4.359 602 HD12 LEU 81 HD12 LEU 81 7.103 6.308 -3.447 603 HD13 LEU 81 HD13 LEU 81 6.383 7.738 -4.190 604 HD21 LEU 81 HD21 LEU 81 5.351 4.863 -6.432 605 HD22 LEU 81 HD22 LEU 81 4.697 6.238 -5.539 606 HD23 LEU 81 HD23 LEU 81 5.389 4.867 -4.669 607 H PHE 82 H PHE 82 8.534 7.717 -9.740 608 HA PHE 82 HA PHE 82 6.319 9.193 -10.893 609 HB2 PHE 82 HB3 PHE 82 8.688 10.109 -10.192 610 HB3 PHE 82 HB2 PHE 82 9.236 9.494 -11.745 611 HD1 PHE 82 HD1 PHE 82 8.668 10.695 -13.809 612 HD2 PHE 82 HD2 PHE 82 6.986 11.920 -10.066 613 HE1 PHE 82 HE1 PHE 82 7.886 12.791 -14.833 614 HE2 PHE 82 HE2 PHE 82 6.216 14.008 -11.095 615 HZ PHE 82 HZ PHE 82 6.663 14.452 -13.481 616 H ASN 83 H ASN 83 8.875 6.979 -12.010 617 HA ASN 83 HA ASN 83 7.959 6.909 -14.753 618 HB2 ASN 83 HB3 ASN 83 10.364 6.627 -14.135 619 HB3 ASN 83 HB2 ASN 83 9.976 5.114 -13.324 620 HD21 ASN 83 HD21 ASN 83 8.723 6.291 -16.457 621 HD22 ASN 83 HD22 ASN 83 9.409 5.014 -17.390 622 H HIS 84 H HIS 84 7.459 5.000 -11.853 623 HA HIS 84 HA HIS 84 5.662 3.141 -13.318 624 HB2 HIS 84 HB3 HIS 84 7.231 2.430 -10.790 625 HB3 HIS 84 HB2 HIS 84 6.289 1.344 -11.804 626 HD1 HIS 84 HD1 HIS 84 7.444 0.433 -13.933 627 HD2 HIS 84 HD2 HIS 84 9.803 3.084 -11.784 628 HE1 HIS 84 HE1 HIS 84 9.741 0.218 -14.899 629 HE2 HIS 84 HE2 HIS 84 11.164 1.770 -13.542 630 HA PRO 85 HA PRO 85 3.211 5.472 -10.138 631 HB2 PRO 85 HB3 PRO 85 1.079 6.141 -11.691 632 HB3 PRO 85 HB2 PRO 85 2.598 7.058 -11.745 633 HG2 PRO 85 HG3 PRO 85 1.575 4.998 -13.654 634 HG3 PRO 85 HG2 PRO 85 2.442 6.511 -13.993 635 HD2 PRO 85 HD3 PRO 85 3.635 4.004 -13.945 636 HD3 PRO 85 HD2 PRO 85 4.507 5.534 -13.708 637 H ARG 86 H ARG 86 2.388 2.789 -12.287 638 HA ARG 86 HA ARG 86 0.062 1.866 -10.911 639 HB2 ARG 86 HB3 ARG 86 1.940 0.698 -12.964 640 HB3 ARG 86 HB2 ARG 86 0.961 -0.436 -12.040 641 HG2 ARG 86 HG3 ARG 86 -0.177 0.035 -14.091 642 HG3 ARG 86 HG2 ARG 86 -1.082 0.779 -12.779 643 HD2 ARG 86 HD3 ARG 86 -1.087 2.338 -14.561 644 HD3 ARG 86 HD2 ARG 86 0.075 2.961 -13.386 645 HE ARG 86 HE ARG 86 1.473 1.391 -15.247 646 HH11 ARG 86 HH11 ARG 86 -0.351 4.401 -15.192 647 HH12 ARG 86 HH12 ARG 86 0.541 5.098 -16.516 648 HH21 ARG 86 HH21 ARG 86 2.610 2.322 -17.010 649 HH22 ARG 86 HH22 ARG 86 2.209 3.924 -17.540 650 H LEU 87 H LEU 87 -0.141 0.238 -9.365 651 HA LEU 87 HA LEU 87 1.710 0.368 -7.243 652 HB2 LEU 87 HB3 LEU 87 -0.779 0.069 -7.110 653 HB3 LEU 87 HB2 LEU 87 -0.585 -1.596 -7.619 654 HG LEU 87 HG LEU 87 0.665 -0.525 -5.044 655 HD11 LEU 87 HD11 LEU 87 -1.734 -0.148 -4.935 656 HD12 LEU 87 HD12 LEU 87 -1.260 -1.443 -3.843 657 HD13 LEU 87 HD13 LEU 87 -2.052 -1.830 -5.374 658 HD21 LEU 87 HD21 LEU 87 0.023 -3.375 -5.905 659 HD22 LEU 87 HD22 LEU 87 0.641 -2.899 -4.320 660 HD23 LEU 87 HD23 LEU 87 1.630 -2.659 -5.756 661 H ALA 88 H ALA 88 0.781 -2.372 -9.348 662 HA ALA 88 HA ALA 88 2.644 -4.238 -8.269 663 HB1 ALA 88 HB1 ALA 88 1.215 -4.254 -10.949 664 HB2 ALA 88 HB2 ALA 88 0.604 -4.935 -9.441 665 HB3 ALA 88 HB3 ALA 88 2.029 -5.635 -10.208 666 H ASP 89 H ASP 89 2.793 -1.917 -10.892 667 HA ASP 89 HA ASP 89 5.227 -2.793 -12.098 668 HB2 ASP 89 HB3 ASP 89 3.441 -1.410 -13.198 669 HB3 ASP 89 HB2 ASP 89 3.904 -0.051 -12.185 670 H PHE 90 H PHE 90 4.419 -0.523 -9.518 671 HA PHE 90 HA PHE 90 7.091 0.441 -9.066 672 HB2 PHE 90 HB3 PHE 90 5.213 1.839 -8.388 673 HB3 PHE 90 HB2 PHE 90 4.569 0.569 -7.348 674 HD1 PHE 90 HD1 PHE 90 7.813 2.468 -7.796 675 HD2 PHE 90 HD2 PHE 90 4.945 0.877 -5.050 676 HE1 PHE 90 HE1 PHE 90 9.098 3.370 -5.906 677 HE2 PHE 90 HE2 PHE 90 6.234 1.790 -3.172 678 HZ PHE 90 HZ PHE 90 8.313 3.032 -3.599 679 H ALA 91 H ALA 91 5.074 -2.137 -7.765 680 HA ALA 91 HA ALA 91 6.717 -2.923 -5.586 681 HB1 ALA 91 HB1 ALA 91 4.626 -4.520 -7.112 682 HB2 ALA 91 HB2 ALA 91 4.323 -3.474 -5.725 683 HB3 ALA 91 HB3 ALA 91 5.292 -4.934 -5.528 684 H ALA 92 H ALA 92 6.687 -3.685 -8.997 685 HA ALA 92 HA ALA 92 8.530 -5.896 -8.925 686 HB1 ALA 92 HB1 ALA 92 8.507 -5.692 -11.379 687 HB2 ALA 92 HB2 ALA 92 7.645 -4.154 -11.258 688 HB3 ALA 92 HB3 ALA 92 6.871 -5.647 -10.724 689 H THR 93 H THR 93 8.847 -2.369 -9.288 690 HA THR 93 HA THR 93 11.639 -2.537 -10.170 691 HB THR 93 HB THR 93 10.130 -0.831 -11.201 692 HG1 THR 93 HG1 THR 93 12.218 0.470 -9.773 693 HG21 THR 93 HG21 THR 93 9.565 1.227 -9.985 694 HG22 THR 93 HG22 THR 93 10.253 0.563 -8.503 695 HG23 THR 93 HG23 THR 93 8.815 -0.171 -9.217 696 H LEU 94 H LEU 94 10.112 -2.599 -7.188 697 HA LEU 94 HA LEU 94 11.876 -1.082 -5.572 698 HB2 LEU 94 HB3 LEU 94 10.064 -3.428 -4.961 699 HB3 LEU 94 HB2 LEU 94 11.061 -2.695 -3.712 700 HG LEU 94 HG LEU 94 8.939 -1.217 -5.311 701 HD11 LEU 94 HD11 LEU 94 8.834 -2.263 -2.472 702 HD12 LEU 94 HD12 LEU 94 7.927 -2.880 -3.856 703 HD13 LEU 94 HD13 LEU 94 7.614 -1.254 -3.258 704 HD21 LEU 94 HD21 LEU 94 10.609 -0.317 -2.930 705 HD22 LEU 94 HD22 LEU 94 9.270 0.583 -3.647 706 HD23 LEU 94 HD23 LEU 94 10.725 0.285 -4.588 707 H ARG 95 H ARG 95 13.890 -1.452 -4.957 708 HA ARG 95 HA ARG 95 15.161 -4.089 -5.342 709 HB2 ARG 95 HB3 ARG 95 16.356 -1.332 -4.766 710 HB3 ARG 95 HB2 ARG 95 17.298 -2.810 -4.958 711 HG2 ARG 95 HG3 ARG 95 16.614 -3.014 -7.280 712 HG3 ARG 95 HG2 ARG 95 15.518 -1.640 -7.117 713 HD2 ARG 95 HD3 ARG 95 17.463 -0.155 -6.693 714 HD3 ARG 95 HD2 ARG 95 18.542 -1.537 -6.876 715 HE ARG 95 HE ARG 95 18.384 -1.336 -9.129 716 HH11 ARG 95 HH11 ARG 95 15.607 0.380 -7.795 717 HH12 ARG 95 HH12 ARG 95 15.117 1.002 -9.336 718 HH21 ARG 95 HH21 ARG 95 17.715 -0.498 -11.120 719 HH22 ARG 95 HH22 ARG 95 16.304 0.506 -11.208 720 H LYS 96 H LYS 96 15.745 -5.307 -3.604 721 HA LYS 96 HA LYS 96 14.874 -4.623 -0.966 722 HB2 LYS 96 HB3 LYS 96 14.904 -6.953 -1.784 723 HB3 LYS 96 HB2 LYS 96 16.660 -6.912 -1.926 724 HG2 LYS 96 HG3 LYS 96 16.891 -6.683 0.499 725 HG3 LYS 96 HG2 LYS 96 15.140 -6.586 0.696 726 HD2 LYS 96 HD3 LYS 96 16.675 -9.004 -0.348 727 HD3 LYS 96 HD2 LYS 96 16.004 -8.836 1.274 728 HE2 LYS 96 HE3 LYS 96 13.726 -8.725 0.336 729 HE3 LYS 96 HE2 LYS 96 14.383 -8.868 -1.298 730 HZ1 LYS 96 HZ1 LYS 96 15.248 -11.053 -0.703 731 HZ2 LYS 96 HZ2 LYS 96 13.575 -10.987 -0.479 732 HZ3 LYS 96 HZ3 LYS 96 14.609 -10.899 0.854 733 H THR 97 H THR 97 15.896 -3.138 0.207 734 HA THR 97 HA THR 97 18.574 -2.295 -0.018 735 HB THR 97 HB THR 97 17.056 -2.028 2.612 736 HG1 THR 97 HG1 THR 97 16.318 -0.000 1.147 737 HG21 THR 97 HG21 THR 97 18.026 0.246 2.550 738 HG22 THR 97 HG22 THR 97 18.757 -0.101 0.984 739 HG23 THR 97 HG23 THR 97 19.287 -0.982 2.419 740 H ASP 98 H ASP 98 20.354 -2.752 1.317 741 HA ASP 98 HA ASP 98 20.604 -5.359 2.466 742 HB2 ASP 98 HB3 ASP 98 22.449 -2.943 2.735 743 HB3 ASP 98 HB2 ASP 98 22.880 -4.617 3.079 744 H VAL 99 H VAL 99 21.226 -5.722 4.720 745 HA VAL 99 HA VAL 99 19.371 -4.714 6.592 746 HB VAL 99 HB VAL 99 21.974 -6.193 7.238 747 HG11 VAL 99 HG11 VAL 99 19.350 -6.074 8.782 748 HG12 VAL 99 HG12 VAL 99 20.854 -5.266 9.225 749 HG13 VAL 99 HG13 VAL 99 20.768 -7.027 9.235 750 HG21 VAL 99 HG21 VAL 99 19.281 -7.428 6.517 751 HG22 VAL 99 HG22 VAL 99 20.715 -8.314 7.043 752 HG23 VAL 99 HG23 VAL 99 20.728 -7.447 5.509 753 HA PRO 100 HA PRO 100 21.977 -1.129 7.838 754 HB2 PRO 100 HB3 PRO 100 20.086 0.348 9.068 755 HB3 PRO 100 HB2 PRO 100 20.016 0.080 7.315 756 HG2 PRO 100 HG3 PRO 100 18.427 -1.241 9.482 757 HG3 PRO 100 HG2 PRO 100 17.904 -0.703 7.873 758 HD2 PRO 100 HD3 PRO 100 18.610 -3.340 8.545 759 HD3 PRO 100 HD2 PRO 100 18.499 -2.690 6.897 760 H VAL 101 H VAL 101 21.030 -3.671 9.701 761 HA VAL 101 HA VAL 101 21.982 -2.586 12.282 762 HB VAL 101 HB VAL 101 20.115 -3.792 13.471 763 HG11 VAL 101 HG11 VAL 101 19.920 -1.372 13.128 764 HG12 VAL 101 HG12 VAL 101 18.333 -2.137 13.053 765 HG13 VAL 101 HG13 VAL 101 19.140 -1.632 11.565 766 HG21 VAL 101 HG21 VAL 101 18.090 -4.510 12.230 767 HG22 VAL 101 HG22 VAL 101 19.508 -5.436 11.740 768 HG23 VAL 101 HG23 VAL 101 18.897 -4.150 10.699 769 H GLU 102 H GLU 102 21.917 -4.579 13.909 770 HA GLU 102 HA GLU 102 22.788 -6.468 14.686 771 HB2 GLU 102 HB3 GLU 102 21.001 -7.553 13.391 772 HB3 GLU 102 HB2 GLU 102 22.040 -7.628 11.974 773 HG2 GLU 102 HG3 GLU 102 23.548 -9.185 13.131 774 HG3 GLU 102 HG2 GLU 102 22.571 -9.073 14.593 775 H GLN 103 H GLN 103 23.929 -7.293 11.406 776 HA GLN 103 HA GLN 103 26.581 -6.245 11.815 777 HB2 GLN 103 HB3 GLN 103 26.651 -8.358 13.201 778 HB3 GLN 103 HB2 GLN 103 26.284 -9.281 11.752 779 HG2 GLN 103 HG3 GLN 103 28.674 -9.392 12.267 780 HG3 GLN 103 HG2 GLN 103 28.413 -8.560 10.734 781 HE21 GLN 103 HE21 GLN 103 28.851 -6.312 10.633 782 HE22 GLN 103 HE22 GLN 103 29.801 -5.520 11.834 783 HA PRO 104 HA PRO 104 25.522 -6.740 7.342 784 HB2 PRO 104 HB3 PRO 104 25.282 -4.174 6.656 785 HB3 PRO 104 HB2 PRO 104 24.016 -4.943 7.635 786 HG2 PRO 104 HG3 PRO 104 26.194 -3.079 8.500 787 HG3 PRO 104 HG2 PRO 104 24.496 -3.147 9.022 788 HD2 PRO 104 HD3 PRO 104 26.682 -4.300 10.388 789 HD3 PRO 104 HD2 PRO 104 24.965 -4.664 10.673 790 H PHE 105 H PHE 105 28.167 -6.463 8.899 791 HA PHE 105 HA PHE 105 29.883 -5.510 6.679 792 HB2 PHE 105 HB3 PHE 105 30.569 -5.579 9.657 793 HB3 PHE 105 HB2 PHE 105 31.610 -4.982 8.366 794 HD1 PHE 105 HD1 PHE 105 30.729 -2.954 6.969 795 HD2 PHE 105 HD2 PHE 105 29.114 -4.051 10.781 796 HE1 PHE 105 HE1 PHE 105 29.762 -0.702 7.218 797 HE2 PHE 105 HE2 PHE 105 28.158 -1.797 11.016 798 HZ PHE 105 HZ PHE 105 28.476 -0.124 9.238 799 H VAL 106 H VAL 106 32.219 -6.592 7.284 800 HA VAL 106 HA VAL 106 33.603 -8.368 7.312 801 HB VAL 106 HB VAL 106 31.478 -10.094 8.677 802 HG11 VAL 106 HG11 VAL 106 33.551 -11.270 8.049 803 HG12 VAL 106 HG12 VAL 106 33.394 -11.169 9.800 804 HG13 VAL 106 HG13 VAL 106 34.513 -10.098 8.953 805 HG21 VAL 106 HG21 VAL 106 31.505 -7.972 9.908 806 HG22 VAL 106 HG22 VAL 106 33.259 -8.050 10.067 807 HG23 VAL 106 HG23 VAL 106 32.244 -9.244 10.880 808 H HIS 107 H HIS 107 31.386 -7.968 5.220 809 HA HIS 107 HA HIS 107 31.466 -10.640 3.894 810 HB2 HIS 107 HB3 HIS 107 29.296 -8.492 3.753 811 HB3 HIS 107 HB2 HIS 107 29.314 -9.960 2.776 812 HD1 HIS 107 HD1 HIS 107 27.247 -8.969 5.124 813 HD2 HIS 107 HD2 HIS 107 29.990 -12.080 5.260 814 HE1 HIS 107 HE1 HIS 107 26.365 -10.548 6.850 815 HE2 HIS 107 HE2 HIS 107 27.934 -12.511 6.762 816 H SER 108 H SER 108 31.648 -10.604 1.571 817 HA SER 108 HA SER 108 33.522 -8.758 0.529 818 HB2 SER 108 HB3 SER 108 33.070 -9.980 -1.657 819 HB3 SER 108 HB2 SER 108 33.478 -11.035 -0.305 820 HG SER 108 HG SER 108 30.821 -10.437 -1.095 821 HA PRO 109 HA PRO 109 30.595 -5.427 -0.482 822 HB2 PRO 109 HB3 PRO 109 32.823 -4.368 -2.209 823 HB3 PRO 109 HB2 PRO 109 31.977 -3.592 -0.852 824 HG2 PRO 109 HG3 PRO 109 34.477 -4.454 -0.557 825 HG3 PRO 109 HG2 PRO 109 33.295 -4.638 0.763 826 HD2 PRO 109 HD3 PRO 109 34.247 -6.719 -1.214 827 HD3 PRO 109 HD2 PRO 109 34.003 -6.857 0.544 828 H GLU 110 H GLU 110 29.035 -6.215 -1.750 829 HA GLU 110 HA GLU 110 29.412 -7.475 -4.303 830 HB2 GLU 110 HB3 GLU 110 27.680 -8.227 -2.748 831 HB3 GLU 110 HB2 GLU 110 26.926 -6.637 -2.760 832 HG2 GLU 110 HG3 GLU 110 26.435 -6.987 -5.225 833 HG3 GLU 110 HG2 GLU 110 27.009 -8.644 -5.036 834 H ASP 111 H ASP 111 29.296 -6.577 -6.282 835 HA ASP 111 HA ASP 111 28.028 -3.928 -6.676 836 HB2 ASP 111 HB3 ASP 111 30.612 -4.965 -7.938 837 HB3 ASP 111 HB2 ASP 111 29.743 -3.556 -8.538 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 23.339 -4.846 -30.714 2 H2 GLY 1 H2 GLY 1 24.886 -4.466 -31.268 3 H3 GLY 1 H3 GLY 1 23.689 -3.275 -31.227 4 HA2 GLY 1 HA2 GLY 1 24.882 -4.623 -28.861 5 HA3 GLY 1 HA3 GLY 1 25.249 -2.990 -29.391 6 H THR 2 H THR 2 23.417 -1.440 -29.447 7 HA THR 2 HA THR 2 21.644 -1.706 -27.164 8 HB THR 2 HB THR 2 20.853 0.593 -27.850 9 HG1 THR 2 HG1 THR 2 21.568 0.097 -30.183 10 HG21 THR 2 HG21 THR 2 22.943 1.794 -27.334 11 HG22 THR 2 HG22 THR 2 23.876 0.330 -27.647 12 HG23 THR 2 HG23 THR 2 22.754 0.389 -26.284 13 H ILE 3 H ILE 3 19.339 -1.691 -27.278 14 HA ILE 3 HA ILE 3 18.098 -2.877 -29.613 15 HB ILE 3 HB ILE 3 15.954 -2.719 -28.307 16 HG12 ILE 3 HG13 ILE 3 16.449 -2.183 -25.687 17 HG13 ILE 3 HG12 ILE 3 17.653 -1.110 -26.382 18 HG21 ILE 3 HG21 ILE 3 16.563 -4.397 -26.606 19 HG22 ILE 3 HG22 ILE 3 18.268 -3.986 -26.803 20 HG23 ILE 3 HG23 ILE 3 17.372 -4.703 -28.144 21 HD11 ILE 3 HD11 ILE 3 15.576 0.049 -25.858 22 HD12 ILE 3 HD12 ILE 3 14.682 -1.030 -26.928 23 HD13 ILE 3 HD13 ILE 3 15.884 0.079 -27.596 24 H ASP 4 H ASP 4 16.023 -1.861 -30.479 25 HA ASP 4 HA ASP 4 16.643 0.783 -31.492 26 HB2 ASP 4 HB3 ASP 4 15.705 -0.936 -32.995 27 HB3 ASP 4 HB2 ASP 4 14.258 -1.053 -32.002 28 H TYR 5 H TYR 5 16.315 2.388 -30.079 29 HA TYR 5 HA TYR 5 13.920 2.645 -28.443 30 HB2 TYR 5 HB3 TYR 5 16.159 4.650 -29.007 31 HB3 TYR 5 HB2 TYR 5 14.897 4.844 -27.796 32 HD1 TYR 5 HD1 TYR 5 15.008 3.621 -25.653 33 HD2 TYR 5 HD2 TYR 5 18.020 3.044 -28.633 34 HE1 TYR 5 HE1 TYR 5 16.450 2.521 -23.993 35 HE2 TYR 5 HE2 TYR 5 19.460 1.952 -26.973 36 HH TYR 5 HH TYR 5 18.303 1.058 -23.838 37 H GLN 6 H GLN 6 15.008 3.537 -31.593 38 HA GLN 6 HA GLN 6 13.999 6.057 -32.032 39 HB2 GLN 6 HB3 GLN 6 15.639 4.957 -33.492 40 HB3 GLN 6 HB2 GLN 6 14.411 3.819 -34.048 41 HG2 GLN 6 HG3 GLN 6 13.158 5.655 -35.103 42 HG3 GLN 6 HG2 GLN 6 14.338 6.823 -34.513 43 HE21 GLN 6 HE21 GLN 6 13.760 4.233 -36.801 44 HE22 GLN 6 HE22 GLN 6 15.113 4.572 -37.818 45 H ALA 7 H ALA 7 12.383 2.971 -32.866 46 HA ALA 7 HA ALA 7 10.122 4.085 -34.133 47 HB1 ALA 7 HB1 ALA 7 9.107 1.862 -33.904 48 HB2 ALA 7 HB2 ALA 7 10.355 1.400 -32.740 49 HB3 ALA 7 HB3 ALA 7 10.789 1.741 -34.414 50 H LEU 8 H LEU 8 10.826 3.474 -30.758 51 HA LEU 8 HA LEU 8 9.884 3.968 -28.796 52 HB2 LEU 8 HB3 LEU 8 10.003 6.255 -29.883 53 HB3 LEU 8 HB2 LEU 8 8.314 6.100 -30.310 54 HG LEU 8 HG LEU 8 8.887 7.555 -28.266 55 HD11 LEU 8 HD11 LEU 8 6.584 6.824 -28.696 56 HD12 LEU 8 HD12 LEU 8 6.927 6.943 -26.972 57 HD13 LEU 8 HD13 LEU 8 6.861 5.358 -27.754 58 HD21 LEU 8 HD21 LEU 8 9.277 6.457 -26.110 59 HD22 LEU 8 HD22 LEU 8 10.572 6.083 -27.244 60 HD23 LEU 8 HD23 LEU 8 9.330 4.876 -26.898 61 H LYS 9 H LYS 9 8.894 2.003 -28.534 62 HA LYS 9 HA LYS 9 6.164 1.574 -29.561 63 HB2 LYS 9 HB3 LYS 9 8.221 -0.405 -28.497 64 HB3 LYS 9 HB2 LYS 9 6.610 -0.839 -29.066 65 HG2 LYS 9 HG3 LYS 9 7.188 0.006 -31.330 66 HG3 LYS 9 HG2 LYS 9 8.809 0.408 -30.758 67 HD2 LYS 9 HD3 LYS 9 7.606 -2.390 -30.837 68 HD3 LYS 9 HD2 LYS 9 8.763 -1.742 -32.001 69 HE2 LYS 9 HE3 LYS 9 10.445 -1.524 -30.205 70 HE3 LYS 9 HE2 LYS 9 9.284 -2.163 -29.037 71 HZ1 LYS 9 HZ1 LYS 9 9.226 -4.237 -30.277 72 HZ2 LYS 9 HZ2 LYS 9 10.808 -3.874 -29.814 73 HZ3 LYS 9 HZ3 LYS 9 10.319 -3.624 -31.409 74 H ARG 10 H ARG 10 5.830 3.263 -27.667 75 HA ARG 10 HA ARG 10 4.416 1.650 -25.677 76 HB2 ARG 10 HB3 ARG 10 4.930 3.259 -23.843 77 HB3 ARG 10 HB2 ARG 10 6.338 2.364 -24.392 78 HG2 ARG 10 HG3 ARG 10 7.232 4.292 -25.521 79 HG3 ARG 10 HG2 ARG 10 5.740 5.204 -25.273 80 HD2 ARG 10 HD3 ARG 10 7.680 4.293 -23.120 81 HD3 ARG 10 HD2 ARG 10 7.436 5.948 -23.680 82 HE ARG 10 HE ARG 10 5.591 4.356 -22.023 83 HH11 ARG 10 HH11 ARG 10 6.326 7.456 -23.509 84 HH12 ARG 10 HH12 ARG 10 5.137 8.320 -22.583 85 HH21 ARG 10 HH21 ARG 10 4.014 5.476 -20.846 86 HH22 ARG 10 HH22 ARG 10 3.826 7.188 -21.069 87 H ARG 11 H ARG 11 2.479 1.964 -26.367 88 HA ARG 11 HA ARG 11 1.220 4.593 -26.340 89 HB2 ARG 11 HB3 ARG 11 0.102 4.231 -28.536 90 HB3 ARG 11 HB2 ARG 11 1.844 4.391 -28.710 91 HG2 ARG 11 HG3 ARG 11 2.017 1.900 -28.893 92 HG3 ARG 11 HG2 ARG 11 0.256 1.805 -28.813 93 HD2 ARG 11 HD3 ARG 11 0.065 3.081 -30.898 94 HD3 ARG 11 HD2 ARG 11 1.822 3.287 -30.958 95 HE ARG 11 HE ARG 11 0.922 0.534 -30.867 96 HH11 ARG 11 HH11 ARG 11 1.794 3.209 -33.003 97 HH12 ARG 11 HH12 ARG 11 2.125 2.170 -34.355 98 HH21 ARG 11 HH21 ARG 11 1.358 -0.795 -32.628 99 HH22 ARG 11 HH22 ARG 11 1.876 -0.105 -34.140 100 H HIS 12 H HIS 12 -1.249 4.239 -26.651 101 HA HIS 12 HA HIS 12 -3.150 3.473 -25.667 102 HB2 HIS 12 HB3 HIS 12 -1.916 0.684 -25.924 103 HB3 HIS 12 HB2 HIS 12 -3.627 1.059 -25.761 104 HD1 HIS 12 HD1 HIS 12 -1.667 -0.243 -28.213 105 HD2 HIS 12 HD2 HIS 12 -4.093 3.133 -28.182 106 HE1 HIS 12 HE1 HIS 12 -2.181 0.246 -30.622 107 HE2 HIS 12 HE2 HIS 12 -3.665 2.275 -30.574 108 H THR 13 H THR 13 -3.486 1.303 -23.697 109 HA THR 13 HA THR 13 -1.507 2.021 -21.601 110 HB THR 13 HB THR 13 -3.698 2.537 -20.776 111 HG1 THR 13 HG1 THR 13 -2.285 1.427 -19.313 112 HG21 THR 13 HG21 THR 13 -4.608 -0.282 -21.464 113 HG22 THR 13 HG22 THR 13 -5.125 1.200 -22.271 114 HG23 THR 13 HG23 THR 13 -5.551 0.924 -20.582 115 HA PRO 14 HA PRO 14 -0.120 -2.194 -22.902 116 HB2 PRO 14 HB3 PRO 14 2.528 -1.326 -21.854 117 HB3 PRO 14 HB2 PRO 14 2.082 -1.857 -23.488 118 HG2 PRO 14 HG3 PRO 14 2.719 0.709 -22.957 119 HG3 PRO 14 HG2 PRO 14 1.514 0.269 -24.191 120 HD2 PRO 14 HD3 PRO 14 1.056 1.223 -21.361 121 HD3 PRO 14 HD2 PRO 14 0.237 1.714 -22.864 122 H GLU 15 H GLU 15 -0.351 -0.611 -19.919 123 HA GLU 15 HA GLU 15 0.831 -2.464 -18.152 124 HB2 GLU 15 HB3 GLU 15 -1.379 -0.412 -17.708 125 HB3 GLU 15 HB2 GLU 15 -0.651 -1.345 -16.409 126 HG2 GLU 15 HG3 GLU 15 0.341 0.831 -16.391 127 HG3 GLU 15 HG2 GLU 15 1.566 -0.293 -16.974 128 H ALA 16 H ALA 16 -2.679 -1.913 -18.718 129 HA ALA 16 HA ALA 16 -3.267 -4.718 -19.080 130 HB1 ALA 16 HB1 ALA 16 -4.238 -3.389 -16.519 131 HB2 ALA 16 HB2 ALA 16 -3.001 -4.642 -16.609 132 HB3 ALA 16 HB3 ALA 16 -4.663 -5.015 -17.071 133 H GLU 17 H GLU 17 -6.018 -4.570 -18.306 134 HA GLU 17 HA GLU 17 -7.109 -3.154 -20.564 135 HB2 GLU 17 HB3 GLU 17 -8.467 -4.802 -18.389 136 HB3 GLU 17 HB2 GLU 17 -9.234 -4.250 -19.873 137 HG2 GLU 17 HG3 GLU 17 -6.838 -6.105 -19.813 138 HG3 GLU 17 HG2 GLU 17 -8.502 -6.671 -19.841 139 H ASN 18 H ASN 18 -8.368 -3.242 -17.220 140 HA ASN 18 HA ASN 18 -8.933 -0.341 -17.316 141 HB2 ASN 18 HB3 ASN 18 -10.926 -2.559 -16.627 142 HB3 ASN 18 HB2 ASN 18 -11.210 -0.851 -16.320 143 HD21 ASN 18 HD21 ASN 18 -13.049 -0.803 -17.600 144 HD22 ASN 18 HD22 ASN 18 -13.006 -0.912 -19.324 145 HA PRO 19 HA PRO 19 -7.804 -0.605 -12.857 146 HB2 PRO 19 HB3 PRO 19 -9.574 1.810 -12.544 147 HB3 PRO 19 HB2 PRO 19 -7.860 1.609 -12.118 148 HG2 PRO 19 HG3 PRO 19 -8.578 3.104 -14.214 149 HG3 PRO 19 HG2 PRO 19 -7.117 2.087 -14.278 150 HD2 PRO 19 HD3 PRO 19 -9.848 1.544 -15.443 151 HD3 PRO 19 HD2 PRO 19 -8.244 1.301 -16.175 152 H ALA 20 H ALA 20 -8.791 -1.652 -11.213 153 HA ALA 20 HA ALA 20 -10.288 -2.654 -9.869 154 HB1 ALA 20 HB1 ALA 20 -12.399 -0.843 -11.090 155 HB2 ALA 20 HB2 ALA 20 -11.409 -0.460 -9.680 156 HB3 ALA 20 HB3 ALA 20 -12.569 -1.787 -9.608 157 H GLU 21 H GLU 21 -9.724 -3.517 -12.709 158 HA GLU 21 HA GLU 21 -12.091 -5.008 -13.538 159 HB2 GLU 21 HB3 GLU 21 -10.500 -3.932 -15.181 160 HB3 GLU 21 HB2 GLU 21 -9.252 -5.056 -14.666 161 HG2 GLU 21 HG3 GLU 21 -10.209 -5.795 -16.769 162 HG3 GLU 21 HG2 GLU 21 -10.615 -6.944 -15.495 163 H ALA 22 H ALA 22 -8.703 -5.971 -12.871 164 HA ALA 22 HA ALA 22 -9.424 -8.264 -11.225 165 HB1 ALA 22 HB1 ALA 22 -8.435 -9.968 -12.731 166 HB2 ALA 22 HB2 ALA 22 -8.169 -8.735 -13.966 167 HB3 ALA 22 HB3 ALA 22 -9.813 -9.180 -13.504 168 H ASP 23 H ASP 23 -7.850 -5.829 -11.094 169 HA ASP 23 HA ASP 23 -5.020 -6.568 -11.443 170 HB2 ASP 23 HB3 ASP 23 -4.642 -4.069 -11.461 171 HB3 ASP 23 HB2 ASP 23 -5.614 -4.670 -12.790 172 H LEU 24 H LEU 24 -6.765 -7.148 -9.070 173 HA LEU 24 HA LEU 24 -6.073 -5.506 -6.884 174 HB2 LEU 24 HB3 LEU 24 -7.045 -8.373 -7.091 175 HB3 LEU 24 HB2 LEU 24 -6.648 -7.663 -5.535 176 HG LEU 24 HG LEU 24 -8.365 -5.880 -5.940 177 HD11 LEU 24 HD11 LEU 24 -9.167 -7.497 -8.369 178 HD12 LEU 24 HD12 LEU 24 -8.428 -5.894 -8.374 179 HD13 LEU 24 HD13 LEU 24 -10.037 -6.115 -7.695 180 HD21 LEU 24 HD21 LEU 24 -9.436 -8.722 -5.968 181 HD22 LEU 24 HD22 LEU 24 -10.325 -7.285 -5.454 182 HD23 LEU 24 HD23 LEU 24 -8.908 -7.811 -4.550 183 HA PRO 25 HA PRO 25 -1.773 -6.408 -6.186 184 HB2 PRO 25 HB3 PRO 25 -2.346 -6.361 -3.222 185 HB3 PRO 25 HB2 PRO 25 -1.220 -5.362 -4.167 186 HG2 PRO 25 HG3 PRO 25 -3.481 -4.300 -3.265 187 HG3 PRO 25 HG2 PRO 25 -2.899 -3.902 -4.899 188 HD2 PRO 25 HD3 PRO 25 -5.074 -5.845 -4.098 189 HD3 PRO 25 HD2 PRO 25 -5.061 -4.645 -5.415 190 H GLN 26 H GLN 26 -0.928 -8.378 -6.510 191 HA GLN 26 HA GLN 26 -1.758 -10.710 -4.876 192 HB2 GLN 26 HB3 GLN 26 -1.543 -10.602 -7.926 193 HB3 GLN 26 HB2 GLN 26 -1.725 -12.089 -6.999 194 HG2 GLN 26 HG3 GLN 26 -3.933 -11.496 -6.299 195 HG3 GLN 26 HG2 GLN 26 -3.748 -9.846 -6.889 196 HE21 GLN 26 HE21 GLN 26 -3.971 -9.425 -9.098 197 HE22 GLN 26 HE22 GLN 26 -4.633 -10.581 -10.201 198 H GLY 27 H GLY 27 0.167 -10.457 -3.761 199 HA2 GLY 27 HA3 GLY 27 2.415 -11.865 -4.297 200 HA3 GLY 27 HA2 GLY 27 2.764 -10.300 -5.045 201 H ASP 28 H ASP 28 4.156 -11.415 -2.809 202 HA ASP 28 HA ASP 28 3.286 -10.560 -0.282 203 HB2 ASP 28 HB3 ASP 28 5.107 -12.183 -0.587 204 HB3 ASP 28 HB2 ASP 28 6.118 -10.960 -1.341 205 H ILE 29 H ILE 29 5.321 -8.920 -2.689 206 HA ILE 29 HA ILE 29 5.879 -6.638 -1.037 207 HB ILE 29 HB ILE 29 6.265 -6.844 -4.058 208 HG12 ILE 29 HG13 ILE 29 7.428 -8.725 -2.971 209 HG13 ILE 29 HG12 ILE 29 8.601 -7.560 -3.567 210 HG21 ILE 29 HG21 ILE 29 8.015 -5.122 -3.712 211 HG22 ILE 29 HG22 ILE 29 7.610 -5.056 -1.995 212 HG23 ILE 29 HG23 ILE 29 6.427 -4.544 -3.200 213 HD11 ILE 29 HD11 ILE 29 7.734 -7.890 -0.684 214 HD12 ILE 29 HD12 ILE 29 8.911 -6.711 -1.273 215 HD13 ILE 29 HD13 ILE 29 9.249 -8.435 -1.400 216 H GLU 30 H GLU 30 3.654 -7.296 -3.767 217 HA GLU 30 HA GLU 30 2.565 -4.713 -4.046 218 HB2 GLU 30 HB3 GLU 30 1.315 -7.434 -4.594 219 HB3 GLU 30 HB2 GLU 30 0.553 -5.911 -5.041 220 HG2 GLU 30 HG3 GLU 30 1.551 -6.633 -7.019 221 HG3 GLU 30 HG2 GLU 30 2.679 -5.431 -6.409 222 H LYS 31 H LYS 31 1.744 -7.348 -1.897 223 HA LYS 31 HA LYS 31 -0.598 -6.314 -0.665 224 HB2 LYS 31 HB3 LYS 31 -0.106 -8.659 -0.537 225 HB3 LYS 31 HB2 LYS 31 1.505 -8.387 0.086 226 HG2 LYS 31 HG3 LYS 31 -0.827 -7.572 1.808 227 HG3 LYS 31 HG2 LYS 31 -0.482 -9.293 1.624 228 HD2 LYS 31 HD3 LYS 31 1.901 -8.804 2.361 229 HD3 LYS 31 HD2 LYS 31 1.386 -7.154 2.721 230 HE2 LYS 31 HE3 LYS 31 0.342 -9.694 4.014 231 HE3 LYS 31 HE2 LYS 31 1.386 -8.486 4.765 232 HZ1 LYS 31 HZ1 LYS 31 -1.432 -8.164 3.925 233 HZ2 LYS 31 HZ2 LYS 31 -0.458 -6.870 4.398 234 HZ3 LYS 31 HZ3 LYS 31 -0.812 -8.103 5.495 235 H GLN 32 H GLN 32 2.836 -6.150 0.134 236 HA GLN 32 HA GLN 32 2.665 -4.784 2.604 237 HB2 GLN 32 HB3 GLN 32 4.616 -6.126 1.807 238 HB3 GLN 32 HB2 GLN 32 4.961 -4.895 0.598 239 HG2 GLN 32 HG3 GLN 32 5.373 -3.263 2.430 240 HG3 GLN 32 HG2 GLN 32 5.075 -4.546 3.603 241 HE21 GLN 32 HE21 GLN 32 7.122 -4.530 4.490 242 HE22 GLN 32 HE22 GLN 32 8.545 -5.017 3.636 243 H VAL 33 H VAL 33 3.099 -3.663 -0.725 244 HA VAL 33 HA VAL 33 3.503 -0.883 -0.091 245 HB VAL 33 HB VAL 33 2.998 -2.302 -2.758 246 HG11 VAL 33 HG11 VAL 33 3.944 0.553 -2.309 247 HG12 VAL 33 HG12 VAL 33 2.388 0.061 -2.985 248 HG13 VAL 33 HG13 VAL 33 3.877 -0.277 -3.868 249 HG21 VAL 33 HG21 VAL 33 5.093 -3.004 -1.660 250 HG22 VAL 33 HG22 VAL 33 5.613 -1.323 -1.549 251 HG23 VAL 33 HG23 VAL 33 5.421 -2.085 -3.129 252 H ALA 34 H ALA 34 0.756 -2.942 -0.949 253 HA ALA 34 HA ALA 34 -1.110 -0.978 -1.742 254 HB1 ALA 34 HB1 ALA 34 -1.657 -3.660 -0.429 255 HB2 ALA 34 HB2 ALA 34 -1.448 -3.372 -2.157 256 HB3 ALA 34 HB3 ALA 34 -2.833 -2.677 -1.314 257 H ALA 35 H ALA 35 -0.583 -2.497 1.446 258 HA ALA 35 HA ALA 35 -2.587 -1.137 2.886 259 HB1 ALA 35 HB1 ALA 35 -1.474 -3.169 3.714 260 HB2 ALA 35 HB2 ALA 35 -1.395 -1.868 4.907 261 HB3 ALA 35 HB3 ALA 35 0.025 -2.266 3.935 262 H LEU 36 H LEU 36 0.676 -0.195 2.017 263 HA LEU 36 HA LEU 36 0.892 2.107 3.685 264 HB2 LEU 36 HB3 LEU 36 2.317 1.409 1.087 265 HB3 LEU 36 HB2 LEU 36 2.761 2.745 2.139 266 HG LEU 36 HG LEU 36 2.889 -0.202 2.893 267 HD11 LEU 36 HD11 LEU 36 4.600 0.372 1.251 268 HD12 LEU 36 HD12 LEU 36 5.330 0.060 2.823 269 HD13 LEU 36 HD13 LEU 36 5.147 1.720 2.251 270 HD21 LEU 36 HD21 LEU 36 4.049 0.547 4.934 271 HD22 LEU 36 HD22 LEU 36 2.400 1.161 4.857 272 HD23 LEU 36 HD23 LEU 36 3.759 2.229 4.491 273 H TRP 37 H TRP 37 0.088 1.733 0.193 274 HA TRP 37 HA TRP 37 -0.404 4.447 -0.382 275 HB2 TRP 37 HB3 TRP 37 -1.419 1.909 -1.710 276 HB3 TRP 37 HB2 TRP 37 -1.827 3.504 -2.330 277 HD1 TRP 37 HD1 TRP 37 1.737 2.686 -1.097 278 HE1 TRP 37 HE1 TRP 37 3.322 2.768 -3.111 279 HE3 TRP 37 HE3 TRP 37 -1.696 3.274 -4.840 280 HZ2 TRP 37 HZ2 TRP 37 3.177 3.024 -5.895 281 HZ3 TRP 37 HZ3 TRP 37 -0.883 3.427 -7.157 282 HH2 TRP 37 HH2 TRP 37 1.505 3.304 -7.676 283 H GLN 38 H GLN 38 -2.535 2.011 1.008 284 HA GLN 38 HA GLN 38 -4.994 3.407 0.648 285 HB2 GLN 38 HB3 GLN 38 -4.227 1.114 2.485 286 HB3 GLN 38 HB2 GLN 38 -5.870 1.754 2.402 287 HG2 GLN 38 HG3 GLN 38 -6.007 1.199 0.033 288 HG3 GLN 38 HG2 GLN 38 -4.330 0.665 0.042 289 HE21 GLN 38 HE21 GLN 38 -4.852 -1.383 -0.710 290 HE22 GLN 38 HE22 GLN 38 -5.693 -2.553 0.240 291 H GLN 39 H GLN 39 -2.564 3.531 3.164 292 HA GLN 39 HA GLN 39 -4.271 5.168 4.911 293 HB2 GLN 39 HB3 GLN 39 -1.448 4.105 5.377 294 HB3 GLN 39 HB2 GLN 39 -2.446 4.943 6.569 295 HG2 GLN 39 HG3 GLN 39 -3.044 2.261 5.283 296 HG3 GLN 39 HG2 GLN 39 -2.552 2.535 6.952 297 HE21 GLN 39 HE21 GLN 39 -5.054 1.359 5.632 298 HE22 GLN 39 HE22 GLN 39 -6.358 2.168 6.420 299 H LEU 40 H LEU 40 -1.089 5.414 3.293 300 HA LEU 40 HA LEU 40 -0.447 8.046 3.874 301 HB2 LEU 40 HB3 LEU 40 0.327 6.137 1.668 302 HB3 LEU 40 HB2 LEU 40 0.840 7.807 1.539 303 HG LEU 40 HG LEU 40 2.605 6.365 2.471 304 HD11 LEU 40 HD11 LEU 40 3.256 7.765 4.373 305 HD12 LEU 40 HD12 LEU 40 1.615 8.409 4.477 306 HD13 LEU 40 HD13 LEU 40 2.604 8.737 3.053 307 HD21 LEU 40 HD21 LEU 40 0.775 5.879 4.843 308 HD22 LEU 40 HD22 LEU 40 2.479 5.423 4.745 309 HD23 LEU 40 HD23 LEU 40 1.307 4.682 3.661 310 H LEU 41 H LEU 41 -2.519 6.814 1.253 311 HA LEU 41 HA LEU 41 -3.005 9.553 0.251 312 HB2 LEU 41 HB3 LEU 41 -3.944 6.901 -0.910 313 HB3 LEU 41 HB2 LEU 41 -4.130 8.479 -1.661 314 HG LEU 41 HG LEU 41 -1.500 7.065 -1.151 315 HD11 LEU 41 HD11 LEU 41 -1.348 6.779 -3.574 316 HD12 LEU 41 HD12 LEU 41 -2.944 7.505 -3.768 317 HD13 LEU 41 HD13 LEU 41 -2.772 5.970 -2.916 318 HD21 LEU 41 HD21 LEU 41 -1.196 9.474 -0.993 319 HD22 LEU 41 HD22 LEU 41 -2.038 9.717 -2.525 320 HD23 LEU 41 HD23 LEU 41 -0.482 8.886 -2.494 321 H SER 42 H SER 42 -4.369 7.257 2.328 322 HA SER 42 HA SER 42 -6.296 6.985 3.439 323 HB2 SER 42 HB3 SER 42 -6.893 9.859 2.611 324 HB3 SER 42 HB2 SER 42 -7.724 8.967 3.890 325 HG SER 42 HG SER 42 -4.928 9.228 3.934 326 H THR 43 H THR 43 -6.358 5.673 1.240 327 HA THR 43 HA THR 43 -8.867 6.189 -0.241 328 HB THR 43 HB THR 43 -8.080 4.588 -1.902 329 HG1 THR 43 HG1 THR 43 -6.609 3.641 0.162 330 HG21 THR 43 HG21 THR 43 -5.702 6.292 -1.059 331 HG22 THR 43 HG22 THR 43 -7.007 6.809 -2.132 332 HG23 THR 43 HG23 THR 43 -5.904 5.525 -2.633 333 H GLY 44 H GLY 44 -10.375 4.392 -0.536 334 HA2 GLY 44 HA3 GLY 44 -10.887 2.722 1.705 335 HA3 GLY 44 HA2 GLY 44 -11.628 2.575 0.116 336 H ASN 45 H ASN 45 -9.819 1.889 -1.591 337 HA ASN 45 HA ASN 45 -7.909 -0.076 -0.608 338 HB2 ASN 45 HB3 ASN 45 -10.026 -1.407 -0.855 339 HB3 ASN 45 HB2 ASN 45 -10.147 -0.903 -2.537 340 HD21 ASN 45 HD21 ASN 45 -9.947 -2.955 -3.441 341 HD22 ASN 45 HD22 ASN 45 -8.530 -3.932 -3.312 342 H VAL 46 H VAL 46 -6.259 -0.444 -2.071 343 HA VAL 46 HA VAL 46 -6.300 1.028 -4.651 344 HB VAL 46 HB VAL 46 -3.800 1.198 -4.457 345 HG11 VAL 46 HG11 VAL 46 -5.193 3.122 -3.836 346 HG12 VAL 46 HG12 VAL 46 -3.740 3.051 -2.840 347 HG13 VAL 46 HG13 VAL 46 -5.292 2.537 -2.172 348 HG21 VAL 46 HG21 VAL 46 -2.715 0.827 -2.257 349 HG22 VAL 46 HG22 VAL 46 -3.378 -0.661 -2.928 350 HG23 VAL 46 HG23 VAL 46 -4.227 0.172 -1.630 351 H THR 47 H THR 47 -5.442 0.016 -6.395 352 HA THR 47 HA THR 47 -4.719 -2.855 -6.311 353 HB THR 47 HB THR 47 -6.008 -3.008 -8.517 354 HG1 THR 47 HG1 THR 47 -7.043 -1.292 -9.237 355 HG21 THR 47 HG21 THR 47 -8.223 -3.244 -7.464 356 HG22 THR 47 HG22 THR 47 -7.666 -2.334 -6.056 357 HG23 THR 47 HG23 THR 47 -6.970 -3.915 -6.425 358 H ARG 48 H ARG 48 -4.163 -3.121 -9.043 359 HA ARG 48 HA ARG 48 -1.495 -2.074 -9.044 360 HB2 ARG 48 HB3 ARG 48 -1.879 -4.314 -9.922 361 HB3 ARG 48 HB2 ARG 48 -3.014 -3.703 -11.120 362 HG2 ARG 48 HG3 ARG 48 -1.156 -2.481 -12.236 363 HG3 ARG 48 HG2 ARG 48 -0.029 -3.135 -11.049 364 HD2 ARG 48 HD3 ARG 48 -0.436 -5.405 -11.862 365 HD3 ARG 48 HD2 ARG 48 -1.682 -4.817 -12.966 366 HE ARG 48 HE ARG 48 1.162 -4.037 -13.171 367 HH11 ARG 48 HH11 ARG 48 -1.796 -5.088 -14.708 368 HH12 ARG 48 HH12 ARG 48 -1.148 -4.988 -16.319 369 HH21 ARG 48 HH21 ARG 48 1.986 -3.760 -15.282 370 HH22 ARG 48 HH22 ARG 48 1.011 -4.233 -16.648 371 H GLU 49 H GLU 49 -4.364 -1.570 -11.148 372 HA GLU 49 HA GLU 49 -3.040 0.432 -12.759 373 HB2 GLU 49 HB3 GLU 49 -6.016 -0.174 -12.666 374 HB3 GLU 49 HB2 GLU 49 -5.149 0.661 -13.947 375 HG2 GLU 49 HG3 GLU 49 -4.964 -2.268 -13.220 376 HG3 GLU 49 HG2 GLU 49 -5.707 -1.581 -14.658 377 H THR 50 H THR 50 -4.357 0.534 -9.687 378 HA THR 50 HA THR 50 -5.110 3.291 -9.564 379 HB THR 50 HB THR 50 -4.077 1.437 -7.367 380 HG1 THR 50 HG1 THR 50 -6.131 0.922 -8.395 381 HG21 THR 50 HG21 THR 50 -5.028 3.062 -5.755 382 HG22 THR 50 HG22 THR 50 -5.428 4.153 -7.080 383 HG23 THR 50 HG23 THR 50 -3.740 3.804 -6.708 384 H ASP 51 H ASP 51 -3.802 5.003 -9.698 385 HA ASP 51 HA ASP 51 -0.864 4.676 -9.614 386 HB2 ASP 51 HB3 ASP 51 -2.432 6.978 -10.854 387 HB3 ASP 51 HB2 ASP 51 -0.718 6.631 -11.049 388 H PHE 52 H PHE 52 0.266 5.707 -8.088 389 HA PHE 52 HA PHE 52 -0.816 6.717 -5.761 390 HB2 PHE 52 HB3 PHE 52 1.576 5.943 -6.123 391 HB3 PHE 52 HB2 PHE 52 1.918 7.485 -6.894 392 HD1 PHE 52 HD1 PHE 52 2.095 9.548 -5.545 393 HD2 PHE 52 HD2 PHE 52 1.245 5.777 -3.724 394 HE1 PHE 52 HE1 PHE 52 2.595 10.497 -3.337 395 HE2 PHE 52 HE2 PHE 52 1.741 6.730 -1.522 396 HZ PHE 52 HZ PHE 52 2.408 9.090 -1.324 397 H PHE 53 H PHE 53 0.255 8.459 -8.618 398 HA PHE 53 HA PHE 53 -0.074 11.086 -7.530 399 HB2 PHE 53 HB3 PHE 53 0.466 10.188 -10.383 400 HB3 PHE 53 HB2 PHE 53 0.553 11.855 -9.809 401 HD1 PHE 53 HD1 PHE 53 2.286 12.471 -8.045 402 HD2 PHE 53 HD2 PHE 53 2.322 8.688 -10.044 403 HE1 PHE 53 HE1 PHE 53 4.611 12.105 -7.326 404 HE2 PHE 53 HE2 PHE 53 4.639 8.345 -9.323 405 HZ PHE 53 HZ PHE 53 5.785 10.036 -7.965 406 H GLN 54 H GLN 54 -2.031 8.970 -9.539 407 HA GLN 54 HA GLN 54 -3.941 11.008 -10.298 408 HB2 GLN 54 HB3 GLN 54 -3.415 8.949 -11.679 409 HB3 GLN 54 HB2 GLN 54 -4.263 7.980 -10.482 410 HG2 GLN 54 HG3 GLN 54 -6.368 9.002 -11.020 411 HG3 GLN 54 HG2 GLN 54 -5.595 10.247 -12.000 412 HE21 GLN 54 HE21 GLN 54 -6.671 6.929 -11.913 413 HE22 GLN 54 HE22 GLN 54 -6.448 6.601 -13.594 414 H GLN 55 H GLN 55 -3.396 9.214 -7.477 415 HA GLN 55 HA GLN 55 -6.162 9.482 -6.472 416 HB2 GLN 55 HB3 GLN 55 -3.762 8.032 -5.281 417 HB3 GLN 55 HB2 GLN 55 -5.391 8.020 -4.620 418 HG2 GLN 55 HG3 GLN 55 -4.570 6.880 -7.298 419 HG3 GLN 55 HG2 GLN 55 -4.852 5.952 -5.830 420 HE21 GLN 55 HE21 GLN 55 -6.347 7.736 -8.434 421 HE22 GLN 55 HE22 GLN 55 -7.962 7.206 -8.129 422 H GLY 56 H GLY 56 -3.998 11.668 -6.828 423 HA2 GLY 56 HA3 GLY 56 -4.165 13.795 -5.872 424 HA3 GLY 56 HA2 GLY 56 -4.803 13.094 -4.396 425 H GLY 57 H GLY 57 -2.332 11.144 -4.727 426 HA2 GLY 57 HA3 GLY 57 -0.570 12.517 -2.933 427 HA3 GLY 57 HA2 GLY 57 -0.283 10.962 -3.703 428 H ASP 58 H ASP 58 1.449 13.447 -3.338 429 HA ASP 58 HA ASP 58 2.133 13.974 -6.192 430 HB2 ASP 58 HB3 ASP 58 2.859 16.181 -5.555 431 HB3 ASP 58 HB2 ASP 58 1.294 15.950 -4.779 432 H SER 59 H SER 59 4.630 15.044 -5.880 433 HA SER 59 HA SER 59 6.275 12.757 -5.676 434 HB2 SER 59 HB3 SER 59 8.148 14.435 -6.061 435 HB3 SER 59 HB2 SER 59 6.838 14.501 -7.241 436 HG SER 59 HG SER 59 7.659 16.394 -5.442 437 H LEU 60 H LEU 60 5.548 15.332 -3.371 438 HA LEU 60 HA LEU 60 7.733 14.773 -1.571 439 HB2 LEU 60 HB3 LEU 60 6.507 17.007 -1.884 440 HB3 LEU 60 HB2 LEU 60 5.186 16.338 -0.960 441 HG LEU 60 HG LEU 60 6.731 17.904 0.304 442 HD11 LEU 60 HD11 LEU 60 6.811 16.639 2.387 443 HD12 LEU 60 HD12 LEU 60 6.546 15.131 1.510 444 HD13 LEU 60 HD13 LEU 60 5.284 16.363 1.545 445 HD21 LEU 60 HD21 LEU 60 8.744 15.639 0.093 446 HD22 LEU 60 HD22 LEU 60 8.927 17.110 1.054 447 HD23 LEU 60 HD23 LEU 60 8.860 17.210 -0.704 448 H LEU 61 H LEU 61 4.215 14.094 -1.568 449 HA LEU 61 HA LEU 61 4.110 12.474 0.758 450 HB2 LEU 61 HB3 LEU 61 2.216 13.523 -0.868 451 HB3 LEU 61 HB2 LEU 61 2.243 11.915 -1.559 452 HG LEU 61 HG LEU 61 1.609 12.570 1.354 453 HD11 LEU 61 HD11 LEU 61 -0.286 11.806 -0.890 454 HD12 LEU 61 HD12 LEU 61 -0.144 13.392 -0.130 455 HD13 LEU 61 HD13 LEU 61 -0.725 12.019 0.808 456 HD21 LEU 61 HD21 LEU 61 1.374 9.902 -0.076 457 HD22 LEU 61 HD22 LEU 61 0.858 10.245 1.577 458 HD23 LEU 61 HD23 LEU 61 2.567 10.320 1.154 459 H ALA 62 H ALA 62 4.998 11.836 -2.566 460 HA ALA 62 HA ALA 62 5.089 8.997 -2.530 461 HB1 ALA 62 HB1 ALA 62 4.946 10.295 -4.592 462 HB2 ALA 62 HB2 ALA 62 6.382 9.274 -4.617 463 HB3 ALA 62 HB3 ALA 62 6.530 11.001 -4.288 464 H THR 63 H THR 63 7.495 11.516 -1.785 465 HA THR 63 HA THR 63 9.725 9.775 -1.387 466 HB THR 63 HB THR 63 9.253 12.596 -0.312 467 HG1 THR 63 HG1 THR 63 9.443 13.017 -2.374 468 HG21 THR 63 HG21 THR 63 11.887 11.095 -0.667 469 HG22 THR 63 HG22 THR 63 11.139 11.478 0.886 470 HG23 THR 63 HG23 THR 63 11.714 12.777 -0.160 471 H ARG 64 H ARG 64 7.064 10.774 0.655 472 HA ARG 64 HA ARG 64 8.055 9.688 3.128 473 HB2 ARG 64 HB3 ARG 64 5.192 10.244 2.248 474 HB3 ARG 64 HB2 ARG 64 5.700 9.893 3.898 475 HG2 ARG 64 HG3 ARG 64 6.976 11.988 3.984 476 HG3 ARG 64 HG2 ARG 64 6.565 12.334 2.300 477 HD2 ARG 64 HD3 ARG 64 4.169 12.445 2.913 478 HD3 ARG 64 HD2 ARG 64 4.584 12.095 4.594 479 HE ARG 64 HE ARG 64 6.048 14.310 4.054 480 HH11 ARG 64 HH11 ARG 64 2.619 13.575 3.710 481 HH12 ARG 64 HH12 ARG 64 2.117 15.219 3.964 482 HH21 ARG 64 HH21 ARG 64 5.378 16.472 4.375 483 HH22 ARG 64 HH22 ARG 64 3.685 16.865 4.344 484 H LEU 65 H LEU 65 6.155 8.475 0.404 485 HA LEU 65 HA LEU 65 5.295 6.001 1.516 486 HB2 LEU 65 HB3 LEU 65 4.348 7.250 -0.532 487 HB3 LEU 65 HB2 LEU 65 5.693 6.612 -1.450 488 HG LEU 65 HG LEU 65 3.505 5.380 -1.762 489 HD11 LEU 65 HD11 LEU 65 4.366 3.106 -1.732 490 HD12 LEU 65 HD12 LEU 65 5.700 3.591 -0.684 491 HD13 LEU 65 HD13 LEU 65 5.597 4.223 -2.326 492 HD21 LEU 65 HD21 LEU 65 2.657 5.563 0.527 493 HD22 LEU 65 HD22 LEU 65 3.911 4.462 1.102 494 HD23 LEU 65 HD23 LEU 65 2.672 3.884 -0.013 495 H THR 66 H THR 66 7.978 6.890 -0.630 496 HA THR 66 HA THR 66 9.243 4.384 -0.841 497 HB THR 66 HB THR 66 11.283 5.708 -1.469 498 HG1 THR 66 HG1 THR 66 11.361 7.852 -1.186 499 HG21 THR 66 HG21 THR 66 8.718 6.734 -2.737 500 HG22 THR 66 HG22 THR 66 9.596 5.282 -3.215 501 HG23 THR 66 HG23 THR 66 10.333 6.867 -3.441 502 H GLY 67 H GLY 67 9.557 7.057 1.432 503 HA2 GLY 67 HA3 GLY 67 11.545 6.197 3.166 504 HA3 GLY 67 HA2 GLY 67 10.171 7.186 3.631 505 H GLN 68 H GLN 68 8.093 5.294 3.154 506 HA GLN 68 HA GLN 68 8.005 3.786 5.547 507 HB2 GLN 68 HB3 GLN 68 6.413 3.119 3.031 508 HB3 GLN 68 HB2 GLN 68 5.993 2.710 4.688 509 HG2 GLN 68 HG3 GLN 68 5.994 5.478 3.464 510 HG3 GLN 68 HG2 GLN 68 4.579 4.505 3.836 511 HE21 GLN 68 HE21 GLN 68 5.325 7.197 4.767 512 HE22 GLN 68 HE22 GLN 68 5.349 7.116 6.494 513 H LEU 69 H LEU 69 8.609 2.843 2.204 514 HA LEU 69 HA LEU 69 9.056 0.086 2.556 515 HB2 LEU 69 HB3 LEU 69 9.980 2.010 0.389 516 HB3 LEU 69 HB2 LEU 69 10.120 0.260 0.261 517 HG LEU 69 HG LEU 69 7.448 1.666 0.652 518 HD11 LEU 69 HD11 LEU 69 7.044 1.396 -1.750 519 HD12 LEU 69 HD12 LEU 69 8.694 0.811 -1.973 520 HD13 LEU 69 HD13 LEU 69 8.409 2.467 -1.438 521 HD21 LEU 69 HD21 LEU 69 7.480 -0.686 1.319 522 HD22 LEU 69 HD22 LEU 69 8.132 -1.150 -0.255 523 HD23 LEU 69 HD23 LEU 69 6.509 -0.468 -0.137 524 H HIS 70 H HIS 70 11.219 2.866 2.771 525 HA HIS 70 HA HIS 70 13.714 1.538 2.757 526 HB2 HIS 70 HB3 HIS 70 12.935 4.168 4.090 527 HB3 HIS 70 HB2 HIS 70 14.592 3.594 3.943 528 HD1 HIS 70 HD1 HIS 70 13.434 6.252 2.668 529 HD2 HIS 70 HD2 HIS 70 14.078 2.666 0.688 530 HE1 HIS 70 HE1 HIS 70 13.715 6.863 0.255 531 HE2 HIS 70 HE2 HIS 70 14.301 4.709 -0.885 532 H GLN 71 H GLN 71 11.469 2.290 5.360 533 HA GLN 71 HA GLN 71 13.072 1.347 7.530 534 HB2 GLN 71 HB3 GLN 71 10.032 1.564 7.377 535 HB3 GLN 71 HB2 GLN 71 11.009 1.501 8.848 536 HG2 GLN 71 HG3 GLN 71 12.056 3.667 8.216 537 HG3 GLN 71 HG2 GLN 71 11.042 3.718 6.783 538 HE21 GLN 71 HE21 GLN 71 11.041 3.963 10.286 539 HE22 GLN 71 HE22 GLN 71 9.494 4.729 10.410 540 H ALA 72 H ALA 72 10.797 -0.164 5.302 541 HA ALA 72 HA ALA 72 10.676 -2.737 6.585 542 HB1 ALA 72 HB1 ALA 72 10.003 -1.956 3.723 543 HB2 ALA 72 HB2 ALA 72 8.887 -1.957 5.089 544 HB3 ALA 72 HB3 ALA 72 9.563 -3.478 4.513 545 H GLY 73 H GLY 73 13.132 -1.206 4.799 546 HA2 GLY 73 HA3 GLY 73 15.277 -1.980 4.316 547 HA3 GLY 73 HA2 GLY 73 14.746 -3.633 4.609 548 H TYR 74 H TYR 74 13.016 -1.481 2.502 549 HA TYR 74 HA TYR 74 14.129 -2.721 0.053 550 HB2 TYR 74 HB3 TYR 74 11.257 -1.839 0.648 551 HB3 TYR 74 HB2 TYR 74 11.831 -2.201 -0.981 552 HD1 TYR 74 HD1 TYR 74 10.963 -3.677 2.307 553 HD2 TYR 74 HD2 TYR 74 12.335 -4.523 -1.657 554 HE1 TYR 74 HE1 TYR 74 10.570 -6.080 2.676 555 HE2 TYR 74 HE2 TYR 74 11.935 -6.915 -1.283 556 HH TYR 74 HH TYR 74 10.179 -8.132 1.341 557 H GLU 75 H GLU 75 15.058 -1.322 -1.330 558 HA GLU 75 HA GLU 75 15.082 1.509 -0.704 559 HB2 GLU 75 HB3 GLU 75 17.035 -0.119 -1.670 560 HB3 GLU 75 HB2 GLU 75 16.435 0.494 -3.201 561 HG2 GLU 75 HG3 GLU 75 17.601 2.085 -0.900 562 HG3 GLU 75 HG2 GLU 75 18.321 1.825 -2.480 563 H ALA 76 H ALA 76 14.116 3.095 -1.885 564 HA ALA 76 HA ALA 76 12.573 2.583 -4.286 565 HB1 ALA 76 HB1 ALA 76 10.428 3.256 -3.270 566 HB2 ALA 76 HB2 ALA 76 11.203 3.336 -1.683 567 HB3 ALA 76 HB3 ALA 76 11.058 1.789 -2.522 568 H GLN 77 H GLN 77 12.284 4.450 -5.455 569 HA GLN 77 HA GLN 77 12.847 7.071 -4.189 570 HB2 GLN 77 HB3 GLN 77 14.004 6.064 -6.830 571 HB3 GLN 77 HB2 GLN 77 14.100 7.733 -6.286 572 HG2 GLN 77 HG3 GLN 77 15.359 5.350 -4.897 573 HG3 GLN 77 HG2 GLN 77 16.202 6.517 -5.913 574 HE21 GLN 77 HE21 GLN 77 16.481 5.766 -3.034 575 HE22 GLN 77 HE22 GLN 77 16.417 7.268 -2.182 576 H LEU 78 H LEU 78 11.991 8.885 -5.330 577 HA LEU 78 HA LEU 78 9.409 8.742 -6.393 578 HB2 LEU 78 HB3 LEU 78 10.511 10.745 -5.367 579 HB3 LEU 78 HB2 LEU 78 11.505 10.927 -6.794 580 HG LEU 78 HG LEU 78 9.452 12.505 -6.477 581 HD11 LEU 78 HD11 LEU 78 10.716 12.465 -8.581 582 HD12 LEU 78 HD12 LEU 78 8.994 12.698 -8.872 583 HD13 LEU 78 HD13 LEU 78 9.733 11.121 -9.164 584 HD21 LEU 78 HD21 LEU 78 7.297 11.698 -7.287 585 HD22 LEU 78 HD22 LEU 78 7.822 10.775 -5.884 586 HD23 LEU 78 HD23 LEU 78 7.955 10.073 -7.498 587 H SER 79 H SER 79 12.532 8.578 -7.907 588 HA SER 79 HA SER 79 12.173 8.923 -10.570 589 HB2 SER 79 HB3 SER 79 13.786 6.686 -9.275 590 HB3 SER 79 HB2 SER 79 14.068 7.395 -10.868 591 HG SER 79 HG SER 79 14.369 9.429 -9.732 592 H ASP 80 H ASP 80 11.594 5.873 -8.792 593 HA ASP 80 HA ASP 80 10.537 4.521 -11.152 594 HB2 ASP 80 HB3 ASP 80 10.993 3.577 -8.299 595 HB3 ASP 80 HB2 ASP 80 10.294 2.556 -9.551 596 H LEU 81 H LEU 81 9.210 6.258 -8.453 597 HA LEU 81 HA LEU 81 6.580 5.088 -8.592 598 HB2 LEU 81 HB3 LEU 81 7.804 7.417 -7.164 599 HB3 LEU 81 HB2 LEU 81 6.080 7.554 -7.472 600 HG LEU 81 HG LEU 81 7.312 5.154 -6.067 601 HD11 LEU 81 HD11 LEU 81 6.617 6.107 -3.961 602 HD12 LEU 81 HD12 LEU 81 5.978 7.535 -4.775 603 HD13 LEU 81 HD13 LEU 81 7.714 7.224 -4.777 604 HD21 LEU 81 HD21 LEU 81 5.125 4.718 -7.102 605 HD22 LEU 81 HD22 LEU 81 4.434 6.112 -6.268 606 HD23 LEU 81 HD23 LEU 81 4.996 4.718 -5.342 607 H PHE 82 H PHE 82 8.124 7.868 -10.090 608 HA PHE 82 HA PHE 82 5.728 8.758 -11.444 609 HB2 PHE 82 HB3 PHE 82 7.664 10.261 -10.642 610 HB3 PHE 82 HB2 PHE 82 8.585 9.661 -12.018 611 HD1 PHE 82 HD1 PHE 82 8.166 10.537 -14.248 612 HD2 PHE 82 HD2 PHE 82 5.528 11.551 -11.035 613 HE1 PHE 82 HE1 PHE 82 7.082 12.229 -15.665 614 HE2 PHE 82 HE2 PHE 82 4.455 13.245 -12.452 615 HZ PHE 82 HZ PHE 82 5.228 13.592 -14.772 616 H ASN 83 H ASN 83 8.630 6.877 -12.217 617 HA ASN 83 HA ASN 83 8.100 6.570 -15.033 618 HB2 ASN 83 HB3 ASN 83 10.392 6.434 -14.005 619 HB3 ASN 83 HB2 ASN 83 9.932 4.934 -13.215 620 HD21 ASN 83 HD21 ASN 83 10.629 6.435 -16.330 621 HD22 ASN 83 HD22 ASN 83 10.899 4.956 -17.182 622 H HIS 84 H HIS 84 7.275 4.768 -12.121 623 HA HIS 84 HA HIS 84 5.510 2.950 -13.668 624 HB2 HIS 84 HB3 HIS 84 6.906 2.069 -11.100 625 HB3 HIS 84 HB2 HIS 84 6.068 1.066 -12.275 626 HD1 HIS 84 HD1 HIS 84 9.372 1.865 -11.201 627 HD2 HIS 84 HD2 HIS 84 7.627 1.124 -14.882 628 HE1 HIS 84 HE1 HIS 84 11.255 1.206 -12.718 629 HE2 HIS 84 HE2 HIS 84 10.196 1.025 -14.983 630 HA PRO 85 HA PRO 85 3.149 5.420 -10.448 631 HB2 PRO 85 HB3 PRO 85 1.027 5.575 -12.527 632 HB3 PRO 85 HB2 PRO 85 1.869 6.893 -11.688 633 HG2 PRO 85 HG3 PRO 85 2.289 6.384 -14.302 634 HG3 PRO 85 HG2 PRO 85 3.590 6.982 -13.243 635 HD2 PRO 85 HD3 PRO 85 3.048 4.151 -14.154 636 HD3 PRO 85 HD2 PRO 85 4.589 5.041 -14.092 637 H ARG 86 H ARG 86 2.212 2.772 -12.537 638 HA ARG 86 HA ARG 86 0.025 1.698 -11.149 639 HB2 ARG 86 HB3 ARG 86 1.902 0.840 -13.264 640 HB3 ARG 86 HB2 ARG 86 1.447 -0.504 -12.239 641 HG2 ARG 86 HG3 ARG 86 0.042 -0.386 -14.224 642 HG3 ARG 86 HG2 ARG 86 -0.913 -0.149 -12.761 643 HD2 ARG 86 HD3 ARG 86 -1.051 2.244 -13.180 644 HD3 ARG 86 HD2 ARG 86 0.057 2.108 -14.554 645 HE ARG 86 HE ARG 86 -1.947 0.416 -15.203 646 HH11 ARG 86 HH11 ARG 86 -1.991 3.823 -14.259 647 HH12 ARG 86 HH12 ARG 86 -3.413 4.168 -15.192 648 HH21 ARG 86 HH21 ARG 86 -3.810 0.878 -16.367 649 HH22 ARG 86 HH22 ARG 86 -4.448 2.500 -16.389 650 H LEU 87 H LEU 87 -0.140 0.446 -9.341 651 HA LEU 87 HA LEU 87 1.787 0.547 -7.336 652 HB2 LEU 87 HB3 LEU 87 -0.707 0.276 -7.096 653 HB3 LEU 87 HB2 LEU 87 -0.525 -1.420 -7.484 654 HG LEU 87 HG LEU 87 0.845 -0.168 -5.056 655 HD11 LEU 87 HD11 LEU 87 -1.031 -0.938 -3.681 656 HD12 LEU 87 HD12 LEU 87 -1.907 -1.439 -5.131 657 HD13 LEU 87 HD13 LEU 87 -1.545 0.268 -4.861 658 HD21 LEU 87 HD21 LEU 87 1.720 -2.381 -5.666 659 HD22 LEU 87 HD22 LEU 87 0.093 -3.061 -5.632 660 HD23 LEU 87 HD23 LEU 87 0.832 -2.464 -4.143 661 H ALA 88 H ALA 88 0.752 -2.367 -9.192 662 HA ALA 88 HA ALA 88 2.625 -4.078 -7.873 663 HB1 ALA 88 HB1 ALA 88 1.882 -5.835 -9.361 664 HB2 ALA 88 HB2 ALA 88 1.138 -4.658 -10.446 665 HB3 ALA 88 HB3 ALA 88 0.488 -4.898 -8.824 666 H ASP 89 H ASP 89 2.849 -2.095 -10.717 667 HA ASP 89 HA ASP 89 5.202 -3.315 -11.827 668 HB2 ASP 89 HB3 ASP 89 3.922 -0.578 -12.205 669 HB3 ASP 89 HB2 ASP 89 5.378 -1.069 -13.062 670 H PHE 90 H PHE 90 4.609 -0.528 -9.703 671 HA PHE 90 HA PHE 90 7.318 0.178 -9.258 672 HB2 PHE 90 HB3 PHE 90 5.517 1.765 -8.778 673 HB3 PHE 90 HB2 PHE 90 4.825 0.682 -7.573 674 HD1 PHE 90 HD1 PHE 90 8.162 2.290 -8.302 675 HD2 PHE 90 HD2 PHE 90 5.243 1.273 -5.342 676 HE1 PHE 90 HE1 PHE 90 9.548 3.346 -6.567 677 HE2 PHE 90 HE2 PHE 90 6.630 2.335 -3.617 678 HZ PHE 90 HZ PHE 90 8.786 3.367 -4.222 679 H ALA 91 H ALA 91 5.093 -2.007 -7.577 680 HA ALA 91 HA ALA 91 6.768 -2.646 -5.369 681 HB1 ALA 91 HB1 ALA 91 5.132 -4.429 -4.930 682 HB2 ALA 91 HB2 ALA 91 4.416 -4.179 -6.525 683 HB3 ALA 91 HB3 ALA 91 4.327 -2.906 -5.304 684 H ALA 92 H ALA 92 6.309 -4.016 -8.582 685 HA ALA 92 HA ALA 92 7.940 -6.335 -8.223 686 HB1 ALA 92 HB1 ALA 92 7.862 -6.529 -10.666 687 HB2 ALA 92 HB2 ALA 92 7.175 -4.903 -10.785 688 HB3 ALA 92 HB3 ALA 92 6.264 -6.196 -10.001 689 H THR 93 H THR 93 8.562 -3.019 -9.310 690 HA THR 93 HA THR 93 11.271 -3.583 -10.169 691 HB THR 93 HB THR 93 9.688 -1.763 -11.182 692 HG1 THR 93 HG1 THR 93 11.944 -2.067 -11.698 693 HG21 THR 93 HG21 THR 93 9.940 0.504 -10.283 694 HG22 THR 93 HG22 THR 93 10.914 -0.104 -8.946 695 HG23 THR 93 HG23 THR 93 9.212 -0.539 -9.060 696 H LEU 94 H LEU 94 9.841 -2.971 -7.133 697 HA LEU 94 HA LEU 94 11.951 -1.649 -5.786 698 HB2 LEU 94 HB3 LEU 94 9.888 -3.606 -4.698 699 HB3 LEU 94 HB2 LEU 94 11.022 -2.725 -3.684 700 HG LEU 94 HG LEU 94 8.828 -1.501 -5.386 701 HD11 LEU 94 HD11 LEU 94 7.972 -2.601 -3.389 702 HD12 LEU 94 HD12 LEU 94 7.818 -0.852 -3.257 703 HD13 LEU 94 HD13 LEU 94 9.099 -1.691 -2.377 704 HD21 LEU 94 HD21 LEU 94 10.762 -0.022 -5.376 705 HD22 LEU 94 HD22 LEU 94 10.866 -0.119 -3.616 706 HD23 LEU 94 HD23 LEU 94 9.474 0.653 -4.378 707 H ARG 95 H ARG 95 13.606 -2.421 -4.504 708 HA ARG 95 HA ARG 95 14.389 -5.246 -4.660 709 HB2 ARG 95 HB3 ARG 95 15.430 -3.890 -6.598 710 HB3 ARG 95 HB2 ARG 95 16.338 -3.002 -5.377 711 HG2 ARG 95 HG3 ARG 95 17.428 -5.091 -4.656 712 HG3 ARG 95 HG2 ARG 95 16.484 -6.002 -5.840 713 HD2 ARG 95 HD3 ARG 95 17.548 -4.639 -7.654 714 HD3 ARG 95 HD2 ARG 95 18.562 -3.866 -6.435 715 HE ARG 95 HE ARG 95 18.619 -6.781 -6.971 716 HH11 ARG 95 HH11 ARG 95 20.359 -3.773 -6.406 717 HH12 ARG 95 HH12 ARG 95 21.918 -4.537 -6.458 718 HH21 ARG 95 HH21 ARG 95 20.656 -7.745 -7.089 719 HH22 ARG 95 HH22 ARG 95 22.083 -6.784 -6.847 720 H LYS 96 H LYS 96 15.688 -5.868 -2.894 721 HA LYS 96 HA LYS 96 15.237 -4.471 -0.480 722 HB2 LYS 96 HB3 LYS 96 17.115 -6.804 -1.035 723 HB3 LYS 96 HB2 LYS 96 16.662 -6.233 0.571 724 HG2 LYS 96 HG3 LYS 96 14.292 -6.811 0.080 725 HG3 LYS 96 HG2 LYS 96 14.798 -7.445 -1.493 726 HD2 LYS 96 HD3 LYS 96 16.268 -9.091 -0.333 727 HD3 LYS 96 HD2 LYS 96 15.706 -8.474 1.224 728 HE2 LYS 96 HE3 LYS 96 13.408 -9.160 0.660 729 HE3 LYS 96 HE2 LYS 96 13.975 -9.775 -0.895 730 HZ1 LYS 96 HZ1 LYS 96 15.354 -11.374 0.274 731 HZ2 LYS 96 HZ2 LYS 96 13.738 -11.533 0.750 732 HZ3 LYS 96 HZ3 LYS 96 14.845 -10.765 1.766 733 H THR 97 H THR 97 16.597 -3.475 0.881 734 HA THR 97 HA THR 97 19.042 -2.232 -0.140 735 HB THR 97 HB THR 97 17.656 -1.859 2.567 736 HG1 THR 97 HG1 THR 97 16.913 -1.020 0.027 737 HG21 THR 97 HG21 THR 97 19.918 -0.856 2.387 738 HG22 THR 97 HG22 THR 97 18.662 0.378 2.511 739 HG23 THR 97 HG23 THR 97 19.403 0.030 0.947 740 H ASP 98 H ASP 98 21.109 -2.547 1.016 741 HA ASP 98 HA ASP 98 21.694 -4.980 2.317 742 HB2 ASP 98 HB3 ASP 98 23.115 -2.283 2.390 743 HB3 ASP 98 HB2 ASP 98 23.763 -3.706 3.207 744 H VAL 99 H VAL 99 20.980 -5.669 4.200 745 HA VAL 99 HA VAL 99 19.429 -4.143 5.976 746 HB VAL 99 HB VAL 99 20.720 -6.873 6.416 747 HG11 VAL 99 HG11 VAL 99 18.441 -5.564 7.945 748 HG12 VAL 99 HG12 VAL 99 20.066 -5.877 8.557 749 HG13 VAL 99 HG13 VAL 99 19.003 -7.224 8.160 750 HG21 VAL 99 HG21 VAL 99 19.229 -6.842 4.446 751 HG22 VAL 99 HG22 VAL 99 17.917 -6.194 5.431 752 HG23 VAL 99 HG23 VAL 99 18.534 -7.819 5.743 753 HA PRO 100 HA PRO 100 23.089 -2.283 7.996 754 HB2 PRO 100 HB3 PRO 100 21.116 -0.623 9.498 755 HB3 PRO 100 HB2 PRO 100 22.372 -0.110 8.351 756 HG2 PRO 100 HG3 PRO 100 19.781 0.022 7.686 757 HG3 PRO 100 HG2 PRO 100 21.018 -0.434 6.489 758 HD2 PRO 100 HD3 PRO 100 19.178 -2.253 8.067 759 HD3 PRO 100 HD2 PRO 100 19.531 -2.249 6.319 760 H VAL 101 H VAL 101 20.304 -2.389 10.290 761 HA VAL 101 HA VAL 101 21.769 -4.255 12.049 762 HB VAL 101 HB VAL 101 21.105 -2.966 14.086 763 HG11 VAL 101 HG11 VAL 101 22.867 -1.371 12.190 764 HG12 VAL 101 HG12 VAL 101 23.378 -2.722 13.203 765 HG13 VAL 101 HG13 VAL 101 22.831 -1.223 13.952 766 HG21 VAL 101 HG21 VAL 101 19.199 -1.691 13.201 767 HG22 VAL 101 HG22 VAL 101 20.276 -0.745 12.173 768 HG23 VAL 101 HG23 VAL 101 20.385 -0.605 13.932 769 H GLU 102 H GLU 102 18.665 -2.856 11.063 770 HA GLU 102 HA GLU 102 17.069 -4.594 12.746 771 HB2 GLU 102 HB3 GLU 102 16.172 -2.799 10.445 772 HB3 GLU 102 HB2 GLU 102 15.128 -3.549 11.646 773 HG2 GLU 102 HG3 GLU 102 17.207 -1.403 12.168 774 HG3 GLU 102 HG2 GLU 102 15.460 -1.176 12.138 775 H GLN 103 H GLN 103 17.870 -6.619 12.099 776 HA GLN 103 HA GLN 103 17.610 -7.586 9.385 777 HB2 GLN 103 HB3 GLN 103 18.250 -9.117 11.942 778 HB3 GLN 103 HB2 GLN 103 18.421 -9.743 10.301 779 HG2 GLN 103 HG3 GLN 103 20.109 -7.961 9.848 780 HG3 GLN 103 HG2 GLN 103 19.980 -7.454 11.530 781 HE21 GLN 103 HE21 GLN 103 20.827 -8.816 13.155 782 HE22 GLN 103 HE22 GLN 103 21.959 -10.065 12.796 783 HA PRO 104 HA PRO 104 13.320 -9.035 10.147 784 HB2 PRO 104 HB3 PRO 104 12.869 -9.943 7.579 785 HB3 PRO 104 HB2 PRO 104 12.696 -8.236 8.039 786 HG2 PRO 104 HG3 PRO 104 14.983 -9.593 6.664 787 HG3 PRO 104 HG2 PRO 104 14.243 -8.011 6.325 788 HD2 PRO 104 HD3 PRO 104 16.572 -8.261 7.722 789 HD3 PRO 104 HD2 PRO 104 15.415 -6.948 8.031 790 H PHE 105 H PHE 105 14.250 -10.565 11.568 791 HA PHE 105 HA PHE 105 15.788 -12.811 10.789 792 HB2 PHE 105 HB3 PHE 105 15.895 -11.786 13.058 793 HB3 PHE 105 HB2 PHE 105 14.259 -12.332 13.385 794 HD1 PHE 105 HD1 PHE 105 13.820 -14.659 14.034 795 HD2 PHE 105 HD2 PHE 105 17.774 -13.442 12.935 796 HE1 PHE 105 HE1 PHE 105 14.721 -16.765 14.924 797 HE2 PHE 105 HE2 PHE 105 18.664 -15.554 13.831 798 HZ PHE 105 HZ PHE 105 17.141 -17.219 14.820 799 H VAL 106 H VAL 106 14.533 -13.743 9.132 800 HA VAL 106 HA VAL 106 12.265 -15.430 9.891 801 HB VAL 106 HB VAL 106 12.371 -14.381 7.627 802 HG11 VAL 106 HG11 VAL 106 13.954 -15.134 5.919 803 HG12 VAL 106 HG12 VAL 106 14.781 -16.142 7.111 804 HG13 VAL 106 HG13 VAL 106 14.791 -14.385 7.282 805 HG21 VAL 106 HG21 VAL 106 12.486 -17.412 7.514 806 HG22 VAL 106 HG22 VAL 106 11.762 -16.357 6.296 807 HG23 VAL 106 HG23 VAL 106 11.071 -16.438 7.917 808 H HIS 107 H HIS 107 12.471 -17.747 10.047 809 HA HIS 107 HA HIS 107 14.968 -18.591 11.199 810 HB2 HIS 107 HB3 HIS 107 12.351 -20.057 10.733 811 HB3 HIS 107 HB2 HIS 107 13.768 -20.861 11.398 812 HD1 HIS 107 HD1 HIS 107 14.498 -20.206 13.810 813 HD2 HIS 107 HD2 HIS 107 11.004 -18.356 12.542 814 HE1 HIS 107 HE1 HIS 107 13.476 -19.209 15.872 815 HE2 HIS 107 HE2 HIS 107 11.353 -18.119 15.085 816 H SER 108 H SER 108 16.356 -18.273 9.474 817 HA SER 108 HA SER 108 16.517 -20.442 7.476 818 HB2 SER 108 HB3 SER 108 17.178 -17.486 7.019 819 HB3 SER 108 HB2 SER 108 17.424 -18.783 5.845 820 HG SER 108 HG SER 108 14.891 -18.201 6.967 821 HA PRO 109 HA PRO 109 20.270 -20.951 10.060 822 HB2 PRO 109 HB3 PRO 109 20.971 -22.859 7.826 823 HB3 PRO 109 HB2 PRO 109 20.981 -23.126 9.584 824 HG2 PRO 109 HG3 PRO 109 19.032 -24.144 8.116 825 HG3 PRO 109 HG2 PRO 109 18.662 -23.412 9.696 826 HD2 PRO 109 HD3 PRO 109 18.262 -22.258 6.941 827 HD3 PRO 109 HD2 PRO 109 17.197 -22.177 8.364 828 H GLU 110 H GLU 110 21.179 -18.897 9.687 829 HA GLU 110 HA GLU 110 23.385 -18.801 7.688 830 HB2 GLU 110 HB3 GLU 110 21.989 -16.437 9.053 831 HB3 GLU 110 HB2 GLU 110 23.300 -16.329 7.881 832 HG2 GLU 110 HG3 GLU 110 21.832 -17.265 6.129 833 HG3 GLU 110 HG2 GLU 110 20.519 -17.413 7.297 834 H ASP 111 H ASP 111 25.326 -19.121 8.637 835 HA ASP 111 HA ASP 111 26.986 -19.413 10.108 836 HB2 ASP 111 HB3 ASP 111 25.457 -17.532 11.961 837 HB3 ASP 111 HB2 ASP 111 27.019 -18.226 12.356 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -14.480 12.131 -32.325 2 H2 GLY 1 H2 GLY 1 -12.822 11.967 -32.598 3 H3 GLY 1 H3 GLY 1 -13.439 11.817 -31.033 4 HA2 GLY 1 HA2 GLY 1 -13.960 9.980 -33.301 5 HA3 GLY 1 HA3 GLY 1 -12.896 9.653 -31.942 6 H THR 2 H THR 2 -14.902 7.897 -32.573 7 HA THR 2 HA THR 2 -17.096 8.336 -30.657 8 HB THR 2 HB THR 2 -17.652 7.556 -32.949 9 HG1 THR 2 HG1 THR 2 -18.865 6.888 -30.954 10 HG21 THR 2 HG21 THR 2 -15.663 6.185 -33.417 11 HG22 THR 2 HG22 THR 2 -17.146 5.257 -33.656 12 HG23 THR 2 HG23 THR 2 -16.177 5.014 -32.201 13 H ILE 3 H ILE 3 -17.635 5.746 -29.810 14 HA ILE 3 HA ILE 3 -17.330 4.462 -28.015 15 HB ILE 3 HB ILE 3 -14.316 4.572 -28.530 16 HG12 ILE 3 HG13 ILE 3 -15.411 3.793 -30.573 17 HG13 ILE 3 HG12 ILE 3 -14.643 2.423 -29.788 18 HG21 ILE 3 HG21 ILE 3 -14.248 2.404 -27.341 19 HG22 ILE 3 HG22 ILE 3 -15.977 2.511 -27.011 20 HG23 ILE 3 HG23 ILE 3 -14.866 3.684 -26.297 21 HD11 ILE 3 HD11 ILE 3 -17.601 3.052 -29.744 22 HD12 ILE 3 HD12 ILE 3 -16.829 1.664 -28.968 23 HD13 ILE 3 HD13 ILE 3 -16.797 1.827 -30.723 24 H ASP 4 H ASP 4 -18.087 6.588 -27.323 25 HA ASP 4 HA ASP 4 -16.371 8.341 -25.819 26 HB2 ASP 4 HB3 ASP 4 -19.423 8.281 -25.984 27 HB3 ASP 4 HB2 ASP 4 -18.436 9.616 -25.407 28 H TYR 5 H TYR 5 -15.642 7.652 -23.869 29 HA TYR 5 HA TYR 5 -16.882 5.708 -22.216 30 HB2 TYR 5 HB3 TYR 5 -15.202 6.422 -20.462 31 HB3 TYR 5 HB2 TYR 5 -14.501 5.982 -22.009 32 HD1 TYR 5 HD1 TYR 5 -13.469 7.720 -23.471 33 HD2 TYR 5 HD2 TYR 5 -15.025 8.740 -19.620 34 HE1 TYR 5 HE1 TYR 5 -12.245 9.856 -23.539 35 HE2 TYR 5 HE2 TYR 5 -13.807 10.870 -19.698 36 HH TYR 5 HH TYR 5 -12.406 12.113 -22.507 37 H GLN 6 H GLN 6 -17.317 9.156 -22.469 38 HA GLN 6 HA GLN 6 -18.846 9.679 -20.143 39 HB2 GLN 6 HB3 GLN 6 -17.915 11.337 -21.873 40 HB3 GLN 6 HB2 GLN 6 -19.250 10.899 -22.917 41 HG2 GLN 6 HG3 GLN 6 -19.659 12.104 -20.163 42 HG3 GLN 6 HG2 GLN 6 -19.461 13.082 -21.612 43 HE21 GLN 6 HE21 GLN 6 -21.643 11.046 -19.830 44 HE22 GLN 6 HE22 GLN 6 -23.032 11.357 -20.806 45 H ALA 7 H ALA 7 -19.750 8.432 -23.366 46 HA ALA 7 HA ALA 7 -22.550 8.194 -22.924 47 HB1 ALA 7 HB1 ALA 7 -21.583 8.319 -25.181 48 HB2 ALA 7 HB2 ALA 7 -22.574 6.872 -24.998 49 HB3 ALA 7 HB3 ALA 7 -20.813 6.748 -24.953 50 H LEU 8 H LEU 8 -19.846 6.124 -22.106 51 HA LEU 8 HA LEU 8 -21.490 3.851 -21.377 52 HB2 LEU 8 HB3 LEU 8 -18.568 4.550 -20.948 53 HB3 LEU 8 HB2 LEU 8 -19.289 3.236 -20.042 54 HG LEU 8 HG LEU 8 -18.095 2.337 -21.947 55 HD11 LEU 8 HD11 LEU 8 -21.087 2.083 -22.379 56 HD12 LEU 8 HD12 LEU 8 -20.105 1.138 -21.258 57 HD13 LEU 8 HD13 LEU 8 -19.849 0.982 -22.992 58 HD21 LEU 8 HD21 LEU 8 -18.674 2.837 -24.277 59 HD22 LEU 8 HD22 LEU 8 -18.146 4.291 -23.431 60 HD23 LEU 8 HD23 LEU 8 -19.863 4.030 -23.743 61 H LYS 9 H LYS 9 -23.081 4.599 -19.945 62 HA LYS 9 HA LYS 9 -22.246 5.616 -17.289 63 HB2 LYS 9 HB3 LYS 9 -25.069 5.096 -18.377 64 HB3 LYS 9 HB2 LYS 9 -24.692 5.803 -16.814 65 HG2 LYS 9 HG3 LYS 9 -25.229 7.691 -18.024 66 HG3 LYS 9 HG2 LYS 9 -23.478 7.653 -18.244 67 HD2 LYS 9 HD3 LYS 9 -23.821 6.530 -20.451 68 HD3 LYS 9 HD2 LYS 9 -25.566 6.671 -20.227 69 HE2 LYS 9 HE3 LYS 9 -25.267 9.168 -20.090 70 HE3 LYS 9 HE2 LYS 9 -23.569 8.936 -20.513 71 HZ1 LYS 9 HZ1 LYS 9 -24.302 7.881 -22.582 72 HZ2 LYS 9 HZ2 LYS 9 -24.854 9.473 -22.454 73 HZ3 LYS 9 HZ3 LYS 9 -25.914 8.187 -22.174 74 H ARG 10 H ARG 10 -21.275 3.107 -17.926 75 HA ARG 10 HA ARG 10 -22.964 0.910 -17.833 76 HB2 ARG 10 HB3 ARG 10 -20.534 1.073 -18.687 77 HB3 ARG 10 HB2 ARG 10 -20.028 0.846 -17.015 78 HG2 ARG 10 HG3 ARG 10 -19.936 -1.274 -18.199 79 HG3 ARG 10 HG2 ARG 10 -21.221 -1.353 -16.988 80 HD2 ARG 10 HD3 ARG 10 -22.897 -0.876 -18.746 81 HD3 ARG 10 HD2 ARG 10 -21.608 -0.795 -19.954 82 HE ARG 10 HE ARG 10 -21.829 -3.294 -18.462 83 HH11 ARG 10 HH11 ARG 10 -22.675 -1.546 -21.412 84 HH12 ARG 10 HH12 ARG 10 -23.034 -2.997 -22.303 85 HH21 ARG 10 HH21 ARG 10 -22.353 -5.171 -19.633 86 HH22 ARG 10 HH22 ARG 10 -22.855 -5.043 -21.298 87 H ARG 11 H ARG 11 -20.836 2.142 -15.253 88 HA ARG 11 HA ARG 11 -21.081 2.381 -13.035 89 HB2 ARG 11 HB3 ARG 11 -23.453 3.063 -13.756 90 HB3 ARG 11 HB2 ARG 11 -23.966 1.446 -13.303 91 HG2 ARG 11 HG3 ARG 11 -24.526 2.811 -11.467 92 HG3 ARG 11 HG2 ARG 11 -23.062 1.970 -10.960 93 HD2 ARG 11 HD3 ARG 11 -23.123 4.795 -12.077 94 HD3 ARG 11 HD2 ARG 11 -23.141 4.405 -10.359 95 HE ARG 11 HE ARG 11 -20.896 3.165 -11.361 96 HH11 ARG 11 HH11 ARG 11 -22.037 6.494 -11.199 97 HH12 ARG 11 HH12 ARG 11 -20.434 7.163 -11.148 98 HH21 ARG 11 HH21 ARG 11 -18.803 4.069 -11.286 99 HH22 ARG 11 HH22 ARG 11 -18.612 5.792 -11.199 100 H HIS 12 H HIS 12 -21.226 1.202 -10.979 101 HA HIS 12 HA HIS 12 -21.042 -0.509 -9.539 102 HB2 HIS 12 HB3 HIS 12 -23.192 -1.311 -10.347 103 HB3 HIS 12 HB2 HIS 12 -22.441 -2.095 -11.724 104 HD1 HIS 12 HD1 HIS 12 -22.494 -4.537 -11.451 105 HD2 HIS 12 HD2 HIS 12 -21.967 -2.632 -7.795 106 HE1 HIS 12 HE1 HIS 12 -22.381 -6.374 -9.743 107 HE2 HIS 12 HE2 HIS 12 -21.821 -5.199 -7.589 108 H THR 13 H THR 13 -19.342 -0.357 -12.356 109 HA THR 13 HA THR 13 -17.566 -1.254 -13.350 110 HB THR 13 HB THR 13 -16.633 -1.881 -10.519 111 HG1 THR 13 HG1 THR 13 -17.397 0.331 -10.955 112 HG21 THR 13 HG21 THR 13 -15.129 -2.824 -12.263 113 HG22 THR 13 HG22 THR 13 -14.362 -1.483 -11.410 114 HG23 THR 13 HG23 THR 13 -15.024 -1.235 -13.028 115 HA PRO 14 HA PRO 14 -18.407 -5.825 -13.535 116 HB2 PRO 14 HB3 PRO 14 -19.005 -5.829 -16.218 117 HB3 PRO 14 HB2 PRO 14 -20.248 -5.594 -14.970 118 HG2 PRO 14 HG3 PRO 14 -18.817 -3.513 -16.606 119 HG3 PRO 14 HG2 PRO 14 -20.558 -3.671 -16.259 120 HD2 PRO 14 HD3 PRO 14 -19.005 -1.959 -14.862 121 HD3 PRO 14 HD2 PRO 14 -20.343 -2.834 -14.088 122 H GLU 15 H GLU 15 -17.362 -7.072 -15.621 123 HA GLU 15 HA GLU 15 -14.531 -6.514 -15.462 124 HB2 GLU 15 HB3 GLU 15 -15.929 -8.639 -17.150 125 HB3 GLU 15 HB2 GLU 15 -14.226 -8.586 -16.713 126 HG2 GLU 15 HG3 GLU 15 -14.958 -10.158 -15.196 127 HG3 GLU 15 HG2 GLU 15 -15.166 -8.705 -14.229 128 H ALA 16 H ALA 16 -17.108 -6.054 -17.756 129 HA ALA 16 HA ALA 16 -15.506 -5.392 -20.063 130 HB1 ALA 16 HB1 ALA 16 -17.768 -6.335 -20.290 131 HB2 ALA 16 HB2 ALA 16 -17.653 -4.773 -21.098 132 HB3 ALA 16 HB3 ALA 16 -18.460 -4.901 -19.529 133 H GLU 17 H GLU 17 -16.280 -3.710 -17.230 134 HA GLU 17 HA GLU 17 -16.185 -1.006 -18.273 135 HB2 GLU 17 HB3 GLU 17 -16.922 -2.241 -15.792 136 HB3 GLU 17 HB2 GLU 17 -15.528 -1.255 -15.402 137 HG2 GLU 17 HG3 GLU 17 -18.049 -0.241 -16.751 138 HG3 GLU 17 HG2 GLU 17 -17.698 -0.109 -15.033 139 H ASN 18 H ASN 18 -14.380 0.446 -17.037 140 HA ASN 18 HA ASN 18 -11.812 -0.103 -17.962 141 HB2 ASN 18 HB3 ASN 18 -12.515 2.158 -17.264 142 HB3 ASN 18 HB2 ASN 18 -12.668 1.627 -15.596 143 HD21 ASN 18 HD21 ASN 18 -11.217 3.116 -14.789 144 HD22 ASN 18 HD22 ASN 18 -9.520 3.053 -15.105 145 HA PRO 19 HA PRO 19 -10.646 -3.531 -15.204 146 HB2 PRO 19 HB3 PRO 19 -7.877 -2.721 -16.099 147 HB3 PRO 19 HB2 PRO 19 -8.631 -4.330 -16.084 148 HG2 PRO 19 HG3 PRO 19 -8.366 -3.055 -18.375 149 HG3 PRO 19 HG2 PRO 19 -9.894 -3.903 -18.023 150 HD2 PRO 19 HD3 PRO 19 -9.292 -0.946 -17.844 151 HD3 PRO 19 HD2 PRO 19 -10.731 -1.767 -18.502 152 H ALA 20 H ALA 20 -10.917 -3.007 -13.154 153 HA ALA 20 HA ALA 20 -8.834 -1.709 -11.576 154 HB1 ALA 20 HB1 ALA 20 -11.707 -0.665 -11.582 155 HB2 ALA 20 HB2 ALA 20 -10.297 0.199 -12.191 156 HB3 ALA 20 HB3 ALA 20 -10.433 -0.149 -10.468 157 H GLU 21 H GLU 21 -12.174 -3.005 -11.563 158 HA GLU 21 HA GLU 21 -11.865 -4.430 -9.066 159 HB2 GLU 21 HB3 GLU 21 -14.082 -3.644 -10.407 160 HB3 GLU 21 HB2 GLU 21 -13.973 -5.257 -11.083 161 HG2 GLU 21 HG3 GLU 21 -14.274 -4.525 -8.151 162 HG3 GLU 21 HG2 GLU 21 -15.519 -5.210 -9.187 163 H ALA 22 H ALA 22 -11.251 -6.515 -8.781 164 HA ALA 22 HA ALA 22 -10.229 -8.495 -9.034 165 HB1 ALA 22 HB1 ALA 22 -10.438 -9.843 -11.056 166 HB2 ALA 22 HB2 ALA 22 -11.010 -8.444 -11.972 167 HB3 ALA 22 HB3 ALA 22 -11.987 -9.099 -10.657 168 H ASP 23 H ASP 23 -9.040 -5.755 -9.877 169 HA ASP 23 HA ASP 23 -6.424 -6.821 -10.777 170 HB2 ASP 23 HB3 ASP 23 -7.546 -3.974 -10.907 171 HB3 ASP 23 HB2 ASP 23 -5.896 -4.414 -11.329 172 H LEU 24 H LEU 24 -7.662 -6.909 -8.056 173 HA LEU 24 HA LEU 24 -6.336 -4.995 -6.393 174 HB2 LEU 24 HB3 LEU 24 -7.732 -7.630 -5.777 175 HB3 LEU 24 HB2 LEU 24 -6.921 -6.697 -4.530 176 HG LEU 24 HG LEU 24 -8.452 -4.737 -5.141 177 HD11 LEU 24 HD11 LEU 24 -10.565 -5.203 -6.289 178 HD12 LEU 24 HD12 LEU 24 -10.009 -6.834 -6.670 179 HD13 LEU 24 HD13 LEU 24 -9.177 -5.436 -7.353 180 HD21 LEU 24 HD21 LEU 24 -10.334 -5.568 -3.800 181 HD22 LEU 24 HD22 LEU 24 -8.786 -6.050 -3.114 182 HD23 LEU 24 HD23 LEU 24 -9.758 -7.227 -4.002 183 HA PRO 25 HA PRO 25 -2.215 -6.496 -6.607 184 HB2 PRO 25 HB3 PRO 25 -1.799 -5.556 -3.781 185 HB3 PRO 25 HB2 PRO 25 -1.026 -5.003 -5.284 186 HG2 PRO 25 HG3 PRO 25 -2.822 -3.466 -4.076 187 HG3 PRO 25 HG2 PRO 25 -2.804 -3.593 -5.851 188 HD2 PRO 25 HD3 PRO 25 -4.627 -5.016 -3.887 189 HD3 PRO 25 HD2 PRO 25 -5.040 -4.146 -5.387 190 H GLN 26 H GLN 26 -1.450 -8.519 -6.461 191 HA GLN 26 HA GLN 26 -1.934 -10.153 -4.030 192 HB2 GLN 26 HB3 GLN 26 -2.090 -11.045 -6.946 193 HB3 GLN 26 HB2 GLN 26 -2.112 -12.144 -5.570 194 HG2 GLN 26 HG3 GLN 26 -4.225 -11.143 -4.788 195 HG3 GLN 26 HG2 GLN 26 -4.179 -10.002 -6.135 196 HE21 GLN 26 HE21 GLN 26 -6.166 -10.716 -6.912 197 HE22 GLN 26 HE22 GLN 26 -6.364 -12.239 -7.703 198 H GLY 27 H GLY 27 -0.115 -10.857 -3.126 199 HA2 GLY 27 HA3 GLY 27 2.127 -12.008 -3.634 200 HA3 GLY 27 HA2 GLY 27 2.476 -10.538 -4.549 201 H ASP 28 H ASP 28 4.014 -11.399 -2.307 202 HA ASP 28 HA ASP 28 3.254 -10.185 0.140 203 HB2 ASP 28 HB3 ASP 28 6.034 -10.912 -0.901 204 HB3 ASP 28 HB2 ASP 28 5.702 -10.424 0.759 205 H ILE 29 H ILE 29 5.218 -9.014 -2.565 206 HA ILE 29 HA ILE 29 5.924 -6.523 -1.274 207 HB ILE 29 HB ILE 29 6.293 -7.266 -4.216 208 HG12 ILE 29 HG13 ILE 29 7.373 -8.986 -2.789 209 HG13 ILE 29 HG12 ILE 29 8.575 -8.026 -3.637 210 HG21 ILE 29 HG21 ILE 29 8.130 -5.600 -4.153 211 HG22 ILE 29 HG22 ILE 29 7.719 -5.208 -2.482 212 HG23 ILE 29 HG23 ILE 29 6.567 -4.870 -3.776 213 HD11 ILE 29 HD11 ILE 29 9.036 -6.783 -1.567 214 HD12 ILE 29 HD12 ILE 29 9.268 -8.518 -1.366 215 HD13 ILE 29 HD13 ILE 29 7.821 -7.747 -0.720 216 H GLU 30 H GLU 30 3.571 -7.605 -3.717 217 HA GLU 30 HA GLU 30 2.612 -5.067 -4.536 218 HB2 GLU 30 HB3 GLU 30 1.336 -7.829 -4.552 219 HB3 GLU 30 HB2 GLU 30 0.504 -6.415 -5.182 220 HG2 GLU 30 HG3 GLU 30 1.515 -7.719 -6.979 221 HG3 GLU 30 HG2 GLU 30 2.226 -6.108 -6.882 222 H LYS 31 H LYS 31 1.595 -7.315 -1.959 223 HA LYS 31 HA LYS 31 -0.597 -5.802 -0.966 224 HB2 LYS 31 HB3 LYS 31 -0.317 -8.211 -0.554 225 HB3 LYS 31 HB2 LYS 31 1.169 -7.918 0.344 226 HG2 LYS 31 HG3 LYS 31 -0.162 -6.655 2.046 227 HG3 LYS 31 HG2 LYS 31 -1.635 -7.081 1.163 228 HD2 LYS 31 HD3 LYS 31 -1.157 -9.486 1.532 229 HD3 LYS 31 HD2 LYS 31 0.323 -9.056 2.402 230 HE2 LYS 31 HE3 LYS 31 -1.056 -7.832 4.084 231 HE3 LYS 31 HE2 LYS 31 -2.514 -8.349 3.231 232 HZ1 LYS 31 HZ1 LYS 31 -0.534 -10.109 4.566 233 HZ2 LYS 31 HZ2 LYS 31 -1.846 -10.659 3.657 234 HZ3 LYS 31 HZ3 LYS 31 -2.113 -9.787 5.078 235 H GLN 32 H GLN 32 2.868 -5.895 -0.198 236 HA GLN 32 HA GLN 32 2.974 -4.312 2.103 237 HB2 GLN 32 HB3 GLN 32 4.910 -5.575 1.243 238 HB3 GLN 32 HB2 GLN 32 4.977 -4.551 -0.183 239 HG2 GLN 32 HG3 GLN 32 6.747 -3.920 1.335 240 HG3 GLN 32 HG2 GLN 32 5.568 -2.613 1.267 241 HE21 GLN 32 HE21 GLN 32 6.897 -5.180 3.251 242 HE22 GLN 32 HE22 GLN 32 6.235 -4.634 4.752 243 H VAL 33 H VAL 33 3.427 -3.333 -1.289 244 HA VAL 33 HA VAL 33 3.542 -0.545 -0.818 245 HB VAL 33 HB VAL 33 2.885 -2.054 -3.392 246 HG11 VAL 33 HG11 VAL 33 2.277 0.329 -3.600 247 HG12 VAL 33 HG12 VAL 33 3.664 -0.070 -4.614 248 HG13 VAL 33 HG13 VAL 33 3.905 0.798 -3.094 249 HG21 VAL 33 HG21 VAL 33 5.583 -1.069 -2.383 250 HG22 VAL 33 HG22 VAL 33 5.278 -1.864 -3.931 251 HG23 VAL 33 HG23 VAL 33 5.044 -2.751 -2.424 252 H ALA 34 H ALA 34 0.854 -2.753 -1.547 253 HA ALA 34 HA ALA 34 -1.166 -0.872 -2.149 254 HB1 ALA 34 HB1 ALA 34 -2.741 -2.700 -1.733 255 HB2 ALA 34 HB2 ALA 34 -1.472 -3.631 -0.926 256 HB3 ALA 34 HB3 ALA 34 -1.348 -3.272 -2.650 257 H ALA 35 H ALA 35 -0.241 -2.403 0.910 258 HA ALA 35 HA ALA 35 -2.275 -1.326 2.550 259 HB1 ALA 35 HB1 ALA 35 0.521 -2.252 3.325 260 HB2 ALA 35 HB2 ALA 35 -0.912 -3.272 3.205 261 HB3 ALA 35 HB3 ALA 35 -0.839 -2.011 4.434 262 H LEU 36 H LEU 36 1.048 -0.282 1.861 263 HA LEU 36 HA LEU 36 1.110 1.944 3.606 264 HB2 LEU 36 HB3 LEU 36 2.767 1.347 1.125 265 HB3 LEU 36 HB2 LEU 36 3.146 2.596 2.303 266 HG LEU 36 HG LEU 36 3.090 -0.397 2.874 267 HD11 LEU 36 HD11 LEU 36 5.474 1.458 2.590 268 HD12 LEU 36 HD12 LEU 36 4.983 0.200 1.454 269 HD13 LEU 36 HD13 LEU 36 5.531 -0.242 3.067 270 HD21 LEU 36 HD21 LEU 36 2.442 0.857 4.858 271 HD22 LEU 36 HD22 LEU 36 3.857 1.899 4.704 272 HD23 LEU 36 HD23 LEU 36 4.058 0.184 5.069 273 H TRP 37 H TRP 37 0.164 1.629 0.188 274 HA TRP 37 HA TRP 37 -0.192 4.422 -0.303 275 HB2 TRP 37 HB3 TRP 37 -1.277 1.940 -1.681 276 HB3 TRP 37 HB2 TRP 37 -1.776 3.552 -2.182 277 HD1 TRP 37 HD1 TRP 37 1.904 3.035 -1.225 278 HE1 TRP 37 HE1 TRP 37 3.332 3.188 -3.352 279 HE3 TRP 37 HE3 TRP 37 -1.834 3.156 -4.720 280 HZ2 TRP 37 HZ2 TRP 37 2.951 3.324 -6.130 281 HZ3 TRP 37 HZ3 TRP 37 -1.209 3.298 -7.094 282 HH2 TRP 37 HH2 TRP 37 1.132 3.378 -7.782 283 H GLN 38 H GLN 38 -2.388 1.860 0.850 284 HA GLN 38 HA GLN 38 -4.731 3.488 0.891 285 HB2 GLN 38 HB3 GLN 38 -4.062 0.842 2.223 286 HB3 GLN 38 HB2 GLN 38 -5.625 1.621 2.439 287 HG2 GLN 38 HG3 GLN 38 -5.980 1.560 -0.014 288 HG3 GLN 38 HG2 GLN 38 -4.421 0.759 -0.197 289 HE21 GLN 38 HE21 GLN 38 -5.325 -1.039 -1.174 290 HE22 GLN 38 HE22 GLN 38 -6.301 -2.184 -0.324 291 H GLN 39 H GLN 39 -2.146 2.988 3.215 292 HA GLN 39 HA GLN 39 -3.477 4.300 5.420 293 HB2 GLN 39 HB3 GLN 39 -0.529 3.646 4.981 294 HB3 GLN 39 HB2 GLN 39 -1.200 4.267 6.481 295 HG2 GLN 39 HG3 GLN 39 -1.962 1.614 5.234 296 HG3 GLN 39 HG2 GLN 39 -0.756 1.818 6.497 297 HE21 GLN 39 HE21 GLN 39 -1.930 0.406 7.849 298 HE22 GLN 39 HE22 GLN 39 -3.375 0.903 8.658 299 H LEU 40 H LEU 40 -0.766 5.221 3.260 300 HA LEU 40 HA LEU 40 -0.478 7.842 4.277 301 HB2 LEU 40 HB3 LEU 40 0.647 6.312 1.949 302 HB3 LEU 40 HB2 LEU 40 0.884 8.045 1.998 303 HG LEU 40 HG LEU 40 2.817 6.805 2.888 304 HD11 LEU 40 HD11 LEU 40 2.411 9.103 3.653 305 HD12 LEU 40 HD12 LEU 40 3.182 8.136 4.905 306 HD13 LEU 40 HD13 LEU 40 1.456 8.494 5.012 307 HD21 LEU 40 HD21 LEU 40 1.008 5.866 5.138 308 HD22 LEU 40 HD22 LEU 40 2.759 5.644 5.052 309 HD23 LEU 40 HD23 LEU 40 1.713 4.853 3.875 310 H LEU 41 H LEU 41 -1.803 6.747 1.092 311 HA LEU 41 HA LEU 41 -2.803 9.337 0.367 312 HB2 LEU 41 HB3 LEU 41 -3.738 6.640 -0.714 313 HB3 LEU 41 HB2 LEU 41 -3.983 8.207 -1.469 314 HG LEU 41 HG LEU 41 -1.318 6.832 -1.103 315 HD11 LEU 41 HD11 LEU 41 -1.305 6.508 -3.530 316 HD12 LEU 41 HD12 LEU 41 -2.922 7.208 -3.640 317 HD13 LEU 41 HD13 LEU 41 -2.674 5.689 -2.777 318 HD21 LEU 41 HD21 LEU 41 -1.030 9.234 -1.003 319 HD22 LEU 41 HD22 LEU 41 -1.994 9.448 -2.467 320 HD23 LEU 41 HD23 LEU 41 -0.426 8.642 -2.551 321 H SER 42 H SER 42 -3.927 6.890 2.463 322 HA SER 42 HA SER 42 -5.685 6.608 3.818 323 HB2 SER 42 HB3 SER 42 -6.322 9.542 3.217 324 HB3 SER 42 HB2 SER 42 -6.887 8.607 4.610 325 HG SER 42 HG SER 42 -4.161 9.128 3.991 326 H THR 43 H THR 43 -6.059 5.464 1.536 327 HA THR 43 HA THR 43 -8.628 6.246 0.303 328 HB THR 43 HB THR 43 -8.000 4.708 -1.530 329 HG1 THR 43 HG1 THR 43 -6.498 3.544 0.271 330 HG21 THR 43 HG21 THR 43 -5.660 6.497 -0.764 331 HG22 THR 43 HG22 THR 43 -7.068 6.995 -1.705 332 HG23 THR 43 HG23 THR 43 -5.937 5.813 -2.366 333 H GLY 44 H GLY 44 -10.292 4.673 -0.002 334 HA2 GLY 44 HA3 GLY 44 -10.721 2.752 2.071 335 HA3 GLY 44 HA2 GLY 44 -11.700 2.969 0.627 336 H ASN 45 H ASN 45 -9.783 2.516 -1.341 337 HA ASN 45 HA ASN 45 -8.389 0.033 -0.912 338 HB2 ASN 45 HB3 ASN 45 -9.627 -1.316 -2.592 339 HB3 ASN 45 HB2 ASN 45 -10.664 -0.882 -1.242 340 HD21 ASN 45 HD21 ASN 45 -11.384 -1.684 -3.983 341 HD22 ASN 45 HD22 ASN 45 -12.358 -0.406 -4.612 342 H VAL 46 H VAL 46 -6.593 0.083 -2.165 343 HA VAL 46 HA VAL 46 -6.737 1.381 -4.840 344 HB VAL 46 HB VAL 46 -4.246 1.573 -4.799 345 HG11 VAL 46 HG11 VAL 46 -5.601 3.524 -4.216 346 HG12 VAL 46 HG12 VAL 46 -4.092 3.516 -3.303 347 HG13 VAL 46 HG13 VAL 46 -5.601 3.044 -2.516 348 HG21 VAL 46 HG21 VAL 46 -3.669 -0.174 -3.198 349 HG22 VAL 46 HG22 VAL 46 -4.464 0.704 -1.897 350 HG23 VAL 46 HG23 VAL 46 -3.011 1.367 -2.645 351 H THR 47 H THR 47 -5.917 0.255 -6.580 352 HA THR 47 HA THR 47 -5.460 -2.653 -6.226 353 HB THR 47 HB THR 47 -6.343 -2.869 -8.555 354 HG1 THR 47 HG1 THR 47 -7.491 -0.952 -9.359 355 HG21 THR 47 HG21 THR 47 -8.715 -2.368 -8.048 356 HG22 THR 47 HG22 THR 47 -8.218 -1.421 -6.647 357 HG23 THR 47 HG23 THR 47 -7.916 -3.161 -6.690 358 H ARG 48 H ARG 48 -4.146 -3.574 -8.174 359 HA ARG 48 HA ARG 48 -1.571 -2.433 -8.073 360 HB2 ARG 48 HB3 ARG 48 -0.864 -4.153 -9.609 361 HB3 ARG 48 HB2 ARG 48 -1.950 -4.851 -8.421 362 HG2 ARG 48 HG3 ARG 48 -3.605 -5.297 -9.982 363 HG3 ARG 48 HG2 ARG 48 -3.117 -3.985 -11.055 364 HD2 ARG 48 HD3 ARG 48 -1.552 -6.564 -10.651 365 HD3 ARG 48 HD2 ARG 48 -2.652 -6.240 -12.000 366 HE ARG 48 HE ARG 48 -0.786 -4.150 -11.880 367 HH11 ARG 48 HH11 ARG 48 -0.829 -7.583 -12.722 368 HH12 ARG 48 HH12 ARG 48 0.519 -7.445 -13.812 369 HH21 ARG 48 HH21 ARG 48 0.984 -3.988 -13.274 370 HH22 ARG 48 HH22 ARG 48 1.551 -5.395 -14.127 371 H GLU 49 H GLU 49 -4.215 -1.751 -10.155 372 HA GLU 49 HA GLU 49 -2.533 -0.504 -12.232 373 HB2 GLU 49 HB3 GLU 49 -5.523 -1.070 -12.220 374 HB3 GLU 49 HB2 GLU 49 -4.578 -0.499 -13.590 375 HG2 GLU 49 HG3 GLU 49 -4.244 -3.188 -12.228 376 HG3 GLU 49 HG2 GLU 49 -5.110 -2.908 -13.732 377 H THR 50 H THR 50 -4.190 0.367 -9.420 378 HA THR 50 HA THR 50 -4.878 3.061 -10.069 379 HB THR 50 HB THR 50 -4.105 1.838 -7.374 380 HG1 THR 50 HG1 THR 50 -6.126 1.214 -8.731 381 HG21 THR 50 HG21 THR 50 -5.543 4.464 -7.947 382 HG22 THR 50 HG22 THR 50 -3.896 4.316 -7.331 383 HG23 THR 50 HG23 THR 50 -5.258 3.771 -6.349 384 H ASP 51 H ASP 51 -3.541 4.767 -10.340 385 HA ASP 51 HA ASP 51 -0.642 4.453 -9.974 386 HB2 ASP 51 HB3 ASP 51 -2.137 6.770 -11.264 387 HB3 ASP 51 HB2 ASP 51 -0.411 6.457 -11.346 388 H PHE 52 H PHE 52 0.553 5.791 -8.606 389 HA PHE 52 HA PHE 52 -0.624 6.566 -6.184 390 HB2 PHE 52 HB3 PHE 52 1.813 5.954 -6.537 391 HB3 PHE 52 HB2 PHE 52 2.071 7.530 -7.271 392 HD1 PHE 52 HD1 PHE 52 1.334 5.748 -4.130 393 HD2 PHE 52 HD2 PHE 52 2.256 9.536 -5.878 394 HE1 PHE 52 HE1 PHE 52 1.779 6.664 -1.904 395 HE2 PHE 52 HE2 PHE 52 2.697 10.449 -3.639 396 HZ PHE 52 HZ PHE 52 2.460 9.015 -1.654 397 H PHE 53 H PHE 53 0.593 8.580 -8.839 398 HA PHE 53 HA PHE 53 -0.058 11.072 -7.567 399 HB2 PHE 53 HB3 PHE 53 0.883 10.492 -10.411 400 HB3 PHE 53 HB2 PHE 53 0.812 12.091 -9.668 401 HD1 PHE 53 HD1 PHE 53 2.273 12.569 -7.630 402 HD2 PHE 53 HD2 PHE 53 2.789 9.058 -10.023 403 HE1 PHE 53 HE1 PHE 53 4.503 12.225 -6.655 404 HE2 PHE 53 HE2 PHE 53 5.022 8.733 -9.043 405 HZ PHE 53 HZ PHE 53 5.878 10.306 -7.355 406 H GLN 54 H GLN 54 -1.600 9.006 -9.961 407 HA GLN 54 HA GLN 54 -3.588 10.878 -10.855 408 HB2 GLN 54 HB3 GLN 54 -2.794 8.765 -12.077 409 HB3 GLN 54 HB2 GLN 54 -3.759 7.828 -10.957 410 HG2 GLN 54 HG3 GLN 54 -4.953 9.950 -12.768 411 HG3 GLN 54 HG2 GLN 54 -4.748 8.279 -13.276 412 HE21 GLN 54 HE21 GLN 54 -7.182 9.905 -12.938 413 HE22 GLN 54 HE22 GLN 54 -8.196 8.996 -11.874 414 H GLN 55 H GLN 55 -3.380 8.498 -8.263 415 HA GLN 55 HA GLN 55 -6.078 8.580 -7.359 416 HB2 GLN 55 HB3 GLN 55 -4.405 6.788 -6.808 417 HB3 GLN 55 HB2 GLN 55 -3.535 7.932 -5.795 418 HG2 GLN 55 HG3 GLN 55 -4.926 6.383 -4.469 419 HG3 GLN 55 HG2 GLN 55 -5.430 8.061 -4.255 420 HE21 GLN 55 HE21 GLN 55 -7.451 8.701 -5.017 421 HE22 GLN 55 HE22 GLN 55 -8.654 7.580 -5.547 422 H GLY 56 H GLY 56 -3.478 10.813 -7.087 423 HA2 GLY 56 HA3 GLY 56 -4.195 13.109 -6.496 424 HA3 GLY 56 HA2 GLY 56 -4.915 12.430 -5.043 425 H GLY 57 H GLY 57 -2.320 10.592 -5.261 426 HA2 GLY 57 HA3 GLY 57 -0.906 11.703 -3.135 427 HA3 GLY 57 HA2 GLY 57 -0.300 10.459 -4.216 428 H ASP 58 H ASP 58 0.804 13.001 -2.930 429 HA ASP 58 HA ASP 58 1.629 14.630 -5.231 430 HB2 ASP 58 HB3 ASP 58 2.285 14.968 -2.265 431 HB3 ASP 58 HB2 ASP 58 2.535 16.162 -3.538 432 H SER 59 H SER 59 3.975 15.306 -5.246 433 HA SER 59 HA SER 59 5.837 13.145 -5.276 434 HB2 SER 59 HB3 SER 59 7.518 15.041 -5.670 435 HB3 SER 59 HB2 SER 59 6.170 14.982 -6.807 436 HG SER 59 HG SER 59 6.835 16.912 -4.977 437 H LEU 60 H LEU 60 5.042 15.674 -2.950 438 HA LEU 60 HA LEU 60 7.080 15.227 -1.016 439 HB2 LEU 60 HB3 LEU 60 5.588 17.254 -1.204 440 HB3 LEU 60 HB2 LEU 60 4.235 16.298 -0.648 441 HG LEU 60 HG LEU 60 5.255 17.886 1.052 442 HD11 LEU 60 HD11 LEU 60 3.817 16.077 1.820 443 HD12 LEU 60 HD12 LEU 60 5.097 16.407 2.984 444 HD13 LEU 60 HD13 LEU 60 5.202 14.990 1.936 445 HD21 LEU 60 HD21 LEU 60 7.618 17.577 0.470 446 HD22 LEU 60 HD22 LEU 60 7.571 15.928 1.102 447 HD23 LEU 60 HD23 LEU 60 7.329 17.299 2.187 448 H LEU 61 H LEU 61 3.740 14.061 -1.323 449 HA LEU 61 HA LEU 61 3.654 12.361 0.935 450 HB2 LEU 61 HB3 LEU 61 1.784 13.350 -0.733 451 HB3 LEU 61 HB2 LEU 61 1.981 11.806 -1.535 452 HG LEU 61 HG LEU 61 1.137 12.175 1.376 453 HD11 LEU 61 HD11 LEU 61 -0.565 11.493 -1.042 454 HD12 LEU 61 HD12 LEU 61 -0.595 13.001 -0.124 455 HD13 LEU 61 HD13 LEU 61 -1.112 11.501 0.638 456 HD21 LEU 61 HD21 LEU 61 2.257 10.032 1.057 457 HD22 LEU 61 HD22 LEU 61 1.199 9.651 -0.301 458 HD23 LEU 61 HD23 LEU 61 0.531 9.793 1.328 459 H ALA 62 H ALA 62 4.733 11.931 -2.375 460 HA ALA 62 HA ALA 62 5.118 9.124 -2.410 461 HB1 ALA 62 HB1 ALA 62 6.486 9.583 -4.414 462 HB2 ALA 62 HB2 ALA 62 6.464 11.308 -4.041 463 HB3 ALA 62 HB3 ALA 62 4.965 10.471 -4.450 464 H THR 63 H THR 63 7.247 11.863 -1.553 465 HA THR 63 HA THR 63 9.665 10.470 -1.169 466 HB THR 63 HB THR 63 8.706 12.967 0.310 467 HG1 THR 63 HG1 THR 63 9.122 12.653 -2.267 468 HG21 THR 63 HG21 THR 63 11.536 11.984 -0.234 469 HG22 THR 63 HG22 THR 63 10.742 12.008 1.341 470 HG23 THR 63 HG23 THR 63 11.106 13.524 0.520 471 H ARG 64 H ARG 64 6.967 11.145 1.018 472 HA ARG 64 HA ARG 64 8.039 9.935 3.352 473 HB2 ARG 64 HB3 ARG 64 5.163 10.490 2.508 474 HB3 ARG 64 HB2 ARG 64 5.631 9.941 4.115 475 HG2 ARG 64 HG3 ARG 64 7.039 12.023 4.346 476 HG3 ARG 64 HG2 ARG 64 6.375 12.584 2.810 477 HD2 ARG 64 HD3 ARG 64 4.112 12.587 3.763 478 HD3 ARG 64 HD2 ARG 64 4.734 11.939 5.287 479 HE ARG 64 HE ARG 64 6.124 14.291 4.767 480 HH11 ARG 64 HH11 ARG 64 2.810 13.375 5.520 481 HH12 ARG 64 HH12 ARG 64 2.438 14.895 6.279 482 HH21 ARG 64 HH21 ARG 64 5.624 16.282 5.738 483 HH22 ARG 64 HH22 ARG 64 4.040 16.550 6.401 484 H LEU 65 H LEU 65 5.959 8.726 0.726 485 HA LEU 65 HA LEU 65 5.219 6.236 1.786 486 HB2 LEU 65 HB3 LEU 65 4.257 7.480 -0.242 487 HB3 LEU 65 HB2 LEU 65 5.614 6.888 -1.173 488 HG LEU 65 HG LEU 65 3.433 5.638 -1.499 489 HD11 LEU 65 HD11 LEU 65 5.541 4.562 -2.149 490 HD12 LEU 65 HD12 LEU 65 4.341 3.395 -1.602 491 HD13 LEU 65 HD13 LEU 65 5.679 3.846 -0.540 492 HD21 LEU 65 HD21 LEU 65 3.915 4.593 1.306 493 HD22 LEU 65 HD22 LEU 65 2.658 4.058 0.188 494 HD23 LEU 65 HD23 LEU 65 2.632 5.702 0.814 495 H THR 66 H THR 66 7.941 7.135 -0.302 496 HA THR 66 HA THR 66 9.050 4.580 -0.687 497 HB THR 66 HB THR 66 11.155 5.869 -1.311 498 HG1 THR 66 HG1 THR 66 9.619 8.223 -0.970 499 HG21 THR 66 HG21 THR 66 8.557 6.854 -2.557 500 HG22 THR 66 HG22 THR 66 9.440 5.396 -3.017 501 HG23 THR 66 HG23 THR 66 10.161 6.983 -3.289 502 H GLY 67 H GLY 67 9.399 6.899 1.897 503 HA2 GLY 67 HA3 GLY 67 11.573 5.773 3.328 504 HA3 GLY 67 HA2 GLY 67 10.327 6.823 3.994 505 H GLN 68 H GLN 68 8.047 5.181 3.510 506 HA GLN 68 HA GLN 68 8.073 3.356 5.680 507 HB2 GLN 68 HB3 GLN 68 6.120 3.799 3.412 508 HB3 GLN 68 HB2 GLN 68 5.907 2.417 4.472 509 HG2 GLN 68 HG3 GLN 68 4.472 4.175 5.220 510 HG3 GLN 68 HG2 GLN 68 5.752 3.971 6.410 511 HE21 GLN 68 HE21 GLN 68 4.488 6.043 3.908 512 HE22 GLN 68 HE22 GLN 68 5.355 7.462 4.371 513 H LEU 69 H LEU 69 8.817 2.952 2.293 514 HA LEU 69 HA LEU 69 8.971 0.065 2.378 515 HB2 LEU 69 HB3 LEU 69 9.839 2.143 0.338 516 HB3 LEU 69 HB2 LEU 69 10.093 0.419 0.096 517 HG LEU 69 HG LEU 69 7.330 1.615 0.571 518 HD11 LEU 69 HD11 LEU 69 8.617 0.990 -2.099 519 HD12 LEU 69 HD12 LEU 69 8.236 2.595 -1.471 520 HD13 LEU 69 HD13 LEU 69 6.935 1.466 -1.839 521 HD21 LEU 69 HD21 LEU 69 8.205 -1.095 -0.492 522 HD22 LEU 69 HD22 LEU 69 6.536 -0.530 -0.363 523 HD23 LEU 69 HD23 LEU 69 7.498 -0.765 1.094 524 H HIS 70 H HIS 70 11.241 2.782 2.703 525 HA HIS 70 HA HIS 70 13.677 1.385 2.535 526 HB2 HIS 70 HB3 HIS 70 12.975 3.958 4.008 527 HB3 HIS 70 HB2 HIS 70 14.618 3.330 3.930 528 HD1 HIS 70 HD1 HIS 70 14.069 6.070 2.772 529 HD2 HIS 70 HD2 HIS 70 13.812 2.575 0.544 530 HE1 HIS 70 HE1 HIS 70 14.449 6.761 0.385 531 HE2 HIS 70 HE2 HIS 70 14.529 4.608 -0.900 532 H GLN 71 H GLN 71 11.685 2.148 5.384 533 HA GLN 71 HA GLN 71 13.347 0.858 7.319 534 HB2 GLN 71 HB3 GLN 71 11.334 1.020 8.808 535 HB3 GLN 71 HB2 GLN 71 11.767 2.549 8.051 536 HG2 GLN 71 HG3 GLN 71 9.973 2.373 6.469 537 HG3 GLN 71 HG2 GLN 71 9.619 0.721 6.968 538 HE21 GLN 71 HE21 GLN 71 8.514 0.395 8.966 539 HE22 GLN 71 HE22 GLN 71 7.666 1.680 9.751 540 H ALA 72 H ALA 72 10.810 -0.302 5.166 541 HA ALA 72 HA ALA 72 10.565 -2.922 6.376 542 HB1 ALA 72 HB1 ALA 72 9.189 -3.463 4.408 543 HB2 ALA 72 HB2 ALA 72 9.672 -1.945 3.642 544 HB3 ALA 72 HB3 ALA 72 8.708 -1.919 5.118 545 H GLY 73 H GLY 73 12.979 -1.475 4.574 546 HA2 GLY 73 HA3 GLY 73 15.047 -2.347 4.001 547 HA3 GLY 73 HA2 GLY 73 14.406 -3.979 4.142 548 H TYR 74 H TYR 74 12.892 -1.457 2.234 549 HA TYR 74 HA TYR 74 13.869 -2.659 -0.298 550 HB2 TYR 74 HB3 TYR 74 11.134 -1.330 0.128 551 HB3 TYR 74 HB2 TYR 74 11.701 -2.132 -1.341 552 HD1 TYR 74 HD1 TYR 74 9.644 -2.585 1.456 553 HD2 TYR 74 HD2 TYR 74 12.557 -4.694 -0.862 554 HE1 TYR 74 HE1 TYR 74 8.777 -4.724 2.306 555 HE2 TYR 74 HE2 TYR 74 11.678 -6.826 -0.018 556 HH TYR 74 HH TYR 74 10.437 -7.613 2.029 557 H GLU 75 H GLU 75 15.081 -1.235 -1.435 558 HA GLU 75 HA GLU 75 15.161 1.556 -0.877 559 HB2 GLU 75 HB3 GLU 75 17.041 -0.058 -1.874 560 HB3 GLU 75 HB2 GLU 75 16.345 0.391 -3.421 561 HG2 GLU 75 HG3 GLU 75 17.586 2.242 -1.362 562 HG3 GLU 75 HG2 GLU 75 18.264 1.793 -2.919 563 H ALA 76 H ALA 76 14.054 3.121 -1.851 564 HA ALA 76 HA ALA 76 12.296 2.645 -4.129 565 HB1 ALA 76 HB1 ALA 76 10.982 1.978 -2.183 566 HB2 ALA 76 HB2 ALA 76 10.345 3.476 -2.863 567 HB3 ALA 76 HB3 ALA 76 11.324 3.519 -1.392 568 H GLN 77 H GLN 77 12.653 4.283 -5.450 569 HA GLN 77 HA GLN 77 13.154 7.006 -4.372 570 HB2 GLN 77 HB3 GLN 77 14.217 5.670 -6.904 571 HB3 GLN 77 HB2 GLN 77 14.236 7.416 -6.688 572 HG2 GLN 77 HG3 GLN 77 15.637 5.428 -4.881 573 HG3 GLN 77 HG2 GLN 77 16.405 6.367 -6.158 574 HE21 GLN 77 HE21 GLN 77 14.984 8.843 -5.607 575 HE22 GLN 77 HE22 GLN 77 15.615 9.450 -4.122 576 H LEU 78 H LEU 78 12.366 8.748 -5.708 577 HA LEU 78 HA LEU 78 9.610 8.415 -6.397 578 HB2 LEU 78 HB3 LEU 78 11.362 10.852 -6.932 579 HB3 LEU 78 HB2 LEU 78 9.606 10.811 -6.820 580 HG LEU 78 HG LEU 78 11.594 10.453 -4.549 581 HD11 LEU 78 HD11 LEU 78 10.511 12.447 -3.602 582 HD12 LEU 78 HD12 LEU 78 9.485 12.574 -5.033 583 HD13 LEU 78 HD13 LEU 78 11.232 12.774 -5.177 584 HD21 LEU 78 HD21 LEU 78 9.817 8.848 -4.192 585 HD22 LEU 78 HD22 LEU 78 8.590 10.090 -4.453 586 HD23 LEU 78 HD23 LEU 78 9.655 10.180 -3.050 587 H SER 79 H SER 79 12.590 8.367 -8.148 588 HA SER 79 HA SER 79 11.903 9.021 -10.741 589 HB2 SER 79 HB3 SER 79 13.831 6.824 -9.880 590 HB3 SER 79 HB2 SER 79 13.846 7.687 -11.423 591 HG SER 79 HG SER 79 15.347 8.628 -10.076 592 H ASP 80 H ASP 80 11.651 5.859 -9.120 593 HA ASP 80 HA ASP 80 10.469 4.561 -11.422 594 HB2 ASP 80 HB3 ASP 80 11.013 3.573 -8.604 595 HB3 ASP 80 HB2 ASP 80 10.225 2.582 -9.830 596 H LEU 81 H LEU 81 9.209 6.366 -8.765 597 HA LEU 81 HA LEU 81 6.499 5.378 -9.028 598 HB2 LEU 81 HB3 LEU 81 7.749 7.785 -7.664 599 HB3 LEU 81 HB2 LEU 81 6.005 7.676 -7.826 600 HG LEU 81 HG LEU 81 7.664 5.530 -6.443 601 HD11 LEU 81 HD11 LEU 81 6.947 6.484 -4.318 602 HD12 LEU 81 HD12 LEU 81 6.104 7.791 -5.155 603 HD13 LEU 81 HD13 LEU 81 7.863 7.676 -5.241 604 HD21 LEU 81 HD21 LEU 81 4.666 6.058 -6.463 605 HD22 LEU 81 HD22 LEU 81 5.490 4.797 -5.538 606 HD23 LEU 81 HD23 LEU 81 5.498 4.741 -7.298 607 H PHE 82 H PHE 82 8.431 7.923 -10.545 608 HA PHE 82 HA PHE 82 6.210 8.887 -12.186 609 HB2 PHE 82 HB3 PHE 82 9.189 9.556 -12.189 610 HB3 PHE 82 HB2 PHE 82 8.034 10.275 -13.306 611 HD1 PHE 82 HD1 PHE 82 5.929 11.433 -12.193 612 HD2 PHE 82 HD2 PHE 82 9.611 10.695 -10.142 613 HE1 PHE 82 HE1 PHE 82 5.380 13.183 -10.556 614 HE2 PHE 82 HE2 PHE 82 9.048 12.446 -8.509 615 HZ PHE 82 HZ PHE 82 6.932 13.690 -8.713 616 H ASN 83 H ASN 83 8.734 6.501 -12.390 617 HA ASN 83 HA ASN 83 8.560 6.114 -15.287 618 HB2 ASN 83 HB3 ASN 83 10.732 5.879 -14.031 619 HB3 ASN 83 HB2 ASN 83 10.066 4.510 -13.149 620 HD21 ASN 83 HD21 ASN 83 11.683 3.115 -13.901 621 HD22 ASN 83 HD22 ASN 83 11.750 2.563 -15.541 622 H HIS 84 H HIS 84 7.397 4.665 -12.324 623 HA HIS 84 HA HIS 84 5.482 2.965 -13.789 624 HB2 HIS 84 HB3 HIS 84 7.069 2.029 -11.343 625 HB3 HIS 84 HB2 HIS 84 5.822 1.115 -12.179 626 HD1 HIS 84 HD1 HIS 84 6.492 -0.015 -14.427 627 HD2 HIS 84 HD2 HIS 84 9.629 1.940 -12.515 628 HE1 HIS 84 HE1 HIS 84 8.578 -0.801 -15.572 629 HE2 HIS 84 HE2 HIS 84 10.457 0.407 -14.432 630 HA PRO 85 HA PRO 85 3.505 5.664 -10.539 631 HB2 PRO 85 HB3 PRO 85 1.268 5.842 -12.506 632 HB3 PRO 85 HB2 PRO 85 2.193 7.145 -11.728 633 HG2 PRO 85 HG3 PRO 85 2.495 6.586 -14.341 634 HG3 PRO 85 HG2 PRO 85 3.866 7.126 -13.343 635 HD2 PRO 85 HD3 PRO 85 3.147 4.313 -14.201 636 HD3 PRO 85 HD2 PRO 85 4.734 5.128 -14.204 637 H ARG 86 H ARG 86 2.179 3.024 -12.482 638 HA ARG 86 HA ARG 86 0.092 2.180 -10.807 639 HB2 ARG 86 HB3 ARG 86 1.788 0.851 -12.920 640 HB3 ARG 86 HB2 ARG 86 0.706 -0.151 -11.960 641 HG2 ARG 86 HG3 ARG 86 -1.217 0.852 -12.807 642 HG3 ARG 86 HG2 ARG 86 -0.365 2.299 -13.346 643 HD2 ARG 86 HD3 ARG 86 -1.061 0.909 -15.250 644 HD3 ARG 86 HD2 ARG 86 0.697 1.015 -15.160 645 HE ARG 86 HE ARG 86 -0.173 -1.296 -13.802 646 HH11 ARG 86 HH11 ARG 86 0.089 -0.095 -17.105 647 HH12 ARG 86 HH12 ARG 86 0.251 -1.683 -17.786 648 HH21 ARG 86 HH21 ARG 86 0.010 -3.335 -14.702 649 HH22 ARG 86 HH22 ARG 86 0.206 -3.531 -16.417 650 H LEU 87 H LEU 87 -0.055 0.445 -9.380 651 HA LEU 87 HA LEU 87 1.774 0.683 -7.244 652 HB2 LEU 87 HB3 LEU 87 -0.721 0.445 -7.161 653 HB3 LEU 87 HB2 LEU 87 -0.549 -1.244 -7.582 654 HG LEU 87 HG LEU 87 0.692 -0.110 -5.041 655 HD11 LEU 87 HD11 LEU 87 -1.329 -0.837 -3.849 656 HD12 LEU 87 HD12 LEU 87 -2.110 -1.240 -5.378 657 HD13 LEU 87 HD13 LEU 87 -1.690 0.436 -5.009 658 HD21 LEU 87 HD21 LEU 87 1.500 -2.337 -5.683 659 HD22 LEU 87 HD22 LEU 87 -0.157 -2.934 -5.795 660 HD23 LEU 87 HD23 LEU 87 0.501 -2.439 -4.232 661 H ALA 88 H ALA 88 0.970 -2.097 -9.389 662 HA ALA 88 HA ALA 88 2.766 -3.892 -7.927 663 HB1 ALA 88 HB1 ALA 88 0.731 -4.796 -8.945 664 HB2 ALA 88 HB2 ALA 88 2.163 -5.578 -9.615 665 HB3 ALA 88 HB3 ALA 88 1.307 -4.343 -10.549 666 H ASP 89 H ASP 89 2.812 -1.965 -10.794 667 HA ASP 89 HA ASP 89 5.134 -3.058 -12.026 668 HB2 ASP 89 HB3 ASP 89 3.746 -0.365 -12.398 669 HB3 ASP 89 HB2 ASP 89 4.950 -1.044 -13.492 670 H PHE 90 H PHE 90 4.556 -0.531 -9.638 671 HA PHE 90 HA PHE 90 7.331 0.301 -9.449 672 HB2 PHE 90 HB3 PHE 90 5.556 1.900 -8.863 673 HB3 PHE 90 HB2 PHE 90 4.932 0.816 -7.624 674 HD1 PHE 90 HD1 PHE 90 5.499 1.387 -5.408 675 HD2 PHE 90 HD2 PHE 90 8.218 2.437 -8.543 676 HE1 PHE 90 HE1 PHE 90 6.989 2.451 -3.771 677 HE2 PHE 90 HE2 PHE 90 9.702 3.500 -6.892 678 HZ PHE 90 HZ PHE 90 9.092 3.506 -4.505 679 H ALA 91 H ALA 91 5.198 -2.024 -7.878 680 HA ALA 91 HA ALA 91 6.734 -2.583 -5.578 681 HB1 ALA 91 HB1 ALA 91 4.356 -3.182 -5.784 682 HB2 ALA 91 HB2 ALA 91 5.337 -4.583 -5.346 683 HB3 ALA 91 HB3 ALA 91 4.759 -4.393 -7.005 684 H ALA 92 H ALA 92 6.756 -3.991 -8.834 685 HA ALA 92 HA ALA 92 8.471 -6.191 -8.315 686 HB1 ALA 92 HB1 ALA 92 7.983 -4.737 -10.935 687 HB2 ALA 92 HB2 ALA 92 7.039 -6.085 -10.298 688 HB3 ALA 92 HB3 ALA 92 8.723 -6.334 -10.755 689 H THR 93 H THR 93 9.140 -2.823 -9.225 690 HA THR 93 HA THR 93 11.940 -3.340 -9.826 691 HB THR 93 HB THR 93 10.617 -1.729 -11.199 692 HG1 THR 93 HG1 THR 93 12.879 -0.652 -9.841 693 HG21 THR 93 HG21 THR 93 10.723 0.096 -8.773 694 HG22 THR 93 HG22 THR 93 9.268 -0.660 -9.426 695 HG23 THR 93 HG23 THR 93 10.145 0.533 -10.385 696 H LEU 94 H LEU 94 10.305 -2.972 -6.957 697 HA LEU 94 HA LEU 94 12.176 -1.440 -5.429 698 HB2 LEU 94 HB3 LEU 94 10.176 -3.554 -4.559 699 HB3 LEU 94 HB2 LEU 94 11.126 -2.593 -3.435 700 HG LEU 94 HG LEU 94 9.035 -1.520 -5.370 701 HD11 LEU 94 HD11 LEU 94 7.746 -0.988 -3.350 702 HD12 LEU 94 HD12 LEU 94 8.970 -1.767 -2.345 703 HD13 LEU 94 HD13 LEU 94 8.032 -2.721 -3.499 704 HD21 LEU 94 HD21 LEU 94 9.388 0.658 -4.262 705 HD22 LEU 94 HD22 LEU 94 10.829 0.110 -5.111 706 HD23 LEU 94 HD23 LEU 94 10.741 -0.019 -3.352 707 H ARG 95 H ARG 95 14.101 -1.996 -4.663 708 HA ARG 95 HA ARG 95 15.105 -4.776 -4.916 709 HB2 ARG 95 HB3 ARG 95 16.597 -2.127 -4.613 710 HB3 ARG 95 HB2 ARG 95 17.346 -3.706 -4.858 711 HG2 ARG 95 HG3 ARG 95 16.384 -3.880 -7.088 712 HG3 ARG 95 HG2 ARG 95 15.467 -2.388 -6.846 713 HD2 ARG 95 HD3 ARG 95 17.498 -2.058 -8.235 714 HD3 ARG 95 HD2 ARG 95 17.514 -1.081 -6.762 715 HE ARG 95 HE ARG 95 18.858 -3.550 -6.347 716 HH11 ARG 95 HH11 ARG 95 19.333 -0.420 -7.891 717 HH12 ARG 95 HH12 ARG 95 21.061 -0.490 -7.752 718 HH21 ARG 95 HH21 ARG 95 21.099 -3.608 -6.139 719 HH22 ARG 95 HH22 ARG 95 22.069 -2.305 -6.754 720 H LYS 96 H LYS 96 15.904 -5.833 -3.068 721 HA LYS 96 HA LYS 96 15.014 -4.808 -0.522 722 HB2 LYS 96 HB3 LYS 96 16.534 -7.359 -1.219 723 HB3 LYS 96 HB2 LYS 96 15.933 -6.963 0.393 724 HG2 LYS 96 HG3 LYS 96 13.608 -6.855 -0.549 725 HG3 LYS 96 HG2 LYS 96 14.252 -7.408 -2.100 726 HD2 LYS 96 HD3 LYS 96 15.009 -9.516 -1.044 727 HD3 LYS 96 HD2 LYS 96 14.411 -8.951 0.522 728 HE2 LYS 96 HE3 LYS 96 12.107 -8.888 -0.388 729 HE3 LYS 96 HE2 LYS 96 12.712 -9.475 -1.942 730 HZ1 LYS 96 HZ1 LYS 96 12.837 -10.930 0.647 731 HZ2 LYS 96 HZ2 LYS 96 13.467 -11.496 -0.816 732 HZ3 LYS 96 HZ3 LYS 96 11.804 -11.277 -0.644 733 H THR 97 H THR 97 16.128 -3.178 0.294 734 HA THR 97 HA THR 97 18.949 -2.776 0.178 735 HB THR 97 HB THR 97 16.970 -1.559 2.176 736 HG1 THR 97 HG1 THR 97 17.463 -1.054 -0.548 737 HG21 THR 97 HG21 THR 97 19.364 -1.051 2.639 738 HG22 THR 97 HG22 THR 97 18.476 0.386 2.128 739 HG23 THR 97 HG23 THR 97 19.546 -0.440 0.993 740 H ASP 98 H ASP 98 20.442 -3.875 1.380 741 HA ASP 98 HA ASP 98 19.770 -5.521 3.629 742 HB2 ASP 98 HB3 ASP 98 22.080 -6.102 3.707 743 HB3 ASP 98 HB2 ASP 98 21.726 -5.884 2.002 744 H VAL 99 H VAL 99 20.072 -5.065 5.814 745 HA VAL 99 HA VAL 99 20.195 -2.236 6.542 746 HB VAL 99 HB VAL 99 19.686 -4.660 8.327 747 HG11 VAL 99 HG11 VAL 99 18.695 -3.059 9.910 748 HG12 VAL 99 HG12 VAL 99 19.092 -1.721 8.828 749 HG13 VAL 99 HG13 VAL 99 20.382 -2.660 9.584 750 HG21 VAL 99 HG21 VAL 99 17.981 -4.553 6.554 751 HG22 VAL 99 HG22 VAL 99 17.637 -2.869 6.961 752 HG23 VAL 99 HG23 VAL 99 17.277 -4.149 8.122 753 HA PRO 100 HA PRO 100 24.617 -2.642 7.477 754 HB2 PRO 100 HB3 PRO 100 25.012 -0.273 8.834 755 HB3 PRO 100 HB2 PRO 100 24.772 -0.357 7.078 756 HG2 PRO 100 HG3 PRO 100 22.755 0.265 9.215 757 HG3 PRO 100 HG2 PRO 100 23.053 1.105 7.674 758 HD2 PRO 100 HD3 PRO 100 21.027 -0.656 7.938 759 HD3 PRO 100 HD2 PRO 100 21.939 -0.519 6.416 760 H VAL 101 H VAL 101 22.375 -3.431 9.666 761 HA VAL 101 HA VAL 101 24.071 -3.522 12.054 762 HB VAL 101 HB VAL 101 22.164 -4.577 13.169 763 HG11 VAL 101 HG11 VAL 101 21.224 -2.234 11.472 764 HG12 VAL 101 HG12 VAL 101 22.105 -2.126 12.997 765 HG13 VAL 101 HG13 VAL 101 20.469 -2.786 12.971 766 HG21 VAL 101 HG21 VAL 101 20.813 -4.672 10.441 767 HG22 VAL 101 HG22 VAL 101 20.028 -5.074 11.970 768 HG23 VAL 101 HG23 VAL 101 21.370 -6.057 11.384 769 H GLU 102 H GLU 102 23.578 -6.047 13.081 770 HA GLU 102 HA GLU 102 25.198 -7.825 11.506 771 HB2 GLU 102 HB3 GLU 102 23.637 -8.308 14.093 772 HB3 GLU 102 HB2 GLU 102 24.688 -9.504 13.342 773 HG2 GLU 102 HG3 GLU 102 25.905 -8.505 15.136 774 HG3 GLU 102 HG2 GLU 102 26.618 -7.924 13.639 775 H GLN 103 H GLN 103 23.970 -7.870 9.593 776 HA GLN 103 HA GLN 103 21.393 -9.324 9.605 777 HB2 GLN 103 HB3 GLN 103 21.300 -6.994 8.830 778 HB3 GLN 103 HB2 GLN 103 22.576 -7.280 7.658 779 HG2 GLN 103 HG3 GLN 103 20.112 -8.961 7.394 780 HG3 GLN 103 HG2 GLN 103 19.940 -7.250 7.027 781 HE21 GLN 103 HE21 GLN 103 22.578 -6.871 5.947 782 HE22 GLN 103 HE22 GLN 103 22.613 -7.688 4.426 783 HA PRO 104 HA PRO 104 23.001 -13.227 8.164 784 HB2 PRO 104 HB3 PRO 104 21.125 -12.561 5.863 785 HB3 PRO 104 HB2 PRO 104 21.409 -14.136 6.643 786 HG2 PRO 104 HG3 PRO 104 19.326 -12.610 7.368 787 HG3 PRO 104 HG2 PRO 104 20.221 -13.577 8.561 788 HD2 PRO 104 HD3 PRO 104 20.110 -10.651 8.283 789 HD3 PRO 104 HD2 PRO 104 20.743 -11.618 9.636 790 H PHE 105 H PHE 105 22.664 -10.960 5.386 791 HA PHE 105 HA PHE 105 25.498 -11.379 4.728 792 HB2 PHE 105 HB3 PHE 105 24.219 -12.934 3.250 793 HB3 PHE 105 HB2 PHE 105 23.259 -11.586 2.655 794 HD1 PHE 105 HD1 PHE 105 24.104 -10.182 0.862 795 HD2 PHE 105 HD2 PHE 105 26.697 -13.038 2.714 796 HE1 PHE 105 HE1 PHE 105 25.772 -9.821 -0.902 797 HE2 PHE 105 HE2 PHE 105 28.361 -12.667 0.938 798 HZ PHE 105 HZ PHE 105 27.899 -11.059 -0.870 799 H VAL 106 H VAL 106 25.746 -9.337 5.718 800 HA VAL 106 HA VAL 106 24.491 -6.948 4.840 801 HB VAL 106 HB VAL 106 27.324 -7.200 5.992 802 HG11 VAL 106 HG11 VAL 106 27.010 -4.861 6.736 803 HG12 VAL 106 HG12 VAL 106 25.419 -4.819 5.972 804 HG13 VAL 106 HG13 VAL 106 26.868 -4.990 4.980 805 HG21 VAL 106 HG21 VAL 106 25.699 -8.293 7.489 806 HG22 VAL 106 HG22 VAL 106 24.705 -6.834 7.500 807 HG23 VAL 106 HG23 VAL 106 26.320 -6.808 8.215 808 H HIS 107 H HIS 107 24.416 -6.855 2.629 809 HA HIS 107 HA HIS 107 26.441 -7.362 0.771 810 HB2 HIS 107 HB3 HIS 107 24.442 -7.165 -0.362 811 HB3 HIS 107 HB2 HIS 107 23.796 -5.961 0.743 812 HD1 HIS 107 HD1 HIS 107 23.921 -3.547 0.033 813 HD2 HIS 107 HD2 HIS 107 26.035 -6.029 -2.535 814 HE1 HIS 107 HE1 HIS 107 24.548 -2.113 -1.907 815 HE2 HIS 107 HE2 HIS 107 25.745 -3.645 -3.488 816 H SER 108 H SER 108 25.522 -4.352 2.399 817 HA SER 108 HA SER 108 26.577 -2.454 2.918 818 HB2 SER 108 HB3 SER 108 28.285 -4.026 3.826 819 HB3 SER 108 HB2 SER 108 29.144 -3.960 2.289 820 HG SER 108 HG SER 108 29.990 -2.136 2.879 821 HA PRO 109 HA PRO 109 26.405 -0.887 -1.432 822 HB2 PRO 109 HB3 PRO 109 26.073 1.631 0.229 823 HB3 PRO 109 HB2 PRO 109 25.188 1.101 -1.222 824 HG2 PRO 109 HG3 PRO 109 24.041 0.852 1.138 825 HG3 PRO 109 HG2 PRO 109 23.909 -0.472 -0.046 826 HD2 PRO 109 HD3 PRO 109 25.676 -0.288 2.390 827 HD3 PRO 109 HD2 PRO 109 24.779 -1.683 1.742 828 H GLU 110 H GLU 110 28.257 0.593 1.217 829 HA GLU 110 HA GLU 110 30.524 1.194 -0.605 830 HB2 GLU 110 HB3 GLU 110 29.511 2.951 1.689 831 HB3 GLU 110 HB2 GLU 110 30.958 3.261 0.733 832 HG2 GLU 110 HG3 GLU 110 29.541 3.490 -1.301 833 HG3 GLU 110 HG2 GLU 110 28.106 3.248 -0.310 834 H ASP 111 H ASP 111 32.330 2.033 1.423 835 HA ASP 111 HA ASP 111 32.314 0.187 3.651 836 HB2 ASP 111 HB3 ASP 111 33.229 -1.296 1.856 837 HB3 ASP 111 HB2 ASP 111 34.500 -0.122 1.530 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 12.624 -29.674 -16.896 2 H2 GLY 1 H2 GLY 1 13.934 -28.951 -16.121 3 H3 GLY 1 H3 GLY 1 14.133 -29.632 -17.649 4 HA2 GLY 1 HA2 GLY 1 14.049 -27.238 -17.805 5 HA3 GLY 1 HA3 GLY 1 12.696 -27.990 -18.640 6 H THR 2 H THR 2 13.205 -25.298 -17.108 7 HA THR 2 HA THR 2 11.283 -25.248 -14.994 8 HB THR 2 HB THR 2 12.403 -22.902 -16.611 9 HG1 THR 2 HG1 THR 2 14.118 -23.027 -15.366 10 HG21 THR 2 HG21 THR 2 10.393 -22.285 -15.275 11 HG22 THR 2 HG22 THR 2 11.857 -21.546 -14.623 12 HG23 THR 2 HG23 THR 2 11.157 -22.957 -13.830 13 H ILE 3 H ILE 3 9.087 -25.318 -15.258 14 HA ILE 3 HA ILE 3 7.792 -24.796 -17.776 15 HB ILE 3 HB ILE 3 6.751 -26.431 -16.333 16 HG12 ILE 3 HG13 ILE 3 5.010 -23.927 -16.467 17 HG13 ILE 3 HG12 ILE 3 5.219 -25.109 -17.753 18 HG21 ILE 3 HG21 ILE 3 6.392 -24.291 -14.229 19 HG22 ILE 3 HG22 ILE 3 7.511 -25.647 -14.143 20 HG23 ILE 3 HG23 ILE 3 5.770 -25.941 -14.131 21 HD11 ILE 3 HD11 ILE 3 3.103 -25.421 -16.664 22 HD12 ILE 3 HD12 ILE 3 3.883 -25.578 -15.091 23 HD13 ILE 3 HD13 ILE 3 4.144 -26.806 -16.333 24 H ASP 4 H ASP 4 7.531 -22.831 -18.568 25 HA ASP 4 HA ASP 4 7.726 -20.400 -17.039 26 HB2 ASP 4 HB3 ASP 4 8.486 -20.711 -19.465 27 HB3 ASP 4 HB2 ASP 4 6.791 -20.725 -19.933 28 H TYR 5 H TYR 5 6.061 -20.070 -15.630 29 HA TYR 5 HA TYR 5 3.399 -20.994 -16.054 30 HB2 TYR 5 HB3 TYR 5 4.440 -20.725 -13.799 31 HB3 TYR 5 HB2 TYR 5 4.376 -18.975 -13.987 32 HD1 TYR 5 HD1 TYR 5 2.469 -17.846 -13.090 33 HD2 TYR 5 HD2 TYR 5 2.114 -21.982 -14.099 34 HE1 TYR 5 HE1 TYR 5 0.180 -17.872 -12.182 35 HE2 TYR 5 HE2 TYR 5 -0.168 -22.015 -13.194 36 HH TYR 5 HH TYR 5 -1.520 -20.729 -11.538 37 H GLN 6 H GLN 6 5.007 -17.949 -16.662 38 HA GLN 6 HA GLN 6 2.680 -16.303 -16.883 39 HB2 GLN 6 HB3 GLN 6 5.500 -15.830 -17.938 40 HB3 GLN 6 HB2 GLN 6 4.225 -14.615 -17.863 41 HG2 GLN 6 HG3 GLN 6 4.165 -14.957 -15.355 42 HG3 GLN 6 HG2 GLN 6 5.594 -15.973 -15.527 43 HE21 GLN 6 HE21 GLN 6 7.597 -14.976 -16.066 44 HE22 GLN 6 HE22 GLN 6 7.829 -13.269 -15.914 45 H ALA 7 H ALA 7 4.216 -18.523 -19.024 46 HA ALA 7 HA ALA 7 3.549 -17.668 -21.575 47 HB1 ALA 7 HB1 ALA 7 4.939 -19.640 -21.099 48 HB2 ALA 7 HB2 ALA 7 3.632 -20.053 -22.214 49 HB3 ALA 7 HB3 ALA 7 3.524 -20.510 -20.511 50 H LEU 8 H LEU 8 1.516 -19.185 -19.138 51 HA LEU 8 HA LEU 8 -0.862 -19.191 -20.809 52 HB2 LEU 8 HB3 LEU 8 -0.561 -19.667 -17.802 53 HB3 LEU 8 HB2 LEU 8 -2.049 -19.854 -18.706 54 HG LEU 8 HG LEU 8 -1.250 -22.063 -18.363 55 HD11 LEU 8 HD11 LEU 8 -0.818 -22.957 -20.587 56 HD12 LEU 8 HD12 LEU 8 -0.414 -21.347 -21.183 57 HD13 LEU 8 HD13 LEU 8 -2.056 -21.701 -20.641 58 HD21 LEU 8 HD21 LEU 8 1.035 -21.556 -17.648 59 HD22 LEU 8 HD22 LEU 8 1.507 -21.220 -19.314 60 HD23 LEU 8 HD23 LEU 8 1.026 -22.852 -18.845 61 H LYS 9 H LYS 9 -0.608 -16.933 -21.412 62 HA LYS 9 HA LYS 9 -1.281 -14.935 -19.338 63 HB2 LYS 9 HB3 LYS 9 0.753 -14.681 -20.946 64 HB3 LYS 9 HB2 LYS 9 -0.412 -14.366 -22.215 65 HG2 LYS 9 HG3 LYS 9 -0.159 -12.687 -19.691 66 HG3 LYS 9 HG2 LYS 9 0.659 -12.322 -21.208 67 HD2 LYS 9 HD3 LYS 9 -1.528 -12.059 -22.334 68 HD3 LYS 9 HD2 LYS 9 -2.357 -12.452 -20.828 69 HE2 LYS 9 HE3 LYS 9 -2.404 -10.068 -21.100 70 HE3 LYS 9 HE2 LYS 9 -1.281 -10.427 -19.789 71 HZ1 LYS 9 HZ1 LYS 9 0.555 -10.111 -21.309 72 HZ2 LYS 9 HZ2 LYS 9 -0.434 -8.742 -21.326 73 HZ3 LYS 9 HZ3 LYS 9 -0.504 -9.849 -22.599 74 H ARG 10 H ARG 10 -3.238 -14.011 -19.341 75 HA ARG 10 HA ARG 10 -4.885 -13.721 -21.694 76 HB2 ARG 10 HB3 ARG 10 -6.861 -14.918 -20.759 77 HB3 ARG 10 HB2 ARG 10 -5.509 -15.996 -21.069 78 HG2 ARG 10 HG3 ARG 10 -6.187 -16.809 -19.022 79 HG3 ARG 10 HG2 ARG 10 -5.003 -15.620 -18.485 80 HD2 ARG 10 HD3 ARG 10 -6.861 -14.004 -18.063 81 HD3 ARG 10 HD2 ARG 10 -8.017 -15.227 -18.590 82 HE ARG 10 HE ARG 10 -6.286 -15.947 -16.353 83 HH11 ARG 10 HH11 ARG 10 -9.448 -14.776 -17.400 84 HH12 ARG 10 HH12 ARG 10 -10.224 -15.151 -15.888 85 HH21 ARG 10 HH21 ARG 10 -7.298 -16.373 -14.375 86 HH22 ARG 10 HH22 ARG 10 -8.996 -16.063 -14.177 87 H ARG 11 H ARG 11 -6.880 -12.447 -21.177 88 HA ARG 11 HA ARG 11 -6.529 -10.614 -18.891 89 HB2 ARG 11 HB3 ARG 11 -8.170 -10.313 -21.448 90 HB3 ARG 11 HB2 ARG 11 -8.193 -9.149 -20.126 91 HG2 ARG 11 HG3 ARG 11 -5.787 -8.714 -20.464 92 HG3 ARG 11 HG2 ARG 11 -5.765 -9.878 -21.791 93 HD2 ARG 11 HD3 ARG 11 -7.448 -8.444 -22.996 94 HD3 ARG 11 HD2 ARG 11 -7.294 -7.250 -21.696 95 HE ARG 11 HE ARG 11 -4.724 -7.687 -22.542 96 HH11 ARG 11 HH11 ARG 11 -7.681 -6.642 -24.144 97 HH12 ARG 11 HH12 ARG 11 -6.839 -5.690 -25.331 98 HH21 ARG 11 HH21 ARG 11 -3.641 -6.433 -24.109 99 HH22 ARG 11 HH22 ARG 11 -4.562 -5.576 -25.305 100 H HIS 12 H HIS 12 -8.428 -9.966 -17.723 101 HA HIS 12 HA HIS 12 -10.721 -11.811 -17.686 102 HB2 HIS 12 HB3 HIS 12 -10.486 -12.151 -15.225 103 HB3 HIS 12 HB2 HIS 12 -9.134 -12.839 -16.116 104 HD1 HIS 12 HD1 HIS 12 -10.025 -10.031 -13.791 105 HD2 HIS 12 HD2 HIS 12 -6.645 -11.711 -15.507 106 HE1 HIS 12 HE1 HIS 12 -8.084 -8.972 -12.621 107 HE2 HIS 12 HE2 HIS 12 -6.072 -9.833 -13.846 108 H THR 13 H THR 13 -10.395 -9.157 -18.580 109 HA THR 13 HA THR 13 -11.682 -7.390 -16.628 110 HB THR 13 HB THR 13 -11.484 -5.713 -18.566 111 HG1 THR 13 HG1 THR 13 -11.305 -7.367 -20.226 112 HG21 THR 13 HG21 THR 13 -8.909 -7.013 -17.603 113 HG22 THR 13 HG22 THR 13 -9.797 -5.726 -16.781 114 HG23 THR 13 HG23 THR 13 -9.032 -5.415 -18.339 115 HA PRO 14 HA PRO 14 -15.554 -8.640 -18.825 116 HB2 PRO 14 HB3 PRO 14 -17.182 -8.875 -16.703 117 HB3 PRO 14 HB2 PRO 14 -15.881 -10.063 -16.936 118 HG2 PRO 14 HG3 PRO 14 -15.998 -7.753 -15.036 119 HG3 PRO 14 HG2 PRO 14 -15.344 -9.386 -14.782 120 HD2 PRO 14 HD3 PRO 14 -13.833 -7.099 -15.476 121 HD3 PRO 14 HD2 PRO 14 -13.279 -8.782 -15.572 122 H GLU 15 H GLU 15 -17.915 -7.562 -18.425 123 HA GLU 15 HA GLU 15 -17.641 -4.674 -18.486 124 HB2 GLU 15 HB3 GLU 15 -20.134 -6.436 -18.542 125 HB3 GLU 15 HB2 GLU 15 -20.134 -4.686 -18.763 126 HG2 GLU 15 HG3 GLU 15 -18.651 -4.990 -20.774 127 HG3 GLU 15 HG2 GLU 15 -18.807 -6.732 -20.570 128 H ALA 16 H ALA 16 -16.647 -4.447 -16.471 129 HA ALA 16 HA ALA 16 -18.112 -5.078 -14.003 130 HB1 ALA 16 HB1 ALA 16 -15.733 -5.741 -14.158 131 HB2 ALA 16 HB2 ALA 16 -15.966 -4.542 -12.885 132 HB3 ALA 16 HB3 ALA 16 -15.269 -4.057 -14.432 133 H GLU 17 H GLU 17 -18.104 -3.423 -12.271 134 HA GLU 17 HA GLU 17 -19.227 -0.941 -13.119 135 HB2 GLU 17 HB3 GLU 17 -18.861 -0.413 -10.501 136 HB3 GLU 17 HB2 GLU 17 -20.130 -1.473 -11.082 137 HG2 GLU 17 HG3 GLU 17 -19.040 -2.382 -9.078 138 HG3 GLU 17 HG2 GLU 17 -18.844 -3.442 -10.469 139 H ASN 18 H ASN 18 -16.029 -1.882 -12.072 140 HA ASN 18 HA ASN 18 -14.627 0.213 -13.294 141 HB2 ASN 18 HB3 ASN 18 -15.542 1.637 -11.460 142 HB3 ASN 18 HB2 ASN 18 -14.904 0.528 -10.251 143 HD21 ASN 18 HD21 ASN 18 -13.586 2.053 -9.267 144 HD22 ASN 18 HD22 ASN 18 -12.199 2.750 -10.023 145 HA PRO 19 HA PRO 19 -11.672 -3.280 -12.670 146 HB2 PRO 19 HB3 PRO 19 -9.753 -1.090 -13.491 147 HB3 PRO 19 HB2 PRO 19 -9.862 -2.768 -14.074 148 HG2 PRO 19 HG3 PRO 19 -10.811 -0.801 -15.578 149 HG3 PRO 19 HG2 PRO 19 -11.723 -2.323 -15.437 150 HD2 PRO 19 HD3 PRO 19 -12.265 0.332 -14.125 151 HD3 PRO 19 HD2 PRO 19 -13.411 -0.864 -14.778 152 H ALA 20 H ALA 20 -11.650 -3.586 -10.485 153 HA ALA 20 HA ALA 20 -9.556 -2.391 -8.890 154 HB1 ALA 20 HB1 ALA 20 -11.372 -0.726 -8.618 155 HB2 ALA 20 HB2 ALA 20 -11.023 -1.553 -7.101 156 HB3 ALA 20 HB3 ALA 20 -12.456 -1.992 -8.034 157 H GLU 21 H GLU 21 -12.625 -4.217 -8.394 158 HA GLU 21 HA GLU 21 -11.756 -5.831 -6.283 159 HB2 GLU 21 HB3 GLU 21 -13.663 -7.366 -6.945 160 HB3 GLU 21 HB2 GLU 21 -14.102 -5.679 -6.710 161 HG2 GLU 21 HG3 GLU 21 -14.201 -5.297 -9.116 162 HG3 GLU 21 HG2 GLU 21 -13.579 -6.914 -9.433 163 H ALA 22 H ALA 22 -11.744 -6.575 -9.765 164 HA ALA 22 HA ALA 22 -10.555 -9.188 -9.519 165 HB1 ALA 22 HB1 ALA 22 -12.077 -8.610 -11.369 166 HB2 ALA 22 HB2 ALA 22 -10.503 -9.111 -11.993 167 HB3 ALA 22 HB3 ALA 22 -10.937 -7.396 -11.949 168 H ASP 23 H ASP 23 -9.395 -5.998 -9.595 169 HA ASP 23 HA ASP 23 -6.763 -6.606 -10.750 170 HB2 ASP 23 HB3 ASP 23 -8.113 -3.946 -10.054 171 HB3 ASP 23 HB2 ASP 23 -6.562 -4.119 -10.869 172 H LEU 24 H LEU 24 -7.884 -7.145 -7.896 173 HA LEU 24 HA LEU 24 -6.599 -5.643 -5.952 174 HB2 LEU 24 HB3 LEU 24 -8.356 -7.434 -5.602 175 HB3 LEU 24 HB2 LEU 24 -7.124 -8.649 -5.897 176 HG LEU 24 HG LEU 24 -5.882 -7.777 -3.860 177 HD11 LEU 24 HD11 LEU 24 -7.086 -6.389 -2.233 178 HD12 LEU 24 HD12 LEU 24 -8.406 -6.176 -3.384 179 HD13 LEU 24 HD13 LEU 24 -6.805 -5.532 -3.747 180 HD21 LEU 24 HD21 LEU 24 -7.257 -9.793 -3.708 181 HD22 LEU 24 HD22 LEU 24 -8.682 -8.821 -3.341 182 HD23 LEU 24 HD23 LEU 24 -7.330 -8.871 -2.206 183 HA PRO 25 HA PRO 25 -2.194 -6.679 -6.667 184 HB2 PRO 25 HB3 PRO 25 -1.847 -5.783 -3.814 185 HB3 PRO 25 HB2 PRO 25 -1.057 -5.185 -5.287 186 HG2 PRO 25 HG3 PRO 25 -2.910 -3.707 -4.094 187 HG3 PRO 25 HG2 PRO 25 -2.856 -3.808 -5.871 188 HD2 PRO 25 HD3 PRO 25 -4.676 -5.276 -3.959 189 HD3 PRO 25 HD2 PRO 25 -5.078 -4.433 -5.478 190 H GLN 26 H GLN 26 -1.399 -8.699 -6.564 191 HA GLN 26 HA GLN 26 -2.039 -10.453 -4.257 192 HB2 GLN 26 HB3 GLN 26 -2.011 -11.206 -7.211 193 HB3 GLN 26 HB2 GLN 26 -2.315 -12.308 -5.873 194 HG2 GLN 26 HG3 GLN 26 -4.414 -11.316 -5.387 195 HG3 GLN 26 HG2 GLN 26 -4.066 -9.902 -6.373 196 HE21 GLN 26 HE21 GLN 26 -5.025 -13.250 -6.425 197 HE22 GLN 26 HE22 GLN 26 -5.566 -13.274 -8.063 198 H GLY 27 H GLY 27 -0.181 -10.733 -3.243 199 HA2 GLY 27 HA3 GLY 27 2.027 -12.043 -3.639 200 HA3 GLY 27 HA2 GLY 27 2.402 -10.668 -4.689 201 H ASP 28 H ASP 28 3.626 -11.581 -2.114 202 HA ASP 28 HA ASP 28 2.890 -10.130 0.127 203 HB2 ASP 28 HB3 ASP 28 5.699 -10.992 -0.722 204 HB3 ASP 28 HB2 ASP 28 5.291 -10.418 0.897 205 H ILE 29 H ILE 29 5.024 -9.125 -2.510 206 HA ILE 29 HA ILE 29 5.909 -6.691 -1.315 207 HB ILE 29 HB ILE 29 5.949 -7.477 -4.268 208 HG12 ILE 29 HG13 ILE 29 7.143 -9.148 -2.936 209 HG13 ILE 29 HG12 ILE 29 8.308 -8.189 -3.841 210 HG21 ILE 29 HG21 ILE 29 6.295 -5.064 -3.970 211 HG22 ILE 29 HG22 ILE 29 7.791 -5.841 -4.488 212 HG23 ILE 29 HG23 ILE 29 7.580 -5.372 -2.799 213 HD11 ILE 29 HD11 ILE 29 7.661 -7.919 -0.902 214 HD12 ILE 29 HD12 ILE 29 8.794 -6.895 -1.793 215 HD13 ILE 29 HD13 ILE 29 9.112 -8.618 -1.618 216 H GLU 30 H GLU 30 3.448 -7.438 -3.823 217 HA GLU 30 HA GLU 30 2.668 -4.750 -4.298 218 HB2 GLU 30 HB3 GLU 30 1.122 -7.336 -4.777 219 HB3 GLU 30 HB2 GLU 30 0.616 -5.754 -5.355 220 HG2 GLU 30 HG3 GLU 30 1.597 -6.584 -7.255 221 HG3 GLU 30 HG2 GLU 30 2.970 -5.745 -6.548 222 H LYS 31 H LYS 31 1.638 -7.160 -1.963 223 HA LYS 31 HA LYS 31 -0.738 -5.818 -1.071 224 HB2 LYS 31 HB3 LYS 31 -0.487 -8.258 -0.892 225 HB3 LYS 31 HB2 LYS 31 0.908 -8.091 0.154 226 HG2 LYS 31 HG3 LYS 31 -1.680 -6.880 1.097 227 HG3 LYS 31 HG2 LYS 31 -1.557 -8.641 1.101 228 HD2 LYS 31 HD3 LYS 31 0.414 -8.533 2.557 229 HD3 LYS 31 HD2 LYS 31 0.404 -6.768 2.486 230 HE2 LYS 31 HE3 LYS 31 -1.769 -6.725 3.641 231 HE3 LYS 31 HE2 LYS 31 -1.795 -8.488 3.681 232 HZ1 LYS 31 HZ1 LYS 31 -1.067 -7.555 5.783 233 HZ2 LYS 31 HZ2 LYS 31 0.221 -6.765 5.030 234 HZ3 LYS 31 HZ3 LYS 31 0.177 -8.455 5.077 235 H GLN 32 H GLN 32 2.658 -5.943 -0.044 236 HA GLN 32 HA GLN 32 2.527 -4.431 2.323 237 HB2 GLN 32 HB3 GLN 32 4.525 -5.723 1.677 238 HB3 GLN 32 HB2 GLN 32 4.761 -4.703 0.266 239 HG2 GLN 32 HG3 GLN 32 6.374 -4.103 1.977 240 HG3 GLN 32 HG2 GLN 32 5.239 -2.773 1.752 241 HE21 GLN 32 HE21 GLN 32 5.764 -1.938 3.822 242 HE22 GLN 32 HE22 GLN 32 5.205 -2.687 5.274 243 H VAL 33 H VAL 33 3.162 -3.463 -1.039 244 HA VAL 33 HA VAL 33 3.410 -0.674 -0.601 245 HB VAL 33 HB VAL 33 2.718 -2.193 -3.168 246 HG11 VAL 33 HG11 VAL 33 3.764 0.645 -2.859 247 HG12 VAL 33 HG12 VAL 33 2.140 0.195 -3.385 248 HG13 VAL 33 HG13 VAL 33 3.536 -0.210 -4.387 249 HG21 VAL 33 HG21 VAL 33 5.418 -1.213 -2.167 250 HG22 VAL 33 HG22 VAL 33 5.117 -2.041 -3.699 251 HG23 VAL 33 HG23 VAL 33 4.874 -2.891 -2.172 252 H ALA 34 H ALA 34 0.667 -2.749 -1.491 253 HA ALA 34 HA ALA 34 -1.262 -0.802 -2.069 254 HB1 ALA 34 HB1 ALA 34 -2.937 -2.551 -1.656 255 HB2 ALA 34 HB2 ALA 34 -1.714 -3.563 -0.876 256 HB3 ALA 34 HB3 ALA 34 -1.585 -3.180 -2.596 257 H ALA 35 H ALA 35 -0.547 -2.487 0.988 258 HA ALA 35 HA ALA 35 -2.451 -1.250 2.623 259 HB1 ALA 35 HB1 ALA 35 -1.067 -2.036 4.498 260 HB2 ALA 35 HB2 ALA 35 0.266 -2.362 3.384 261 HB3 ALA 35 HB3 ALA 35 -1.239 -3.279 3.262 262 H LEU 36 H LEU 36 0.917 -0.336 1.878 263 HA LEU 36 HA LEU 36 1.102 1.847 3.675 264 HB2 LEU 36 HB3 LEU 36 2.708 1.132 1.193 265 HB3 LEU 36 HB2 LEU 36 3.111 2.501 2.220 266 HG LEU 36 HG LEU 36 3.053 -0.401 3.142 267 HD11 LEU 36 HD11 LEU 36 5.441 1.374 2.570 268 HD12 LEU 36 HD12 LEU 36 4.904 -0.000 1.601 269 HD13 LEU 36 HD13 LEU 36 5.493 -0.259 3.242 270 HD21 LEU 36 HD21 LEU 36 2.498 1.113 4.966 271 HD22 LEU 36 HD22 LEU 36 3.926 2.094 4.627 272 HD23 LEU 36 HD23 LEU 36 4.109 0.435 5.201 273 H TRP 37 H TRP 37 0.065 1.687 0.269 274 HA TRP 37 HA TRP 37 -0.214 4.505 -0.141 275 HB2 TRP 37 HB3 TRP 37 -1.507 2.115 -1.513 276 HB3 TRP 37 HB2 TRP 37 -1.891 3.765 -1.977 277 HD1 TRP 37 HD1 TRP 37 1.776 2.992 -1.209 278 HE1 TRP 37 HE1 TRP 37 3.100 3.031 -3.410 279 HE3 TRP 37 HE3 TRP 37 -2.114 3.287 -4.510 280 HZ2 TRP 37 HZ2 TRP 37 2.588 3.157 -6.165 281 HZ3 TRP 37 HZ3 TRP 37 -1.614 3.359 -6.916 282 HH2 TRP 37 HH2 TRP 37 0.692 3.296 -7.727 283 H GLN 38 H GLN 38 -2.352 2.013 1.175 284 HA GLN 38 HA GLN 38 -4.688 3.672 1.378 285 HB2 GLN 38 HB3 GLN 38 -4.009 1.002 2.678 286 HB3 GLN 38 HB2 GLN 38 -5.594 1.772 2.770 287 HG2 GLN 38 HG3 GLN 38 -5.833 1.639 0.334 288 HG3 GLN 38 HG2 GLN 38 -4.215 0.961 0.197 289 HE21 GLN 38 HE21 GLN 38 -4.908 -0.914 -0.823 290 HE22 GLN 38 HE22 GLN 38 -5.821 -2.139 -0.014 291 H GLN 39 H GLN 39 -1.879 3.292 3.338 292 HA GLN 39 HA GLN 39 -3.028 4.476 5.737 293 HB2 GLN 39 HB3 GLN 39 -0.125 3.885 4.992 294 HB3 GLN 39 HB2 GLN 39 -0.673 4.427 6.572 295 HG2 GLN 39 HG3 GLN 39 -1.399 1.806 5.252 296 HG3 GLN 39 HG2 GLN 39 -0.219 2.018 6.536 297 HE21 GLN 39 HE21 GLN 39 -1.838 3.881 8.088 298 HE22 GLN 39 HE22 GLN 39 -3.105 2.937 8.784 299 H LEU 40 H LEU 40 -0.511 5.439 3.359 300 HA LEU 40 HA LEU 40 -0.143 8.076 4.330 301 HB2 LEU 40 HB3 LEU 40 0.710 6.544 1.867 302 HB3 LEU 40 HB2 LEU 40 0.970 8.275 1.913 303 HG LEU 40 HG LEU 40 2.982 7.013 2.568 304 HD11 LEU 40 HD11 LEU 40 1.868 8.658 4.863 305 HD12 LEU 40 HD12 LEU 40 2.688 9.291 3.433 306 HD13 LEU 40 HD13 LEU 40 3.569 8.283 4.575 307 HD21 LEU 40 HD21 LEU 40 2.023 5.039 3.609 308 HD22 LEU 40 HD22 LEU 40 1.384 6.003 4.940 309 HD23 LEU 40 HD23 LEU 40 3.127 5.826 4.737 310 H LEU 41 H LEU 41 -1.732 6.942 1.304 311 HA LEU 41 HA LEU 41 -2.787 9.544 0.664 312 HB2 LEU 41 HB3 LEU 41 -3.547 6.837 -0.488 313 HB3 LEU 41 HB2 LEU 41 -3.952 8.394 -1.187 314 HG LEU 41 HG LEU 41 -1.149 7.298 -0.906 315 HD11 LEU 41 HD11 LEU 41 -2.417 5.987 -2.526 316 HD12 LEU 41 HD12 LEU 41 -1.169 6.943 -3.320 317 HD13 LEU 41 HD13 LEU 41 -2.856 7.460 -3.396 318 HD21 LEU 41 HD21 LEU 41 -0.499 9.168 -2.378 319 HD22 LEU 41 HD22 LEU 41 -1.156 9.727 -0.844 320 HD23 LEU 41 HD23 LEU 41 -2.149 9.792 -2.304 321 H SER 42 H SER 42 -3.775 7.067 2.772 322 HA SER 42 HA SER 42 -5.530 6.752 4.157 323 HB2 SER 42 HB3 SER 42 -6.423 9.552 3.302 324 HB3 SER 42 HB2 SER 42 -6.931 8.695 4.760 325 HG SER 42 HG SER 42 -4.298 9.556 4.119 326 H THR 43 H THR 43 -5.742 5.515 1.751 327 HA THR 43 HA THR 43 -8.369 6.088 0.541 328 HB THR 43 HB THR 43 -7.621 4.706 -1.354 329 HG1 THR 43 HG1 THR 43 -6.367 3.178 -0.199 330 HG21 THR 43 HG21 THR 43 -5.456 6.632 -0.453 331 HG22 THR 43 HG22 THR 43 -6.868 7.038 -1.428 332 HG23 THR 43 HG23 THR 43 -5.611 5.991 -2.088 333 H GLY 44 H GLY 44 -9.866 4.393 0.107 334 HA2 GLY 44 HA3 GLY 44 -10.137 2.386 2.145 335 HA3 GLY 44 HA2 GLY 44 -11.171 2.600 0.734 336 H ASN 45 H ASN 45 -9.522 2.287 -1.371 337 HA ASN 45 HA ASN 45 -7.981 -0.193 -1.067 338 HB2 ASN 45 HB3 ASN 45 -9.107 -1.332 -2.890 339 HB3 ASN 45 HB2 ASN 45 -10.345 -0.846 -1.739 340 HD21 ASN 45 HD21 ASN 45 -11.655 1.030 -2.290 341 HD22 ASN 45 HD22 ASN 45 -11.919 1.425 -3.951 342 H VAL 46 H VAL 46 -6.299 -0.341 -2.466 343 HA VAL 46 HA VAL 46 -6.235 1.288 -4.920 344 HB VAL 46 HB VAL 46 -3.694 1.494 -4.629 345 HG11 VAL 46 HG11 VAL 46 -3.793 3.518 -3.232 346 HG12 VAL 46 HG12 VAL 46 -5.396 3.053 -2.650 347 HG13 VAL 46 HG13 VAL 46 -5.154 3.449 -4.354 348 HG21 VAL 46 HG21 VAL 46 -3.431 -0.184 -2.845 349 HG22 VAL 46 HG22 VAL 46 -4.326 0.850 -1.730 350 HG23 VAL 46 HG23 VAL 46 -2.768 1.374 -2.362 351 H THR 47 H THR 47 -5.322 0.170 -6.660 352 HA THR 47 HA THR 47 -4.871 -2.725 -6.258 353 HB THR 47 HB THR 47 -6.269 -3.138 -8.285 354 HG1 THR 47 HG1 THR 47 -7.153 -0.452 -8.026 355 HG21 THR 47 HG21 THR 47 -8.466 -2.736 -7.210 356 HG22 THR 47 HG22 THR 47 -7.694 -1.669 -6.041 357 HG23 THR 47 HG23 THR 47 -7.292 -3.388 -6.067 358 H ARG 48 H ARG 48 -4.307 -3.655 -8.631 359 HA ARG 48 HA ARG 48 -1.610 -3.204 -8.883 360 HB2 ARG 48 HB3 ARG 48 -3.549 -4.351 -10.930 361 HB3 ARG 48 HB2 ARG 48 -1.800 -4.461 -11.092 362 HG2 ARG 48 HG3 ARG 48 -1.633 -5.889 -9.161 363 HG3 ARG 48 HG2 ARG 48 -3.332 -5.626 -8.745 364 HD2 ARG 48 HD3 ARG 48 -4.047 -6.783 -10.781 365 HD3 ARG 48 HD2 ARG 48 -2.376 -6.947 -11.316 366 HE ARG 48 HE ARG 48 -3.776 -8.564 -9.347 367 HH11 ARG 48 HH11 ARG 48 -0.621 -7.668 -10.638 368 HH12 ARG 48 HH12 ARG 48 0.143 -9.122 -10.073 369 HH21 ARG 48 HH21 ARG 48 -2.769 -10.531 -8.782 370 HH22 ARG 48 HH22 ARG 48 -1.061 -10.722 -9.038 371 H GLU 49 H GLU 49 -4.164 -1.933 -11.094 372 HA GLU 49 HA GLU 49 -2.133 -0.295 -12.474 373 HB2 GLU 49 HB3 GLU 49 -3.621 -1.871 -13.810 374 HB3 GLU 49 HB2 GLU 49 -4.968 -0.796 -13.455 375 HG2 GLU 49 HG3 GLU 49 -3.866 1.037 -14.649 376 HG3 GLU 49 HG2 GLU 49 -2.427 0.055 -14.896 377 H THR 50 H THR 50 -3.932 0.160 -9.855 378 HA THR 50 HA THR 50 -4.820 2.869 -10.246 379 HB THR 50 HB THR 50 -3.979 1.445 -7.680 380 HG1 THR 50 HG1 THR 50 -6.188 1.294 -9.231 381 HG21 THR 50 HG21 THR 50 -3.872 3.910 -7.390 382 HG22 THR 50 HG22 THR 50 -5.221 3.221 -6.483 383 HG23 THR 50 HG23 THR 50 -5.521 4.054 -8.008 384 H ASP 51 H ASP 51 -3.570 4.625 -10.420 385 HA ASP 51 HA ASP 51 -0.658 4.474 -10.012 386 HB2 ASP 51 HB3 ASP 51 -2.368 6.692 -11.213 387 HB3 ASP 51 HB2 ASP 51 -0.611 6.701 -11.120 388 H PHE 52 H PHE 52 0.399 5.727 -8.527 389 HA PHE 52 HA PHE 52 -0.810 6.527 -6.139 390 HB2 PHE 52 HB3 PHE 52 1.633 5.963 -6.478 391 HB3 PHE 52 HB2 PHE 52 1.847 7.496 -7.303 392 HD1 PHE 52 HD1 PHE 52 1.995 9.590 -6.037 393 HD2 PHE 52 HD2 PHE 52 1.247 5.876 -4.051 394 HE1 PHE 52 HE1 PHE 52 2.463 10.649 -3.867 395 HE2 PHE 52 HE2 PHE 52 1.706 6.945 -1.890 396 HZ PHE 52 HZ PHE 52 2.307 9.328 -1.798 397 H PHE 53 H PHE 53 0.214 8.377 -8.966 398 HA PHE 53 HA PHE 53 -0.361 10.960 -7.853 399 HB2 PHE 53 HB3 PHE 53 0.380 10.153 -10.696 400 HB3 PHE 53 HB2 PHE 53 0.389 11.798 -10.065 401 HD1 PHE 53 HD1 PHE 53 2.096 12.473 -8.353 402 HD2 PHE 53 HD2 PHE 53 2.209 8.615 -10.206 403 HE1 PHE 53 HE1 PHE 53 4.410 12.154 -7.575 404 HE2 PHE 53 HE2 PHE 53 4.524 8.312 -9.425 405 HZ PHE 53 HZ PHE 53 5.624 10.077 -8.107 406 H GLN 54 H GLN 54 -1.966 8.739 -10.093 407 HA GLN 54 HA GLN 54 -4.101 10.481 -10.858 408 HB2 GLN 54 HB3 GLN 54 -3.483 8.515 -12.193 409 HB3 GLN 54 HB2 GLN 54 -3.940 7.445 -10.874 410 HG2 GLN 54 HG3 GLN 54 -5.676 7.374 -12.526 411 HG3 GLN 54 HG2 GLN 54 -6.313 8.242 -11.135 412 HE21 GLN 54 HE21 GLN 54 -5.275 8.497 -14.444 413 HE22 GLN 54 HE22 GLN 54 -5.921 10.076 -14.746 414 H GLN 55 H GLN 55 -3.552 8.314 -8.148 415 HA GLN 55 HA GLN 55 -6.208 8.271 -7.096 416 HB2 GLN 55 HB3 GLN 55 -4.418 6.592 -6.521 417 HB3 GLN 55 HB2 GLN 55 -3.551 7.838 -5.630 418 HG2 GLN 55 HG3 GLN 55 -4.741 6.472 -4.041 419 HG3 GLN 55 HG2 GLN 55 -5.534 8.046 -4.102 420 HE21 GLN 55 HE21 GLN 55 -7.523 7.359 -3.392 421 HE22 GLN 55 HE22 GLN 55 -8.535 6.271 -4.272 422 H GLY 56 H GLY 56 -3.710 10.654 -7.104 423 HA2 GLY 56 HA3 GLY 56 -4.494 12.946 -6.604 424 HA3 GLY 56 HA2 GLY 56 -5.183 12.319 -5.111 425 H GLY 57 H GLY 57 -2.330 10.686 -5.588 426 HA2 GLY 57 HA3 GLY 57 -0.912 12.092 -3.504 427 HA3 GLY 57 HA2 GLY 57 -0.357 10.680 -4.395 428 H ASP 58 H ASP 58 1.388 12.677 -3.764 429 HA ASP 58 HA ASP 58 2.127 13.839 -6.382 430 HB2 ASP 58 HB3 ASP 58 1.020 15.689 -5.311 431 HB3 ASP 58 HB2 ASP 58 1.741 15.327 -3.754 432 H SER 59 H SER 59 4.451 14.594 -6.330 433 HA SER 59 HA SER 59 6.122 12.474 -5.676 434 HB2 SER 59 HB3 SER 59 7.980 14.090 -6.309 435 HB3 SER 59 HB2 SER 59 6.677 13.948 -7.486 436 HG SER 59 HG SER 59 7.531 16.143 -6.668 437 H LEU 60 H LEU 60 5.367 15.339 -3.741 438 HA LEU 60 HA LEU 60 7.457 15.066 -1.823 439 HB2 LEU 60 HB3 LEU 60 6.101 17.146 -2.224 440 HB3 LEU 60 HB2 LEU 60 4.707 16.371 -1.509 441 HG LEU 60 HG LEU 60 5.999 18.082 -0.072 442 HD11 LEU 60 HD11 LEU 60 5.541 15.372 1.181 443 HD12 LEU 60 HD12 LEU 60 4.332 16.627 0.930 444 HD13 LEU 60 HD13 LEU 60 5.675 16.915 2.033 445 HD21 LEU 60 HD21 LEU 60 7.985 15.809 0.227 446 HD22 LEU 60 HD22 LEU 60 7.978 17.322 1.140 447 HD23 LEU 60 HD23 LEU 60 8.272 17.342 -0.596 448 H LEU 61 H LEU 61 4.028 14.080 -1.815 449 HA LEU 61 HA LEU 61 4.016 12.580 0.585 450 HB2 LEU 61 HB3 LEU 61 2.076 13.490 -1.054 451 HB3 LEU 61 HB2 LEU 61 2.167 11.869 -1.706 452 HG LEU 61 HG LEU 61 1.582 12.500 1.221 453 HD11 LEU 61 HD11 LEU 61 -0.213 13.384 -0.167 454 HD12 LEU 61 HD12 LEU 61 -0.768 11.972 0.727 455 HD13 LEU 61 HD13 LEU 61 -0.385 11.831 -0.992 456 HD21 LEU 61 HD21 LEU 61 1.285 9.904 -0.313 457 HD22 LEU 61 HD22 LEU 61 0.797 10.176 1.364 458 HD23 LEU 61 HD23 LEU 61 2.499 10.260 0.916 459 H ALA 62 H ALA 62 5.028 11.865 -2.671 460 HA ALA 62 HA ALA 62 5.039 8.999 -2.497 461 HB1 ALA 62 HB1 ALA 62 4.714 10.141 -4.629 462 HB2 ALA 62 HB2 ALA 62 6.154 9.126 -4.689 463 HB3 ALA 62 HB3 ALA 62 6.311 10.878 -4.515 464 H THR 63 H THR 63 7.379 11.588 -1.919 465 HA THR 63 HA THR 63 9.688 9.931 -1.590 466 HB THR 63 HB THR 63 9.060 12.714 -0.483 467 HG1 THR 63 HG1 THR 63 9.372 12.030 -2.927 468 HG21 THR 63 HG21 THR 63 11.509 12.988 -0.224 469 HG22 THR 63 HG22 THR 63 11.755 11.309 -0.707 470 HG23 THR 63 HG23 THR 63 10.917 11.679 0.801 471 H ARG 64 H ARG 64 6.999 10.865 0.466 472 HA ARG 64 HA ARG 64 8.098 9.846 2.934 473 HB2 ARG 64 HB3 ARG 64 5.203 10.556 2.311 474 HB3 ARG 64 HB2 ARG 64 5.927 10.381 3.908 475 HG2 ARG 64 HG3 ARG 64 7.524 12.322 3.092 476 HG3 ARG 64 HG2 ARG 64 6.252 12.609 1.907 477 HD2 ARG 64 HD3 ARG 64 4.621 12.906 3.757 478 HD3 ARG 64 HD2 ARG 64 5.913 12.633 4.928 479 HE ARG 64 HE ARG 64 5.334 15.048 3.512 480 HH11 ARG 64 HH11 ARG 64 8.035 13.262 4.946 481 HH12 ARG 64 HH12 ARG 64 9.003 14.692 5.155 482 HH21 ARG 64 HH21 ARG 64 6.651 16.876 3.782 483 HH22 ARG 64 HH22 ARG 64 8.222 16.704 4.500 484 H LEU 65 H LEU 65 5.976 8.711 0.398 485 HA LEU 65 HA LEU 65 5.069 6.319 1.625 486 HB2 LEU 65 HB3 LEU 65 3.940 7.484 -0.293 487 HB3 LEU 65 HB2 LEU 65 5.263 7.027 -1.344 488 HG LEU 65 HG LEU 65 3.072 5.655 -1.498 489 HD11 LEU 65 HD11 LEU 65 5.142 4.888 -2.565 490 HD12 LEU 65 HD12 LEU 65 4.170 3.546 -1.974 491 HD13 LEU 65 HD13 LEU 65 5.606 4.057 -1.083 492 HD21 LEU 65 HD21 LEU 65 4.119 4.385 1.052 493 HD22 LEU 65 HD22 LEU 65 2.724 3.858 0.106 494 HD23 LEU 65 HD23 LEU 65 2.691 5.415 0.927 495 H THR 66 H THR 66 7.601 6.976 -0.823 496 HA THR 66 HA THR 66 8.749 4.413 -0.937 497 HB THR 66 HB THR 66 10.819 5.620 -1.763 498 HG1 THR 66 HG1 THR 66 9.676 8.054 -2.010 499 HG21 THR 66 HG21 THR 66 9.060 5.008 -3.382 500 HG22 THR 66 HG22 THR 66 9.800 6.549 -3.819 501 HG23 THR 66 HG23 THR 66 8.211 6.521 -3.049 502 H GLY 67 H GLY 67 9.253 7.133 1.220 503 HA2 GLY 67 HA3 GLY 67 11.340 6.357 2.852 504 HA3 GLY 67 HA2 GLY 67 9.939 7.270 3.392 505 H GLN 68 H GLN 68 7.940 5.349 3.056 506 HA GLN 68 HA GLN 68 8.151 3.770 5.407 507 HB2 GLN 68 HB3 GLN 68 6.158 3.647 3.109 508 HB3 GLN 68 HB2 GLN 68 5.973 2.770 4.625 509 HG2 GLN 68 HG3 GLN 68 6.111 5.789 4.367 510 HG3 GLN 68 HG2 GLN 68 4.635 4.847 4.559 511 HE21 GLN 68 HE21 GLN 68 5.854 6.948 6.283 512 HE22 GLN 68 HE22 GLN 68 6.015 6.223 7.844 513 H LEU 69 H LEU 69 8.398 2.963 1.934 514 HA LEU 69 HA LEU 69 8.793 0.194 2.212 515 HB2 LEU 69 HB3 LEU 69 9.622 2.136 0.044 516 HB3 LEU 69 HB2 LEU 69 10.115 0.457 -0.037 517 HG LEU 69 HG LEU 69 8.189 0.686 -1.438 518 HD11 LEU 69 HD11 LEU 69 7.256 -0.638 1.131 519 HD12 LEU 69 HD12 LEU 69 8.247 -1.385 -0.126 520 HD13 LEU 69 HD13 LEU 69 6.598 -0.893 -0.490 521 HD21 LEU 69 HD21 LEU 69 7.283 2.782 -0.570 522 HD22 LEU 69 HD22 LEU 69 6.677 1.952 0.863 523 HD23 LEU 69 HD23 LEU 69 6.020 1.562 -0.731 524 H HIS 70 H HIS 70 11.054 2.890 2.472 525 HA HIS 70 HA HIS 70 13.511 1.554 2.429 526 HB2 HIS 70 HB3 HIS 70 12.699 4.099 3.897 527 HB3 HIS 70 HB2 HIS 70 14.357 3.520 3.850 528 HD1 HIS 70 HD1 HIS 70 12.767 6.119 2.424 529 HD2 HIS 70 HD2 HIS 70 14.724 2.903 0.721 530 HE1 HIS 70 HE1 HIS 70 13.381 6.863 0.111 531 HE2 HIS 70 HE2 HIS 70 14.769 4.974 -0.794 532 H GLN 71 H GLN 71 11.220 2.030 5.050 533 HA GLN 71 HA GLN 71 12.894 0.853 7.115 534 HB2 GLN 71 HB3 GLN 71 9.955 1.656 7.188 535 HB3 GLN 71 HB2 GLN 71 10.964 1.272 8.586 536 HG2 GLN 71 HG3 GLN 71 12.393 3.227 8.113 537 HG3 GLN 71 HG2 GLN 71 11.416 3.601 6.692 538 HE21 GLN 71 HE21 GLN 71 11.488 3.597 10.198 539 HE22 GLN 71 HE22 GLN 71 10.092 4.596 10.407 540 H ALA 72 H ALA 72 10.400 -0.187 4.905 541 HA ALA 72 HA ALA 72 9.856 -2.744 6.085 542 HB1 ALA 72 HB1 ALA 72 9.498 -1.820 3.201 543 HB2 ALA 72 HB2 ALA 72 8.297 -1.698 4.489 544 HB3 ALA 72 HB3 ALA 72 8.809 -3.283 3.914 545 H GLY 73 H GLY 73 12.572 -1.479 4.437 546 HA2 GLY 73 HA3 GLY 73 14.657 -2.599 4.328 547 HA3 GLY 73 HA2 GLY 73 13.830 -4.147 4.289 548 H TYR 74 H TYR 74 12.530 -1.741 2.219 549 HA TYR 74 HA TYR 74 14.025 -2.738 -0.139 550 HB2 TYR 74 HB3 TYR 74 11.047 -2.074 0.178 551 HB3 TYR 74 HB2 TYR 74 11.814 -2.094 -1.410 552 HD1 TYR 74 HD1 TYR 74 12.181 -4.147 -2.558 553 HD2 TYR 74 HD2 TYR 74 11.135 -4.249 1.592 554 HE1 TYR 74 HE1 TYR 74 11.966 -6.580 -2.669 555 HE2 TYR 74 HE2 TYR 74 10.913 -6.701 1.468 556 HH TYR 74 HH TYR 74 11.756 -8.475 -1.466 557 H GLU 75 H GLU 75 15.269 -1.173 -1.037 558 HA GLU 75 HA GLU 75 14.887 1.587 -0.359 559 HB2 GLU 75 HB3 GLU 75 16.808 2.044 -1.873 560 HB3 GLU 75 HB2 GLU 75 17.171 0.874 -0.615 561 HG2 GLU 75 HG3 GLU 75 17.382 -0.893 -2.104 562 HG3 GLU 75 HG2 GLU 75 16.337 -0.153 -3.309 563 H ALA 76 H ALA 76 13.190 2.559 -1.172 564 HA ALA 76 HA ALA 76 12.448 2.282 -4.010 565 HB1 ALA 76 HB1 ALA 76 10.810 3.241 -1.645 566 HB2 ALA 76 HB2 ALA 76 10.679 1.671 -2.438 567 HB3 ALA 76 HB3 ALA 76 10.241 3.139 -3.315 568 H GLN 77 H GLN 77 13.029 3.935 -5.250 569 HA GLN 77 HA GLN 77 13.769 6.533 -4.078 570 HB2 GLN 77 HB3 GLN 77 14.116 5.608 -6.967 571 HB3 GLN 77 HB2 GLN 77 14.909 6.969 -6.182 572 HG2 GLN 77 HG3 GLN 77 15.397 4.028 -5.613 573 HG3 GLN 77 HG2 GLN 77 16.481 5.116 -6.472 574 HE21 GLN 77 HE21 GLN 77 16.942 3.491 -4.062 575 HE22 GLN 77 HE22 GLN 77 17.441 4.601 -2.833 576 H LEU 78 H LEU 78 12.952 8.496 -5.114 577 HA LEU 78 HA LEU 78 10.169 8.473 -5.650 578 HB2 LEU 78 HB3 LEU 78 11.316 10.458 -4.704 579 HB3 LEU 78 HB2 LEU 78 12.210 10.663 -6.203 580 HG LEU 78 HG LEU 78 10.107 11.183 -7.414 581 HD11 LEU 78 HD11 LEU 78 8.555 9.805 -6.130 582 HD12 LEU 78 HD12 LEU 78 7.992 11.471 -6.226 583 HD13 LEU 78 HD13 LEU 78 8.727 10.876 -4.736 584 HD21 LEU 78 HD21 LEU 78 11.356 13.037 -6.418 585 HD22 LEU 78 HD22 LEU 78 10.444 12.865 -4.916 586 HD23 LEU 78 HD23 LEU 78 9.621 13.357 -6.397 587 H SER 79 H SER 79 13.031 8.277 -7.669 588 HA SER 79 HA SER 79 11.814 8.687 -10.199 589 HB2 SER 79 HB3 SER 79 14.349 7.160 -9.470 590 HB3 SER 79 HB2 SER 79 13.908 7.697 -11.096 591 HG SER 79 HG SER 79 15.125 9.330 -10.416 592 H ASP 80 H ASP 80 11.981 5.883 -8.070 593 HA ASP 80 HA ASP 80 11.174 3.919 -9.988 594 HB2 ASP 80 HB3 ASP 80 11.063 3.952 -6.943 595 HB3 ASP 80 HB2 ASP 80 10.404 2.609 -7.873 596 H LEU 81 H LEU 81 9.340 5.865 -7.583 597 HA LEU 81 HA LEU 81 6.783 4.926 -8.427 598 HB2 LEU 81 HB3 LEU 81 7.790 6.637 -6.321 599 HB3 LEU 81 HB2 LEU 81 6.507 7.514 -7.133 600 HG LEU 81 HG LEU 81 6.278 4.769 -5.849 601 HD11 LEU 81 HD11 LEU 81 4.759 5.847 -4.266 602 HD12 LEU 81 HD12 LEU 81 5.025 7.405 -5.051 603 HD13 LEU 81 HD13 LEU 81 6.358 6.592 -4.229 604 HD21 LEU 81 HD21 LEU 81 4.138 6.347 -7.324 605 HD22 LEU 81 HD22 LEU 81 3.867 4.868 -6.397 606 HD23 LEU 81 HD23 LEU 81 4.868 4.824 -7.845 607 H PHE 82 H PHE 82 8.820 7.569 -9.520 608 HA PHE 82 HA PHE 82 6.742 8.996 -10.902 609 HB2 PHE 82 HB3 PHE 82 8.876 10.086 -10.092 610 HB3 PHE 82 HB2 PHE 82 9.765 9.196 -11.326 611 HD1 PHE 82 HD1 PHE 82 7.189 11.819 -10.772 612 HD2 PHE 82 HD2 PHE 82 9.769 9.961 -13.640 613 HE1 PHE 82 HE1 PHE 82 6.672 13.585 -12.397 614 HE2 PHE 82 HE2 PHE 82 9.246 11.742 -15.258 615 HZ PHE 82 HZ PHE 82 7.693 13.554 -14.637 616 H ASN 83 H ASN 83 9.349 6.747 -11.885 617 HA ASN 83 HA ASN 83 8.631 6.730 -14.680 618 HB2 ASN 83 HB3 ASN 83 10.953 6.308 -13.925 619 HB3 ASN 83 HB2 ASN 83 10.432 4.854 -13.075 620 HD21 ASN 83 HD21 ASN 83 11.744 3.487 -14.236 621 HD22 ASN 83 HD22 ASN 83 11.539 3.147 -15.918 622 H HIS 84 H HIS 84 7.816 4.796 -11.869 623 HA HIS 84 HA HIS 84 5.888 3.220 -13.475 624 HB2 HIS 84 HB3 HIS 84 7.692 2.231 -11.217 625 HB3 HIS 84 HB2 HIS 84 6.295 1.331 -11.793 626 HD1 HIS 84 HD1 HIS 84 6.621 -0.102 -13.892 627 HD2 HIS 84 HD2 HIS 84 9.820 2.442 -13.158 628 HE1 HIS 84 HE1 HIS 84 8.422 -0.798 -15.483 629 HE2 HIS 84 HE2 HIS 84 10.398 0.630 -14.891 630 HA PRO 85 HA PRO 85 3.727 5.633 -10.149 631 HB2 PRO 85 HB3 PRO 85 1.603 6.499 -11.641 632 HB3 PRO 85 HB2 PRO 85 3.192 7.294 -11.676 633 HG2 PRO 85 HG3 PRO 85 2.006 5.376 -13.642 634 HG3 PRO 85 HG2 PRO 85 2.970 6.838 -13.938 635 HD2 PRO 85 HD3 PRO 85 4.000 4.278 -14.022 636 HD3 PRO 85 HD2 PRO 85 4.973 5.725 -13.669 637 H ARG 86 H ARG 86 2.566 3.059 -12.247 638 HA ARG 86 HA ARG 86 0.197 2.349 -10.851 639 HB2 ARG 86 HB3 ARG 86 2.014 0.946 -12.794 640 HB3 ARG 86 HB2 ARG 86 0.985 -0.080 -11.807 641 HG2 ARG 86 HG3 ARG 86 -0.115 0.274 -13.882 642 HG3 ARG 86 HG2 ARG 86 -0.998 1.164 -12.642 643 HD2 ARG 86 HD3 ARG 86 -0.891 2.509 -14.620 644 HD3 ARG 86 HD2 ARG 86 0.166 3.239 -13.408 645 HE ARG 86 HE ARG 86 1.629 1.469 -15.082 646 HH11 ARG 86 HH11 ARG 86 0.159 4.666 -15.098 647 HH12 ARG 86 HH12 ARG 86 1.235 5.279 -16.325 648 HH21 ARG 86 HH21 ARG 86 3.010 2.288 -16.718 649 HH22 ARG 86 HH22 ARG 86 2.840 3.940 -17.233 650 H LEU 87 H LEU 87 -0.153 0.677 -9.338 651 HA LEU 87 HA LEU 87 1.674 0.581 -7.182 652 HB2 LEU 87 HB3 LEU 87 -0.882 0.394 -7.171 653 HB3 LEU 87 HB2 LEU 87 -0.685 -1.281 -7.633 654 HG LEU 87 HG LEU 87 0.453 -0.134 -5.037 655 HD11 LEU 87 HD11 LEU 87 -2.205 -1.543 -5.449 656 HD12 LEU 87 HD12 LEU 87 -1.971 0.159 -5.039 657 HD13 LEU 87 HD13 LEU 87 -1.496 -1.088 -3.897 658 HD21 LEU 87 HD21 LEU 87 1.515 -2.236 -5.703 659 HD22 LEU 87 HD22 LEU 87 -0.059 -3.009 -5.876 660 HD23 LEU 87 HD23 LEU 87 0.499 -2.490 -4.282 661 H ALA 88 H ALA 88 0.606 -1.933 -9.502 662 HA ALA 88 HA ALA 88 2.240 -4.026 -8.553 663 HB1 ALA 88 HB1 ALA 88 1.074 -3.617 -11.324 664 HB2 ALA 88 HB2 ALA 88 0.274 -4.397 -9.961 665 HB3 ALA 88 HB3 ALA 88 1.702 -5.140 -10.677 666 H ASP 89 H ASP 89 2.761 -1.525 -10.979 667 HA ASP 89 HA ASP 89 5.231 -2.459 -12.020 668 HB2 ASP 89 HB3 ASP 89 3.740 0.170 -12.071 669 HB3 ASP 89 HB2 ASP 89 5.402 0.129 -12.644 670 H PHE 90 H PHE 90 4.446 -0.097 -9.460 671 HA PHE 90 HA PHE 90 7.110 0.665 -8.850 672 HB2 PHE 90 HB3 PHE 90 5.221 2.079 -8.188 673 HB3 PHE 90 HB2 PHE 90 4.571 0.804 -7.162 674 HD1 PHE 90 HD1 PHE 90 7.947 2.454 -7.562 675 HD2 PHE 90 HD2 PHE 90 4.785 1.320 -4.917 676 HE1 PHE 90 HE1 PHE 90 9.209 3.356 -5.650 677 HE2 PHE 90 HE2 PHE 90 6.046 2.214 -3.021 678 HZ PHE 90 HZ PHE 90 8.255 3.230 -3.380 679 H ALA 91 H ALA 91 4.973 -1.858 -7.609 680 HA ALA 91 HA ALA 91 6.641 -2.832 -5.528 681 HB1 ALA 91 HB1 ALA 91 4.234 -3.301 -5.629 682 HB2 ALA 91 HB2 ALA 91 5.158 -4.804 -5.572 683 HB3 ALA 91 HB3 ALA 91 4.461 -4.252 -7.099 684 H ALA 92 H ALA 92 6.317 -3.598 -8.961 685 HA ALA 92 HA ALA 92 8.050 -5.858 -9.035 686 HB1 ALA 92 HB1 ALA 92 6.358 -5.431 -10.765 687 HB2 ALA 92 HB2 ALA 92 7.963 -5.587 -11.483 688 HB3 ALA 92 HB3 ALA 92 7.228 -3.989 -11.288 689 H THR 93 H THR 93 8.640 -2.399 -9.122 690 HA THR 93 HA THR 93 11.445 -2.783 -9.956 691 HB THR 93 HB THR 93 10.054 -1.077 -11.187 692 HG1 THR 93 HG1 THR 93 12.168 0.244 -9.825 693 HG21 THR 93 HG21 THR 93 10.239 0.546 -8.621 694 HG22 THR 93 HG22 THR 93 8.763 -0.163 -9.279 695 HG23 THR 93 HG23 THR 93 9.603 1.100 -10.175 696 H LEU 94 H LEU 94 9.918 -2.999 -7.113 697 HA LEU 94 HA LEU 94 11.526 -1.342 -5.422 698 HB2 LEU 94 HB3 LEU 94 9.831 -3.772 -4.817 699 HB3 LEU 94 HB2 LEU 94 10.803 -2.996 -3.573 700 HG LEU 94 HG LEU 94 8.449 -1.801 -5.070 701 HD11 LEU 94 HD11 LEU 94 7.475 -1.623 -2.823 702 HD12 LEU 94 HD12 LEU 94 8.881 -2.445 -2.143 703 HD13 LEU 94 HD13 LEU 94 7.819 -3.289 -3.273 704 HD21 LEU 94 HD21 LEU 94 10.140 -0.055 -4.834 705 HD22 LEU 94 HD22 LEU 94 10.297 -0.401 -3.109 706 HD23 LEU 94 HD23 LEU 94 8.783 0.243 -3.751 707 H ARG 95 H ARG 95 13.471 -1.647 -4.652 708 HA ARG 95 HA ARG 95 14.994 -4.114 -5.329 709 HB2 ARG 95 HB3 ARG 95 16.387 -1.546 -4.534 710 HB3 ARG 95 HB2 ARG 95 16.855 -2.730 -5.744 711 HG2 ARG 95 HG3 ARG 95 15.438 -1.767 -7.394 712 HG3 ARG 95 HG2 ARG 95 14.524 -0.858 -6.194 713 HD2 ARG 95 HD3 ARG 95 16.638 0.469 -5.733 714 HD3 ARG 95 HD2 ARG 95 17.354 -0.318 -7.147 715 HE ARG 95 HE ARG 95 14.795 0.986 -7.619 716 HH11 ARG 95 HH11 ARG 95 18.297 1.439 -7.627 717 HH12 ARG 95 HH12 ARG 95 18.233 2.782 -8.721 718 HH21 ARG 95 HH21 ARG 95 14.726 2.727 -9.014 719 HH22 ARG 95 HH22 ARG 95 16.188 3.523 -9.516 720 H LYS 96 H LYS 96 16.035 -5.176 -3.538 721 HA LYS 96 HA LYS 96 15.173 -4.465 -0.888 722 HB2 LYS 96 HB3 LYS 96 17.206 -6.534 -1.842 723 HB3 LYS 96 HB2 LYS 96 16.699 -6.353 -0.161 724 HG2 LYS 96 HG3 LYS 96 14.328 -6.797 -0.901 725 HG3 LYS 96 HG2 LYS 96 14.955 -7.159 -2.513 726 HD2 LYS 96 HD3 LYS 96 16.290 -9.029 -1.590 727 HD3 LYS 96 HD2 LYS 96 15.724 -8.645 0.039 728 HE2 LYS 96 HE3 LYS 96 13.404 -9.123 -0.674 729 HE3 LYS 96 HE2 LYS 96 13.993 -9.548 -2.280 730 HZ1 LYS 96 HZ1 LYS 96 13.628 -11.514 -0.948 731 HZ2 LYS 96 HZ2 LYS 96 14.666 -10.943 0.253 732 HZ3 LYS 96 HZ3 LYS 96 15.278 -11.344 -1.265 733 H THR 97 H THR 97 16.141 -3.227 0.550 734 HA THR 97 HA THR 97 18.317 -1.537 0.119 735 HB THR 97 HB THR 97 17.118 -2.484 2.771 736 HG1 THR 97 HG1 THR 97 16.012 -0.300 2.401 737 HG21 THR 97 HG21 THR 97 18.630 0.095 2.187 738 HG22 THR 97 HG22 THR 97 19.276 -1.274 3.093 739 HG23 THR 97 HG23 THR 97 17.902 -0.367 3.725 740 H ASP 98 H ASP 98 20.496 -1.608 0.849 741 HA ASP 98 HA ASP 98 21.820 -4.085 0.953 742 HB2 ASP 98 HB3 ASP 98 23.852 -2.847 1.439 743 HB3 ASP 98 HB2 ASP 98 22.934 -1.973 0.222 744 H VAL 99 H VAL 99 22.121 -5.465 2.591 745 HA VAL 99 HA VAL 99 21.118 -4.793 5.258 746 HB VAL 99 HB VAL 99 21.343 -7.273 5.702 747 HG11 VAL 99 HG11 VAL 99 19.199 -6.305 4.986 748 HG12 VAL 99 HG12 VAL 99 19.404 -7.918 4.304 749 HG13 VAL 99 HG13 VAL 99 19.653 -6.494 3.289 750 HG21 VAL 99 HG21 VAL 99 23.129 -7.811 4.087 751 HG22 VAL 99 HG22 VAL 99 22.051 -7.429 2.742 752 HG23 VAL 99 HG23 VAL 99 21.704 -8.809 3.789 753 HA PRO 100 HA PRO 100 25.307 -4.245 6.808 754 HB2 PRO 100 HB3 PRO 100 24.779 -3.895 9.447 755 HB3 PRO 100 HB2 PRO 100 24.247 -2.706 8.235 756 HG2 PRO 100 HG3 PRO 100 22.649 -4.885 9.546 757 HG3 PRO 100 HG2 PRO 100 22.207 -3.185 9.266 758 HD2 PRO 100 HD3 PRO 100 21.387 -5.232 7.623 759 HD3 PRO 100 HD2 PRO 100 21.616 -3.562 7.057 760 H VAL 101 H VAL 101 23.541 -7.018 7.156 761 HA VAL 101 HA VAL 101 25.374 -8.456 8.918 762 HB VAL 101 HB VAL 101 22.931 -8.943 9.018 763 HG11 VAL 101 HG11 VAL 101 21.783 -10.160 7.227 764 HG12 VAL 101 HG12 VAL 101 23.222 -10.043 6.212 765 HG13 VAL 101 HG13 VAL 101 22.347 -8.581 6.670 766 HG21 VAL 101 HG21 VAL 101 24.571 -11.332 8.092 767 HG22 VAL 101 HG22 VAL 101 23.065 -11.414 9.011 768 HG23 VAL 101 HG23 VAL 101 24.502 -10.691 9.735 769 H GLU 102 H GLU 102 26.725 -10.154 8.189 770 HA GLU 102 HA GLU 102 27.918 -9.997 5.631 771 HB2 GLU 102 HB3 GLU 102 27.978 -12.311 7.614 772 HB3 GLU 102 HB2 GLU 102 29.089 -12.088 6.269 773 HG2 GLU 102 HG3 GLU 102 28.841 -10.277 8.686 774 HG3 GLU 102 HG2 GLU 102 30.110 -11.467 8.413 775 H GLN 103 H GLN 103 26.752 -10.431 3.826 776 HA GLN 103 HA GLN 103 24.726 -12.462 3.605 777 HB2 GLN 103 HB3 GLN 103 26.251 -11.092 1.341 778 HB3 GLN 103 HB2 GLN 103 24.708 -11.929 1.217 779 HG2 GLN 103 HG3 GLN 103 23.687 -10.169 2.663 780 HG3 GLN 103 HG2 GLN 103 25.230 -9.315 2.654 781 HE21 GLN 103 HE21 GLN 103 22.451 -10.232 0.749 782 HE22 GLN 103 HE22 GLN 103 22.742 -9.137 -0.559 783 HA PRO 104 HA PRO 104 27.578 -15.861 2.518 784 HB2 PRO 104 HB3 PRO 104 25.831 -17.655 1.457 785 HB3 PRO 104 HB2 PRO 104 25.771 -17.251 3.186 786 HG2 PRO 104 HG3 PRO 104 24.060 -16.188 0.956 787 HG3 PRO 104 HG2 PRO 104 23.565 -16.786 2.557 788 HD2 PRO 104 HD3 PRO 104 23.858 -14.122 2.021 789 HD3 PRO 104 HD2 PRO 104 24.151 -14.811 3.635 790 H PHE 105 H PHE 105 27.874 -17.315 0.393 791 HA PHE 105 HA PHE 105 28.142 -15.547 -1.882 792 HB2 PHE 105 HB3 PHE 105 29.050 -18.374 -1.309 793 HB3 PHE 105 HB2 PHE 105 29.043 -17.790 -2.967 794 HD1 PHE 105 HD1 PHE 105 30.468 -17.116 0.426 795 HD2 PHE 105 HD2 PHE 105 30.793 -16.387 -3.777 796 HE1 PHE 105 HE1 PHE 105 32.663 -16.053 0.774 797 HE2 PHE 105 HE2 PHE 105 32.981 -15.325 -3.422 798 HZ PHE 105 HZ PHE 105 33.916 -15.156 -1.149 799 H VAL 106 H VAL 106 25.626 -15.399 -1.600 800 HA VAL 106 HA VAL 106 24.278 -17.058 -3.578 801 HB VAL 106 HB VAL 106 22.407 -15.373 -3.414 802 HG11 VAL 106 HG11 VAL 106 21.708 -15.914 -1.107 803 HG12 VAL 106 HG12 VAL 106 23.354 -16.414 -0.714 804 HG13 VAL 106 HG13 VAL 106 22.416 -17.321 -1.904 805 HG21 VAL 106 HG21 VAL 106 24.148 -14.004 -1.330 806 HG22 VAL 106 HG22 VAL 106 22.469 -13.592 -1.696 807 HG23 VAL 106 HG23 VAL 106 23.726 -13.354 -2.914 808 H HIS 107 H HIS 107 24.242 -16.611 -5.761 809 HA HIS 107 HA HIS 107 26.291 -14.969 -6.793 810 HB2 HIS 107 HB3 HIS 107 25.562 -15.633 -9.020 811 HB3 HIS 107 HB2 HIS 107 25.479 -17.019 -7.942 812 HD1 HIS 107 HD1 HIS 107 23.473 -14.938 -10.219 813 HD2 HIS 107 HD2 HIS 107 22.753 -17.835 -7.333 814 HE1 HIS 107 HE1 HIS 107 21.112 -15.688 -10.578 815 HE2 HIS 107 HE2 HIS 107 20.699 -17.418 -8.811 816 H SER 108 H SER 108 26.197 -12.869 -6.433 817 HA SER 108 HA SER 108 23.769 -11.311 -6.453 818 HB2 SER 108 HB3 SER 108 26.681 -10.489 -6.057 819 HB3 SER 108 HB2 SER 108 25.284 -9.432 -5.808 820 HG SER 108 HG SER 108 25.237 -11.901 -4.514 821 HA PRO 109 HA PRO 109 23.824 -10.320 -10.896 822 HB2 PRO 109 HB3 PRO 109 22.402 -7.865 -9.826 823 HB3 PRO 109 HB2 PRO 109 21.970 -8.916 -11.196 824 HG2 PRO 109 HG3 PRO 109 20.649 -9.183 -8.926 825 HG3 PRO 109 HG2 PRO 109 21.169 -10.637 -9.814 826 HD2 PRO 109 HD3 PRO 109 22.376 -9.401 -7.347 827 HD3 PRO 109 HD2 PRO 109 22.140 -11.120 -7.753 828 H GLU 110 H GLU 110 24.872 -8.056 -8.384 829 HA GLU 110 HA GLU 110 26.284 -6.210 -10.040 830 HB2 GLU 110 HB3 GLU 110 25.574 -5.653 -7.736 831 HB3 GLU 110 HB2 GLU 110 26.637 -6.893 -7.082 832 HG2 GLU 110 HG3 GLU 110 28.606 -5.641 -7.903 833 HG3 GLU 110 HG2 GLU 110 27.541 -4.407 -8.572 834 H ASP 111 H ASP 111 27.284 -9.029 -8.117 835 HA ASP 111 HA ASP 111 30.061 -8.861 -8.671 836 HB2 ASP 111 HB3 ASP 111 29.205 -9.943 -6.634 837 HB3 ASP 111 HB2 ASP 111 28.420 -11.196 -7.587 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -13.547 15.535 -22.412 2 H2 GLY 1 H2 GLY 1 -14.304 15.226 -20.935 3 H3 GLY 1 H3 GLY 1 -14.787 16.548 -21.867 4 HA2 GLY 1 HA2 GLY 1 -15.593 15.089 -23.597 5 HA3 GLY 1 HA3 GLY 1 -15.078 13.698 -22.647 6 H THR 2 H THR 2 -17.733 15.434 -23.480 7 HA THR 2 HA THR 2 -19.216 15.293 -21.001 8 HB THR 2 HB THR 2 -21.215 15.743 -22.560 9 HG1 THR 2 HG1 THR 2 -20.881 15.870 -24.669 10 HG21 THR 2 HG21 THR 2 -20.088 17.606 -21.396 11 HG22 THR 2 HG22 THR 2 -20.604 18.090 -23.013 12 HG23 THR 2 HG23 THR 2 -18.906 17.723 -22.704 13 H ILE 3 H ILE 3 -20.583 13.655 -20.334 14 HA ILE 3 HA ILE 3 -20.208 11.013 -21.415 15 HB ILE 3 HB ILE 3 -21.793 10.265 -19.591 16 HG12 ILE 3 HG13 ILE 3 -22.252 12.165 -17.767 17 HG13 ILE 3 HG12 ILE 3 -22.119 13.265 -19.130 18 HG21 ILE 3 HG21 ILE 3 -19.376 10.412 -19.190 19 HG22 ILE 3 HG22 ILE 3 -20.267 10.812 -17.724 20 HG23 ILE 3 HG23 ILE 3 -19.536 12.098 -18.686 21 HD11 ILE 3 HD11 ILE 3 -24.435 12.732 -18.578 22 HD12 ILE 3 HD12 ILE 3 -24.126 11.021 -18.868 23 HD13 ILE 3 HD13 ILE 3 -24.026 12.173 -20.201 24 H ASP 4 H ASP 4 -22.064 9.545 -21.890 25 HA ASP 4 HA ASP 4 -24.203 10.789 -23.493 26 HB2 ASP 4 HB3 ASP 4 -23.278 7.885 -23.202 27 HB3 ASP 4 HB2 ASP 4 -24.720 8.346 -24.099 28 H TYR 5 H TYR 5 -25.871 11.413 -22.204 29 HA TYR 5 HA TYR 5 -26.894 9.879 -19.970 30 HB2 TYR 5 HB3 TYR 5 -27.107 12.421 -20.299 31 HB3 TYR 5 HB2 TYR 5 -28.326 12.092 -21.522 32 HD1 TYR 5 HD1 TYR 5 -30.614 11.459 -20.848 33 HD2 TYR 5 HD2 TYR 5 -27.538 11.873 -17.904 34 HE1 TYR 5 HE1 TYR 5 -32.311 11.389 -19.059 35 HE2 TYR 5 HE2 TYR 5 -29.225 11.802 -16.131 36 HH TYR 5 HH TYR 5 -32.429 10.832 -16.643 37 H GLN 6 H GLN 6 -27.108 9.735 -23.342 38 HA GLN 6 HA GLN 6 -29.656 8.471 -23.675 39 HB2 GLN 6 HB3 GLN 6 -27.235 8.609 -25.538 40 HB3 GLN 6 HB2 GLN 6 -28.820 7.994 -25.992 41 HG2 GLN 6 HG3 GLN 6 -28.682 10.198 -26.876 42 HG3 GLN 6 HG2 GLN 6 -29.765 10.294 -25.490 43 HE21 GLN 6 HE21 GLN 6 -29.420 12.516 -25.214 44 HE22 GLN 6 HE22 GLN 6 -27.927 13.167 -24.635 45 H ALA 7 H ALA 7 -26.514 7.438 -22.645 46 HA ALA 7 HA ALA 7 -26.604 4.676 -23.332 47 HB1 ALA 7 HB1 ALA 7 -24.519 5.797 -22.714 48 HB2 ALA 7 HB2 ALA 7 -24.803 4.407 -21.664 49 HB3 ALA 7 HB3 ALA 7 -25.114 6.046 -21.075 50 H LEU 8 H LEU 8 -28.320 6.493 -21.034 51 HA LEU 8 HA LEU 8 -28.938 4.569 -19.052 52 HB2 LEU 8 HB3 LEU 8 -29.470 7.295 -19.510 53 HB3 LEU 8 HB2 LEU 8 -31.064 6.580 -19.571 54 HG LEU 8 HG LEU 8 -29.119 6.447 -17.226 55 HD11 LEU 8 HD11 LEU 8 -30.087 8.670 -17.523 56 HD12 LEU 8 HD12 LEU 8 -30.725 7.900 -16.074 57 HD13 LEU 8 HD13 LEU 8 -31.719 7.988 -17.531 58 HD21 LEU 8 HD21 LEU 8 -30.949 5.407 -15.943 59 HD22 LEU 8 HD22 LEU 8 -30.445 4.389 -17.288 60 HD23 LEU 8 HD23 LEU 8 -31.938 5.325 -17.404 61 H LYS 9 H LYS 9 -30.060 4.996 -22.303 62 HA LYS 9 HA LYS 9 -32.346 3.157 -21.966 63 HB2 LYS 9 HB3 LYS 9 -31.447 4.850 -24.339 64 HB3 LYS 9 HB2 LYS 9 -32.781 3.701 -24.408 65 HG2 LYS 9 HG3 LYS 9 -33.975 4.992 -22.660 66 HG3 LYS 9 HG2 LYS 9 -32.648 6.158 -22.635 67 HD2 LYS 9 HD3 LYS 9 -33.087 6.751 -24.984 68 HD3 LYS 9 HD2 LYS 9 -34.358 5.525 -25.074 69 HE2 LYS 9 HE3 LYS 9 -35.283 7.795 -24.794 70 HE3 LYS 9 HE2 LYS 9 -35.699 6.757 -23.431 71 HZ1 LYS 9 HZ1 LYS 9 -33.965 7.804 -22.136 72 HZ2 LYS 9 HZ2 LYS 9 -35.013 8.982 -22.743 73 HZ3 LYS 9 HZ3 LYS 9 -33.496 8.757 -23.455 74 H ARG 10 H ARG 10 -32.517 1.249 -23.216 75 HA ARG 10 HA ARG 10 -30.231 -0.345 -23.564 76 HB2 ARG 10 HB3 ARG 10 -33.059 -0.701 -24.634 77 HB3 ARG 10 HB2 ARG 10 -31.829 -1.954 -24.710 78 HG2 ARG 10 HG3 ARG 10 -32.803 -0.748 -22.098 79 HG3 ARG 10 HG2 ARG 10 -33.542 -2.165 -22.842 80 HD2 ARG 10 HD3 ARG 10 -32.043 -2.986 -21.190 81 HD3 ARG 10 HD2 ARG 10 -31.249 -3.270 -22.741 82 HE ARG 10 HE ARG 10 -30.416 -0.791 -21.674 83 HH11 ARG 10 HH11 ARG 10 -29.965 -4.244 -21.091 84 HH12 ARG 10 HH12 ARG 10 -28.406 -4.014 -20.353 85 HH21 ARG 10 HH21 ARG 10 -28.394 -0.533 -20.698 86 HH22 ARG 10 HH22 ARG 10 -27.523 -1.930 -20.135 87 H ARG 11 H ARG 11 -28.738 0.490 -24.932 88 HA ARG 11 HA ARG 11 -29.347 0.573 -27.840 89 HB2 ARG 11 HB3 ARG 11 -27.659 2.404 -28.016 90 HB3 ARG 11 HB2 ARG 11 -29.023 2.871 -27.015 91 HG2 ARG 11 HG3 ARG 11 -27.600 2.334 -24.986 92 HG3 ARG 11 HG2 ARG 11 -26.235 2.121 -26.085 93 HD2 ARG 11 HD3 ARG 11 -27.849 4.670 -25.726 94 HD3 ARG 11 HD2 ARG 11 -26.246 4.360 -25.062 95 HE ARG 11 HE ARG 11 -26.550 4.240 -27.970 96 HH11 ARG 11 HH11 ARG 11 -25.454 6.145 -25.209 97 HH12 ARG 11 HH12 ARG 11 -24.488 7.213 -26.177 98 HH21 ARG 11 HH21 ARG 11 -25.270 5.626 -29.211 99 HH22 ARG 11 HH22 ARG 11 -24.386 6.913 -28.454 100 H HIS 12 H HIS 12 -26.406 0.879 -28.412 101 HA HIS 12 HA HIS 12 -25.445 -1.775 -27.947 102 HB2 HIS 12 HB3 HIS 12 -24.059 0.738 -28.955 103 HB3 HIS 12 HB2 HIS 12 -23.189 -0.776 -28.718 104 HD1 HIS 12 HD1 HIS 12 -23.084 -2.210 -30.743 105 HD2 HIS 12 HD2 HIS 12 -26.401 0.296 -30.835 106 HE1 HIS 12 HE1 HIS 12 -24.207 -2.654 -32.941 107 HE2 HIS 12 HE2 HIS 12 -26.258 -1.204 -32.928 108 H THR 13 H THR 13 -25.422 -2.295 -25.866 109 HA THR 13 HA THR 13 -25.086 -0.528 -23.700 110 HB THR 13 HB THR 13 -25.249 -2.628 -22.330 111 HG1 THR 13 HG1 THR 13 -24.271 -4.209 -23.432 112 HG21 THR 13 HG21 THR 13 -27.350 -1.609 -23.146 113 HG22 THR 13 HG22 THR 13 -27.483 -3.365 -23.147 114 HG23 THR 13 HG23 THR 13 -27.218 -2.502 -24.664 115 HA PRO 14 HA PRO 14 -20.523 -0.857 -23.842 116 HB2 PRO 14 HB3 PRO 14 -19.911 1.515 -22.673 117 HB3 PRO 14 HB2 PRO 14 -20.608 1.428 -24.302 118 HG2 PRO 14 HG3 PRO 14 -21.918 2.203 -21.742 119 HG3 PRO 14 HG2 PRO 14 -22.223 2.787 -23.389 120 HD2 PRO 14 HD3 PRO 14 -23.733 0.817 -22.003 121 HD3 PRO 14 HD2 PRO 14 -23.851 1.222 -23.728 122 H GLU 15 H GLU 15 -20.867 -2.742 -22.334 123 HA GLU 15 HA GLU 15 -20.243 -2.300 -19.527 124 HB2 GLU 15 HB3 GLU 15 -20.560 -4.842 -21.166 125 HB3 GLU 15 HB2 GLU 15 -19.917 -4.881 -19.530 126 HG2 GLU 15 HG3 GLU 15 -22.234 -5.425 -19.385 127 HG3 GLU 15 HG2 GLU 15 -22.031 -3.808 -18.719 128 H ALA 16 H ALA 16 -18.280 -2.134 -18.674 129 HA ALA 16 HA ALA 16 -15.872 -2.814 -20.280 130 HB1 ALA 16 HB1 ALA 16 -16.148 -0.394 -19.866 131 HB2 ALA 16 HB2 ALA 16 -14.728 -1.026 -19.034 132 HB3 ALA 16 HB3 ALA 16 -16.203 -0.689 -18.124 133 H GLU 17 H GLU 17 -13.884 -3.053 -18.634 134 HA GLU 17 HA GLU 17 -14.489 -5.070 -16.633 135 HB2 GLU 17 HB3 GLU 17 -12.121 -5.223 -16.237 136 HB3 GLU 17 HB2 GLU 17 -12.351 -5.116 -17.970 137 HG2 GLU 17 HG3 GLU 17 -11.597 -2.724 -16.278 138 HG3 GLU 17 HG2 GLU 17 -10.397 -3.809 -16.954 139 H ASN 18 H ASN 18 -13.718 -4.790 -14.330 140 HA ASN 18 HA ASN 18 -14.253 -2.038 -13.356 141 HB2 ASN 18 HB3 ASN 18 -15.708 -4.019 -12.559 142 HB3 ASN 18 HB2 ASN 18 -14.313 -4.554 -11.634 143 HD21 ASN 18 HD21 ASN 18 -16.718 -3.945 -10.412 144 HD22 ASN 18 HD22 ASN 18 -16.540 -2.518 -9.455 145 HA PRO 19 HA PRO 19 -9.771 -2.286 -12.289 146 HB2 PRO 19 HB3 PRO 19 -9.222 0.358 -12.652 147 HB3 PRO 19 HB2 PRO 19 -9.290 -0.765 -14.023 148 HG2 PRO 19 HG3 PRO 19 -11.371 1.167 -13.074 149 HG3 PRO 19 HG2 PRO 19 -10.849 0.803 -14.734 150 HD2 PRO 19 HD3 PRO 19 -13.118 -0.264 -13.600 151 HD3 PRO 19 HD2 PRO 19 -12.191 -1.075 -14.884 152 H ALA 20 H ALA 20 -8.684 -1.117 -10.482 153 HA ALA 20 HA ALA 20 -8.567 -0.750 -8.253 154 HB1 ALA 20 HB1 ALA 20 -11.152 0.807 -8.564 155 HB2 ALA 20 HB2 ALA 20 -9.531 1.460 -8.797 156 HB3 ALA 20 HB3 ALA 20 -10.035 0.905 -7.200 157 H GLU 21 H GLU 21 -9.838 -3.138 -9.275 158 HA GLU 21 HA GLU 21 -11.223 -4.131 -6.932 159 HB2 GLU 21 HB3 GLU 21 -12.999 -2.924 -8.314 160 HB3 GLU 21 HB2 GLU 21 -12.715 -4.092 -9.598 161 HG2 GLU 21 HG3 GLU 21 -14.686 -4.755 -8.398 162 HG3 GLU 21 HG2 GLU 21 -13.416 -5.915 -8.010 163 H ALA 22 H ALA 22 -11.154 -5.043 -10.409 164 HA ALA 22 HA ALA 22 -10.796 -7.841 -9.857 165 HB1 ALA 22 HB1 ALA 22 -10.652 -6.358 -12.508 166 HB2 ALA 22 HB2 ALA 22 -12.113 -7.021 -11.775 167 HB3 ALA 22 HB3 ALA 22 -10.825 -8.105 -12.302 168 H ASP 23 H ASP 23 -8.608 -5.334 -9.973 169 HA ASP 23 HA ASP 23 -6.314 -6.972 -10.844 170 HB2 ASP 23 HB3 ASP 23 -5.212 -4.792 -11.387 171 HB3 ASP 23 HB2 ASP 23 -6.647 -5.090 -12.354 172 H LEU 24 H LEU 24 -7.590 -6.913 -8.217 173 HA LEU 24 HA LEU 24 -6.332 -5.513 -6.195 174 HB2 LEU 24 HB3 LEU 24 -8.280 -7.091 -5.981 175 HB3 LEU 24 HB2 LEU 24 -7.186 -8.450 -6.121 176 HG LEU 24 HG LEU 24 -6.873 -6.465 -3.828 177 HD11 LEU 24 HD11 LEU 24 -8.321 -7.857 -2.411 178 HD12 LEU 24 HD12 LEU 24 -8.743 -8.858 -3.804 179 HD13 LEU 24 HD13 LEU 24 -9.218 -7.159 -3.759 180 HD21 LEU 24 HD21 LEU 24 -5.933 -8.403 -2.611 181 HD22 LEU 24 HD22 LEU 24 -5.040 -8.073 -4.091 182 HD23 LEU 24 HD23 LEU 24 -6.176 -9.422 -4.037 183 HA PRO 25 HA PRO 25 -2.018 -6.550 -6.656 184 HB2 PRO 25 HB3 PRO 25 -1.148 -6.166 -4.021 185 HB3 PRO 25 HB2 PRO 25 -1.423 -4.862 -5.186 186 HG2 PRO 25 HG3 PRO 25 -3.246 -5.864 -3.024 187 HG3 PRO 25 HG2 PRO 25 -2.872 -4.190 -3.501 188 HD2 PRO 25 HD3 PRO 25 -5.153 -5.337 -4.299 189 HD3 PRO 25 HD2 PRO 25 -4.241 -4.277 -5.398 190 H GLN 26 H GLN 26 -1.165 -8.545 -6.900 191 HA GLN 26 HA GLN 26 -1.973 -10.721 -5.045 192 HB2 GLN 26 HB3 GLN 26 -1.362 -10.982 -8.031 193 HB3 GLN 26 HB2 GLN 26 -1.850 -12.286 -6.952 194 HG2 GLN 26 HG3 GLN 26 -4.028 -11.119 -6.603 195 HG3 GLN 26 HG2 GLN 26 -3.522 -9.908 -7.777 196 HE21 GLN 26 HE21 GLN 26 -3.310 -10.538 -9.980 197 HE22 GLN 26 HE22 GLN 26 -4.153 -11.914 -10.595 198 H GLY 27 H GLY 27 -0.240 -10.699 -3.708 199 HA2 GLY 27 HA3 GLY 27 1.993 -12.084 -3.831 200 HA3 GLY 27 HA2 GLY 27 2.509 -10.666 -4.745 201 H ASP 28 H ASP 28 3.828 -11.328 -2.423 202 HA ASP 28 HA ASP 28 2.706 -10.125 -0.061 203 HB2 ASP 28 HB3 ASP 28 4.224 -12.044 0.087 204 HB3 ASP 28 HB2 ASP 28 5.514 -11.135 -0.683 205 H ILE 29 H ILE 29 5.157 -9.113 -2.473 206 HA ILE 29 HA ILE 29 5.877 -6.680 -1.123 207 HB ILE 29 HB ILE 29 6.177 -7.221 -4.121 208 HG12 ILE 29 HG13 ILE 29 7.229 -9.069 -2.841 209 HG13 ILE 29 HG12 ILE 29 8.433 -8.089 -3.659 210 HG21 ILE 29 HG21 ILE 29 8.066 -5.620 -3.963 211 HG22 ILE 29 HG22 ILE 29 7.711 -5.356 -2.254 212 HG23 ILE 29 HG23 ILE 29 6.542 -4.872 -3.486 213 HD11 ILE 29 HD11 ILE 29 9.001 -7.001 -1.535 214 HD12 ILE 29 HD12 ILE 29 9.171 -8.752 -1.447 215 HD13 ILE 29 HD13 ILE 29 7.775 -7.970 -0.709 216 H GLU 30 H GLU 30 3.598 -7.555 -3.700 217 HA GLU 30 HA GLU 30 2.637 -4.981 -4.351 218 HB2 GLU 30 HB3 GLU 30 1.393 -7.753 -4.556 219 HB3 GLU 30 HB2 GLU 30 0.606 -6.315 -5.191 220 HG2 GLU 30 HG3 GLU 30 1.698 -7.534 -6.983 221 HG3 GLU 30 HG2 GLU 30 2.476 -5.970 -6.759 222 H LYS 31 H LYS 31 1.737 -7.323 -1.862 223 HA LYS 31 HA LYS 31 -0.596 -6.009 -0.843 224 HB2 LYS 31 HB3 LYS 31 -0.186 -8.418 -0.554 225 HB3 LYS 31 HB2 LYS 31 1.278 -8.111 0.352 226 HG2 LYS 31 HG3 LYS 31 -1.333 -7.089 1.460 227 HG3 LYS 31 HG2 LYS 31 -0.990 -8.817 1.555 228 HD2 LYS 31 HD3 LYS 31 1.148 -8.298 2.743 229 HD3 LYS 31 HD2 LYS 31 0.728 -6.583 2.705 230 HE2 LYS 31 HE3 LYS 31 -0.820 -8.780 4.118 231 HE3 LYS 31 HE2 LYS 31 0.189 -7.553 4.884 232 HZ1 LYS 31 HZ1 LYS 31 -2.124 -6.951 5.030 233 HZ2 LYS 31 HZ2 LYS 31 -2.309 -7.062 3.354 234 HZ3 LYS 31 HZ3 LYS 31 -1.328 -5.856 4.014 235 H GLN 32 H GLN 32 2.848 -5.958 -0.011 236 HA GLN 32 HA GLN 32 2.772 -4.437 2.354 237 HB2 GLN 32 HB3 GLN 32 4.745 -5.714 1.637 238 HB3 GLN 32 HB2 GLN 32 4.935 -4.695 0.218 239 HG2 GLN 32 HG3 GLN 32 6.599 -4.137 1.910 240 HG3 GLN 32 HG2 GLN 32 5.509 -2.779 1.656 241 HE21 GLN 32 HE21 GLN 32 4.686 -5.621 3.616 242 HE22 GLN 32 HE22 GLN 32 4.683 -4.784 5.122 243 H VAL 33 H VAL 33 3.387 -3.426 -1.005 244 HA VAL 33 HA VAL 33 3.570 -0.640 -0.515 245 HB VAL 33 HB VAL 33 2.936 -2.146 -3.095 246 HG11 VAL 33 HG11 VAL 33 2.351 0.230 -3.334 247 HG12 VAL 33 HG12 VAL 33 3.767 -0.169 -4.304 248 HG13 VAL 33 HG13 VAL 33 3.961 0.698 -2.779 249 HG21 VAL 33 HG21 VAL 33 5.068 -2.856 -2.085 250 HG22 VAL 33 HG22 VAL 33 5.619 -1.180 -2.044 251 HG23 VAL 33 HG23 VAL 33 5.336 -1.980 -3.593 252 H ALA 34 H ALA 34 0.875 -2.804 -1.240 253 HA ALA 34 HA ALA 34 -1.095 -0.900 -1.902 254 HB1 ALA 34 HB1 ALA 34 -2.711 -2.674 -1.443 255 HB2 ALA 34 HB2 ALA 34 -1.462 -3.622 -0.627 256 HB3 ALA 34 HB3 ALA 34 -1.335 -3.291 -2.355 257 H ALA 35 H ALA 35 -0.268 -2.402 1.227 258 HA ALA 35 HA ALA 35 -2.244 -1.198 2.819 259 HB1 ALA 35 HB1 ALA 35 -0.879 -3.102 3.559 260 HB2 ALA 35 HB2 ALA 35 -0.802 -1.780 4.726 261 HB3 ALA 35 HB3 ALA 35 0.549 -2.071 3.624 262 H LEU 36 H LEU 36 0.938 -0.090 1.818 263 HA LEU 36 HA LEU 36 1.073 2.199 3.529 264 HB2 LEU 36 HB3 LEU 36 2.689 1.412 1.077 265 HB3 LEU 36 HB2 LEU 36 3.091 2.754 2.141 266 HG LEU 36 HG LEU 36 3.023 -0.180 2.957 267 HD11 LEU 36 HD11 LEU 36 5.465 -0.011 3.147 268 HD12 LEU 36 HD12 LEU 36 5.408 1.641 2.525 269 HD13 LEU 36 HD13 LEU 36 4.918 0.292 1.499 270 HD21 LEU 36 HD21 LEU 36 3.994 0.585 5.095 271 HD22 LEU 36 HD22 LEU 36 2.378 1.229 4.831 272 HD23 LEU 36 HD23 LEU 36 3.788 2.262 4.587 273 H TRP 37 H TRP 37 0.234 1.722 0.083 274 HA TRP 37 HA TRP 37 -0.186 4.484 -0.510 275 HB2 TRP 37 HB3 TRP 37 -1.069 1.925 -1.892 276 HB3 TRP 37 HB2 TRP 37 -1.604 3.497 -2.472 277 HD1 TRP 37 HD1 TRP 37 2.037 3.034 -1.274 278 HE1 TRP 37 HE1 TRP 37 3.594 3.257 -3.310 279 HE3 TRP 37 HE3 TRP 37 -1.474 3.212 -5.008 280 HZ2 TRP 37 HZ2 TRP 37 3.385 3.463 -6.109 281 HZ3 TRP 37 HZ3 TRP 37 -0.702 3.423 -7.337 282 HH2 TRP 37 HH2 TRP 37 1.679 3.545 -7.878 283 H GLN 38 H GLN 38 -2.233 2.006 0.927 284 HA GLN 38 HA GLN 38 -4.691 3.471 0.765 285 HB2 GLN 38 HB3 GLN 38 -3.803 1.107 2.447 286 HB3 GLN 38 HB2 GLN 38 -5.396 1.836 2.661 287 HG2 GLN 38 HG3 GLN 38 -6.018 1.319 0.376 288 HG3 GLN 38 HG2 GLN 38 -4.376 0.792 0.010 289 HE21 GLN 38 HE21 GLN 38 -5.148 -1.218 -0.706 290 HE22 GLN 38 HE22 GLN 38 -5.697 -2.432 0.395 291 H GLN 39 H GLN 39 -2.110 3.297 3.202 292 HA GLN 39 HA GLN 39 -3.446 4.920 5.159 293 HB2 GLN 39 HB3 GLN 39 -0.494 4.221 4.818 294 HB3 GLN 39 HB2 GLN 39 -1.148 5.088 6.204 295 HG2 GLN 39 HG3 GLN 39 -1.893 2.261 5.396 296 HG3 GLN 39 HG2 GLN 39 -0.778 2.697 6.686 297 HE21 GLN 39 HE21 GLN 39 -3.308 1.160 6.770 298 HE22 GLN 39 HE22 GLN 39 -4.292 1.965 7.943 299 H LEU 40 H LEU 40 -0.690 5.610 2.968 300 HA LEU 40 HA LEU 40 -0.418 8.319 3.674 301 HB2 LEU 40 HB3 LEU 40 0.695 6.552 1.491 302 HB3 LEU 40 HB2 LEU 40 0.979 8.281 1.410 303 HG LEU 40 HG LEU 40 2.889 7.130 2.400 304 HD11 LEU 40 HD11 LEU 40 1.480 8.821 4.483 305 HD12 LEU 40 HD12 LEU 40 2.446 9.423 3.136 306 HD13 LEU 40 HD13 LEU 40 3.213 8.480 4.409 307 HD21 LEU 40 HD21 LEU 40 1.836 5.176 3.390 308 HD22 LEU 40 HD22 LEU 40 1.055 6.177 4.615 309 HD23 LEU 40 HD23 LEU 40 2.814 6.016 4.593 310 H LEU 41 H LEU 41 -2.298 6.813 1.032 311 HA LEU 41 HA LEU 41 -3.033 9.452 -0.056 312 HB2 LEU 41 HB3 LEU 41 -3.926 6.688 -0.971 313 HB3 LEU 41 HB2 LEU 41 -4.247 8.196 -1.807 314 HG LEU 41 HG LEU 41 -1.528 6.959 -1.406 315 HD11 LEU 41 HD11 LEU 41 -3.166 7.100 -3.937 316 HD12 LEU 41 HD12 LEU 41 -2.859 5.655 -2.973 317 HD13 LEU 41 HD13 LEU 41 -1.524 6.462 -3.791 318 HD21 LEU 41 HD21 LEU 41 -0.701 8.692 -2.947 319 HD22 LEU 41 HD22 LEU 41 -1.357 9.384 -1.468 320 HD23 LEU 41 HD23 LEU 41 -2.302 9.437 -2.961 321 H SER 42 H SER 42 -4.156 7.297 2.295 322 HA SER 42 HA SER 42 -6.020 7.020 3.528 323 HB2 SER 42 HB3 SER 42 -5.677 9.474 3.918 324 HB3 SER 42 HB2 SER 42 -6.744 9.831 2.560 325 HG SER 42 HG SER 42 -8.459 9.195 3.716 326 H THR 43 H THR 43 -6.113 5.709 1.214 327 HA THR 43 HA THR 43 -8.662 6.196 -0.190 328 HB THR 43 HB THR 43 -7.731 4.503 -1.848 329 HG1 THR 43 HG1 THR 43 -5.147 4.652 -1.118 330 HG21 THR 43 HG21 THR 43 -5.948 5.972 -2.789 331 HG22 THR 43 HG22 THR 43 -5.971 6.922 -1.305 332 HG23 THR 43 HG23 THR 43 -7.394 6.884 -2.343 333 H GLY 44 H GLY 44 -10.155 4.477 -0.556 334 HA2 GLY 44 HA3 GLY 44 -10.556 2.674 1.649 335 HA3 GLY 44 HA2 GLY 44 -11.539 2.793 0.198 336 H ASN 45 H ASN 45 -9.194 2.396 -1.540 337 HA ASN 45 HA ASN 45 -8.004 -0.168 -1.012 338 HB2 ASN 45 HB3 ASN 45 -10.266 -0.927 -1.771 339 HB3 ASN 45 HB2 ASN 45 -10.109 0.027 -3.242 340 HD21 ASN 45 HD21 ASN 45 -10.162 -1.611 -4.726 341 HD22 ASN 45 HD22 ASN 45 -9.019 -2.905 -4.810 342 H VAL 46 H VAL 46 -6.282 -0.555 -2.399 343 HA VAL 46 HA VAL 46 -5.950 1.070 -4.842 344 HB VAL 46 HB VAL 46 -3.462 1.216 -4.401 345 HG11 VAL 46 HG11 VAL 46 -4.897 3.190 -4.016 346 HG12 VAL 46 HG12 VAL 46 -3.545 3.149 -2.886 347 HG13 VAL 46 HG13 VAL 46 -5.161 2.686 -2.343 348 HG21 VAL 46 HG21 VAL 46 -3.254 -0.569 -2.751 349 HG22 VAL 46 HG22 VAL 46 -4.231 0.339 -1.600 350 HG23 VAL 46 HG23 VAL 46 -2.644 0.943 -2.080 351 H THR 47 H THR 47 -4.939 -0.015 -6.488 352 HA THR 47 HA THR 47 -4.419 -2.924 -6.332 353 HB THR 47 HB THR 47 -5.788 -3.122 -8.452 354 HG1 THR 47 HG1 THR 47 -6.763 -1.398 -9.238 355 HG21 THR 47 HG21 THR 47 -6.776 -3.792 -6.270 356 HG22 THR 47 HG22 THR 47 -7.990 -3.136 -7.368 357 HG23 THR 47 HG23 THR 47 -7.374 -2.145 -6.044 358 H ARG 48 H ARG 48 -3.878 -3.410 -9.008 359 HA ARG 48 HA ARG 48 -1.253 -2.351 -9.254 360 HB2 ARG 48 HB3 ARG 48 -1.775 -4.564 -10.187 361 HB3 ARG 48 HB2 ARG 48 -2.936 -3.856 -11.308 362 HG2 ARG 48 HG3 ARG 48 -1.060 -2.621 -12.421 363 HG3 ARG 48 HG2 ARG 48 0.073 -3.399 -11.325 364 HD2 ARG 48 HD3 ARG 48 -0.534 -5.599 -12.290 365 HD3 ARG 48 HD2 ARG 48 -1.644 -4.788 -13.407 366 HE ARG 48 HE ARG 48 1.253 -4.190 -13.337 367 HH11 ARG 48 HH11 ARG 48 -1.592 -5.050 -15.217 368 HH12 ARG 48 HH12 ARG 48 -0.771 -4.911 -16.741 369 HH21 ARG 48 HH21 ARG 48 2.316 -3.953 -15.309 370 HH22 ARG 48 HH22 ARG 48 1.467 -4.282 -16.792 371 H GLU 49 H GLU 49 -4.206 -1.696 -11.146 372 HA GLU 49 HA GLU 49 -3.010 0.160 -12.975 373 HB2 GLU 49 HB3 GLU 49 -4.989 -1.201 -13.537 374 HB3 GLU 49 HB2 GLU 49 -5.929 -0.417 -12.277 375 HG2 GLU 49 HG3 GLU 49 -6.617 0.434 -14.425 376 HG3 GLU 49 HG2 GLU 49 -5.796 1.716 -13.546 377 H THR 50 H THR 50 -4.270 0.457 -9.759 378 HA THR 50 HA THR 50 -4.986 3.154 -9.611 379 HB THR 50 HB THR 50 -3.715 1.382 -7.495 380 HG1 THR 50 HG1 THR 50 -5.911 0.955 -8.462 381 HG21 THR 50 HG21 THR 50 -4.583 2.975 -5.818 382 HG22 THR 50 HG22 THR 50 -5.108 4.060 -7.103 383 HG23 THR 50 HG23 THR 50 -3.388 3.754 -6.855 384 H ASP 51 H ASP 51 -3.883 4.923 -9.879 385 HA ASP 51 HA ASP 51 -0.952 5.039 -9.828 386 HB2 ASP 51 HB3 ASP 51 -2.990 7.191 -10.554 387 HB3 ASP 51 HB2 ASP 51 -1.249 7.307 -10.772 388 H PHE 52 H PHE 52 0.148 6.098 -8.236 389 HA PHE 52 HA PHE 52 -0.966 6.730 -5.750 390 HB2 PHE 52 HB3 PHE 52 1.483 6.230 -6.278 391 HB3 PHE 52 HB2 PHE 52 1.631 7.867 -6.896 392 HD1 PHE 52 HD1 PHE 52 1.382 5.776 -3.918 393 HD2 PHE 52 HD2 PHE 52 1.529 9.805 -5.330 394 HE1 PHE 52 HE1 PHE 52 1.879 6.549 -1.642 395 HE2 PHE 52 HE2 PHE 52 2.022 10.575 -3.053 396 HZ PHE 52 HZ PHE 52 2.196 8.950 -1.208 397 H PHE 53 H PHE 53 -0.135 8.753 -8.507 398 HA PHE 53 HA PHE 53 -0.538 11.277 -7.254 399 HB2 PHE 53 HB3 PHE 53 -0.308 10.577 -10.218 400 HB3 PHE 53 HB2 PHE 53 -0.155 12.194 -9.533 401 HD1 PHE 53 HD1 PHE 53 1.545 8.981 -10.079 402 HD2 PHE 53 HD2 PHE 53 1.852 12.790 -8.150 403 HE1 PHE 53 HE1 PHE 53 3.954 8.604 -9.715 404 HE2 PHE 53 HE2 PHE 53 4.258 12.400 -7.800 405 HZ PHE 53 HZ PHE 53 5.308 10.311 -8.569 406 H GLN 54 H GLN 54 -2.525 9.278 -9.417 407 HA GLN 54 HA GLN 54 -4.587 11.153 -9.940 408 HB2 GLN 54 HB3 GLN 54 -4.233 9.203 -11.365 409 HB3 GLN 54 HB2 GLN 54 -4.611 8.111 -10.042 410 HG2 GLN 54 HG3 GLN 54 -6.937 8.792 -10.070 411 HG3 GLN 54 HG2 GLN 54 -6.603 10.060 -11.246 412 HE21 GLN 54 HE21 GLN 54 -5.201 6.811 -11.476 413 HE22 GLN 54 HE22 GLN 54 -6.119 6.323 -12.849 414 H GLN 55 H GLN 55 -4.056 8.902 -7.318 415 HA GLN 55 HA GLN 55 -6.728 9.158 -6.189 416 HB2 GLN 55 HB3 GLN 55 -4.243 7.723 -5.192 417 HB3 GLN 55 HB2 GLN 55 -5.821 7.643 -4.416 418 HG2 GLN 55 HG3 GLN 55 -5.135 6.650 -7.192 419 HG3 GLN 55 HG2 GLN 55 -5.431 5.662 -5.766 420 HE21 GLN 55 HE21 GLN 55 -7.754 7.158 -4.835 421 HE22 GLN 55 HE22 GLN 55 -9.030 6.829 -5.947 422 H GLY 56 H GLY 56 -4.944 11.566 -6.388 423 HA2 GLY 56 HA3 GLY 56 -5.138 13.540 -5.171 424 HA3 GLY 56 HA2 GLY 56 -5.550 12.623 -3.730 425 H GLY 57 H GLY 57 -2.899 11.169 -5.111 426 HA2 GLY 57 HA3 GLY 57 -1.097 12.141 -3.085 427 HA3 GLY 57 HA2 GLY 57 -0.764 10.904 -4.285 428 H ASP 58 H ASP 58 1.093 12.798 -3.540 429 HA ASP 58 HA ASP 58 1.423 14.412 -6.001 430 HB2 ASP 58 HB3 ASP 58 0.688 15.874 -4.119 431 HB3 ASP 58 HB2 ASP 58 2.030 15.300 -3.138 432 H SER 59 H SER 59 3.736 14.997 -6.359 433 HA SER 59 HA SER 59 5.527 12.883 -6.330 434 HB2 SER 59 HB3 SER 59 7.250 14.664 -6.867 435 HB3 SER 59 HB2 SER 59 5.783 14.757 -7.843 436 HG SER 59 HG SER 59 5.193 16.237 -5.854 437 H LEU 60 H LEU 60 5.128 15.475 -3.940 438 HA LEU 60 HA LEU 60 7.421 14.910 -2.342 439 HB2 LEU 60 HB3 LEU 60 6.135 17.089 -2.522 440 HB3 LEU 60 HB2 LEU 60 4.837 16.373 -1.602 441 HG LEU 60 HG LEU 60 6.334 17.962 -0.332 442 HD11 LEU 60 HD11 LEU 60 4.953 16.373 0.904 443 HD12 LEU 60 HD12 LEU 60 6.473 16.688 1.735 444 HD13 LEU 60 HD13 LEU 60 6.249 15.175 0.851 445 HD21 LEU 60 HD21 LEU 60 8.409 15.769 -0.585 446 HD22 LEU 60 HD22 LEU 60 8.547 17.234 0.394 447 HD23 LEU 60 HD23 LEU 60 8.462 17.355 -1.360 448 H LEU 61 H LEU 61 3.964 14.096 -2.082 449 HA LEU 61 HA LEU 61 3.994 12.576 0.285 450 HB2 LEU 61 HB3 LEU 61 2.042 13.457 -1.451 451 HB3 LEU 61 HB2 LEU 61 2.078 11.767 -1.896 452 HG LEU 61 HG LEU 61 1.363 12.954 0.818 453 HD11 LEU 61 HD11 LEU 61 -0.426 13.078 -0.834 454 HD12 LEU 61 HD12 LEU 61 -0.832 11.926 0.433 455 HD13 LEU 61 HD13 LEU 61 -0.300 11.344 -1.148 456 HD21 LEU 61 HD21 LEU 61 2.644 10.916 1.237 457 HD22 LEU 61 HD22 LEU 61 1.601 10.007 0.143 458 HD23 LEU 61 HD23 LEU 61 0.943 10.681 1.637 459 H ALA 62 H ALA 62 4.661 11.741 -3.075 460 HA ALA 62 HA ALA 62 4.870 8.915 -2.796 461 HB1 ALA 62 HB1 ALA 62 5.982 10.773 -4.924 462 HB2 ALA 62 HB2 ALA 62 4.396 10.000 -4.940 463 HB3 ALA 62 HB3 ALA 62 5.854 9.013 -5.056 464 H THR 63 H THR 63 7.169 11.599 -2.610 465 HA THR 63 HA THR 63 9.568 10.093 -2.381 466 HB THR 63 HB THR 63 8.942 12.911 -1.375 467 HG1 THR 63 HG1 THR 63 8.983 12.050 -3.828 468 HG21 THR 63 HG21 THR 63 11.640 11.604 -1.925 469 HG22 THR 63 HG22 THR 63 11.030 12.107 -0.346 470 HG23 THR 63 HG23 THR 63 11.392 13.317 -1.576 471 H ARG 64 H ARG 64 7.150 11.193 -0.014 472 HA ARG 64 HA ARG 64 8.567 10.419 2.347 473 HB2 ARG 64 HB3 ARG 64 5.583 10.838 1.837 474 HB3 ARG 64 HB2 ARG 64 6.261 10.486 3.424 475 HG2 ARG 64 HG3 ARG 64 7.646 12.571 3.244 476 HG3 ARG 64 HG2 ARG 64 6.808 12.947 1.736 477 HD2 ARG 64 HD3 ARG 64 4.658 13.033 2.935 478 HD3 ARG 64 HD2 ARG 64 5.475 12.613 4.448 479 HE ARG 64 HE ARG 64 6.716 14.892 3.401 480 HH11 ARG 64 HH11 ARG 64 3.596 14.019 4.784 481 HH12 ARG 64 HH12 ARG 64 3.278 15.620 5.380 482 HH21 ARG 64 HH21 ARG 64 6.269 17.007 4.171 483 HH22 ARG 64 HH22 ARG 64 4.789 17.300 5.033 484 H LEU 65 H LEU 65 6.231 8.821 0.250 485 HA LEU 65 HA LEU 65 5.551 6.538 1.669 486 HB2 LEU 65 HB3 LEU 65 4.524 7.491 -0.448 487 HB3 LEU 65 HB2 LEU 65 5.853 6.816 -1.361 488 HG LEU 65 HG LEU 65 3.649 5.556 -1.480 489 HD11 LEU 65 HD11 LEU 65 5.970 3.876 -0.516 490 HD12 LEU 65 HD12 LEU 65 5.699 4.443 -2.165 491 HD13 LEU 65 HD13 LEU 65 4.566 3.313 -1.433 492 HD21 LEU 65 HD21 LEU 65 2.977 5.790 0.865 493 HD22 LEU 65 HD22 LEU 65 4.279 4.705 1.358 494 HD23 LEU 65 HD23 LEU 65 2.964 4.108 0.343 495 H THR 66 H THR 66 8.417 7.206 -0.250 496 HA THR 66 HA THR 66 9.378 4.579 -0.641 497 HB THR 66 HB THR 66 11.497 5.617 -1.268 498 HG1 THR 66 HG1 THR 66 11.175 8.177 -0.939 499 HG21 THR 66 HG21 THR 66 10.709 7.288 -2.933 500 HG22 THR 66 HG22 THR 66 9.140 7.339 -2.133 501 HG23 THR 66 HG23 THR 66 9.688 5.853 -2.911 502 H GLY 67 H GLY 67 9.753 6.851 1.995 503 HA2 GLY 67 HA3 GLY 67 11.888 5.671 3.423 504 HA3 GLY 67 HA2 GLY 67 10.681 6.756 4.087 505 H GLN 68 H GLN 68 8.375 5.164 3.625 506 HA GLN 68 HA GLN 68 8.313 3.344 5.771 507 HB2 GLN 68 HB3 GLN 68 6.536 3.702 3.345 508 HB3 GLN 68 HB2 GLN 68 6.260 2.354 4.435 509 HG2 GLN 68 HG3 GLN 68 4.745 4.112 5.010 510 HG3 GLN 68 HG2 GLN 68 5.936 3.974 6.302 511 HE21 GLN 68 HE21 GLN 68 5.571 6.074 7.039 512 HE22 GLN 68 HE22 GLN 68 6.071 7.464 6.145 513 H LEU 69 H LEU 69 8.853 2.845 2.313 514 HA LEU 69 HA LEU 69 9.127 0.013 2.378 515 HB2 LEU 69 HB3 LEU 69 10.014 2.102 0.355 516 HB3 LEU 69 HB2 LEU 69 10.109 0.368 0.065 517 HG LEU 69 HG LEU 69 7.503 1.800 0.707 518 HD11 LEU 69 HD11 LEU 69 8.594 1.081 -2.019 519 HD12 LEU 69 HD12 LEU 69 8.375 2.705 -1.364 520 HD13 LEU 69 HD13 LEU 69 6.971 1.688 -1.679 521 HD21 LEU 69 HD21 LEU 69 8.052 -0.980 -0.385 522 HD22 LEU 69 HD22 LEU 69 6.455 -0.255 -0.176 523 HD23 LEU 69 HD23 LEU 69 7.461 -0.580 1.232 524 H HIS 70 H HIS 70 11.430 2.684 2.764 525 HA HIS 70 HA HIS 70 13.850 1.223 2.606 526 HB2 HIS 70 HB3 HIS 70 13.227 3.735 4.222 527 HB3 HIS 70 HB2 HIS 70 14.843 3.076 4.013 528 HD1 HIS 70 HD1 HIS 70 13.786 5.938 3.093 529 HD2 HIS 70 HD2 HIS 70 14.455 2.635 0.654 530 HE1 HIS 70 HE1 HIS 70 14.226 6.865 0.802 531 HE2 HIS 70 HE2 HIS 70 14.821 4.867 -0.593 532 H GLN 71 H GLN 71 11.735 1.984 5.377 533 HA GLN 71 HA GLN 71 13.316 0.581 7.333 534 HB2 GLN 71 HB3 GLN 71 10.395 1.430 7.534 535 HB3 GLN 71 HB2 GLN 71 11.456 1.003 8.873 536 HG2 GLN 71 HG3 GLN 71 12.905 2.987 8.221 537 HG3 GLN 71 HG2 GLN 71 11.631 3.454 7.098 538 HE21 GLN 71 HE21 GLN 71 12.620 4.971 9.329 539 HE22 GLN 71 HE22 GLN 71 11.300 5.216 10.411 540 H ALA 72 H ALA 72 10.934 -0.385 5.010 541 HA ALA 72 HA ALA 72 10.504 -3.035 6.185 542 HB1 ALA 72 HB1 ALA 72 8.662 -1.915 4.987 543 HB2 ALA 72 HB2 ALA 72 9.086 -3.442 4.215 544 HB3 ALA 72 HB3 ALA 72 9.608 -1.911 3.501 545 H GLY 73 H GLY 73 13.024 -1.613 4.584 546 HA2 GLY 73 HA3 GLY 73 15.039 -2.550 3.967 547 HA3 GLY 73 HA2 GLY 73 14.326 -4.149 4.073 548 H TYR 74 H TYR 74 13.115 -1.480 2.116 549 HA TYR 74 HA TYR 74 13.976 -2.819 -0.395 550 HB2 TYR 74 HB3 TYR 74 11.397 -1.205 -0.005 551 HB3 TYR 74 HB2 TYR 74 11.897 -2.038 -1.477 552 HD1 TYR 74 HD1 TYR 74 12.410 -4.670 -1.084 553 HD2 TYR 74 HD2 TYR 74 9.788 -2.288 1.315 554 HE1 TYR 74 HE1 TYR 74 11.256 -6.695 -0.323 555 HE2 TYR 74 HE2 TYR 74 8.640 -4.327 2.075 556 HH TYR 74 HH TYR 74 8.304 -6.670 1.284 557 H GLU 75 H GLU 75 15.041 -1.500 -1.829 558 HA GLU 75 HA GLU 75 15.552 1.262 -1.178 559 HB2 GLU 75 HB3 GLU 75 16.886 1.307 -3.281 560 HB3 GLU 75 HB2 GLU 75 17.358 -0.001 -2.206 561 HG2 GLU 75 HG3 GLU 75 16.344 -1.659 -3.585 562 HG3 GLU 75 HG2 GLU 75 15.489 -0.453 -4.541 563 H ALA 76 H ALA 76 14.496 3.013 -1.974 564 HA ALA 76 HA ALA 76 12.639 2.867 -4.203 565 HB1 ALA 76 HB1 ALA 76 11.608 3.353 -1.387 566 HB2 ALA 76 HB2 ALA 76 11.294 1.925 -2.373 567 HB3 ALA 76 HB3 ALA 76 10.658 3.492 -2.872 568 H GLN 77 H GLN 77 12.510 4.779 -5.175 569 HA GLN 77 HA GLN 77 13.022 7.303 -3.715 570 HB2 GLN 77 HB3 GLN 77 14.172 6.551 -6.457 571 HB3 GLN 77 HB2 GLN 77 14.217 8.168 -5.774 572 HG2 GLN 77 HG3 GLN 77 15.625 5.728 -4.666 573 HG3 GLN 77 HG2 GLN 77 16.382 7.057 -5.537 574 HE21 GLN 77 HE21 GLN 77 16.873 5.988 -2.834 575 HE22 GLN 77 HE22 GLN 77 16.697 7.324 -1.758 576 H LEU 78 H LEU 78 12.045 9.183 -4.861 577 HA LEU 78 HA LEU 78 9.404 8.886 -5.712 578 HB2 LEU 78 HB3 LEU 78 10.120 11.032 -4.930 579 HB3 LEU 78 HB2 LEU 78 11.432 11.112 -6.093 580 HG LEU 78 HG LEU 78 9.804 11.468 -7.932 581 HD11 LEU 78 HD11 LEU 78 7.652 11.415 -5.799 582 HD12 LEU 78 HD12 LEU 78 7.872 10.257 -7.115 583 HD13 LEU 78 HD13 LEU 78 7.430 11.923 -7.476 584 HD21 LEU 78 HD21 LEU 78 9.452 13.426 -5.639 585 HD22 LEU 78 HD22 LEU 78 9.100 13.749 -7.340 586 HD23 LEU 78 HD23 LEU 78 10.755 13.427 -6.833 587 H SER 79 H SER 79 12.392 8.944 -7.577 588 HA SER 79 HA SER 79 11.457 9.132 -10.182 589 HB2 SER 79 HB3 SER 79 13.867 7.569 -9.180 590 HB3 SER 79 HB2 SER 79 13.631 8.164 -10.824 591 HG SER 79 HG SER 79 13.720 10.263 -10.061 592 H ASP 80 H ASP 80 11.316 6.391 -8.038 593 HA ASP 80 HA ASP 80 10.849 4.355 -10.008 594 HB2 ASP 80 HB3 ASP 80 10.410 4.414 -6.995 595 HB3 ASP 80 HB2 ASP 80 10.132 2.983 -7.983 596 H LEU 81 H LEU 81 8.686 6.353 -7.926 597 HA LEU 81 HA LEU 81 6.248 5.136 -8.955 598 HB2 LEU 81 HB3 LEU 81 6.450 7.836 -7.536 599 HB3 LEU 81 HB2 LEU 81 5.012 6.865 -7.777 600 HG LEU 81 HG LEU 81 6.460 5.073 -6.326 601 HD11 LEU 81 HD11 LEU 81 7.677 6.189 -4.520 602 HD12 LEU 81 HD12 LEU 81 7.428 7.753 -5.296 603 HD13 LEU 81 HD13 LEU 81 8.413 6.522 -6.089 604 HD21 LEU 81 HD21 LEU 81 5.180 5.764 -4.352 605 HD22 LEU 81 HD22 LEU 81 4.187 5.808 -5.808 606 HD23 LEU 81 HD23 LEU 81 4.808 7.310 -5.124 607 H PHE 82 H PHE 82 8.308 7.757 -9.750 608 HA PHE 82 HA PHE 82 6.618 9.308 -11.438 609 HB2 PHE 82 HB3 PHE 82 8.743 10.045 -10.212 610 HB3 PHE 82 HB2 PHE 82 9.674 9.159 -11.407 611 HD1 PHE 82 HD1 PHE 82 7.665 12.159 -10.740 612 HD2 PHE 82 HD2 PHE 82 9.876 10.040 -13.727 613 HE1 PHE 82 HE1 PHE 82 7.725 14.177 -12.134 614 HE2 PHE 82 HE2 PHE 82 9.927 12.062 -15.120 615 HZ PHE 82 HZ PHE 82 8.857 14.138 -14.328 616 H ASN 83 H ASN 83 8.852 6.592 -11.899 617 HA ASN 83 HA ASN 83 8.441 6.537 -14.808 618 HB2 ASN 83 HB3 ASN 83 10.732 6.153 -13.845 619 HB3 ASN 83 HB2 ASN 83 10.140 4.687 -13.072 620 HD21 ASN 83 HD21 ASN 83 9.534 5.974 -16.358 621 HD22 ASN 83 HD22 ASN 83 10.167 4.596 -17.180 622 H HIS 84 H HIS 84 7.434 4.777 -11.914 623 HA HIS 84 HA HIS 84 5.736 2.970 -13.556 624 HB2 HIS 84 HB3 HIS 84 6.992 2.182 -10.880 625 HB3 HIS 84 HB2 HIS 84 6.081 1.151 -11.974 626 HD1 HIS 84 HD1 HIS 84 7.366 0.158 -14.002 627 HD2 HIS 84 HD2 HIS 84 9.697 2.552 -11.531 628 HE1 HIS 84 HE1 HIS 84 9.738 -0.252 -14.704 629 HE2 HIS 84 HE2 HIS 84 11.137 1.153 -13.159 630 HA PRO 85 HA PRO 85 2.946 5.347 -10.673 631 HB2 PRO 85 HB3 PRO 85 1.032 5.210 -12.957 632 HB3 PRO 85 HB2 PRO 85 1.661 6.632 -12.097 633 HG2 PRO 85 HG3 PRO 85 2.398 6.085 -14.626 634 HG3 PRO 85 HG2 PRO 85 3.539 6.810 -13.467 635 HD2 PRO 85 HD3 PRO 85 3.290 3.913 -14.303 636 HD3 PRO 85 HD2 PRO 85 4.752 4.923 -14.154 637 H ARG 86 H ARG 86 2.391 2.512 -12.706 638 HA ARG 86 HA ARG 86 0.229 1.314 -11.365 639 HB2 ARG 86 HB3 ARG 86 2.336 0.480 -13.259 640 HB3 ARG 86 HB2 ARG 86 1.927 -0.816 -12.152 641 HG2 ARG 86 HG3 ARG 86 0.704 -0.923 -14.293 642 HG3 ARG 86 HG2 ARG 86 -0.370 -0.813 -12.899 643 HD2 ARG 86 HD3 ARG 86 -0.882 1.491 -13.380 644 HD3 ARG 86 HD2 ARG 86 0.400 1.588 -14.591 645 HE ARG 86 HE ARG 86 -2.257 0.507 -14.908 646 HH11 ARG 86 HH11 ARG 86 1.005 0.514 -16.267 647 HH12 ARG 86 HH12 ARG 86 0.466 0.019 -17.842 648 HH21 ARG 86 HH21 ARG 86 -2.934 -0.111 -16.964 649 HH22 ARG 86 HH22 ARG 86 -1.772 -0.337 -18.236 650 H LEU 87 H LEU 87 0.069 0.202 -9.464 651 HA LEU 87 HA LEU 87 1.973 0.566 -7.415 652 HB2 LEU 87 HB3 LEU 87 -0.480 0.417 -7.113 653 HB3 LEU 87 HB2 LEU 87 -0.437 -1.293 -7.489 654 HG LEU 87 HG LEU 87 1.131 -0.225 -5.108 655 HD11 LEU 87 HD11 LEU 87 -1.139 0.641 -4.841 656 HD12 LEU 87 HD12 LEU 87 -0.784 -0.603 -3.651 657 HD13 LEU 87 HD13 LEU 87 -1.804 -0.983 -5.044 658 HD21 LEU 87 HD21 LEU 87 1.562 -2.562 -5.711 659 HD22 LEU 87 HD22 LEU 87 -0.160 -2.930 -5.618 660 HD23 LEU 87 HD23 LEU 87 0.726 -2.469 -4.161 661 H ALA 88 H ALA 88 1.036 -2.355 -9.257 662 HA ALA 88 HA ALA 88 2.736 -4.133 -7.786 663 HB1 ALA 88 HB1 ALA 88 0.677 -4.900 -8.910 664 HB2 ALA 88 HB2 ALA 88 2.089 -5.823 -9.423 665 HB3 ALA 88 HB3 ALA 88 1.415 -4.580 -10.481 666 H ASP 89 H ASP 89 3.181 -2.166 -10.637 667 HA ASP 89 HA ASP 89 5.683 -3.402 -11.440 668 HB2 ASP 89 HB3 ASP 89 4.315 -0.826 -12.321 669 HB3 ASP 89 HB2 ASP 89 5.802 -1.438 -13.029 670 H PHE 90 H PHE 90 4.645 -0.613 -9.534 671 HA PHE 90 HA PHE 90 7.268 0.384 -8.940 672 HB2 PHE 90 HB3 PHE 90 5.395 1.898 -8.652 673 HB3 PHE 90 HB2 PHE 90 4.569 0.782 -7.565 674 HD1 PHE 90 HD1 PHE 90 4.578 1.466 -5.338 675 HD2 PHE 90 HD2 PHE 90 7.974 2.419 -7.755 676 HE1 PHE 90 HE1 PHE 90 5.660 2.517 -3.408 677 HE2 PHE 90 HE2 PHE 90 9.048 3.476 -5.809 678 HZ PHE 90 HZ PHE 90 7.895 3.522 -3.638 679 H ALA 91 H ALA 91 5.190 -2.103 -7.603 680 HA ALA 91 HA ALA 91 6.724 -2.645 -5.243 681 HB1 ALA 91 HB1 ALA 91 4.750 -4.414 -6.742 682 HB2 ALA 91 HB2 ALA 91 4.360 -3.292 -5.435 683 HB3 ALA 91 HB3 ALA 91 5.374 -4.696 -5.112 684 H ALA 92 H ALA 92 6.690 -3.790 -8.583 685 HA ALA 92 HA ALA 92 8.533 -5.921 -8.342 686 HB1 ALA 92 HB1 ALA 92 8.662 -5.823 -10.796 687 HB2 ALA 92 HB2 ALA 92 7.843 -4.256 -10.788 688 HB3 ALA 92 HB3 ALA 92 6.994 -5.702 -10.236 689 H THR 93 H THR 93 9.031 -2.433 -8.818 690 HA THR 93 HA THR 93 11.837 -2.734 -9.525 691 HB THR 93 HB THR 93 10.514 -0.916 -10.567 692 HG1 THR 93 HG1 THR 93 12.568 0.228 -8.951 693 HG21 THR 93 HG21 THR 93 10.469 0.348 -7.807 694 HG22 THR 93 HG22 THR 93 9.075 -0.243 -8.711 695 HG23 THR 93 HG23 THR 93 9.987 1.143 -9.309 696 H LEU 94 H LEU 94 10.187 -2.828 -6.619 697 HA LEU 94 HA LEU 94 12.233 -1.645 -4.946 698 HB2 LEU 94 HB3 LEU 94 10.007 -3.561 -4.171 699 HB3 LEU 94 HB2 LEU 94 10.995 -2.619 -3.061 700 HG LEU 94 HG LEU 94 8.973 -1.522 -5.042 701 HD11 LEU 94 HD11 LEU 94 7.719 -0.841 -3.064 702 HD12 LEU 94 HD12 LEU 94 8.909 -1.625 -2.021 703 HD13 LEU 94 HD13 LEU 94 7.931 -2.589 -3.134 704 HD21 LEU 94 HD21 LEU 94 9.412 0.690 -4.064 705 HD22 LEU 94 HD22 LEU 94 10.838 0.038 -4.866 706 HD23 LEU 94 HD23 LEU 94 10.730 0.014 -3.103 707 H ARG 95 H ARG 95 14.092 -2.575 -4.504 708 HA ARG 95 HA ARG 95 14.460 -5.510 -4.750 709 HB2 ARG 95 HB3 ARG 95 16.637 -3.372 -4.959 710 HB3 ARG 95 HB2 ARG 95 16.735 -5.064 -5.443 711 HG2 ARG 95 HG3 ARG 95 15.292 -4.700 -7.339 712 HG3 ARG 95 HG2 ARG 95 14.868 -3.083 -6.781 713 HD2 ARG 95 HD3 ARG 95 17.312 -2.449 -7.102 714 HD3 ARG 95 HD2 ARG 95 17.530 -4.010 -7.897 715 HE ARG 95 HE ARG 95 16.231 -3.280 -9.702 716 HH11 ARG 95 HH11 ARG 95 16.446 -0.735 -7.266 717 HH12 ARG 95 HH12 ARG 95 15.874 0.495 -8.340 718 HH21 ARG 95 HH21 ARG 95 15.477 -1.636 -11.084 719 HH22 ARG 95 HH22 ARG 95 15.330 -0.012 -10.494 720 H LYS 96 H LYS 96 15.257 -6.553 -2.900 721 HA LYS 96 HA LYS 96 14.811 -5.227 -0.450 722 HB2 LYS 96 HB3 LYS 96 15.994 -7.964 -1.016 723 HB3 LYS 96 HB2 LYS 96 15.616 -7.382 0.606 724 HG2 LYS 96 HG3 LYS 96 13.233 -7.079 -0.096 725 HG3 LYS 96 HG2 LYS 96 13.640 -7.787 -1.662 726 HD2 LYS 96 HD3 LYS 96 14.275 -9.899 -0.552 727 HD3 LYS 96 HD2 LYS 96 13.917 -9.187 1.023 728 HE2 LYS 96 HE3 LYS 96 11.546 -8.908 0.329 729 HE3 LYS 96 HE2 LYS 96 11.924 -9.692 -1.208 730 HZ1 LYS 96 HZ1 LYS 96 12.493 -11.704 -0.035 731 HZ2 LYS 96 HZ2 LYS 96 10.947 -11.210 0.430 732 HZ3 LYS 96 HZ3 LYS 96 12.257 -10.954 1.463 733 H THR 97 H THR 97 16.059 -3.692 0.233 734 HA THR 97 HA THR 97 18.865 -3.423 -0.085 735 HB THR 97 HB THR 97 16.989 -2.014 1.872 736 HG1 THR 97 HG1 THR 97 17.181 -1.952 -0.833 737 HG21 THR 97 HG21 THR 97 19.390 -1.606 2.372 738 HG22 THR 97 HG22 THR 97 18.597 -0.153 1.757 739 HG23 THR 97 HG23 THR 97 19.643 -1.099 0.698 740 H ASP 98 H ASP 98 20.502 -3.986 1.293 741 HA ASP 98 HA ASP 98 20.334 -5.944 3.249 742 HB2 ASP 98 HB3 ASP 98 22.667 -5.214 3.893 743 HB3 ASP 98 HB2 ASP 98 22.445 -5.502 2.174 744 H VAL 99 H VAL 99 19.276 -5.845 5.127 745 HA VAL 99 HA VAL 99 18.386 -3.429 6.313 746 HB VAL 99 HB VAL 99 17.043 -5.466 6.443 747 HG11 VAL 99 HG11 VAL 99 17.569 -7.360 7.904 748 HG12 VAL 99 HG12 VAL 99 19.132 -6.642 8.304 749 HG13 VAL 99 HG13 VAL 99 18.799 -7.165 6.653 750 HG21 VAL 99 HG21 VAL 99 16.353 -5.322 8.811 751 HG22 VAL 99 HG22 VAL 99 16.659 -3.731 8.116 752 HG23 VAL 99 HG23 VAL 99 17.848 -4.464 9.195 753 HA PRO 100 HA PRO 100 22.267 -2.266 8.114 754 HB2 PRO 100 HB3 PRO 100 21.255 -0.584 10.174 755 HB3 PRO 100 HB2 PRO 100 21.594 -0.110 8.503 756 HG2 PRO 100 HG3 PRO 100 18.982 -0.875 9.743 757 HG3 PRO 100 HG2 PRO 100 19.336 0.363 8.518 758 HD2 PRO 100 HD3 PRO 100 18.223 -1.966 7.820 759 HD3 PRO 100 HD2 PRO 100 19.428 -1.183 6.772 760 H VAL 101 H VAL 101 19.792 -3.581 10.307 761 HA VAL 101 HA VAL 101 21.459 -3.988 12.570 762 HB VAL 101 HB VAL 101 18.972 -4.038 12.660 763 HG11 VAL 101 HG11 VAL 101 18.489 -5.308 10.637 764 HG12 VAL 101 HG12 VAL 101 17.701 -6.045 12.033 765 HG13 VAL 101 HG13 VAL 101 19.164 -6.769 11.357 766 HG21 VAL 101 HG21 VAL 101 20.284 -6.536 13.797 767 HG22 VAL 101 HG22 VAL 101 18.748 -5.846 14.332 768 HG23 VAL 101 HG23 VAL 101 20.245 -4.938 14.547 769 H GLU 102 H GLU 102 20.970 -5.902 9.657 770 HA GLU 102 HA GLU 102 22.614 -8.142 10.527 771 HB2 GLU 102 HB3 GLU 102 20.690 -8.088 8.698 772 HB3 GLU 102 HB2 GLU 102 21.945 -7.506 7.619 773 HG2 GLU 102 HG3 GLU 102 22.120 -10.107 9.157 774 HG3 GLU 102 HG2 GLU 102 21.449 -9.991 7.544 775 H GLN 103 H GLN 103 24.765 -7.837 10.754 776 HA GLN 103 HA GLN 103 26.005 -5.366 10.389 777 HB2 GLN 103 HB3 GLN 103 27.371 -8.053 10.810 778 HB3 GLN 103 HB2 GLN 103 28.086 -6.479 11.129 779 HG2 GLN 103 HG3 GLN 103 25.724 -7.687 12.594 780 HG3 GLN 103 HG2 GLN 103 27.367 -7.590 13.201 781 HE21 GLN 103 HE21 GLN 103 24.477 -5.797 12.493 782 HE22 GLN 103 HE22 GLN 103 24.893 -4.399 13.410 783 HA PRO 104 HA PRO 104 27.338 -6.086 6.045 784 HB2 PRO 104 HB3 PRO 104 26.980 -3.562 5.129 785 HB3 PRO 104 HB2 PRO 104 25.589 -4.589 5.526 786 HG2 PRO 104 HG3 PRO 104 26.662 -2.261 7.012 787 HG3 PRO 104 HG2 PRO 104 25.015 -2.910 6.966 788 HD2 PRO 104 HD3 PRO 104 27.043 -3.388 8.976 789 HD3 PRO 104 HD2 PRO 104 25.381 -4.019 8.923 790 H PHE 105 H PHE 105 28.863 -4.418 4.613 791 HA PHE 105 HA PHE 105 31.370 -4.088 6.147 792 HB2 PHE 105 HB3 PHE 105 30.904 -4.146 3.127 793 HB3 PHE 105 HB2 PHE 105 32.474 -3.982 3.908 794 HD1 PHE 105 HD1 PHE 105 29.773 -6.317 3.032 795 HD2 PHE 105 HD2 PHE 105 33.501 -5.907 5.090 796 HE1 PHE 105 HE1 PHE 105 29.990 -8.768 3.136 797 HE2 PHE 105 HE2 PHE 105 33.709 -8.358 5.183 798 HZ PHE 105 HZ PHE 105 31.955 -9.789 4.214 799 H VAL 106 H VAL 106 28.959 -2.300 4.344 800 HA VAL 106 HA VAL 106 30.403 0.232 4.589 801 HB VAL 106 HB VAL 106 29.133 -0.182 2.503 802 HG11 VAL 106 HG11 VAL 106 26.615 -0.201 4.199 803 HG12 VAL 106 HG12 VAL 106 27.313 -1.583 3.355 804 HG13 VAL 106 HG13 VAL 106 26.674 -0.222 2.431 805 HG21 VAL 106 HG21 VAL 106 27.926 1.976 2.376 806 HG22 VAL 106 HG22 VAL 106 29.466 2.141 3.220 807 HG23 VAL 106 HG23 VAL 106 27.960 2.098 4.139 808 H HIS 107 H HIS 107 29.919 1.817 6.103 809 HA HIS 107 HA HIS 107 27.535 1.467 7.830 810 HB2 HIS 107 HB3 HIS 107 28.744 2.105 9.822 811 HB3 HIS 107 HB2 HIS 107 29.597 0.757 9.090 812 HD1 HIS 107 HD1 HIS 107 31.994 1.189 8.275 813 HD2 HIS 107 HD2 HIS 107 30.175 4.553 9.892 814 HE1 HIS 107 HE1 HIS 107 33.838 2.843 8.634 815 HE2 HIS 107 HE2 HIS 107 32.672 4.935 9.391 816 H SER 108 H SER 108 26.612 3.407 8.601 817 HA SER 108 HA SER 108 26.757 5.590 6.767 818 HB2 SER 108 HB3 SER 108 25.280 5.339 9.420 819 HB3 SER 108 HB2 SER 108 24.972 6.560 8.183 820 HG SER 108 HG SER 108 24.699 4.544 6.782 821 HA PRO 109 HA PRO 109 30.098 7.929 8.679 822 HB2 PRO 109 HB3 PRO 109 29.396 10.515 7.906 823 HB3 PRO 109 HB2 PRO 109 30.151 9.326 6.829 824 HG2 PRO 109 HG3 PRO 109 27.242 10.021 7.097 825 HG3 PRO 109 HG2 PRO 109 28.211 9.785 5.623 826 HD2 PRO 109 HD3 PRO 109 26.598 7.841 6.513 827 HD3 PRO 109 HD2 PRO 109 28.186 7.447 5.814 828 H GLU 110 H GLU 110 26.764 8.733 9.420 829 HA GLU 110 HA GLU 110 27.557 9.743 12.099 830 HB2 GLU 110 HB3 GLU 110 25.362 10.802 12.306 831 HB3 GLU 110 HB2 GLU 110 26.166 11.389 10.863 832 HG2 GLU 110 HG3 GLU 110 24.021 9.255 10.843 833 HG3 GLU 110 HG2 GLU 110 23.693 10.968 10.635 834 H ASP 111 H ASP 111 26.402 8.891 13.910 835 HA ASP 111 HA ASP 111 25.556 6.075 13.511 836 HB2 ASP 111 HB3 ASP 111 27.844 6.367 14.523 837 HB3 ASP 111 HB2 ASP 111 27.118 7.273 15.846 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 7.163 -24.351 9.281 2 H2 GLY 1 H2 GLY 1 7.362 -23.523 7.823 3 H3 GLY 1 H3 GLY 1 7.084 -25.188 7.813 4 HA2 GLY 1 HA2 GLY 1 4.875 -24.858 8.738 5 HA3 GLY 1 HA3 GLY 1 5.168 -23.126 8.746 6 H THR 2 H THR 2 3.442 -22.660 7.352 7 HA THR 2 HA THR 2 3.079 -23.936 4.807 8 HB THR 2 HB THR 2 1.909 -21.322 5.873 9 HG1 THR 2 HG1 THR 2 0.700 -23.903 5.800 10 HG21 THR 2 HG21 THR 2 1.672 -21.480 3.414 11 HG22 THR 2 HG22 THR 2 0.106 -21.677 4.206 12 HG23 THR 2 HG23 THR 2 0.964 -23.084 3.570 13 H ILE 3 H ILE 3 4.755 -23.676 3.335 14 HA ILE 3 HA ILE 3 5.807 -21.022 2.695 15 HB ILE 3 HB ILE 3 6.230 -23.679 1.248 16 HG12 ILE 3 HG13 ILE 3 8.045 -22.261 3.257 17 HG13 ILE 3 HG12 ILE 3 7.099 -23.704 3.595 18 HG21 ILE 3 HG21 ILE 3 7.742 -21.060 0.946 19 HG22 ILE 3 HG22 ILE 3 6.642 -21.758 -0.242 20 HG23 ILE 3 HG23 ILE 3 8.157 -22.577 0.144 21 HD11 ILE 3 HD11 ILE 3 8.432 -24.929 1.927 22 HD12 ILE 3 HD12 ILE 3 9.394 -24.278 3.253 23 HD13 ILE 3 HD13 ILE 3 9.412 -23.481 1.681 24 H ASP 4 H ASP 4 4.002 -19.873 2.141 25 HA ASP 4 HA ASP 4 1.862 -20.757 0.510 26 HB2 ASP 4 HB3 ASP 4 1.694 -18.920 2.174 27 HB3 ASP 4 HB2 ASP 4 2.733 -17.911 1.174 28 H TYR 5 H TYR 5 2.128 -21.320 -1.556 29 HA TYR 5 HA TYR 5 4.198 -20.292 -3.269 30 HB2 TYR 5 HB3 TYR 5 1.799 -22.018 -4.013 31 HB3 TYR 5 HB2 TYR 5 3.275 -21.811 -4.958 32 HD1 TYR 5 HD1 TYR 5 1.643 -23.980 -2.713 33 HD2 TYR 5 HD2 TYR 5 5.528 -22.417 -3.579 34 HE1 TYR 5 HE1 TYR 5 2.671 -25.890 -1.550 35 HE2 TYR 5 HE2 TYR 5 6.546 -24.326 -2.421 36 HH TYR 5 HH TYR 5 4.817 -27.115 -1.557 37 H GLN 6 H GLN 6 1.043 -19.237 -2.537 38 HA GLN 6 HA GLN 6 0.354 -17.974 -5.034 39 HB2 GLN 6 HB3 GLN 6 -0.783 -17.551 -2.222 40 HB3 GLN 6 HB2 GLN 6 -1.500 -16.937 -3.705 41 HG2 GLN 6 HG3 GLN 6 -2.799 -18.825 -3.159 42 HG3 GLN 6 HG2 GLN 6 -1.719 -19.402 -4.431 43 HE21 GLN 6 HE21 GLN 6 -0.103 -20.918 -3.870 44 HE22 GLN 6 HE22 GLN 6 -0.134 -21.795 -2.380 45 H ALA 7 H ALA 7 2.312 -17.212 -2.313 46 HA ALA 7 HA ALA 7 2.338 -14.361 -2.408 47 HB1 ALA 7 HB1 ALA 7 4.266 -14.565 -0.906 48 HB2 ALA 7 HB2 ALA 7 4.378 -16.293 -1.260 49 HB3 ALA 7 HB3 ALA 7 2.966 -15.653 -0.419 50 H LEU 8 H LEU 8 3.807 -16.749 -4.397 51 HA LEU 8 HA LEU 8 6.221 -15.603 -5.222 52 HB2 LEU 8 HB3 LEU 8 5.153 -17.934 -5.720 53 HB3 LEU 8 HB2 LEU 8 4.376 -17.159 -7.082 54 HG LEU 8 HG LEU 8 7.403 -17.366 -6.714 55 HD11 LEU 8 HD11 LEU 8 6.424 -19.583 -6.955 56 HD12 LEU 8 HD12 LEU 8 7.341 -19.161 -8.397 57 HD13 LEU 8 HD13 LEU 8 5.575 -19.087 -8.421 58 HD21 LEU 8 HD21 LEU 8 6.816 -15.483 -8.177 59 HD22 LEU 8 HD22 LEU 8 5.828 -16.542 -9.184 60 HD23 LEU 8 HD23 LEU 8 7.575 -16.780 -9.101 61 H LYS 9 H LYS 9 6.603 -13.735 -6.238 62 HA LYS 9 HA LYS 9 4.430 -12.023 -7.104 63 HB2 LYS 9 HB3 LYS 9 7.442 -11.471 -7.097 64 HB3 LYS 9 HB2 LYS 9 6.202 -10.285 -7.480 65 HG2 LYS 9 HG3 LYS 9 6.847 -9.826 -5.248 66 HG3 LYS 9 HG2 LYS 9 5.287 -10.637 -5.134 67 HD2 LYS 9 HD3 LYS 9 6.547 -12.788 -4.670 68 HD3 LYS 9 HD2 LYS 9 8.025 -11.832 -4.576 69 HE2 LYS 9 HE3 LYS 9 7.175 -10.613 -2.657 70 HE3 LYS 9 HE2 LYS 9 5.589 -11.374 -2.825 71 HZ1 LYS 9 HZ1 LYS 9 6.632 -13.526 -2.373 72 HZ2 LYS 9 HZ2 LYS 9 6.844 -12.447 -1.089 73 HZ3 LYS 9 HZ3 LYS 9 8.128 -12.767 -2.143 74 H ARG 10 H ARG 10 3.636 -13.222 -8.887 75 HA ARG 10 HA ARG 10 5.253 -13.020 -11.366 76 HB2 ARG 10 HB3 ARG 10 4.996 -15.432 -10.444 77 HB3 ARG 10 HB2 ARG 10 3.290 -15.295 -10.842 78 HG2 ARG 10 HG3 ARG 10 4.169 -16.384 -12.717 79 HG3 ARG 10 HG2 ARG 10 4.118 -14.705 -13.248 80 HD2 ARG 10 HD3 ARG 10 6.542 -16.255 -12.288 81 HD3 ARG 10 HD2 ARG 10 6.217 -15.700 -13.930 82 HE ARG 10 HE ARG 10 6.356 -13.360 -12.838 83 HH11 ARG 10 HH11 ARG 10 8.405 -16.105 -11.925 84 HH12 ARG 10 HH12 ARG 10 9.714 -15.099 -11.394 85 HH21 ARG 10 HH21 ARG 10 8.080 -12.079 -12.078 86 HH22 ARG 10 HH22 ARG 10 9.521 -12.825 -11.476 87 H ARG 11 H ARG 11 4.308 -11.203 -12.093 88 HA ARG 11 HA ARG 11 1.734 -11.380 -13.339 89 HB2 ARG 11 HB3 ARG 11 0.694 -9.425 -12.298 90 HB3 ARG 11 HB2 ARG 11 1.035 -10.627 -11.070 91 HG2 ARG 11 HG3 ARG 11 2.607 -8.070 -11.545 92 HG3 ARG 11 HG2 ARG 11 1.442 -8.338 -10.259 93 HD2 ARG 11 HD3 ARG 11 2.924 -10.084 -9.301 94 HD3 ARG 11 HD2 ARG 11 4.099 -9.780 -10.580 95 HE ARG 11 HE ARG 11 3.874 -8.377 -8.162 96 HH11 ARG 11 HH11 ARG 11 4.400 -7.633 -11.576 97 HH12 ARG 11 HH12 ARG 11 5.266 -6.173 -11.228 98 HH21 ARG 11 HH21 ARG 11 4.978 -6.477 -7.739 99 HH22 ARG 11 HH22 ARG 11 5.594 -5.519 -9.059 100 H HIS 12 H HIS 12 1.793 -10.272 -15.216 101 HA HIS 12 HA HIS 12 4.313 -9.288 -16.145 102 HB2 HIS 12 HB3 HIS 12 1.571 -9.410 -17.468 103 HB3 HIS 12 HB2 HIS 12 3.025 -8.872 -18.306 104 HD1 HIS 12 HD1 HIS 12 1.082 -11.855 -17.700 105 HD2 HIS 12 HD2 HIS 12 5.101 -11.007 -18.306 106 HE1 HIS 12 HE1 HIS 12 2.131 -14.024 -18.389 107 HE2 HIS 12 HE2 HIS 12 4.523 -13.453 -18.883 108 H THR 13 H THR 13 4.274 -7.253 -17.631 109 HA THR 13 HA THR 13 4.058 -4.984 -15.922 110 HB THR 13 HB THR 13 5.846 -5.197 -17.661 111 HG1 THR 13 HG1 THR 13 4.219 -2.875 -18.019 112 HG21 THR 13 HG21 THR 13 5.380 -4.646 -20.023 113 HG22 THR 13 HG22 THR 13 3.651 -4.571 -19.678 114 HG23 THR 13 HG23 THR 13 4.510 -6.105 -19.543 115 HA PRO 14 HA PRO 14 -0.074 -3.228 -16.898 116 HB2 PRO 14 HB3 PRO 14 0.942 -0.556 -17.203 117 HB3 PRO 14 HB2 PRO 14 0.254 -1.268 -15.734 118 HG2 PRO 14 HG3 PRO 14 3.119 -1.028 -16.544 119 HG3 PRO 14 HG2 PRO 14 2.375 -0.846 -14.936 120 HD2 PRO 14 HD3 PRO 14 3.700 -3.068 -15.497 121 HD3 PRO 14 HD2 PRO 14 2.139 -3.183 -14.647 122 H GLU 15 H GLU 15 -1.133 -2.813 -18.725 123 HA GLU 15 HA GLU 15 0.074 -1.517 -21.028 124 HB2 GLU 15 HB3 GLU 15 0.534 -3.924 -21.483 125 HB3 GLU 15 HB2 GLU 15 -1.173 -4.303 -21.268 126 HG2 GLU 15 HG3 GLU 15 -1.746 -2.954 -23.237 127 HG3 GLU 15 HG2 GLU 15 -0.061 -2.490 -23.439 128 H ALA 16 H ALA 16 -1.314 0.151 -20.857 129 HA ALA 16 HA ALA 16 -3.118 1.464 -20.654 130 HB1 ALA 16 HB1 ALA 16 -5.243 0.794 -21.672 131 HB2 ALA 16 HB2 ALA 16 -4.700 -0.882 -21.767 132 HB3 ALA 16 HB3 ALA 16 -3.892 0.367 -22.719 133 H GLU 17 H GLU 17 -3.798 2.052 -18.707 134 HA GLU 17 HA GLU 17 -3.977 0.141 -16.575 135 HB2 GLU 17 HB3 GLU 17 -4.440 3.155 -16.569 136 HB3 GLU 17 HB2 GLU 17 -4.531 2.147 -15.126 137 HG2 GLU 17 HG3 GLU 17 -2.389 3.243 -15.197 138 HG3 GLU 17 HG2 GLU 17 -2.159 1.509 -15.431 139 H ASN 18 H ASN 18 -5.707 -1.043 -16.204 140 HA ASN 18 HA ASN 18 -8.336 0.276 -15.967 141 HB2 ASN 18 HB3 ASN 18 -8.243 -1.003 -18.160 142 HB3 ASN 18 HB2 ASN 18 -7.938 -2.478 -17.245 143 HD21 ASN 18 HD21 ASN 18 -9.849 -3.368 -18.187 144 HD22 ASN 18 HD22 ASN 18 -11.414 -2.940 -17.592 145 HA PRO 19 HA PRO 19 -6.912 -2.162 -12.235 146 HB2 PRO 19 HB3 PRO 19 -6.983 -0.178 -10.376 147 HB3 PRO 19 HB2 PRO 19 -5.638 -0.336 -11.520 148 HG2 PRO 19 HG3 PRO 19 -7.959 1.550 -11.598 149 HG3 PRO 19 HG2 PRO 19 -6.247 1.847 -11.983 150 HD2 PRO 19 HD3 PRO 19 -8.208 1.363 -13.886 151 HD3 PRO 19 HD2 PRO 19 -6.470 1.090 -14.141 152 H ALA 20 H ALA 20 -8.979 -3.232 -12.694 153 HA ALA 20 HA ALA 20 -11.071 -2.781 -10.740 154 HB1 ALA 20 HB1 ALA 20 -11.615 -1.026 -12.398 155 HB2 ALA 20 HB2 ALA 20 -12.877 -2.255 -12.328 156 HB3 ALA 20 HB3 ALA 20 -11.724 -2.248 -13.667 157 H GLU 21 H GLU 21 -9.746 -4.614 -13.438 158 HA GLU 21 HA GLU 21 -11.954 -6.447 -13.695 159 HB2 GLU 21 HB3 GLU 21 -9.152 -6.629 -14.877 160 HB3 GLU 21 HB2 GLU 21 -10.544 -7.580 -15.376 161 HG2 GLU 21 HG3 GLU 21 -10.161 -4.595 -15.717 162 HG3 GLU 21 HG2 GLU 21 -10.166 -5.818 -16.981 163 H ALA 22 H ALA 22 -8.516 -7.112 -12.980 164 HA ALA 22 HA ALA 22 -9.183 -9.054 -10.884 165 HB1 ALA 22 HB1 ALA 22 -7.834 -10.841 -11.957 166 HB2 ALA 22 HB2 ALA 22 -7.634 -9.822 -13.384 167 HB3 ALA 22 HB3 ALA 22 -9.236 -10.414 -12.942 168 H ASP 23 H ASP 23 -8.108 -6.556 -10.700 169 HA ASP 23 HA ASP 23 -5.190 -6.622 -10.923 170 HB2 ASP 23 HB3 ASP 23 -7.152 -4.328 -10.489 171 HB3 ASP 23 HB2 ASP 23 -5.413 -4.137 -10.691 172 H LEU 24 H LEU 24 -7.315 -7.355 -8.506 173 HA LEU 24 HA LEU 24 -6.542 -5.815 -6.290 174 HB2 LEU 24 HB3 LEU 24 -7.701 -8.601 -6.541 175 HB3 LEU 24 HB2 LEU 24 -7.214 -7.990 -4.969 176 HG LEU 24 HG LEU 24 -8.805 -6.101 -5.201 177 HD11 LEU 24 HD11 LEU 24 -9.714 -7.412 -7.773 178 HD12 LEU 24 HD12 LEU 24 -8.904 -5.854 -7.609 179 HD13 LEU 24 HD13 LEU 24 -10.523 -6.072 -6.953 180 HD21 LEU 24 HD21 LEU 24 -10.080 -8.841 -5.479 181 HD22 LEU 24 HD22 LEU 24 -10.860 -7.398 -4.822 182 HD23 LEU 24 HD23 LEU 24 -9.478 -8.104 -3.992 183 HA PRO 25 HA PRO 25 -2.254 -6.709 -5.746 184 HB2 PRO 25 HB3 PRO 25 -2.752 -6.507 -2.776 185 HB3 PRO 25 HB2 PRO 25 -1.614 -5.597 -3.796 186 HG2 PRO 25 HG3 PRO 25 -3.824 -4.419 -2.931 187 HG3 PRO 25 HG2 PRO 25 -3.274 -4.150 -4.602 188 HD2 PRO 25 HD3 PRO 25 -5.481 -5.958 -3.609 189 HD3 PRO 25 HD2 PRO 25 -5.457 -4.877 -5.025 190 H GLN 26 H GLN 26 -1.279 -8.614 -5.949 191 HA GLN 26 HA GLN 26 -2.009 -10.954 -4.279 192 HB2 GLN 26 HB3 GLN 26 -1.652 -10.845 -7.310 193 HB3 GLN 26 HB2 GLN 26 -1.744 -12.349 -6.399 194 HG2 GLN 26 HG3 GLN 26 -4.023 -12.001 -5.832 195 HG3 GLN 26 HG2 GLN 26 -3.953 -10.297 -6.282 196 HE21 GLN 26 HE21 GLN 26 -4.109 -9.717 -8.446 197 HE22 GLN 26 HE22 GLN 26 -4.643 -10.810 -9.672 198 H GLY 27 H GLY 27 -0.202 -11.222 -3.077 199 HA2 GLY 27 HA3 GLY 27 2.098 -12.265 -3.210 200 HA3 GLY 27 HA2 GLY 27 2.492 -10.937 -4.306 201 H ASP 28 H ASP 28 3.818 -11.449 -1.802 202 HA ASP 28 HA ASP 28 2.841 -10.021 0.399 203 HB2 ASP 28 HB3 ASP 28 5.767 -10.509 -0.317 204 HB3 ASP 28 HB2 ASP 28 5.190 -9.991 1.265 205 H ILE 29 H ILE 29 4.874 -8.930 -2.279 206 HA ILE 29 HA ILE 29 5.519 -6.361 -1.165 207 HB ILE 29 HB ILE 29 5.767 -7.304 -4.070 208 HG12 ILE 29 HG13 ILE 29 7.021 -8.813 -2.623 209 HG13 ILE 29 HG12 ILE 29 8.160 -7.784 -3.480 210 HG21 ILE 29 HG21 ILE 29 7.484 -5.550 -4.300 211 HG22 ILE 29 HG22 ILE 29 7.178 -5.009 -2.649 212 HG23 ILE 29 HG23 ILE 29 5.919 -4.854 -3.875 213 HD11 ILE 29 HD11 ILE 29 8.850 -8.089 -1.185 214 HD12 ILE 29 HD12 ILE 29 7.304 -7.489 -0.594 215 HD13 ILE 29 HD13 ILE 29 8.407 -6.403 -1.443 216 H GLU 30 H GLU 30 3.111 -7.618 -3.389 217 HA GLU 30 HA GLU 30 2.120 -5.137 -4.362 218 HB2 GLU 30 HB3 GLU 30 0.897 -7.930 -4.267 219 HB3 GLU 30 HB2 GLU 30 0.096 -6.561 -5.035 220 HG2 GLU 30 HG3 GLU 30 1.206 -7.989 -6.676 221 HG3 GLU 30 HG2 GLU 30 1.903 -6.372 -6.671 222 H LYS 31 H LYS 31 1.133 -7.317 -1.726 223 HA LYS 31 HA LYS 31 -1.099 -5.742 -0.822 224 HB2 LYS 31 HB3 LYS 31 0.486 -7.956 0.546 225 HB3 LYS 31 HB2 LYS 31 -1.015 -7.277 1.175 226 HG2 LYS 31 HG3 LYS 31 -2.260 -8.110 -0.741 227 HG3 LYS 31 HG2 LYS 31 -0.769 -8.647 -1.517 228 HD2 LYS 31 HD3 LYS 31 -1.859 -10.580 -0.574 229 HD3 LYS 31 HD2 LYS 31 -0.409 -10.253 0.369 230 HE2 LYS 31 HE3 LYS 31 -3.132 -9.262 1.263 231 HE3 LYS 31 HE2 LYS 31 -2.573 -10.886 1.641 232 HZ1 LYS 31 HZ1 LYS 31 -2.122 -9.381 3.458 233 HZ2 LYS 31 HZ2 LYS 31 -1.219 -8.363 2.462 234 HZ3 LYS 31 HZ3 LYS 31 -0.665 -9.925 2.794 235 H GLN 32 H GLN 32 2.308 -5.903 -0.023 236 HA GLN 32 HA GLN 32 2.334 -4.363 2.351 237 HB2 GLN 32 HB3 GLN 32 4.239 -5.738 1.694 238 HB3 GLN 32 HB2 GLN 32 4.496 -4.780 0.239 239 HG2 GLN 32 HG3 GLN 32 5.182 -2.862 1.584 240 HG3 GLN 32 HG2 GLN 32 4.783 -3.730 3.069 241 HE21 GLN 32 HE21 GLN 32 6.877 -3.565 3.884 242 HE22 GLN 32 HE22 GLN 32 8.200 -4.459 3.232 243 H VAL 33 H VAL 33 3.083 -3.398 -1.008 244 HA VAL 33 HA VAL 33 3.325 -0.617 -0.458 245 HB VAL 33 HB VAL 33 2.858 -2.046 -3.122 246 HG11 VAL 33 HG11 VAL 33 3.842 0.797 -2.645 247 HG12 VAL 33 HG12 VAL 33 2.281 0.340 -3.329 248 HG13 VAL 33 HG13 VAL 33 3.765 -0.020 -4.208 249 HG21 VAL 33 HG21 VAL 33 4.921 -2.791 -1.985 250 HG22 VAL 33 HG22 VAL 33 5.464 -1.118 -1.839 251 HG23 VAL 33 HG23 VAL 33 5.304 -1.858 -3.433 252 H ALA 34 H ALA 34 0.611 -2.688 -1.457 253 HA ALA 34 HA ALA 34 -1.369 -0.749 -1.916 254 HB1 ALA 34 HB1 ALA 34 -1.707 -3.143 -2.373 255 HB2 ALA 34 HB2 ALA 34 -3.004 -2.501 -1.364 256 HB3 ALA 34 HB3 ALA 34 -1.726 -3.486 -0.643 257 H ALA 35 H ALA 35 -0.306 -2.293 1.081 258 HA ALA 35 HA ALA 35 -2.228 -1.233 2.848 259 HB1 ALA 35 HB1 ALA 35 -0.798 -3.188 3.364 260 HB2 ALA 35 HB2 ALA 35 -0.699 -1.963 4.629 261 HB3 ALA 35 HB3 ALA 35 0.612 -2.135 3.460 262 H LEU 36 H LEU 36 0.952 -0.097 1.825 263 HA LEU 36 HA LEU 36 1.177 2.118 3.591 264 HB2 LEU 36 HB3 LEU 36 2.514 1.589 0.905 265 HB3 LEU 36 HB2 LEU 36 2.987 2.861 2.021 266 HG LEU 36 HG LEU 36 3.127 -0.117 2.620 267 HD11 LEU 36 HD11 LEU 36 5.376 1.807 1.954 268 HD12 LEU 36 HD12 LEU 36 4.779 0.492 0.939 269 HD13 LEU 36 HD13 LEU 36 5.572 0.129 2.470 270 HD21 LEU 36 HD21 LEU 36 2.719 1.160 4.655 271 HD22 LEU 36 HD22 LEU 36 4.064 2.242 4.287 272 HD23 LEU 36 HD23 LEU 36 4.371 0.542 4.652 273 H TRP 37 H TRP 37 0.013 1.814 0.227 274 HA TRP 37 HA TRP 37 -0.499 4.583 -0.197 275 HB2 TRP 37 HB3 TRP 37 -1.578 2.085 -1.559 276 HB3 TRP 37 HB2 TRP 37 -2.020 3.710 -2.074 277 HD1 TRP 37 HD1 TRP 37 1.639 3.109 -1.088 278 HE1 TRP 37 HE1 TRP 37 3.074 3.174 -3.215 279 HE3 TRP 37 HE3 TRP 37 -2.078 3.257 -4.583 280 HZ2 TRP 37 HZ2 TRP 37 2.708 3.265 -5.991 281 HZ3 TRP 37 HZ3 TRP 37 -1.450 3.333 -6.952 282 HH2 TRP 37 HH2 TRP 37 0.890 3.337 -7.647 283 H GLN 38 H GLN 38 -2.523 1.955 1.071 284 HA GLN 38 HA GLN 38 -4.982 3.400 1.049 285 HB2 GLN 38 HB3 GLN 38 -4.123 0.843 2.442 286 HB3 GLN 38 HB2 GLN 38 -5.750 1.491 2.611 287 HG2 GLN 38 HG3 GLN 38 -6.090 1.326 0.172 288 HG3 GLN 38 HG2 GLN 38 -4.440 0.736 -0.017 289 HE21 GLN 38 HE21 GLN 38 -5.122 -1.166 -1.007 290 HE22 GLN 38 HE22 GLN 38 -5.926 -2.432 -0.151 291 H GLN 39 H GLN 39 -2.360 3.259 3.374 292 HA GLN 39 HA GLN 39 -3.908 4.652 5.448 293 HB2 GLN 39 HB3 GLN 39 -1.008 3.707 5.390 294 HB3 GLN 39 HB2 GLN 39 -1.758 4.512 6.762 295 HG2 GLN 39 HG3 GLN 39 -2.643 1.870 5.598 296 HG3 GLN 39 HG2 GLN 39 -1.650 2.069 7.041 297 HE21 GLN 39 HE21 GLN 39 -2.616 2.828 8.942 298 HE22 GLN 39 HE22 GLN 39 -4.327 2.867 9.164 299 H LEU 40 H LEU 40 -0.842 5.228 3.687 300 HA LEU 40 HA LEU 40 -0.364 7.840 4.527 301 HB2 LEU 40 HB3 LEU 40 0.585 6.186 2.188 302 HB3 LEU 40 HB2 LEU 40 1.017 7.877 2.267 303 HG LEU 40 HG LEU 40 2.807 6.403 3.102 304 HD11 LEU 40 HD11 LEU 40 3.363 7.646 5.146 305 HD12 LEU 40 HD12 LEU 40 1.705 8.237 5.257 306 HD13 LEU 40 HD13 LEU 40 2.725 8.718 3.900 307 HD21 LEU 40 HD21 LEU 40 0.933 5.644 5.367 308 HD22 LEU 40 HD22 LEU 40 2.648 5.238 5.267 309 HD23 LEU 40 HD23 LEU 40 1.518 4.575 4.090 310 H LEU 41 H LEU 41 -1.777 6.788 1.369 311 HA LEU 41 HA LEU 41 -2.511 9.455 0.570 312 HB2 LEU 41 HB3 LEU 41 -3.551 6.793 -0.493 313 HB3 LEU 41 HB2 LEU 41 -3.779 8.351 -1.262 314 HG LEU 41 HG LEU 41 -1.122 6.938 -0.906 315 HD11 LEU 41 HD11 LEU 41 -2.753 7.334 -3.432 316 HD12 LEU 41 HD12 LEU 41 -2.516 5.814 -2.567 317 HD13 LEU 41 HD13 LEU 41 -1.144 6.606 -3.337 318 HD21 LEU 41 HD21 LEU 41 -0.211 8.714 -2.368 319 HD22 LEU 41 HD22 LEU 41 -0.792 9.331 -0.828 320 HD23 LEU 41 HD23 LEU 41 -1.760 9.555 -2.287 321 H SER 42 H SER 42 -3.944 6.976 2.481 322 HA SER 42 HA SER 42 -5.833 6.667 3.638 323 HB2 SER 42 HB3 SER 42 -6.440 9.633 3.198 324 HB3 SER 42 HB2 SER 42 -7.160 8.584 4.427 325 HG SER 42 HG SER 42 -4.431 8.551 4.473 326 H THR 43 H THR 43 -6.141 5.433 1.547 327 HA THR 43 HA THR 43 -8.466 6.347 -0.053 328 HB THR 43 HB THR 43 -7.759 4.768 -1.780 329 HG1 THR 43 HG1 THR 43 -6.998 3.027 -0.662 330 HG21 THR 43 HG21 THR 43 -6.520 6.905 -1.799 331 HG22 THR 43 HG22 THR 43 -5.491 5.584 -2.351 332 HG23 THR 43 HG23 THR 43 -5.307 6.218 -0.715 333 H GLY 44 H GLY 44 -10.078 4.714 -0.632 334 HA2 GLY 44 HA3 GLY 44 -10.944 2.970 1.462 335 HA3 GLY 44 HA2 GLY 44 -11.611 3.074 -0.166 336 H ASN 45 H ASN 45 -9.557 2.419 -1.776 337 HA ASN 45 HA ASN 45 -8.028 0.134 -0.924 338 HB2 ASN 45 HB3 ASN 45 -10.431 -0.790 -1.387 339 HB3 ASN 45 HB2 ASN 45 -10.129 -0.434 -3.079 340 HD21 ASN 45 HD21 ASN 45 -10.715 -2.982 -2.051 341 HD22 ASN 45 HD22 ASN 45 -9.363 -4.016 -2.342 342 H VAL 46 H VAL 46 -6.397 -0.310 -2.389 343 HA VAL 46 HA VAL 46 -6.327 1.094 -5.002 344 HB VAL 46 HB VAL 46 -3.822 1.320 -4.730 345 HG11 VAL 46 HG11 VAL 46 -5.262 3.274 -4.374 346 HG12 VAL 46 HG12 VAL 46 -3.867 3.330 -3.298 347 HG13 VAL 46 HG13 VAL 46 -5.447 2.859 -2.667 348 HG21 VAL 46 HG21 VAL 46 -3.464 -0.374 -2.980 349 HG22 VAL 46 HG22 VAL 46 -4.326 0.626 -1.813 350 HG23 VAL 46 HG23 VAL 46 -2.799 1.184 -2.497 351 H THR 47 H THR 47 -5.621 -0.155 -6.689 352 HA THR 47 HA THR 47 -4.923 -3.002 -6.215 353 HB THR 47 HB THR 47 -6.210 -3.517 -8.323 354 HG1 THR 47 HG1 THR 47 -6.771 -0.742 -8.170 355 HG21 THR 47 HG21 THR 47 -8.488 -3.300 -7.376 356 HG22 THR 47 HG22 THR 47 -7.880 -2.172 -6.164 357 HG23 THR 47 HG23 THR 47 -7.336 -3.851 -6.158 358 H ARG 48 H ARG 48 -4.429 -3.646 -8.930 359 HA ARG 48 HA ARG 48 -1.657 -3.342 -8.831 360 HB2 ARG 48 HB3 ARG 48 -2.525 -5.297 -9.864 361 HB3 ARG 48 HB2 ARG 48 -3.585 -4.381 -10.923 362 HG2 ARG 48 HG3 ARG 48 -1.517 -3.568 -12.132 363 HG3 ARG 48 HG2 ARG 48 -0.584 -4.724 -11.185 364 HD2 ARG 48 HD3 ARG 48 -1.652 -6.578 -12.208 365 HD3 ARG 48 HD2 ARG 48 -2.963 -5.573 -12.849 366 HE ARG 48 HE ARG 48 -0.810 -4.493 -14.023 367 HH11 ARG 48 HH11 ARG 48 -1.893 -7.843 -13.837 368 HH12 ARG 48 HH12 ARG 48 -1.182 -8.262 -15.365 369 HH21 ARG 48 HH21 ARG 48 0.075 -5.073 -16.030 370 HH22 ARG 48 HH22 ARG 48 -0.081 -6.705 -16.596 371 H GLU 49 H GLU 49 -3.956 -1.821 -11.179 372 HA GLU 49 HA GLU 49 -1.712 -0.351 -12.377 373 HB2 GLU 49 HB3 GLU 49 -4.571 -0.225 -13.338 374 HB3 GLU 49 HB2 GLU 49 -3.107 0.187 -14.211 375 HG2 GLU 49 HG3 GLU 49 -3.645 -2.638 -13.316 376 HG3 GLU 49 HG2 GLU 49 -4.326 -2.002 -14.802 377 H THR 50 H THR 50 -3.752 0.169 -9.850 378 HA THR 50 HA THR 50 -4.571 2.826 -10.080 379 HB THR 50 HB THR 50 -3.615 1.338 -7.589 380 HG1 THR 50 HG1 THR 50 -6.288 1.829 -8.424 381 HG21 THR 50 HG21 THR 50 -5.278 3.868 -7.772 382 HG22 THR 50 HG22 THR 50 -3.620 3.773 -7.183 383 HG23 THR 50 HG23 THR 50 -4.915 2.980 -6.287 384 H ASP 51 H ASP 51 -3.383 4.591 -10.387 385 HA ASP 51 HA ASP 51 -0.477 4.516 -10.025 386 HB2 ASP 51 HB3 ASP 51 -2.153 6.675 -11.343 387 HB3 ASP 51 HB2 ASP 51 -0.407 6.511 -11.414 388 H PHE 52 H PHE 52 0.569 5.763 -8.621 389 HA PHE 52 HA PHE 52 -0.591 6.544 -6.234 390 HB2 PHE 52 HB3 PHE 52 1.825 5.981 -6.579 391 HB3 PHE 52 HB2 PHE 52 2.054 7.494 -7.444 392 HD1 PHE 52 HD1 PHE 52 1.536 5.942 -4.159 393 HD2 PHE 52 HD2 PHE 52 2.169 9.622 -6.237 394 HE1 PHE 52 HE1 PHE 52 2.031 7.066 -2.036 395 HE2 PHE 52 HE2 PHE 52 2.662 10.737 -4.107 396 HZ PHE 52 HZ PHE 52 2.592 9.458 -2.014 397 H PHE 53 H PHE 53 0.582 8.602 -8.870 398 HA PHE 53 HA PHE 53 -0.184 11.074 -7.638 399 HB2 PHE 53 HB3 PHE 53 0.780 10.505 -10.471 400 HB3 PHE 53 HB2 PHE 53 0.663 12.099 -9.730 401 HD1 PHE 53 HD1 PHE 53 2.171 12.664 -7.749 402 HD2 PHE 53 HD2 PHE 53 2.715 9.105 -10.068 403 HE1 PHE 53 HE1 PHE 53 4.446 12.404 -6.838 404 HE2 PHE 53 HE2 PHE 53 4.988 8.869 -9.152 405 HZ PHE 53 HZ PHE 53 5.852 10.507 -7.535 406 H GLN 54 H GLN 54 -1.596 8.966 -10.083 407 HA GLN 54 HA GLN 54 -3.743 10.629 -10.926 408 HB2 GLN 54 HB3 GLN 54 -3.104 8.620 -12.175 409 HB3 GLN 54 HB2 GLN 54 -3.515 7.592 -10.811 410 HG2 GLN 54 HG3 GLN 54 -5.241 7.423 -12.510 411 HG3 GLN 54 HG2 GLN 54 -5.910 8.222 -11.086 412 HE21 GLN 54 HE21 GLN 54 -7.556 9.259 -12.215 413 HE22 GLN 54 HE22 GLN 54 -7.263 10.532 -13.345 414 H GLN 55 H GLN 55 -3.303 8.447 -8.213 415 HA GLN 55 HA GLN 55 -5.988 8.316 -7.277 416 HB2 GLN 55 HB3 GLN 55 -4.118 6.693 -6.741 417 HB3 GLN 55 HB2 GLN 55 -3.393 7.917 -5.709 418 HG2 GLN 55 HG3 GLN 55 -4.584 6.312 -4.353 419 HG3 GLN 55 HG2 GLN 55 -5.408 7.866 -4.269 420 HE21 GLN 55 HE21 GLN 55 -5.695 5.620 -6.984 421 HE22 GLN 55 HE22 GLN 55 -7.346 5.221 -6.708 422 H GLY 56 H GLY 56 -3.532 10.738 -7.057 423 HA2 GLY 56 HA3 GLY 56 -4.260 12.994 -6.478 424 HA3 GLY 56 HA2 GLY 56 -5.109 12.315 -5.097 425 H GLY 57 H GLY 57 -2.317 10.590 -5.235 426 HA2 GLY 57 HA3 GLY 57 -1.072 11.934 -3.046 427 HA3 GLY 57 HA2 GLY 57 -0.424 10.565 -3.940 428 H ASP 58 H ASP 58 0.451 13.442 -3.027 429 HA ASP 58 HA ASP 58 1.498 14.489 -5.572 430 HB2 ASP 58 HB3 ASP 58 0.316 16.021 -4.005 431 HB3 ASP 58 HB2 ASP 58 1.493 15.674 -2.755 432 H SER 59 H SER 59 3.817 15.249 -5.514 433 HA SER 59 HA SER 59 5.578 13.107 -5.198 434 HB2 SER 59 HB3 SER 59 7.349 14.775 -5.773 435 HB3 SER 59 HB2 SER 59 5.953 14.855 -6.840 436 HG SER 59 HG SER 59 5.499 16.802 -6.141 437 H LEU 60 H LEU 60 4.721 15.616 -2.901 438 HA LEU 60 HA LEU 60 6.930 15.437 -1.115 439 HB2 LEU 60 HB3 LEU 60 5.197 17.276 -1.183 440 HB3 LEU 60 HB2 LEU 60 4.032 16.185 -0.482 441 HG LEU 60 HG LEU 60 5.058 17.917 1.088 442 HD11 LEU 60 HD11 LEU 60 3.877 15.972 2.013 443 HD12 LEU 60 HD12 LEU 60 5.206 16.478 3.050 444 HD13 LEU 60 HD13 LEU 60 5.379 15.048 2.028 445 HD21 LEU 60 HD21 LEU 60 7.298 17.526 2.005 446 HD22 LEU 60 HD22 LEU 60 7.367 17.812 0.269 447 HD23 LEU 60 HD23 LEU 60 7.536 16.172 0.896 448 H LEU 61 H LEU 61 3.711 13.893 -1.113 449 HA LEU 61 HA LEU 61 4.166 12.127 1.071 450 HB2 LEU 61 HB3 LEU 61 1.933 12.947 0.010 451 HB3 LEU 61 HB2 LEU 61 2.139 11.656 -1.154 452 HG LEU 61 HG LEU 61 2.018 11.147 1.848 453 HD11 LEU 61 HD11 LEU 61 -0.066 12.268 1.230 454 HD12 LEU 61 HD12 LEU 61 -0.364 10.578 1.616 455 HD13 LEU 61 HD13 LEU 61 -0.340 11.105 -0.069 456 HD21 LEU 61 HD21 LEU 61 1.345 8.864 1.204 457 HD22 LEU 61 HD22 LEU 61 2.939 9.278 0.596 458 HD23 LEU 61 HD23 LEU 61 1.555 9.282 -0.495 459 H ALA 62 H ALA 62 4.757 11.934 -2.393 460 HA ALA 62 HA ALA 62 5.224 9.154 -2.650 461 HB1 ALA 62 HB1 ALA 62 6.326 11.453 -4.293 462 HB2 ALA 62 HB2 ALA 62 4.767 10.667 -4.536 463 HB3 ALA 62 HB3 ALA 62 6.255 9.759 -4.789 464 H THR 63 H THR 63 7.370 11.877 -1.891 465 HA THR 63 HA THR 63 9.833 10.515 -1.684 466 HB THR 63 HB THR 63 8.854 12.947 -0.104 467 HG1 THR 63 HG1 THR 63 8.910 13.760 -2.053 468 HG21 THR 63 HG21 THR 63 11.713 12.044 -0.656 469 HG22 THR 63 HG22 THR 63 10.913 11.972 0.914 470 HG23 THR 63 HG23 THR 63 11.242 13.536 0.165 471 H ARG 64 H ARG 64 7.205 11.002 0.642 472 HA ARG 64 HA ARG 64 8.480 9.681 2.849 473 HB2 ARG 64 HB3 ARG 64 5.595 10.536 2.385 474 HB3 ARG 64 HB2 ARG 64 6.185 9.852 3.897 475 HG2 ARG 64 HG3 ARG 64 7.816 11.765 4.061 476 HG3 ARG 64 HG2 ARG 64 7.051 12.474 2.637 477 HD2 ARG 64 HD3 ARG 64 4.961 12.748 3.808 478 HD3 ARG 64 HD2 ARG 64 5.542 11.805 5.182 479 HE ARG 64 HE ARG 64 6.707 14.423 4.434 480 HH11 ARG 64 HH11 ARG 64 5.493 12.221 6.901 481 HH12 ARG 64 HH12 ARG 64 5.855 13.303 8.210 482 HH21 ARG 64 HH21 ARG 64 7.151 15.838 6.180 483 HH22 ARG 64 HH22 ARG 64 6.788 15.339 7.802 484 H LEU 65 H LEU 65 6.518 8.615 0.175 485 HA LEU 65 HA LEU 65 5.466 6.217 1.357 486 HB2 LEU 65 HB3 LEU 65 4.484 7.558 -0.604 487 HB3 LEU 65 HB2 LEU 65 5.729 6.867 -1.622 488 HG LEU 65 HG LEU 65 3.442 5.780 -1.800 489 HD11 LEU 65 HD11 LEU 65 5.626 3.841 -0.971 490 HD12 LEU 65 HD12 LEU 65 5.422 4.545 -2.575 491 HD13 LEU 65 HD13 LEU 65 4.190 3.465 -1.931 492 HD21 LEU 65 HD21 LEU 65 2.795 5.918 0.571 493 HD22 LEU 65 HD22 LEU 65 4.019 4.716 0.988 494 HD23 LEU 65 HD23 LEU 65 2.654 4.268 -0.037 495 H THR 66 H THR 66 8.111 6.979 -0.876 496 HA THR 66 HA THR 66 9.248 4.404 -1.081 497 HB THR 66 HB THR 66 11.332 5.649 -1.764 498 HG1 THR 66 HG1 THR 66 9.946 8.081 -1.679 499 HG21 THR 66 HG21 THR 66 10.347 6.728 -3.776 500 HG22 THR 66 HG22 THR 66 8.747 6.631 -3.039 501 HG23 THR 66 HG23 THR 66 9.621 5.154 -3.460 502 H GLY 67 H GLY 67 9.771 7.086 1.159 503 HA2 GLY 67 HA3 GLY 67 11.707 6.093 2.897 504 HA3 GLY 67 HA2 GLY 67 10.408 7.187 3.360 505 H GLN 68 H GLN 68 8.220 5.401 2.867 506 HA GLN 68 HA GLN 68 8.001 3.925 5.264 507 HB2 GLN 68 HB3 GLN 68 6.416 3.550 2.693 508 HB3 GLN 68 HB2 GLN 68 5.955 2.909 4.262 509 HG2 GLN 68 HG3 GLN 68 6.129 5.841 3.528 510 HG3 GLN 68 HG2 GLN 68 4.652 4.894 3.669 511 HE21 GLN 68 HE21 GLN 68 5.485 7.311 5.120 512 HE22 GLN 68 HE22 GLN 68 5.461 6.898 6.795 513 H LEU 69 H LEU 69 9.047 3.044 2.059 514 HA LEU 69 HA LEU 69 9.236 0.206 2.562 515 HB2 LEU 69 HB3 LEU 69 10.100 1.968 0.244 516 HB3 LEU 69 HB2 LEU 69 10.381 0.232 0.271 517 HG LEU 69 HG LEU 69 7.602 1.443 0.508 518 HD11 LEU 69 HD11 LEU 69 7.271 0.929 -1.856 519 HD12 LEU 69 HD12 LEU 69 8.959 0.429 -1.999 520 HD13 LEU 69 HD13 LEU 69 8.563 2.109 -1.632 521 HD21 LEU 69 HD21 LEU 69 8.513 -1.388 -0.121 522 HD22 LEU 69 HD22 LEU 69 6.839 -0.824 -0.099 523 HD23 LEU 69 HD23 LEU 69 7.780 -0.834 1.389 524 H HIS 70 H HIS 70 11.402 2.987 2.757 525 HA HIS 70 HA HIS 70 13.910 1.707 2.668 526 HB2 HIS 70 HB3 HIS 70 13.081 4.197 4.232 527 HB3 HIS 70 HB2 HIS 70 14.751 3.668 4.058 528 HD1 HIS 70 HD1 HIS 70 14.202 6.392 3.076 529 HD2 HIS 70 HD2 HIS 70 13.645 3.049 0.669 530 HE1 HIS 70 HE1 HIS 70 14.340 7.227 0.714 531 HE2 HIS 70 HE2 HIS 70 14.274 5.159 -0.688 532 H GLN 71 H GLN 71 11.863 2.465 5.465 533 HA GLN 71 HA GLN 71 13.437 1.066 7.408 534 HB2 GLN 71 HB3 GLN 71 11.407 1.383 8.883 535 HB3 GLN 71 HB2 GLN 71 12.031 2.866 8.171 536 HG2 GLN 71 HG3 GLN 71 10.246 2.869 6.508 537 HG3 GLN 71 HG2 GLN 71 9.658 1.317 7.102 538 HE21 GLN 71 HE21 GLN 71 7.607 2.163 7.541 539 HE22 GLN 71 HE22 GLN 71 7.313 3.238 8.861 540 H ALA 72 H ALA 72 10.958 0.071 5.158 541 HA ALA 72 HA ALA 72 10.372 -2.470 6.423 542 HB1 ALA 72 HB1 ALA 72 9.094 -2.958 4.379 543 HB2 ALA 72 HB2 ALA 72 9.770 -1.525 3.598 544 HB3 ALA 72 HB3 ALA 72 8.713 -1.350 4.998 545 H GLY 73 H GLY 73 13.014 -1.313 4.625 546 HA2 GLY 73 HA3 GLY 73 15.027 -2.487 4.280 547 HA3 GLY 73 HA2 GLY 73 14.158 -4.012 4.388 548 H TYR 74 H TYR 74 12.985 -1.448 2.359 549 HA TYR 74 HA TYR 74 13.962 -2.795 -0.088 550 HB2 TYR 74 HB3 TYR 74 11.234 -1.450 0.329 551 HB3 TYR 74 HB2 TYR 74 11.820 -2.099 -1.205 552 HD1 TYR 74 HD1 TYR 74 12.071 -4.591 -1.505 553 HD2 TYR 74 HD2 TYR 74 10.444 -2.929 2.083 554 HE1 TYR 74 HE1 TYR 74 11.236 -6.810 -0.849 555 HE2 TYR 74 HE2 TYR 74 9.609 -5.145 2.729 556 HH TYR 74 HH TYR 74 8.982 -7.254 1.653 557 H GLU 75 H GLU 75 15.106 -1.582 -1.375 558 HA GLU 75 HA GLU 75 15.549 1.233 -0.901 559 HB2 GLU 75 HB3 GLU 75 17.307 -0.534 -1.504 560 HB3 GLU 75 HB2 GLU 75 16.659 -0.537 -3.132 561 HG2 GLU 75 HG3 GLU 75 17.801 1.916 -1.780 562 HG3 GLU 75 HG2 GLU 75 18.764 0.819 -2.754 563 H ALA 76 H ALA 76 14.340 2.805 -1.851 564 HA ALA 76 HA ALA 76 12.948 2.425 -4.405 565 HB1 ALA 76 HB1 ALA 76 10.751 3.022 -3.451 566 HB2 ALA 76 HB2 ALA 76 11.451 3.035 -1.828 567 HB3 ALA 76 HB3 ALA 76 11.363 1.529 -2.742 568 H GLN 77 H GLN 77 12.818 4.313 -5.529 569 HA GLN 77 HA GLN 77 13.369 6.877 -4.124 570 HB2 GLN 77 HB3 GLN 77 14.388 5.991 -6.867 571 HB3 GLN 77 HB2 GLN 77 14.530 7.629 -6.244 572 HG2 GLN 77 HG3 GLN 77 15.850 5.152 -5.108 573 HG3 GLN 77 HG2 GLN 77 16.642 6.459 -5.983 574 HE21 GLN 77 HE21 GLN 77 17.110 5.380 -3.297 575 HE22 GLN 77 HE22 GLN 77 17.003 6.735 -2.227 576 H LEU 78 H LEU 78 12.570 8.780 -5.255 577 HA LEU 78 HA LEU 78 9.851 8.790 -5.875 578 HB2 LEU 78 HB3 LEU 78 11.261 10.713 -5.077 579 HB3 LEU 78 HB2 LEU 78 11.989 10.826 -6.662 580 HG LEU 78 HG LEU 78 10.219 12.581 -6.061 581 HD11 LEU 78 HD11 LEU 78 9.676 11.053 -8.624 582 HD12 LEU 78 HD12 LEU 78 10.921 12.280 -8.394 583 HD13 LEU 78 HD13 LEU 78 9.222 12.726 -8.277 584 HD21 LEU 78 HD21 LEU 78 8.278 10.301 -6.515 585 HD22 LEU 78 HD22 LEU 78 7.860 12.002 -6.287 586 HD23 LEU 78 HD23 LEU 78 8.606 11.096 -4.974 587 H SER 79 H SER 79 12.670 8.555 -7.952 588 HA SER 79 HA SER 79 11.500 8.887 -10.480 589 HB2 SER 79 HB3 SER 79 13.572 7.666 -11.280 590 HB3 SER 79 HB2 SER 79 13.891 9.033 -10.212 591 HG SER 79 HG SER 79 14.275 6.329 -9.801 592 H ASP 80 H ASP 80 11.756 5.981 -8.415 593 HA ASP 80 HA ASP 80 10.757 4.149 -10.365 594 HB2 ASP 80 HB3 ASP 80 10.641 3.993 -7.325 595 HB3 ASP 80 HB2 ASP 80 10.153 2.681 -8.393 596 H LEU 81 H LEU 81 9.150 6.138 -7.858 597 HA LEU 81 HA LEU 81 6.499 5.210 -8.379 598 HB2 LEU 81 HB3 LEU 81 7.661 7.541 -6.868 599 HB3 LEU 81 HB2 LEU 81 5.955 7.629 -7.278 600 HG LEU 81 HG LEU 81 7.198 5.341 -5.700 601 HD11 LEU 81 HD11 LEU 81 5.571 7.678 -4.662 602 HD12 LEU 81 HD12 LEU 81 7.311 7.466 -4.458 603 HD13 LEU 81 HD13 LEU 81 6.198 6.322 -3.717 604 HD21 LEU 81 HD21 LEU 81 4.862 4.732 -5.183 605 HD22 LEU 81 HD22 LEU 81 5.168 4.679 -6.917 606 HD23 LEU 81 HD23 LEU 81 4.283 6.040 -6.222 607 H PHE 82 H PHE 82 8.450 7.673 -9.916 608 HA PHE 82 HA PHE 82 6.173 8.973 -11.191 609 HB2 PHE 82 HB3 PHE 82 8.251 10.208 -10.307 610 HB3 PHE 82 HB2 PHE 82 9.115 9.584 -11.710 611 HD1 PHE 82 HD1 PHE 82 8.766 10.593 -13.911 612 HD2 PHE 82 HD2 PHE 82 6.288 11.731 -10.620 613 HE1 PHE 82 HE1 PHE 82 7.863 12.466 -15.230 614 HE2 PHE 82 HE2 PHE 82 5.403 13.597 -11.941 615 HZ PHE 82 HZ PHE 82 6.187 13.976 -14.243 616 H ASN 83 H ASN 83 8.952 6.940 -12.145 617 HA ASN 83 HA ASN 83 8.205 6.812 -14.942 618 HB2 ASN 83 HB3 ASN 83 10.584 6.509 -14.165 619 HB3 ASN 83 HB2 ASN 83 10.118 4.995 -13.400 620 HD21 ASN 83 HD21 ASN 83 9.197 6.296 -16.609 621 HD22 ASN 83 HD22 ASN 83 9.861 4.980 -17.505 622 H HIS 84 H HIS 84 7.543 4.997 -12.039 623 HA HIS 84 HA HIS 84 5.800 3.111 -13.515 624 HB2 HIS 84 HB3 HIS 84 7.486 2.408 -11.063 625 HB3 HIS 84 HB2 HIS 84 6.471 1.314 -11.993 626 HD1 HIS 84 HD1 HIS 84 7.288 0.837 -14.500 627 HD2 HIS 84 HD2 HIS 84 10.074 2.660 -11.998 628 HE1 HIS 84 HE1 HIS 84 9.494 0.635 -15.684 629 HE2 HIS 84 HE2 HIS 84 11.175 1.600 -14.092 630 HA PRO 85 HA PRO 85 3.564 5.614 -10.340 631 HB2 PRO 85 HB3 PRO 85 1.335 6.192 -11.800 632 HB3 PRO 85 HB2 PRO 85 2.863 7.073 -11.996 633 HG2 PRO 85 HG3 PRO 85 1.721 4.890 -13.690 634 HG3 PRO 85 HG2 PRO 85 2.559 6.376 -14.185 635 HD2 PRO 85 HD3 PRO 85 3.767 3.905 -14.066 636 HD3 PRO 85 HD2 PRO 85 4.646 5.444 -13.904 637 H ARG 86 H ARG 86 2.507 2.754 -12.110 638 HA ARG 86 HA ARG 86 0.086 2.259 -10.639 639 HB2 ARG 86 HB3 ARG 86 1.735 0.136 -12.105 640 HB3 ARG 86 HB2 ARG 86 0.076 -0.012 -11.568 641 HG2 ARG 86 HG3 ARG 86 -0.035 0.263 -13.907 642 HG3 ARG 86 HG2 ARG 86 -0.508 1.822 -13.233 643 HD2 ARG 86 HD3 ARG 86 1.676 2.736 -13.691 644 HD3 ARG 86 HD2 ARG 86 2.272 1.162 -14.207 645 HE ARG 86 HE ARG 86 0.091 2.268 -15.747 646 HH11 ARG 86 HH11 ARG 86 3.592 1.905 -15.496 647 HH12 ARG 86 HH12 ARG 86 3.842 2.255 -17.179 648 HH21 ARG 86 HH21 ARG 86 0.482 2.771 -17.921 649 HH22 ARG 86 HH22 ARG 86 2.115 2.740 -18.525 650 H LEU 87 H LEU 87 -0.246 0.541 -9.103 651 HA LEU 87 HA LEU 87 1.515 0.526 -6.935 652 HB2 LEU 87 HB3 LEU 87 -1.005 0.046 -7.032 653 HB3 LEU 87 HB2 LEU 87 -0.599 -1.591 -7.495 654 HG LEU 87 HG LEU 87 0.205 -0.312 -4.837 655 HD11 LEU 87 HD11 LEU 87 -2.220 -0.484 -4.994 656 HD12 LEU 87 HD12 LEU 87 -1.596 -1.651 -3.837 657 HD13 LEU 87 HD13 LEU 87 -2.105 -2.188 -5.440 658 HD21 LEU 87 HD21 LEU 87 0.655 -2.610 -4.078 659 HD22 LEU 87 HD22 LEU 87 1.694 -2.163 -5.427 660 HD23 LEU 87 HD23 LEU 87 0.308 -3.223 -5.698 661 H ALA 88 H ALA 88 0.875 -2.045 -9.369 662 HA ALA 88 HA ALA 88 2.851 -3.832 -8.156 663 HB1 ALA 88 HB1 ALA 88 2.099 -5.474 -9.812 664 HB2 ALA 88 HB2 ALA 88 1.135 -4.238 -10.625 665 HB3 ALA 88 HB3 ALA 88 0.720 -4.742 -8.987 666 H ASP 89 H ASP 89 2.715 -1.544 -10.775 667 HA ASP 89 HA ASP 89 4.960 -2.482 -12.290 668 HB2 ASP 89 HB3 ASP 89 3.196 -0.914 -13.131 669 HB3 ASP 89 HB2 ASP 89 3.818 0.336 -12.063 670 H PHE 90 H PHE 90 4.518 -0.024 -9.786 671 HA PHE 90 HA PHE 90 7.212 0.689 -9.300 672 HB2 PHE 90 HB3 PHE 90 5.356 2.093 -8.560 673 HB3 PHE 90 HB2 PHE 90 4.699 0.795 -7.573 674 HD1 PHE 90 HD1 PHE 90 8.009 2.583 -7.899 675 HD2 PHE 90 HD2 PHE 90 4.944 1.152 -5.279 676 HE1 PHE 90 HE1 PHE 90 9.229 3.489 -5.962 677 HE2 PHE 90 HE2 PHE 90 6.172 2.064 -3.355 678 HZ PHE 90 HZ PHE 90 8.315 3.231 -3.692 679 H ALA 91 H ALA 91 5.070 -1.771 -7.885 680 HA ALA 91 HA ALA 91 6.789 -2.717 -5.837 681 HB1 ALA 91 HB1 ALA 91 5.216 -4.596 -5.650 682 HB2 ALA 91 HB2 ALA 91 4.484 -4.153 -7.195 683 HB3 ALA 91 HB3 ALA 91 4.350 -3.066 -5.813 684 H ALA 92 H ALA 92 6.540 -3.471 -9.249 685 HA ALA 92 HA ALA 92 8.109 -5.886 -9.262 686 HB1 ALA 92 HB1 ALA 92 6.566 -5.342 -11.106 687 HB2 ALA 92 HB2 ALA 92 8.211 -5.551 -11.709 688 HB3 ALA 92 HB3 ALA 92 7.535 -3.928 -11.522 689 H THR 93 H THR 93 8.766 -2.440 -9.575 690 HA THR 93 HA THR 93 11.591 -2.841 -10.223 691 HB THR 93 HB THR 93 11.592 -0.356 -10.576 692 HG1 THR 93 HG1 THR 93 9.794 0.054 -9.076 693 HG21 THR 93 HG21 THR 93 10.177 -0.364 -12.589 694 HG22 THR 93 HG22 THR 93 9.349 -1.814 -12.027 695 HG23 THR 93 HG23 THR 93 11.061 -1.885 -12.463 696 H LEU 94 H LEU 94 10.080 -3.067 -7.397 697 HA LEU 94 HA LEU 94 11.828 -1.424 -5.772 698 HB2 LEU 94 HB3 LEU 94 9.980 -3.716 -5.007 699 HB3 LEU 94 HB2 LEU 94 10.928 -2.795 -3.847 700 HG LEU 94 HG LEU 94 8.666 -1.758 -5.578 701 HD11 LEU 94 HD11 LEU 94 8.905 -2.015 -2.569 702 HD12 LEU 94 HD12 LEU 94 7.916 -3.013 -3.638 703 HD13 LEU 94 HD13 LEU 94 7.545 -1.304 -3.445 704 HD21 LEU 94 HD21 LEU 94 10.484 -0.160 -3.743 705 HD22 LEU 94 HD22 LEU 94 9.009 0.443 -4.504 706 HD23 LEU 94 HD23 LEU 94 10.378 -0.030 -5.502 707 H ARG 95 H ARG 95 13.576 -2.067 -4.604 708 HA ARG 95 HA ARG 95 14.838 -4.666 -5.308 709 HB2 ARG 95 HB3 ARG 95 16.505 -2.217 -4.562 710 HB3 ARG 95 HB2 ARG 95 16.970 -3.636 -5.484 711 HG2 ARG 95 HG3 ARG 95 16.934 -1.991 -7.133 712 HG3 ARG 95 HG2 ARG 95 15.329 -2.704 -7.307 713 HD2 ARG 95 HD3 ARG 95 14.428 -0.844 -5.847 714 HD3 ARG 95 HD2 ARG 95 16.028 -0.109 -5.873 715 HE ARG 95 HE ARG 95 14.014 -0.023 -7.922 716 HH11 ARG 95 HH11 ARG 95 17.483 0.232 -7.398 717 HH12 ARG 95 HH12 ARG 95 17.736 1.160 -8.838 718 HH21 ARG 95 HH21 ARG 95 14.335 1.262 -9.714 719 HH22 ARG 95 HH22 ARG 95 15.939 1.752 -10.161 720 H LYS 96 H LYS 96 15.899 -5.725 -3.547 721 HA LYS 96 HA LYS 96 14.998 -4.967 -0.886 722 HB2 LYS 96 HB3 LYS 96 16.524 -7.378 -1.953 723 HB3 LYS 96 HB2 LYS 96 16.299 -7.110 -0.226 724 HG2 LYS 96 HG3 LYS 96 13.816 -7.128 -0.584 725 HG3 LYS 96 HG2 LYS 96 14.102 -7.540 -2.280 726 HD2 LYS 96 HD3 LYS 96 15.156 -9.640 -1.659 727 HD3 LYS 96 HD2 LYS 96 15.123 -9.205 0.051 728 HE2 LYS 96 HE3 LYS 96 12.665 -9.293 0.039 729 HE3 LYS 96 HE2 LYS 96 12.681 -9.715 -1.677 730 HZ1 LYS 96 HZ1 LYS 96 12.426 -11.639 -0.159 731 HZ2 LYS 96 HZ2 LYS 96 13.976 -11.348 0.448 732 HZ3 LYS 96 HZ3 LYS 96 13.769 -11.774 -1.176 733 H THR 97 H THR 97 16.156 -3.895 0.536 734 HA THR 97 HA THR 97 18.961 -3.212 0.105 735 HB THR 97 HB THR 97 17.177 -2.445 2.474 736 HG1 THR 97 HG1 THR 97 16.970 -1.697 -0.114 737 HG21 THR 97 HG21 THR 97 19.612 -2.018 2.771 738 HG22 THR 97 HG22 THR 97 18.699 -0.512 2.656 739 HG23 THR 97 HG23 THR 97 19.623 -1.086 1.269 740 H ASP 98 H ASP 98 20.640 -4.001 1.453 741 HA ASP 98 HA ASP 98 20.346 -6.568 2.665 742 HB2 ASP 98 HB3 ASP 98 22.682 -4.599 2.800 743 HB3 ASP 98 HB2 ASP 98 22.762 -6.287 3.301 744 H VAL 99 H VAL 99 19.527 -6.981 4.604 745 HA VAL 99 HA VAL 99 19.214 -4.966 6.664 746 HB VAL 99 HB VAL 99 17.348 -6.455 6.383 747 HG11 VAL 99 HG11 VAL 99 17.431 -8.897 6.685 748 HG12 VAL 99 HG12 VAL 99 19.183 -8.821 6.887 749 HG13 VAL 99 HG13 VAL 99 18.454 -8.372 5.345 750 HG21 VAL 99 HG21 VAL 99 17.776 -5.752 8.699 751 HG22 VAL 99 HG22 VAL 99 18.768 -7.183 8.976 752 HG23 VAL 99 HG23 VAL 99 17.036 -7.356 8.675 753 HA PRO 100 HA PRO 100 23.385 -5.955 8.237 754 HB2 PRO 100 HB3 PRO 100 22.715 -4.008 10.418 755 HB3 PRO 100 HB2 PRO 100 24.017 -3.948 9.210 756 HG2 PRO 100 HG3 PRO 100 21.923 -2.292 9.060 757 HG3 PRO 100 HG2 PRO 100 22.678 -2.963 7.594 758 HD2 PRO 100 HD3 PRO 100 20.145 -3.849 8.988 759 HD3 PRO 100 HD2 PRO 100 20.456 -3.609 7.250 760 H VAL 101 H VAL 101 20.547 -5.790 10.303 761 HA VAL 101 HA VAL 101 21.746 -7.424 12.437 762 HB VAL 101 HB VAL 101 19.659 -6.729 13.744 763 HG11 VAL 101 HG11 VAL 101 21.470 -4.479 12.777 764 HG12 VAL 101 HG12 VAL 101 21.805 -5.595 14.102 765 HG13 VAL 101 HG13 VAL 101 20.476 -4.445 14.239 766 HG21 VAL 101 HG21 VAL 101 18.178 -6.172 11.841 767 HG22 VAL 101 HG22 VAL 101 19.227 -4.826 11.395 768 HG23 VAL 101 HG23 VAL 101 18.342 -4.788 12.924 769 H GLU 102 H GLU 102 21.474 -9.006 10.419 770 HA GLU 102 HA GLU 102 19.580 -10.979 11.391 771 HB2 GLU 102 HB3 GLU 102 18.389 -9.546 9.591 772 HB3 GLU 102 HB2 GLU 102 19.486 -10.284 8.431 773 HG2 GLU 102 HG3 GLU 102 18.589 -12.482 8.871 774 HG3 GLU 102 HG2 GLU 102 17.637 -11.881 10.228 775 H GLN 103 H GLN 103 22.366 -10.616 11.436 776 HA GLN 103 HA GLN 103 24.303 -11.709 11.332 777 HB2 GLN 103 HB3 GLN 103 22.423 -13.913 10.515 778 HB3 GLN 103 HB2 GLN 103 24.132 -14.173 10.239 779 HG2 GLN 103 HG3 GLN 103 23.499 -15.203 12.320 780 HG3 GLN 103 HG2 GLN 103 24.583 -13.860 12.645 781 HE21 GLN 103 HE21 GLN 103 22.637 -15.269 14.380 782 HE22 GLN 103 HE22 GLN 103 21.609 -14.040 15.023 783 HA PRO 104 HA PRO 104 25.897 -10.314 7.404 784 HB2 PRO 104 HB3 PRO 104 28.443 -11.461 7.489 785 HB3 PRO 104 HB2 PRO 104 27.985 -9.988 8.361 786 HG2 PRO 104 HG3 PRO 104 28.144 -12.800 9.389 787 HG3 PRO 104 HG2 PRO 104 28.688 -11.286 10.154 788 HD2 PRO 104 HD3 PRO 104 26.379 -12.447 10.886 789 HD3 PRO 104 HD2 PRO 104 26.524 -10.676 10.797 790 H PHE 105 H PHE 105 24.746 -11.272 5.789 791 HA PHE 105 HA PHE 105 24.735 -14.033 5.128 792 HB2 PHE 105 HB3 PHE 105 23.978 -11.629 3.410 793 HB3 PHE 105 HB2 PHE 105 23.643 -13.302 2.986 794 HD1 PHE 105 HD1 PHE 105 21.850 -14.552 4.125 795 HD2 PHE 105 HD2 PHE 105 22.662 -10.485 5.165 796 HE1 PHE 105 HE1 PHE 105 19.699 -14.415 5.318 797 HE2 PHE 105 HE2 PHE 105 20.510 -10.361 6.357 798 HZ PHE 105 HZ PHE 105 19.033 -12.328 6.435 799 H VAL 106 H VAL 106 26.803 -14.825 4.883 800 HA VAL 106 HA VAL 106 28.751 -13.549 3.116 801 HB VAL 106 HB VAL 106 30.301 -15.395 3.858 802 HG11 VAL 106 HG11 VAL 106 30.581 -14.588 6.181 803 HG12 VAL 106 HG12 VAL 106 28.977 -13.850 6.123 804 HG13 VAL 106 HG13 VAL 106 30.259 -13.257 5.066 805 HG21 VAL 106 HG21 VAL 106 29.654 -16.894 5.714 806 HG22 VAL 106 HG22 VAL 106 28.635 -17.174 4.303 807 HG23 VAL 106 HG23 VAL 106 28.005 -16.257 5.672 808 H HIS 107 H HIS 107 26.531 -14.228 1.701 809 HA HIS 107 HA HIS 107 26.496 -16.715 0.408 810 HB2 HIS 107 HB3 HIS 107 24.555 -15.272 0.246 811 HB3 HIS 107 HB2 HIS 107 25.494 -13.975 -0.487 812 HD1 HIS 107 HD1 HIS 107 25.466 -13.882 -2.989 813 HD2 HIS 107 HD2 HIS 107 24.350 -17.645 -1.593 814 HE1 HIS 107 HE1 HIS 107 24.827 -15.200 -5.027 815 HE2 HIS 107 HE2 HIS 107 23.988 -17.392 -4.143 816 H SER 108 H SER 108 28.385 -17.462 -0.351 817 HA SER 108 HA SER 108 30.089 -15.802 -2.111 818 HB2 SER 108 HB3 SER 108 31.162 -16.714 -0.051 819 HB3 SER 108 HB2 SER 108 30.769 -18.353 -0.570 820 HG SER 108 HG SER 108 32.210 -18.180 -2.218 821 HA PRO 109 HA PRO 109 28.289 -18.694 -5.254 822 HB2 PRO 109 HB3 PRO 109 29.294 -16.672 -7.205 823 HB3 PRO 109 HB2 PRO 109 27.638 -17.256 -6.946 824 HG2 PRO 109 HG3 PRO 109 28.366 -14.761 -6.257 825 HG3 PRO 109 HG2 PRO 109 27.174 -15.681 -5.312 826 HD2 PRO 109 HD3 PRO 109 30.107 -15.242 -4.732 827 HD3 PRO 109 HD2 PRO 109 28.707 -15.138 -3.632 828 H GLU 110 H GLU 110 29.624 -20.417 -5.507 829 HA GLU 110 HA GLU 110 32.080 -20.204 -7.046 830 HB2 GLU 110 HB3 GLU 110 32.791 -19.754 -4.658 831 HB3 GLU 110 HB2 GLU 110 32.179 -21.339 -4.208 832 HG2 GLU 110 HG3 GLU 110 33.820 -22.407 -5.716 833 HG3 GLU 110 HG2 GLU 110 34.443 -20.820 -6.169 834 H ASP 111 H ASP 111 32.206 -21.976 -8.352 835 HA ASP 111 HA ASP 111 30.340 -24.195 -7.986 836 HB2 ASP 111 HB3 ASP 111 31.013 -24.922 -10.223 837 HB3 ASP 111 HB2 ASP 111 30.641 -23.206 -10.246 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 3.582 -29.197 7.328 2 H2 GLY 1 H2 GLY 1 3.652 -27.538 7.643 3 H3 GLY 1 H3 GLY 1 4.799 -28.575 8.321 4 HA2 GLY 1 HA2 GLY 1 5.767 -27.377 6.484 5 HA3 GLY 1 HA3 GLY 1 5.680 -29.101 6.144 6 H THR 2 H THR 2 4.641 -25.950 5.195 7 HA THR 2 HA THR 2 2.626 -26.851 3.309 8 HB THR 2 HB THR 2 2.130 -24.717 4.256 9 HG1 THR 2 HG1 THR 2 3.024 -23.575 1.930 10 HG21 THR 2 HG21 THR 2 4.385 -24.040 5.022 11 HG22 THR 2 HG22 THR 2 3.588 -22.741 4.136 12 HG23 THR 2 HG23 THR 2 4.848 -23.693 3.351 13 H ILE 3 H ILE 3 5.881 -25.373 3.076 14 HA ILE 3 HA ILE 3 7.260 -24.882 1.379 15 HB ILE 3 HB ILE 3 6.542 -27.699 0.438 16 HG12 ILE 3 HG13 ILE 3 8.849 -28.273 1.490 17 HG13 ILE 3 HG12 ILE 3 8.754 -26.721 2.306 18 HG21 ILE 3 HG21 ILE 3 8.923 -25.982 -0.374 19 HG22 ILE 3 HG22 ILE 3 7.566 -26.439 -1.406 20 HG23 ILE 3 HG23 ILE 3 8.682 -27.673 -0.823 21 HD11 ILE 3 HD11 ILE 3 6.830 -29.022 2.629 22 HD12 ILE 3 HD12 ILE 3 6.730 -27.475 3.470 23 HD13 ILE 3 HD13 ILE 3 8.098 -28.550 3.761 24 H ASP 4 H ASP 4 5.982 -23.172 0.575 25 HA ASP 4 HA ASP 4 4.061 -23.485 -1.532 26 HB2 ASP 4 HB3 ASP 4 5.532 -20.987 -0.580 27 HB3 ASP 4 HB2 ASP 4 4.197 -20.991 -1.726 28 H TYR 5 H TYR 5 5.000 -24.635 -3.176 29 HA TYR 5 HA TYR 5 7.467 -23.776 -4.483 30 HB2 TYR 5 HB3 TYR 5 6.997 -26.194 -4.192 31 HB3 TYR 5 HB2 TYR 5 5.521 -26.041 -5.140 32 HD1 TYR 5 HD1 TYR 5 9.253 -25.685 -5.374 33 HD2 TYR 5 HD2 TYR 5 5.605 -26.331 -7.511 34 HE1 TYR 5 HE1 TYR 5 10.528 -26.204 -7.405 35 HE2 TYR 5 HE2 TYR 5 6.885 -26.843 -9.545 36 HH TYR 5 HH TYR 5 10.159 -27.520 -9.516 37 H GLN 6 H GLN 6 4.011 -24.034 -5.201 38 HA GLN 6 HA GLN 6 4.010 -23.096 -7.860 39 HB2 GLN 6 HB3 GLN 6 2.168 -24.398 -6.892 40 HB3 GLN 6 HB2 GLN 6 1.803 -23.102 -5.760 41 HG2 GLN 6 HG3 GLN 6 1.141 -21.647 -7.646 42 HG3 GLN 6 HG2 GLN 6 1.506 -22.958 -8.775 43 HE21 GLN 6 HE21 GLN 6 0.114 -24.781 -8.821 44 HE22 GLN 6 HE22 GLN 6 -1.473 -24.733 -8.141 45 H ALA 7 H ALA 7 4.059 -21.384 -4.811 46 HA ALA 7 HA ALA 7 3.229 -18.818 -5.705 47 HB1 ALA 7 HB1 ALA 7 5.064 -19.527 -3.395 48 HB2 ALA 7 HB2 ALA 7 3.303 -19.466 -3.332 49 HB3 ALA 7 HB3 ALA 7 4.221 -17.989 -3.624 50 H LEU 8 H LEU 8 6.193 -20.569 -6.084 51 HA LEU 8 HA LEU 8 7.678 -18.209 -7.062 52 HB2 LEU 8 HB3 LEU 8 8.599 -20.991 -6.205 53 HB3 LEU 8 HB2 LEU 8 9.653 -19.871 -7.050 54 HG LEU 8 HG LEU 8 10.210 -19.753 -4.721 55 HD11 LEU 8 HD11 LEU 8 8.582 -17.289 -5.403 56 HD12 LEU 8 HD12 LEU 8 10.235 -17.616 -5.926 57 HD13 LEU 8 HD13 LEU 8 9.886 -17.392 -4.215 58 HD21 LEU 8 HD21 LEU 8 8.139 -20.683 -3.765 59 HD22 LEU 8 HD22 LEU 8 7.303 -19.162 -4.078 60 HD23 LEU 8 HD23 LEU 8 8.641 -19.216 -2.926 61 H LYS 9 H LYS 9 5.461 -19.686 -8.523 62 HA LYS 9 HA LYS 9 6.601 -21.090 -10.714 63 HB2 LYS 9 HB3 LYS 9 4.213 -21.296 -10.223 64 HB3 LYS 9 HB2 LYS 9 3.963 -19.574 -10.482 65 HG2 LYS 9 HG3 LYS 9 3.123 -20.915 -12.364 66 HG3 LYS 9 HG2 LYS 9 4.424 -19.838 -12.879 67 HD2 LYS 9 HD3 LYS 9 6.015 -21.748 -12.794 68 HD3 LYS 9 HD2 LYS 9 4.697 -22.814 -12.292 69 HE2 LYS 9 HE3 LYS 9 3.532 -22.396 -14.415 70 HE3 LYS 9 HE2 LYS 9 4.812 -21.287 -14.912 71 HZ1 LYS 9 HZ1 LYS 9 6.371 -23.143 -14.894 72 HZ2 LYS 9 HZ2 LYS 9 5.069 -23.465 -15.920 73 HZ3 LYS 9 HZ3 LYS 9 5.146 -24.202 -14.404 74 H ARG 10 H ARG 10 5.221 -17.780 -10.687 75 HA ARG 10 HA ARG 10 7.526 -16.738 -12.126 76 HB2 ARG 10 HB3 ARG 10 5.249 -17.477 -13.652 77 HB3 ARG 10 HB2 ARG 10 5.069 -15.739 -13.458 78 HG2 ARG 10 HG3 ARG 10 6.252 -16.171 -15.519 79 HG3 ARG 10 HG2 ARG 10 7.388 -15.446 -14.379 80 HD2 ARG 10 HD3 ARG 10 8.302 -17.685 -13.870 81 HD3 ARG 10 HD2 ARG 10 7.151 -18.415 -14.991 82 HE ARG 10 HE ARG 10 8.666 -16.498 -16.379 83 HH11 ARG 10 HH11 ARG 10 9.100 -19.638 -14.837 84 HH12 ARG 10 HH12 ARG 10 10.404 -20.107 -15.884 85 HH21 ARG 10 HH21 ARG 10 10.376 -17.133 -17.746 86 HH22 ARG 10 HH22 ARG 10 11.127 -18.681 -17.535 87 H ARG 11 H ARG 11 7.702 -14.479 -12.015 88 HA ARG 11 HA ARG 11 6.143 -13.227 -9.814 89 HB2 ARG 11 HB3 ARG 11 9.120 -12.932 -10.453 90 HB3 ARG 11 HB2 ARG 11 8.260 -12.103 -9.154 91 HG2 ARG 11 HG3 ARG 11 7.860 -14.193 -7.985 92 HG3 ARG 11 HG2 ARG 11 8.501 -15.124 -9.341 93 HD2 ARG 11 HD3 ARG 11 10.116 -14.960 -7.478 94 HD3 ARG 11 HD2 ARG 11 10.737 -14.222 -8.958 95 HE ARG 11 HE ARG 11 9.551 -12.645 -6.744 96 HH11 ARG 11 HH11 ARG 11 12.127 -13.103 -9.099 97 HH12 ARG 11 HH12 ARG 11 12.941 -11.636 -8.661 98 HH21 ARG 11 HH21 ARG 11 10.619 -10.738 -6.193 99 HH22 ARG 11 HH22 ARG 11 12.085 -10.296 -7.014 100 H HIS 12 H HIS 12 5.622 -11.088 -10.032 101 HA HIS 12 HA HIS 12 4.977 -9.170 -10.986 102 HB2 HIS 12 HB3 HIS 12 7.333 -8.606 -11.253 103 HB3 HIS 12 HB2 HIS 12 7.436 -9.541 -12.740 104 HD1 HIS 12 HD1 HIS 12 8.147 -7.578 -14.190 105 HD2 HIS 12 HD2 HIS 12 4.558 -6.863 -12.217 106 HE1 HIS 12 HE1 HIS 12 7.232 -5.470 -15.198 107 HE2 HIS 12 HE2 HIS 12 5.099 -5.023 -13.948 108 H THR 13 H THR 13 3.049 -9.574 -11.810 109 HA THR 13 HA THR 13 2.565 -10.991 -14.281 110 HB THR 13 HB THR 13 0.165 -10.315 -13.863 111 HG1 THR 13 HG1 THR 13 -0.220 -9.318 -11.766 112 HG21 THR 13 HG21 THR 13 1.554 -11.525 -11.438 113 HG22 THR 13 HG22 THR 13 1.035 -12.417 -12.871 114 HG23 THR 13 HG23 THR 13 -0.163 -11.655 -11.827 115 HA PRO 14 HA PRO 14 2.855 -7.406 -17.007 116 HB2 PRO 14 HB3 PRO 14 1.147 -8.154 -19.041 117 HB3 PRO 14 HB2 PRO 14 2.767 -8.847 -18.823 118 HG2 PRO 14 HG3 PRO 14 0.111 -9.980 -18.019 119 HG3 PRO 14 HG2 PRO 14 1.511 -10.796 -18.752 120 HD2 PRO 14 HD3 PRO 14 0.967 -10.946 -16.088 121 HD3 PRO 14 HD2 PRO 14 2.626 -11.000 -16.724 122 H GLU 15 H GLU 15 1.937 -5.471 -17.053 123 HA GLU 15 HA GLU 15 -0.464 -4.813 -15.689 124 HB2 GLU 15 HB3 GLU 15 1.566 -3.373 -15.835 125 HB3 GLU 15 HB2 GLU 15 1.266 -3.141 -17.550 126 HG2 GLU 15 HG3 GLU 15 -0.922 -2.046 -16.934 127 HG3 GLU 15 HG2 GLU 15 -0.428 -2.136 -15.243 128 H ALA 16 H ALA 16 -2.527 -4.837 -16.478 129 HA ALA 16 HA ALA 16 -2.914 -5.517 -19.312 130 HB1 ALA 16 HB1 ALA 16 -5.169 -6.201 -18.642 131 HB2 ALA 16 HB2 ALA 16 -4.870 -5.632 -16.997 132 HB3 ALA 16 HB3 ALA 16 -3.940 -6.984 -17.647 133 H GLU 17 H GLU 17 -5.257 -3.771 -17.301 134 HA GLU 17 HA GLU 17 -5.126 -1.177 -18.151 135 HB2 GLU 17 HB3 GLU 17 -5.435 -2.166 -20.513 136 HB3 GLU 17 HB2 GLU 17 -7.048 -2.662 -20.023 137 HG2 GLU 17 HG3 GLU 17 -7.644 -0.291 -19.600 138 HG3 GLU 17 HG2 GLU 17 -6.035 0.201 -20.115 139 H ASN 18 H ASN 18 -7.127 0.018 -17.624 140 HA ASN 18 HA ASN 18 -9.037 0.533 -16.552 141 HB2 ASN 18 HB3 ASN 18 -9.770 -2.430 -16.715 142 HB3 ASN 18 HB2 ASN 18 -10.862 -1.146 -16.223 143 HD21 ASN 18 HD21 ASN 18 -9.204 -2.607 -18.934 144 HD22 ASN 18 HD22 ASN 18 -10.092 -1.786 -20.169 145 HA PRO 19 HA PRO 19 -7.498 -0.684 -12.386 146 HB2 PRO 19 HB3 PRO 19 -6.582 1.722 -11.554 147 HB3 PRO 19 HB2 PRO 19 -5.648 0.706 -12.668 148 HG2 PRO 19 HG3 PRO 19 -7.208 3.176 -13.248 149 HG3 PRO 19 HG2 PRO 19 -5.719 2.574 -14.001 150 HD2 PRO 19 HD3 PRO 19 -8.362 2.278 -15.017 151 HD3 PRO 19 HD2 PRO 19 -6.895 1.485 -15.629 152 H ALA 20 H ALA 20 -9.530 -1.110 -11.507 153 HA ALA 20 HA ALA 20 -10.832 1.124 -10.097 154 HB1 ALA 20 HB1 ALA 20 -13.088 0.412 -10.766 155 HB2 ALA 20 HB2 ALA 20 -12.411 -0.851 -11.799 156 HB3 ALA 20 HB3 ALA 20 -12.132 0.850 -12.182 157 H GLU 21 H GLU 21 -11.664 -2.328 -10.591 158 HA GLU 21 HA GLU 21 -10.721 -3.103 -7.955 159 HB2 GLU 21 HB3 GLU 21 -12.875 -3.879 -7.085 160 HB3 GLU 21 HB2 GLU 21 -12.971 -2.154 -7.412 161 HG2 GLU 21 HG3 GLU 21 -14.323 -2.481 -9.349 162 HG3 GLU 21 HG2 GLU 21 -13.983 -4.211 -9.398 163 H ALA 22 H ALA 22 -11.346 -5.500 -7.588 164 HA ALA 22 HA ALA 22 -11.144 -7.672 -8.144 165 HB1 ALA 22 HB1 ALA 22 -11.867 -8.578 -10.300 166 HB2 ALA 22 HB2 ALA 22 -11.919 -6.950 -10.980 167 HB3 ALA 22 HB3 ALA 22 -13.035 -7.399 -9.693 168 H ASP 23 H ASP 23 -9.248 -5.286 -9.443 169 HA ASP 23 HA ASP 23 -7.031 -7.043 -10.217 170 HB2 ASP 23 HB3 ASP 23 -7.264 -3.982 -10.139 171 HB3 ASP 23 HB2 ASP 23 -5.889 -4.884 -10.765 172 H LEU 24 H LEU 24 -8.150 -7.011 -7.485 173 HA LEU 24 HA LEU 24 -6.772 -5.457 -5.632 174 HB2 LEU 24 HB3 LEU 24 -8.784 -6.947 -5.205 175 HB3 LEU 24 HB2 LEU 24 -7.719 -8.340 -5.290 176 HG LEU 24 HG LEU 24 -6.466 -7.393 -3.279 177 HD11 LEU 24 HD11 LEU 24 -7.564 -5.724 -1.864 178 HD12 LEU 24 HD12 LEU 24 -8.815 -5.486 -3.086 179 HD13 LEU 24 HD13 LEU 24 -7.141 -5.053 -3.439 180 HD21 LEU 24 HD21 LEU 24 -8.120 -8.155 -1.622 181 HD22 LEU 24 HD22 LEU 24 -8.045 -9.232 -3.011 182 HD23 LEU 24 HD23 LEU 24 -9.389 -8.097 -2.851 183 HA PRO 25 HA PRO 25 -2.453 -6.470 -6.197 184 HB2 PRO 25 HB3 PRO 25 -1.742 -6.480 -3.414 185 HB3 PRO 25 HB2 PRO 25 -1.702 -5.095 -4.517 186 HG2 PRO 25 HG3 PRO 25 -3.880 -5.932 -2.635 187 HG3 PRO 25 HG2 PRO 25 -3.277 -4.305 -3.018 188 HD2 PRO 25 HD3 PRO 25 -5.541 -5.061 -4.082 189 HD3 PRO 25 HD2 PRO 25 -4.351 -4.264 -5.132 190 H GLN 26 H GLN 26 -1.560 -8.336 -6.681 191 HA GLN 26 HA GLN 26 -2.110 -10.781 -5.100 192 HB2 GLN 26 HB3 GLN 26 -2.066 -10.379 -8.122 193 HB3 GLN 26 HB2 GLN 26 -1.982 -11.974 -7.377 194 HG2 GLN 26 HG3 GLN 26 -4.186 -11.797 -6.491 195 HG3 GLN 26 HG2 GLN 26 -4.259 -10.069 -6.813 196 HE21 GLN 26 HE21 GLN 26 -4.457 -13.251 -8.222 197 HE22 GLN 26 HE22 GLN 26 -5.130 -12.764 -9.735 198 H GLY 27 H GLY 27 -0.238 -11.045 -4.061 199 HA2 GLY 27 HA3 GLY 27 1.937 -12.321 -4.821 200 HA3 GLY 27 HA2 GLY 27 2.356 -10.702 -5.385 201 H ASP 28 H ASP 28 4.156 -11.258 -3.766 202 HA ASP 28 HA ASP 28 3.448 -11.124 -0.953 203 HB2 ASP 28 HB3 ASP 28 5.293 -12.600 -1.678 204 HB3 ASP 28 HB2 ASP 28 6.180 -11.208 -2.293 205 H ILE 29 H ILE 29 5.187 -9.043 -3.291 206 HA ILE 29 HA ILE 29 5.653 -6.966 -1.295 207 HB ILE 29 HB ILE 29 6.203 -6.847 -4.299 208 HG12 ILE 29 HG13 ILE 29 7.402 -8.770 -3.289 209 HG13 ILE 29 HG12 ILE 29 8.529 -7.511 -3.776 210 HG21 ILE 29 HG21 ILE 29 7.347 -5.206 -2.003 211 HG22 ILE 29 HG22 ILE 29 6.209 -4.638 -3.227 212 HG23 ILE 29 HG23 ILE 29 7.846 -5.097 -3.694 213 HD11 ILE 29 HD11 ILE 29 9.180 -8.469 -1.653 214 HD12 ILE 29 HD12 ILE 29 7.612 -8.086 -0.948 215 HD13 ILE 29 HD13 ILE 29 8.712 -6.785 -1.418 216 H GLU 30 H GLU 30 3.406 -7.709 -3.833 217 HA GLU 30 HA GLU 30 2.405 -5.184 -4.518 218 HB2 GLU 30 HB3 GLU 30 1.172 -7.966 -4.605 219 HB3 GLU 30 HB2 GLU 30 0.347 -6.556 -5.257 220 HG2 GLU 30 HG3 GLU 30 1.465 -7.902 -6.992 221 HG3 GLU 30 HG2 GLU 30 2.067 -6.248 -6.937 222 H LYS 31 H LYS 31 1.264 -7.517 -2.074 223 HA LYS 31 HA LYS 31 -0.991 -6.031 -1.171 224 HB2 LYS 31 HB3 LYS 31 -0.931 -7.593 0.809 225 HB3 LYS 31 HB2 LYS 31 -0.923 -8.399 -0.752 226 HG2 LYS 31 HG3 LYS 31 1.483 -8.827 -0.570 227 HG3 LYS 31 HG2 LYS 31 1.546 -7.957 0.966 228 HD2 LYS 31 HD3 LYS 31 0.250 -9.645 2.083 229 HD3 LYS 31 HD2 LYS 31 -0.207 -10.410 0.558 230 HE2 LYS 31 HE3 LYS 31 1.487 -11.741 1.730 231 HE3 LYS 31 HE2 LYS 31 2.127 -11.125 0.210 232 HZ1 LYS 31 HZ1 LYS 31 3.288 -9.401 1.455 233 HZ2 LYS 31 HZ2 LYS 31 3.738 -10.941 1.984 234 HZ3 LYS 31 HZ3 LYS 31 2.674 -10.006 2.913 235 H GLN 32 H GLN 32 2.391 -5.932 -0.317 236 HA GLN 32 HA GLN 32 2.166 -4.536 2.175 237 HB2 GLN 32 HB3 GLN 32 4.117 -5.912 1.634 238 HB3 GLN 32 HB2 GLN 32 4.496 -4.904 0.245 239 HG2 GLN 32 HG3 GLN 32 4.949 -3.002 1.790 240 HG3 GLN 32 HG2 GLN 32 4.626 -4.068 3.159 241 HE21 GLN 32 HE21 GLN 32 6.740 -3.802 3.973 242 HE22 GLN 32 HE22 GLN 32 8.110 -4.537 3.223 243 H VAL 33 H VAL 33 3.140 -3.562 -1.112 244 HA VAL 33 HA VAL 33 3.425 -0.795 -0.628 245 HB VAL 33 HB VAL 33 2.843 -2.271 -3.241 246 HG11 VAL 33 HG11 VAL 33 2.363 0.138 -3.504 247 HG12 VAL 33 HG12 VAL 33 3.795 -0.330 -4.419 248 HG13 VAL 33 HG13 VAL 33 3.972 0.535 -2.891 249 HG21 VAL 33 HG21 VAL 33 4.888 -3.060 -2.117 250 HG22 VAL 33 HG22 VAL 33 5.498 -1.406 -2.035 251 HG23 VAL 33 HG23 VAL 33 5.280 -2.191 -3.601 252 H ALA 34 H ALA 34 0.661 -2.777 -1.612 253 HA ALA 34 HA ALA 34 -1.216 -0.768 -2.202 254 HB1 ALA 34 HB1 ALA 34 -1.548 -3.122 -2.743 255 HB2 ALA 34 HB2 ALA 34 -2.909 -2.495 -1.811 256 HB3 ALA 34 HB3 ALA 34 -1.696 -3.520 -1.033 257 H ALA 35 H ALA 35 -0.511 -2.444 0.844 258 HA ALA 35 HA ALA 35 -2.446 -1.264 2.484 259 HB1 ALA 35 HB1 ALA 35 -1.126 -3.227 3.152 260 HB2 ALA 35 HB2 ALA 35 -0.999 -1.949 4.365 261 HB3 ALA 35 HB3 ALA 35 0.330 -2.241 3.237 262 H LEU 36 H LEU 36 0.919 -0.311 1.846 263 HA LEU 36 HA LEU 36 1.014 1.929 3.560 264 HB2 LEU 36 HB3 LEU 36 2.686 1.256 1.109 265 HB3 LEU 36 HB2 LEU 36 3.088 2.516 2.268 266 HG LEU 36 HG LEU 36 2.917 -0.459 2.918 267 HD11 LEU 36 HD11 LEU 36 5.389 1.270 2.595 268 HD12 LEU 36 HD12 LEU 36 4.845 0.004 1.492 269 HD13 LEU 36 HD13 LEU 36 5.360 -0.416 3.123 270 HD21 LEU 36 HD21 LEU 36 3.913 0.144 5.092 271 HD22 LEU 36 HD22 LEU 36 2.334 0.889 4.864 272 HD23 LEU 36 HD23 LEU 36 3.800 1.855 4.673 273 H TRP 37 H TRP 37 0.034 1.621 0.162 274 HA TRP 37 HA TRP 37 -0.196 4.446 -0.333 275 HB2 TRP 37 HB3 TRP 37 -1.274 2.003 -1.797 276 HB3 TRP 37 HB2 TRP 37 -1.641 3.643 -2.327 277 HD1 TRP 37 HD1 TRP 37 1.904 3.002 -1.046 278 HE1 TRP 37 HE1 TRP 37 3.531 3.065 -3.023 279 HE3 TRP 37 HE3 TRP 37 -1.463 3.144 -4.912 280 HZ2 TRP 37 HZ2 TRP 37 3.446 3.158 -5.809 281 HZ3 TRP 37 HZ3 TRP 37 -0.584 3.224 -7.214 282 HH2 TRP 37 HH2 TRP 37 1.822 3.229 -7.646 283 H GLN 38 H GLN 38 -2.429 1.951 0.826 284 HA GLN 38 HA GLN 38 -4.798 3.561 0.740 285 HB2 GLN 38 HB3 GLN 38 -4.124 0.956 2.148 286 HB3 GLN 38 HB2 GLN 38 -5.701 1.721 2.327 287 HG2 GLN 38 HG3 GLN 38 -6.117 1.544 -0.067 288 HG3 GLN 38 HG2 GLN 38 -4.486 0.926 -0.328 289 HE21 GLN 38 HE21 GLN 38 -5.264 -0.946 -1.329 290 HE22 GLN 38 HE22 GLN 38 -6.027 -2.219 -0.443 291 H GLN 39 H GLN 39 -2.211 3.265 3.061 292 HA GLN 39 HA GLN 39 -3.685 4.577 5.223 293 HB2 GLN 39 HB3 GLN 39 -0.707 3.926 5.067 294 HB3 GLN 39 HB2 GLN 39 -1.602 4.401 6.503 295 HG2 GLN 39 HG3 GLN 39 -1.810 1.806 4.982 296 HG3 GLN 39 HG2 GLN 39 -1.190 2.042 6.607 297 HE21 GLN 39 HE21 GLN 39 -4.028 1.702 4.640 298 HE22 GLN 39 HE22 GLN 39 -5.161 1.562 5.931 299 H LEU 40 H LEU 40 -0.795 5.281 3.248 300 HA LEU 40 HA LEU 40 -0.351 7.855 4.308 301 HB2 LEU 40 HB3 LEU 40 0.767 6.244 2.027 302 HB3 LEU 40 HB2 LEU 40 1.154 7.951 2.107 303 HG LEU 40 HG LEU 40 2.914 6.560 3.116 304 HD11 LEU 40 HD11 LEU 40 1.504 8.309 5.163 305 HD12 LEU 40 HD12 LEU 40 2.620 8.866 3.913 306 HD13 LEU 40 HD13 LEU 40 3.202 7.819 5.203 307 HD21 LEU 40 HD21 LEU 40 2.578 5.394 5.269 308 HD22 LEU 40 HD22 LEU 40 1.629 4.677 3.971 309 HD23 LEU 40 HD23 LEU 40 0.843 5.712 5.164 310 H LEU 41 H LEU 41 -1.821 6.845 1.176 311 HA LEU 41 HA LEU 41 -2.501 9.561 0.427 312 HB2 LEU 41 HB3 LEU 41 -3.667 6.960 -0.653 313 HB3 LEU 41 HB2 LEU 41 -3.803 8.541 -1.399 314 HG LEU 41 HG LEU 41 -1.269 6.916 -1.108 315 HD11 LEU 41 HD11 LEU 41 -1.321 6.708 -3.554 316 HD12 LEU 41 HD12 LEU 41 -2.867 7.560 -3.595 317 HD13 LEU 41 HD13 LEU 41 -2.746 5.989 -2.803 318 HD21 LEU 41 HD21 LEU 41 -0.191 8.662 -2.492 319 HD22 LEU 41 HD22 LEU 41 -0.718 9.269 -0.927 320 HD23 LEU 41 HD23 LEU 41 -1.656 9.638 -2.377 321 H SER 42 H SER 42 -3.851 7.144 2.441 322 HA SER 42 HA SER 42 -5.716 6.810 3.615 323 HB2 SER 42 HB3 SER 42 -6.152 9.809 3.234 324 HB3 SER 42 HB2 SER 42 -7.022 8.794 4.390 325 HG SER 42 HG SER 42 -4.673 8.240 5.027 326 H THR 43 H THR 43 -6.164 5.576 1.621 327 HA THR 43 HA THR 43 -8.525 6.546 0.096 328 HB THR 43 HB THR 43 -7.729 5.124 -1.792 329 HG1 THR 43 HG1 THR 43 -6.517 3.638 -0.427 330 HG21 THR 43 HG21 THR 43 -5.603 7.047 -0.785 331 HG22 THR 43 HG22 THR 43 -6.988 7.472 -1.791 332 HG23 THR 43 HG23 THR 43 -5.716 6.432 -2.433 333 H GLY 44 H GLY 44 -10.192 5.083 -0.284 334 HA2 GLY 44 HA3 GLY 44 -10.811 3.183 1.684 335 HA3 GLY 44 HA2 GLY 44 -11.640 3.362 0.146 336 H ASN 45 H ASN 45 -9.676 2.725 -1.645 337 HA ASN 45 HA ASN 45 -8.266 0.304 -0.955 338 HB2 ASN 45 HB3 ASN 45 -9.388 -1.181 -2.577 339 HB3 ASN 45 HB2 ASN 45 -10.544 -0.625 -1.376 340 HD21 ASN 45 HD21 ASN 45 -11.109 -1.684 -4.015 341 HD22 ASN 45 HD22 ASN 45 -11.966 -0.456 -4.876 342 H VAL 46 H VAL 46 -6.654 -0.199 -2.461 343 HA VAL 46 HA VAL 46 -6.608 1.221 -5.054 344 HB VAL 46 HB VAL 46 -4.106 1.456 -4.922 345 HG11 VAL 46 HG11 VAL 46 -4.043 3.470 -3.502 346 HG12 VAL 46 HG12 VAL 46 -5.585 3.014 -2.771 347 HG13 VAL 46 HG13 VAL 46 -5.507 3.424 -4.486 348 HG21 VAL 46 HG21 VAL 46 -4.437 0.777 -1.984 349 HG22 VAL 46 HG22 VAL 46 -2.953 1.348 -2.741 350 HG23 VAL 46 HG23 VAL 46 -3.626 -0.217 -3.192 351 H THR 47 H THR 47 -5.666 0.030 -6.726 352 HA THR 47 HA THR 47 -5.444 -2.892 -6.259 353 HB THR 47 HB THR 47 -6.315 -3.138 -8.599 354 HG1 THR 47 HG1 THR 47 -6.788 -0.324 -8.458 355 HG21 THR 47 HG21 THR 47 -8.659 -2.507 -8.139 356 HG22 THR 47 HG22 THR 47 -8.133 -1.504 -6.788 357 HG23 THR 47 HG23 THR 47 -7.917 -3.257 -6.724 358 H ARG 48 H ARG 48 -4.293 -3.934 -8.255 359 HA ARG 48 HA ARG 48 -1.576 -3.468 -8.192 360 HB2 ARG 48 HB3 ARG 48 -3.130 -4.606 -10.558 361 HB3 ARG 48 HB2 ARG 48 -1.410 -4.839 -10.261 362 HG2 ARG 48 HG3 ARG 48 -1.873 -6.219 -8.323 363 HG3 ARG 48 HG2 ARG 48 -3.599 -5.870 -8.434 364 HD2 ARG 48 HD3 ARG 48 -1.907 -7.470 -10.378 365 HD3 ARG 48 HD2 ARG 48 -3.258 -8.048 -9.396 366 HE ARG 48 HE ARG 48 -4.066 -5.959 -11.192 367 HH11 ARG 48 HH11 ARG 48 -3.400 -9.415 -11.095 368 HH12 ARG 48 HH12 ARG 48 -4.397 -9.758 -12.478 369 HH21 ARG 48 HH21 ARG 48 -5.302 -6.406 -13.043 370 HH22 ARG 48 HH22 ARG 48 -5.468 -8.056 -13.575 371 H GLU 49 H GLU 49 -3.965 -2.001 -10.323 372 HA GLU 49 HA GLU 49 -1.842 -0.783 -11.974 373 HB2 GLU 49 HB3 GLU 49 -4.723 -1.401 -12.744 374 HB3 GLU 49 HB2 GLU 49 -3.485 -0.723 -13.801 375 HG2 GLU 49 HG3 GLU 49 -2.117 -2.826 -13.441 376 HG3 GLU 49 HG2 GLU 49 -3.490 -3.481 -12.551 377 H THR 50 H THR 50 -3.799 0.089 -9.481 378 HA THR 50 HA THR 50 -4.646 2.697 -10.225 379 HB THR 50 HB THR 50 -3.892 1.567 -7.482 380 HG1 THR 50 HG1 THR 50 -6.484 2.113 -8.523 381 HG21 THR 50 HG21 THR 50 -5.398 4.146 -8.098 382 HG22 THR 50 HG22 THR 50 -3.771 4.045 -7.415 383 HG23 THR 50 HG23 THR 50 -5.153 3.445 -6.500 384 H ASP 51 H ASP 51 -3.570 4.624 -10.257 385 HA ASP 51 HA ASP 51 -0.637 4.596 -10.167 386 HB2 ASP 51 HB3 ASP 51 -2.550 6.765 -11.106 387 HB3 ASP 51 HB2 ASP 51 -0.799 6.817 -11.261 388 H PHE 52 H PHE 52 0.537 5.709 -8.667 389 HA PHE 52 HA PHE 52 -0.505 6.501 -6.208 390 HB2 PHE 52 HB3 PHE 52 1.905 5.906 -6.651 391 HB3 PHE 52 HB2 PHE 52 2.120 7.454 -7.462 392 HD1 PHE 52 HD1 PHE 52 1.467 5.822 -4.206 393 HD2 PHE 52 HD2 PHE 52 2.437 9.495 -6.171 394 HE1 PHE 52 HE1 PHE 52 1.995 6.845 -2.043 395 HE2 PHE 52 HE2 PHE 52 2.966 10.512 -3.997 396 HZ PHE 52 HZ PHE 52 2.744 9.187 -1.935 397 H PHE 53 H PHE 53 0.606 8.573 -8.896 398 HA PHE 53 HA PHE 53 -0.030 11.028 -7.568 399 HB2 PHE 53 HB3 PHE 53 0.757 10.500 -10.461 400 HB3 PHE 53 HB2 PHE 53 0.666 12.095 -9.718 401 HD1 PHE 53 HD1 PHE 53 2.671 9.044 -10.046 402 HD2 PHE 53 HD2 PHE 53 2.291 12.737 -7.915 403 HE1 PHE 53 HE1 PHE 53 4.973 8.808 -9.208 404 HE2 PHE 53 HE2 PHE 53 4.597 12.493 -7.091 405 HZ PHE 53 HZ PHE 53 5.937 10.525 -7.729 406 H GLN 54 H GLN 54 -1.591 9.162 -10.171 407 HA GLN 54 HA GLN 54 -3.661 11.002 -10.781 408 HB2 GLN 54 HB3 GLN 54 -3.149 9.292 -12.375 409 HB3 GLN 54 HB2 GLN 54 -3.385 8.016 -11.205 410 HG2 GLN 54 HG3 GLN 54 -5.761 9.693 -11.945 411 HG3 GLN 54 HG2 GLN 54 -5.177 8.518 -13.119 412 HE21 GLN 54 HE21 GLN 54 -7.719 8.585 -11.629 413 HE22 GLN 54 HE22 GLN 54 -7.805 7.091 -10.769 414 H GLN 55 H GLN 55 -3.375 8.536 -8.288 415 HA GLN 55 HA GLN 55 -6.096 8.500 -7.420 416 HB2 GLN 55 HB3 GLN 55 -4.427 6.689 -6.948 417 HB3 GLN 55 HB2 GLN 55 -3.569 7.778 -5.864 418 HG2 GLN 55 HG3 GLN 55 -4.928 6.249 -4.567 419 HG3 GLN 55 HG2 GLN 55 -5.579 7.879 -4.412 420 HE21 GLN 55 HE21 GLN 55 -7.659 7.221 -3.864 421 HE22 GLN 55 HE22 GLN 55 -8.720 6.427 -4.967 422 H GLY 56 H GLY 56 -3.517 10.749 -6.946 423 HA2 GLY 56 HA3 GLY 56 -4.191 12.976 -6.150 424 HA3 GLY 56 HA2 GLY 56 -5.070 12.190 -4.848 425 H GLY 57 H GLY 57 -1.972 10.869 -5.717 426 HA2 GLY 57 HA3 GLY 57 -0.786 11.747 -3.188 427 HA3 GLY 57 HA2 GLY 57 -0.135 10.562 -4.312 428 H ASP 58 H ASP 58 0.672 13.348 -3.023 429 HA ASP 58 HA ASP 58 1.660 14.727 -5.428 430 HB2 ASP 58 HB3 ASP 58 1.657 15.465 -2.467 431 HB3 ASP 58 HB2 ASP 58 2.470 16.430 -3.693 432 H SER 59 H SER 59 4.008 15.593 -5.152 433 HA SER 59 HA SER 59 5.788 13.343 -5.105 434 HB2 SER 59 HB3 SER 59 7.559 15.064 -5.577 435 HB3 SER 59 HB2 SER 59 6.179 15.175 -6.668 436 HG SER 59 HG SER 59 6.979 16.912 -4.619 437 H LEU 60 H LEU 60 4.905 15.805 -2.820 438 HA LEU 60 HA LEU 60 7.026 15.529 -0.954 439 HB2 LEU 60 HB3 LEU 60 5.377 17.439 -1.128 440 HB3 LEU 60 HB2 LEU 60 4.129 16.397 -0.477 441 HG LEU 60 HG LEU 60 5.161 18.083 1.138 442 HD11 LEU 60 HD11 LEU 60 3.871 16.175 1.988 443 HD12 LEU 60 HD12 LEU 60 5.176 16.619 3.084 444 HD13 LEU 60 HD13 LEU 60 5.339 15.196 2.050 445 HD21 LEU 60 HD21 LEU 60 7.498 17.855 0.387 446 HD22 LEU 60 HD22 LEU 60 7.562 16.226 1.066 447 HD23 LEU 60 HD23 LEU 60 7.337 17.619 2.127 448 H LEU 61 H LEU 61 3.745 14.153 -1.120 449 HA LEU 61 HA LEU 61 3.965 12.387 1.080 450 HB2 LEU 61 HB3 LEU 61 1.861 13.263 -0.237 451 HB3 LEU 61 HB2 LEU 61 2.128 11.892 -1.293 452 HG LEU 61 HG LEU 61 1.688 11.620 1.712 453 HD11 LEU 61 HD11 LEU 61 -0.641 11.003 1.242 454 HD12 LEU 61 HD12 LEU 61 -0.410 11.388 -0.466 455 HD13 LEU 61 HD13 LEU 61 -0.298 12.662 0.749 456 HD21 LEU 61 HD21 LEU 61 1.519 9.556 -0.500 457 HD22 LEU 61 HD22 LEU 61 1.096 9.283 1.193 458 HD23 LEU 61 HD23 LEU 61 2.756 9.665 0.753 459 H ALA 62 H ALA 62 4.841 12.137 -2.323 460 HA ALA 62 HA ALA 62 5.350 9.358 -2.460 461 HB1 ALA 62 HB1 ALA 62 5.066 10.785 -4.438 462 HB2 ALA 62 HB2 ALA 62 6.594 9.907 -4.504 463 HB3 ALA 62 HB3 ALA 62 6.577 11.619 -4.071 464 H THR 63 H THR 63 7.433 12.125 -1.581 465 HA THR 63 HA THR 63 9.878 10.683 -1.251 466 HB THR 63 HB THR 63 9.030 13.329 0.029 467 HG1 THR 63 HG1 THR 63 9.154 12.893 -2.463 468 HG21 THR 63 HG21 THR 63 11.082 12.431 1.084 469 HG22 THR 63 HG22 THR 63 11.466 13.834 0.086 470 HG23 THR 63 HG23 THR 63 11.818 12.209 -0.506 471 H ARG 64 H ARG 64 7.084 11.137 0.772 472 HA ARG 64 HA ARG 64 8.312 10.096 3.191 473 HB2 ARG 64 HB3 ARG 64 5.425 10.749 2.447 474 HB3 ARG 64 HB2 ARG 64 5.914 10.153 4.033 475 HG2 ARG 64 HG3 ARG 64 7.394 12.143 4.302 476 HG3 ARG 64 HG2 ARG 64 6.824 12.751 2.747 477 HD2 ARG 64 HD3 ARG 64 4.565 12.995 3.614 478 HD3 ARG 64 HD2 ARG 64 5.026 12.216 5.136 479 HE ARG 64 HE ARG 64 6.616 14.524 4.549 480 HH11 ARG 64 HH11 ARG 64 3.537 13.545 5.930 481 HH12 ARG 64 HH12 ARG 64 3.390 14.966 6.918 482 HH21 ARG 64 HH21 ARG 64 6.446 16.363 5.884 483 HH22 ARG 64 HH22 ARG 64 5.043 16.565 6.889 484 H LEU 65 H LEU 65 6.283 8.919 0.549 485 HA LEU 65 HA LEU 65 5.477 6.448 1.696 486 HB2 LEU 65 HB3 LEU 65 4.325 7.660 -0.198 487 HB3 LEU 65 HB2 LEU 65 5.642 7.217 -1.262 488 HG LEU 65 HG LEU 65 3.472 5.849 -1.450 489 HD11 LEU 65 HD11 LEU 65 5.568 5.070 -2.474 490 HD12 LEU 65 HD12 LEU 65 4.557 3.736 -1.927 491 HD13 LEU 65 HD13 LEU 65 5.977 4.208 -0.988 492 HD21 LEU 65 HD21 LEU 65 3.005 5.605 0.956 493 HD22 LEU 65 HD22 LEU 65 4.428 4.575 1.139 494 HD23 LEU 65 HD23 LEU 65 3.072 4.040 0.146 495 H THR 66 H THR 66 8.155 7.413 -0.408 496 HA THR 66 HA THR 66 9.401 4.963 -0.889 497 HB THR 66 HB THR 66 11.547 6.319 -1.031 498 HG1 THR 66 HG1 THR 66 11.188 8.654 -0.836 499 HG21 THR 66 HG21 THR 66 9.173 7.555 -2.480 500 HG22 THR 66 HG22 THR 66 10.106 6.164 -3.030 501 HG23 THR 66 HG23 THR 66 10.871 7.749 -2.930 502 H GLY 67 H GLY 67 9.676 7.200 1.826 503 HA2 GLY 67 HA3 GLY 67 11.565 5.962 3.449 504 HA3 GLY 67 HA2 GLY 67 10.260 6.986 4.025 505 H GLN 68 H GLN 68 8.047 5.386 3.319 506 HA GLN 68 HA GLN 68 7.849 3.549 5.454 507 HB2 GLN 68 HB3 GLN 68 6.140 4.183 3.068 508 HB3 GLN 68 HB2 GLN 68 5.791 2.691 3.931 509 HG2 GLN 68 HG3 GLN 68 4.354 4.499 4.686 510 HG3 GLN 68 HG2 GLN 68 5.401 3.954 5.990 511 HE21 GLN 68 HE21 GLN 68 4.744 6.539 3.750 512 HE22 GLN 68 HE22 GLN 68 5.677 7.751 4.551 513 H LEU 69 H LEU 69 8.958 3.120 2.195 514 HA LEU 69 HA LEU 69 9.040 0.211 2.345 515 HB2 LEU 69 HB3 LEU 69 10.020 2.185 0.252 516 HB3 LEU 69 HB2 LEU 69 10.069 0.436 0.064 517 HG LEU 69 HG LEU 69 7.460 1.922 0.564 518 HD11 LEU 69 HD11 LEU 69 8.424 2.840 -1.472 519 HD12 LEU 69 HD12 LEU 69 7.012 1.851 -1.835 520 HD13 LEU 69 HD13 LEU 69 8.634 1.217 -2.132 521 HD21 LEU 69 HD21 LEU 69 8.030 -0.838 -0.561 522 HD22 LEU 69 HD22 LEU 69 6.434 -0.109 -0.376 523 HD23 LEU 69 HD23 LEU 69 7.403 -0.472 1.049 524 H HIS 70 H HIS 70 11.217 2.957 2.771 525 HA HIS 70 HA HIS 70 13.715 1.657 2.545 526 HB2 HIS 70 HB3 HIS 70 12.935 4.140 4.140 527 HB3 HIS 70 HB2 HIS 70 14.600 3.610 3.909 528 HD1 HIS 70 HD1 HIS 70 13.706 6.377 2.926 529 HD2 HIS 70 HD2 HIS 70 13.687 2.977 0.539 530 HE1 HIS 70 HE1 HIS 70 13.850 7.210 0.568 531 HE2 HIS 70 HE2 HIS 70 14.072 5.140 -0.827 532 H GLN 71 H GLN 71 11.705 2.331 5.370 533 HA GLN 71 HA GLN 71 13.259 1.002 7.348 534 HB2 GLN 71 HB3 GLN 71 11.077 1.047 8.670 535 HB3 GLN 71 HB2 GLN 71 11.606 2.609 8.055 536 HG2 GLN 71 HG3 GLN 71 10.026 2.427 6.182 537 HG3 GLN 71 HG2 GLN 71 9.513 0.850 6.767 538 HE21 GLN 71 HE21 GLN 71 7.381 1.577 6.874 539 HE22 GLN 71 HE22 GLN 71 6.831 2.638 8.121 540 H ALA 72 H ALA 72 10.883 -0.154 5.020 541 HA ALA 72 HA ALA 72 10.482 -2.765 6.197 542 HB1 ALA 72 HB1 ALA 72 8.763 -1.719 4.771 543 HB2 ALA 72 HB2 ALA 72 9.266 -3.277 4.118 544 HB3 ALA 72 HB3 ALA 72 9.855 -1.780 3.386 545 H GLY 73 H GLY 73 12.988 -1.353 4.376 546 HA2 GLY 73 HA3 GLY 73 15.092 -2.332 4.010 547 HA3 GLY 73 HA2 GLY 73 14.367 -3.932 4.091 548 H TYR 74 H TYR 74 12.873 -1.484 2.149 549 HA TYR 74 HA TYR 74 14.082 -2.517 -0.361 550 HB2 TYR 74 HB3 TYR 74 11.239 -1.399 -0.030 551 HB3 TYR 74 HB2 TYR 74 11.937 -2.075 -1.502 552 HD1 TYR 74 HD1 TYR 74 10.313 -2.833 1.671 553 HD2 TYR 74 HD2 TYR 74 12.369 -4.560 -1.653 554 HE1 TYR 74 HE1 TYR 74 9.487 -5.049 2.316 555 HE2 TYR 74 HE2 TYR 74 11.531 -6.780 -1.003 556 HH TYR 74 HH TYR 74 9.051 -7.262 1.189 557 H GLU 75 H GLU 75 15.196 -0.941 -1.449 558 HA GLU 75 HA GLU 75 14.971 1.818 -0.672 559 HB2 GLU 75 HB3 GLU 75 16.582 2.300 -2.464 560 HB3 GLU 75 HB2 GLU 75 17.132 1.001 -1.426 561 HG2 GLU 75 HG3 GLU 75 17.777 0.321 -3.559 562 HG3 GLU 75 HG2 GLU 75 16.309 -0.603 -3.252 563 H ALA 76 H ALA 76 14.171 3.492 -2.000 564 HA ALA 76 HA ALA 76 12.408 2.925 -4.215 565 HB1 ALA 76 HB1 ALA 76 10.375 3.802 -3.120 566 HB2 ALA 76 HB2 ALA 76 11.246 3.901 -1.586 567 HB3 ALA 76 HB3 ALA 76 10.947 2.331 -2.334 568 H GLN 77 H GLN 77 12.538 4.581 -5.540 569 HA GLN 77 HA GLN 77 13.421 7.222 -4.506 570 HB2 GLN 77 HB3 GLN 77 13.806 6.245 -7.368 571 HB3 GLN 77 HB2 GLN 77 14.601 7.588 -6.560 572 HG2 GLN 77 HG3 GLN 77 15.066 4.642 -6.040 573 HG3 GLN 77 HG2 GLN 77 16.157 5.743 -6.873 574 HE21 GLN 77 HE21 GLN 77 16.507 4.049 -4.475 575 HE22 GLN 77 HE22 GLN 77 17.046 5.117 -3.223 576 H LEU 78 H LEU 78 12.542 9.085 -5.629 577 HA LEU 78 HA LEU 78 9.806 9.049 -6.361 578 HB2 LEU 78 HB3 LEU 78 11.964 11.096 -7.054 579 HB3 LEU 78 HB2 LEU 78 10.235 11.362 -7.229 580 HG LEU 78 HG LEU 78 11.617 10.840 -4.588 581 HD11 LEU 78 HD11 LEU 78 12.349 12.985 -5.483 582 HD12 LEU 78 HD12 LEU 78 11.294 13.224 -4.094 583 HD13 LEU 78 HD13 LEU 78 10.672 13.479 -5.729 584 HD21 LEU 78 HD21 LEU 78 9.489 11.570 -3.583 585 HD22 LEU 78 HD22 LEU 78 9.304 10.112 -4.554 586 HD23 LEU 78 HD23 LEU 78 8.775 11.672 -5.193 587 H SER 79 H SER 79 12.792 8.752 -8.121 588 HA SER 79 HA SER 79 12.031 8.865 -10.773 589 HB2 SER 79 HB3 SER 79 14.127 7.025 -9.520 590 HB3 SER 79 HB2 SER 79 14.074 7.554 -11.205 591 HG SER 79 HG SER 79 15.524 8.815 -9.965 592 H ASP 80 H ASP 80 11.815 6.121 -8.510 593 HA ASP 80 HA ASP 80 10.871 4.241 -10.503 594 HB2 ASP 80 HB3 ASP 80 11.024 4.005 -7.461 595 HB3 ASP 80 HB2 ASP 80 10.469 2.710 -8.520 596 H LEU 81 H LEU 81 9.370 6.216 -7.957 597 HA LEU 81 HA LEU 81 6.706 5.236 -8.263 598 HB2 LEU 81 HB3 LEU 81 7.918 7.724 -7.034 599 HB3 LEU 81 HB2 LEU 81 6.176 7.645 -7.229 600 HG LEU 81 HG LEU 81 7.727 5.512 -5.707 601 HD11 LEU 81 HD11 LEU 81 6.327 7.933 -4.529 602 HD12 LEU 81 HD12 LEU 81 8.074 7.689 -4.605 603 HD13 LEU 81 HD13 LEU 81 7.079 6.611 -3.631 604 HD21 LEU 81 HD21 LEU 81 4.769 6.232 -5.742 605 HD22 LEU 81 HD22 LEU 81 5.516 4.967 -4.761 606 HD23 LEU 81 HD23 LEU 81 5.507 4.824 -6.514 607 H PHE 82 H PHE 82 8.562 7.597 -10.035 608 HA PHE 82 HA PHE 82 6.265 8.871 -11.299 609 HB2 PHE 82 HB3 PHE 82 8.602 9.929 -10.579 610 HB3 PHE 82 HB2 PHE 82 9.153 9.340 -12.140 611 HD1 PHE 82 HD1 PHE 82 6.913 11.703 -10.400 612 HD2 PHE 82 HD2 PHE 82 8.367 10.422 -14.212 613 HE1 PHE 82 HE1 PHE 82 6.011 13.739 -11.425 614 HE2 PHE 82 HE2 PHE 82 7.469 12.464 -15.232 615 HZ PHE 82 HZ PHE 82 6.285 14.131 -13.852 616 H ASN 83 H ASN 83 9.019 6.810 -12.240 617 HA ASN 83 HA ASN 83 8.234 6.397 -14.964 618 HB2 ASN 83 HB3 ASN 83 10.581 6.149 -14.208 619 HB3 ASN 83 HB2 ASN 83 10.130 4.806 -13.161 620 HD21 ASN 83 HD21 ASN 83 11.650 3.460 -14.224 621 HD22 ASN 83 HD22 ASN 83 11.358 2.818 -15.800 622 H HIS 84 H HIS 84 7.496 4.768 -11.929 623 HA HIS 84 HA HIS 84 5.606 2.971 -13.355 624 HB2 HIS 84 HB3 HIS 84 6.994 2.118 -10.782 625 HB3 HIS 84 HB2 HIS 84 6.144 1.120 -11.954 626 HD1 HIS 84 HD1 HIS 84 7.460 0.742 -14.279 627 HD2 HIS 84 HD2 HIS 84 9.719 2.257 -11.142 628 HE1 HIS 84 HE1 HIS 84 9.848 0.412 -14.954 629 HE2 HIS 84 HE2 HIS 84 11.189 1.312 -13.032 630 HA PRO 85 HA PRO 85 3.314 5.529 -10.204 631 HB2 PRO 85 HB3 PRO 85 1.250 5.621 -12.371 632 HB3 PRO 85 HB2 PRO 85 1.970 6.956 -11.443 633 HG2 PRO 85 HG3 PRO 85 2.576 6.593 -14.023 634 HG3 PRO 85 HG2 PRO 85 3.814 7.140 -12.865 635 HD2 PRO 85 HD3 PRO 85 3.338 4.349 -13.937 636 HD3 PRO 85 HD2 PRO 85 4.867 5.250 -13.770 637 H ARG 86 H ARG 86 2.553 2.764 -12.241 638 HA ARG 86 HA ARG 86 0.199 1.922 -10.843 639 HB2 ARG 86 HB3 ARG 86 1.967 0.689 -12.947 640 HB3 ARG 86 HB2 ARG 86 0.911 -0.385 -12.031 641 HG2 ARG 86 HG3 ARG 86 -0.197 0.243 -14.061 642 HG3 ARG 86 HG2 ARG 86 -1.037 0.989 -12.707 643 HD2 ARG 86 HD3 ARG 86 -0.942 2.633 -14.427 644 HD3 ARG 86 HD2 ARG 86 0.263 3.120 -13.233 645 HE ARG 86 HE ARG 86 1.440 1.507 -15.242 646 HH11 ARG 86 HH11 ARG 86 0.230 4.780 -14.778 647 HH12 ARG 86 HH12 ARG 86 1.247 5.453 -16.013 648 HH21 ARG 86 HH21 ARG 86 2.724 2.412 -16.915 649 HH22 ARG 86 HH22 ARG 86 2.644 4.121 -17.213 650 H LEU 87 H LEU 87 -0.064 0.427 -9.294 651 HA LEU 87 HA LEU 87 1.744 0.480 -7.185 652 HB2 LEU 87 HB3 LEU 87 -0.755 0.285 -7.156 653 HB3 LEU 87 HB2 LEU 87 -0.602 -1.403 -7.596 654 HG LEU 87 HG LEU 87 0.594 -0.308 -5.017 655 HD11 LEU 87 HD11 LEU 87 -2.196 -1.436 -5.429 656 HD12 LEU 87 HD12 LEU 87 -1.785 0.237 -5.033 657 HD13 LEU 87 HD13 LEU 87 -1.449 -1.042 -3.882 658 HD21 LEU 87 HD21 LEU 87 0.380 -2.646 -4.231 659 HD22 LEU 87 HD22 LEU 87 1.423 -2.523 -5.644 660 HD23 LEU 87 HD23 LEU 87 -0.227 -3.123 -5.825 661 H ALA 88 H ALA 88 0.839 -2.326 -9.229 662 HA ALA 88 HA ALA 88 2.547 -4.136 -7.768 663 HB1 ALA 88 HB1 ALA 88 1.809 -5.819 -9.394 664 HB2 ALA 88 HB2 ALA 88 1.071 -4.557 -10.389 665 HB3 ALA 88 HB3 ALA 88 0.439 -4.897 -8.776 666 H ASP 89 H ASP 89 2.810 -2.254 -10.707 667 HA ASP 89 HA ASP 89 5.126 -3.608 -11.764 668 HB2 ASP 89 HB3 ASP 89 3.453 -2.363 -13.168 669 HB3 ASP 89 HB2 ASP 89 4.016 -0.854 -12.468 670 H PHE 90 H PHE 90 4.520 -0.819 -9.711 671 HA PHE 90 HA PHE 90 7.231 0.052 -9.399 672 HB2 PHE 90 HB3 PHE 90 5.439 1.617 -8.920 673 HB3 PHE 90 HB2 PHE 90 4.693 0.515 -7.767 674 HD1 PHE 90 HD1 PHE 90 5.031 0.986 -5.497 675 HD2 PHE 90 HD2 PHE 90 7.988 2.273 -8.308 676 HE1 PHE 90 HE1 PHE 90 6.310 2.024 -3.679 677 HE2 PHE 90 HE2 PHE 90 9.259 3.315 -6.478 678 HZ PHE 90 HZ PHE 90 8.429 3.189 -4.165 679 H ALA 91 H ALA 91 5.089 -2.123 -7.606 680 HA ALA 91 HA ALA 91 6.738 -2.729 -5.407 681 HB1 ALA 91 HB1 ALA 91 4.607 -4.456 -6.716 682 HB2 ALA 91 HB2 ALA 91 4.318 -3.216 -5.493 683 HB3 ALA 91 HB3 ALA 91 5.251 -4.654 -5.082 684 H ALA 92 H ALA 92 6.536 -4.049 -8.651 685 HA ALA 92 HA ALA 92 8.257 -6.287 -8.358 686 HB1 ALA 92 HB1 ALA 92 8.307 -6.271 -10.818 687 HB2 ALA 92 HB2 ALA 92 7.576 -4.661 -10.826 688 HB3 ALA 92 HB3 ALA 92 6.669 -6.041 -10.206 689 H THR 93 H THR 93 8.844 -2.861 -9.047 690 HA THR 93 HA THR 93 11.654 -3.291 -9.730 691 HB THR 93 HB THR 93 11.661 -0.747 -10.037 692 HG1 THR 93 HG1 THR 93 9.664 -0.513 -8.692 693 HG21 THR 93 HG21 THR 93 11.378 -2.300 -11.952 694 HG22 THR 93 HG22 THR 93 10.457 -0.814 -12.170 695 HG23 THR 93 HG23 THR 93 9.632 -2.292 -11.682 696 H LEU 94 H LEU 94 10.128 -3.199 -6.818 697 HA LEU 94 HA LEU 94 11.914 -1.462 -5.371 698 HB2 LEU 94 HB3 LEU 94 10.013 -3.629 -4.440 699 HB3 LEU 94 HB2 LEU 94 11.013 -2.708 -3.326 700 HG LEU 94 HG LEU 94 8.840 -1.574 -5.130 701 HD11 LEU 94 HD11 LEU 94 8.957 -1.902 -2.120 702 HD12 LEU 94 HD12 LEU 94 7.930 -2.797 -3.244 703 HD13 LEU 94 HD13 LEU 94 7.685 -1.070 -3.020 704 HD21 LEU 94 HD21 LEU 94 10.669 -0.130 -3.178 705 HD22 LEU 94 HD22 LEU 94 9.262 0.577 -3.978 706 HD23 LEU 94 HD23 LEU 94 10.642 0.053 -4.935 707 H ARG 95 H ARG 95 13.942 -1.861 -4.896 708 HA ARG 95 HA ARG 95 15.068 -4.589 -5.113 709 HB2 ARG 95 HB3 ARG 95 16.520 -1.906 -5.007 710 HB3 ARG 95 HB2 ARG 95 17.198 -3.459 -5.491 711 HG2 ARG 95 HG3 ARG 95 16.056 -3.453 -7.566 712 HG3 ARG 95 HG2 ARG 95 14.904 -2.228 -7.036 713 HD2 ARG 95 HD3 ARG 95 16.877 -0.597 -6.958 714 HD3 ARG 95 HD2 ARG 95 17.816 -1.837 -7.792 715 HE ARG 95 HE ARG 95 16.701 -1.359 -9.738 716 HH11 ARG 95 HH11 ARG 95 14.871 0.151 -7.118 717 HH12 ARG 95 HH12 ARG 95 13.831 1.020 -8.205 718 HH21 ARG 95 HH21 ARG 95 15.309 -0.185 -11.114 719 HH22 ARG 95 HH22 ARG 95 14.078 0.831 -10.431 720 H LYS 96 H LYS 96 15.720 -5.601 -3.236 721 HA LYS 96 HA LYS 96 15.134 -4.463 -0.703 722 HB2 LYS 96 HB3 LYS 96 16.685 -6.985 -1.416 723 HB3 LYS 96 HB2 LYS 96 16.256 -6.533 0.233 724 HG2 LYS 96 HG3 LYS 96 13.839 -6.597 -0.419 725 HG3 LYS 96 HG2 LYS 96 14.321 -7.176 -2.018 726 HD2 LYS 96 HD3 LYS 96 15.324 -9.192 -1.008 727 HD3 LYS 96 HD2 LYS 96 14.921 -8.601 0.608 728 HE2 LYS 96 HE3 LYS 96 12.515 -8.718 0.044 729 HE3 LYS 96 HE2 LYS 96 12.925 -9.324 -1.564 730 HZ1 LYS 96 HZ1 LYS 96 13.561 -10.682 1.006 731 HZ2 LYS 96 HZ2 LYS 96 13.931 -11.271 -0.536 732 HZ3 LYS 96 HZ3 LYS 96 12.316 -11.112 -0.055 733 H THR 97 H THR 97 16.256 -3.033 0.344 734 HA THR 97 HA THR 97 18.838 -2.067 -0.186 735 HB THR 97 HB THR 97 17.303 -1.874 2.456 736 HG1 THR 97 HG1 THR 97 16.793 -0.819 -0.049 737 HG21 THR 97 HG21 THR 97 18.381 0.336 2.683 738 HG22 THR 97 HG22 THR 97 19.253 0.091 1.169 739 HG23 THR 97 HG23 THR 97 19.604 -0.931 2.566 740 H ASP 98 H ASP 98 20.813 -2.310 1.052 741 HA ASP 98 HA ASP 98 21.590 -4.771 2.118 742 HB2 ASP 98 HB3 ASP 98 22.639 -1.984 2.790 743 HB3 ASP 98 HB2 ASP 98 23.447 -3.476 3.268 744 H VAL 99 H VAL 99 21.606 -5.633 4.200 745 HA VAL 99 HA VAL 99 19.438 -4.983 5.863 746 HB VAL 99 HB VAL 99 20.451 -6.636 7.513 747 HG11 VAL 99 HG11 VAL 99 20.081 -8.614 6.064 748 HG12 VAL 99 HG12 VAL 99 20.156 -7.586 4.632 749 HG13 VAL 99 HG13 VAL 99 18.852 -7.375 5.802 750 HG21 VAL 99 HG21 VAL 99 22.620 -6.931 5.389 751 HG22 VAL 99 HG22 VAL 99 22.403 -7.981 6.792 752 HG23 VAL 99 HG23 VAL 99 22.842 -6.288 7.017 753 HA PRO 100 HA PRO 100 21.241 -1.332 7.812 754 HB2 PRO 100 HB3 PRO 100 19.282 -1.011 9.784 755 HB3 PRO 100 HB2 PRO 100 19.117 -0.470 8.103 756 HG2 PRO 100 HG3 PRO 100 18.099 -2.995 9.366 757 HG3 PRO 100 HG2 PRO 100 17.280 -1.888 8.239 758 HD2 PRO 100 HD3 PRO 100 18.329 -4.179 7.356 759 HD3 PRO 100 HD2 PRO 100 18.445 -2.700 6.377 760 H VAL 101 H VAL 101 20.705 -4.343 9.424 761 HA VAL 101 HA VAL 101 22.091 -3.790 11.863 762 HB VAL 101 HB VAL 101 21.745 -6.481 10.449 763 HG11 VAL 101 HG11 VAL 101 23.427 -6.541 12.248 764 HG12 VAL 101 HG12 VAL 101 22.000 -7.478 12.686 765 HG13 VAL 101 HG13 VAL 101 22.252 -5.878 13.388 766 HG21 VAL 101 HG21 VAL 101 19.720 -6.802 11.804 767 HG22 VAL 101 HG22 VAL 101 19.561 -5.406 10.740 768 HG23 VAL 101 HG23 VAL 101 19.884 -5.168 12.459 769 H GLU 102 H GLU 102 23.035 -5.578 8.898 770 HA GLU 102 HA GLU 102 25.907 -5.329 9.615 771 HB2 GLU 102 HB3 GLU 102 24.463 -7.500 8.024 772 HB3 GLU 102 HB2 GLU 102 26.201 -7.451 8.318 773 HG2 GLU 102 HG3 GLU 102 25.930 -7.815 10.657 774 HG3 GLU 102 HG2 GLU 102 24.198 -7.505 10.587 775 H GLN 103 H GLN 103 25.043 -3.180 8.501 776 HA GLN 103 HA GLN 103 25.225 -2.954 5.676 777 HB2 GLN 103 HB3 GLN 103 25.790 -0.924 7.875 778 HB3 GLN 103 HB2 GLN 103 25.744 -0.525 6.163 779 HG2 GLN 103 HG3 GLN 103 23.376 -1.201 6.067 780 HG3 GLN 103 HG2 GLN 103 23.426 -1.598 7.784 781 HE21 GLN 103 HE21 GLN 103 25.084 0.720 8.500 782 HE22 GLN 103 HE22 GLN 103 24.059 2.099 8.373 783 HA PRO 104 HA PRO 104 30.108 -2.290 6.488 784 HB2 PRO 104 HB3 PRO 104 30.995 -3.907 8.608 785 HB3 PRO 104 HB2 PRO 104 30.774 -2.152 8.714 786 HG2 PRO 104 HG3 PRO 104 28.889 -4.335 9.556 787 HG3 PRO 104 HG2 PRO 104 29.339 -2.840 10.416 788 HD2 PRO 104 HD3 PRO 104 27.024 -2.972 9.111 789 HD3 PRO 104 HD2 PRO 104 28.002 -1.488 9.024 790 H PHE 105 H PHE 105 31.626 -3.873 5.730 791 HA PHE 105 HA PHE 105 30.357 -6.264 4.617 792 HB2 PHE 105 HB3 PHE 105 33.092 -5.036 4.017 793 HB3 PHE 105 HB2 PHE 105 32.318 -6.339 3.117 794 HD1 PHE 105 HD1 PHE 105 32.431 -2.709 3.649 795 HD2 PHE 105 HD2 PHE 105 30.283 -5.867 1.717 796 HE1 PHE 105 HE1 PHE 105 31.289 -1.062 2.219 797 HE2 PHE 105 HE2 PHE 105 29.155 -4.214 0.286 798 HZ PHE 105 HZ PHE 105 29.653 -1.813 0.537 799 H VAL 106 H VAL 106 32.439 -8.003 4.283 800 HA VAL 106 HA VAL 106 33.318 -9.841 5.225 801 HB VAL 106 HB VAL 106 33.970 -8.120 7.672 802 HG11 VAL 106 HG11 VAL 106 35.723 -9.796 8.174 803 HG12 VAL 106 HG12 VAL 106 35.173 -10.785 6.820 804 HG13 VAL 106 HG13 VAL 106 34.112 -10.516 8.203 805 HG21 VAL 106 HG21 VAL 106 35.715 -8.726 5.249 806 HG22 VAL 106 HG22 VAL 106 36.225 -7.841 6.691 807 HG23 VAL 106 HG23 VAL 106 34.979 -7.171 5.637 808 H HIS 107 H HIS 107 30.882 -10.144 5.097 809 HA HIS 107 HA HIS 107 30.060 -11.573 7.527 810 HB2 HIS 107 HB3 HIS 107 28.222 -9.607 6.046 811 HB3 HIS 107 HB2 HIS 107 27.666 -10.771 7.248 812 HD1 HIS 107 HD1 HIS 107 28.859 -7.361 6.909 813 HD2 HIS 107 HD2 HIS 107 28.824 -10.219 9.924 814 HE1 HIS 107 HE1 HIS 107 29.305 -6.106 9.036 815 HE2 HIS 107 HE2 HIS 107 29.045 -7.821 10.853 816 H SER 108 H SER 108 31.249 -12.760 5.472 817 HA SER 108 HA SER 108 29.589 -13.709 3.392 818 HB2 SER 108 HB3 SER 108 31.322 -15.593 3.231 819 HB3 SER 108 HB2 SER 108 31.959 -13.954 3.109 820 HG SER 108 HG SER 108 31.907 -15.435 5.534 821 HA PRO 109 HA PRO 109 26.671 -16.152 5.849 822 HB2 PRO 109 HB3 PRO 109 26.389 -17.560 3.181 823 HB3 PRO 109 HB2 PRO 109 25.120 -16.960 4.275 824 HG2 PRO 109 HG3 PRO 109 25.685 -15.581 2.109 825 HG3 PRO 109 HG2 PRO 109 25.458 -14.714 3.649 826 HD2 PRO 109 HD3 PRO 109 28.034 -15.405 2.237 827 HD3 PRO 109 HD2 PRO 109 27.577 -13.908 3.085 828 H GLU 110 H GLU 110 27.695 -17.430 7.249 829 HA GLU 110 HA GLU 110 29.717 -19.322 6.691 830 HB2 GLU 110 HB3 GLU 110 29.458 -18.134 8.861 831 HB3 GLU 110 HB2 GLU 110 27.975 -19.029 9.174 832 HG2 GLU 110 HG3 GLU 110 29.267 -21.142 9.242 833 HG3 GLU 110 HG2 GLU 110 30.745 -20.249 8.905 834 H ASP 111 H ASP 111 26.233 -19.572 6.785 835 HA ASP 111 HA ASP 111 25.957 -22.391 6.976 836 HB2 ASP 111 HB3 ASP 111 24.115 -20.328 5.682 837 HB3 ASP 111 HB2 ASP 111 23.677 -22.009 5.964 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -2.977 -23.566 -9.291 2 H2 GLY 1 H2 GLY 1 -1.985 -24.211 -8.084 3 H3 GLY 1 H3 GLY 1 -2.379 -25.141 -9.440 4 HA2 GLY 1 HA2 GLY 1 -0.133 -24.330 -9.630 5 HA3 GLY 1 HA3 GLY 1 -1.167 -23.640 -10.878 6 H THR 2 H THR 2 1.111 -22.915 -8.530 7 HA THR 2 HA THR 2 0.155 -20.166 -8.033 8 HB THR 2 HB THR 2 2.550 -21.533 -6.709 9 HG1 THR 2 HG1 THR 2 0.498 -22.681 -6.389 10 HG21 THR 2 HG21 THR 2 0.780 -19.225 -5.784 11 HG22 THR 2 HG22 THR 2 2.412 -19.061 -6.434 12 HG23 THR 2 HG23 THR 2 2.159 -19.899 -4.907 13 H ILE 3 H ILE 3 0.706 -20.043 -10.505 14 HA ILE 3 HA ILE 3 3.418 -19.743 -11.330 15 HB ILE 3 HB ILE 3 0.902 -18.448 -12.518 16 HG12 ILE 3 HG13 ILE 3 1.305 -20.175 -14.404 17 HG13 ILE 3 HG12 ILE 3 2.415 -20.987 -13.314 18 HG21 ILE 3 HG21 ILE 3 2.278 -17.989 -14.542 19 HG22 ILE 3 HG22 ILE 3 3.714 -18.570 -13.696 20 HG23 ILE 3 HG23 ILE 3 2.875 -17.127 -13.125 21 HD11 ILE 3 HD11 ILE 3 0.558 -21.435 -11.776 22 HD12 ILE 3 HD12 ILE 3 0.248 -22.074 -13.388 23 HD13 ILE 3 HD13 ILE 3 -0.549 -20.592 -12.864 24 H ASP 4 H ASP 4 4.785 -18.223 -10.541 25 HA ASP 4 HA ASP 4 3.841 -16.266 -8.688 26 HB2 ASP 4 HB3 ASP 4 5.972 -17.485 -8.383 27 HB3 ASP 4 HB2 ASP 4 6.657 -16.657 -9.784 28 H TYR 5 H TYR 5 2.591 -14.786 -9.731 29 HA TYR 5 HA TYR 5 3.646 -13.101 -11.867 30 HB2 TYR 5 HB3 TYR 5 1.056 -12.809 -10.293 31 HB3 TYR 5 HB2 TYR 5 1.480 -11.947 -11.762 32 HD1 TYR 5 HD1 TYR 5 1.880 -13.426 -13.911 33 HD2 TYR 5 HD2 TYR 5 -0.206 -14.808 -10.441 34 HE1 TYR 5 HE1 TYR 5 0.800 -15.191 -15.245 35 HE2 TYR 5 HE2 TYR 5 -1.275 -16.560 -11.784 36 HH TYR 5 HH TYR 5 -0.251 -17.343 -14.948 37 H GLN 6 H GLN 6 4.045 -13.218 -8.516 38 HA GLN 6 HA GLN 6 3.956 -10.547 -7.655 39 HB2 GLN 6 HB3 GLN 6 4.308 -12.583 -6.192 40 HB3 GLN 6 HB2 GLN 6 5.957 -12.687 -6.771 41 HG2 GLN 6 HG3 GLN 6 4.873 -10.300 -5.243 42 HG3 GLN 6 HG2 GLN 6 5.634 -11.679 -4.465 43 HE21 GLN 6 HE21 GLN 6 6.183 -8.791 -6.337 44 HE22 GLN 6 HE22 GLN 6 7.904 -8.789 -6.179 45 H ALA 7 H ALA 7 6.726 -12.400 -8.917 46 HA ALA 7 HA ALA 7 8.442 -10.069 -9.083 47 HB1 ALA 7 HB1 ALA 7 10.167 -11.656 -9.840 48 HB2 ALA 7 HB2 ALA 7 8.956 -12.935 -9.950 49 HB3 ALA 7 HB3 ALA 7 9.364 -12.245 -8.381 50 H LEU 8 H LEU 8 6.124 -11.491 -11.166 51 HA LEU 8 HA LEU 8 7.031 -9.880 -13.418 52 HB2 LEU 8 HB3 LEU 8 7.983 -12.402 -13.444 53 HB3 LEU 8 HB2 LEU 8 6.410 -12.751 -14.124 54 HG LEU 8 HG LEU 8 8.133 -12.487 -15.879 55 HD11 LEU 8 HD11 LEU 8 6.130 -10.208 -16.019 56 HD12 LEU 8 HD12 LEU 8 5.837 -11.879 -16.501 57 HD13 LEU 8 HD13 LEU 8 7.014 -10.907 -17.380 58 HD21 LEU 8 HD21 LEU 8 9.644 -10.936 -14.701 59 HD22 LEU 8 HD22 LEU 8 8.476 -9.627 -14.895 60 HD23 LEU 8 HD23 LEU 8 9.252 -10.338 -16.312 61 H LYS 9 H LYS 9 5.050 -8.831 -12.513 62 HA LYS 9 HA LYS 9 3.045 -9.381 -14.542 63 HB2 LYS 9 HB3 LYS 9 2.322 -10.359 -12.159 64 HB3 LYS 9 HB2 LYS 9 1.905 -8.692 -11.815 65 HG2 LYS 9 HG3 LYS 9 0.820 -10.278 -14.166 66 HG3 LYS 9 HG2 LYS 9 -0.001 -10.139 -12.611 67 HD2 LYS 9 HD3 LYS 9 -0.366 -7.782 -12.913 68 HD3 LYS 9 HD2 LYS 9 0.737 -7.718 -14.289 69 HE2 LYS 9 HE3 LYS 9 -1.930 -9.171 -14.237 70 HE3 LYS 9 HE2 LYS 9 -1.607 -7.618 -15.016 71 HZ1 LYS 9 HZ1 LYS 9 -0.324 -10.201 -15.714 72 HZ2 LYS 9 HZ2 LYS 9 -0.001 -8.713 -16.446 73 HZ3 LYS 9 HZ3 LYS 9 -1.528 -9.416 -16.603 74 H ARG 10 H ARG 10 4.295 -7.714 -15.401 75 HA ARG 10 HA ARG 10 3.346 -5.081 -14.995 76 HB2 ARG 10 HB3 ARG 10 5.642 -4.070 -14.391 77 HB3 ARG 10 HB2 ARG 10 4.754 -4.860 -13.101 78 HG2 ARG 10 HG3 ARG 10 7.053 -5.445 -12.831 79 HG3 ARG 10 HG2 ARG 10 6.232 -6.892 -13.405 80 HD2 ARG 10 HD3 ARG 10 8.452 -6.552 -14.466 81 HD3 ARG 10 HD2 ARG 10 7.140 -6.554 -15.651 82 HE ARG 10 HE ARG 10 8.173 -4.003 -14.595 83 HH11 ARG 10 HH11 ARG 10 7.807 -6.139 -17.362 84 HH12 ARG 10 HH12 ARG 10 8.248 -4.915 -18.504 85 HH21 ARG 10 HH21 ARG 10 8.616 -2.386 -16.121 86 HH22 ARG 10 HH22 ARG 10 8.707 -2.790 -17.806 87 H ARG 11 H ARG 11 4.196 -3.595 -16.542 88 HA ARG 11 HA ARG 11 6.045 -4.376 -18.631 89 HB2 ARG 11 HB3 ARG 11 3.055 -4.122 -19.184 90 HB3 ARG 11 HB2 ARG 11 4.235 -3.789 -20.443 91 HG2 ARG 11 HG3 ARG 11 5.049 -6.104 -20.323 92 HG3 ARG 11 HG2 ARG 11 3.908 -6.448 -19.020 93 HD2 ARG 11 HD3 ARG 11 2.020 -6.013 -20.531 94 HD3 ARG 11 HD2 ARG 11 3.141 -5.602 -21.836 95 HE ARG 11 HE ARG 11 3.750 -8.183 -20.917 96 HH11 ARG 11 HH11 ARG 11 1.129 -6.564 -22.631 97 HH12 ARG 11 HH12 ARG 11 0.662 -7.995 -23.496 98 HH21 ARG 11 HH21 ARG 11 3.150 -10.030 -22.082 99 HH22 ARG 11 HH22 ARG 11 1.812 -9.964 -23.184 100 H HIS 12 H HIS 12 5.755 -2.419 -20.435 101 HA HIS 12 HA HIS 12 5.654 0.170 -19.179 102 HB2 HIS 12 HB3 HIS 12 6.928 -0.160 -21.282 103 HB3 HIS 12 HB2 HIS 12 5.463 -0.641 -22.129 104 HD1 HIS 12 HD1 HIS 12 4.637 1.193 -23.592 105 HD2 HIS 12 HD2 HIS 12 6.472 2.698 -20.175 106 HE1 HIS 12 HE1 HIS 12 4.518 3.691 -23.802 107 HE2 HIS 12 HE2 HIS 12 5.695 4.581 -21.769 108 H THR 13 H THR 13 3.711 0.113 -18.016 109 HA THR 13 HA THR 13 1.161 -0.408 -19.412 110 HB THR 13 HB THR 13 1.696 -0.161 -16.413 111 HG1 THR 13 HG1 THR 13 2.796 -1.935 -16.838 112 HG21 THR 13 HG21 THR 13 -0.407 -1.425 -16.165 113 HG22 THR 13 HG22 THR 13 -0.620 -1.439 -17.917 114 HG23 THR 13 HG23 THR 13 -0.679 0.086 -17.031 115 HA PRO 14 HA PRO 14 0.951 4.193 -18.989 116 HB2 PRO 14 HB3 PRO 14 -0.492 4.720 -21.233 117 HB3 PRO 14 HB2 PRO 14 1.239 4.345 -21.314 118 HG2 PRO 14 HG3 PRO 14 -1.101 2.597 -21.924 119 HG3 PRO 14 HG2 PRO 14 0.470 2.711 -22.746 120 HD2 PRO 14 HD3 PRO 14 -0.202 0.747 -20.889 121 HD3 PRO 14 HD2 PRO 14 1.456 1.203 -21.326 122 H GLU 15 H GLU 15 -0.607 5.353 -17.943 123 HA GLU 15 HA GLU 15 -2.524 6.129 -17.072 124 HB2 GLU 15 HB3 GLU 15 -3.371 5.013 -19.628 125 HB3 GLU 15 HB2 GLU 15 -4.648 4.768 -18.455 126 HG2 GLU 15 HG3 GLU 15 -3.388 7.436 -19.169 127 HG3 GLU 15 HG2 GLU 15 -4.955 6.848 -19.718 128 H ALA 16 H ALA 16 -4.683 5.416 -15.994 129 HA ALA 16 HA ALA 16 -4.130 3.122 -14.284 130 HB1 ALA 16 HB1 ALA 16 -4.988 5.183 -13.251 131 HB2 ALA 16 HB2 ALA 16 -6.121 3.851 -13.017 132 HB3 ALA 16 HB3 ALA 16 -6.454 5.087 -14.233 133 H GLU 17 H GLU 17 -7.362 3.984 -15.531 134 HA GLU 17 HA GLU 17 -9.044 2.814 -16.514 135 HB2 GLU 17 HB3 GLU 17 -6.725 1.751 -18.189 136 HB3 GLU 17 HB2 GLU 17 -8.420 1.710 -18.664 137 HG2 GLU 17 HG3 GLU 17 -8.463 4.187 -18.663 138 HG3 GLU 17 HG2 GLU 17 -6.758 4.203 -18.214 139 H ASN 18 H ASN 18 -8.427 -0.039 -17.786 140 HA ASN 18 HA ASN 18 -7.807 -2.177 -17.311 141 HB2 ASN 18 HB3 ASN 18 -5.853 -1.240 -16.167 142 HB3 ASN 18 HB2 ASN 18 -6.802 -0.931 -14.726 143 HD21 ASN 18 HD21 ASN 18 -6.898 -2.443 -13.195 144 HD22 ASN 18 HD22 ASN 18 -6.194 -4.009 -13.319 145 HA PRO 19 HA PRO 19 -11.456 -4.142 -15.411 146 HB2 PRO 19 HB3 PRO 19 -9.373 -6.083 -14.340 147 HB3 PRO 19 HB2 PRO 19 -10.964 -6.423 -15.064 148 HG2 PRO 19 HG3 PRO 19 -8.770 -6.709 -16.518 149 HG3 PRO 19 HG2 PRO 19 -10.239 -5.998 -17.230 150 HD2 PRO 19 HD3 PRO 19 -7.691 -4.649 -16.430 151 HD3 PRO 19 HD2 PRO 19 -8.841 -4.215 -17.711 152 H ALA 20 H ALA 20 -8.515 -4.058 -13.360 153 HA ALA 20 HA ALA 20 -8.003 -2.963 -11.448 154 HB1 ALA 20 HB1 ALA 20 -9.423 -1.098 -12.225 155 HB2 ALA 20 HB2 ALA 20 -9.455 -1.256 -10.467 156 HB3 ALA 20 HB3 ALA 20 -10.816 -1.835 -11.432 157 H GLU 21 H GLU 21 -11.341 -3.911 -11.036 158 HA GLU 21 HA GLU 21 -11.162 -4.875 -8.366 159 HB2 GLU 21 HB3 GLU 21 -13.256 -5.481 -10.502 160 HB3 GLU 21 HB2 GLU 21 -13.459 -5.717 -8.768 161 HG2 GLU 21 HG3 GLU 21 -13.345 -3.318 -8.370 162 HG3 GLU 21 HG2 GLU 21 -12.966 -3.022 -10.066 163 H ALA 22 H ALA 22 -10.199 -6.326 -11.324 164 HA ALA 22 HA ALA 22 -10.094 -9.045 -10.149 165 HB1 ALA 22 HB1 ALA 22 -11.157 -8.873 -12.360 166 HB2 ALA 22 HB2 ALA 22 -9.662 -9.803 -12.464 167 HB3 ALA 22 HB3 ALA 22 -9.701 -8.130 -13.023 168 H ASP 23 H ASP 23 -8.224 -6.405 -10.054 169 HA ASP 23 HA ASP 23 -5.636 -7.721 -10.599 170 HB2 ASP 23 HB3 ASP 23 -6.498 -4.909 -11.387 171 HB3 ASP 23 HB2 ASP 23 -4.827 -5.469 -11.445 172 H LEU 24 H LEU 24 -7.050 -7.372 -8.069 173 HA LEU 24 HA LEU 24 -5.872 -5.447 -6.404 174 HB2 LEU 24 HB3 LEU 24 -7.014 -8.204 -5.872 175 HB3 LEU 24 HB2 LEU 24 -6.248 -7.306 -4.574 176 HG LEU 24 HG LEU 24 -7.893 -5.443 -4.941 177 HD11 LEU 24 HD11 LEU 24 -8.506 -5.875 -7.258 178 HD12 LEU 24 HD12 LEU 24 -9.927 -5.815 -6.222 179 HD13 LEU 24 HD13 LEU 24 -9.316 -7.372 -6.787 180 HD21 LEU 24 HD21 LEU 24 -9.121 -8.124 -4.226 181 HD22 LEU 24 HD22 LEU 24 -9.764 -6.537 -3.796 182 HD23 LEU 24 HD23 LEU 24 -8.219 -7.065 -3.139 183 HA PRO 25 HA PRO 25 -1.543 -6.499 -5.837 184 HB2 PRO 25 HB3 PRO 25 -1.340 -6.409 -3.029 185 HB3 PRO 25 HB2 PRO 25 -1.266 -4.999 -4.099 186 HG2 PRO 25 HG3 PRO 25 -3.605 -6.073 -2.561 187 HG3 PRO 25 HG2 PRO 25 -3.075 -4.388 -2.785 188 HD2 PRO 25 HD3 PRO 25 -5.119 -5.338 -4.200 189 HD3 PRO 25 HD2 PRO 25 -3.921 -4.278 -4.974 190 H GLN 26 H GLN 26 -0.597 -8.510 -6.009 191 HA GLN 26 HA GLN 26 -1.903 -10.824 -4.680 192 HB2 GLN 26 HB3 GLN 26 -1.768 -11.940 -7.009 193 HB3 GLN 26 HB2 GLN 26 -2.992 -10.703 -6.787 194 HG2 GLN 26 HG3 GLN 26 -2.141 -10.211 -8.902 195 HG3 GLN 26 HG2 GLN 26 -1.279 -9.073 -7.869 196 HE21 GLN 26 HE21 GLN 26 0.542 -8.840 -9.200 197 HE22 GLN 26 HE22 GLN 26 1.635 -10.129 -9.547 198 H GLY 27 H GLY 27 0.368 -9.865 -3.688 199 HA2 GLY 27 HA3 GLY 27 2.188 -12.002 -3.718 200 HA3 GLY 27 HA2 GLY 27 2.809 -10.736 -4.783 201 H ASP 28 H ASP 28 4.219 -11.459 -2.615 202 HA ASP 28 HA ASP 28 3.745 -10.478 -0.081 203 HB2 ASP 28 HB3 ASP 28 6.444 -10.666 -1.484 204 HB3 ASP 28 HB2 ASP 28 6.199 -10.602 0.257 205 H ILE 29 H ILE 29 5.292 -8.827 -2.792 206 HA ILE 29 HA ILE 29 6.076 -6.528 -1.224 207 HB ILE 29 HB ILE 29 6.108 -6.783 -4.269 208 HG12 ILE 29 HG13 ILE 29 7.420 -8.641 -3.349 209 HG13 ILE 29 HG12 ILE 29 8.507 -7.449 -4.045 210 HG21 ILE 29 HG21 ILE 29 7.631 -4.948 -2.382 211 HG22 ILE 29 HG22 ILE 29 6.332 -4.480 -3.481 212 HG23 ILE 29 HG23 ILE 29 7.872 -5.040 -4.128 213 HD11 ILE 29 HD11 ILE 29 9.406 -8.343 -1.989 214 HD12 ILE 29 HD12 ILE 29 7.963 -7.864 -1.099 215 HD13 ILE 29 HD13 ILE 29 9.032 -6.633 -1.777 216 H GLU 30 H GLU 30 3.736 -7.180 -3.852 217 HA GLU 30 HA GLU 30 2.833 -4.568 -4.226 218 HB2 GLU 30 HB3 GLU 30 1.192 -7.090 -4.722 219 HB3 GLU 30 HB2 GLU 30 0.863 -5.497 -5.382 220 HG2 GLU 30 HG3 GLU 30 1.825 -6.547 -7.191 221 HG3 GLU 30 HG2 GLU 30 3.232 -5.748 -6.495 222 H LYS 31 H LYS 31 1.666 -7.054 -1.994 223 HA LYS 31 HA LYS 31 -0.741 -5.701 -1.218 224 HB2 LYS 31 HB3 LYS 31 -0.933 -7.433 0.522 225 HB3 LYS 31 HB2 LYS 31 -0.509 -8.149 -1.026 226 HG2 LYS 31 HG3 LYS 31 1.833 -8.355 -0.310 227 HG3 LYS 31 HG2 LYS 31 1.443 -7.616 1.236 228 HD2 LYS 31 HD3 LYS 31 0.207 -10.226 0.270 229 HD3 LYS 31 HD2 LYS 31 1.675 -10.145 1.242 230 HE2 LYS 31 HE3 LYS 31 -0.154 -10.613 2.723 231 HE3 LYS 31 HE2 LYS 31 0.351 -8.953 3.024 232 HZ1 LYS 31 HZ1 LYS 31 -2.079 -9.276 2.949 233 HZ2 LYS 31 HZ2 LYS 31 -1.965 -9.710 1.317 234 HZ3 LYS 31 HZ3 LYS 31 -1.532 -8.153 1.821 235 H GLN 32 H GLN 32 2.550 -5.730 -0.004 236 HA GLN 32 HA GLN 32 2.013 -4.361 2.472 237 HB2 GLN 32 HB3 GLN 32 3.924 -5.902 2.219 238 HB3 GLN 32 HB2 GLN 32 4.630 -4.859 0.992 239 HG2 GLN 32 HG3 GLN 32 5.038 -3.112 2.634 240 HG3 GLN 32 HG2 GLN 32 4.166 -4.020 3.869 241 HE21 GLN 32 HE21 GLN 32 6.423 -5.524 1.599 242 HE22 GLN 32 HE22 GLN 32 7.620 -5.902 2.779 243 H VAL 33 H VAL 33 3.361 -3.456 -0.682 244 HA VAL 33 HA VAL 33 3.721 -0.695 -0.294 245 HB VAL 33 HB VAL 33 2.996 -2.187 -2.871 246 HG11 VAL 33 HG11 VAL 33 4.178 0.608 -2.596 247 HG12 VAL 33 HG12 VAL 33 2.556 0.213 -3.168 248 HG13 VAL 33 HG13 VAL 33 3.962 -0.273 -4.111 249 HG21 VAL 33 HG21 VAL 33 5.743 -1.377 -1.841 250 HG22 VAL 33 HG22 VAL 33 5.405 -2.203 -3.361 251 HG23 VAL 33 HG23 VAL 33 5.083 -3.014 -1.832 252 H ALA 34 H ALA 34 0.901 -2.577 -1.366 253 HA ALA 34 HA ALA 34 -0.889 -0.462 -1.927 254 HB1 ALA 34 HB1 ALA 34 -1.525 -3.297 -1.047 255 HB2 ALA 34 HB2 ALA 34 -1.239 -2.769 -2.706 256 HB3 ALA 34 HB3 ALA 34 -2.647 -2.178 -1.822 257 H ALA 35 H ALA 35 -0.303 -2.350 1.017 258 HA ALA 35 HA ALA 35 -2.318 -1.307 2.669 259 HB1 ALA 35 HB1 ALA 35 -1.007 -3.304 3.266 260 HB2 ALA 35 HB2 ALA 35 -0.950 -2.109 4.560 261 HB3 ALA 35 HB3 ALA 35 0.436 -2.307 3.485 262 H LEU 36 H LEU 36 0.988 -0.197 2.031 263 HA LEU 36 HA LEU 36 0.982 2.030 3.811 264 HB2 LEU 36 HB3 LEU 36 2.726 1.421 1.393 265 HB3 LEU 36 HB2 LEU 36 3.035 2.726 2.529 266 HG LEU 36 HG LEU 36 3.058 -0.242 3.219 267 HD11 LEU 36 HD11 LEU 36 5.405 1.659 2.920 268 HD12 LEU 36 HD12 LEU 36 4.969 0.355 1.815 269 HD13 LEU 36 HD13 LEU 36 5.487 -0.024 3.454 270 HD21 LEU 36 HD21 LEU 36 2.338 1.084 5.147 271 HD22 LEU 36 HD22 LEU 36 3.742 2.139 4.981 272 HD23 LEU 36 HD23 LEU 36 3.956 0.442 5.415 273 H TRP 37 H TRP 37 0.062 1.676 0.378 274 HA TRP 37 HA TRP 37 -0.343 4.476 -0.123 275 HB2 TRP 37 HB3 TRP 37 -1.403 1.989 -1.521 276 HB3 TRP 37 HB2 TRP 37 -1.835 3.610 -2.045 277 HD1 TRP 37 HD1 TRP 37 1.790 2.682 -1.050 278 HE1 TRP 37 HE1 TRP 37 3.263 2.855 -3.141 279 HE3 TRP 37 HE3 TRP 37 -1.826 3.580 -4.551 280 HZ2 TRP 37 HZ2 TRP 37 2.970 3.303 -5.893 281 HZ3 TRP 37 HZ3 TRP 37 -1.140 3.870 -6.895 282 HH2 TRP 37 HH2 TRP 37 1.209 3.736 -7.555 283 H GLN 38 H GLN 38 -2.316 1.941 1.323 284 HA GLN 38 HA GLN 38 -4.785 3.451 1.326 285 HB2 GLN 38 HB3 GLN 38 -3.996 0.874 2.736 286 HB3 GLN 38 HB2 GLN 38 -5.608 1.583 2.828 287 HG2 GLN 38 HG3 GLN 38 -5.886 1.353 0.411 288 HG3 GLN 38 HG2 GLN 38 -4.244 0.731 0.264 289 HE21 GLN 38 HE21 GLN 38 -4.938 -1.187 -0.687 290 HE22 GLN 38 HE22 GLN 38 -5.765 -2.422 0.194 291 H GLN 39 H GLN 39 -2.040 3.216 3.444 292 HA GLN 39 HA GLN 39 -3.329 4.577 5.671 293 HB2 GLN 39 HB3 GLN 39 -0.376 3.987 5.162 294 HB3 GLN 39 HB2 GLN 39 -1.043 4.617 6.666 295 HG2 GLN 39 HG3 GLN 39 -2.374 2.523 6.913 296 HG3 GLN 39 HG2 GLN 39 -1.602 1.893 5.461 297 HE21 GLN 39 HE21 GLN 39 -1.571 0.781 8.122 298 HE22 GLN 39 HE22 GLN 39 0.088 0.681 8.603 299 H LEU 40 H LEU 40 -0.664 5.373 3.424 300 HA LEU 40 HA LEU 40 -0.281 8.024 4.240 301 HB2 LEU 40 HB3 LEU 40 0.621 6.361 1.897 302 HB3 LEU 40 HB2 LEU 40 0.892 8.088 1.834 303 HG LEU 40 HG LEU 40 2.876 6.903 2.628 304 HD11 LEU 40 HD11 LEU 40 2.509 9.210 3.382 305 HD12 LEU 40 HD12 LEU 40 3.368 8.272 4.599 306 HD13 LEU 40 HD13 LEU 40 1.652 8.617 4.810 307 HD21 LEU 40 HD21 LEU 40 1.889 4.957 3.724 308 HD22 LEU 40 HD22 LEU 40 1.230 5.977 5.004 309 HD23 LEU 40 HD23 LEU 40 2.977 5.797 4.828 310 H LEU 41 H LEU 41 -2.012 6.774 1.362 311 HA LEU 41 HA LEU 41 -2.949 9.431 0.611 312 HB2 LEU 41 HB3 LEU 41 -3.828 6.746 -0.527 313 HB3 LEU 41 HB2 LEU 41 -4.065 8.323 -1.259 314 HG LEU 41 HG LEU 41 -1.408 6.925 -0.889 315 HD11 LEU 41 HD11 LEU 41 -2.732 5.840 -2.613 316 HD12 LEU 41 HD12 LEU 41 -1.356 6.677 -3.324 317 HD13 LEU 41 HD13 LEU 41 -2.970 7.383 -3.437 318 HD21 LEU 41 HD21 LEU 41 -2.013 9.589 -2.193 319 HD22 LEU 41 HD22 LEU 41 -0.456 8.762 -2.256 320 HD23 LEU 41 HD23 LEU 41 -1.090 9.323 -0.713 321 H SER 42 H SER 42 -3.924 6.978 2.744 322 HA SER 42 HA SER 42 -5.764 6.345 3.874 323 HB2 SER 42 HB3 SER 42 -6.574 9.268 3.531 324 HB3 SER 42 HB2 SER 42 -7.242 8.151 4.725 325 HG SER 42 HG SER 42 -4.668 8.014 5.058 326 H THR 43 H THR 43 -5.973 5.225 1.710 327 HA THR 43 HA THR 43 -8.461 5.893 0.252 328 HB THR 43 HB THR 43 -7.517 4.337 -1.516 329 HG1 THR 43 HG1 THR 43 -4.971 4.513 -0.387 330 HG21 THR 43 HG21 THR 43 -5.723 5.857 -2.338 331 HG22 THR 43 HG22 THR 43 -5.734 6.681 -0.777 332 HG23 THR 43 HG23 THR 43 -7.155 6.744 -1.820 333 H GLY 44 H GLY 44 -9.885 4.142 -0.298 334 HA2 GLY 44 HA3 GLY 44 -10.445 2.338 1.852 335 HA3 GLY 44 HA2 GLY 44 -11.289 2.437 0.312 336 H ASN 45 H ASN 45 -9.564 1.787 -1.566 337 HA ASN 45 HA ASN 45 -8.010 -0.580 -0.921 338 HB2 ASN 45 HB3 ASN 45 -10.230 -1.609 -1.058 339 HB3 ASN 45 HB2 ASN 45 -10.577 -0.783 -2.568 340 HD21 ASN 45 HD21 ASN 45 -8.661 -3.333 -1.086 341 HD22 ASN 45 HD22 ASN 45 -8.337 -4.195 -2.546 342 H VAL 46 H VAL 46 -6.218 -0.112 -2.016 343 HA VAL 46 HA VAL 46 -6.344 0.980 -4.762 344 HB VAL 46 HB VAL 46 -3.850 1.371 -4.473 345 HG11 VAL 46 HG11 VAL 46 -5.445 3.213 -4.166 346 HG12 VAL 46 HG12 VAL 46 -4.091 3.377 -3.051 347 HG13 VAL 46 HG13 VAL 46 -5.648 2.787 -2.466 348 HG21 VAL 46 HG21 VAL 46 -2.898 1.320 -2.191 349 HG22 VAL 46 HG22 VAL 46 -3.413 -0.281 -2.703 350 HG23 VAL 46 HG23 VAL 46 -4.403 0.636 -1.573 351 H THR 47 H THR 47 -5.423 -0.094 -6.461 352 HA THR 47 HA THR 47 -4.635 -2.935 -6.133 353 HB THR 47 HB THR 47 -6.039 -3.385 -8.234 354 HG1 THR 47 HG1 THR 47 -6.963 -1.707 -9.158 355 HG21 THR 47 HG21 THR 47 -7.626 -2.343 -5.851 356 HG22 THR 47 HG22 THR 47 -6.932 -3.961 -5.979 357 HG23 THR 47 HG23 THR 47 -8.209 -3.462 -7.088 358 H ARG 48 H ARG 48 -4.165 -3.514 -8.846 359 HA ARG 48 HA ARG 48 -1.477 -2.795 -9.025 360 HB2 ARG 48 HB3 ARG 48 -2.071 -4.806 -10.097 361 HB3 ARG 48 HB2 ARG 48 -3.403 -4.074 -10.983 362 HG2 ARG 48 HG3 ARG 48 -1.890 -3.003 -12.526 363 HG3 ARG 48 HG2 ARG 48 -0.488 -3.438 -11.554 364 HD2 ARG 48 HD3 ARG 48 -0.672 -5.748 -12.174 365 HD3 ARG 48 HD2 ARG 48 -2.274 -5.500 -12.875 366 HE ARG 48 HE ARG 48 -1.276 -4.908 -14.821 367 HH11 ARG 48 HH11 ARG 48 1.172 -4.292 -12.339 368 HH12 ARG 48 HH12 ARG 48 2.371 -3.817 -13.494 369 HH21 ARG 48 HH21 ARG 48 0.289 -4.223 -16.282 370 HH22 ARG 48 HH22 ARG 48 1.870 -3.773 -15.726 371 H GLU 49 H GLU 49 -4.193 -1.486 -10.911 372 HA GLU 49 HA GLU 49 -2.474 0.099 -12.626 373 HB2 GLU 49 HB3 GLU 49 -4.380 0.549 -13.949 374 HB3 GLU 49 HB2 GLU 49 -4.634 -1.090 -13.377 375 HG2 GLU 49 HG3 GLU 49 -6.015 1.430 -12.421 376 HG3 GLU 49 HG2 GLU 49 -6.730 0.080 -13.301 377 H THR 50 H THR 50 -3.859 0.596 -9.587 378 HA THR 50 HA THR 50 -4.677 3.249 -9.588 379 HB THR 50 HB THR 50 -3.298 1.695 -7.361 380 HG1 THR 50 HG1 THR 50 -5.619 1.299 -8.483 381 HG21 THR 50 HG21 THR 50 -4.943 4.246 -7.186 382 HG22 THR 50 HG22 THR 50 -3.215 4.112 -6.871 383 HG23 THR 50 HG23 THR 50 -4.358 3.301 -5.806 384 H ASP 51 H ASP 51 -3.641 4.977 -10.146 385 HA ASP 51 HA ASP 51 -0.719 5.130 -10.314 386 HB2 ASP 51 HB3 ASP 51 -2.225 5.798 -12.253 387 HB3 ASP 51 HB2 ASP 51 -2.910 7.060 -11.243 388 H PHE 52 H PHE 52 0.354 6.119 -8.703 389 HA PHE 52 HA PHE 52 -0.770 6.900 -6.281 390 HB2 PHE 52 HB3 PHE 52 1.646 6.193 -6.719 391 HB3 PHE 52 HB2 PHE 52 1.956 7.818 -7.323 392 HD1 PHE 52 HD1 PHE 52 2.027 9.743 -5.746 393 HD2 PHE 52 HD2 PHE 52 1.299 5.777 -4.339 394 HE1 PHE 52 HE1 PHE 52 2.444 10.473 -3.432 395 HE2 PHE 52 HE2 PHE 52 1.726 6.515 -2.038 396 HZ PHE 52 HZ PHE 52 2.294 8.862 -1.584 397 H PHE 53 H PHE 53 0.377 8.883 -8.968 398 HA PHE 53 HA PHE 53 0.055 11.399 -7.646 399 HB2 PHE 53 HB3 PHE 53 0.541 10.793 -10.590 400 HB3 PHE 53 HB2 PHE 53 0.736 12.366 -9.817 401 HD1 PHE 53 HD1 PHE 53 2.502 12.578 -7.925 402 HD2 PHE 53 HD2 PHE 53 2.377 9.237 -10.600 403 HE1 PHE 53 HE1 PHE 53 4.827 12.009 -7.341 404 HE2 PHE 53 HE2 PHE 53 4.702 8.691 -10.010 405 HZ PHE 53 HZ PHE 53 5.929 10.070 -8.382 406 H GLN 54 H GLN 54 -1.783 9.630 -10.106 407 HA GLN 54 HA GLN 54 -3.784 11.634 -10.511 408 HB2 GLN 54 HB3 GLN 54 -3.292 10.009 -12.269 409 HB3 GLN 54 HB2 GLN 54 -3.731 8.673 -11.217 410 HG2 GLN 54 HG3 GLN 54 -5.481 9.025 -12.831 411 HG3 GLN 54 HG2 GLN 54 -6.086 9.447 -11.235 412 HE21 GLN 54 HE21 GLN 54 -7.170 10.236 -13.775 413 HE22 GLN 54 HE22 GLN 54 -7.128 11.958 -13.854 414 H GLN 55 H GLN 55 -3.367 9.073 -8.185 415 HA GLN 55 HA GLN 55 -6.053 8.819 -7.236 416 HB2 GLN 55 HB3 GLN 55 -4.107 7.194 -6.841 417 HB3 GLN 55 HB2 GLN 55 -3.488 8.326 -5.649 418 HG2 GLN 55 HG3 GLN 55 -4.656 6.595 -4.479 419 HG3 GLN 55 HG2 GLN 55 -5.638 8.056 -4.376 420 HE21 GLN 55 HE21 GLN 55 -7.533 6.850 -3.972 421 HE22 GLN 55 HE22 GLN 55 -8.313 5.919 -5.200 422 H GLY 56 H GLY 56 -3.629 11.234 -6.845 423 HA2 GLY 56 HA3 GLY 56 -4.360 13.411 -5.957 424 HA3 GLY 56 HA2 GLY 56 -5.087 12.549 -4.605 425 H GLY 57 H GLY 57 -2.428 10.798 -5.084 426 HA2 GLY 57 HA3 GLY 57 -0.983 11.911 -2.874 427 HA3 GLY 57 HA2 GLY 57 -0.502 10.538 -3.860 428 H ASP 58 H ASP 58 0.709 13.283 -2.873 429 HA ASP 58 HA ASP 58 1.535 14.522 -5.385 430 HB2 ASP 58 HB3 ASP 58 0.856 15.740 -3.206 431 HB3 ASP 58 HB2 ASP 58 2.413 15.247 -2.553 432 H SER 59 H SER 59 3.972 15.048 -5.585 433 HA SER 59 HA SER 59 5.555 12.670 -5.539 434 HB2 SER 59 HB3 SER 59 7.377 14.199 -6.363 435 HB3 SER 59 HB2 SER 59 5.878 14.341 -7.285 436 HG SER 59 HG SER 59 6.056 16.394 -6.837 437 H LEU 60 H LEU 60 5.255 15.456 -3.430 438 HA LEU 60 HA LEU 60 7.434 15.014 -1.654 439 HB2 LEU 60 HB3 LEU 60 6.062 17.121 -1.863 440 HB3 LEU 60 HB2 LEU 60 4.713 16.304 -1.109 441 HG LEU 60 HG LEU 60 6.034 17.945 0.345 442 HD11 LEU 60 HD11 LEU 60 5.767 15.149 1.486 443 HD12 LEU 60 HD12 LEU 60 4.490 16.362 1.387 444 HD13 LEU 60 HD13 LEU 60 5.896 16.650 2.410 445 HD21 LEU 60 HD21 LEU 60 8.291 17.337 -0.389 446 HD22 LEU 60 HD22 LEU 60 8.129 15.753 0.373 447 HD23 LEU 60 HD23 LEU 60 8.135 17.214 1.362 448 H LEU 61 H LEU 61 4.044 14.027 -1.626 449 HA LEU 61 HA LEU 61 4.006 12.461 0.732 450 HB2 LEU 61 HB3 LEU 61 2.091 13.442 -0.855 451 HB3 LEU 61 HB2 LEU 61 2.203 11.886 -1.649 452 HG LEU 61 HG LEU 61 1.488 12.315 1.284 453 HD11 LEU 61 HD11 LEU 61 -0.327 11.675 -1.055 454 HD12 LEU 61 HD12 LEU 61 -0.264 13.190 -0.153 455 HD13 LEU 61 HD13 LEU 61 -0.810 11.718 0.643 456 HD21 LEU 61 HD21 LEU 61 2.520 10.123 0.959 457 HD22 LEU 61 HD22 LEU 61 1.383 9.758 -0.341 458 HD23 LEU 61 HD23 LEU 61 0.801 9.959 1.314 459 H ALA 62 H ALA 62 4.836 11.782 -2.606 460 HA ALA 62 HA ALA 62 5.001 8.939 -2.478 461 HB1 ALA 62 HB1 ALA 62 6.050 9.163 -4.694 462 HB2 ALA 62 HB2 ALA 62 6.222 10.899 -4.444 463 HB3 ALA 62 HB3 ALA 62 4.617 10.179 -4.562 464 H THR 63 H THR 63 7.315 11.560 -1.933 465 HA THR 63 HA THR 63 9.675 9.992 -1.630 466 HB THR 63 HB THR 63 8.965 12.712 -0.435 467 HG1 THR 63 HG1 THR 63 9.175 12.201 -2.886 468 HG21 THR 63 HG21 THR 63 11.711 11.424 -0.747 469 HG22 THR 63 HG22 THR 63 10.888 11.734 0.782 470 HG23 THR 63 HG23 THR 63 11.404 13.085 -0.224 471 H ARG 64 H ARG 64 7.105 11.001 0.614 472 HA ARG 64 HA ARG 64 8.214 9.849 2.979 473 HB2 ARG 64 HB3 ARG 64 5.309 10.450 2.269 474 HB3 ARG 64 HB2 ARG 64 5.880 10.018 3.879 475 HG2 ARG 64 HG3 ARG 64 7.306 12.066 3.889 476 HG3 ARG 64 HG2 ARG 64 6.635 12.509 2.319 477 HD2 ARG 64 HD3 ARG 64 4.389 12.685 3.309 478 HD3 ARG 64 HD2 ARG 64 5.030 12.176 4.879 479 HE ARG 64 HE ARG 64 6.453 14.427 3.933 480 HH11 ARG 64 HH11 ARG 64 3.304 13.662 5.324 481 HH12 ARG 64 HH12 ARG 64 3.102 15.249 5.998 482 HH21 ARG 64 HH21 ARG 64 6.163 16.479 4.839 483 HH22 ARG 64 HH22 ARG 64 4.714 16.832 5.726 484 H LEU 65 H LEU 65 6.093 8.639 0.426 485 HA LEU 65 HA LEU 65 5.279 6.202 1.600 486 HB2 LEU 65 HB3 LEU 65 4.253 7.418 -0.408 487 HB3 LEU 65 HB2 LEU 65 5.554 6.774 -1.386 488 HG LEU 65 HG LEU 65 3.338 5.558 -1.580 489 HD11 LEU 65 HD11 LEU 65 5.597 3.762 -0.655 490 HD12 LEU 65 HD12 LEU 65 5.409 4.429 -2.277 491 HD13 LEU 65 HD13 LEU 65 4.213 3.297 -1.653 492 HD21 LEU 65 HD21 LEU 65 2.619 4.029 0.201 493 HD22 LEU 65 HD22 LEU 65 2.626 5.699 0.759 494 HD23 LEU 65 HD23 LEU 65 3.924 4.605 1.241 495 H THR 66 H THR 66 7.934 6.955 -0.673 496 HA THR 66 HA THR 66 9.089 4.377 -0.828 497 HB THR 66 HB THR 66 11.204 5.582 -1.544 498 HG1 THR 66 HG1 THR 66 9.699 7.980 -1.383 499 HG21 THR 66 HG21 THR 66 8.657 6.508 -2.915 500 HG22 THR 66 HG22 THR 66 9.523 5.001 -3.230 501 HG23 THR 66 HG23 THR 66 10.274 6.549 -3.617 502 H GLY 67 H GLY 67 9.532 7.040 1.406 503 HA2 GLY 67 HA3 GLY 67 11.562 6.096 3.092 504 HA3 GLY 67 HA2 GLY 67 10.262 7.181 3.571 505 H GLN 68 H GLN 68 8.037 5.459 3.217 506 HA GLN 68 HA GLN 68 8.107 3.862 5.589 507 HB2 GLN 68 HB3 GLN 68 6.026 4.382 3.471 508 HB3 GLN 68 HB2 GLN 68 5.806 2.967 4.490 509 HG2 GLN 68 HG3 GLN 68 4.548 4.815 5.394 510 HG3 GLN 68 HG2 GLN 68 5.856 4.404 6.498 511 HE21 GLN 68 HE21 GLN 68 4.617 6.794 4.297 512 HE22 GLN 68 HE22 GLN 68 5.669 8.074 4.772 513 H LEU 69 H LEU 69 8.397 3.126 2.163 514 HA LEU 69 HA LEU 69 8.564 0.294 2.382 515 HB2 LEU 69 HB3 LEU 69 9.569 2.259 0.295 516 HB3 LEU 69 HB2 LEU 69 9.772 0.523 0.117 517 HG LEU 69 HG LEU 69 7.050 1.855 0.435 518 HD11 LEU 69 HD11 LEU 69 8.060 2.653 -1.643 519 HD12 LEU 69 HD12 LEU 69 6.725 1.554 -1.978 520 HD13 LEU 69 HD13 LEU 69 8.390 0.992 -2.147 521 HD21 LEU 69 HD21 LEU 69 7.107 -0.503 1.122 522 HD22 LEU 69 HD22 LEU 69 7.810 -0.961 -0.431 523 HD23 LEU 69 HD23 LEU 69 6.171 -0.308 -0.359 524 H HIS 70 H HIS 70 10.933 2.903 2.708 525 HA HIS 70 HA HIS 70 13.280 1.313 2.903 526 HB2 HIS 70 HB3 HIS 70 12.668 4.098 3.988 527 HB3 HIS 70 HB2 HIS 70 14.258 3.351 4.101 528 HD1 HIS 70 HD1 HIS 70 13.247 5.985 2.398 529 HD2 HIS 70 HD2 HIS 70 14.413 2.263 0.971 530 HE1 HIS 70 HE1 HIS 70 13.988 6.381 0.032 531 HE2 HIS 70 HE2 HIS 70 14.835 4.149 -0.763 532 H GLN 71 H GLN 71 10.761 2.108 5.215 533 HA GLN 71 HA GLN 71 12.153 1.279 7.590 534 HB2 GLN 71 HB3 GLN 71 9.146 1.445 7.144 535 HB3 GLN 71 HB2 GLN 71 9.970 1.385 8.700 536 HG2 GLN 71 HG3 GLN 71 11.106 3.582 8.000 537 HG3 GLN 71 HG2 GLN 71 9.932 3.635 6.690 538 HE21 GLN 71 HE21 GLN 71 7.718 3.950 7.190 539 HE22 GLN 71 HE22 GLN 71 7.210 4.573 8.714 540 H ALA 72 H ALA 72 10.135 -0.335 5.201 541 HA ALA 72 HA ALA 72 10.200 -2.929 6.514 542 HB1 ALA 72 HB1 ALA 72 8.303 -2.292 5.073 543 HB2 ALA 72 HB2 ALA 72 9.102 -3.737 4.459 544 HB3 ALA 72 HB3 ALA 72 9.382 -2.176 3.681 545 H GLY 73 H GLY 73 12.543 -1.143 5.074 546 HA2 GLY 73 HA3 GLY 73 14.741 -1.618 4.610 547 HA3 GLY 73 HA2 GLY 73 14.400 -3.329 4.809 548 H TYR 74 H TYR 74 12.366 -1.630 2.606 549 HA TYR 74 HA TYR 74 13.694 -2.865 0.285 550 HB2 TYR 74 HB3 TYR 74 10.938 -1.583 0.625 551 HB3 TYR 74 HB2 TYR 74 11.568 -2.145 -0.926 552 HD1 TYR 74 HD1 TYR 74 12.172 -4.617 -1.187 553 HD2 TYR 74 HD2 TYR 74 9.954 -3.143 2.145 554 HE1 TYR 74 HE1 TYR 74 11.419 -6.896 -0.682 555 HE2 TYR 74 HE2 TYR 74 9.194 -5.420 2.648 556 HH TYR 74 HH TYR 74 8.895 -7.571 1.481 557 H GLU 75 H GLU 75 14.850 -1.720 -1.097 558 HA GLU 75 HA GLU 75 15.219 1.113 -0.801 559 HB2 GLU 75 HB3 GLU 75 16.914 -0.823 -1.634 560 HB3 GLU 75 HB2 GLU 75 16.314 -0.350 -3.211 561 HG2 GLU 75 HG3 GLU 75 17.844 1.323 -1.204 562 HG3 GLU 75 HG2 GLU 75 18.332 0.870 -2.831 563 H ALA 76 H ALA 76 13.968 2.585 -1.678 564 HA ALA 76 HA ALA 76 12.385 2.109 -4.103 565 HB1 ALA 76 HB1 ALA 76 10.359 2.981 -2.998 566 HB2 ALA 76 HB2 ALA 76 11.232 3.068 -1.464 567 HB3 ALA 76 HB3 ALA 76 10.928 1.503 -2.219 568 H GLN 77 H GLN 77 12.222 3.903 -5.371 569 HA GLN 77 HA GLN 77 13.171 6.502 -4.314 570 HB2 GLN 77 HB3 GLN 77 14.007 5.201 -6.943 571 HB3 GLN 77 HB2 GLN 77 14.309 6.892 -6.553 572 HG2 GLN 77 HG3 GLN 77 15.402 4.493 -5.053 573 HG3 GLN 77 HG2 GLN 77 16.301 5.531 -6.158 574 HE21 GLN 77 HE21 GLN 77 16.729 4.933 -3.291 575 HE22 GLN 77 HE22 GLN 77 16.767 6.463 -2.497 576 H LEU 78 H LEU 78 12.254 8.300 -5.077 577 HA LEU 78 HA LEU 78 9.650 8.323 -6.158 578 HB2 LEU 78 HB3 LEU 78 10.472 10.095 -4.690 579 HB3 LEU 78 HB2 LEU 78 11.742 10.512 -5.828 580 HG LEU 78 HG LEU 78 10.066 11.365 -7.424 581 HD11 LEU 78 HD11 LEU 78 8.166 9.935 -6.903 582 HD12 LEU 78 HD12 LEU 78 7.707 11.632 -6.822 583 HD13 LEU 78 HD13 LEU 78 7.969 10.724 -5.332 584 HD21 LEU 78 HD21 LEU 78 11.055 12.942 -5.836 585 HD22 LEU 78 HD22 LEU 78 9.776 12.605 -4.666 586 HD23 LEU 78 HD23 LEU 78 9.389 13.388 -6.201 587 H SER 79 H SER 79 12.808 8.492 -7.660 588 HA SER 79 HA SER 79 12.235 9.428 -10.218 589 HB2 SER 79 HB3 SER 79 14.261 7.290 -9.441 590 HB3 SER 79 HB2 SER 79 14.318 8.297 -10.889 591 HG SER 79 HG SER 79 14.369 10.127 -9.350 592 H ASP 80 H ASP 80 12.112 6.085 -8.963 593 HA ASP 80 HA ASP 80 11.209 4.978 -11.471 594 HB2 ASP 80 HB3 ASP 80 12.687 3.748 -9.825 595 HB3 ASP 80 HB2 ASP 80 11.289 3.573 -8.774 596 H LEU 81 H LEU 81 9.643 6.419 -8.746 597 HA LEU 81 HA LEU 81 7.016 5.348 -9.209 598 HB2 LEU 81 HB3 LEU 81 8.057 7.758 -7.708 599 HB3 LEU 81 HB2 LEU 81 6.330 7.575 -7.965 600 HG LEU 81 HG LEU 81 8.037 5.480 -6.560 601 HD11 LEU 81 HD11 LEU 81 8.022 7.580 -5.266 602 HD12 LEU 81 HD12 LEU 81 7.132 6.298 -4.453 603 HD13 LEU 81 HD13 LEU 81 6.255 7.582 -5.289 604 HD21 LEU 81 HD21 LEU 81 5.867 4.568 -5.811 605 HD22 LEU 81 HD22 LEU 81 5.982 4.578 -7.568 606 HD23 LEU 81 HD23 LEU 81 5.015 5.805 -6.744 607 H PHE 82 H PHE 82 8.799 8.112 -10.572 608 HA PHE 82 HA PHE 82 6.580 9.030 -12.188 609 HB2 PHE 82 HB3 PHE 82 9.574 9.553 -12.373 610 HB3 PHE 82 HB2 PHE 82 8.408 10.265 -13.486 611 HD1 PHE 82 HD1 PHE 82 10.173 10.850 -10.490 612 HD2 PHE 82 HD2 PHE 82 6.351 11.499 -12.294 613 HE1 PHE 82 HE1 PHE 82 9.752 12.716 -8.949 614 HE2 PHE 82 HE2 PHE 82 5.945 13.367 -10.746 615 HZ PHE 82 HZ PHE 82 7.643 13.979 -9.074 616 H ASN 83 H ASN 83 9.142 6.673 -12.534 617 HA ASN 83 HA ASN 83 8.681 6.095 -15.331 618 HB2 ASN 83 HB3 ASN 83 10.890 5.700 -14.247 619 HB3 ASN 83 HB2 ASN 83 10.168 4.499 -13.182 620 HD21 ASN 83 HD21 ASN 83 11.508 2.842 -13.889 621 HD22 ASN 83 HD22 ASN 83 11.400 2.145 -15.472 622 H HIS 84 H HIS 84 7.485 4.921 -12.255 623 HA HIS 84 HA HIS 84 5.545 3.112 -13.542 624 HB2 HIS 84 HB3 HIS 84 7.238 2.299 -11.121 625 HB3 HIS 84 HB2 HIS 84 5.973 1.333 -11.871 626 HD1 HIS 84 HD1 HIS 84 9.216 0.764 -11.495 627 HD2 HIS 84 HD2 HIS 84 7.131 1.573 -14.981 628 HE1 HIS 84 HE1 HIS 84 10.559 -0.271 -13.350 629 HE2 HIS 84 HE2 HIS 84 9.161 0.058 -15.400 630 HA PRO 85 HA PRO 85 3.634 5.882 -10.288 631 HB2 PRO 85 HB3 PRO 85 1.508 6.275 -12.337 632 HB3 PRO 85 HB2 PRO 85 2.493 7.485 -11.492 633 HG2 PRO 85 HG3 PRO 85 2.836 6.985 -14.101 634 HG3 PRO 85 HG2 PRO 85 4.212 7.390 -13.047 635 HD2 PRO 85 HD3 PRO 85 3.300 4.665 -13.991 636 HD3 PRO 85 HD2 PRO 85 4.940 5.361 -13.966 637 H ARG 86 H ARG 86 2.456 3.285 -12.298 638 HA ARG 86 HA ARG 86 0.110 2.612 -10.821 639 HB2 ARG 86 HB3 ARG 86 1.724 1.366 -13.030 640 HB3 ARG 86 HB2 ARG 86 0.713 0.278 -12.092 641 HG2 ARG 86 HG3 ARG 86 -0.426 1.031 -14.106 642 HG3 ARG 86 HG2 ARG 86 -1.264 1.555 -12.650 643 HD2 ARG 86 HD3 ARG 86 -1.337 3.395 -14.167 644 HD3 ARG 86 HD2 ARG 86 -0.141 3.819 -12.942 645 HE ARG 86 HE ARG 86 1.151 2.587 -15.136 646 HH11 ARG 86 HH11 ARG 86 -0.471 5.629 -14.384 647 HH12 ARG 86 HH12 ARG 86 0.431 6.520 -15.564 648 HH21 ARG 86 HH21 ARG 86 2.321 3.807 -16.657 649 HH22 ARG 86 HH22 ARG 86 2.002 5.502 -16.842 650 H LEU 87 H LEU 87 -0.197 0.998 -9.309 651 HA LEU 87 HA LEU 87 1.669 0.955 -7.226 652 HB2 LEU 87 HB3 LEU 87 -0.841 0.760 -7.091 653 HB3 LEU 87 HB2 LEU 87 -0.704 -0.916 -7.584 654 HG LEU 87 HG LEU 87 0.588 0.150 -5.032 655 HD11 LEU 87 HD11 LEU 87 -1.348 -0.685 -3.802 656 HD12 LEU 87 HD12 LEU 87 -2.160 -1.098 -5.314 657 HD13 LEU 87 HD13 LEU 87 -1.804 0.588 -4.924 658 HD21 LEU 87 HD21 LEU 87 -0.138 -2.705 -5.814 659 HD22 LEU 87 HD22 LEU 87 0.517 -2.195 -4.255 660 HD23 LEU 87 HD23 LEU 87 1.493 -2.029 -5.709 661 H ALA 88 H ALA 88 0.531 -1.850 -9.179 662 HA ALA 88 HA ALA 88 2.492 -3.602 -7.889 663 HB1 ALA 88 HB1 ALA 88 0.234 -4.456 -8.442 664 HB2 ALA 88 HB2 ALA 88 1.501 -5.414 -9.208 665 HB3 ALA 88 HB3 ALA 88 0.581 -4.250 -10.161 666 H ASP 89 H ASP 89 2.351 -1.629 -10.645 667 HA ASP 89 HA ASP 89 4.309 -2.941 -12.286 668 HB2 ASP 89 HB3 ASP 89 2.408 -1.213 -12.916 669 HB3 ASP 89 HB2 ASP 89 3.589 0.006 -12.463 670 H PHE 90 H PHE 90 4.312 -0.463 -9.753 671 HA PHE 90 HA PHE 90 7.173 0.078 -9.887 672 HB2 PHE 90 HB3 PHE 90 5.656 1.875 -9.180 673 HB3 PHE 90 HB2 PHE 90 5.025 0.888 -7.867 674 HD1 PHE 90 HD1 PHE 90 8.245 2.388 -9.109 675 HD2 PHE 90 HD2 PHE 90 5.963 1.164 -5.702 676 HE1 PHE 90 HE1 PHE 90 9.961 3.315 -7.614 677 HE2 PHE 90 HE2 PHE 90 7.691 2.100 -4.220 678 HZ PHE 90 HZ PHE 90 9.692 3.175 -5.172 679 H ALA 91 H ALA 91 4.955 -1.770 -7.856 680 HA ALA 91 HA ALA 91 6.646 -2.348 -5.692 681 HB1 ALA 91 HB1 ALA 91 4.959 -4.015 -5.054 682 HB2 ALA 91 HB2 ALA 91 4.231 -3.910 -6.659 683 HB3 ALA 91 HB3 ALA 91 4.189 -2.514 -5.583 684 H ALA 92 H ALA 92 5.862 -4.249 -8.590 685 HA ALA 92 HA ALA 92 7.460 -6.523 -7.966 686 HB1 ALA 92 HB1 ALA 92 5.578 -6.623 -9.540 687 HB2 ALA 92 HB2 ALA 92 7.065 -7.183 -10.309 688 HB3 ALA 92 HB3 ALA 92 6.441 -5.570 -10.664 689 H THR 93 H THR 93 8.430 -3.384 -8.944 690 HA THR 93 HA THR 93 10.857 -4.244 -10.365 691 HB THR 93 HB THR 93 9.904 -1.396 -9.797 692 HG1 THR 93 HG1 THR 93 8.368 -2.185 -11.100 693 HG21 THR 93 HG21 THR 93 11.380 -0.744 -11.655 694 HG22 THR 93 HG22 THR 93 11.874 -2.420 -11.901 695 HG23 THR 93 HG23 THR 93 12.326 -1.572 -10.420 696 H LEU 94 H LEU 94 9.886 -2.885 -7.228 697 HA LEU 94 HA LEU 94 12.513 -1.866 -6.620 698 HB2 LEU 94 HB3 LEU 94 11.626 -1.213 -4.446 699 HB3 LEU 94 HB2 LEU 94 10.566 -0.721 -5.748 700 HG LEU 94 HG LEU 94 9.162 -2.854 -5.118 701 HD11 LEU 94 HD11 LEU 94 10.683 -3.925 -3.567 702 HD12 LEU 94 HD12 LEU 94 9.212 -3.458 -2.724 703 HD13 LEU 94 HD13 LEU 94 10.682 -2.505 -2.518 704 HD21 LEU 94 HD21 LEU 94 9.149 -0.432 -3.283 705 HD22 LEU 94 HD22 LEU 94 7.819 -1.570 -3.517 706 HD23 LEU 94 HD23 LEU 94 8.347 -0.553 -4.853 707 H ARG 95 H ARG 95 13.807 -2.524 -4.803 708 HA ARG 95 HA ARG 95 13.901 -5.460 -4.379 709 HB2 ARG 95 HB3 ARG 95 16.260 -3.601 -4.959 710 HB3 ARG 95 HB2 ARG 95 16.360 -5.336 -4.668 711 HG2 ARG 95 HG3 ARG 95 15.118 -5.778 -6.744 712 HG3 ARG 95 HG2 ARG 95 14.947 -4.045 -7.027 713 HD2 ARG 95 HD3 ARG 95 17.422 -3.853 -7.212 714 HD3 ARG 95 HD2 ARG 95 17.553 -5.602 -6.978 715 HE ARG 95 HE ARG 95 15.996 -5.662 -9.057 716 HH11 ARG 95 HH11 ARG 95 18.648 -3.403 -8.585 717 HH12 ARG 95 HH12 ARG 95 18.941 -3.216 -10.284 718 HH21 ARG 95 HH21 ARG 95 16.369 -5.402 -11.273 719 HH22 ARG 95 HH22 ARG 95 17.640 -4.352 -11.819 720 H LYS 96 H LYS 96 15.492 -5.949 -2.533 721 HA LYS 96 HA LYS 96 14.983 -4.430 -0.185 722 HB2 LYS 96 HB3 LYS 96 16.832 -6.748 -0.826 723 HB3 LYS 96 HB2 LYS 96 17.043 -5.893 0.694 724 HG2 LYS 96 HG3 LYS 96 14.506 -7.311 -0.192 725 HG3 LYS 96 HG2 LYS 96 15.672 -7.896 1.003 726 HD2 LYS 96 HD3 LYS 96 15.201 -5.823 2.370 727 HD3 LYS 96 HD2 LYS 96 13.930 -5.415 1.217 728 HE2 LYS 96 HE3 LYS 96 12.952 -6.453 3.165 729 HE3 LYS 96 HE2 LYS 96 12.778 -7.546 1.788 730 HZ1 LYS 96 HZ1 LYS 96 14.615 -8.838 2.592 731 HZ2 LYS 96 HZ2 LYS 96 13.487 -8.655 3.837 732 HZ3 LYS 96 HZ3 LYS 96 14.902 -7.740 3.847 733 H THR 97 H THR 97 16.532 -3.429 1.147 734 HA THR 97 HA THR 97 18.570 -1.769 -0.168 735 HB THR 97 HB THR 97 17.487 -1.687 2.708 736 HG1 THR 97 HG1 THR 97 16.207 -1.083 0.509 737 HG21 THR 97 HG21 THR 97 18.310 0.633 2.741 738 HG22 THR 97 HG22 THR 97 18.966 0.442 1.114 739 HG23 THR 97 HG23 THR 97 19.637 -0.493 2.452 740 H ASP 98 H ASP 98 20.733 -1.713 0.846 741 HA ASP 98 HA ASP 98 21.884 -4.171 1.633 742 HB2 ASP 98 HB3 ASP 98 22.904 -1.338 2.144 743 HB3 ASP 98 HB2 ASP 98 23.873 -2.805 2.291 744 H VAL 99 H VAL 99 21.250 -5.229 3.423 745 HA VAL 99 HA VAL 99 20.275 -4.110 5.825 746 HB VAL 99 HB VAL 99 20.508 -6.338 6.835 747 HG11 VAL 99 HG11 VAL 99 19.569 -6.555 3.947 748 HG12 VAL 99 HG12 VAL 99 18.605 -6.036 5.330 749 HG13 VAL 99 HG13 VAL 99 19.183 -7.699 5.237 750 HG21 VAL 99 HG21 VAL 99 22.180 -7.135 4.411 751 HG22 VAL 99 HG22 VAL 99 21.612 -8.239 5.666 752 HG23 VAL 99 HG23 VAL 99 22.756 -6.961 6.071 753 HA PRO 100 HA PRO 100 23.981 -2.612 7.883 754 HB2 PRO 100 HB3 PRO 100 22.854 -3.714 10.457 755 HB3 PRO 100 HB2 PRO 100 23.340 -2.052 10.048 756 HG2 PRO 100 HG3 PRO 100 20.772 -2.673 10.220 757 HG3 PRO 100 HG2 PRO 100 21.346 -1.586 8.932 758 HD2 PRO 100 HD3 PRO 100 20.641 -4.518 8.748 759 HD3 PRO 100 HD2 PRO 100 20.238 -3.189 7.636 760 H VAL 101 H VAL 101 23.090 -5.942 8.017 761 HA VAL 101 HA VAL 101 24.172 -7.905 8.153 762 HB VAL 101 HB VAL 101 26.801 -6.334 8.147 763 HG11 VAL 101 HG11 VAL 101 26.323 -9.269 7.461 764 HG12 VAL 101 HG12 VAL 101 27.135 -8.662 8.905 765 HG13 VAL 101 HG13 VAL 101 27.861 -8.412 7.318 766 HG21 VAL 101 HG21 VAL 101 26.868 -6.742 5.707 767 HG22 VAL 101 HG22 VAL 101 25.457 -5.787 6.160 768 HG23 VAL 101 HG23 VAL 101 25.277 -7.502 5.782 769 H GLU 102 H GLU 102 25.089 -9.333 9.732 770 HA GLU 102 HA GLU 102 25.763 -10.138 11.727 771 HB2 GLU 102 HB3 GLU 102 27.374 -8.205 11.900 772 HB3 GLU 102 HB2 GLU 102 26.125 -7.277 12.716 773 HG2 GLU 102 HG3 GLU 102 27.660 -8.118 14.367 774 HG3 GLU 102 HG2 GLU 102 26.126 -8.966 14.556 775 H GLN 103 H GLN 103 23.262 -7.747 11.503 776 HA GLN 103 HA GLN 103 22.008 -8.150 14.029 777 HB2 GLN 103 HB3 GLN 103 21.821 -6.075 12.628 778 HB3 GLN 103 HB2 GLN 103 20.890 -6.975 11.437 779 HG2 GLN 103 HG3 GLN 103 19.078 -7.289 13.026 780 HG3 GLN 103 HG2 GLN 103 20.033 -6.547 14.311 781 HE21 GLN 103 HE21 GLN 103 18.498 -4.920 14.684 782 HE22 GLN 103 HE22 GLN 103 18.236 -3.619 13.577 783 HA PRO 104 HA PRO 104 20.205 -12.097 12.523 784 HB2 PRO 104 HB3 PRO 104 19.781 -13.277 14.904 785 HB3 PRO 104 HB2 PRO 104 21.441 -12.963 14.353 786 HG2 PRO 104 HG3 PRO 104 19.791 -11.427 16.325 787 HG3 PRO 104 HG2 PRO 104 21.508 -11.884 16.406 788 HD2 PRO 104 HD3 PRO 104 20.576 -9.389 15.571 789 HD3 PRO 104 HD2 PRO 104 22.173 -10.058 15.181 790 H PHE 105 H PHE 105 18.612 -9.490 13.205 791 HA PHE 105 HA PHE 105 15.997 -10.624 13.937 792 HB2 PHE 105 HB3 PHE 105 16.916 -7.724 13.768 793 HB3 PHE 105 HB2 PHE 105 15.333 -8.261 14.320 794 HD1 PHE 105 HD1 PHE 105 15.237 -9.781 16.412 795 HD2 PHE 105 HD2 PHE 105 18.718 -7.559 15.319 796 HE1 PHE 105 HE1 PHE 105 16.105 -9.994 18.704 797 HE2 PHE 105 HE2 PHE 105 19.577 -7.775 17.610 798 HZ PHE 105 HZ PHE 105 18.272 -8.994 19.305 799 H VAL 106 H VAL 106 17.275 -11.010 11.332 800 HA VAL 106 HA VAL 106 15.057 -10.066 9.619 801 HB VAL 106 HB VAL 106 16.578 -10.724 7.654 802 HG11 VAL 106 HG11 VAL 106 17.532 -8.426 9.413 803 HG12 VAL 106 HG12 VAL 106 16.196 -8.367 8.264 804 HG13 VAL 106 HG13 VAL 106 17.842 -8.599 7.681 805 HG21 VAL 106 HG21 VAL 106 18.757 -10.724 9.790 806 HG22 VAL 106 HG22 VAL 106 19.027 -10.809 8.046 807 HG23 VAL 106 HG23 VAL 106 18.204 -12.128 8.877 808 H HIS 107 H HIS 107 13.522 -11.582 9.563 809 HA HIS 107 HA HIS 107 13.936 -14.382 9.195 810 HB2 HIS 107 HB3 HIS 107 14.719 -14.323 11.516 811 HB3 HIS 107 HB2 HIS 107 13.292 -13.431 12.028 812 HD1 HIS 107 HD1 HIS 107 11.555 -14.834 13.087 813 HD2 HIS 107 HD2 HIS 107 13.918 -17.057 10.479 814 HE1 HIS 107 HE1 HIS 107 10.721 -17.193 13.267 815 HE2 HIS 107 HE2 HIS 107 12.106 -18.509 11.630 816 H SER 108 H SER 108 11.868 -11.687 10.051 817 HA SER 108 HA SER 108 9.343 -12.937 10.166 818 HB2 SER 108 HB3 SER 108 8.451 -10.618 9.930 819 HB3 SER 108 HB2 SER 108 9.790 -10.674 11.076 820 HG SER 108 HG SER 108 9.612 -9.056 9.099 821 HA PRO 109 HA PRO 109 7.877 -13.514 5.857 822 HB2 PRO 109 HB3 PRO 109 5.733 -11.488 6.570 823 HB3 PRO 109 HB2 PRO 109 5.568 -13.060 5.752 824 HG2 PRO 109 HG3 PRO 109 4.911 -12.881 8.283 825 HG3 PRO 109 HG2 PRO 109 5.870 -14.278 7.735 826 HD2 PRO 109 HD3 PRO 109 6.781 -11.834 9.238 827 HD3 PRO 109 HD2 PRO 109 7.274 -13.531 9.437 828 H GLU 110 H GLU 110 8.794 -10.346 6.983 829 HA GLU 110 HA GLU 110 8.754 -9.050 4.365 830 HB2 GLU 110 HB3 GLU 110 9.947 -8.097 7.017 831 HB3 GLU 110 HB2 GLU 110 9.799 -7.126 5.555 832 HG2 GLU 110 HG3 GLU 110 8.033 -6.405 6.931 833 HG3 GLU 110 HG2 GLU 110 7.269 -7.463 5.751 834 H ASP 111 H ASP 111 10.575 -11.434 5.492 835 HA ASP 111 HA ASP 111 12.540 -12.395 5.107 836 HB2 ASP 111 HB3 ASP 111 12.338 -11.809 2.764 837 HB3 ASP 111 HB2 ASP 111 12.895 -10.174 3.062 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -27.271 -2.676 -4.533 2 H2 GLY 1 H2 GLY 1 -26.838 -4.040 -3.634 3 H3 GLY 1 H3 GLY 1 -26.768 -4.088 -5.319 4 HA2 GLY 1 HA2 GLY 1 -25.006 -2.464 -5.334 5 HA3 GLY 1 HA3 GLY 1 -25.106 -2.366 -3.580 6 H THR 2 H THR 2 -22.743 -2.877 -4.131 7 HA THR 2 HA THR 2 -20.922 -4.136 -4.106 8 HB THR 2 HB THR 2 -20.880 -6.122 -2.566 9 HG1 THR 2 HG1 THR 2 -23.653 -5.631 -2.151 10 HG21 THR 2 HG21 THR 2 -21.494 -4.919 -0.503 11 HG22 THR 2 HG22 THR 2 -22.395 -3.734 -1.454 12 HG23 THR 2 HG23 THR 2 -20.640 -3.852 -1.621 13 H ILE 3 H ILE 3 -23.013 -7.000 -4.227 14 HA ILE 3 HA ILE 3 -22.250 -7.663 -6.980 15 HB ILE 3 HB ILE 3 -21.561 -10.015 -6.265 16 HG12 ILE 3 HG13 ILE 3 -21.459 -8.778 -3.465 17 HG13 ILE 3 HG12 ILE 3 -22.593 -10.008 -4.004 18 HG21 ILE 3 HG21 ILE 3 -19.829 -8.410 -6.923 19 HG22 ILE 3 HG22 ILE 3 -19.249 -9.476 -5.643 20 HG23 ILE 3 HG23 ILE 3 -19.726 -7.823 -5.258 21 HD11 ILE 3 HD11 ILE 3 -19.617 -10.344 -3.647 22 HD12 ILE 3 HD12 ILE 3 -20.710 -11.574 -4.285 23 HD13 ILE 3 HD13 ILE 3 -20.902 -10.997 -2.629 24 H ASP 4 H ASP 4 -23.496 -9.606 -7.727 25 HA ASP 4 HA ASP 4 -26.191 -9.749 -6.721 26 HB2 ASP 4 HB3 ASP 4 -24.702 -11.363 -8.838 27 HB3 ASP 4 HB2 ASP 4 -26.393 -11.649 -8.435 28 H TYR 5 H TYR 5 -25.946 -10.372 -4.572 29 HA TYR 5 HA TYR 5 -24.644 -12.888 -3.882 30 HB2 TYR 5 HB3 TYR 5 -25.254 -12.246 -1.520 31 HB3 TYR 5 HB2 TYR 5 -24.238 -11.085 -2.358 32 HD1 TYR 5 HD1 TYR 5 -27.699 -11.677 -1.057 33 HD2 TYR 5 HD2 TYR 5 -25.019 -8.835 -2.801 34 HE1 TYR 5 HE1 TYR 5 -29.274 -9.862 -0.533 35 HE2 TYR 5 HE2 TYR 5 -26.594 -7.031 -2.281 36 HH TYR 5 HH TYR 5 -28.948 -6.690 -1.807 37 H GLN 6 H GLN 6 -27.918 -11.708 -4.361 38 HA GLN 6 HA GLN 6 -29.181 -13.875 -2.860 39 HB2 GLN 6 HB3 GLN 6 -30.076 -11.553 -2.775 40 HB3 GLN 6 HB2 GLN 6 -30.428 -11.623 -4.501 41 HG2 GLN 6 HG3 GLN 6 -32.016 -13.492 -4.065 42 HG3 GLN 6 HG2 GLN 6 -31.698 -13.342 -2.343 43 HE21 GLN 6 HE21 GLN 6 -32.518 -11.520 -1.223 44 HE22 GLN 6 HE22 GLN 6 -33.755 -10.524 -1.905 45 H ALA 7 H ALA 7 -29.496 -12.684 -6.260 46 HA ALA 7 HA ALA 7 -30.624 -15.168 -7.191 47 HB1 ALA 7 HB1 ALA 7 -31.236 -13.033 -8.256 48 HB2 ALA 7 HB2 ALA 7 -30.531 -14.147 -9.430 49 HB3 ALA 7 HB3 ALA 7 -29.567 -12.814 -8.788 50 H LEU 8 H LEU 8 -27.470 -13.808 -6.860 51 HA LEU 8 HA LEU 8 -25.368 -14.409 -7.317 52 HB2 LEU 8 HB3 LEU 8 -26.461 -16.530 -6.036 53 HB3 LEU 8 HB2 LEU 8 -26.054 -17.335 -7.533 54 HG LEU 8 HG LEU 8 -24.316 -17.670 -5.796 55 HD11 LEU 8 HD11 LEU 8 -22.316 -17.084 -7.061 56 HD12 LEU 8 HD12 LEU 8 -23.255 -15.991 -8.083 57 HD13 LEU 8 HD13 LEU 8 -23.570 -17.728 -8.119 58 HD21 LEU 8 HD21 LEU 8 -24.620 -15.568 -4.556 59 HD22 LEU 8 HD22 LEU 8 -23.875 -14.671 -5.883 60 HD23 LEU 8 HD23 LEU 8 -22.929 -15.850 -4.969 61 H LYS 9 H LYS 9 -26.143 -13.313 -9.377 62 HA LYS 9 HA LYS 9 -26.035 -14.933 -11.792 63 HB2 LYS 9 HB3 LYS 9 -26.054 -11.896 -11.436 64 HB3 LYS 9 HB2 LYS 9 -26.229 -12.746 -12.973 65 HG2 LYS 9 HG3 LYS 9 -28.354 -13.729 -12.194 66 HG3 LYS 9 HG2 LYS 9 -28.177 -12.904 -10.638 67 HD2 LYS 9 HD3 LYS 9 -28.304 -10.710 -11.791 68 HD3 LYS 9 HD2 LYS 9 -28.460 -11.528 -13.351 69 HE2 LYS 9 HE3 LYS 9 -30.596 -12.515 -12.615 70 HE3 LYS 9 HE2 LYS 9 -30.430 -11.728 -11.045 71 HZ1 LYS 9 HZ1 LYS 9 -30.536 -9.588 -12.154 72 HZ2 LYS 9 HZ2 LYS 9 -31.910 -10.509 -12.503 73 HZ3 LYS 9 HZ3 LYS 9 -30.690 -10.340 -13.657 74 H ARG 10 H ARG 10 -23.928 -15.879 -11.226 75 HA ARG 10 HA ARG 10 -21.619 -14.159 -10.947 76 HB2 ARG 10 HB3 ARG 10 -20.318 -16.113 -10.553 77 HB3 ARG 10 HB2 ARG 10 -21.854 -16.391 -9.760 78 HG2 ARG 10 HG3 ARG 10 -21.788 -17.499 -12.500 79 HG3 ARG 10 HG2 ARG 10 -20.532 -18.171 -11.470 80 HD2 ARG 10 HD3 ARG 10 -22.434 -19.618 -11.328 81 HD3 ARG 10 HD2 ARG 10 -22.327 -18.751 -9.800 82 HE ARG 10 HE ARG 10 -24.334 -17.751 -10.235 83 HH11 ARG 10 HH11 ARG 10 -23.274 -19.357 -13.189 84 HH12 ARG 10 HH12 ARG 10 -24.785 -19.118 -13.998 85 HH21 ARG 10 HH21 ARG 10 -26.295 -17.412 -11.335 86 HH22 ARG 10 HH22 ARG 10 -26.496 -18.013 -12.946 87 H ARG 11 H ARG 11 -19.862 -14.039 -12.359 88 HA ARG 11 HA ARG 11 -19.798 -15.403 -14.903 89 HB2 ARG 11 HB3 ARG 11 -21.245 -13.377 -15.386 90 HB3 ARG 11 HB2 ARG 11 -19.924 -12.343 -14.849 91 HG2 ARG 11 HG3 ARG 11 -18.508 -13.350 -16.705 92 HG3 ARG 11 HG2 ARG 11 -19.966 -14.158 -17.287 93 HD2 ARG 11 HD3 ARG 11 -19.581 -11.156 -17.033 94 HD3 ARG 11 HD2 ARG 11 -19.479 -12.077 -18.535 95 HE ARG 11 HE ARG 11 -21.941 -11.719 -16.921 96 HH11 ARG 11 HH11 ARG 11 -20.412 -12.208 -20.056 97 HH12 ARG 11 HH12 ARG 11 -21.905 -12.094 -20.931 98 HH21 ARG 11 HH21 ARG 11 -23.878 -11.527 -18.099 99 HH22 ARG 11 HH22 ARG 11 -23.860 -11.706 -19.824 100 H HIS 12 H HIS 12 -17.710 -16.039 -15.027 101 HA HIS 12 HA HIS 12 -15.610 -14.989 -13.415 102 HB2 HIS 12 HB3 HIS 12 -15.525 -16.807 -15.859 103 HB3 HIS 12 HB2 HIS 12 -14.098 -16.402 -14.913 104 HD1 HIS 12 HD1 HIS 12 -13.714 -17.677 -12.769 105 HD2 HIS 12 HD2 HIS 12 -17.405 -18.498 -14.481 106 HE1 HIS 12 HE1 HIS 12 -14.623 -19.648 -11.513 107 HE2 HIS 12 HE2 HIS 12 -16.853 -20.125 -12.569 108 H THR 13 H THR 13 -16.733 -14.292 -16.642 109 HA THR 13 HA THR 13 -16.515 -12.543 -18.007 110 HB THR 13 HB THR 13 -15.083 -11.094 -15.735 111 HG1 THR 13 HG1 THR 13 -16.984 -11.697 -14.845 112 HG21 THR 13 HG21 THR 13 -16.036 -9.055 -16.738 113 HG22 THR 13 HG22 THR 13 -16.764 -10.017 -18.028 114 HG23 THR 13 HG23 THR 13 -15.007 -9.892 -17.902 115 HA PRO 14 HA PRO 14 -12.174 -13.685 -19.302 116 HB2 PRO 14 HB3 PRO 14 -12.850 -14.359 -21.892 117 HB3 PRO 14 HB2 PRO 14 -12.945 -15.506 -20.539 118 HG2 PRO 14 HG3 PRO 14 -15.155 -13.927 -21.827 119 HG3 PRO 14 HG2 PRO 14 -15.147 -15.621 -21.286 120 HD2 PRO 14 HD3 PRO 14 -16.276 -13.623 -19.800 121 HD3 PRO 14 HD2 PRO 14 -15.540 -15.064 -19.062 122 H GLU 15 H GLU 15 -11.887 -11.413 -18.944 123 HA GLU 15 HA GLU 15 -11.733 -9.690 -21.281 124 HB2 GLU 15 HB3 GLU 15 -14.145 -9.547 -20.515 125 HB3 GLU 15 HB2 GLU 15 -13.592 -8.994 -18.944 126 HG2 GLU 15 HG3 GLU 15 -14.460 -7.160 -20.376 127 HG3 GLU 15 HG2 GLU 15 -12.780 -6.915 -19.894 128 H ALA 16 H ALA 16 -10.778 -7.477 -20.548 129 HA ALA 16 HA ALA 16 -8.475 -7.607 -19.029 130 HB1 ALA 16 HB1 ALA 16 -8.556 -5.122 -18.976 131 HB2 ALA 16 HB2 ALA 16 -10.254 -5.171 -19.464 132 HB3 ALA 16 HB3 ALA 16 -9.007 -5.754 -20.565 133 H GLU 17 H GLU 17 -7.948 -6.586 -16.955 134 HA GLU 17 HA GLU 17 -9.165 -8.035 -14.904 135 HB2 GLU 17 HB3 GLU 17 -7.229 -5.680 -14.771 136 HB3 GLU 17 HB2 GLU 17 -7.709 -6.609 -13.354 137 HG2 GLU 17 HG3 GLU 17 -5.512 -7.319 -14.195 138 HG3 GLU 17 HG2 GLU 17 -6.689 -8.633 -14.284 139 H ASN 18 H ASN 18 -11.188 -7.722 -14.278 140 HA ASN 18 HA ASN 18 -12.718 -5.379 -14.466 141 HB2 ASN 18 HB3 ASN 18 -13.120 -7.884 -12.770 142 HB3 ASN 18 HB2 ASN 18 -14.305 -6.589 -12.856 143 HD21 ASN 18 HD21 ASN 18 -12.459 -7.669 -15.699 144 HD22 ASN 18 HD22 ASN 18 -13.798 -8.411 -16.481 145 HA PRO 19 HA PRO 19 -11.006 -3.223 -10.824 146 HB2 PRO 19 HB3 PRO 19 -13.072 -1.150 -11.389 147 HB3 PRO 19 HB2 PRO 19 -11.302 -1.001 -11.389 148 HG2 PRO 19 HG3 PRO 19 -12.688 -0.921 -13.685 149 HG3 PRO 19 HG2 PRO 19 -11.094 -1.708 -13.594 150 HD2 PRO 19 HD3 PRO 19 -13.831 -3.004 -13.511 151 HD3 PRO 19 HD2 PRO 19 -12.404 -3.464 -14.476 152 H ALA 20 H ALA 20 -11.858 -4.907 -9.543 153 HA ALA 20 HA ALA 20 -13.894 -4.210 -7.666 154 HB1 ALA 20 HB1 ALA 20 -15.431 -6.106 -8.121 155 HB2 ALA 20 HB2 ALA 20 -14.501 -6.523 -9.564 156 HB3 ALA 20 HB3 ALA 20 -15.378 -4.993 -9.492 157 H GLU 21 H GLU 21 -12.533 -7.230 -9.060 158 HA GLU 21 HA GLU 21 -11.282 -7.903 -6.467 159 HB2 GLU 21 HB3 GLU 21 -12.281 -10.175 -6.541 160 HB3 GLU 21 HB2 GLU 21 -13.494 -8.909 -6.359 161 HG2 GLU 21 HG3 GLU 21 -14.112 -9.096 -8.714 162 HG3 GLU 21 HG2 GLU 21 -12.822 -10.268 -8.993 163 H ALA 22 H ALA 22 -11.044 -7.841 -9.850 164 HA ALA 22 HA ALA 22 -9.168 -10.097 -10.078 165 HB1 ALA 22 HB1 ALA 22 -10.879 -9.804 -11.833 166 HB2 ALA 22 HB2 ALA 22 -9.252 -9.637 -12.501 167 HB3 ALA 22 HB3 ALA 22 -10.238 -8.201 -12.203 168 H ASP 23 H ASP 23 -9.170 -6.709 -9.639 169 HA ASP 23 HA ASP 23 -6.443 -6.286 -10.698 170 HB2 ASP 23 HB3 ASP 23 -6.995 -3.888 -10.620 171 HB3 ASP 23 HB2 ASP 23 -8.212 -4.773 -11.531 172 H LEU 24 H LEU 24 -8.118 -6.617 -7.687 173 HA LEU 24 HA LEU 24 -6.923 -4.768 -6.004 174 HB2 LEU 24 HB3 LEU 24 -7.604 -6.253 -4.116 175 HB3 LEU 24 HB2 LEU 24 -8.867 -5.963 -5.287 176 HG LEU 24 HG LEU 24 -8.414 -8.304 -6.218 177 HD11 LEU 24 HD11 LEU 24 -6.770 -8.628 -3.695 178 HD12 LEU 24 HD12 LEU 24 -6.171 -8.685 -5.352 179 HD13 LEU 24 HD13 LEU 24 -7.271 -9.934 -4.776 180 HD21 LEU 24 HD21 LEU 24 -9.681 -9.449 -4.464 181 HD22 LEU 24 HD22 LEU 24 -10.322 -7.832 -4.748 182 HD23 LEU 24 HD23 LEU 24 -9.319 -8.141 -3.328 183 HA PRO 25 HA PRO 25 -2.692 -5.674 -5.263 184 HB2 PRO 25 HB3 PRO 25 -2.934 -5.903 -2.292 185 HB3 PRO 25 HB2 PRO 25 -2.034 -4.727 -3.256 186 HG2 PRO 25 HG3 PRO 25 -4.283 -4.053 -1.938 187 HG3 PRO 25 HG2 PRO 25 -3.825 -3.313 -3.486 188 HD2 PRO 25 HD3 PRO 25 -5.897 -5.419 -2.952 189 HD3 PRO 25 HD2 PRO 25 -5.928 -4.064 -4.104 190 H GLN 26 H GLN 26 -1.821 -7.515 -5.799 191 HA GLN 26 HA GLN 26 -2.279 -10.038 -4.312 192 HB2 GLN 26 HB3 GLN 26 -2.266 -9.657 -7.352 193 HB3 GLN 26 HB2 GLN 26 -2.307 -11.220 -6.543 194 HG2 GLN 26 HG3 GLN 26 -4.523 -10.883 -5.765 195 HG3 GLN 26 HG2 GLN 26 -4.477 -9.159 -6.105 196 HE21 GLN 26 HE21 GLN 26 -4.708 -8.444 -8.245 197 HE22 GLN 26 HE22 GLN 26 -5.368 -9.453 -9.484 198 H GLY 27 H GLY 27 -0.418 -11.379 -4.279 199 HA2 GLY 27 HA3 GLY 27 1.886 -11.845 -4.589 200 HA3 GLY 27 HA2 GLY 27 2.099 -10.293 -5.392 201 H ASP 28 H ASP 28 3.441 -11.645 -3.049 202 HA ASP 28 HA ASP 28 2.792 -10.623 -0.563 203 HB2 ASP 28 HB3 ASP 28 4.390 -12.443 -0.857 204 HB3 ASP 28 HB2 ASP 28 5.521 -11.384 -1.694 205 H ILE 29 H ILE 29 4.989 -9.218 -2.968 206 HA ILE 29 HA ILE 29 5.832 -7.037 -1.329 207 HB ILE 29 HB ILE 29 6.075 -7.361 -4.348 208 HG12 ILE 29 HG13 ILE 29 7.177 -9.239 -3.195 209 HG13 ILE 29 HG12 ILE 29 8.392 -8.176 -3.890 210 HG21 ILE 29 HG21 ILE 29 6.397 -5.021 -3.676 211 HG22 ILE 29 HG22 ILE 29 7.934 -5.722 -4.188 212 HG23 ILE 29 HG23 ILE 29 7.592 -5.506 -2.469 213 HD11 ILE 29 HD11 ILE 29 9.061 -8.974 -1.713 214 HD12 ILE 29 HD12 ILE 29 7.606 -8.307 -0.975 215 HD13 ILE 29 HD13 ILE 29 8.827 -7.228 -1.665 216 H GLU 30 H GLU 30 3.575 -7.324 -4.123 217 HA GLU 30 HA GLU 30 2.868 -4.645 -4.393 218 HB2 GLU 30 HB3 GLU 30 1.180 -7.116 -4.947 219 HB3 GLU 30 HB2 GLU 30 0.662 -5.491 -5.367 220 HG2 GLU 30 HG3 GLU 30 1.497 -6.341 -7.375 221 HG3 GLU 30 HG2 GLU 30 2.800 -5.322 -6.771 222 H LYS 31 H LYS 31 1.357 -7.104 -2.282 223 HA LYS 31 HA LYS 31 -0.776 -5.427 -1.380 224 HB2 LYS 31 HB3 LYS 31 -1.302 -7.223 0.178 225 HB3 LYS 31 HB2 LYS 31 -0.915 -7.909 -1.398 226 HG2 LYS 31 HG3 LYS 31 1.420 -8.372 -0.525 227 HG3 LYS 31 HG2 LYS 31 0.857 -7.875 1.076 228 HD2 LYS 31 HD3 LYS 31 -0.262 -10.180 -0.572 229 HD3 LYS 31 HD2 LYS 31 0.853 -10.340 0.787 230 HE2 LYS 31 HE3 LYS 31 -0.849 -9.460 2.323 231 HE3 LYS 31 HE2 LYS 31 -1.959 -9.185 0.976 232 HZ1 LYS 31 HZ1 LYS 31 -0.926 -11.822 1.870 233 HZ2 LYS 31 HZ2 LYS 31 -1.947 -11.566 0.550 234 HZ3 LYS 31 HZ3 LYS 31 -2.490 -11.226 2.111 235 H GLN 32 H GLN 32 2.500 -6.012 -0.264 236 HA GLN 32 HA GLN 32 2.297 -4.861 2.343 237 HB2 GLN 32 HB3 GLN 32 4.136 -6.388 1.631 238 HB3 GLN 32 HB2 GLN 32 4.722 -5.166 0.507 239 HG2 GLN 32 HG3 GLN 32 5.169 -3.662 2.470 240 HG3 GLN 32 HG2 GLN 32 4.692 -4.980 3.542 241 HE21 GLN 32 HE21 GLN 32 6.702 -5.201 4.523 242 HE22 GLN 32 HE22 GLN 32 8.103 -5.776 3.690 243 H VAL 33 H VAL 33 3.410 -3.667 -0.796 244 HA VAL 33 HA VAL 33 4.013 -0.987 -0.064 245 HB VAL 33 HB VAL 33 3.268 -2.054 -2.832 246 HG11 VAL 33 HG11 VAL 33 3.326 0.408 -2.748 247 HG12 VAL 33 HG12 VAL 33 4.671 -0.210 -3.710 248 HG13 VAL 33 HG13 VAL 33 4.952 0.361 -2.062 249 HG21 VAL 33 HG21 VAL 33 6.028 -1.943 -1.572 250 HG22 VAL 33 HG22 VAL 33 5.646 -2.506 -3.202 251 HG23 VAL 33 HG23 VAL 33 5.075 -3.405 -1.798 252 H ALA 34 H ALA 34 1.130 -2.616 -1.232 253 HA ALA 34 HA ALA 34 -0.401 -0.338 -1.950 254 HB1 ALA 34 HB1 ALA 34 -1.363 -3.125 -1.251 255 HB2 ALA 34 HB2 ALA 34 -0.830 -2.587 -2.841 256 HB3 ALA 34 HB3 ALA 34 -2.277 -1.885 -2.122 257 H ALA 35 H ALA 35 -0.284 -2.350 0.995 258 HA ALA 35 HA ALA 35 -2.327 -1.139 2.478 259 HB1 ALA 35 HB1 ALA 35 -1.156 -2.013 4.471 260 HB2 ALA 35 HB2 ALA 35 0.291 -2.307 3.498 261 HB3 ALA 35 HB3 ALA 35 -1.187 -3.216 3.177 262 H LEU 36 H LEU 36 1.010 -0.201 1.915 263 HA LEU 36 HA LEU 36 1.058 2.046 3.688 264 HB2 LEU 36 HB3 LEU 36 2.881 1.327 1.363 265 HB3 LEU 36 HB2 LEU 36 3.212 2.576 2.558 266 HG LEU 36 HG LEU 36 2.960 -0.402 3.166 267 HD11 LEU 36 HD11 LEU 36 4.981 0.036 1.890 268 HD12 LEU 36 HD12 LEU 36 5.371 -0.384 3.556 269 HD13 LEU 36 HD13 LEU 36 5.457 1.300 3.028 270 HD21 LEU 36 HD21 LEU 36 2.260 0.960 5.073 271 HD22 LEU 36 HD22 LEU 36 3.764 1.886 4.996 272 HD23 LEU 36 HD23 LEU 36 3.798 0.168 5.409 273 H TRP 37 H TRP 37 0.495 1.632 0.159 274 HA TRP 37 HA TRP 37 0.194 4.353 -0.553 275 HB2 TRP 37 HB3 TRP 37 -0.973 1.813 -1.752 276 HB3 TRP 37 HB2 TRP 37 -1.360 3.389 -2.422 277 HD1 TRP 37 HD1 TRP 37 2.261 2.751 -1.370 278 HE1 TRP 37 HE1 TRP 37 3.706 2.580 -3.487 279 HE3 TRP 37 HE3 TRP 37 -1.444 2.688 -4.888 280 HZ2 TRP 37 HZ2 TRP 37 3.345 2.428 -6.267 281 HZ3 TRP 37 HZ3 TRP 37 -0.811 2.528 -7.265 282 HH2 TRP 37 HH2 TRP 37 1.541 2.399 -7.939 283 H GLN 38 H GLN 38 -2.062 2.050 0.907 284 HA GLN 38 HA GLN 38 -4.445 3.532 0.417 285 HB2 GLN 38 HB3 GLN 38 -3.826 1.238 2.312 286 HB3 GLN 38 HB2 GLN 38 -5.437 1.946 2.177 287 HG2 GLN 38 HG3 GLN 38 -5.573 1.339 -0.161 288 HG3 GLN 38 HG2 GLN 38 -3.903 0.781 -0.159 289 HE21 GLN 38 HE21 GLN 38 -4.496 -1.259 -0.900 290 HE22 GLN 38 HE22 GLN 38 -5.304 -2.410 0.101 291 H GLN 39 H GLN 39 -2.396 3.186 3.326 292 HA GLN 39 HA GLN 39 -3.935 4.996 4.911 293 HB2 GLN 39 HB3 GLN 39 -2.013 4.907 6.506 294 HB3 GLN 39 HB2 GLN 39 -2.606 3.320 6.033 295 HG2 GLN 39 HG3 GLN 39 -0.709 3.089 4.464 296 HG3 GLN 39 HG2 GLN 39 -0.113 4.668 4.967 297 HE21 GLN 39 HE21 GLN 39 1.856 3.781 5.669 298 HE22 GLN 39 HE22 GLN 39 1.980 2.843 7.111 299 H LEU 40 H LEU 40 -0.984 5.404 2.936 300 HA LEU 40 HA LEU 40 -0.391 8.066 3.684 301 HB2 LEU 40 HB3 LEU 40 0.493 6.137 1.580 302 HB3 LEU 40 HB2 LEU 40 0.797 7.819 1.228 303 HG LEU 40 HG LEU 40 2.743 6.665 2.231 304 HD11 LEU 40 HD11 LEU 40 2.549 9.092 2.452 305 HD12 LEU 40 HD12 LEU 40 3.363 8.388 3.843 306 HD13 LEU 40 HD13 LEU 40 1.678 8.901 3.978 307 HD21 LEU 40 HD21 LEU 40 2.811 6.084 4.619 308 HD22 LEU 40 HD22 LEU 40 1.655 5.097 3.731 309 HD23 LEU 40 HD23 LEU 40 1.079 6.417 4.751 310 H LEU 41 H LEU 41 -2.066 6.806 0.762 311 HA LEU 41 HA LEU 41 -2.625 9.449 -0.271 312 HB2 LEU 41 HB3 LEU 41 -3.808 6.795 -1.169 313 HB3 LEU 41 HB2 LEU 41 -3.879 8.311 -2.054 314 HG LEU 41 HG LEU 41 -1.435 6.601 -1.550 315 HD11 LEU 41 HD11 LEU 41 -2.851 7.248 -4.144 316 HD12 LEU 41 HD12 LEU 41 -2.868 5.700 -3.293 317 HD13 LEU 41 HD13 LEU 41 -1.363 6.307 -3.975 318 HD21 LEU 41 HD21 LEU 41 -0.764 8.932 -1.419 319 HD22 LEU 41 HD22 LEU 41 -1.575 9.283 -2.950 320 HD23 LEU 41 HD23 LEU 41 -0.171 8.212 -2.910 321 H SER 42 H SER 42 -4.076 7.546 2.116 322 HA SER 42 HA SER 42 -5.964 7.621 3.331 323 HB2 SER 42 HB3 SER 42 -6.389 10.328 1.995 324 HB3 SER 42 HB2 SER 42 -7.274 9.742 3.406 325 HG SER 42 HG SER 42 -5.268 9.640 4.518 326 H THR 43 H THR 43 -6.040 6.077 1.120 327 HA THR 43 HA THR 43 -8.638 6.443 -0.236 328 HB THR 43 HB THR 43 -7.807 4.730 -1.825 329 HG1 THR 43 HG1 THR 43 -5.211 4.657 -0.957 330 HG21 THR 43 HG21 THR 43 -7.185 7.057 -2.327 331 HG22 THR 43 HG22 THR 43 -5.877 5.969 -2.796 332 HG23 THR 43 HG23 THR 43 -5.751 6.911 -1.311 333 H GLY 44 H GLY 44 -9.817 4.338 -0.678 334 HA2 GLY 44 HA3 GLY 44 -10.291 2.823 1.737 335 HA3 GLY 44 HA2 GLY 44 -11.062 2.586 0.172 336 H ASN 45 H ASN 45 -9.647 1.652 -1.554 337 HA ASN 45 HA ASN 45 -7.436 -0.051 -0.644 338 HB2 ASN 45 HB3 ASN 45 -9.909 -1.110 -2.094 339 HB3 ASN 45 HB2 ASN 45 -8.396 -1.998 -1.995 340 HD21 ASN 45 HD21 ASN 45 -7.820 -1.330 0.776 341 HD22 ASN 45 HD22 ASN 45 -8.974 -2.184 1.730 342 H VAL 46 H VAL 46 -5.912 0.989 -1.902 343 HA VAL 46 HA VAL 46 -6.179 1.419 -4.720 344 HB VAL 46 HB VAL 46 -3.736 1.607 -4.813 345 HG11 VAL 46 HG11 VAL 46 -3.341 3.428 -3.185 346 HG12 VAL 46 HG12 VAL 46 -4.797 2.955 -2.302 347 HG13 VAL 46 HG13 VAL 46 -4.927 3.569 -3.953 348 HG21 VAL 46 HG21 VAL 46 -3.666 0.584 -1.949 349 HG22 VAL 46 HG22 VAL 46 -2.283 1.165 -2.872 350 HG23 VAL 46 HG23 VAL 46 -3.121 -0.298 -3.376 351 H THR 47 H THR 47 -5.079 0.102 -6.363 352 HA THR 47 HA THR 47 -5.029 -2.809 -5.818 353 HB THR 47 HB THR 47 -6.195 -3.213 -7.904 354 HG1 THR 47 HG1 THR 47 -7.084 -1.389 -9.086 355 HG21 THR 47 HG21 THR 47 -8.440 -2.333 -7.359 356 HG22 THR 47 HG22 THR 47 -7.726 -1.180 -6.227 357 HG23 THR 47 HG23 THR 47 -7.615 -2.916 -5.911 358 H ARG 48 H ARG 48 -4.050 -3.960 -7.821 359 HA ARG 48 HA ARG 48 -1.442 -3.178 -8.358 360 HB2 ARG 48 HB3 ARG 48 -3.308 -5.122 -9.723 361 HB3 ARG 48 HB2 ARG 48 -1.729 -4.799 -10.427 362 HG2 ARG 48 HG3 ARG 48 -0.649 -5.541 -8.316 363 HG3 ARG 48 HG2 ARG 48 -2.243 -5.931 -7.653 364 HD2 ARG 48 HD3 ARG 48 -2.561 -7.728 -9.145 365 HD3 ARG 48 HD2 ARG 48 -1.373 -7.120 -10.298 366 HE ARG 48 HE ARG 48 -0.122 -7.831 -7.839 367 HH11 ARG 48 HH11 ARG 48 -1.500 -9.296 -10.744 368 HH12 ARG 48 HH12 ARG 48 -0.514 -10.715 -10.631 369 HH21 ARG 48 HH21 ARG 48 1.166 -9.695 -7.734 370 HH22 ARG 48 HH22 ARG 48 0.997 -10.936 -8.937 371 H GLU 49 H GLU 49 -4.379 -2.235 -10.003 372 HA GLU 49 HA GLU 49 -2.971 -1.068 -12.302 373 HB2 GLU 49 HB3 GLU 49 -5.023 -2.435 -12.660 374 HB3 GLU 49 HB2 GLU 49 -5.951 -1.284 -11.705 375 HG2 GLU 49 HG3 GLU 49 -5.389 0.483 -13.402 376 HG3 GLU 49 HG2 GLU 49 -4.606 -0.764 -14.379 377 H THR 50 H THR 50 -4.236 -0.021 -9.242 378 HA THR 50 HA THR 50 -5.054 2.596 -9.857 379 HB THR 50 HB THR 50 -3.885 1.497 -7.273 380 HG1 THR 50 HG1 THR 50 -6.172 1.012 -8.445 381 HG21 THR 50 HG21 THR 50 -5.397 4.107 -7.704 382 HG22 THR 50 HG22 THR 50 -3.691 3.971 -7.258 383 HG23 THR 50 HG23 THR 50 -4.948 3.428 -6.144 384 H ASP 51 H ASP 51 -4.050 4.467 -10.125 385 HA ASP 51 HA ASP 51 -1.150 4.589 -10.556 386 HB2 ASP 51 HB3 ASP 51 -2.807 5.306 -12.324 387 HB3 ASP 51 HB2 ASP 51 -3.386 6.565 -11.248 388 H PHE 52 H PHE 52 0.061 5.375 -8.918 389 HA PHE 52 HA PHE 52 -0.866 6.068 -6.403 390 HB2 PHE 52 HB3 PHE 52 1.415 5.243 -6.876 391 HB3 PHE 52 HB2 PHE 52 1.810 6.744 -7.699 392 HD1 PHE 52 HD1 PHE 52 2.515 8.699 -6.439 393 HD2 PHE 52 HD2 PHE 52 1.072 5.241 -4.382 394 HE1 PHE 52 HE1 PHE 52 3.339 9.616 -4.327 395 HE2 PHE 52 HE2 PHE 52 1.900 6.174 -2.269 396 HZ PHE 52 HZ PHE 52 3.036 8.356 -2.243 397 H PHE 53 H PHE 53 0.367 8.315 -8.897 398 HA PHE 53 HA PHE 53 0.109 10.650 -7.265 399 HB2 PHE 53 HB3 PHE 53 0.834 10.216 -10.180 400 HB3 PHE 53 HB2 PHE 53 0.625 11.840 -9.532 401 HD1 PHE 53 HD1 PHE 53 2.444 12.915 -8.473 402 HD2 PHE 53 HD2 PHE 53 2.578 8.675 -8.928 403 HE1 PHE 53 HE1 PHE 53 4.761 12.884 -7.663 404 HE2 PHE 53 HE2 PHE 53 4.881 8.660 -8.121 405 HZ PHE 53 HZ PHE 53 5.986 10.760 -7.488 406 H GLN 54 H GLN 54 -1.802 9.278 -9.938 407 HA GLN 54 HA GLN 54 -3.655 11.426 -10.203 408 HB2 GLN 54 HB3 GLN 54 -3.309 9.741 -11.964 409 HB3 GLN 54 HB2 GLN 54 -3.943 8.474 -10.920 410 HG2 GLN 54 HG3 GLN 54 -6.163 9.560 -10.948 411 HG3 GLN 54 HG2 GLN 54 -5.522 10.846 -11.970 412 HE21 GLN 54 HE21 GLN 54 -7.057 10.378 -13.574 413 HE22 GLN 54 HE22 GLN 54 -6.927 8.986 -14.591 414 H GLN 55 H GLN 55 -3.428 8.738 -8.000 415 HA GLN 55 HA GLN 55 -6.176 8.835 -7.056 416 HB2 GLN 55 HB3 GLN 55 -4.701 6.744 -7.292 417 HB3 GLN 55 HB2 GLN 55 -3.821 7.300 -5.878 418 HG2 GLN 55 HG3 GLN 55 -5.404 5.605 -5.217 419 HG3 GLN 55 HG2 GLN 55 -5.922 7.155 -4.555 420 HE21 GLN 55 HE21 GLN 55 -8.066 6.436 -4.325 421 HE22 GLN 55 HE22 GLN 55 -9.111 6.186 -5.677 422 H GLY 56 H GLY 56 -3.938 11.072 -6.639 423 HA2 GLY 56 HA3 GLY 56 -4.318 12.908 -5.174 424 HA3 GLY 56 HA2 GLY 56 -4.892 11.806 -3.928 425 H GLY 57 H GLY 57 -2.024 10.874 -5.640 426 HA2 GLY 57 HA3 GLY 57 -0.307 11.503 -3.325 427 HA3 GLY 57 HA2 GLY 57 0.064 10.406 -4.653 428 H ASP 58 H ASP 58 1.456 12.850 -3.493 429 HA ASP 58 HA ASP 58 2.147 14.068 -6.124 430 HB2 ASP 58 HB3 ASP 58 2.190 15.356 -3.354 431 HB3 ASP 58 HB2 ASP 58 2.967 16.070 -4.765 432 H SER 59 H SER 59 4.507 15.030 -5.921 433 HA SER 59 HA SER 59 6.264 12.817 -5.671 434 HB2 SER 59 HB3 SER 59 8.076 14.500 -6.153 435 HB3 SER 59 HB2 SER 59 6.727 14.581 -7.289 436 HG SER 59 HG SER 59 7.550 16.623 -6.391 437 H LEU 60 H LEU 60 5.396 15.363 -3.447 438 HA LEU 60 HA LEU 60 7.487 14.991 -1.551 439 HB2 LEU 60 HB3 LEU 60 5.962 17.037 -1.844 440 HB3 LEU 60 HB2 LEU 60 4.701 16.129 -1.044 441 HG LEU 60 HG LEU 60 5.958 17.844 0.379 442 HD11 LEU 60 HD11 LEU 60 4.595 16.110 1.428 443 HD12 LEU 60 HD12 LEU 60 5.996 16.534 2.406 444 HD13 LEU 60 HD13 LEU 60 5.994 15.032 1.479 445 HD21 LEU 60 HD21 LEU 60 8.227 17.404 -0.460 446 HD22 LEU 60 HD22 LEU 60 8.209 15.809 0.298 447 HD23 LEU 60 HD23 LEU 60 8.146 17.265 1.295 448 H LEU 61 H LEU 61 4.119 13.828 -1.791 449 HA LEU 61 HA LEU 61 4.139 12.116 0.468 450 HB2 LEU 61 HB3 LEU 61 2.150 13.046 -0.969 451 HB3 LEU 61 HB2 LEU 61 2.418 11.657 -1.995 452 HG LEU 61 HG LEU 61 1.832 11.378 0.979 453 HD11 LEU 61 HD11 LEU 61 -0.520 10.960 0.448 454 HD12 LEU 61 HD12 LEU 61 -0.225 11.377 -1.245 455 HD13 LEU 61 HD13 LEU 61 -0.042 12.600 0.016 456 HD21 LEU 61 HD21 LEU 61 2.768 9.377 -0.043 457 HD22 LEU 61 HD22 LEU 61 1.537 9.410 -1.304 458 HD23 LEU 61 HD23 LEU 61 1.080 9.111 0.373 459 H ALA 62 H ALA 62 5.228 11.747 -2.842 460 HA ALA 62 HA ALA 62 5.504 8.932 -2.945 461 HB1 ALA 62 HB1 ALA 62 6.961 11.058 -4.551 462 HB2 ALA 62 HB2 ALA 62 5.401 10.340 -4.962 463 HB3 ALA 62 HB3 ALA 62 6.855 9.342 -4.953 464 H THR 63 H THR 63 7.749 11.557 -2.104 465 HA THR 63 HA THR 63 10.059 10.063 -1.570 466 HB THR 63 HB THR 63 9.124 12.659 -0.249 467 HG1 THR 63 HG1 THR 63 9.363 13.285 -2.271 468 HG21 THR 63 HG21 THR 63 11.530 13.111 0.148 469 HG22 THR 63 HG22 THR 63 11.937 11.516 -0.489 470 HG23 THR 63 HG23 THR 63 11.009 11.658 1.007 471 H ARG 64 H ARG 64 7.325 10.993 0.527 472 HA ARG 64 HA ARG 64 8.189 9.878 2.960 473 HB2 ARG 64 HB3 ARG 64 5.352 10.298 1.912 474 HB3 ARG 64 HB2 ARG 64 5.736 9.885 3.582 475 HG2 ARG 64 HG3 ARG 64 6.965 12.024 3.820 476 HG3 ARG 64 HG2 ARG 64 6.557 12.443 2.151 477 HD2 ARG 64 HD3 ARG 64 4.165 12.434 2.714 478 HD3 ARG 64 HD2 ARG 64 4.535 11.928 4.367 479 HE ARG 64 HE ARG 64 5.917 14.307 3.885 480 HH11 ARG 64 HH11 ARG 64 2.555 13.299 4.128 481 HH12 ARG 64 HH12 ARG 64 2.010 14.848 4.686 482 HH21 ARG 64 HH21 ARG 64 5.177 16.327 4.612 483 HH22 ARG 64 HH22 ARG 64 3.491 16.559 4.958 484 H LEU 65 H LEU 65 6.150 8.524 0.371 485 HA LEU 65 HA LEU 65 5.324 6.159 1.620 486 HB2 LEU 65 HB3 LEU 65 4.267 7.228 -0.385 487 HB3 LEU 65 HB2 LEU 65 5.636 6.739 -1.359 488 HG LEU 65 HG LEU 65 3.476 5.365 -1.588 489 HD11 LEU 65 HD11 LEU 65 5.953 3.754 -0.944 490 HD12 LEU 65 HD12 LEU 65 5.590 4.521 -2.490 491 HD13 LEU 65 HD13 LEU 65 4.561 3.223 -1.894 492 HD21 LEU 65 HD21 LEU 65 2.909 5.236 0.792 493 HD22 LEU 65 HD22 LEU 65 4.324 4.217 1.084 494 HD23 LEU 65 HD23 LEU 65 3.009 3.639 0.057 495 H THR 66 H THR 66 7.983 6.773 -0.639 496 HA THR 66 HA THR 66 8.990 4.136 -0.741 497 HB THR 66 HB THR 66 11.047 5.224 -1.688 498 HG1 THR 66 HG1 THR 66 9.735 7.711 -1.624 499 HG21 THR 66 HG21 THR 66 9.928 6.150 -3.694 500 HG22 THR 66 HG22 THR 66 8.401 6.219 -2.819 501 HG23 THR 66 HG23 THR 66 9.152 4.658 -3.169 502 H GLY 67 H GLY 67 9.576 6.848 1.408 503 HA2 GLY 67 HA3 GLY 67 11.607 5.840 3.048 504 HA3 GLY 67 HA2 GLY 67 10.345 6.950 3.554 505 H GLN 68 H GLN 68 8.050 5.295 3.222 506 HA GLN 68 HA GLN 68 8.048 3.668 5.543 507 HB2 GLN 68 HB3 GLN 68 6.083 3.989 3.256 508 HB3 GLN 68 HB2 GLN 68 5.843 2.699 4.426 509 HG2 GLN 68 HG3 GLN 68 4.475 4.521 5.111 510 HG3 GLN 68 HG2 GLN 68 5.809 4.421 6.253 511 HE21 GLN 68 HE21 GLN 68 7.426 6.064 6.185 512 HE22 GLN 68 HE22 GLN 68 7.131 7.584 5.423 513 H LEU 69 H LEU 69 8.612 2.937 2.139 514 HA LEU 69 HA LEU 69 8.684 0.096 2.362 515 HB2 LEU 69 HB3 LEU 69 9.957 1.950 0.317 516 HB3 LEU 69 HB2 LEU 69 9.878 0.197 0.152 517 HG LEU 69 HG LEU 69 7.423 1.994 0.354 518 HD11 LEU 69 HD11 LEU 69 8.653 0.781 -2.129 519 HD12 LEU 69 HD12 LEU 69 8.649 2.493 -1.693 520 HD13 LEU 69 HD13 LEU 69 7.129 1.673 -2.037 521 HD21 LEU 69 HD21 LEU 69 6.181 0.021 -0.400 522 HD22 LEU 69 HD22 LEU 69 7.026 -0.312 1.109 523 HD23 LEU 69 HD23 LEU 69 7.667 -0.936 -0.415 524 H HIS 70 H HIS 70 11.106 2.640 2.800 525 HA HIS 70 HA HIS 70 13.453 1.044 2.935 526 HB2 HIS 70 HB3 HIS 70 12.878 3.702 4.309 527 HB3 HIS 70 HB2 HIS 70 14.471 2.974 4.152 528 HD1 HIS 70 HD1 HIS 70 13.668 5.783 3.046 529 HD2 HIS 70 HD2 HIS 70 13.873 2.293 0.842 530 HE1 HIS 70 HE1 HIS 70 14.053 6.515 0.684 531 HE2 HIS 70 HE2 HIS 70 14.428 4.379 -0.580 532 H GLN 71 H GLN 71 10.977 1.827 5.267 533 HA GLN 71 HA GLN 71 12.210 0.866 7.643 534 HB2 GLN 71 HB3 GLN 71 9.222 0.875 7.036 535 HB3 GLN 71 HB2 GLN 71 9.992 0.950 8.622 536 HG2 GLN 71 HG3 GLN 71 10.851 3.195 8.092 537 HG3 GLN 71 HG2 GLN 71 10.135 3.099 6.495 538 HE21 GLN 71 HE21 GLN 71 7.649 1.839 7.391 539 HE22 GLN 71 HE22 GLN 71 6.755 3.081 8.191 540 H ALA 72 H ALA 72 10.257 -0.616 5.102 541 HA ALA 72 HA ALA 72 10.157 -3.264 6.241 542 HB1 ALA 72 HB1 ALA 72 9.133 -3.890 4.085 543 HB2 ALA 72 HB2 ALA 72 9.542 -2.305 3.417 544 HB3 ALA 72 HB3 ALA 72 8.382 -2.433 4.742 545 H GLY 73 H GLY 73 12.714 -1.558 5.010 546 HA2 GLY 73 HA3 GLY 73 14.855 -2.203 4.513 547 HA3 GLY 73 HA2 GLY 73 14.372 -3.887 4.633 548 H TYR 74 H TYR 74 12.635 -1.740 2.542 549 HA TYR 74 HA TYR 74 13.979 -2.829 0.139 550 HB2 TYR 74 HB3 TYR 74 11.096 -1.916 0.552 551 HB3 TYR 74 HB2 TYR 74 11.788 -2.218 -1.040 552 HD1 TYR 74 HD1 TYR 74 12.581 -4.535 -1.646 553 HD2 TYR 74 HD2 TYR 74 10.378 -3.775 1.946 554 HE1 TYR 74 HE1 TYR 74 12.101 -6.938 -1.421 555 HE2 TYR 74 HE2 TYR 74 9.901 -6.173 2.164 556 HH TYR 74 HH TYR 74 9.798 -8.184 0.707 557 H GLU 75 H GLU 75 15.088 -1.413 -1.032 558 HA GLU 75 HA GLU 75 15.086 1.401 -0.383 559 HB2 GLU 75 HB3 GLU 75 17.117 -0.215 -1.041 560 HB3 GLU 75 HB2 GLU 75 16.682 0.234 -2.680 561 HG2 GLU 75 HG3 GLU 75 17.585 2.070 -0.443 562 HG3 GLU 75 HG2 GLU 75 18.496 1.639 -1.885 563 H ALA 76 H ALA 76 14.167 2.977 -1.595 564 HA ALA 76 HA ALA 76 13.102 2.612 -4.244 565 HB1 ALA 76 HB1 ALA 76 11.330 1.578 -2.878 566 HB2 ALA 76 HB2 ALA 76 10.762 3.071 -3.628 567 HB3 ALA 76 HB3 ALA 76 11.205 3.052 -1.917 568 H GLN 77 H GLN 77 12.562 4.610 -5.229 569 HA GLN 77 HA GLN 77 13.034 7.090 -3.669 570 HB2 GLN 77 HB3 GLN 77 13.946 6.541 -6.535 571 HB3 GLN 77 HB2 GLN 77 14.122 8.077 -5.686 572 HG2 GLN 77 HG3 GLN 77 15.480 5.463 -4.929 573 HG3 GLN 77 HG2 GLN 77 16.243 6.813 -5.775 574 HE21 GLN 77 HE21 GLN 77 16.888 5.545 -3.176 575 HE22 GLN 77 HE22 GLN 77 16.873 6.826 -2.017 576 H LEU 78 H LEU 78 11.796 8.902 -4.376 577 HA LEU 78 HA LEU 78 9.217 8.500 -5.407 578 HB2 LEU 78 HB3 LEU 78 8.962 10.887 -5.517 579 HB3 LEU 78 HB2 LEU 78 9.899 10.517 -4.083 580 HG LEU 78 HG LEU 78 11.173 11.507 -6.674 581 HD11 LEU 78 HD11 LEU 78 10.371 13.177 -4.279 582 HD12 LEU 78 HD12 LEU 78 9.598 13.201 -5.865 583 HD13 LEU 78 HD13 LEU 78 11.268 13.735 -5.696 584 HD21 LEU 78 HD21 LEU 78 12.731 10.355 -5.139 585 HD22 LEU 78 HD22 LEU 78 12.262 11.446 -3.833 586 HD23 LEU 78 HD23 LEU 78 13.102 12.076 -5.254 587 H SER 79 H SER 79 12.260 9.042 -6.989 588 HA SER 79 HA SER 79 11.654 9.634 -9.601 589 HB2 SER 79 HB3 SER 79 13.786 7.685 -8.629 590 HB3 SER 79 HB2 SER 79 13.817 8.600 -10.143 591 HG SER 79 HG SER 79 14.962 9.864 -8.856 592 H ASP 80 H ASP 80 11.638 6.457 -7.993 593 HA ASP 80 HA ASP 80 10.967 4.900 -10.285 594 HB2 ASP 80 HB3 ASP 80 10.555 4.224 -7.332 595 HB3 ASP 80 HB2 ASP 80 10.445 3.079 -8.667 596 H LEU 81 H LEU 81 9.037 6.455 -7.720 597 HA LEU 81 HA LEU 81 6.596 5.153 -8.296 598 HB2 LEU 81 HB3 LEU 81 7.431 7.432 -6.577 599 HB3 LEU 81 HB2 LEU 81 5.748 7.480 -7.067 600 HG LEU 81 HG LEU 81 7.048 5.124 -5.639 601 HD11 LEU 81 HD11 LEU 81 5.816 5.792 -3.661 602 HD12 LEU 81 HD12 LEU 81 5.186 7.211 -4.502 603 HD13 LEU 81 HD13 LEU 81 6.914 7.076 -4.166 604 HD21 LEU 81 HD21 LEU 81 5.169 4.447 -7.077 605 HD22 LEU 81 HD22 LEU 81 4.128 5.646 -6.300 606 HD23 LEU 81 HD23 LEU 81 4.758 4.283 -5.371 607 H PHE 82 H PHE 82 7.864 8.300 -9.529 608 HA PHE 82 HA PHE 82 5.409 8.779 -10.995 609 HB2 PHE 82 HB3 PHE 82 6.382 10.809 -11.846 610 HB3 PHE 82 HB2 PHE 82 6.705 10.691 -10.133 611 HD1 PHE 82 HD1 PHE 82 8.436 9.905 -13.416 612 HD2 PHE 82 HD2 PHE 82 8.817 11.401 -9.421 613 HE1 PHE 82 HE1 PHE 82 10.763 10.521 -13.869 614 HE2 PHE 82 HE2 PHE 82 11.158 12.000 -9.891 615 HZ PHE 82 HZ PHE 82 12.133 11.558 -12.110 616 H ASN 83 H ASN 83 8.349 7.105 -11.615 617 HA ASN 83 HA ASN 83 8.023 6.974 -14.510 618 HB2 ASN 83 HB3 ASN 83 10.286 7.026 -13.474 619 HB3 ASN 83 HB2 ASN 83 9.953 5.501 -12.660 620 HD21 ASN 83 HD21 ASN 83 11.720 4.503 -13.668 621 HD22 ASN 83 HD22 ASN 83 11.723 4.079 -15.343 622 H HIS 84 H HIS 84 7.012 5.213 -11.716 623 HA HIS 84 HA HIS 84 5.878 3.007 -13.325 624 HB2 HIS 84 HB3 HIS 84 7.325 2.655 -10.660 625 HB3 HIS 84 HB2 HIS 84 6.506 1.379 -11.564 626 HD1 HIS 84 HD1 HIS 84 7.532 0.999 -14.073 627 HD2 HIS 84 HD2 HIS 84 9.973 2.924 -11.327 628 HE1 HIS 84 HE1 HIS 84 9.818 0.975 -15.080 629 HE2 HIS 84 HE2 HIS 84 11.308 1.984 -13.316 630 HA PRO 85 HA PRO 85 2.724 5.290 -10.810 631 HB2 PRO 85 HB3 PRO 85 0.714 5.086 -12.718 632 HB3 PRO 85 HB2 PRO 85 1.941 6.367 -12.684 633 HG2 PRO 85 HG3 PRO 85 1.865 3.873 -14.337 634 HG3 PRO 85 HG2 PRO 85 2.326 5.527 -14.803 635 HD2 PRO 85 HD3 PRO 85 4.164 3.610 -14.276 636 HD3 PRO 85 HD2 PRO 85 4.458 5.326 -13.909 637 H ARG 86 H ARG 86 2.012 2.272 -12.629 638 HA ARG 86 HA ARG 86 -0.123 1.454 -10.910 639 HB2 ARG 86 HB3 ARG 86 1.322 0.299 -13.268 640 HB3 ARG 86 HB2 ARG 86 0.583 -0.878 -12.193 641 HG2 ARG 86 HG3 ARG 86 -0.882 -0.270 -14.074 642 HG3 ARG 86 HG2 ARG 86 -1.595 0.097 -12.510 643 HD2 ARG 86 HD3 ARG 86 -2.133 1.902 -13.977 644 HD3 ARG 86 HD2 ARG 86 -0.905 2.512 -12.860 645 HE ARG 86 HE ARG 86 0.458 1.553 -15.079 646 HH11 ARG 86 HH11 ARG 86 -1.893 4.115 -14.494 647 HH12 ARG 86 HH12 ARG 86 -1.324 5.089 -15.808 648 HH21 ARG 86 HH21 ARG 86 1.174 2.837 -16.790 649 HH22 ARG 86 HH22 ARG 86 0.412 4.364 -17.110 650 H LEU 87 H LEU 87 -0.165 -0.090 -9.330 651 HA LEU 87 HA LEU 87 1.956 -0.238 -7.494 652 HB2 LEU 87 HB3 LEU 87 -0.360 -0.433 -6.826 653 HB3 LEU 87 HB2 LEU 87 -0.574 -1.864 -7.808 654 HG LEU 87 HG LEU 87 1.128 -3.023 -6.224 655 HD11 LEU 87 HD11 LEU 87 2.046 -1.024 -5.173 656 HD12 LEU 87 HD12 LEU 87 1.334 -2.096 -3.970 657 HD13 LEU 87 HD13 LEU 87 0.468 -0.641 -4.475 658 HD21 LEU 87 HD21 LEU 87 -0.608 -3.584 -4.590 659 HD22 LEU 87 HD22 LEU 87 -1.268 -3.542 -6.224 660 HD23 LEU 87 HD23 LEU 87 -1.575 -2.201 -5.117 661 H ALA 88 H ALA 88 0.756 -2.671 -9.818 662 HA ALA 88 HA ALA 88 2.431 -4.820 -9.088 663 HB1 ALA 88 HB1 ALA 88 0.402 -5.093 -10.461 664 HB2 ALA 88 HB2 ALA 88 1.805 -5.791 -11.270 665 HB3 ALA 88 HB3 ALA 88 1.170 -4.227 -11.794 666 H ASP 89 H ASP 89 2.845 -2.135 -11.289 667 HA ASP 89 HA ASP 89 5.236 -3.065 -12.591 668 HB2 ASP 89 HB3 ASP 89 3.559 -1.719 -13.775 669 HB3 ASP 89 HB2 ASP 89 3.767 -0.400 -12.627 670 H PHE 90 H PHE 90 4.467 -0.827 -9.976 671 HA PHE 90 HA PHE 90 7.093 0.303 -9.693 672 HB2 PHE 90 HB3 PHE 90 5.186 1.624 -8.982 673 HB3 PHE 90 HB2 PHE 90 4.628 0.351 -7.902 674 HD1 PHE 90 HD1 PHE 90 5.016 0.714 -5.615 675 HD2 PHE 90 HD2 PHE 90 7.772 2.380 -8.451 676 HE1 PHE 90 HE1 PHE 90 6.315 1.707 -3.787 677 HE2 PHE 90 HE2 PHE 90 9.057 3.364 -6.598 678 HZ PHE 90 HZ PHE 90 8.334 3.027 -4.273 679 H ALA 91 H ALA 91 5.240 -2.207 -8.002 680 HA ALA 91 HA ALA 91 7.086 -2.800 -5.962 681 HB1 ALA 91 HB1 ALA 91 5.799 -4.878 -5.670 682 HB2 ALA 91 HB2 ALA 91 4.987 -4.602 -7.214 683 HB3 ALA 91 HB3 ALA 91 4.734 -3.486 -5.869 684 H ALA 92 H ALA 92 6.866 -3.836 -9.310 685 HA ALA 92 HA ALA 92 8.709 -5.987 -9.262 686 HB1 ALA 92 HB1 ALA 92 8.785 -5.687 -11.711 687 HB2 ALA 92 HB2 ALA 92 7.955 -4.134 -11.551 688 HB3 ALA 92 HB3 ALA 92 7.127 -5.628 -11.105 689 H THR 93 H THR 93 9.102 -2.484 -9.767 690 HA THR 93 HA THR 93 11.983 -2.688 -10.184 691 HB THR 93 HB THR 93 11.789 -0.106 -10.260 692 HG1 THR 93 HG1 THR 93 9.663 -0.154 -9.179 693 HG21 THR 93 HG21 THR 93 10.910 -0.123 -12.547 694 HG22 THR 93 HG22 THR 93 10.214 -1.722 -12.295 695 HG23 THR 93 HG23 THR 93 11.968 -1.511 -12.288 696 H LEU 94 H LEU 94 10.249 -2.956 -7.440 697 HA LEU 94 HA LEU 94 11.918 -1.392 -5.706 698 HB2 LEU 94 HB3 LEU 94 10.037 -3.706 -5.135 699 HB3 LEU 94 HB2 LEU 94 11.000 -2.935 -3.878 700 HG LEU 94 HG LEU 94 8.771 -1.669 -5.517 701 HD11 LEU 94 HD11 LEU 94 7.998 -3.046 -3.671 702 HD12 LEU 94 HD12 LEU 94 7.701 -1.340 -3.344 703 HD13 LEU 94 HD13 LEU 94 9.041 -2.169 -2.545 704 HD21 LEU 94 HD21 LEU 94 10.546 -0.005 -5.283 705 HD22 LEU 94 HD22 LEU 94 10.630 -0.299 -3.544 706 HD23 LEU 94 HD23 LEU 94 9.178 0.410 -4.256 707 H ARG 95 H ARG 95 13.326 -2.261 -4.179 708 HA ARG 95 HA ARG 95 14.914 -4.649 -4.820 709 HB2 ARG 95 HB3 ARG 95 16.989 -3.220 -4.967 710 HB3 ARG 95 HB2 ARG 95 15.864 -2.903 -6.289 711 HG2 ARG 95 HG3 ARG 95 14.977 -0.982 -4.690 712 HG3 ARG 95 HG2 ARG 95 16.553 -1.160 -3.922 713 HD2 ARG 95 HD3 ARG 95 17.674 -0.544 -5.977 714 HD3 ARG 95 HD2 ARG 95 16.151 -0.595 -6.876 715 HE ARG 95 HE ARG 95 16.933 1.431 -4.870 716 HH11 ARG 95 HH11 ARG 95 14.731 0.443 -7.438 717 HH12 ARG 95 HH12 ARG 95 13.973 1.997 -7.536 718 HH21 ARG 95 HH21 ARG 95 15.895 3.439 -4.988 719 HH22 ARG 95 HH22 ARG 95 14.628 3.696 -6.151 720 H LYS 96 H LYS 96 16.573 -4.914 -2.945 721 HA LYS 96 HA LYS 96 15.346 -3.941 -0.451 722 HB2 LYS 96 HB3 LYS 96 17.482 -6.043 -0.939 723 HB3 LYS 96 HB2 LYS 96 16.961 -5.534 0.670 724 HG2 LYS 96 HG3 LYS 96 14.599 -6.192 -0.004 725 HG3 LYS 96 HG2 LYS 96 15.295 -6.917 -1.460 726 HD2 LYS 96 HD3 LYS 96 16.661 -8.431 -0.048 727 HD3 LYS 96 HD2 LYS 96 15.987 -7.693 1.410 728 HE2 LYS 96 HE3 LYS 96 13.719 -8.460 0.694 729 HE3 LYS 96 HE2 LYS 96 14.459 -9.273 -0.688 730 HZ1 LYS 96 HZ1 LYS 96 14.045 -10.765 1.174 731 HZ2 LYS 96 HZ2 LYS 96 15.069 -9.848 2.156 732 HZ3 LYS 96 HZ3 LYS 96 15.689 -10.662 0.816 733 H THR 97 H THR 97 16.566 -3.029 1.236 734 HA THR 97 HA THR 97 18.636 -1.146 0.399 735 HB THR 97 HB THR 97 17.245 -1.467 3.113 736 HG1 THR 97 HG1 THR 97 16.001 -0.809 1.104 737 HG21 THR 97 HG21 THR 97 18.873 0.857 2.013 738 HG22 THR 97 HG22 THR 97 19.402 -0.254 3.280 739 HG23 THR 97 HG23 THR 97 18.036 0.827 3.563 740 H ASP 98 H ASP 98 20.787 -1.394 0.981 741 HA ASP 98 HA ASP 98 21.769 -3.855 2.009 742 HB2 ASP 98 HB3 ASP 98 23.110 -2.387 0.489 743 HB3 ASP 98 HB2 ASP 98 23.224 -1.176 1.761 744 H VAL 99 H VAL 99 21.394 -4.451 4.066 745 HA VAL 99 HA VAL 99 21.167 -2.564 6.250 746 HB VAL 99 HB VAL 99 20.830 -4.589 7.698 747 HG11 VAL 99 HG11 VAL 99 18.890 -3.517 6.623 748 HG12 VAL 99 HG12 VAL 99 18.645 -5.261 6.738 749 HG13 VAL 99 HG13 VAL 99 19.093 -4.535 5.192 750 HG21 VAL 99 HG21 VAL 99 20.602 -6.839 6.671 751 HG22 VAL 99 HG22 VAL 99 22.247 -6.222 6.502 752 HG23 VAL 99 HG23 VAL 99 21.149 -6.191 5.120 753 HA PRO 100 HA PRO 100 25.585 -2.892 7.323 754 HB2 PRO 100 HB3 PRO 100 25.637 -1.227 9.450 755 HB3 PRO 100 HB2 PRO 100 25.295 -0.593 7.822 756 HG2 PRO 100 HG3 PRO 100 23.350 -1.242 10.033 757 HG3 PRO 100 HG2 PRO 100 23.408 0.189 8.974 758 HD2 PRO 100 HD3 PRO 100 21.746 -1.979 8.517 759 HD3 PRO 100 HD2 PRO 100 22.315 -0.884 7.240 760 H VAL 101 H VAL 101 22.969 -4.152 9.008 761 HA VAL 101 HA VAL 101 24.569 -5.344 11.197 762 HB VAL 101 HB VAL 101 22.448 -5.632 12.431 763 HG11 VAL 101 HG11 VAL 101 21.952 -3.257 12.919 764 HG12 VAL 101 HG12 VAL 101 22.802 -2.775 11.448 765 HG13 VAL 101 HG13 VAL 101 23.688 -3.543 12.769 766 HG21 VAL 101 HG21 VAL 101 20.877 -5.935 10.553 767 HG22 VAL 101 HG22 VAL 101 21.080 -4.246 10.080 768 HG23 VAL 101 HG23 VAL 101 20.308 -4.646 11.619 769 H GLU 102 H GLU 102 24.127 -7.541 11.723 770 HA GLU 102 HA GLU 102 22.803 -9.214 9.658 771 HB2 GLU 102 HB3 GLU 102 25.240 -9.941 11.358 772 HB3 GLU 102 HB2 GLU 102 24.422 -11.019 10.225 773 HG2 GLU 102 HG3 GLU 102 25.083 -9.578 8.349 774 HG3 GLU 102 HG2 GLU 102 25.852 -8.448 9.466 775 H GLN 103 H GLN 103 21.110 -10.292 10.475 776 HA GLN 103 HA GLN 103 20.976 -10.974 13.356 777 HB2 GLN 103 HB3 GLN 103 18.718 -9.885 11.612 778 HB3 GLN 103 HB2 GLN 103 18.488 -10.553 13.229 779 HG2 GLN 103 HG3 GLN 103 19.850 -8.789 14.206 780 HG3 GLN 103 HG2 GLN 103 20.244 -8.158 12.609 781 HE21 GLN 103 HE21 GLN 103 19.428 -6.112 13.183 782 HE22 GLN 103 HE22 GLN 103 17.733 -5.804 13.299 783 HA PRO 104 HA PRO 104 20.690 -15.032 11.261 784 HB2 PRO 104 HB3 PRO 104 20.489 -16.521 13.627 785 HB3 PRO 104 HB2 PRO 104 22.021 -15.998 12.899 786 HG2 PRO 104 HG3 PRO 104 20.478 -14.732 15.145 787 HG3 PRO 104 HG2 PRO 104 22.232 -14.989 14.993 788 HD2 PRO 104 HD3 PRO 104 21.149 -12.570 14.521 789 HD3 PRO 104 HD2 PRO 104 22.513 -13.161 13.545 790 H PHE 105 H PHE 105 18.743 -14.913 10.276 791 HA PHE 105 HA PHE 105 16.253 -14.384 11.454 792 HB2 PHE 105 HB3 PHE 105 16.765 -15.818 8.815 793 HB3 PHE 105 HB2 PHE 105 15.282 -14.993 9.274 794 HD1 PHE 105 HD1 PHE 105 18.236 -14.667 7.375 795 HD2 PHE 105 HD2 PHE 105 15.657 -12.392 9.928 796 HE1 PHE 105 HE1 PHE 105 19.057 -12.587 6.363 797 HE2 PHE 105 HE2 PHE 105 16.492 -10.314 8.907 798 HZ PHE 105 HZ PHE 105 18.190 -10.413 7.122 799 H VAL 106 H VAL 106 17.533 -17.429 10.168 800 HA VAL 106 HA VAL 106 16.958 -19.606 10.338 801 HB VAL 106 HB VAL 106 17.047 -19.010 13.321 802 HG11 VAL 106 HG11 VAL 106 16.345 -21.319 12.823 803 HG12 VAL 106 HG12 VAL 106 17.962 -21.309 13.530 804 HG13 VAL 106 HG13 VAL 106 17.762 -21.545 11.791 805 HG21 VAL 106 HG21 VAL 106 19.501 -19.362 13.178 806 HG22 VAL 106 HG22 VAL 106 18.989 -17.959 12.236 807 HG23 VAL 106 HG23 VAL 106 19.379 -19.477 11.419 808 H HIS 107 H HIS 107 14.863 -19.622 9.437 809 HA HIS 107 HA HIS 107 12.603 -19.835 11.347 810 HB2 HIS 107 HB3 HIS 107 12.689 -19.036 8.412 811 HB3 HIS 107 HB2 HIS 107 11.190 -19.505 9.205 812 HD1 HIS 107 HD1 HIS 107 9.983 -17.738 10.495 813 HD2 HIS 107 HD2 HIS 107 13.888 -16.619 9.590 814 HE1 HIS 107 HE1 HIS 107 10.189 -15.343 11.202 815 HE2 HIS 107 HE2 HIS 107 12.572 -14.718 10.738 816 H SER 108 H SER 108 11.335 -21.630 11.353 817 HA SER 108 HA SER 108 12.039 -23.934 9.680 818 HB2 SER 108 HB3 SER 108 12.370 -25.342 11.708 819 HB3 SER 108 HB2 SER 108 13.554 -24.040 11.620 820 HG SER 108 HG SER 108 11.754 -24.570 13.554 821 HA PRO 109 HA PRO 109 7.582 -24.695 10.057 822 HB2 PRO 109 HB3 PRO 109 8.250 -27.555 9.448 823 HB3 PRO 109 HB2 PRO 109 7.199 -26.431 8.559 824 HG2 PRO 109 HG3 PRO 109 9.568 -27.115 7.552 825 HG3 PRO 109 HG2 PRO 109 8.975 -25.442 7.413 826 HD2 PRO 109 HD3 PRO 109 10.972 -26.562 9.393 827 HD3 PRO 109 HD2 PRO 109 11.066 -25.075 8.419 828 H GLU 110 H GLU 110 9.572 -27.418 11.306 829 HA GLU 110 HA GLU 110 7.905 -27.528 13.760 830 HB2 GLU 110 HB3 GLU 110 9.607 -29.720 12.492 831 HB3 GLU 110 HB2 GLU 110 8.671 -29.885 13.973 832 HG2 GLU 110 HG3 GLU 110 7.478 -29.328 11.235 833 HG3 GLU 110 HG2 GLU 110 7.620 -30.927 11.964 834 H ASP 111 H ASP 111 11.133 -28.942 13.226 835 HA ASP 111 HA ASP 111 12.942 -29.088 14.554 836 HB2 ASP 111 HB3 ASP 111 12.645 -26.107 14.110 837 HB3 ASP 111 HB2 ASP 111 14.024 -26.751 14.999 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 7.979 -12.428 -22.402 2 H2 GLY 1 H2 GLY 1 6.355 -12.397 -22.849 3 H3 GLY 1 H3 GLY 1 7.504 -11.582 -23.786 4 HA2 GLY 1 HA2 GLY 1 8.544 -13.663 -24.402 5 HA3 GLY 1 HA3 GLY 1 7.382 -14.527 -23.404 6 H THR 2 H THR 2 5.533 -15.205 -24.393 7 HA THR 2 HA THR 2 4.398 -13.709 -26.649 8 HB THR 2 HB THR 2 4.925 -16.719 -26.830 9 HG1 THR 2 HG1 THR 2 6.259 -14.470 -27.908 10 HG21 THR 2 HG21 THR 2 2.864 -16.021 -28.022 11 HG22 THR 2 HG22 THR 2 4.127 -16.505 -29.154 12 HG23 THR 2 HG23 THR 2 3.789 -14.793 -28.898 13 H ILE 3 H ILE 3 2.708 -13.116 -25.316 14 HA ILE 3 HA ILE 3 0.484 -14.908 -25.229 15 HB ILE 3 HB ILE 3 1.536 -15.654 -23.100 16 HG12 ILE 3 HG13 ILE 3 -0.398 -15.204 -21.515 17 HG13 ILE 3 HG12 ILE 3 -1.009 -14.019 -22.666 18 HG21 ILE 3 HG21 ILE 3 2.824 -13.652 -22.524 19 HG22 ILE 3 HG22 ILE 3 1.826 -14.166 -21.161 20 HG23 ILE 3 HG23 ILE 3 1.335 -12.783 -22.145 21 HD11 ILE 3 HD11 ILE 3 -0.650 -16.966 -23.212 22 HD12 ILE 3 HD12 ILE 3 -1.323 -15.772 -24.325 23 HD13 ILE 3 HD13 ILE 3 -2.171 -16.158 -22.830 24 H ASP 4 H ASP 4 -1.361 -13.696 -25.460 25 HA ASP 4 HA ASP 4 -1.142 -10.843 -25.745 26 HB2 ASP 4 HB3 ASP 4 -3.584 -12.672 -25.907 27 HB3 ASP 4 HB2 ASP 4 -3.646 -10.938 -26.200 28 H TYR 5 H TYR 5 -0.411 -10.366 -23.602 29 HA TYR 5 HA TYR 5 -2.353 -10.257 -21.430 30 HB2 TYR 5 HB3 TYR 5 0.060 -10.592 -20.942 31 HB3 TYR 5 HB2 TYR 5 0.450 -9.059 -21.710 32 HD1 TYR 5 HD1 TYR 5 -1.337 -10.582 -18.792 33 HD2 TYR 5 HD2 TYR 5 0.346 -7.003 -20.434 34 HE1 TYR 5 HE1 TYR 5 -1.625 -9.449 -16.632 35 HE2 TYR 5 HE2 TYR 5 0.050 -5.874 -18.271 36 HH TYR 5 HH TYR 5 -1.354 -6.090 -16.259 37 H GLN 6 H GLN 6 -1.413 -8.440 -24.166 38 HA GLN 6 HA GLN 6 -1.771 -5.771 -23.529 39 HB2 GLN 6 HB3 GLN 6 -0.778 -6.555 -25.637 40 HB3 GLN 6 HB2 GLN 6 -2.321 -7.240 -26.139 41 HG2 GLN 6 HG3 GLN 6 -3.276 -4.924 -26.209 42 HG3 GLN 6 HG2 GLN 6 -1.681 -4.294 -25.795 43 HE21 GLN 6 HE21 GLN 6 -3.578 -5.876 -28.272 44 HE22 GLN 6 HE22 GLN 6 -2.494 -5.561 -29.579 45 H ALA 7 H ALA 7 -4.198 -8.216 -24.292 46 HA ALA 7 HA ALA 7 -6.370 -6.459 -24.847 47 HB1 ALA 7 HB1 ALA 7 -7.760 -8.474 -24.823 48 HB2 ALA 7 HB2 ALA 7 -6.434 -9.401 -24.113 49 HB3 ALA 7 HB3 ALA 7 -6.276 -8.738 -25.739 50 H LEU 8 H LEU 8 -4.999 -7.461 -21.832 51 HA LEU 8 HA LEU 8 -7.335 -6.920 -20.223 52 HB2 LEU 8 HB3 LEU 8 -4.387 -7.053 -19.463 53 HB3 LEU 8 HB2 LEU 8 -5.688 -6.819 -18.302 54 HG LEU 8 HG LEU 8 -5.189 -9.299 -19.999 55 HD11 LEU 8 HD11 LEU 8 -5.115 -8.907 -16.997 56 HD12 LEU 8 HD12 LEU 8 -3.722 -9.123 -18.060 57 HD13 LEU 8 HD13 LEU 8 -4.878 -10.435 -17.851 58 HD21 LEU 8 HD21 LEU 8 -7.508 -8.760 -18.116 59 HD22 LEU 8 HD22 LEU 8 -7.142 -10.309 -18.881 60 HD23 LEU 8 HD23 LEU 8 -7.600 -8.928 -19.873 61 H LYS 9 H LYS 9 -6.737 -5.161 -18.337 62 HA LYS 9 HA LYS 9 -6.676 -3.011 -17.694 63 HB2 LYS 9 HB3 LYS 9 -4.474 -2.894 -18.931 64 HB3 LYS 9 HB2 LYS 9 -5.342 -2.303 -20.341 65 HG2 LYS 9 HG3 LYS 9 -6.015 -0.299 -19.140 66 HG3 LYS 9 HG2 LYS 9 -5.292 -0.911 -17.651 67 HD2 LYS 9 HD3 LYS 9 -3.048 -0.851 -18.769 68 HD3 LYS 9 HD2 LYS 9 -3.813 -0.128 -20.193 69 HE2 LYS 9 HE3 LYS 9 -2.761 1.568 -18.701 70 HE3 LYS 9 HE2 LYS 9 -4.500 1.813 -18.884 71 HZ1 LYS 9 HZ1 LYS 9 -3.742 2.050 -16.581 72 HZ2 LYS 9 HZ2 LYS 9 -3.215 0.444 -16.580 73 HZ3 LYS 9 HZ3 LYS 9 -4.862 0.791 -16.743 74 H ARG 10 H ARG 10 -8.653 -4.253 -19.866 75 HA ARG 10 HA ARG 10 -10.165 -1.853 -20.575 76 HB2 ARG 10 HB3 ARG 10 -10.593 -4.808 -21.089 77 HB3 ARG 10 HB2 ARG 10 -11.949 -3.699 -21.247 78 HG2 ARG 10 HG3 ARG 10 -10.946 -4.110 -23.423 79 HG3 ARG 10 HG2 ARG 10 -10.725 -2.424 -22.964 80 HD2 ARG 10 HD3 ARG 10 -8.383 -2.947 -22.299 81 HD3 ARG 10 HD2 ARG 10 -8.626 -4.613 -22.836 82 HE ARG 10 HE ARG 10 -9.270 -2.946 -24.977 83 HH11 ARG 10 HH11 ARG 10 -6.422 -3.706 -23.065 84 HH12 ARG 10 HH12 ARG 10 -5.316 -3.384 -24.359 85 HH21 ARG 10 HH21 ARG 10 -7.794 -2.533 -26.680 86 HH22 ARG 10 HH22 ARG 10 -6.095 -2.718 -26.407 87 H ARG 11 H ARG 11 -10.961 -0.865 -18.866 88 HA ARG 11 HA ARG 11 -11.835 -2.007 -16.443 89 HB2 ARG 11 HB3 ARG 11 -12.418 0.718 -17.688 90 HB3 ARG 11 HB2 ARG 11 -13.038 0.247 -16.110 91 HG2 ARG 11 HG3 ARG 11 -11.095 1.578 -15.744 92 HG3 ARG 11 HG2 ARG 11 -10.679 -0.083 -15.332 93 HD2 ARG 11 HD3 ARG 11 -9.539 -0.316 -17.533 94 HD3 ARG 11 HD2 ARG 11 -9.925 1.373 -17.897 95 HE ARG 11 HE ARG 11 -8.296 0.627 -15.537 96 HH11 ARG 11 HH11 ARG 11 -8.561 2.406 -18.564 97 HH12 ARG 11 HH12 ARG 11 -7.101 3.300 -18.293 98 HH21 ARG 11 HH21 ARG 11 -6.455 1.804 -15.186 99 HH22 ARG 11 HH22 ARG 11 -5.905 2.955 -16.361 100 H HIS 12 H HIS 12 -13.521 -3.306 -16.222 101 HA HIS 12 HA HIS 12 -15.617 -3.650 -18.099 102 HB2 HIS 12 HB3 HIS 12 -15.383 -4.550 -15.195 103 HB3 HIS 12 HB2 HIS 12 -16.656 -5.081 -16.291 104 HD1 HIS 12 HD1 HIS 12 -14.129 -6.707 -14.880 105 HD2 HIS 12 HD2 HIS 12 -14.772 -5.827 -18.896 106 HE1 HIS 12 HE1 HIS 12 -12.831 -8.428 -16.170 107 HE2 HIS 12 HE2 HIS 12 -13.310 -7.925 -18.586 108 H THR 13 H THR 13 -17.970 -3.499 -17.444 109 HA THR 13 HA THR 13 -18.705 -0.823 -17.389 110 HB THR 13 HB THR 13 -20.103 -2.613 -18.373 111 HG1 THR 13 HG1 THR 13 -22.084 -1.735 -17.739 112 HG21 THR 13 HG21 THR 13 -19.855 -4.356 -16.637 113 HG22 THR 13 HG22 THR 13 -21.559 -4.030 -16.963 114 HG23 THR 13 HG23 THR 13 -20.798 -3.375 -15.513 115 HA PRO 14 HA PRO 14 -18.550 0.270 -13.059 116 HB2 PRO 14 HB3 PRO 14 -20.125 2.506 -13.011 117 HB3 PRO 14 HB2 PRO 14 -18.548 2.480 -13.831 118 HG2 PRO 14 HG3 PRO 14 -21.292 2.140 -15.034 119 HG3 PRO 14 HG2 PRO 14 -19.945 3.163 -15.589 120 HD2 PRO 14 HD3 PRO 14 -20.442 0.743 -16.697 121 HD3 PRO 14 HD2 PRO 14 -18.787 1.373 -16.533 122 H GLU 15 H GLU 15 -21.229 -1.181 -14.359 123 HA GLU 15 HA GLU 15 -23.191 -0.983 -12.304 124 HB2 GLU 15 HB3 GLU 15 -22.649 -3.272 -14.264 125 HB3 GLU 15 HB2 GLU 15 -24.144 -3.027 -13.361 126 HG2 GLU 15 HG3 GLU 15 -24.602 -0.967 -14.607 127 HG3 GLU 15 HG2 GLU 15 -23.053 -1.099 -15.445 128 H ALA 16 H ALA 16 -23.657 -2.445 -10.627 129 HA ALA 16 HA ALA 16 -23.316 -3.748 -8.802 130 HB1 ALA 16 HB1 ALA 16 -21.229 -5.152 -10.515 131 HB2 ALA 16 HB2 ALA 16 -22.944 -5.561 -10.443 132 HB3 ALA 16 HB3 ALA 16 -21.924 -5.784 -9.017 133 H GLU 17 H GLU 17 -21.007 -4.764 -7.581 134 HA GLU 17 HA GLU 17 -19.748 -2.453 -6.491 135 HB2 GLU 17 HB3 GLU 17 -20.072 -4.560 -5.213 136 HB3 GLU 17 HB2 GLU 17 -18.945 -5.387 -6.277 137 HG2 GLU 17 HG3 GLU 17 -17.928 -4.802 -4.093 138 HG3 GLU 17 HG2 GLU 17 -17.090 -4.052 -5.452 139 H ASN 18 H ASN 18 -17.559 -1.796 -6.664 140 HA ASN 18 HA ASN 18 -16.601 -1.382 -9.233 141 HB2 ASN 18 HB3 ASN 18 -15.115 -1.165 -6.575 142 HB3 ASN 18 HB2 ASN 18 -14.488 -0.551 -8.100 143 HD21 ASN 18 HD21 ASN 18 -16.816 -0.047 -5.555 144 HD22 ASN 18 HD22 ASN 18 -17.314 1.524 -6.058 145 HA PRO 19 HA PRO 19 -14.347 -5.144 -10.310 146 HB2 PRO 19 HB3 PRO 19 -12.787 -3.431 -12.212 147 HB3 PRO 19 HB2 PRO 19 -13.847 -4.818 -12.546 148 HG2 PRO 19 HG3 PRO 19 -14.648 -2.348 -13.171 149 HG3 PRO 19 HG2 PRO 19 -15.799 -3.533 -12.506 150 HD2 PRO 19 HD3 PRO 19 -14.379 -1.284 -11.062 151 HD3 PRO 19 HD2 PRO 19 -16.099 -1.748 -11.009 152 H ALA 20 H ALA 20 -13.008 -2.647 -8.624 153 HA ALA 20 HA ALA 20 -10.283 -2.932 -8.474 154 HB1 ALA 20 HB1 ALA 20 -11.578 -1.228 -7.257 155 HB2 ALA 20 HB2 ALA 20 -10.496 -2.096 -6.164 156 HB3 ALA 20 HB3 ALA 20 -12.220 -2.472 -6.180 157 H GLU 21 H GLU 21 -12.777 -5.001 -7.049 158 HA GLU 21 HA GLU 21 -11.274 -6.622 -5.351 159 HB2 GLU 21 HB3 GLU 21 -13.687 -7.420 -7.034 160 HB3 GLU 21 HB2 GLU 21 -13.113 -8.261 -5.592 161 HG2 GLU 21 HG3 GLU 21 -13.638 -6.299 -4.207 162 HG3 GLU 21 HG2 GLU 21 -14.152 -5.408 -5.644 163 H ALA 22 H ALA 22 -11.871 -6.958 -8.843 164 HA ALA 22 HA ALA 22 -10.487 -9.465 -9.153 165 HB1 ALA 22 HB1 ALA 22 -10.851 -9.087 -11.570 166 HB2 ALA 22 HB2 ALA 22 -11.402 -7.441 -11.232 167 HB3 ALA 22 HB3 ALA 22 -12.325 -8.823 -10.639 168 H ASP 23 H ASP 23 -9.603 -6.128 -9.232 169 HA ASP 23 HA ASP 23 -7.027 -6.583 -10.582 170 HB2 ASP 23 HB3 ASP 23 -8.656 -4.699 -11.214 171 HB3 ASP 23 HB2 ASP 23 -8.297 -3.956 -9.658 172 H LEU 24 H LEU 24 -7.998 -7.162 -7.618 173 HA LEU 24 HA LEU 24 -6.544 -5.690 -5.746 174 HB2 LEU 24 HB3 LEU 24 -8.363 -7.392 -5.309 175 HB3 LEU 24 HB2 LEU 24 -7.200 -8.663 -5.641 176 HG LEU 24 HG LEU 24 -5.838 -7.780 -3.652 177 HD11 LEU 24 HD11 LEU 24 -7.010 -6.408 -1.979 178 HD12 LEU 24 HD12 LEU 24 -8.366 -6.204 -3.091 179 HD13 LEU 24 HD13 LEU 24 -6.782 -5.539 -3.496 180 HD21 LEU 24 HD21 LEU 24 -7.200 -9.815 -3.483 181 HD22 LEU 24 HD22 LEU 24 -8.614 -8.850 -3.048 182 HD23 LEU 24 HD23 LEU 24 -7.219 -8.913 -1.966 183 HA PRO 25 HA PRO 25 -2.243 -6.831 -6.688 184 HB2 PRO 25 HB3 PRO 25 -1.672 -6.086 -3.834 185 HB3 PRO 25 HB2 PRO 25 -0.973 -5.435 -5.333 186 HG2 PRO 25 HG3 PRO 25 -2.710 -3.986 -3.940 187 HG3 PRO 25 HG2 PRO 25 -2.762 -3.993 -5.716 188 HD2 PRO 25 HD3 PRO 25 -4.520 -5.502 -3.777 189 HD3 PRO 25 HD2 PRO 25 -4.978 -4.584 -5.232 190 H GLN 26 H GLN 26 -0.712 -8.444 -6.217 191 HA GLN 26 HA GLN 26 -1.290 -10.492 -4.242 192 HB2 GLN 26 HB3 GLN 26 -1.406 -12.283 -6.059 193 HB3 GLN 26 HB2 GLN 26 -2.813 -11.236 -5.909 194 HG2 GLN 26 HG3 GLN 26 -1.947 -9.889 -7.861 195 HG3 GLN 26 HG2 GLN 26 -0.669 -11.087 -8.061 196 HE21 GLN 26 HE21 GLN 26 -4.089 -10.461 -8.318 197 HE22 GLN 26 HE22 GLN 26 -4.468 -11.831 -9.301 198 H GLY 27 H GLY 27 0.618 -10.688 -3.353 199 HA2 GLY 27 HA3 GLY 27 2.930 -11.747 -3.982 200 HA3 GLY 27 HA2 GLY 27 3.119 -10.208 -4.832 201 H ASP 28 H ASP 28 4.642 -11.197 -2.506 202 HA ASP 28 HA ASP 28 3.742 -10.267 -0.033 203 HB2 ASP 28 HB3 ASP 28 5.629 -11.815 -0.200 204 HB3 ASP 28 HB2 ASP 28 6.604 -10.611 -1.039 205 H ILE 29 H ILE 29 5.915 -8.626 -2.344 206 HA ILE 29 HA ILE 29 6.066 -6.208 -0.840 207 HB ILE 29 HB ILE 29 6.876 -6.867 -3.702 208 HG12 ILE 29 HG13 ILE 29 9.188 -6.410 -2.912 209 HG13 ILE 29 HG12 ILE 29 8.580 -5.983 -1.321 210 HG21 ILE 29 HG21 ILE 29 7.878 -4.603 -3.887 211 HG22 ILE 29 HG22 ILE 29 7.138 -4.163 -2.344 212 HG23 ILE 29 HG23 ILE 29 6.121 -4.536 -3.737 213 HD11 ILE 29 HD11 ILE 29 8.555 -8.707 -2.579 214 HD12 ILE 29 HD12 ILE 29 7.887 -8.307 -0.993 215 HD13 ILE 29 HD13 ILE 29 9.617 -8.130 -1.295 216 H GLU 30 H GLU 30 4.095 -7.242 -3.674 217 HA GLU 30 HA GLU 30 2.988 -4.755 -4.326 218 HB2 GLU 30 HB3 GLU 30 1.795 -7.523 -4.776 219 HB3 GLU 30 HB2 GLU 30 1.147 -6.049 -5.482 220 HG2 GLU 30 HG3 GLU 30 2.401 -6.772 -7.251 221 HG3 GLU 30 HG2 GLU 30 3.618 -5.798 -6.438 222 H LYS 31 H LYS 31 1.730 -7.209 -2.057 223 HA LYS 31 HA LYS 31 -0.763 -5.846 -1.596 224 HB2 LYS 31 HB3 LYS 31 -1.232 -7.555 0.047 225 HB3 LYS 31 HB2 LYS 31 -0.491 -8.328 -1.350 226 HG2 LYS 31 HG3 LYS 31 1.628 -8.565 -0.183 227 HG3 LYS 31 HG2 LYS 31 1.035 -7.624 1.186 228 HD2 LYS 31 HD3 LYS 31 0.012 -10.355 0.308 229 HD3 LYS 31 HD2 LYS 31 1.029 -10.024 1.713 230 HE2 LYS 31 HE3 LYS 31 -0.832 -8.603 2.647 231 HE3 LYS 31 HE2 LYS 31 -1.842 -9.110 1.292 232 HZ1 LYS 31 HZ1 LYS 31 -1.516 -11.428 2.050 233 HZ2 LYS 31 HZ2 LYS 31 -2.338 -10.464 3.165 234 HZ3 LYS 31 HZ3 LYS 31 -0.714 -10.848 3.420 235 H GLN 32 H GLN 32 2.421 -5.826 -0.140 236 HA GLN 32 HA GLN 32 1.732 -4.424 2.266 237 HB2 GLN 32 HB3 GLN 32 3.717 -5.842 2.155 238 HB3 GLN 32 HB2 GLN 32 4.406 -4.859 0.870 239 HG2 GLN 32 HG3 GLN 32 4.690 -2.978 2.415 240 HG3 GLN 32 HG2 GLN 32 3.873 -3.878 3.697 241 HE21 GLN 32 HE21 GLN 32 5.695 -3.767 5.080 242 HE22 GLN 32 HE22 GLN 32 7.138 -4.662 4.766 243 H VAL 33 H VAL 33 3.059 -3.475 -0.894 244 HA VAL 33 HA VAL 33 3.331 -0.708 -0.438 245 HB VAL 33 HB VAL 33 2.914 -2.256 -3.044 246 HG11 VAL 33 HG11 VAL 33 3.827 0.624 -2.717 247 HG12 VAL 33 HG12 VAL 33 2.301 0.097 -3.433 248 HG13 VAL 33 HG13 VAL 33 3.830 -0.284 -4.232 249 HG21 VAL 33 HG21 VAL 33 4.978 -2.852 -1.805 250 HG22 VAL 33 HG22 VAL 33 5.460 -1.156 -1.807 251 HG23 VAL 33 HG23 VAL 33 5.349 -2.041 -3.329 252 H ALA 34 H ALA 34 0.659 -2.731 -1.603 253 HA ALA 34 HA ALA 34 -1.260 -0.766 -2.141 254 HB1 ALA 34 HB1 ALA 34 -2.928 -2.541 -1.826 255 HB2 ALA 34 HB2 ALA 34 -1.711 -3.566 -1.054 256 HB3 ALA 34 HB3 ALA 34 -1.549 -3.127 -2.757 257 H ALA 35 H ALA 35 -0.566 -2.538 0.870 258 HA ALA 35 HA ALA 35 -2.477 -1.381 2.548 259 HB1 ALA 35 HB1 ALA 35 -1.179 -3.399 3.104 260 HB2 ALA 35 HB2 ALA 35 -1.053 -2.190 4.387 261 HB3 ALA 35 HB3 ALA 35 0.286 -2.426 3.257 262 H LEU 36 H LEU 36 0.810 -0.339 1.724 263 HA LEU 36 HA LEU 36 0.974 1.783 3.610 264 HB2 LEU 36 HB3 LEU 36 2.611 1.185 1.118 265 HB3 LEU 36 HB2 LEU 36 3.000 2.471 2.252 266 HG LEU 36 HG LEU 36 2.926 -0.497 2.943 267 HD11 LEU 36 HD11 LEU 36 5.357 -0.372 3.121 268 HD12 LEU 36 HD12 LEU 36 5.326 1.308 2.577 269 HD13 LEU 36 HD13 LEU 36 4.817 0.014 1.487 270 HD21 LEU 36 HD21 LEU 36 3.939 0.160 5.088 271 HD22 LEU 36 HD22 LEU 36 2.339 0.865 4.881 272 HD23 LEU 36 HD23 LEU 36 3.778 1.863 4.648 273 H TRP 37 H TRP 37 -0.020 1.659 0.170 274 HA TRP 37 HA TRP 37 -0.278 4.502 -0.154 275 HB2 TRP 37 HB3 TRP 37 -1.484 2.192 -1.728 276 HB3 TRP 37 HB2 TRP 37 -1.725 3.877 -2.173 277 HD1 TRP 37 HD1 TRP 37 1.774 2.966 -1.027 278 HE1 TRP 37 HE1 TRP 37 3.346 2.912 -3.050 279 HE3 TRP 37 HE3 TRP 37 -1.688 3.348 -4.761 280 HZ2 TRP 37 HZ2 TRP 37 3.176 3.016 -5.838 281 HZ3 TRP 37 HZ3 TRP 37 -0.892 3.361 -7.089 282 HH2 TRP 37 HH2 TRP 37 1.491 3.195 -7.610 283 H GLN 38 H GLN 38 -2.409 1.978 1.056 284 HA GLN 38 HA GLN 38 -4.823 3.523 1.101 285 HB2 GLN 38 HB3 GLN 38 -4.004 0.965 2.528 286 HB3 GLN 38 HB2 GLN 38 -5.620 1.661 2.663 287 HG2 GLN 38 HG3 GLN 38 -6.010 1.400 0.290 288 HG3 GLN 38 HG2 GLN 38 -4.337 0.922 0.020 289 HE21 GLN 38 HE21 GLN 38 -4.915 -1.024 -0.971 290 HE22 GLN 38 HE22 GLN 38 -5.605 -2.343 -0.095 291 H GLN 39 H GLN 39 -2.074 3.316 3.193 292 HA GLN 39 HA GLN 39 -3.342 4.723 5.413 293 HB2 GLN 39 HB3 GLN 39 -0.435 3.903 4.973 294 HB3 GLN 39 HB2 GLN 39 -1.074 4.608 6.455 295 HG2 GLN 39 HG3 GLN 39 -1.885 1.941 5.265 296 HG3 GLN 39 HG2 GLN 39 -0.822 2.168 6.649 297 HE21 GLN 39 HE21 GLN 39 -3.458 0.767 6.339 298 HE22 GLN 39 HE22 GLN 39 -4.474 1.426 7.571 299 H LEU 40 H LEU 40 -0.744 5.371 3.043 300 HA LEU 40 HA LEU 40 -0.155 7.993 3.860 301 HB2 LEU 40 HB3 LEU 40 0.563 6.247 1.525 302 HB3 LEU 40 HB2 LEU 40 0.881 7.961 1.365 303 HG LEU 40 HG LEU 40 2.876 6.767 2.103 304 HD11 LEU 40 HD11 LEU 40 2.602 9.098 2.820 305 HD12 LEU 40 HD12 LEU 40 3.514 8.162 3.997 306 HD13 LEU 40 HD13 LEU 40 1.823 8.560 4.314 307 HD21 LEU 40 HD21 LEU 40 1.928 4.876 3.287 308 HD22 LEU 40 HD22 LEU 40 1.320 5.926 4.567 309 HD23 LEU 40 HD23 LEU 40 3.060 5.723 4.337 310 H LEU 41 H LEU 41 -1.922 6.870 0.937 311 HA LEU 41 HA LEU 41 -2.757 9.510 0.163 312 HB2 LEU 41 HB3 LEU 41 -3.957 6.839 -0.678 313 HB3 LEU 41 HB2 LEU 41 -4.177 8.375 -1.498 314 HG LEU 41 HG LEU 41 -1.595 6.799 -1.326 315 HD11 LEU 41 HD11 LEU 41 -3.197 5.721 -2.809 316 HD12 LEU 41 HD12 LEU 41 -1.863 6.412 -3.732 317 HD13 LEU 41 HD13 LEU 41 -3.427 7.233 -3.694 318 HD21 LEU 41 HD21 LEU 41 -2.156 9.400 -2.784 319 HD22 LEU 41 HD22 LEU 41 -0.682 8.440 -2.926 320 HD23 LEU 41 HD23 LEU 41 -1.096 9.185 -1.386 321 H SER 42 H SER 42 -3.882 7.153 2.387 322 HA SER 42 HA SER 42 -5.660 6.789 3.684 323 HB2 SER 42 HB3 SER 42 -5.271 9.110 4.482 324 HB3 SER 42 HB2 SER 42 -6.331 9.733 3.221 325 HG SER 42 HG SER 42 -7.700 7.877 4.540 326 H THR 43 H THR 43 -6.266 5.392 1.915 327 HA THR 43 HA THR 43 -8.697 6.200 0.412 328 HB THR 43 HB THR 43 -7.937 4.608 -1.377 329 HG1 THR 43 HG1 THR 43 -5.315 4.584 -0.430 330 HG21 THR 43 HG21 THR 43 -6.135 6.009 -2.348 331 HG22 THR 43 HG22 THR 43 -5.898 6.797 -0.788 332 HG23 THR 43 HG23 THR 43 -7.412 7.022 -1.664 333 H GLY 44 H GLY 44 -10.194 4.460 -0.047 334 HA2 GLY 44 HA3 GLY 44 -10.715 2.714 2.126 335 HA3 GLY 44 HA2 GLY 44 -11.562 2.732 0.589 336 H ASN 45 H ASN 45 -9.629 2.114 -1.197 337 HA ASN 45 HA ASN 45 -7.918 -0.045 -0.450 338 HB2 ASN 45 HB3 ASN 45 -10.076 -1.288 -0.484 339 HB3 ASN 45 HB2 ASN 45 -10.399 -0.718 -2.116 340 HD21 ASN 45 HD21 ASN 45 -8.429 -2.877 -0.170 341 HD22 ASN 45 HD22 ASN 45 -7.870 -3.857 -1.478 342 H VAL 46 H VAL 46 -6.226 0.215 -1.771 343 HA VAL 46 HA VAL 46 -6.594 1.179 -4.544 344 HB VAL 46 HB VAL 46 -4.157 1.614 -4.594 345 HG11 VAL 46 HG11 VAL 46 -4.088 3.576 -3.099 346 HG12 VAL 46 HG12 VAL 46 -5.523 2.987 -2.255 347 HG13 VAL 46 HG13 VAL 46 -5.630 3.460 -3.953 348 HG21 VAL 46 HG21 VAL 46 -3.392 -0.081 -2.981 349 HG22 VAL 46 HG22 VAL 46 -4.124 0.828 -1.659 350 HG23 VAL 46 HG23 VAL 46 -2.780 1.516 -2.566 351 H THR 47 H THR 47 -5.479 0.062 -6.222 352 HA THR 47 HA THR 47 -5.137 -2.842 -5.741 353 HB THR 47 HB THR 47 -6.287 -3.158 -7.946 354 HG1 THR 47 HG1 THR 47 -6.717 -1.461 -9.110 355 HG21 THR 47 HG21 THR 47 -7.911 -1.674 -5.837 356 HG22 THR 47 HG22 THR 47 -7.578 -3.410 -5.862 357 HG23 THR 47 HG23 THR 47 -8.573 -2.687 -7.122 358 H ARG 48 H ARG 48 -4.317 -3.792 -8.081 359 HA ARG 48 HA ARG 48 -1.558 -3.094 -8.042 360 HB2 ARG 48 HB3 ARG 48 -1.266 -4.882 -9.669 361 HB3 ARG 48 HB2 ARG 48 -2.468 -5.403 -8.491 362 HG2 ARG 48 HG3 ARG 48 -4.258 -4.713 -10.119 363 HG3 ARG 48 HG2 ARG 48 -2.991 -4.388 -11.302 364 HD2 ARG 48 HD3 ARG 48 -2.319 -6.763 -11.220 365 HD3 ARG 48 HD2 ARG 48 -3.597 -7.079 -10.034 366 HE ARG 48 HE ARG 48 -4.577 -5.834 -12.431 367 HH11 ARG 48 HH11 ARG 48 -3.767 -8.975 -11.049 368 HH12 ARG 48 HH12 ARG 48 -4.796 -9.845 -12.134 369 HH21 ARG 48 HH21 ARG 48 -5.855 -6.977 -13.862 370 HH22 ARG 48 HH22 ARG 48 -5.986 -8.704 -13.740 371 H GLU 49 H GLU 49 -4.209 -2.151 -10.130 372 HA GLU 49 HA GLU 49 -2.397 -0.822 -12.067 373 HB2 GLU 49 HB3 GLU 49 -4.107 -2.498 -12.906 374 HB3 GLU 49 HB2 GLU 49 -5.386 -1.435 -12.336 375 HG2 GLU 49 HG3 GLU 49 -4.612 0.309 -13.915 376 HG3 GLU 49 HG2 GLU 49 -3.356 -0.786 -14.491 377 H THR 50 H THR 50 -3.917 -0.080 -9.277 378 HA THR 50 HA THR 50 -4.820 2.578 -9.762 379 HB THR 50 HB THR 50 -3.760 1.167 -7.292 380 HG1 THR 50 HG1 THR 50 -6.002 0.945 -8.330 381 HG21 THR 50 HG21 THR 50 -4.467 3.128 -5.942 382 HG22 THR 50 HG22 THR 50 -4.743 4.039 -7.424 383 HG23 THR 50 HG23 THR 50 -3.110 3.521 -7.001 384 H ASP 51 H ASP 51 -3.648 4.321 -10.286 385 HA ASP 51 HA ASP 51 -0.716 4.316 -10.053 386 HB2 ASP 51 HB3 ASP 51 -2.600 6.207 -11.520 387 HB3 ASP 51 HB2 ASP 51 -0.854 6.424 -11.440 388 H PHE 52 H PHE 52 0.371 5.608 -8.697 389 HA PHE 52 HA PHE 52 -0.729 6.454 -6.290 390 HB2 PHE 52 HB3 PHE 52 1.680 5.842 -6.723 391 HB3 PHE 52 HB2 PHE 52 1.898 7.372 -7.559 392 HD1 PHE 52 HD1 PHE 52 2.334 9.394 -6.321 393 HD2 PHE 52 HD2 PHE 52 1.181 5.819 -4.259 394 HE1 PHE 52 HE1 PHE 52 2.894 10.437 -4.172 395 HE2 PHE 52 HE2 PHE 52 1.741 6.883 -2.116 396 HZ PHE 52 HZ PHE 52 2.592 9.191 -2.076 397 H PHE 53 H PHE 53 0.413 8.433 -9.016 398 HA PHE 53 HA PHE 53 -0.298 10.932 -7.847 399 HB2 PHE 53 HB3 PHE 53 0.474 10.284 -10.724 400 HB3 PHE 53 HB2 PHE 53 0.396 11.903 -10.031 401 HD1 PHE 53 HD1 PHE 53 2.399 8.845 -10.310 402 HD2 PHE 53 HD2 PHE 53 2.073 12.599 -8.269 403 HE1 PHE 53 HE1 PHE 53 4.722 8.645 -9.548 404 HE2 PHE 53 HE2 PHE 53 4.410 12.379 -7.514 405 HZ PHE 53 HZ PHE 53 5.733 10.401 -8.155 406 H GLN 54 H GLN 54 -1.932 8.681 -9.966 407 HA GLN 54 HA GLN 54 -4.008 10.380 -10.914 408 HB2 GLN 54 HB3 GLN 54 -3.541 8.377 -12.114 409 HB3 GLN 54 HB2 GLN 54 -3.679 7.376 -10.685 410 HG2 GLN 54 HG3 GLN 54 -6.146 8.797 -11.659 411 HG3 GLN 54 HG2 GLN 54 -5.563 7.412 -12.575 412 HE21 GLN 54 HE21 GLN 54 -8.051 7.717 -11.034 413 HE22 GLN 54 HE22 GLN 54 -8.057 6.425 -9.887 414 H GLN 55 H GLN 55 -3.604 8.433 -7.991 415 HA GLN 55 HA GLN 55 -6.274 9.034 -6.968 416 HB2 GLN 55 HB3 GLN 55 -3.883 7.609 -5.739 417 HB3 GLN 55 HB2 GLN 55 -5.433 7.805 -4.927 418 HG2 GLN 55 HG3 GLN 55 -5.016 6.346 -7.540 419 HG3 GLN 55 HG2 GLN 55 -5.138 5.585 -5.954 420 HE21 GLN 55 HE21 GLN 55 -6.819 5.238 -8.309 421 HE22 GLN 55 HE22 GLN 55 -8.430 5.577 -7.782 422 H GLY 56 H GLY 56 -4.049 11.167 -7.448 423 HA2 GLY 56 HA3 GLY 56 -3.951 13.320 -6.614 424 HA3 GLY 56 HA2 GLY 56 -4.821 12.813 -5.177 425 H GLY 57 H GLY 57 -2.180 10.768 -5.820 426 HA2 GLY 57 HA3 GLY 57 -0.649 11.637 -3.574 427 HA3 GLY 57 HA2 GLY 57 -0.170 10.432 -4.763 428 H ASP 58 H ASP 58 1.052 13.020 -3.479 429 HA ASP 58 HA ASP 58 1.893 14.420 -5.951 430 HB2 ASP 58 HB3 ASP 58 0.922 15.750 -4.048 431 HB3 ASP 58 HB2 ASP 58 2.243 15.214 -3.018 432 H SER 59 H SER 59 4.249 15.114 -5.958 433 HA SER 59 HA SER 59 6.076 13.020 -5.866 434 HB2 SER 59 HB3 SER 59 7.805 14.838 -6.112 435 HB3 SER 59 HB2 SER 59 6.455 15.017 -7.226 436 HG SER 59 HG SER 59 5.586 16.482 -5.479 437 H LEU 60 H LEU 60 5.403 15.531 -3.443 438 HA LEU 60 HA LEU 60 7.469 14.775 -1.626 439 HB2 LEU 60 HB3 LEU 60 6.448 17.067 -1.877 440 HB3 LEU 60 HB2 LEU 60 4.990 16.478 -1.115 441 HG LEU 60 HG LEU 60 6.671 17.870 0.307 442 HD11 LEU 60 HD11 LEU 60 4.790 16.726 1.342 443 HD12 LEU 60 HD12 LEU 60 6.218 16.664 2.372 444 HD13 LEU 60 HD13 LEU 60 5.730 15.236 1.452 445 HD21 LEU 60 HD21 LEU 60 8.501 16.651 1.375 446 HD22 LEU 60 HD22 LEU 60 8.722 16.701 -0.373 447 HD23 LEU 60 HD23 LEU 60 8.148 15.221 0.401 448 H LEU 61 H LEU 61 4.015 13.988 -1.924 449 HA LEU 61 HA LEU 61 3.736 12.435 0.438 450 HB2 LEU 61 HB3 LEU 61 1.963 13.312 -1.403 451 HB3 LEU 61 HB2 LEU 61 2.198 11.708 -2.065 452 HG LEU 61 HG LEU 61 1.163 12.335 0.739 453 HD11 LEU 61 HD11 LEU 61 -0.480 12.902 -0.956 454 HD12 LEU 61 HD12 LEU 61 -0.989 11.472 -0.064 455 HD13 LEU 61 HD13 LEU 61 -0.321 11.305 -1.691 456 HD21 LEU 61 HD21 LEU 61 1.420 9.644 -0.632 457 HD22 LEU 61 HD22 LEU 61 0.623 9.940 0.918 458 HD23 LEU 61 HD23 LEU 61 2.357 10.205 0.754 459 H ALA 62 H ALA 62 4.948 11.778 -2.787 460 HA ALA 62 HA ALA 62 5.288 8.963 -2.545 461 HB1 ALA 62 HB1 ALA 62 5.085 10.085 -4.707 462 HB2 ALA 62 HB2 ALA 62 6.598 9.186 -4.617 463 HB3 ALA 62 HB3 ALA 62 6.603 10.943 -4.435 464 H THR 63 H THR 63 7.250 11.735 -1.590 465 HA THR 63 HA THR 63 9.717 10.367 -1.117 466 HB THR 63 HB THR 63 8.688 12.905 0.251 467 HG1 THR 63 HG1 THR 63 8.959 12.602 -2.281 468 HG21 THR 63 HG21 THR 63 10.737 11.999 1.298 469 HG22 THR 63 HG22 THR 63 11.084 13.502 0.440 470 HG23 THR 63 HG23 THR 63 11.531 11.955 -0.280 471 H ARG 64 H ARG 64 6.842 11.068 0.806 472 HA ARG 64 HA ARG 64 7.660 9.964 3.276 473 HB2 ARG 64 HB3 ARG 64 4.816 10.095 2.166 474 HB3 ARG 64 HB2 ARG 64 5.279 9.961 3.863 475 HG2 ARG 64 HG3 ARG 64 6.290 12.219 3.759 476 HG3 ARG 64 HG2 ARG 64 5.810 12.356 2.065 477 HD2 ARG 64 HD3 ARG 64 3.429 12.191 2.738 478 HD3 ARG 64 HD2 ARG 64 3.914 12.054 4.433 479 HE ARG 64 HE ARG 64 3.827 14.445 2.802 480 HH11 ARG 64 HH11 ARG 64 5.137 13.052 5.759 481 HH12 ARG 64 HH12 ARG 64 5.423 14.598 6.493 482 HH21 ARG 64 HH21 ARG 64 4.237 16.439 3.767 483 HH22 ARG 64 HH22 ARG 64 4.911 16.512 5.360 484 H LEU 65 H LEU 65 5.929 8.640 0.487 485 HA LEU 65 HA LEU 65 5.278 6.114 1.543 486 HB2 LEU 65 HB3 LEU 65 4.180 7.336 -0.388 487 HB3 LEU 65 HB2 LEU 65 5.547 6.897 -1.388 488 HG LEU 65 HG LEU 65 3.393 5.502 -1.638 489 HD11 LEU 65 HD11 LEU 65 5.502 4.727 -2.608 490 HD12 LEU 65 HD12 LEU 65 4.523 3.385 -2.019 491 HD13 LEU 65 HD13 LEU 65 5.919 3.930 -1.087 492 HD21 LEU 65 HD21 LEU 65 3.014 3.679 -0.040 493 HD22 LEU 65 HD22 LEU 65 2.849 5.248 0.741 494 HD23 LEU 65 HD23 LEU 65 4.311 4.288 0.993 495 H THR 66 H THR 66 7.966 7.156 -0.581 496 HA THR 66 HA THR 66 9.228 4.667 -0.911 497 HB THR 66 HB THR 66 11.354 6.083 -1.283 498 HG1 THR 66 HG1 THR 66 9.887 8.398 -1.472 499 HG21 THR 66 HG21 THR 66 9.907 5.462 -3.186 500 HG22 THR 66 HG22 THR 66 10.564 7.087 -3.395 501 HG23 THR 66 HG23 THR 66 8.888 6.872 -2.878 502 H GLY 67 H GLY 67 9.436 7.091 1.633 503 HA2 GLY 67 HA3 GLY 67 11.442 6.051 3.263 504 HA3 GLY 67 HA2 GLY 67 10.088 7.015 3.815 505 H GLN 68 H GLN 68 7.938 5.275 3.261 506 HA GLN 68 HA GLN 68 7.971 3.476 5.452 507 HB2 GLN 68 HB3 GLN 68 6.069 4.025 3.183 508 HB3 GLN 68 HB2 GLN 68 5.851 2.527 4.075 509 HG2 GLN 68 HG3 GLN 68 4.397 4.288 4.928 510 HG3 GLN 68 HG2 GLN 68 5.537 3.749 6.155 511 HE21 GLN 68 HE21 GLN 68 4.625 6.344 4.053 512 HE22 GLN 68 HE22 GLN 68 5.554 7.580 4.810 513 H LEU 69 H LEU 69 8.479 3.010 1.987 514 HA LEU 69 HA LEU 69 8.699 0.182 1.933 515 HB2 LEU 69 HB3 LEU 69 9.967 2.273 0.126 516 HB3 LEU 69 HB2 LEU 69 9.861 0.555 -0.246 517 HG LEU 69 HG LEU 69 7.443 2.354 0.180 518 HD11 LEU 69 HD11 LEU 69 7.134 2.277 -2.244 519 HD12 LEU 69 HD12 LEU 69 8.684 1.446 -2.418 520 HD13 LEU 69 HD13 LEU 69 8.627 3.095 -1.787 521 HD21 LEU 69 HD21 LEU 69 6.976 0.002 0.661 522 HD22 LEU 69 HD22 LEU 69 7.634 -0.473 -0.909 523 HD23 LEU 69 HD23 LEU 69 6.168 0.510 -0.822 524 H HIS 70 H HIS 70 11.005 2.778 2.539 525 HA HIS 70 HA HIS 70 13.397 1.273 2.618 526 HB2 HIS 70 HB3 HIS 70 12.649 3.930 3.912 527 HB3 HIS 70 HB2 HIS 70 14.273 3.254 4.000 528 HD1 HIS 70 HD1 HIS 70 13.192 5.946 2.453 529 HD2 HIS 70 HD2 HIS 70 14.475 2.362 0.816 530 HE1 HIS 70 HE1 HIS 70 13.955 6.501 0.132 531 HE2 HIS 70 HE2 HIS 70 14.905 4.360 -0.762 532 H GLN 71 H GLN 71 10.934 1.939 5.019 533 HA GLN 71 HA GLN 71 12.323 0.817 7.278 534 HB2 GLN 71 HB3 GLN 71 9.366 1.453 6.885 535 HB3 GLN 71 HB2 GLN 71 10.140 1.091 8.432 536 HG2 GLN 71 HG3 GLN 71 11.583 3.095 8.145 537 HG3 GLN 71 HG2 GLN 71 10.743 3.465 6.652 538 HE21 GLN 71 HE21 GLN 71 8.706 4.379 6.722 539 HE22 GLN 71 HE22 GLN 71 7.980 4.952 8.176 540 H ALA 72 H ALA 72 10.239 -0.423 4.752 541 HA ALA 72 HA ALA 72 9.923 -3.068 5.915 542 HB1 ALA 72 HB1 ALA 72 8.874 -3.657 3.770 543 HB2 ALA 72 HB2 ALA 72 9.373 -2.109 3.074 544 HB3 ALA 72 HB3 ALA 72 8.202 -2.151 4.395 545 H GLY 73 H GLY 73 12.545 -1.494 4.654 546 HA2 GLY 73 HA3 GLY 73 14.675 -2.222 4.189 547 HA3 GLY 73 HA2 GLY 73 14.128 -3.883 4.341 548 H TYR 74 H TYR 74 12.681 -1.523 2.171 549 HA TYR 74 HA TYR 74 13.976 -2.821 -0.169 550 HB2 TYR 74 HB3 TYR 74 11.336 -1.293 -0.269 551 HB3 TYR 74 HB2 TYR 74 12.029 -2.332 -1.506 552 HD1 TYR 74 HD1 TYR 74 9.282 -2.229 0.331 553 HD2 TYR 74 HD2 TYR 74 12.661 -4.822 -0.069 554 HE1 TYR 74 HE1 TYR 74 7.937 -4.104 1.156 555 HE2 TYR 74 HE2 TYR 74 11.308 -6.700 0.766 556 HH TYR 74 HH TYR 74 7.906 -6.550 1.115 557 H GLU 75 H GLU 75 15.141 -1.464 -1.486 558 HA GLU 75 HA GLU 75 15.404 1.329 -0.816 559 HB2 GLU 75 HB3 GLU 75 17.347 0.042 -1.627 560 HB3 GLU 75 HB2 GLU 75 16.524 -0.271 -3.148 561 HG2 GLU 75 HG3 GLU 75 18.219 1.479 -3.409 562 HG3 GLU 75 HG2 GLU 75 16.605 2.107 -3.724 563 H ALA 76 H ALA 76 14.587 3.058 -1.993 564 HA ALA 76 HA ALA 76 12.601 2.676 -4.094 565 HB1 ALA 76 HB1 ALA 76 10.766 3.602 -2.745 566 HB2 ALA 76 HB2 ALA 76 11.821 3.639 -1.327 567 HB3 ALA 76 HB3 ALA 76 11.372 2.095 -2.055 568 H GLN 77 H GLN 77 12.562 4.424 -5.375 569 HA GLN 77 HA GLN 77 13.842 6.938 -4.470 570 HB2 GLN 77 HB3 GLN 77 14.136 5.501 -7.147 571 HB3 GLN 77 HB2 GLN 77 14.722 7.132 -6.838 572 HG2 GLN 77 HG3 GLN 77 15.669 4.641 -5.376 573 HG3 GLN 77 HG2 GLN 77 16.515 5.422 -6.705 574 HE21 GLN 77 HE21 GLN 77 17.483 7.462 -6.355 575 HE22 GLN 77 HE22 GLN 77 17.850 8.023 -4.762 576 H LEU 78 H LEU 78 13.073 8.838 -5.308 577 HA LEU 78 HA LEU 78 10.325 9.061 -5.959 578 HB2 LEU 78 HB3 LEU 78 12.642 11.015 -5.860 579 HB3 LEU 78 HB2 LEU 78 11.103 11.531 -6.527 580 HG LEU 78 HG LEU 78 11.210 12.235 -4.227 581 HD11 LEU 78 HD11 LEU 78 9.294 9.900 -4.449 582 HD12 LEU 78 HD12 LEU 78 9.028 11.531 -5.076 583 HD13 LEU 78 HD13 LEU 78 9.180 11.273 -3.344 584 HD21 LEU 78 HD21 LEU 78 12.854 10.642 -3.321 585 HD22 LEU 78 HD22 LEU 78 11.674 9.332 -3.419 586 HD23 LEU 78 HD23 LEU 78 11.407 10.684 -2.313 587 H SER 79 H SER 79 13.294 9.219 -7.848 588 HA SER 79 HA SER 79 12.291 10.008 -10.323 589 HB2 SER 79 HB3 SER 79 14.718 9.836 -9.720 590 HB3 SER 79 HB2 SER 79 14.593 8.079 -9.798 591 HG SER 79 HG SER 79 14.743 9.945 -11.819 592 H ASP 80 H ASP 80 12.436 6.778 -8.817 593 HA ASP 80 HA ASP 80 11.572 5.365 -11.161 594 HB2 ASP 80 HB3 ASP 80 13.011 4.327 -9.351 595 HB3 ASP 80 HB2 ASP 80 11.593 4.306 -8.300 596 H LEU 81 H LEU 81 9.953 6.385 -8.098 597 HA LEU 81 HA LEU 81 7.417 5.337 -8.665 598 HB2 LEU 81 HB3 LEU 81 8.609 6.728 -6.545 599 HB3 LEU 81 HB2 LEU 81 7.389 7.860 -7.089 600 HG LEU 81 HG LEU 81 6.855 4.988 -6.294 601 HD11 LEU 81 HD11 LEU 81 6.294 7.495 -4.710 602 HD12 LEU 81 HD12 LEU 81 7.553 6.312 -4.361 603 HD13 LEU 81 HD13 LEU 81 5.856 5.849 -4.242 604 HD21 LEU 81 HD21 LEU 81 5.183 5.795 -7.892 605 HD22 LEU 81 HD22 LEU 81 4.881 7.214 -6.884 606 HD23 LEU 81 HD23 LEU 81 4.469 5.602 -6.291 607 H PHE 82 H PHE 82 8.936 8.349 -9.634 608 HA PHE 82 HA PHE 82 6.678 9.706 -10.654 609 HB2 PHE 82 HB3 PHE 82 8.880 10.788 -10.135 610 HB3 PHE 82 HB2 PHE 82 9.597 9.965 -11.513 611 HD1 PHE 82 HD1 PHE 82 9.503 10.973 -13.681 612 HD2 PHE 82 HD2 PHE 82 6.938 12.427 -10.568 613 HE1 PHE 82 HE1 PHE 82 8.832 12.860 -15.104 614 HE2 PHE 82 HE2 PHE 82 6.278 14.311 -12.006 615 HZ PHE 82 HZ PHE 82 7.224 14.527 -14.272 616 H ASN 83 H ASN 83 8.947 7.417 -12.064 617 HA ASN 83 HA ASN 83 7.804 7.462 -14.732 618 HB2 ASN 83 HB3 ASN 83 10.223 7.124 -14.426 619 HB3 ASN 83 HB2 ASN 83 9.924 5.686 -13.454 620 HD21 ASN 83 HD21 ASN 83 11.059 4.318 -14.802 621 HD22 ASN 83 HD22 ASN 83 10.526 3.875 -16.381 622 H HIS 84 H HIS 84 7.485 5.539 -11.800 623 HA HIS 84 HA HIS 84 5.661 3.615 -13.162 624 HB2 HIS 84 HB3 HIS 84 7.381 3.091 -10.696 625 HB3 HIS 84 HB2 HIS 84 6.260 1.952 -11.416 626 HD1 HIS 84 HD1 HIS 84 7.457 0.172 -12.659 627 HD2 HIS 84 HD2 HIS 84 9.511 3.785 -12.821 628 HE1 HIS 84 HE1 HIS 84 9.604 -0.307 -13.867 629 HE2 HIS 84 HE2 HIS 84 10.822 1.881 -13.940 630 HA PRO 85 HA PRO 85 3.113 5.705 -9.901 631 HB2 PRO 85 HB3 PRO 85 0.991 6.077 -11.880 632 HB3 PRO 85 HB2 PRO 85 1.924 7.322 -11.029 633 HG2 PRO 85 HG3 PRO 85 2.134 6.867 -13.729 634 HG3 PRO 85 HG2 PRO 85 3.443 7.552 -12.739 635 HD2 PRO 85 HD3 PRO 85 3.087 4.701 -13.673 636 HD3 PRO 85 HD2 PRO 85 4.560 5.704 -13.630 637 H ARG 86 H ARG 86 2.177 3.375 -12.440 638 HA ARG 86 HA ARG 86 0.102 1.951 -11.356 639 HB2 ARG 86 HB3 ARG 86 1.516 1.778 -13.601 640 HB3 ARG 86 HB2 ARG 86 2.459 0.595 -12.715 641 HG2 ARG 86 HG3 ARG 86 0.859 -0.545 -14.084 642 HG3 ARG 86 HG2 ARG 86 0.377 -0.745 -12.395 643 HD2 ARG 86 HD3 ARG 86 -1.457 -0.146 -14.149 644 HD3 ARG 86 HD2 ARG 86 -1.450 0.701 -12.608 645 HE ARG 86 HE ARG 86 -0.793 2.649 -13.657 646 HH11 ARG 86 HH11 ARG 86 -1.012 0.086 -16.064 647 HH12 ARG 86 HH12 ARG 86 -0.996 1.202 -17.393 648 HH21 ARG 86 HH21 ARG 86 -0.810 4.047 -15.350 649 HH22 ARG 86 HH22 ARG 86 -0.882 3.466 -16.988 650 H LEU 87 H LEU 87 -0.127 0.642 -9.578 651 HA LEU 87 HA LEU 87 1.774 0.696 -7.535 652 HB2 LEU 87 HB3 LEU 87 -0.733 0.495 -7.315 653 HB3 LEU 87 HB2 LEU 87 -0.586 -1.206 -7.703 654 HG LEU 87 HG LEU 87 0.895 -0.062 -5.294 655 HD11 LEU 87 HD11 LEU 87 -1.458 0.633 -5.067 656 HD12 LEU 87 HD12 LEU 87 -1.007 -0.569 -3.866 657 HD13 LEU 87 HD13 LEU 87 -1.976 -1.045 -5.263 658 HD21 LEU 87 HD21 LEU 87 0.652 -2.357 -4.400 659 HD22 LEU 87 HD22 LEU 87 1.479 -2.363 -5.957 660 HD23 LEU 87 HD23 LEU 87 -0.217 -2.836 -5.864 661 H ALA 88 H ALA 88 0.731 -2.168 -9.443 662 HA ALA 88 HA ALA 88 2.563 -3.935 -8.176 663 HB1 ALA 88 HB1 ALA 88 0.471 -4.718 -9.168 664 HB2 ALA 88 HB2 ALA 88 1.847 -5.562 -9.875 665 HB3 ALA 88 HB3 ALA 88 1.041 -4.275 -10.778 666 H ASP 89 H ASP 89 2.739 -1.934 -11.070 667 HA ASP 89 HA ASP 89 5.050 -3.166 -12.220 668 HB2 ASP 89 HB3 ASP 89 3.482 -1.888 -13.612 669 HB3 ASP 89 HB2 ASP 89 3.828 -0.415 -12.710 670 H PHE 90 H PHE 90 4.517 -0.542 -9.954 671 HA PHE 90 HA PHE 90 7.277 0.262 -9.741 672 HB2 PHE 90 HB3 PHE 90 5.505 1.875 -9.226 673 HB3 PHE 90 HB2 PHE 90 4.836 0.820 -7.986 674 HD1 PHE 90 HD1 PHE 90 5.322 1.434 -5.770 675 HD2 PHE 90 HD2 PHE 90 8.168 2.396 -8.827 676 HE1 PHE 90 HE1 PHE 90 6.783 2.480 -4.099 677 HE2 PHE 90 HE2 PHE 90 9.622 3.439 -7.136 678 HZ PHE 90 HZ PHE 90 8.934 3.475 -4.771 679 H ALA 91 H ALA 91 5.086 -1.884 -7.990 680 HA ALA 91 HA ALA 91 6.731 -2.369 -5.731 681 HB1 ALA 91 HB1 ALA 91 5.116 -4.143 -5.228 682 HB2 ALA 91 HB2 ALA 91 4.444 -4.009 -6.857 683 HB3 ALA 91 HB3 ALA 91 4.300 -2.660 -5.724 684 H ALA 92 H ALA 92 6.289 -4.074 -8.808 685 HA ALA 92 HA ALA 92 7.946 -6.300 -8.215 686 HB1 ALA 92 HB1 ALA 92 6.267 -6.356 -9.989 687 HB2 ALA 92 HB2 ALA 92 7.864 -6.739 -10.639 688 HB3 ALA 92 HB3 ALA 92 7.160 -5.139 -10.902 689 H THR 93 H THR 93 8.667 -3.024 -9.132 690 HA THR 93 HA THR 93 11.374 -3.489 -10.051 691 HB THR 93 HB THR 93 10.190 -0.834 -9.102 692 HG1 THR 93 HG1 THR 93 8.972 -0.833 -10.798 693 HG21 THR 93 HG21 THR 93 12.648 -0.851 -9.547 694 HG22 THR 93 HG22 THR 93 11.762 0.181 -10.674 695 HG23 THR 93 HG23 THR 93 12.323 -1.410 -11.193 696 H LEU 94 H LEU 94 9.763 -2.849 -6.987 697 HA LEU 94 HA LEU 94 11.942 -1.772 -5.520 698 HB2 LEU 94 HB3 LEU 94 9.423 -3.206 -4.608 699 HB3 LEU 94 HB2 LEU 94 10.548 -2.428 -3.499 700 HG LEU 94 HG LEU 94 9.005 -0.984 -5.695 701 HD11 LEU 94 HD11 LEU 94 7.658 -0.028 -3.907 702 HD12 LEU 94 HD12 LEU 94 8.493 -1.025 -2.712 703 HD13 LEU 94 HD13 LEU 94 7.493 -1.782 -3.959 704 HD21 LEU 94 HD21 LEU 94 11.130 0.116 -5.199 705 HD22 LEU 94 HD22 LEU 94 10.760 0.118 -3.472 706 HD23 LEU 94 HD23 LEU 94 9.781 1.071 -4.590 707 H ARG 95 H ARG 95 13.754 -2.764 -4.980 708 HA ARG 95 HA ARG 95 13.802 -5.660 -4.331 709 HB2 ARG 95 HB3 ARG 95 16.036 -3.894 -5.437 710 HB3 ARG 95 HB2 ARG 95 16.226 -5.584 -4.958 711 HG2 ARG 95 HG3 ARG 95 14.548 -6.232 -6.673 712 HG3 ARG 95 HG2 ARG 95 14.447 -4.544 -7.185 713 HD2 ARG 95 HD3 ARG 95 16.809 -4.596 -7.862 714 HD3 ARG 95 HD2 ARG 95 16.958 -6.263 -7.287 715 HE ARG 95 HE ARG 95 15.375 -5.346 -9.609 716 HH11 ARG 95 HH11 ARG 95 16.856 -8.002 -7.844 717 HH12 ARG 95 HH12 ARG 95 16.560 -9.158 -9.101 718 HH21 ARG 95 HH21 ARG 95 14.953 -6.871 -11.223 719 HH22 ARG 95 HH22 ARG 95 15.474 -8.512 -11.025 720 H LYS 96 H LYS 96 15.505 -6.229 -2.733 721 HA LYS 96 HA LYS 96 14.900 -4.663 -0.387 722 HB2 LYS 96 HB3 LYS 96 16.467 -7.267 -0.620 723 HB3 LYS 96 HB2 LYS 96 15.837 -6.550 0.867 724 HG2 LYS 96 HG3 LYS 96 13.513 -6.778 -0.107 725 HG3 LYS 96 HG2 LYS 96 14.232 -7.682 -1.448 726 HD2 LYS 96 HD3 LYS 96 15.116 -9.348 0.209 727 HD3 LYS 96 HD2 LYS 96 14.300 -8.459 1.499 728 HE2 LYS 96 HE3 LYS 96 12.137 -8.855 0.127 729 HE3 LYS 96 HE2 LYS 96 13.075 -10.061 -0.756 730 HZ1 LYS 96 HZ1 LYS 96 12.517 -10.029 2.160 731 HZ2 LYS 96 HZ2 LYS 96 13.518 -11.147 1.384 732 HZ3 LYS 96 HZ3 LYS 96 11.872 -11.094 1.014 733 H THR 97 H THR 97 16.250 -3.582 0.866 734 HA THR 97 HA THR 97 18.811 -2.665 -0.093 735 HB THR 97 HB THR 97 17.243 -2.080 2.469 736 HG1 THR 97 HG1 THR 97 16.875 -1.360 -0.104 737 HG21 THR 97 HG21 THR 97 19.527 -0.515 1.210 738 HG22 THR 97 HG22 THR 97 19.611 -1.420 2.727 739 HG23 THR 97 HG23 THR 97 18.562 -0.006 2.595 740 H ASP 98 H ASP 98 20.811 -3.259 0.735 741 HA ASP 98 HA ASP 98 21.231 -5.577 2.293 742 HB2 ASP 98 HB3 ASP 98 22.942 -4.567 0.769 743 HB3 ASP 98 HB2 ASP 98 23.088 -3.191 1.853 744 H VAL 99 H VAL 99 20.632 -5.781 4.376 745 HA VAL 99 HA VAL 99 20.248 -3.411 6.068 746 HB VAL 99 HB VAL 99 18.962 -5.098 7.564 747 HG11 VAL 99 HG11 VAL 99 17.790 -3.457 6.164 748 HG12 VAL 99 HG12 VAL 99 16.923 -4.993 6.142 749 HG13 VAL 99 HG13 VAL 99 17.920 -4.523 4.761 750 HG21 VAL 99 HG21 VAL 99 19.838 -7.218 6.609 751 HG22 VAL 99 HG22 VAL 99 19.111 -6.824 5.049 752 HG23 VAL 99 HG23 VAL 99 18.081 -7.131 6.450 753 HA PRO 100 HA PRO 100 24.214 -4.861 7.853 754 HB2 PRO 100 HB3 PRO 100 25.131 -2.487 8.790 755 HB3 PRO 100 HB2 PRO 100 25.059 -2.823 7.044 756 HG2 PRO 100 HG3 PRO 100 23.140 -1.231 8.729 757 HG3 PRO 100 HG2 PRO 100 23.816 -0.848 7.128 758 HD2 PRO 100 HD3 PRO 100 21.315 -1.951 7.486 759 HD3 PRO 100 HD2 PRO 100 22.284 -2.170 6.017 760 H VAL 101 H VAL 101 21.517 -3.494 9.522 761 HA VAL 101 HA VAL 101 22.555 -3.629 12.200 762 HB VAL 101 HB VAL 101 20.721 -2.103 11.758 763 HG11 VAL 101 HG11 VAL 101 18.428 -2.828 11.195 764 HG12 VAL 101 HG12 VAL 101 18.992 -4.493 11.032 765 HG13 VAL 101 HG13 VAL 101 19.577 -3.251 9.920 766 HG21 VAL 101 HG21 VAL 101 19.786 -4.344 13.592 767 HG22 VAL 101 HG22 VAL 101 19.158 -2.694 13.591 768 HG23 VAL 101 HG23 VAL 101 20.838 -2.996 14.040 769 H GLU 102 H GLU 102 20.429 -5.743 10.251 770 HA GLU 102 HA GLU 102 21.284 -8.172 11.474 771 HB2 GLU 102 HB3 GLU 102 19.792 -7.371 13.316 772 HB3 GLU 102 HB2 GLU 102 18.462 -7.188 12.175 773 HG2 GLU 102 HG3 GLU 102 18.646 -9.695 11.729 774 HG3 GLU 102 HG2 GLU 102 19.777 -9.776 13.080 775 H GLN 103 H GLN 103 20.736 -9.869 10.118 776 HA GLN 103 HA GLN 103 18.657 -9.446 8.038 777 HB2 GLN 103 HB3 GLN 103 20.891 -9.476 6.997 778 HB3 GLN 103 HB2 GLN 103 21.281 -10.990 7.811 779 HG2 GLN 103 HG3 GLN 103 19.505 -12.135 6.517 780 HG3 GLN 103 HG2 GLN 103 19.131 -10.617 5.702 781 HE21 GLN 103 HE21 GLN 103 21.488 -13.194 6.019 782 HE22 GLN 103 HE22 GLN 103 22.348 -12.845 4.561 783 HA PRO 104 HA PRO 104 17.112 -13.110 10.409 784 HB2 PRO 104 HB3 PRO 104 14.487 -12.355 9.230 785 HB3 PRO 104 HB2 PRO 104 14.949 -12.471 10.938 786 HG2 PRO 104 HG3 PRO 104 14.451 -10.090 9.769 787 HG3 PRO 104 HG2 PRO 104 15.672 -10.273 11.051 788 HD2 PRO 104 HD3 PRO 104 16.096 -10.122 8.060 789 HD3 PRO 104 HD2 PRO 104 16.987 -9.305 9.369 790 H PHE 105 H PHE 105 15.480 -14.881 9.542 791 HA PHE 105 HA PHE 105 16.467 -15.818 6.946 792 HB2 PHE 105 HB3 PHE 105 14.647 -17.205 8.968 793 HB3 PHE 105 HB2 PHE 105 15.391 -17.960 7.565 794 HD1 PHE 105 HD1 PHE 105 15.722 -17.432 11.052 795 HD2 PHE 105 HD2 PHE 105 18.045 -17.814 7.479 796 HE1 PHE 105 HE1 PHE 105 17.684 -18.058 12.391 797 HE2 PHE 105 HE2 PHE 105 20.004 -18.436 8.830 798 HZ PHE 105 HZ PHE 105 19.824 -18.560 11.285 799 H VAL 106 H VAL 106 15.008 -13.646 6.435 800 HA VAL 106 HA VAL 106 12.186 -13.952 6.223 801 HB VAL 106 HB VAL 106 13.972 -11.990 4.696 802 HG11 VAL 106 HG11 VAL 106 11.714 -12.133 3.709 803 HG12 VAL 106 HG12 VAL 106 11.935 -10.583 4.522 804 HG13 VAL 106 HG13 VAL 106 10.990 -11.856 5.296 805 HG21 VAL 106 HG21 VAL 106 13.454 -10.375 6.495 806 HG22 VAL 106 HG22 VAL 106 14.322 -11.779 7.124 807 HG23 VAL 106 HG23 VAL 106 12.579 -11.634 7.374 808 H HIS 107 H HIS 107 11.148 -15.224 4.845 809 HA HIS 107 HA HIS 107 12.455 -16.193 2.377 810 HB2 HIS 107 HB3 HIS 107 10.194 -17.350 4.066 811 HB3 HIS 107 HB2 HIS 107 10.664 -18.011 2.503 812 HD1 HIS 107 HD1 HIS 107 10.857 -19.472 5.341 813 HD2 HIS 107 HD2 HIS 107 13.993 -17.786 3.201 814 HE1 HIS 107 HE1 HIS 107 12.927 -20.675 6.100 815 HE2 HIS 107 HE2 HIS 107 14.757 -19.774 4.639 816 H SER 108 H SER 108 11.994 -14.261 1.242 817 HA SER 108 HA SER 108 9.558 -14.412 -0.288 818 HB2 SER 108 HB3 SER 108 8.938 -11.970 0.198 819 HB3 SER 108 HB2 SER 108 8.650 -13.096 1.526 820 HG SER 108 HG SER 108 9.734 -11.115 2.111 821 HA PRO 109 HA PRO 109 13.182 -12.347 -2.503 822 HB2 PRO 109 HB3 PRO 109 14.729 -14.459 -3.360 823 HB3 PRO 109 HB2 PRO 109 14.933 -13.705 -1.768 824 HG2 PRO 109 HG3 PRO 109 13.945 -16.379 -2.378 825 HG3 PRO 109 HG2 PRO 109 14.361 -15.680 -0.801 826 HD2 PRO 109 HD3 PRO 109 11.692 -15.948 -2.060 827 HD3 PRO 109 HD2 PRO 109 12.110 -15.657 -0.359 828 H GLU 110 H GLU 110 10.891 -12.278 -3.565 829 HA GLU 110 HA GLU 110 10.303 -14.140 -5.676 830 HB2 GLU 110 HB3 GLU 110 8.966 -11.479 -5.061 831 HB3 GLU 110 HB2 GLU 110 8.318 -12.761 -6.081 832 HG2 GLU 110 HG3 GLU 110 8.283 -14.253 -4.034 833 HG3 GLU 110 HG2 GLU 110 8.730 -12.842 -3.072 834 H ASP 111 H ASP 111 12.243 -13.936 -6.868 835 HA ASP 111 HA ASP 111 12.184 -12.313 -9.164 836 HB2 ASP 111 HB3 ASP 111 12.968 -10.468 -7.772 837 HB3 ASP 111 HB2 ASP 111 14.179 -11.488 -7.008 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -12.487 -14.636 -7.133 2 H2 GLY 1 H2 GLY 1 -11.376 -14.483 -8.397 3 H3 GLY 1 H3 GLY 1 -11.232 -15.754 -7.292 4 HA2 GLY 1 HA2 GLY 1 -13.272 -16.725 -8.050 5 HA3 GLY 1 HA3 GLY 1 -13.491 -15.375 -9.159 6 H THR 2 H THR 2 -13.574 -17.788 -10.261 7 HA THR 2 HA THR 2 -10.946 -18.639 -11.194 8 HB THR 2 HB THR 2 -12.276 -20.463 -12.380 9 HG1 THR 2 HG1 THR 2 -14.307 -19.659 -12.580 10 HG21 THR 2 HG21 THR 2 -11.259 -20.902 -10.178 11 HG22 THR 2 HG22 THR 2 -12.811 -21.730 -10.316 12 HG23 THR 2 HG23 THR 2 -12.685 -20.246 -9.371 13 H ILE 3 H ILE 3 -10.739 -16.429 -12.200 14 HA ILE 3 HA ILE 3 -11.200 -16.764 -15.081 15 HB ILE 3 HB ILE 3 -11.444 -14.303 -15.450 16 HG12 ILE 3 HG13 ILE 3 -10.519 -13.570 -13.181 17 HG13 ILE 3 HG12 ILE 3 -11.943 -12.705 -13.731 18 HG21 ILE 3 HG21 ILE 3 -13.840 -14.118 -14.890 19 HG22 ILE 3 HG22 ILE 3 -13.697 -15.525 -13.834 20 HG23 ILE 3 HG23 ILE 3 -13.429 -15.695 -15.570 21 HD11 ILE 3 HD11 ILE 3 -13.332 -13.979 -12.178 22 HD12 ILE 3 HD12 ILE 3 -12.015 -13.154 -11.344 23 HD13 ILE 3 HD13 ILE 3 -11.917 -14.890 -11.643 24 H ASP 4 H ASP 4 -9.504 -15.888 -16.349 25 HA ASP 4 HA ASP 4 -6.952 -16.226 -14.978 26 HB2 ASP 4 HB3 ASP 4 -7.662 -16.142 -17.939 27 HB3 ASP 4 HB2 ASP 4 -6.070 -16.523 -17.295 28 H TYR 5 H TYR 5 -6.716 -14.169 -13.970 29 HA TYR 5 HA TYR 5 -6.775 -11.659 -15.296 30 HB2 TYR 5 HB3 TYR 5 -5.325 -12.536 -12.765 31 HB3 TYR 5 HB2 TYR 5 -5.394 -10.863 -13.311 32 HD1 TYR 5 HD1 TYR 5 -7.751 -9.812 -13.628 33 HD2 TYR 5 HD2 TYR 5 -7.072 -13.379 -11.361 34 HE1 TYR 5 HE1 TYR 5 -9.878 -9.475 -12.451 35 HE2 TYR 5 HE2 TYR 5 -9.209 -13.035 -10.189 36 HH TYR 5 HH TYR 5 -10.751 -11.236 -9.661 37 H GLN 6 H GLN 6 -4.185 -13.989 -14.772 38 HA GLN 6 HA GLN 6 -2.098 -12.258 -15.791 39 HB2 GLN 6 HB3 GLN 6 -0.581 -14.145 -15.338 40 HB3 GLN 6 HB2 GLN 6 -1.610 -13.810 -13.954 41 HG2 GLN 6 HG3 GLN 6 -3.086 -15.723 -14.706 42 HG3 GLN 6 HG2 GLN 6 -1.858 -16.113 -15.905 43 HE21 GLN 6 HE21 GLN 6 -2.672 -16.142 -12.522 44 HE22 GLN 6 HE22 GLN 6 -1.366 -17.147 -12.011 45 H ALA 7 H ALA 7 -4.004 -15.000 -17.043 46 HA ALA 7 HA ALA 7 -2.399 -15.393 -19.413 47 HB1 ALA 7 HB1 ALA 7 -3.695 -17.233 -18.383 48 HB2 ALA 7 HB2 ALA 7 -4.089 -17.012 -20.088 49 HB3 ALA 7 HB3 ALA 7 -5.192 -16.425 -18.841 50 H LEU 8 H LEU 8 -5.441 -13.702 -18.671 51 HA LEU 8 HA LEU 8 -5.818 -12.675 -21.347 52 HB2 LEU 8 HB3 LEU 8 -7.087 -12.106 -18.657 53 HB3 LEU 8 HB2 LEU 8 -7.315 -10.951 -19.956 54 HG LEU 8 HG LEU 8 -8.385 -12.704 -21.357 55 HD11 LEU 8 HD11 LEU 8 -7.267 -14.692 -20.515 56 HD12 LEU 8 HD12 LEU 8 -9.018 -14.874 -20.444 57 HD13 LEU 8 HD13 LEU 8 -8.108 -14.537 -18.970 58 HD21 LEU 8 HD21 LEU 8 -10.497 -12.869 -20.126 59 HD22 LEU 8 HD22 LEU 8 -9.792 -11.264 -19.955 60 HD23 LEU 8 HD23 LEU 8 -9.679 -12.420 -18.626 61 H LYS 9 H LYS 9 -4.265 -11.594 -18.379 62 HA LYS 9 HA LYS 9 -2.638 -10.125 -17.907 63 HB2 LYS 9 HB3 LYS 9 -1.514 -11.132 -19.881 64 HB3 LYS 9 HB2 LYS 9 -2.287 -9.958 -20.936 65 HG2 LYS 9 HG3 LYS 9 -1.011 -8.146 -19.844 66 HG3 LYS 9 HG2 LYS 9 -0.241 -9.326 -18.783 67 HD2 LYS 9 HD3 LYS 9 0.933 -10.342 -20.631 68 HD3 LYS 9 HD2 LYS 9 -0.013 -9.430 -21.813 69 HE2 LYS 9 HE3 LYS 9 2.297 -8.525 -21.501 70 HE3 LYS 9 HE2 LYS 9 1.041 -7.343 -21.124 71 HZ1 LYS 9 HZ1 LYS 9 2.491 -8.970 -19.104 72 HZ2 LYS 9 HZ2 LYS 9 1.387 -7.730 -18.789 73 HZ3 LYS 9 HZ3 LYS 9 2.871 -7.376 -19.512 74 H ARG 10 H ARG 10 -5.523 -9.240 -18.813 75 HA ARG 10 HA ARG 10 -5.170 -6.543 -19.757 76 HB2 ARG 10 HB3 ARG 10 -7.073 -7.806 -20.598 77 HB3 ARG 10 HB2 ARG 10 -7.692 -8.046 -18.970 78 HG2 ARG 10 HG3 ARG 10 -8.908 -6.286 -20.327 79 HG3 ARG 10 HG2 ARG 10 -8.313 -5.731 -18.761 80 HD2 ARG 10 HD3 ARG 10 -7.932 -4.040 -20.495 81 HD3 ARG 10 HD2 ARG 10 -6.403 -4.646 -19.869 82 HE ARG 10 HE ARG 10 -6.142 -5.932 -21.910 83 HH11 ARG 10 HH11 ARG 10 -8.582 -3.383 -22.054 84 HH12 ARG 10 HH12 ARG 10 -8.532 -3.282 -23.789 85 HH21 ARG 10 HH21 ARG 10 -6.085 -5.756 -24.182 86 HH22 ARG 10 HH22 ARG 10 -7.127 -4.620 -24.986 87 H ARG 11 H ARG 11 -3.999 -5.577 -18.172 88 HA ARG 11 HA ARG 11 -5.501 -4.614 -15.814 89 HB2 ARG 11 HB3 ARG 11 -2.530 -4.548 -16.527 90 HB3 ARG 11 HB2 ARG 11 -3.203 -3.510 -15.275 91 HG2 ARG 11 HG3 ARG 11 -2.151 -5.467 -14.281 92 HG3 ARG 11 HG2 ARG 11 -3.883 -5.486 -13.977 93 HD2 ARG 11 HD3 ARG 11 -4.176 -7.187 -15.748 94 HD3 ARG 11 HD2 ARG 11 -2.447 -7.148 -16.088 95 HE ARG 11 HE ARG 11 -2.091 -8.501 -14.304 96 HH11 ARG 11 HH11 ARG 11 -5.327 -7.138 -13.888 97 HH12 ARG 11 HH12 ARG 11 -5.675 -8.133 -12.519 98 HH21 ARG 11 HH21 ARG 11 -2.568 -9.741 -12.527 99 HH22 ARG 11 HH22 ARG 11 -4.110 -9.607 -11.748 100 H HIS 12 H HIS 12 -6.044 -2.409 -15.799 101 HA HIS 12 HA HIS 12 -6.436 -1.368 -18.470 102 HB2 HIS 12 HB3 HIS 12 -7.263 -0.101 -15.824 103 HB3 HIS 12 HB2 HIS 12 -7.874 0.319 -17.430 104 HD1 HIS 12 HD1 HIS 12 -8.510 -1.909 -14.601 105 HD2 HIS 12 HD2 HIS 12 -9.403 -1.894 -18.656 106 HE1 HIS 12 HE1 HIS 12 -10.321 -3.630 -14.900 107 HE2 HIS 12 HE2 HIS 12 -10.952 -3.449 -17.331 108 H THR 13 H THR 13 -5.736 0.533 -19.333 109 HA THR 13 HA THR 13 -3.171 1.536 -18.691 110 HB THR 13 HB THR 13 -5.320 2.823 -20.445 111 HG1 THR 13 HG1 THR 13 -4.556 1.527 -22.095 112 HG21 THR 13 HG21 THR 13 -3.342 4.292 -20.045 113 HG22 THR 13 HG22 THR 13 -3.455 3.790 -21.732 114 HG23 THR 13 HG23 THR 13 -2.282 3.021 -20.661 115 HA PRO 14 HA PRO 14 -4.102 4.566 -15.383 116 HB2 PRO 14 HB3 PRO 14 -2.210 6.509 -16.281 117 HB3 PRO 14 HB2 PRO 14 -1.906 5.206 -15.124 118 HG2 PRO 14 HG3 PRO 14 -1.371 5.270 -18.069 119 HG3 PRO 14 HG2 PRO 14 -0.375 4.590 -16.757 120 HD2 PRO 14 HD3 PRO 14 -1.784 2.948 -18.281 121 HD3 PRO 14 HD2 PRO 14 -1.768 2.690 -16.520 122 H GLU 15 H GLU 15 -6.230 5.043 -16.191 123 HA GLU 15 HA GLU 15 -6.496 7.509 -17.819 124 HB2 GLU 15 HB3 GLU 15 -7.520 5.489 -18.848 125 HB3 GLU 15 HB2 GLU 15 -8.498 5.237 -17.407 126 HG2 GLU 15 HG3 GLU 15 -9.546 7.531 -17.852 127 HG3 GLU 15 HG2 GLU 15 -8.713 7.518 -19.404 128 H ALA 16 H ALA 16 -8.668 5.833 -15.494 129 HA ALA 16 HA ALA 16 -9.268 8.469 -14.275 130 HB1 ALA 16 HB1 ALA 16 -11.166 7.438 -15.455 131 HB2 ALA 16 HB2 ALA 16 -11.476 7.548 -13.722 132 HB3 ALA 16 HB3 ALA 16 -11.036 5.998 -14.441 133 H GLU 17 H GLU 17 -9.829 5.140 -13.090 134 HA GLU 17 HA GLU 17 -7.943 5.291 -10.955 135 HB2 GLU 17 HB3 GLU 17 -10.042 6.882 -10.351 136 HB3 GLU 17 HB2 GLU 17 -10.789 5.358 -9.905 137 HG2 GLU 17 HG3 GLU 17 -8.952 4.926 -8.291 138 HG3 GLU 17 HG2 GLU 17 -8.207 6.459 -8.743 139 H ASN 18 H ASN 18 -9.124 3.538 -9.150 140 HA ASN 18 HA ASN 18 -8.524 1.036 -10.278 141 HB2 ASN 18 HB3 ASN 18 -10.088 1.459 -7.688 142 HB3 ASN 18 HB2 ASN 18 -9.008 0.121 -8.083 143 HD21 ASN 18 HD21 ASN 18 -8.853 1.756 -5.763 144 HD22 ASN 18 HD22 ASN 18 -7.344 2.596 -5.815 145 HA PRO 19 HA PRO 19 -12.407 -0.233 -12.107 146 HB2 PRO 19 HB3 PRO 19 -11.839 -3.080 -11.416 147 HB3 PRO 19 HB2 PRO 19 -11.930 -2.308 -13.011 148 HG2 PRO 19 HG3 PRO 19 -9.581 -3.136 -11.971 149 HG3 PRO 19 HG2 PRO 19 -9.703 -1.708 -13.023 150 HD2 PRO 19 HD3 PRO 19 -9.467 -1.822 -10.021 151 HD3 PRO 19 HD2 PRO 19 -8.671 -0.726 -11.175 152 H ALA 20 H ALA 20 -11.709 -2.291 -9.257 153 HA ALA 20 HA ALA 20 -13.509 -0.983 -7.523 154 HB1 ALA 20 HB1 ALA 20 -15.271 -2.188 -8.777 155 HB2 ALA 20 HB2 ALA 20 -15.165 -2.784 -7.118 156 HB3 ALA 20 HB3 ALA 20 -14.473 -3.725 -8.444 157 H GLU 21 H GLU 21 -12.741 -4.474 -7.773 158 HA GLU 21 HA GLU 21 -10.743 -4.280 -5.645 159 HB2 GLU 21 HB3 GLU 21 -12.034 -6.247 -4.456 160 HB3 GLU 21 HB2 GLU 21 -12.515 -4.582 -4.184 161 HG2 GLU 21 HG3 GLU 21 -14.444 -6.096 -4.423 162 HG3 GLU 21 HG2 GLU 21 -14.430 -4.839 -5.657 163 H ALA 22 H ALA 22 -12.029 -5.957 -8.373 164 HA ALA 22 HA ALA 22 -10.953 -8.533 -8.049 165 HB1 ALA 22 HB1 ALA 22 -11.455 -8.835 -10.439 166 HB2 ALA 22 HB2 ALA 22 -11.657 -7.092 -10.627 167 HB3 ALA 22 HB3 ALA 22 -12.775 -8.003 -9.613 168 H ASP 23 H ASP 23 -9.372 -5.616 -8.953 169 HA ASP 23 HA ASP 23 -7.015 -6.985 -10.080 170 HB2 ASP 23 HB3 ASP 23 -8.094 -5.047 -11.311 171 HB3 ASP 23 HB2 ASP 23 -7.704 -4.002 -9.953 172 H LEU 24 H LEU 24 -7.891 -6.868 -7.129 173 HA LEU 24 HA LEU 24 -6.296 -5.227 -5.527 174 HB2 LEU 24 HB3 LEU 24 -8.224 -6.707 -4.780 175 HB3 LEU 24 HB2 LEU 24 -7.155 -8.091 -4.904 176 HG LEU 24 HG LEU 24 -5.690 -6.988 -3.125 177 HD11 LEU 24 HD11 LEU 24 -6.446 -4.686 -3.344 178 HD12 LEU 24 HD12 LEU 24 -6.666 -5.259 -1.695 179 HD13 LEU 24 HD13 LEU 24 -8.056 -5.133 -2.775 180 HD21 LEU 24 HD21 LEU 24 -7.178 -8.845 -2.570 181 HD22 LEU 24 HD22 LEU 24 -8.513 -7.724 -2.293 182 HD23 LEU 24 HD23 LEU 24 -7.096 -7.693 -1.237 183 HA PRO 25 HA PRO 25 -2.157 -6.505 -6.572 184 HB2 PRO 25 HB3 PRO 25 -1.393 -5.740 -3.754 185 HB3 PRO 25 HB2 PRO 25 -0.750 -5.149 -5.304 186 HG2 PRO 25 HG3 PRO 25 -2.363 -3.607 -3.891 187 HG3 PRO 25 HG2 PRO 25 -2.546 -3.695 -5.657 188 HD2 PRO 25 HD3 PRO 25 -4.175 -5.065 -3.523 189 HD3 PRO 25 HD2 PRO 25 -4.720 -4.216 -4.989 190 H GLN 26 H GLN 26 -0.836 -8.255 -6.469 191 HA GLN 26 HA GLN 26 -1.259 -10.305 -4.367 192 HB2 GLN 26 HB3 GLN 26 -1.019 -10.759 -7.387 193 HB3 GLN 26 HB2 GLN 26 -0.980 -12.042 -6.184 194 HG2 GLN 26 HG3 GLN 26 -3.299 -11.369 -5.499 195 HG3 GLN 26 HG2 GLN 26 -3.318 -10.241 -6.850 196 HE21 GLN 26 HE21 GLN 26 -1.872 -12.059 -8.673 197 HE22 GLN 26 HE22 GLN 26 -3.005 -13.288 -9.099 198 H GLY 27 H GLY 27 0.604 -10.717 -3.384 199 HA2 GLY 27 HA3 GLY 27 2.915 -11.714 -3.998 200 HA3 GLY 27 HA2 GLY 27 3.196 -10.098 -4.651 201 H ASP 28 H ASP 28 4.852 -10.991 -2.710 202 HA ASP 28 HA ASP 28 4.066 -10.675 -0.023 203 HB2 ASP 28 HB3 ASP 28 6.832 -10.459 -1.291 204 HB3 ASP 28 HB2 ASP 28 6.568 -10.460 0.452 205 H ILE 29 H ILE 29 5.767 -8.400 -2.204 206 HA ILE 29 HA ILE 29 5.671 -6.302 -0.211 207 HB ILE 29 HB ILE 29 7.644 -6.438 -1.713 208 HG12 ILE 29 HG13 ILE 29 5.999 -3.873 -1.747 209 HG13 ILE 29 HG12 ILE 29 7.257 -4.326 -0.614 210 HG21 ILE 29 HG21 ILE 29 6.569 -7.133 -3.812 211 HG22 ILE 29 HG22 ILE 29 7.544 -5.683 -4.053 212 HG23 ILE 29 HG23 ILE 29 5.788 -5.557 -3.951 213 HD11 ILE 29 HD11 ILE 29 7.655 -3.580 -3.505 214 HD12 ILE 29 HD12 ILE 29 8.927 -4.072 -2.381 215 HD13 ILE 29 HD13 ILE 29 8.014 -2.593 -2.087 216 H GLU 30 H GLU 30 3.809 -7.179 -3.117 217 HA GLU 30 HA GLU 30 2.823 -4.636 -3.829 218 HB2 GLU 30 HB3 GLU 30 1.745 -7.441 -4.375 219 HB3 GLU 30 HB2 GLU 30 0.952 -5.993 -4.985 220 HG2 GLU 30 HG3 GLU 30 2.194 -6.644 -6.812 221 HG3 GLU 30 HG2 GLU 30 3.259 -5.454 -6.079 222 H LYS 31 H LYS 31 1.560 -7.096 -1.656 223 HA LYS 31 HA LYS 31 -0.947 -5.830 -1.129 224 HB2 LYS 31 HB3 LYS 31 -1.204 -7.515 0.628 225 HB3 LYS 31 HB2 LYS 31 -0.623 -8.252 -0.859 226 HG2 LYS 31 HG3 LYS 31 1.704 -8.238 0.115 227 HG3 LYS 31 HG2 LYS 31 1.012 -7.667 1.636 228 HD2 LYS 31 HD3 LYS 31 0.380 -10.310 0.255 229 HD3 LYS 31 HD2 LYS 31 1.354 -10.101 1.710 230 HE2 LYS 31 HE3 LYS 31 -0.615 -9.272 2.933 231 HE3 LYS 31 HE2 LYS 31 -1.595 -9.416 1.472 232 HZ1 LYS 31 HZ1 LYS 31 -0.267 -11.673 2.872 233 HZ2 LYS 31 HZ2 LYS 31 -1.237 -11.796 1.495 234 HZ3 LYS 31 HZ3 LYS 31 -1.913 -11.297 2.961 235 H GLN 32 H GLN 32 2.270 -5.612 0.335 236 HA GLN 32 HA GLN 32 1.450 -4.117 2.658 237 HB2 GLN 32 HB3 GLN 32 3.523 -5.485 2.656 238 HB3 GLN 32 HB2 GLN 32 4.230 -4.430 1.437 239 HG2 GLN 32 HG3 GLN 32 4.132 -2.538 3.030 240 HG3 GLN 32 HG2 GLN 32 3.430 -3.603 4.244 241 HE21 GLN 32 HE21 GLN 32 6.081 -4.449 2.042 242 HE22 GLN 32 HE22 GLN 32 7.275 -4.607 3.274 243 H VAL 33 H VAL 33 2.799 -3.311 -0.526 244 HA VAL 33 HA VAL 33 2.967 -0.498 -0.240 245 HB VAL 33 HB VAL 33 2.474 -2.134 -2.789 246 HG11 VAL 33 HG11 VAL 33 1.891 0.233 -3.156 247 HG12 VAL 33 HG12 VAL 33 3.357 -0.192 -4.038 248 HG13 VAL 33 HG13 VAL 33 3.468 0.733 -2.539 249 HG21 VAL 33 HG21 VAL 33 4.890 -1.970 -3.184 250 HG22 VAL 33 HG22 VAL 33 4.570 -2.762 -1.640 251 HG23 VAL 33 HG23 VAL 33 5.094 -1.079 -1.672 252 H ALA 34 H ALA 34 0.351 -2.694 -1.218 253 HA ALA 34 HA ALA 34 -1.651 -0.845 -1.859 254 HB1 ALA 34 HB1 ALA 34 -2.010 -3.579 -0.585 255 HB2 ALA 34 HB2 ALA 34 -1.828 -3.264 -2.309 256 HB3 ALA 34 HB3 ALA 34 -3.244 -2.653 -1.455 257 H ALA 35 H ALA 35 -0.816 -2.362 1.248 258 HA ALA 35 HA ALA 35 -2.750 -1.166 2.884 259 HB1 ALA 35 HB1 ALA 35 0.059 -2.049 3.624 260 HB2 ALA 35 HB2 ALA 35 -1.372 -3.077 3.591 261 HB3 ALA 35 HB3 ALA 35 -1.270 -1.759 4.760 262 H LEU 36 H LEU 36 0.561 -0.126 2.070 263 HA LEU 36 HA LEU 36 0.628 2.158 3.751 264 HB2 LEU 36 HB3 LEU 36 2.354 1.376 1.370 265 HB3 LEU 36 HB2 LEU 36 2.680 2.779 2.377 266 HG LEU 36 HG LEU 36 2.707 -0.116 3.325 267 HD11 LEU 36 HD11 LEU 36 5.030 1.794 2.915 268 HD12 LEU 36 HD12 LEU 36 4.631 0.409 1.897 269 HD13 LEU 36 HD13 LEU 36 5.130 0.155 3.567 270 HD21 LEU 36 HD21 LEU 36 3.582 0.756 5.452 271 HD22 LEU 36 HD22 LEU 36 1.960 1.358 5.123 272 HD23 LEU 36 HD23 LEU 36 3.357 2.410 4.878 273 H TRP 37 H TRP 37 -0.303 1.731 0.343 274 HA TRP 37 HA TRP 37 -0.608 4.537 -0.225 275 HB2 TRP 37 HB3 TRP 37 -1.653 2.043 -1.628 276 HB3 TRP 37 HB2 TRP 37 -2.041 3.666 -2.192 277 HD1 TRP 37 HD1 TRP 37 1.521 2.922 -0.968 278 HE1 TRP 37 HE1 TRP 37 3.106 2.989 -2.978 279 HE3 TRP 37 HE3 TRP 37 -1.905 3.341 -4.716 280 HZ2 TRP 37 HZ2 TRP 37 2.968 3.182 -5.758 281 HZ3 TRP 37 HZ3 TRP 37 -1.090 3.464 -7.027 282 HH2 TRP 37 HH2 TRP 37 1.292 3.386 -7.546 283 H GLN 38 H GLN 38 -2.696 2.017 1.092 284 HA GLN 38 HA GLN 38 -5.088 3.620 1.074 285 HB2 GLN 38 HB3 GLN 38 -4.413 0.992 2.446 286 HB3 GLN 38 HB2 GLN 38 -5.987 1.777 2.601 287 HG2 GLN 38 HG3 GLN 38 -6.290 1.678 0.149 288 HG3 GLN 38 HG2 GLN 38 -4.713 0.910 -0.011 289 HE21 GLN 38 HE21 GLN 38 -5.587 -0.897 -1.042 290 HE22 GLN 38 HE22 GLN 38 -6.540 -2.075 -0.212 291 H GLN 39 H GLN 39 -2.375 3.316 3.264 292 HA GLN 39 HA GLN 39 -3.728 4.683 5.459 293 HB2 GLN 39 HB3 GLN 39 -0.770 3.992 5.143 294 HB3 GLN 39 HB2 GLN 39 -1.521 4.626 6.599 295 HG2 GLN 39 HG3 GLN 39 -1.892 1.900 5.363 296 HG3 GLN 39 HG2 GLN 39 -1.196 2.279 6.928 297 HE21 GLN 39 HE21 GLN 39 -4.125 1.774 5.145 298 HE22 GLN 39 HE22 GLN 39 -5.199 1.808 6.496 299 H LEU 40 H LEU 40 -0.806 5.425 3.503 300 HA LEU 40 HA LEU 40 -0.390 8.051 4.250 301 HB2 LEU 40 HB3 LEU 40 0.396 6.402 1.849 302 HB3 LEU 40 HB2 LEU 40 0.748 8.117 1.824 303 HG LEU 40 HG LEU 40 2.697 6.793 2.508 304 HD11 LEU 40 HD11 LEU 40 1.687 8.524 4.782 305 HD12 LEU 40 HD12 LEU 40 2.514 9.091 3.329 306 HD13 LEU 40 HD13 LEU 40 3.368 8.071 4.481 307 HD21 LEU 40 HD21 LEU 40 1.629 4.885 3.603 308 HD22 LEU 40 HD22 LEU 40 1.119 5.910 4.944 309 HD23 LEU 40 HD23 LEU 40 2.836 5.615 4.660 310 H LEU 41 H LEU 41 -2.128 6.916 1.314 311 HA LEU 41 HA LEU 41 -2.891 9.599 0.528 312 HB2 LEU 41 HB3 LEU 41 -3.890 6.944 -0.572 313 HB3 LEU 41 HB2 LEU 41 -4.064 8.513 -1.336 314 HG LEU 41 HG LEU 41 -1.481 6.991 -0.930 315 HD11 LEU 41 HD11 LEU 41 -2.984 7.592 -3.487 316 HD12 LEU 41 HD12 LEU 41 -2.851 6.022 -2.691 317 HD13 LEU 41 HD13 LEU 41 -1.415 6.785 -3.370 318 HD21 LEU 41 HD21 LEU 41 -0.405 8.779 -2.250 319 HD22 LEU 41 HD22 LEU 41 -1.031 9.362 -0.712 320 HD23 LEU 41 HD23 LEU 41 -1.908 9.701 -2.208 321 H SER 42 H SER 42 -4.133 7.276 2.668 322 HA SER 42 HA SER 42 -5.984 6.996 3.896 323 HB2 SER 42 HB3 SER 42 -6.604 9.882 3.112 324 HB3 SER 42 HB2 SER 42 -7.375 8.996 4.432 325 HG SER 42 HG SER 42 -4.623 9.648 4.191 326 H THR 43 H THR 43 -6.103 5.794 1.543 327 HA THR 43 HA THR 43 -8.709 6.333 0.258 328 HB THR 43 HB THR 43 -7.944 4.860 -1.566 329 HG1 THR 43 HG1 THR 43 -5.357 4.529 -0.689 330 HG21 THR 43 HG21 THR 43 -5.719 6.780 -0.790 331 HG22 THR 43 HG22 THR 43 -7.167 7.207 -1.697 332 HG23 THR 43 HG23 THR 43 -5.979 6.108 -2.396 333 H GLY 44 H GLY 44 -10.291 4.712 0.109 334 HA2 GLY 44 HA3 GLY 44 -10.514 2.857 2.260 335 HA3 GLY 44 HA2 GLY 44 -11.584 2.978 0.873 336 H ASN 45 H ASN 45 -9.693 2.528 -1.162 337 HA ASN 45 HA ASN 45 -8.308 0.048 -0.709 338 HB2 ASN 45 HB3 ASN 45 -10.599 -0.829 -0.975 339 HB3 ASN 45 HB2 ASN 45 -10.791 0.046 -2.490 340 HD21 ASN 45 HD21 ASN 45 -9.078 -2.598 -0.917 341 HD22 ASN 45 HD22 ASN 45 -8.684 -3.447 -2.369 342 H VAL 46 H VAL 46 -6.720 -0.239 -2.121 343 HA VAL 46 HA VAL 46 -6.737 1.120 -4.739 344 HB VAL 46 HB VAL 46 -4.259 1.335 -4.652 345 HG11 VAL 46 HG11 VAL 46 -5.629 3.286 -4.064 346 HG12 VAL 46 HG12 VAL 46 -4.121 3.282 -3.154 347 HG13 VAL 46 HG13 VAL 46 -5.627 2.803 -2.365 348 HG21 VAL 46 HG21 VAL 46 -3.032 1.107 -2.516 349 HG22 VAL 46 HG22 VAL 46 -3.728 -0.425 -3.037 350 HG23 VAL 46 HG23 VAL 46 -4.494 0.493 -1.741 351 H THR 47 H THR 47 -6.028 -0.098 -6.416 352 HA THR 47 HA THR 47 -5.577 -2.980 -6.037 353 HB THR 47 HB THR 47 -6.195 -3.105 -8.454 354 HG1 THR 47 HG1 THR 47 -6.321 -1.328 -9.604 355 HG21 THR 47 HG21 THR 47 -8.612 -2.556 -8.180 356 HG22 THR 47 HG22 THR 47 -8.235 -1.648 -6.712 357 HG23 THR 47 HG23 THR 47 -7.976 -3.395 -6.767 358 H ARG 48 H ARG 48 -4.217 -3.729 -8.273 359 HA ARG 48 HA ARG 48 -1.560 -2.719 -7.653 360 HB2 ARG 48 HB3 ARG 48 -0.727 -4.561 -9.148 361 HB3 ARG 48 HB2 ARG 48 -1.708 -5.097 -7.802 362 HG2 ARG 48 HG3 ARG 48 -2.804 -6.380 -9.301 363 HG3 ARG 48 HG2 ARG 48 -3.599 -4.895 -9.796 364 HD2 ARG 48 HD3 ARG 48 -1.169 -6.170 -11.078 365 HD3 ARG 48 HD2 ARG 48 -2.808 -6.126 -11.731 366 HE ARG 48 HE ARG 48 -2.454 -3.594 -11.722 367 HH11 ARG 48 HH11 ARG 48 0.059 -5.950 -12.449 368 HH12 ARG 48 HH12 ARG 48 0.977 -4.856 -13.435 369 HH21 ARG 48 HH21 ARG 48 -1.162 -2.120 -12.926 370 HH22 ARG 48 HH22 ARG 48 0.285 -2.676 -13.704 371 H GLU 49 H GLU 49 -3.917 -2.157 -10.112 372 HA GLU 49 HA GLU 49 -2.003 -0.887 -11.948 373 HB2 GLU 49 HB3 GLU 49 -3.836 -0.596 -13.483 374 HB3 GLU 49 HB2 GLU 49 -3.988 -2.218 -12.815 375 HG2 GLU 49 HG3 GLU 49 -5.709 -1.407 -11.251 376 HG3 GLU 49 HG2 GLU 49 -5.571 0.206 -11.921 377 H THR 50 H THR 50 -3.423 0.011 -9.097 378 HA THR 50 HA THR 50 -4.316 2.643 -9.525 379 HB THR 50 HB THR 50 -2.829 1.599 -7.073 380 HG1 THR 50 HG1 THR 50 -5.345 1.138 -8.084 381 HG21 THR 50 HG21 THR 50 -4.101 3.323 -5.838 382 HG22 THR 50 HG22 THR 50 -4.819 3.894 -7.343 383 HG23 THR 50 HG23 THR 50 -3.084 4.075 -7.070 384 H ASP 51 H ASP 51 -3.205 4.354 -10.254 385 HA ASP 51 HA ASP 51 -0.272 4.506 -10.135 386 HB2 ASP 51 HB3 ASP 51 -2.327 6.374 -11.395 387 HB3 ASP 51 HB2 ASP 51 -0.583 6.559 -11.520 388 H PHE 52 H PHE 52 0.771 5.746 -8.668 389 HA PHE 52 HA PHE 52 -0.474 6.504 -6.298 390 HB2 PHE 52 HB3 PHE 52 1.977 5.933 -6.593 391 HB3 PHE 52 HB2 PHE 52 2.224 7.518 -7.314 392 HD1 PHE 52 HD1 PHE 52 1.282 5.753 -4.194 393 HD2 PHE 52 HD2 PHE 52 2.483 9.481 -5.911 394 HE1 PHE 52 HE1 PHE 52 1.614 6.682 -1.947 395 HE2 PHE 52 HE2 PHE 52 2.809 10.402 -3.654 396 HZ PHE 52 HZ PHE 52 2.374 9.006 -1.678 397 H PHE 53 H PHE 53 0.839 8.576 -8.867 398 HA PHE 53 HA PHE 53 0.143 11.057 -7.690 399 HB2 PHE 53 HB3 PHE 53 0.893 10.350 -10.562 400 HB3 PHE 53 HB2 PHE 53 0.763 11.999 -9.949 401 HD1 PHE 53 HD1 PHE 53 2.844 8.965 -10.019 402 HD2 PHE 53 HD2 PHE 53 2.382 12.836 -8.242 403 HE1 PHE 53 HE1 PHE 53 5.155 8.868 -9.178 404 HE2 PHE 53 HE2 PHE 53 4.697 12.719 -7.419 405 HZ PHE 53 HZ PHE 53 6.077 10.735 -7.877 406 H GLN 54 H GLN 54 -1.401 9.026 -10.120 407 HA GLN 54 HA GLN 54 -3.496 10.756 -10.912 408 HB2 GLN 54 HB3 GLN 54 -2.815 8.877 -12.276 409 HB3 GLN 54 HB2 GLN 54 -3.196 7.735 -10.995 410 HG2 GLN 54 HG3 GLN 54 -5.608 8.273 -11.260 411 HG3 GLN 54 HG2 GLN 54 -5.206 9.377 -12.576 412 HE21 GLN 54 HE21 GLN 54 -5.327 6.008 -11.596 413 HE22 GLN 54 HE22 GLN 54 -5.204 5.339 -13.182 414 H GLN 55 H GLN 55 -3.218 8.383 -8.318 415 HA GLN 55 HA GLN 55 -5.961 8.253 -7.524 416 HB2 GLN 55 HB3 GLN 55 -4.150 6.541 -7.032 417 HB3 GLN 55 HB2 GLN 55 -3.471 7.651 -5.850 418 HG2 GLN 55 HG3 GLN 55 -4.758 6.027 -4.647 419 HG3 GLN 55 HG2 GLN 55 -5.670 7.533 -4.607 420 HE21 GLN 55 HE21 GLN 55 -7.629 6.456 -4.206 421 HE22 GLN 55 HE22 GLN 55 -8.440 5.531 -5.419 422 H GLY 56 H GLY 56 -3.465 10.587 -6.991 423 HA2 GLY 56 HA3 GLY 56 -4.325 12.814 -6.282 424 HA3 GLY 56 HA2 GLY 56 -5.055 11.997 -4.908 425 H GLY 57 H GLY 57 -2.134 10.508 -5.512 426 HA2 GLY 57 HA3 GLY 57 -0.814 11.618 -3.222 427 HA3 GLY 57 HA2 GLY 57 -0.170 10.421 -4.334 428 H ASP 58 H ASP 58 0.977 12.904 -3.100 429 HA ASP 58 HA ASP 58 1.646 14.518 -5.488 430 HB2 ASP 58 HB3 ASP 58 0.768 15.712 -3.481 431 HB3 ASP 58 HB2 ASP 58 2.082 15.060 -2.509 432 H SER 59 H SER 59 4.019 15.198 -5.603 433 HA SER 59 HA SER 59 5.805 13.018 -5.647 434 HB2 SER 59 HB3 SER 59 7.542 14.859 -6.050 435 HB3 SER 59 HB2 SER 59 6.178 14.840 -7.161 436 HG SER 59 HG SER 59 5.574 16.727 -6.464 437 H LEU 60 H LEU 60 5.421 15.666 -3.290 438 HA LEU 60 HA LEU 60 7.509 14.971 -1.527 439 HB2 LEU 60 HB3 LEU 60 6.372 17.149 -1.449 440 HB3 LEU 60 HB2 LEU 60 4.866 16.376 -0.984 441 HG LEU 60 HG LEU 60 5.850 15.725 1.198 442 HD11 LEU 60 HD11 LEU 60 8.044 16.557 1.910 443 HD12 LEU 60 HD12 LEU 60 8.348 17.168 0.283 444 HD13 LEU 60 HD13 LEU 60 8.171 15.433 0.559 445 HD21 LEU 60 HD21 LEU 60 5.991 17.953 2.220 446 HD22 LEU 60 HD22 LEU 60 4.670 17.867 1.058 447 HD23 LEU 60 HD23 LEU 60 6.170 18.690 0.624 448 H LEU 61 H LEU 61 4.093 14.018 -1.649 449 HA LEU 61 HA LEU 61 4.014 12.319 0.617 450 HB2 LEU 61 HB3 LEU 61 2.147 13.341 -1.099 451 HB3 LEU 61 HB2 LEU 61 2.241 11.719 -1.748 452 HG LEU 61 HG LEU 61 1.534 12.395 1.141 453 HD11 LEU 61 HD11 LEU 61 -0.784 11.821 0.543 454 HD12 LEU 61 HD12 LEU 61 -0.311 11.652 -1.149 455 HD13 LEU 61 HD13 LEU 61 -0.197 13.223 -0.352 456 HD21 LEU 61 HD21 LEU 61 0.801 10.060 1.333 457 HD22 LEU 61 HD22 LEU 61 2.517 10.160 0.944 458 HD23 LEU 61 HD23 LEU 61 1.353 9.741 -0.315 459 H ALA 62 H ALA 62 5.014 11.848 -2.713 460 HA ALA 62 HA ALA 62 5.213 9.009 -2.751 461 HB1 ALA 62 HB1 ALA 62 4.996 10.348 -4.792 462 HB2 ALA 62 HB2 ALA 62 6.461 9.368 -4.850 463 HB3 ALA 62 HB3 ALA 62 6.566 11.095 -4.496 464 H THR 63 H THR 63 7.434 11.615 -1.879 465 HA THR 63 HA THR 63 9.823 10.088 -1.626 466 HB THR 63 HB THR 63 9.111 12.668 -0.135 467 HG1 THR 63 HG1 THR 63 9.145 12.319 -2.727 468 HG21 THR 63 HG21 THR 63 11.240 11.598 0.606 469 HG22 THR 63 HG22 THR 63 11.546 13.118 -0.239 470 HG23 THR 63 HG23 THR 63 11.800 11.582 -1.069 471 H ARG 64 H ARG 64 7.087 10.765 0.502 472 HA ARG 64 HA ARG 64 8.240 9.660 2.891 473 HB2 ARG 64 HB3 ARG 64 5.263 10.059 2.348 474 HB3 ARG 64 HB2 ARG 64 6.073 9.941 3.911 475 HG2 ARG 64 HG3 ARG 64 7.376 12.074 3.153 476 HG3 ARG 64 HG2 ARG 64 6.099 12.228 1.948 477 HD2 ARG 64 HD3 ARG 64 4.414 12.271 3.778 478 HD3 ARG 64 HD2 ARG 64 5.724 12.184 4.963 479 HE ARG 64 HE ARG 64 4.786 14.491 3.638 480 HH11 ARG 64 HH11 ARG 64 7.874 13.114 4.693 481 HH12 ARG 64 HH12 ARG 64 8.636 14.670 4.814 482 HH21 ARG 64 HH21 ARG 64 5.831 16.478 3.780 483 HH22 ARG 64 HH22 ARG 64 7.490 16.551 4.300 484 H LEU 65 H LEU 65 6.055 8.493 0.356 485 HA LEU 65 HA LEU 65 5.262 6.060 1.499 486 HB2 LEU 65 HB3 LEU 65 4.271 7.285 -0.527 487 HB3 LEU 65 HB2 LEU 65 5.578 6.624 -1.486 488 HG LEU 65 HG LEU 65 3.349 5.416 -1.691 489 HD11 LEU 65 HD11 LEU 65 5.412 4.265 -2.373 490 HD12 LEU 65 HD12 LEU 65 4.213 3.147 -1.731 491 HD13 LEU 65 HD13 LEU 65 5.597 3.616 -0.741 492 HD21 LEU 65 HD21 LEU 65 3.922 4.466 1.137 493 HD22 LEU 65 HD22 LEU 65 2.599 3.927 0.099 494 HD23 LEU 65 HD23 LEU 65 2.651 5.594 0.661 495 H THR 66 H THR 66 7.945 6.830 -0.694 496 HA THR 66 HA THR 66 9.052 4.237 -0.934 497 HB THR 66 HB THR 66 11.126 5.509 -1.676 498 HG1 THR 66 HG1 THR 66 10.814 7.814 -1.885 499 HG21 THR 66 HG21 THR 66 10.066 6.506 -3.689 500 HG22 THR 66 HG22 THR 66 8.485 6.371 -2.918 501 HG23 THR 66 HG23 THR 66 9.403 4.917 -3.319 502 H GLY 67 H GLY 67 9.644 6.900 1.316 503 HA2 GLY 67 HA3 GLY 67 11.710 5.851 2.888 504 HA3 GLY 67 HA2 GLY 67 10.491 6.988 3.444 505 H GLN 68 H GLN 68 8.197 5.331 3.111 506 HA GLN 68 HA GLN 68 8.203 3.759 5.493 507 HB2 GLN 68 HB3 GLN 68 6.201 4.634 3.508 508 HB3 GLN 68 HB2 GLN 68 5.905 2.981 4.024 509 HG2 GLN 68 HG3 GLN 68 4.621 4.528 5.389 510 HG3 GLN 68 HG2 GLN 68 5.833 3.717 6.377 511 HE21 GLN 68 HE21 GLN 68 5.928 5.305 7.974 512 HE22 GLN 68 HE22 GLN 68 6.537 6.894 7.688 513 H LEU 69 H LEU 69 8.475 2.952 2.048 514 HA LEU 69 HA LEU 69 8.499 0.115 2.406 515 HB2 LEU 69 HB3 LEU 69 9.422 1.887 0.122 516 HB3 LEU 69 HB2 LEU 69 9.591 0.136 0.065 517 HG LEU 69 HG LEU 69 6.941 1.609 0.371 518 HD11 LEU 69 HD11 LEU 69 6.467 0.920 -1.920 519 HD12 LEU 69 HD12 LEU 69 8.075 0.204 -2.061 520 HD13 LEU 69 HD13 LEU 69 7.898 1.948 -1.852 521 HD21 LEU 69 HD21 LEU 69 6.902 -0.589 1.460 522 HD22 LEU 69 HD22 LEU 69 7.486 -1.356 -0.018 523 HD23 LEU 69 HD23 LEU 69 5.898 -0.587 0.012 524 H HIS 70 H HIS 70 11.001 2.588 2.598 525 HA HIS 70 HA HIS 70 13.300 0.931 2.597 526 HB2 HIS 70 HB3 HIS 70 12.837 3.610 3.989 527 HB3 HIS 70 HB2 HIS 70 14.406 2.818 3.888 528 HD1 HIS 70 HD1 HIS 70 13.482 5.646 2.596 529 HD2 HIS 70 HD2 HIS 70 14.122 2.037 0.653 530 HE1 HIS 70 HE1 HIS 70 14.009 6.245 0.215 531 HE2 HIS 70 HE2 HIS 70 14.551 4.061 -0.894 532 H GLN 71 H GLN 71 11.041 1.878 5.117 533 HA GLN 71 HA GLN 71 12.357 0.698 7.359 534 HB2 GLN 71 HB3 GLN 71 9.366 1.196 7.021 535 HB3 GLN 71 HB2 GLN 71 10.250 1.036 8.540 536 HG2 GLN 71 HG3 GLN 71 11.501 3.125 7.992 537 HG3 GLN 71 HG2 GLN 71 10.531 3.289 6.537 538 HE21 GLN 71 HE21 GLN 71 10.769 5.048 8.911 539 HE22 GLN 71 HE22 GLN 71 9.149 5.269 9.456 540 H ALA 72 H ALA 72 10.157 -0.452 4.912 541 HA ALA 72 HA ALA 72 9.612 -3.041 6.082 542 HB1 ALA 72 HB1 ALA 72 8.448 -3.452 3.936 543 HB2 ALA 72 HB2 ALA 72 9.100 -1.940 3.294 544 HB3 ALA 72 HB3 ALA 72 7.977 -1.911 4.655 545 H GLY 73 H GLY 73 12.375 -1.800 4.708 546 HA2 GLY 73 HA3 GLY 73 14.378 -2.833 4.210 547 HA3 GLY 73 HA2 GLY 73 13.596 -4.399 4.348 548 H TYR 74 H TYR 74 12.307 -1.933 2.283 549 HA TYR 74 HA TYR 74 13.403 -3.208 -0.153 550 HB2 TYR 74 HB3 TYR 74 10.691 -1.847 0.250 551 HB3 TYR 74 HB2 TYR 74 11.306 -2.402 -1.305 552 HD1 TYR 74 HD1 TYR 74 9.449 -3.350 1.631 553 HD2 TYR 74 HD2 TYR 74 11.825 -4.939 -1.552 554 HE1 TYR 74 HE1 TYR 74 8.451 -5.572 1.993 555 HE2 TYR 74 HE2 TYR 74 10.829 -7.155 -1.189 556 HH TYR 74 HH TYR 74 8.075 -7.677 0.723 557 H GLU 75 H GLU 75 14.724 -1.895 -1.261 558 HA GLU 75 HA GLU 75 14.976 0.915 -0.663 559 HB2 GLU 75 HB3 GLU 75 16.826 -0.841 -1.468 560 HB3 GLU 75 HB2 GLU 75 16.294 -0.383 -3.074 561 HG2 GLU 75 HG3 GLU 75 17.499 1.440 -0.969 562 HG3 GLU 75 HG2 GLU 75 18.266 0.891 -2.446 563 H ALA 76 H ALA 76 13.939 2.534 -1.749 564 HA ALA 76 HA ALA 76 12.446 2.093 -4.221 565 HB1 ALA 76 HB1 ALA 76 10.307 2.772 -3.184 566 HB2 ALA 76 HB2 ALA 76 11.086 2.806 -1.598 567 HB3 ALA 76 HB3 ALA 76 10.926 1.282 -2.472 568 H GLN 77 H GLN 77 12.175 3.994 -5.361 569 HA GLN 77 HA GLN 77 12.870 6.559 -4.064 570 HB2 GLN 77 HB3 GLN 77 14.042 5.502 -6.674 571 HB3 GLN 77 HB2 GLN 77 14.148 7.187 -6.182 572 HG2 GLN 77 HG3 GLN 77 15.337 4.828 -4.686 573 HG3 GLN 77 HG2 GLN 77 16.230 5.996 -5.663 574 HE21 GLN 77 HE21 GLN 77 16.369 5.287 -2.762 575 HE22 GLN 77 HE22 GLN 77 16.222 6.791 -1.923 576 H LEU 78 H LEU 78 12.046 8.397 -4.994 577 HA LEU 78 HA LEU 78 9.410 8.381 -5.967 578 HB2 LEU 78 HB3 LEU 78 10.864 10.202 -4.711 579 HB3 LEU 78 HB2 LEU 78 11.333 10.715 -6.314 580 HG LEU 78 HG LEU 78 8.553 10.820 -5.072 581 HD11 LEU 78 HD11 LEU 78 8.784 13.245 -5.320 582 HD12 LEU 78 HD12 LEU 78 10.409 13.035 -5.980 583 HD13 LEU 78 HD13 LEU 78 10.062 12.565 -4.315 584 HD21 LEU 78 HD21 LEU 78 8.245 10.276 -7.438 585 HD22 LEU 78 HD22 LEU 78 9.266 11.638 -7.901 586 HD23 LEU 78 HD23 LEU 78 7.722 11.924 -7.094 587 H SER 79 H SER 79 12.554 8.678 -7.531 588 HA SER 79 HA SER 79 12.014 9.295 -10.146 589 HB2 SER 79 HB3 SER 79 14.003 7.184 -9.209 590 HB3 SER 79 HB2 SER 79 14.115 8.161 -10.675 591 HG SER 79 HG SER 79 15.216 8.745 -8.448 592 H ASP 80 H ASP 80 11.910 6.106 -8.601 593 HA ASP 80 HA ASP 80 11.003 4.664 -10.913 594 HB2 ASP 80 HB3 ASP 80 11.241 3.891 -7.976 595 HB3 ASP 80 HB2 ASP 80 10.703 2.770 -9.218 596 H LEU 81 H LEU 81 9.391 6.298 -8.246 597 HA LEU 81 HA LEU 81 6.795 5.148 -8.675 598 HB2 LEU 81 HB3 LEU 81 7.921 7.309 -6.961 599 HB3 LEU 81 HB2 LEU 81 6.266 7.614 -7.448 600 HG LEU 81 HG LEU 81 7.199 5.097 -6.011 601 HD11 LEU 81 HD11 LEU 81 6.124 5.977 -4.027 602 HD12 LEU 81 HD12 LEU 81 5.635 7.437 -4.892 603 HD13 LEU 81 HD13 LEU 81 7.345 7.116 -4.594 604 HD21 LEU 81 HD21 LEU 81 5.236 4.682 -7.430 605 HD22 LEU 81 HD22 LEU 81 4.386 6.033 -6.677 606 HD23 LEU 81 HD23 LEU 81 4.806 4.609 -5.722 607 H PHE 82 H PHE 82 8.512 7.826 -10.113 608 HA PHE 82 HA PHE 82 6.139 8.942 -11.399 609 HB2 PHE 82 HB3 PHE 82 8.140 10.299 -10.477 610 HB3 PHE 82 HB2 PHE 82 9.037 9.761 -11.893 611 HD1 PHE 82 HD1 PHE 82 6.113 11.741 -10.730 612 HD2 PHE 82 HD2 PHE 82 8.616 10.783 -14.073 613 HE1 PHE 82 HE1 PHE 82 5.129 13.597 -12.007 614 HE2 PHE 82 HE2 PHE 82 7.627 12.648 -15.337 615 HZ PHE 82 HZ PHE 82 5.885 14.056 -14.308 616 H ASN 83 H ASN 83 9.036 7.098 -12.235 617 HA ASN 83 HA ASN 83 8.526 6.871 -15.054 618 HB2 ASN 83 HB3 ASN 83 10.806 6.744 -14.059 619 HB3 ASN 83 HB2 ASN 83 10.372 5.262 -13.218 620 HD21 ASN 83 HD21 ASN 83 12.091 4.179 -14.244 621 HD22 ASN 83 HD22 ASN 83 12.022 3.709 -15.903 622 H HIS 84 H HIS 84 7.663 5.022 -12.198 623 HA HIS 84 HA HIS 84 5.926 3.234 -13.801 624 HB2 HIS 84 HB3 HIS 84 7.458 2.299 -11.333 625 HB3 HIS 84 HB2 HIS 84 6.457 1.316 -12.388 626 HD1 HIS 84 HD1 HIS 84 7.622 0.170 -14.307 627 HD2 HIS 84 HD2 HIS 84 9.998 3.063 -12.509 628 HE1 HIS 84 HE1 HIS 84 9.907 -0.104 -15.301 629 HE2 HIS 84 HE2 HIS 84 11.332 1.619 -14.173 630 HA PRO 85 HA PRO 85 3.703 5.682 -10.501 631 HB2 PRO 85 HB3 PRO 85 1.499 5.745 -12.517 632 HB3 PRO 85 HB2 PRO 85 2.266 7.084 -11.635 633 HG2 PRO 85 HG3 PRO 85 2.736 6.718 -14.244 634 HG3 PRO 85 HG2 PRO 85 4.033 7.261 -13.153 635 HD2 PRO 85 HD3 PRO 85 3.507 4.480 -14.219 636 HD3 PRO 85 HD2 PRO 85 5.042 5.374 -14.105 637 H ARG 86 H ARG 86 2.448 2.914 -12.422 638 HA ARG 86 HA ARG 86 0.357 2.216 -10.648 639 HB2 ARG 86 HB3 ARG 86 1.855 0.610 -12.706 640 HB3 ARG 86 HB2 ARG 86 0.841 -0.242 -11.552 641 HG2 ARG 86 HG3 ARG 86 -0.642 0.015 -13.277 642 HG3 ARG 86 HG2 ARG 86 -1.008 1.461 -12.337 643 HD2 ARG 86 HD3 ARG 86 -0.919 2.034 -14.671 644 HD3 ARG 86 HD2 ARG 86 0.476 2.739 -13.856 645 HE ARG 86 HE ARG 86 1.887 1.171 -14.907 646 HH11 ARG 86 HH11 ARG 86 -1.449 0.798 -15.944 647 HH12 ARG 86 HH12 ARG 86 -1.046 -0.159 -17.329 648 HH21 ARG 86 HH21 ARG 86 2.412 -0.154 -16.662 649 HH22 ARG 86 HH22 ARG 86 1.162 -0.703 -17.736 650 H LEU 87 H LEU 87 0.193 0.591 -9.148 651 HA LEU 87 HA LEU 87 2.084 0.638 -7.096 652 HB2 LEU 87 HB3 LEU 87 -0.381 0.419 -6.898 653 HB3 LEU 87 HB2 LEU 87 -0.299 -1.209 -7.532 654 HG LEU 87 HG LEU 87 1.161 -0.514 -4.960 655 HD11 LEU 87 HD11 LEU 87 -0.823 -1.139 -3.658 656 HD12 LEU 87 HD12 LEU 87 -1.778 -1.254 -5.137 657 HD13 LEU 87 HD13 LEU 87 -1.121 0.303 -4.626 658 HD21 LEU 87 HD21 LEU 87 1.638 -2.710 -5.944 659 HD22 LEU 87 HD22 LEU 87 -0.080 -3.098 -5.967 660 HD23 LEU 87 HD23 LEU 87 0.759 -2.894 -4.426 661 H ALA 88 H ALA 88 1.174 -2.024 -9.323 662 HA ALA 88 HA ALA 88 3.098 -3.885 -8.298 663 HB1 ALA 88 HB1 ALA 88 2.430 -5.311 -10.184 664 HB2 ALA 88 HB2 ALA 88 1.536 -3.965 -10.899 665 HB3 ALA 88 HB3 ALA 88 1.023 -4.647 -9.355 666 H ASP 89 H ASP 89 2.992 -1.679 -11.066 667 HA ASP 89 HA ASP 89 5.351 -2.470 -12.384 668 HB2 ASP 89 HB3 ASP 89 3.936 0.223 -12.271 669 HB3 ASP 89 HB2 ASP 89 5.309 -0.090 -13.328 670 H PHE 90 H PHE 90 4.800 -0.240 -9.708 671 HA PHE 90 HA PHE 90 7.515 0.668 -9.452 672 HB2 PHE 90 HB3 PHE 90 5.649 2.065 -8.676 673 HB3 PHE 90 HB2 PHE 90 5.153 0.822 -7.530 674 HD1 PHE 90 HD1 PHE 90 5.563 1.544 -5.326 675 HD2 PHE 90 HD2 PHE 90 8.460 2.454 -8.348 676 HE1 PHE 90 HE1 PHE 90 7.028 2.562 -3.637 677 HE2 PHE 90 HE2 PHE 90 9.912 3.465 -6.638 678 HZ PHE 90 HZ PHE 90 9.200 3.515 -4.289 679 H ALA 91 H ALA 91 5.530 -1.824 -7.884 680 HA ALA 91 HA ALA 91 7.280 -2.586 -5.812 681 HB1 ALA 91 HB1 ALA 91 4.910 -3.216 -5.876 682 HB2 ALA 91 HB2 ALA 91 5.931 -4.642 -5.695 683 HB3 ALA 91 HB3 ALA 91 5.207 -4.266 -7.261 684 H ALA 92 H ALA 92 7.145 -3.520 -9.202 685 HA ALA 92 HA ALA 92 8.970 -5.768 -8.984 686 HB1 ALA 92 HB1 ALA 92 7.138 -5.773 -10.619 687 HB2 ALA 92 HB2 ALA 92 8.699 -5.919 -11.427 688 HB3 ALA 92 HB3 ALA 92 7.839 -4.375 -11.434 689 H THR 93 H THR 93 9.181 -2.369 -9.968 690 HA THR 93 HA THR 93 11.727 -2.598 -11.288 691 HB THR 93 HB THR 93 10.064 -0.844 -11.912 692 HG1 THR 93 HG1 THR 93 12.444 0.441 -11.042 693 HG21 THR 93 HG21 THR 93 9.867 1.209 -10.601 694 HG22 THR 93 HG22 THR 93 10.904 0.536 -9.344 695 HG23 THR 93 HG23 THR 93 9.316 -0.170 -9.648 696 H LEU 94 H LEU 94 10.735 -2.046 -7.985 697 HA LEU 94 HA LEU 94 13.292 -0.865 -7.216 698 HB2 LEU 94 HB3 LEU 94 12.334 -0.554 -5.016 699 HB3 LEU 94 HB2 LEU 94 11.215 0.017 -6.228 700 HG LEU 94 HG LEU 94 9.994 -2.289 -5.871 701 HD11 LEU 94 HD11 LEU 94 11.476 -2.162 -3.220 702 HD12 LEU 94 HD12 LEU 94 11.727 -3.374 -4.476 703 HD13 LEU 94 HD13 LEU 94 10.179 -3.277 -3.653 704 HD21 LEU 94 HD21 LEU 94 9.038 -0.107 -5.266 705 HD22 LEU 94 HD22 LEU 94 9.868 -0.161 -3.709 706 HD23 LEU 94 HD23 LEU 94 8.615 -1.346 -4.085 707 H ARG 95 H ARG 95 14.666 -1.801 -5.631 708 HA ARG 95 HA ARG 95 14.624 -4.768 -5.457 709 HB2 ARG 95 HB3 ARG 95 16.955 -2.795 -5.430 710 HB3 ARG 95 HB2 ARG 95 17.131 -4.472 -4.927 711 HG2 ARG 95 HG3 ARG 95 17.903 -4.400 -7.168 712 HG3 ARG 95 HG2 ARG 95 16.314 -5.151 -7.239 713 HD2 ARG 95 HD3 ARG 95 15.374 -2.906 -7.954 714 HD3 ARG 95 HD2 ARG 95 17.031 -2.299 -8.034 715 HE ARG 95 HE ARG 95 16.738 -4.685 -9.558 716 HH11 ARG 95 HH11 ARG 95 16.010 -1.227 -9.743 717 HH12 ARG 95 HH12 ARG 95 16.019 -1.216 -11.479 718 HH21 ARG 95 HH21 ARG 95 16.684 -4.639 -11.808 719 HH22 ARG 95 HH22 ARG 95 16.399 -3.141 -12.648 720 H LYS 96 H LYS 96 15.761 -5.549 -3.352 721 HA LYS 96 HA LYS 96 14.532 -4.261 -1.056 722 HB2 LYS 96 HB3 LYS 96 16.377 -6.692 -1.197 723 HB3 LYS 96 HB2 LYS 96 15.446 -6.186 0.215 724 HG2 LYS 96 HG3 LYS 96 13.343 -6.584 -1.056 725 HG3 LYS 96 HG2 LYS 96 14.301 -7.144 -2.430 726 HD2 LYS 96 HD3 LYS 96 15.207 -8.992 -1.034 727 HD3 LYS 96 HD2 LYS 96 14.235 -8.428 0.329 728 HE2 LYS 96 HE3 LYS 96 12.176 -8.833 -1.020 729 HE3 LYS 96 HE2 LYS 96 13.184 -9.486 -2.314 730 HZ1 LYS 96 HZ1 LYS 96 13.909 -11.241 -0.836 731 HZ2 LYS 96 HZ2 LYS 96 12.219 -11.217 -0.901 732 HZ3 LYS 96 HZ3 LYS 96 13.019 -10.587 0.445 733 H THR 97 H THR 97 15.699 -3.496 0.785 734 HA THR 97 HA THR 97 18.011 -1.908 0.166 735 HB THR 97 HB THR 97 16.969 -2.345 3.007 736 HG1 THR 97 HG1 THR 97 15.767 -0.851 0.908 737 HG21 THR 97 HG21 THR 97 17.963 0.155 1.579 738 HG22 THR 97 HG22 THR 97 18.920 -0.816 2.701 739 HG23 THR 97 HG23 THR 97 17.490 0.045 3.275 740 H ASP 98 H ASP 98 20.077 -2.012 1.469 741 HA ASP 98 HA ASP 98 21.258 -4.595 1.590 742 HB2 ASP 98 HB3 ASP 98 22.187 -1.999 2.918 743 HB3 ASP 98 HB2 ASP 98 23.164 -3.456 2.763 744 H VAL 99 H VAL 99 21.717 -5.962 3.347 745 HA VAL 99 HA VAL 99 20.133 -5.797 5.728 746 HB VAL 99 HB VAL 99 21.448 -7.745 6.563 747 HG11 VAL 99 HG11 VAL 99 20.771 -9.378 4.839 748 HG12 VAL 99 HG12 VAL 99 20.547 -8.071 3.675 749 HG13 VAL 99 HG13 VAL 99 19.519 -8.162 5.106 750 HG21 VAL 99 HG21 VAL 99 23.125 -7.469 4.032 751 HG22 VAL 99 HG22 VAL 99 23.209 -8.809 5.179 752 HG23 VAL 99 HG23 VAL 99 23.681 -7.185 5.682 753 HA PRO 100 HA PRO 100 22.859 -2.917 7.831 754 HB2 PRO 100 HB3 PRO 100 21.583 -2.705 10.204 755 HB3 PRO 100 HB2 PRO 100 20.793 -2.201 8.695 756 HG2 PRO 100 HG3 PRO 100 20.430 -4.749 10.236 757 HG3 PRO 100 HG2 PRO 100 19.198 -3.701 9.500 758 HD2 PRO 100 HD3 PRO 100 20.185 -6.002 8.309 759 HD3 PRO 100 HD2 PRO 100 19.458 -4.649 7.412 760 H VAL 101 H VAL 101 23.485 -5.932 8.001 761 HA VAL 101 HA VAL 101 24.886 -7.393 8.963 762 HB VAL 101 HB VAL 101 26.267 -5.005 10.273 763 HG11 VAL 101 HG11 VAL 101 27.363 -7.746 9.488 764 HG12 VAL 101 HG12 VAL 101 27.038 -7.184 11.130 765 HG13 VAL 101 HG13 VAL 101 28.299 -6.414 10.172 766 HG21 VAL 101 HG21 VAL 101 26.019 -4.537 7.881 767 HG22 VAL 101 HG22 VAL 101 26.715 -6.108 7.470 768 HG23 VAL 101 HG23 VAL 101 27.704 -4.884 8.268 769 H GLU 102 H GLU 102 23.451 -8.475 10.253 770 HA GLU 102 HA GLU 102 23.055 -7.583 13.056 771 HB2 GLU 102 HB3 GLU 102 21.214 -9.275 11.311 772 HB3 GLU 102 HB2 GLU 102 20.889 -8.747 12.962 773 HG2 GLU 102 HG3 GLU 102 20.938 -6.371 12.192 774 HG3 GLU 102 HG2 GLU 102 21.207 -6.940 10.547 775 H GLN 103 H GLN 103 24.766 -9.755 11.286 776 HA GLN 103 HA GLN 103 24.902 -11.695 13.530 777 HB2 GLN 103 HB3 GLN 103 25.841 -13.332 11.992 778 HB3 GLN 103 HB2 GLN 103 24.297 -12.785 11.374 779 HG2 GLN 103 HG3 GLN 103 26.944 -11.730 10.350 780 HG3 GLN 103 HG2 GLN 103 26.148 -13.148 9.676 781 HE21 GLN 103 HE21 GLN 103 24.195 -12.867 8.539 782 HE22 GLN 103 HE22 GLN 103 23.753 -11.338 7.867 783 HA PRO 104 HA PRO 104 28.886 -9.831 14.442 784 HB2 PRO 104 HB3 PRO 104 30.171 -12.014 15.635 785 HB3 PRO 104 HB2 PRO 104 28.993 -10.971 16.459 786 HG2 PRO 104 HG3 PRO 104 28.559 -13.648 15.182 787 HG3 PRO 104 HG2 PRO 104 27.913 -13.016 16.713 788 HD2 PRO 104 HD3 PRO 104 26.398 -13.104 14.481 789 HD3 PRO 104 HD2 PRO 104 26.242 -11.773 15.650 790 H PHE 105 H PHE 105 29.606 -13.236 13.556 791 HA PHE 105 HA PHE 105 31.116 -12.431 11.166 792 HB2 PHE 105 HB3 PHE 105 32.345 -14.076 13.445 793 HB3 PHE 105 HB2 PHE 105 33.085 -13.838 11.867 794 HD1 PHE 105 HD1 PHE 105 33.933 -11.553 11.212 795 HD2 PHE 105 HD2 PHE 105 32.504 -12.361 15.163 796 HE1 PHE 105 HE1 PHE 105 35.024 -9.505 12.031 797 HE2 PHE 105 HE2 PHE 105 33.600 -10.307 15.970 798 HZ PHE 105 HZ PHE 105 34.860 -8.881 14.408 799 H VAL 106 H VAL 106 32.103 -14.710 10.284 800 HA VAL 106 HA VAL 106 31.701 -16.630 9.183 801 HB VAL 106 HB VAL 106 30.129 -17.507 11.652 802 HG11 VAL 106 HG11 VAL 106 31.537 -19.170 9.520 803 HG12 VAL 106 HG12 VAL 106 29.793 -19.026 9.744 804 HG13 VAL 106 HG13 VAL 106 30.777 -19.807 10.980 805 HG21 VAL 106 HG21 VAL 106 32.355 -16.702 12.310 806 HG22 VAL 106 HG22 VAL 106 33.112 -17.755 11.112 807 HG23 VAL 106 HG23 VAL 106 32.252 -18.455 12.485 808 H HIS 107 H HIS 107 30.467 -15.628 7.567 809 HA HIS 107 HA HIS 107 27.822 -16.713 7.171 810 HB2 HIS 107 HB3 HIS 107 27.315 -14.641 8.501 811 HB3 HIS 107 HB2 HIS 107 28.135 -13.672 7.282 812 HD1 HIS 107 HD1 HIS 107 26.259 -12.385 6.200 813 HD2 HIS 107 HD2 HIS 107 25.305 -16.407 6.664 814 HE1 HIS 107 HE1 HIS 107 24.041 -12.693 5.064 815 HE2 HIS 107 HE2 HIS 107 23.480 -15.117 5.382 816 H SER 108 H SER 108 30.538 -14.788 6.139 817 HA SER 108 HA SER 108 31.551 -14.277 4.204 818 HB2 SER 108 HB3 SER 108 31.569 -16.775 3.961 819 HB3 SER 108 HB2 SER 108 30.072 -16.677 3.044 820 HG SER 108 HG SER 108 31.480 -15.112 1.708 821 HA PRO 109 HA PRO 109 27.777 -11.941 2.806 822 HB2 PRO 109 HB3 PRO 109 29.298 -9.467 3.358 823 HB3 PRO 109 HB2 PRO 109 27.811 -10.056 4.130 824 HG2 PRO 109 HG3 PRO 109 30.184 -9.952 5.452 825 HG3 PRO 109 HG2 PRO 109 28.942 -11.179 5.799 826 HD2 PRO 109 HD3 PRO 109 31.423 -11.449 4.087 827 HD3 PRO 109 HD2 PRO 109 30.791 -12.546 5.340 828 H GLU 110 H GLU 110 31.137 -10.894 2.080 829 HA GLU 110 HA GLU 110 32.088 -9.707 0.432 830 HB2 GLU 110 HB3 GLU 110 30.330 -11.492 -1.297 831 HB3 GLU 110 HB2 GLU 110 31.536 -10.400 -1.961 832 HG2 GLU 110 HG3 GLU 110 32.509 -12.575 -1.916 833 HG3 GLU 110 HG2 GLU 110 33.279 -11.633 -0.643 834 H ASP 111 H ASP 111 29.030 -9.868 -1.381 835 HA ASP 111 HA ASP 111 27.893 -7.471 -0.467 836 HB2 ASP 111 HB3 ASP 111 29.751 -6.327 -1.633 837 HB3 ASP 111 HB2 ASP 111 29.351 -7.170 -3.128
Contact the webmaster for help, if required. Sunday, October 6, 2024 11:37:17 AM GMT (wattos1)