NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25174 | 2k6w | 15894 | 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 1H GLY 1 17.547 -1.916 -8.279 2 H2 GLY 1 2H GLY 1 18.124 -1.633 -9.788 3 H3 GLY 1 3H GLY 1 18.836 -0.910 -8.480 4 HA2 GLY 1 HA3 GLY 1 18.754 -3.800 -8.997 5 HA3 GLY 1 HA2 GLY 1 20.155 -2.752 -9.316 6 H SER 2 H SER 2 19.504 -3.638 -5.399 7 HA SER 2 HA SER 2 17.376 -3.867 -5.034 8 HB2 SER 2 HB1 SER 2 16.260 -1.940 -4.910 9 HB3 SER 2 HB2 SER 2 17.896 -1.345 -5.282 10 HG SER 2 HG SER 2 15.587 -1.034 -6.602 11 H PHE 3 H PHE 3 15.041 -5.262 -7.381 12 HA PHE 3 HA PHE 3 14.106 -5.720 -5.425 13 HB2 PHE 3 HB1 PHE 3 15.556 -6.660 -3.694 14 HB3 PHE 3 HB2 PHE 3 15.701 -7.354 -5.312 15 HD1 PHE 3 HD1 PHE 3 17.795 -7.078 -6.614 16 HD2 PHE 3 HD2 PHE 3 17.416 -5.634 -2.571 17 HE1 PHE 3 HE1 PHE 3 20.269 -6.869 -6.456 18 HE2 PHE 3 HE2 PHE 3 19.885 -5.425 -2.416 19 HZ PHE 3 HZ PHE 3 21.315 -6.027 -4.364 20 H THR 4 H THR 4 13.130 -3.674 -5.309 21 HA THR 4 HA THR 4 13.713 -2.395 -2.697 22 HB THR 4 HB THR 4 12.190 -0.689 -4.555 23 HG1 THR 4 HG1 THR 4 13.428 -0.529 -6.112 24 HG21 THR 4 HG21 THR 4 13.031 -0.064 -2.294 25 HG22 THR 4 HG22 THR 4 13.620 1.023 -3.552 26 HG23 THR 4 HG23 THR 4 14.704 -0.219 -2.887 27 H GLU 5 H GLU 5 11.977 -2.740 -1.379 28 HA GLU 5 HA GLU 5 9.592 -4.057 -2.617 29 HB2 GLU 5 HB1 GLU 5 11.502 -5.174 -0.544 30 HB3 GLU 5 HB2 GLU 5 10.037 -5.974 -1.179 31 HG2 GLU 5 HG1 GLU 5 11.021 -6.089 -3.405 32 HG3 GLU 5 HG2 GLU 5 12.482 -5.263 -2.821 33 H GLY 6 H GLY 6 8.767 -5.280 -0.137 34 HA2 GLY 6 HA3 GLY 6 8.167 -3.237 1.816 35 HA3 GLY 6 HA2 GLY 6 6.791 -3.624 0.758 36 H TRP 7 H TRP 7 6.127 -4.016 3.180 37 HA TRP 7 HA TRP 7 6.134 -6.953 3.440 38 HB2 TRP 7 HB1 TRP 7 6.085 -6.856 5.836 39 HB3 TRP 7 HB2 TRP 7 7.573 -6.138 5.247 40 HD1 TRP 7 HD TRP 7 4.911 -5.681 7.672 41 HE1 TRP 7 HE1 TRP 7 4.999 -3.381 8.818 42 HE3 TRP 7 3HE TRP 7 8.136 -3.328 4.462 43 HZ2 TRP 7 HZ2 TRP 7 6.198 -0.818 8.299 44 HZ3 TRP 7 HZ3 TRP 7 8.729 -0.953 4.807 45 HH2 TRP 7 HH TRP 7 7.778 0.320 6.723 46 H VAL 8 H VAL 8 4.212 -7.892 3.761 47 HA VAL 8 HA VAL 8 1.801 -6.174 4.208 48 HB VAL 8 HB VAL 8 2.073 -9.138 3.722 49 HG11 VAL 8 HG11 VAL 8 -0.433 -7.459 4.232 50 HG12 VAL 8 HG12 VAL 8 -0.455 -9.114 3.616 51 HG13 VAL 8 HG13 VAL 8 0.162 -8.796 5.242 52 HG21 VAL 8 HG21 VAL 8 2.414 -7.785 1.728 53 HG22 VAL 8 HG22 VAL 8 0.849 -8.591 1.636 54 HG23 VAL 8 HG23 VAL 8 0.929 -6.876 2.050 55 H ARG 9 H ARG 9 0.734 -6.098 6.204 56 HA ARG 9 HA ARG 9 2.686 -6.420 8.325 57 HB2 ARG 9 HB1 ARG 9 1.315 -4.374 7.922 58 HB3 ARG 9 HB2 ARG 9 -0.108 -5.241 8.518 59 HG2 ARG 9 HG1 ARG 9 0.967 -5.599 10.682 60 HG3 ARG 9 HG2 ARG 9 2.497 -4.924 10.073 61 HD2 ARG 9 HD1 ARG 9 1.224 -2.747 9.685 62 HD3 ARG 9 HD2 ARG 9 -0.113 -3.441 10.598 63 HE ARG 9 HE ARG 9 2.634 -2.786 11.567 64 HH11 ARG 9 HH12 ARG 9 -0.510 -4.105 12.564 65 HH12 ARG 9 HH11 ARG 9 -0.171 -3.814 14.248 66 HH21 ARG 9 HH22 ARG 9 3.006 -2.509 13.589 67 HH22 ARG 9 HH21 ARG 9 1.858 -2.888 14.867 68 H PHE 10 H PHE 10 2.917 -8.104 9.568 69 HA PHE 10 HA PHE 10 1.129 -10.195 10.243 70 HB2 PHE 10 HB1 PHE 10 3.277 -10.627 10.914 71 HB3 PHE 10 HB2 PHE 10 3.551 -8.969 11.478 72 HD1 PHE 10 HD1 PHE 10 2.227 -12.291 12.438 73 HD2 PHE 10 HD2 PHE 10 2.880 -8.233 13.704 74 HE1 PHE 10 HE1 PHE 10 1.671 -12.931 14.764 75 HE2 PHE 10 HE2 PHE 10 2.249 -8.856 16.013 76 HZ PHE 10 HZ PHE 10 1.671 -11.216 16.561 77 H SER 11 H SER 11 -0.679 -10.279 11.414 78 HA SER 11 HA SER 11 -1.341 -8.738 13.718 79 HB2 SER 11 HB1 SER 11 -2.222 -7.783 11.003 80 HB3 SER 11 HB2 SER 11 -3.326 -7.673 12.382 81 HG SER 11 HG SER 11 -0.657 -6.759 12.407 82 HA PRO 12 HA PRO 12 -4.404 -12.131 13.240 83 HB2 PRO 12 HB1 PRO 12 -4.479 -13.023 15.777 84 HB3 PRO 12 HB2 PRO 12 -3.054 -13.355 14.743 85 HG2 PRO 12 HG1 PRO 12 -3.380 -11.133 16.782 86 HG3 PRO 12 HG2 PRO 12 -2.012 -12.293 16.620 87 HD2 PRO 12 HD1 PRO 12 -2.020 -9.749 15.513 88 HD3 PRO 12 HD2 PRO 12 -1.136 -11.124 14.794 89 H GLY 13 H GLY 13 -5.162 -9.561 12.951 90 HA2 GLY 13 HA3 GLY 13 -7.037 -8.855 15.162 91 HA3 GLY 13 HA2 GLY 13 -6.367 -7.717 13.971 92 HA PRO 14 HA PRO 14 -10.441 -8.933 12.072 93 HB2 PRO 14 HB1 PRO 14 -11.715 -6.547 12.253 94 HB3 PRO 14 HB2 PRO 14 -11.767 -7.740 13.587 95 HG2 PRO 14 HG1 PRO 14 -9.953 -5.327 13.316 96 HG3 PRO 14 HG2 PRO 14 -10.922 -5.828 14.746 97 HD2 PRO 14 HD1 PRO 14 -8.242 -6.427 14.439 98 HD3 PRO 14 HD2 PRO 14 -9.377 -7.502 15.306 99 H ASN 15 H ASN 15 -7.914 -6.530 12.013 100 HA ASN 15 HA ASN 15 -7.911 -6.443 9.106 101 HB2 ASN 15 HB1 ASN 15 -7.886 -4.048 8.988 102 HB3 ASN 15 HB2 ASN 15 -9.369 -4.559 9.800 103 HD21 ASN 15 HD21 ASN 15 -7.702 -1.981 9.792 104 HD22 ASN 15 HD22 ASN 15 -7.649 -1.622 11.504 105 H ALA 16 H ALA 16 -6.041 -5.099 8.325 106 HA ALA 16 HA ALA 16 -3.588 -5.034 9.884 107 HB1 ALA 16 HB1 ALA 16 -3.893 -7.077 7.630 108 HB2 ALA 16 HB2 ALA 16 -2.409 -6.735 8.541 109 HB3 ALA 16 HB3 ALA 16 -3.789 -7.463 9.358 110 H ALA 17 H ALA 17 -1.942 -5.157 7.451 111 HA ALA 17 HA ALA 17 -2.872 -2.933 5.803 112 HB1 ALA 17 HB1 ALA 17 -0.975 -1.473 6.364 113 HB2 ALA 17 HB2 ALA 17 -1.884 -1.832 7.841 114 HB3 ALA 17 HB3 ALA 17 -0.353 -2.667 7.520 115 H ALA 18 H ALA 18 -1.330 -2.473 4.024 116 HA ALA 18 HA ALA 18 0.944 -4.344 3.746 117 HB1 ALA 18 HB1 ALA 18 -1.006 -3.760 1.474 118 HB2 ALA 18 HB2 ALA 18 0.525 -4.629 1.328 119 HB3 ALA 18 HB3 ALA 18 -0.795 -5.315 2.301 120 H TYR 19 H TYR 19 2.753 -3.430 3.210 121 HA TYR 19 HA TYR 19 2.871 -0.605 2.221 122 HB2 TYR 19 HB1 TYR 19 4.884 -2.099 3.938 123 HB3 TYR 19 HB2 TYR 19 4.887 -0.379 3.566 124 HD1 TYR 19 HD1 TYR 19 2.877 1.028 4.479 125 HD2 TYR 19 HD2 TYR 19 3.872 -2.927 5.854 126 HE1 TYR 19 HE1 TYR 19 1.517 1.392 6.547 127 HE2 TYR 19 HE2 TYR 19 2.671 -2.532 7.963 128 HH TYR 19 HH TYR 19 0.817 0.519 8.506 129 H LEU 20 H LEU 20 4.492 -0.187 0.667 130 HA LEU 20 HA LEU 20 6.576 -1.928 -0.028 131 HB2 LEU 20 HB1 LEU 20 6.041 -2.854 -2.114 132 HB3 LEU 20 HB2 LEU 20 4.745 -3.357 -1.053 133 HG LEU 20 HG LEU 20 4.543 -1.033 -3.028 134 HD11 LEU 20 HD11 LEU 20 4.982 -3.151 -4.213 135 HD12 LEU 20 HD12 LEU 20 3.351 -2.538 -4.510 136 HD13 LEU 20 HD13 LEU 20 3.593 -3.898 -3.394 137 HD21 LEU 20 HD21 LEU 20 2.844 -0.902 -1.239 138 HD22 LEU 20 HD22 LEU 20 2.373 -2.586 -1.549 139 HD23 LEU 20 HD23 LEU 20 2.114 -1.330 -2.782 140 H THR 21 H THR 21 7.975 -1.325 -1.555 141 HA THR 21 HA THR 21 7.878 1.404 -2.654 142 HB THR 21 HB THR 21 9.731 -0.912 -3.347 143 HG1 THR 21 HG1 THR 21 9.885 -0.490 -1.191 144 HG21 THR 21 HG21 THR 21 11.233 1.232 -3.784 145 HG22 THR 21 HG22 THR 21 9.689 2.075 -3.928 146 HG23 THR 21 HG23 THR 21 10.063 0.720 -5.008 147 H LEU 22 H LEU 22 7.324 1.912 -4.759 148 HA LEU 22 HA LEU 22 6.838 -0.235 -6.694 149 HB2 LEU 22 HB1 LEU 22 4.697 0.216 -5.536 150 HB3 LEU 22 HB2 LEU 22 4.782 1.911 -5.994 151 HG LEU 22 HG LEU 22 3.203 0.388 -7.265 152 HD11 LEU 22 HD11 LEU 22 3.525 1.482 -9.405 153 HD12 LEU 22 HD12 LEU 22 3.820 2.608 -8.069 154 HD13 LEU 22 HD13 LEU 22 5.184 1.925 -8.980 155 HD21 LEU 22 HD21 LEU 22 5.692 -0.593 -8.717 156 HD22 LEU 22 HD22 LEU 22 4.008 -1.019 -9.054 157 HD23 LEU 22 HD23 LEU 22 4.760 -1.544 -7.538 158 H GLU 23 H GLU 23 7.640 0.318 -8.643 159 HA GLU 23 HA GLU 23 8.226 3.111 -9.273 160 HB2 GLU 23 HB1 GLU 23 10.588 2.534 -9.852 161 HB3 GLU 23 HB2 GLU 23 10.166 2.685 -8.125 162 HG2 GLU 23 HG1 GLU 23 10.110 0.146 -8.051 163 HG3 GLU 23 HG2 GLU 23 10.862 0.168 -9.655 164 H ASN 24 H ASN 24 8.539 3.584 -11.350 165 HA ASN 24 HA ASN 24 7.046 1.735 -13.137 166 HB2 ASN 24 HB1 ASN 24 6.069 3.933 -12.568 167 HB3 ASN 24 HB2 ASN 24 7.488 4.747 -13.251 168 HD21 ASN 24 HD21 ASN 24 5.766 5.809 -14.568 169 HD22 ASN 24 HD22 ASN 24 5.306 5.009 -16.073 170 HA PRO 25 HA PRO 25 10.976 1.801 -15.460 171 HB2 PRO 25 HB1 PRO 25 10.700 -0.530 -16.857 172 HB3 PRO 25 HB2 PRO 25 11.077 -0.531 -15.108 173 HG2 PRO 25 HG1 PRO 25 8.347 -0.805 -16.411 174 HG3 PRO 25 HG2 PRO 25 9.080 -1.879 -15.169 175 HD2 PRO 25 HD1 PRO 25 7.359 0.145 -14.516 176 HD3 PRO 25 HD2 PRO 25 8.747 -0.274 -13.472 177 H GLY 26 H GLY 26 7.701 2.117 -16.510 178 HA2 GLY 26 HA3 GLY 26 8.196 2.077 -19.364 179 HA3 GLY 26 HA2 GLY 26 6.711 2.570 -18.520 180 H ASP 27 H ASP 27 7.554 3.867 -20.730 181 HA ASP 27 HA ASP 27 8.827 6.414 -19.988 182 HB2 ASP 27 HB1 ASP 27 7.906 5.217 -22.624 183 HB3 ASP 27 HB2 ASP 27 8.753 6.771 -22.448 184 H LEU 28 H LEU 28 5.719 5.279 -19.864 185 HA LEU 28 HA LEU 28 4.616 8.029 -19.881 186 HB2 LEU 28 HB1 LEU 28 2.458 7.177 -20.523 187 HB3 LEU 28 HB2 LEU 28 3.707 6.773 -21.729 188 HG LEU 28 HG LEU 28 3.712 4.417 -20.669 189 HD11 LEU 28 HD11 LEU 28 1.148 5.536 -19.436 190 HD12 LEU 28 HD12 LEU 28 2.486 4.726 -18.597 191 HD13 LEU 28 HD13 LEU 28 1.447 3.797 -19.663 192 HD21 LEU 28 HD21 LEU 28 1.210 5.448 -22.079 193 HD22 LEU 28 HD22 LEU 28 1.755 3.755 -22.027 194 HD23 LEU 28 HD23 LEU 28 2.730 4.966 -22.867 195 HA PRO 29 HA PRO 29 4.159 7.466 -15.673 196 HB2 PRO 29 HB1 PRO 29 1.979 8.888 -14.865 197 HB3 PRO 29 HB2 PRO 29 3.403 9.650 -15.630 198 HG2 PRO 29 HG1 PRO 29 0.795 8.851 -16.930 199 HG3 PRO 29 HG2 PRO 29 1.702 10.393 -17.113 200 HD2 PRO 29 HD1 PRO 29 1.856 8.304 -18.911 201 HD3 PRO 29 HD2 PRO 29 3.226 9.395 -18.617 202 H LEU 30 H LEU 30 2.998 6.531 -13.781 203 HA LEU 30 HA LEU 30 0.799 4.609 -14.436 204 HB2 LEU 30 HB1 LEU 30 2.723 4.569 -12.123 205 HB3 LEU 30 HB2 LEU 30 1.344 3.477 -12.341 206 HG LEU 30 HG LEU 30 3.763 3.751 -14.052 207 HD11 LEU 30 HD11 LEU 30 2.735 1.426 -12.416 208 HD12 LEU 30 HD12 LEU 30 4.285 1.465 -13.289 209 HD13 LEU 30 HD13 LEU 30 4.025 2.537 -11.895 210 HD21 LEU 30 HD21 LEU 30 3.046 1.789 -15.357 211 HD22 LEU 30 HD22 LEU 30 1.445 1.882 -14.574 212 HD23 LEU 30 HD23 LEU 30 2.034 3.203 -15.626 213 H ARG 31 H ARG 31 -0.864 4.509 -12.995 214 HA ARG 31 HA ARG 31 -1.110 6.450 -10.788 215 HB2 ARG 31 HB1 ARG 31 -2.199 7.584 -12.706 216 HB3 ARG 31 HB2 ARG 31 -3.323 6.219 -12.839 217 HG2 ARG 31 HG1 ARG 31 -4.313 6.711 -10.724 218 HG3 ARG 31 HG2 ARG 31 -3.016 7.823 -10.265 219 HD2 ARG 31 HD1 ARG 31 -4.969 8.349 -12.524 220 HD3 ARG 31 HD2 ARG 31 -5.159 8.939 -10.848 221 HE ARG 31 HE ARG 31 -2.978 10.175 -11.192 222 HH11 ARG 31 HH12 ARG 31 -5.207 9.758 -13.892 223 HH12 ARG 31 HH11 ARG 31 -4.494 11.102 -14.753 224 HH21 ARG 31 HH22 ARG 31 -2.055 11.690 -12.343 225 HH22 ARG 31 HH21 ARG 31 -2.681 12.198 -13.887 226 H LEU 32 H LEU 32 -1.420 5.235 -9.111 227 HA LEU 32 HA LEU 32 -2.314 2.408 -9.305 228 HB2 LEU 32 HB1 LEU 32 -0.135 2.866 -8.353 229 HB3 LEU 32 HB2 LEU 32 -0.820 4.076 -7.245 230 HG LEU 32 HG LEU 32 -2.102 2.170 -6.135 231 HD11 LEU 32 HD11 LEU 32 -1.235 -0.118 -6.473 232 HD12 LEU 32 HD12 LEU 32 -0.176 0.455 -7.774 233 HD13 LEU 32 HD13 LEU 32 -1.937 0.493 -7.973 234 HD21 LEU 32 HD21 LEU 32 0.948 2.043 -6.141 235 HD22 LEU 32 HD22 LEU 32 -0.122 1.404 -4.872 236 HD23 LEU 32 HD23 LEU 32 -0.053 3.147 -5.174 237 H VAL 33 H VAL 33 -4.430 2.158 -9.014 238 HA VAL 33 HA VAL 33 -5.964 4.185 -7.438 239 HB VAL 33 HB VAL 33 -7.958 3.421 -8.669 240 HG11 VAL 33 HG11 VAL 33 -7.382 4.412 -10.828 241 HG12 VAL 33 HG12 VAL 33 -6.582 5.296 -9.519 242 HG13 VAL 33 HG13 VAL 33 -5.652 4.168 -10.521 243 HG21 VAL 33 HG21 VAL 33 -7.252 1.065 -9.176 244 HG22 VAL 33 HG22 VAL 33 -7.821 1.946 -10.600 245 HG23 VAL 33 HG23 VAL 33 -6.088 1.703 -10.360 246 H GLY 34 H GLY 34 -4.841 0.962 -7.179 247 HA2 GLY 34 HA3 GLY 34 -5.779 0.676 -4.550 248 HA3 GLY 34 HA2 GLY 34 -6.873 -0.242 -5.610 249 H ALA 35 H ALA 35 -5.953 -1.998 -4.204 250 HA ALA 35 HA ALA 35 -4.343 -3.500 -5.978 251 HB1 ALA 35 HB1 ALA 35 -2.503 -2.592 -4.610 252 HB2 ALA 35 HB2 ALA 35 -3.264 -3.280 -3.144 253 HB3 ALA 35 HB3 ALA 35 -2.673 -4.330 -4.462 254 H ARG 36 H ARG 36 -4.226 -5.922 -4.901 255 HA ARG 36 HA ARG 36 -6.748 -6.543 -3.461 256 HB2 ARG 36 HB1 ARG 36 -7.611 -6.148 -5.581 257 HB3 ARG 36 HB2 ARG 36 -6.145 -6.702 -6.417 258 HG2 ARG 36 HG1 ARG 36 -7.778 -8.275 -6.915 259 HG3 ARG 36 HG2 ARG 36 -6.750 -9.050 -5.713 260 HD2 ARG 36 HD1 ARG 36 -8.425 -8.542 -3.958 261 HD3 ARG 36 HD2 ARG 36 -9.406 -7.631 -5.122 262 HE ARG 36 HE ARG 36 -9.281 -10.501 -4.763 263 HH11 ARG 36 HH12 ARG 36 -9.826 -8.071 -7.266 264 HH12 ARG 36 HH11 ARG 36 -10.672 -9.172 -8.310 265 HH21 ARG 36 HH22 ARG 36 -10.370 -11.893 -6.165 266 HH22 ARG 36 HH21 ARG 36 -11.001 -11.297 -7.673 267 H THR 37 H THR 37 -6.630 -8.614 -2.468 268 HA THR 37 HA THR 37 -4.214 -10.296 -3.012 269 HB THR 37 HB THR 37 -3.588 -8.664 -1.407 270 HG1 THR 37 HG1 THR 37 -2.713 -10.639 -1.157 271 HG21 THR 37 HG21 THR 37 -5.688 -8.056 -0.294 272 HG22 THR 37 HG22 THR 37 -4.500 -8.626 0.886 273 HG23 THR 37 HG23 THR 37 -5.829 -9.692 0.384 274 HA PRO 38 HA PRO 38 -7.292 -13.451 -1.663 275 HB2 PRO 38 HB1 PRO 38 -5.697 -15.453 -0.681 276 HB3 PRO 38 HB2 PRO 38 -5.939 -15.119 -2.426 277 HG2 PRO 38 HG1 PRO 38 -3.641 -14.221 -0.688 278 HG3 PRO 38 HG2 PRO 38 -3.568 -15.019 -2.300 279 HD2 PRO 38 HD1 PRO 38 -3.389 -12.318 -2.043 280 HD3 PRO 38 HD2 PRO 38 -4.291 -13.056 -3.398 281 H VAL 39 H VAL 39 -4.739 -12.247 0.509 282 HA VAL 39 HA VAL 39 -5.862 -13.646 2.783 283 HB VAL 39 HB VAL 39 -4.113 -12.787 4.143 284 HG11 VAL 39 HG11 VAL 39 -2.933 -13.336 1.395 285 HG12 VAL 39 HG12 VAL 39 -2.238 -13.692 2.994 286 HG13 VAL 39 HG13 VAL 39 -3.657 -14.583 2.438 287 HG21 VAL 39 HG21 VAL 39 -3.977 -10.446 3.592 288 HG22 VAL 39 HG22 VAL 39 -2.414 -11.157 3.151 289 HG23 VAL 39 HG23 VAL 39 -3.600 -10.794 1.902 290 H ALA 40 H ALA 40 -7.202 -10.978 1.457 291 HA ALA 40 HA ALA 40 -8.618 -10.281 3.884 292 HB1 ALA 40 HB1 ALA 40 -6.926 -8.145 2.524 293 HB2 ALA 40 HB2 ALA 40 -8.032 -7.900 3.895 294 HB3 ALA 40 HB3 ALA 40 -6.568 -8.882 4.102 295 H GLU 41 H GLU 41 -10.396 -8.837 3.529 296 HA GLU 41 HA GLU 41 -11.556 -9.248 0.859 297 HB2 GLU 41 HB1 GLU 41 -12.570 -10.038 3.064 298 HB3 GLU 41 HB2 GLU 41 -12.962 -8.352 3.410 299 HG2 GLU 41 HG1 GLU 41 -14.919 -9.363 2.475 300 HG3 GLU 41 HG2 GLU 41 -14.264 -8.319 1.209 301 H ARG 42 H ARG 42 -12.080 -6.461 3.181 302 HA ARG 42 HA ARG 42 -12.318 -4.775 0.761 303 HB2 ARG 42 HB1 ARG 42 -13.972 -4.535 2.655 304 HB3 ARG 42 HB2 ARG 42 -12.666 -3.798 3.595 305 HG2 ARG 42 HG1 ARG 42 -12.364 -2.404 1.308 306 HG3 ARG 42 HG2 ARG 42 -14.082 -2.775 1.136 307 HD2 ARG 42 HD1 ARG 42 -12.789 -1.387 3.521 308 HD3 ARG 42 HD2 ARG 42 -13.631 -0.577 2.174 309 HE ARG 42 HE ARG 42 -15.341 -2.515 3.409 310 HH11 ARG 42 HH12 ARG 42 -13.951 0.699 4.002 311 HH12 ARG 42 HH11 ARG 42 -15.334 1.264 4.880 312 HH21 ARG 42 HH22 ARG 42 -17.113 -1.726 4.657 313 HH22 ARG 42 HH21 ARG 42 -17.042 -0.114 5.304 314 H VAL 43 H VAL 43 -10.358 -4.639 -0.005 315 HA VAL 43 HA VAL 43 -8.133 -3.416 1.469 316 HB VAL 43 HB VAL 43 -7.609 -5.033 -0.174 317 HG11 VAL 43 HG11 VAL 43 -8.155 -5.008 -2.455 318 HG12 VAL 43 HG12 VAL 43 -9.662 -4.655 -1.661 319 HG13 VAL 43 HG13 VAL 43 -8.754 -3.325 -2.405 320 HG21 VAL 43 HG21 VAL 43 -6.035 -3.121 0.136 321 HG22 VAL 43 HG22 VAL 43 -5.904 -3.906 -1.443 322 HG23 VAL 43 HG23 VAL 43 -6.737 -2.343 -1.300 323 H GLU 44 H GLU 44 -7.602 -1.255 1.516 324 HA GLU 44 HA GLU 44 -8.886 0.710 -0.355 325 HB2 GLU 44 HB1 GLU 44 -8.648 0.959 2.672 326 HB3 GLU 44 HB2 GLU 44 -9.098 2.278 1.561 327 HG2 GLU 44 HG1 GLU 44 -11.156 1.066 0.973 328 HG3 GLU 44 HG2 GLU 44 -10.709 -0.244 2.088 329 H LEU 45 H LEU 45 -7.198 2.157 -1.207 330 HA LEU 45 HA LEU 45 -4.658 2.228 0.204 331 HB2 LEU 45 HB1 LEU 45 -4.999 2.198 -2.324 332 HB3 LEU 45 HB2 LEU 45 -5.475 3.889 -2.210 333 HG LEU 45 HG LEU 45 -2.865 2.888 -0.983 334 HD11 LEU 45 HD11 LEU 45 -2.881 2.143 -3.309 335 HD12 LEU 45 HD12 LEU 45 -1.722 3.472 -3.055 336 HD13 LEU 45 HD13 LEU 45 -3.305 3.771 -3.849 337 HD21 LEU 45 HD21 LEU 45 -3.528 5.542 -2.320 338 HD22 LEU 45 HD22 LEU 45 -2.033 5.136 -1.453 339 HD23 LEU 45 HD23 LEU 45 -3.540 5.298 -0.553 340 H HIS 46 H HIS 46 -4.119 3.530 1.691 341 HA HIS 46 HA HIS 46 -5.608 6.046 2.201 342 HB2 HIS 46 HB1 HIS 46 -4.209 4.084 4.020 343 HB3 HIS 46 HB2 HIS 46 -4.593 5.713 4.570 344 HD2 HIS 46 HD2 HIS 46 -7.415 3.962 2.589 345 HE1 HIS 46 HE1 HIS 46 -8.452 3.748 6.683 346 HE2 HIS 46 HE2 HIS 46 -9.235 3.247 4.295 347 H GLU 47 H GLU 47 -4.528 7.806 2.903 348 HA GLU 47 HA GLU 47 -1.613 8.163 2.388 349 HB2 GLU 47 HB1 GLU 47 -2.037 10.558 2.906 350 HB3 GLU 47 HB2 GLU 47 -2.932 10.002 1.476 351 HG2 GLU 47 HG1 GLU 47 -4.984 9.917 2.685 352 HG3 GLU 47 HG2 GLU 47 -4.186 10.145 4.244 353 H THR 48 H THR 48 -0.394 9.226 4.155 354 HA THR 48 HA THR 48 -1.572 9.253 6.850 355 HB THR 48 HB THR 48 0.937 7.650 6.234 356 HG1 THR 48 HG1 THR 48 -1.593 7.113 6.192 357 HG21 THR 48 HG21 THR 48 -0.417 8.391 8.874 358 HG22 THR 48 HG22 THR 48 1.234 8.808 8.380 359 HG23 THR 48 HG23 THR 48 0.806 7.119 8.705 360 H PHE 49 H PHE 49 -0.963 11.027 7.833 361 HA PHE 49 HA PHE 49 0.862 12.817 6.277 362 HB2 PHE 49 HB1 PHE 49 -1.041 14.362 6.180 363 HB3 PHE 49 HB2 PHE 49 -1.431 12.815 5.415 364 HD1 PHE 49 HD2 PHE 49 -1.968 14.874 8.513 365 HD2 PHE 49 HD1 PHE 49 -3.314 11.510 6.180 366 HE1 PHE 49 HE2 PHE 49 -4.038 14.787 9.849 367 HE2 PHE 49 HE1 PHE 49 -5.421 11.472 7.492 368 HZ PHE 49 HZ PHE 49 -5.775 13.088 9.322 369 H MET 50 H MET 50 1.208 14.910 7.191 370 HA MET 50 HA MET 50 0.420 15.271 10.038 371 HB2 MET 50 HB1 MET 50 2.144 16.898 10.378 372 HB3 MET 50 HB2 MET 50 2.875 15.353 9.926 373 HG2 MET 50 HG1 MET 50 3.425 16.163 7.741 374 HG3 MET 50 HG2 MET 50 2.418 17.610 7.929 375 HE1 MET 50 HE1 MET 50 5.854 19.286 7.689 376 HE2 MET 50 HE2 MET 50 5.283 17.872 6.789 377 HE3 MET 50 HE3 MET 50 4.175 19.226 7.101 378 H ARG 51 H ARG 51 -0.899 16.977 10.436 379 HA ARG 51 HA ARG 51 -1.151 19.221 8.561 380 HB2 ARG 51 HB1 ARG 51 -3.489 17.423 9.324 381 HB3 ARG 51 HB2 ARG 51 -3.688 19.099 8.739 382 HG2 ARG 51 HG1 ARG 51 -2.481 18.483 6.653 383 HG3 ARG 51 HG2 ARG 51 -2.425 16.793 7.202 384 HD2 ARG 51 HD1 ARG 51 -4.869 16.675 7.203 385 HD3 ARG 51 HD2 ARG 51 -4.956 18.379 6.695 386 HE ARG 51 HE ARG 51 -4.105 17.778 4.551 387 HH11 ARG 51 HH12 ARG 51 -4.457 14.830 6.535 388 HH12 ARG 51 HH11 ARG 51 -4.234 13.834 5.106 389 HH21 ARG 51 HH22 ARG 51 -3.787 16.213 2.823 390 HH22 ARG 51 HH21 ARG 51 -3.911 14.513 3.256 391 H GLU 52 H GLU 52 -2.144 21.073 9.582 392 HA GLU 52 HA GLU 52 -1.720 21.121 12.514 393 HB2 GLU 52 HB1 GLU 52 -1.670 23.148 10.323 394 HB3 GLU 52 HB2 GLU 52 -2.137 23.668 11.974 395 HG2 GLU 52 HG1 GLU 52 0.225 23.993 11.687 396 HG3 GLU 52 HG2 GLU 52 -0.066 22.724 12.885 397 H VAL 53 H VAL 53 -3.216 21.901 13.921 398 HA VAL 53 HA VAL 53 -6.073 22.061 13.015 399 HB VAL 53 HB VAL 53 -5.158 20.487 15.423 400 HG11 VAL 53 HG11 VAL 53 -7.509 19.688 15.455 401 HG12 VAL 53 HG12 VAL 53 -7.450 21.438 15.661 402 HG13 VAL 53 HG13 VAL 53 -7.898 20.753 14.087 403 HG21 VAL 53 HG21 VAL 53 -4.510 19.253 13.395 404 HG22 VAL 53 HG22 VAL 53 -5.906 18.477 14.144 405 HG23 VAL 53 HG23 VAL 53 -6.129 19.489 12.703 406 H GLU 54 H GLU 54 -5.263 22.110 16.315 407 HA GLU 54 HA GLU 54 -6.322 24.756 16.780 408 HB2 GLU 54 HB1 GLU 54 -6.487 22.669 18.224 409 HB3 GLU 54 HB2 GLU 54 -4.795 22.947 18.668 410 HG2 GLU 54 HG1 GLU 54 -5.840 25.374 19.308 411 HG3 GLU 54 HG2 GLU 54 -7.310 24.400 19.481 412 H GLY 55 H GLY 55 -4.279 25.254 15.041 413 HA2 GLY 55 HA3 GLY 55 -2.299 26.383 14.651 414 HA3 GLY 55 HA2 GLY 55 -2.213 26.785 16.381 415 H LYS 56 H LYS 56 -2.541 23.564 16.426 416 HA LYS 56 HA LYS 56 0.346 23.040 16.787 417 HB2 LYS 56 HB1 LYS 56 -2.240 21.799 17.828 418 HB3 LYS 56 HB2 LYS 56 -0.630 21.170 18.206 419 HG2 LYS 56 HG1 LYS 56 -0.054 23.123 19.459 420 HG3 LYS 56 HG2 LYS 56 -1.447 24.033 18.830 421 HD2 LYS 56 HD1 LYS 56 -2.886 22.184 19.972 422 HD3 LYS 56 HD2 LYS 56 -1.421 21.811 20.891 423 HE2 LYS 56 HE1 LYS 56 -1.321 24.154 21.698 424 HE3 LYS 56 HE2 LYS 56 -2.709 24.567 20.629 425 HZ1 LYS 56 HZ1 LYS 56 -3.965 22.870 21.917 426 HZ2 LYS 56 HZ2 LYS 56 -3.751 24.250 22.590 427 HZ3 LYS 56 HZ3 LYS 56 -2.805 22.957 23.105 428 H LYS 57 H LYS 57 1.284 21.141 15.976 429 HA LYS 57 HA LYS 57 0.167 20.093 13.489 430 HB2 LYS 57 HB1 LYS 57 2.643 19.145 14.962 431 HB3 LYS 57 HB2 LYS 57 2.218 18.921 13.250 432 HG2 LYS 57 HG1 LYS 57 2.312 21.498 13.089 433 HG3 LYS 57 HG2 LYS 57 3.099 21.456 14.686 434 HD2 LYS 57 HD1 LYS 57 4.729 21.664 12.885 435 HD3 LYS 57 HD2 LYS 57 4.942 20.150 13.790 436 HE2 LYS 57 HE1 LYS 57 5.295 19.807 11.401 437 HE3 LYS 57 HE2 LYS 57 3.882 18.893 11.956 438 HZ1 LYS 57 HZ1 LYS 57 3.667 21.521 10.562 439 HZ2 LYS 57 HZ2 LYS 57 2.465 20.573 10.956 440 HZ3 LYS 57 HZ3 LYS 57 3.516 20.050 9.827 441 H VAL 58 H VAL 58 -0.823 18.165 13.142 442 HA VAL 58 HA VAL 58 -0.917 16.067 15.274 443 HB VAL 58 HB VAL 58 -3.264 17.076 13.635 444 HG11 VAL 58 HG11 VAL 58 -4.632 15.617 15.166 445 HG12 VAL 58 HG12 VAL 58 -3.578 14.709 14.091 446 HG13 VAL 58 HG13 VAL 58 -3.119 14.932 15.798 447 HG21 VAL 58 HG21 VAL 58 -4.209 17.809 15.855 448 HG22 VAL 58 HG22 VAL 58 -2.647 17.430 16.605 449 HG23 VAL 58 HG23 VAL 58 -2.777 18.719 15.386 450 H MET 59 H MET 59 -1.297 13.879 14.410 451 HA MET 59 HA MET 59 -0.802 13.587 11.490 452 HB2 MET 59 HB1 MET 59 0.671 12.248 13.758 453 HB3 MET 59 HB2 MET 59 0.640 11.581 12.105 454 HG2 MET 59 HG1 MET 59 1.842 13.321 11.206 455 HG3 MET 59 HG2 MET 59 1.400 14.472 12.467 456 HE1 MET 59 HE1 MET 59 2.054 13.077 15.173 457 HE2 MET 59 HE2 MET 59 3.696 13.708 15.406 458 HE3 MET 59 HE3 MET 59 2.426 14.746 14.702 459 H GLY 60 H GLY 60 -1.714 11.811 10.492 460 HA2 GLY 60 HA3 GLY 60 -3.199 9.768 11.866 461 HA3 GLY 60 HA2 GLY 60 -4.273 11.049 11.260 462 H MET 61 H MET 61 -5.029 8.966 10.155 463 HA MET 61 HA MET 61 -3.712 8.576 7.503 464 HB2 MET 61 HB1 MET 61 -5.269 6.519 9.110 465 HB3 MET 61 HB2 MET 61 -4.447 6.270 7.545 466 HG2 MET 61 HG1 MET 61 -2.936 5.350 9.003 467 HG3 MET 61 HG2 MET 61 -2.299 6.983 8.824 468 HE1 MET 61 HE1 MET 61 -1.216 6.409 12.431 469 HE2 MET 61 HE2 MET 61 -1.052 5.423 10.960 470 HE3 MET 61 HE3 MET 61 -0.829 7.185 10.884 471 H ARG 62 H ARG 62 -5.316 7.691 5.836 472 HA ARG 62 HA ARG 62 -8.122 8.392 6.028 473 HB2 ARG 62 HB1 ARG 62 -6.353 10.553 5.789 474 HB3 ARG 62 HB2 ARG 62 -6.875 10.264 4.122 475 HG2 ARG 62 HG1 ARG 62 -9.266 10.386 4.967 476 HG3 ARG 62 HG2 ARG 62 -8.613 10.904 6.538 477 HD2 ARG 62 HD1 ARG 62 -9.345 12.816 5.081 478 HD3 ARG 62 HD2 ARG 62 -7.626 12.884 5.547 479 HE ARG 62 HE ARG 62 -7.023 12.746 3.334 480 HH11 ARG 62 HH12 ARG 62 -10.308 11.400 3.395 481 HH12 ARG 62 HH11 ARG 62 -10.019 10.626 1.853 482 HH21 ARG 62 HH22 ARG 62 -6.866 11.984 1.441 483 HH22 ARG 62 HH21 ARG 62 -8.161 11.061 0.686 484 HA PRO 63 HA PRO 63 -7.564 6.066 2.117 485 HB2 PRO 63 HB1 PRO 63 -10.178 5.976 1.240 486 HB3 PRO 63 HB2 PRO 63 -9.413 4.782 2.302 487 HG2 PRO 63 HG1 PRO 63 -11.188 7.061 3.011 488 HG3 PRO 63 HG2 PRO 63 -11.076 5.466 3.802 489 HD2 PRO 63 HD1 PRO 63 -10.000 7.820 4.814 490 HD3 PRO 63 HD2 PRO 63 -9.313 6.210 5.163 491 H VAL 64 H VAL 64 -7.305 6.564 0.028 492 HA VAL 64 HA VAL 64 -8.116 9.293 -0.934 493 HB VAL 64 HB VAL 64 -5.967 9.107 -2.368 494 HG11 VAL 64 HG11 VAL 64 -4.594 10.164 -0.615 495 HG12 VAL 64 HG12 VAL 64 -6.247 10.793 -0.673 496 HG13 VAL 64 HG13 VAL 64 -5.782 9.645 0.606 497 HG21 VAL 64 HG21 VAL 64 -4.093 7.890 -1.501 498 HG22 VAL 64 HG22 VAL 64 -5.034 7.278 -0.132 499 HG23 VAL 64 HG23 VAL 64 -5.421 6.750 -1.789 500 HA PRO 65 HA PRO 65 -9.624 7.062 -4.472 501 HB2 PRO 65 HB1 PRO 65 -9.411 8.819 -6.536 502 HB3 PRO 65 HB2 PRO 65 -10.537 9.076 -5.168 503 HG2 PRO 65 HG1 PRO 65 -7.749 10.225 -5.509 504 HG3 PRO 65 HG2 PRO 65 -9.267 11.111 -5.117 505 HD2 PRO 65 HD1 PRO 65 -7.530 10.317 -3.169 506 HD3 PRO 65 HD2 PRO 65 -9.299 10.243 -2.915 507 H PHE 66 H PHE 66 -6.220 8.136 -4.464 508 HA PHE 66 HA PHE 66 -5.292 5.875 -5.831 509 HB2 PHE 66 HB1 PHE 66 -4.465 6.847 -7.914 510 HB3 PHE 66 HB2 PHE 66 -6.216 6.692 -7.862 511 HD1 PHE 66 HD1 PHE 66 -3.385 9.110 -7.767 512 HD2 PHE 66 HD2 PHE 66 -7.648 8.590 -8.128 513 HE1 PHE 66 HE1 PHE 66 -3.604 11.451 -8.530 514 HE2 PHE 66 HE2 PHE 66 -7.866 10.939 -8.891 515 HZ PHE 66 HZ PHE 66 -5.838 12.377 -9.095 516 H LEU 67 H LEU 67 -3.063 6.033 -6.400 517 HA LEU 67 HA LEU 67 -1.482 8.376 -5.516 518 HB2 LEU 67 HB1 LEU 67 -1.075 5.479 -4.969 519 HB3 LEU 67 HB2 LEU 67 0.337 6.243 -5.725 520 HG LEU 67 HG LEU 67 -0.986 7.054 -3.110 521 HD11 LEU 67 HD11 LEU 67 1.695 5.772 -3.900 522 HD12 LEU 67 HD12 LEU 67 0.357 4.968 -3.042 523 HD13 LEU 67 HD13 LEU 67 1.284 6.261 -2.257 524 HD21 LEU 67 HD21 LEU 67 -0.079 9.106 -4.120 525 HD22 LEU 67 HD22 LEU 67 1.415 8.261 -4.594 526 HD23 LEU 67 HD23 LEU 67 1.048 8.563 -2.886 527 H GLU 68 H GLU 68 0.681 8.321 -6.954 528 HA GLU 68 HA GLU 68 0.406 7.030 -9.511 529 HB2 GLU 68 HB1 GLU 68 -0.024 8.749 -10.960 530 HB3 GLU 68 HB2 GLU 68 -1.226 8.964 -9.685 531 HG2 GLU 68 HG1 GLU 68 0.131 10.837 -8.761 532 HG3 GLU 68 HG2 GLU 68 1.302 10.608 -10.084 533 H VAL 69 H VAL 69 2.072 7.728 -11.091 534 HA VAL 69 HA VAL 69 4.607 8.422 -9.729 535 HB VAL 69 HB VAL 69 4.474 5.834 -11.333 536 HG11 VAL 69 HG11 VAL 69 6.480 5.264 -10.025 537 HG12 VAL 69 HG12 VAL 69 6.701 6.826 -10.816 538 HG13 VAL 69 HG13 VAL 69 6.318 6.765 -9.086 539 HG21 VAL 69 HG21 VAL 69 4.369 4.524 -9.239 540 HG22 VAL 69 HG22 VAL 69 3.927 6.002 -8.360 541 HG23 VAL 69 HG23 VAL 69 2.854 5.345 -9.617 542 HA PRO 70 HA PRO 70 5.179 9.832 -14.005 543 HB2 PRO 70 HB1 PRO 70 7.725 10.798 -13.868 544 HB3 PRO 70 HB2 PRO 70 6.312 11.661 -13.187 545 HG2 PRO 70 HG1 PRO 70 8.292 9.875 -11.744 546 HG3 PRO 70 HG2 PRO 70 7.696 11.498 -11.243 547 HD2 PRO 70 HD1 PRO 70 6.644 9.149 -10.266 548 HD3 PRO 70 HD2 PRO 70 5.642 10.607 -10.518 549 HA PRO 71 HA PRO 71 7.497 6.430 -15.863 550 HB2 PRO 71 HB1 PRO 71 8.823 7.682 -17.934 551 HB3 PRO 71 HB2 PRO 71 7.117 7.125 -17.929 552 HG2 PRO 71 HG1 PRO 71 8.178 9.900 -17.556 553 HG3 PRO 71 HG2 PRO 71 6.666 9.353 -18.383 554 HD2 PRO 71 HD1 PRO 71 6.732 10.410 -15.839 555 HD3 PRO 71 HD2 PRO 71 5.498 9.263 -16.409 556 H LYS 72 H LYS 72 9.395 5.414 -15.527 557 HA LYS 72 HA LYS 72 11.427 4.942 -14.679 558 HB2 LYS 72 HB1 LYS 72 12.304 7.787 -15.103 559 HB3 LYS 72 HB2 LYS 72 13.285 6.310 -15.122 560 HG2 LYS 72 HG1 LYS 72 11.231 7.175 -17.192 561 HG3 LYS 72 HG2 LYS 72 12.995 7.211 -17.347 562 HD2 LYS 72 HD1 LYS 72 13.091 4.782 -17.422 563 HD3 LYS 72 HD2 LYS 72 11.366 4.651 -16.981 564 HE2 LYS 72 HE1 LYS 72 10.718 5.802 -19.035 565 HE3 LYS 72 HE2 LYS 72 12.404 5.966 -19.533 566 HZ1 LYS 72 HZ1 LYS 72 12.515 3.557 -19.683 567 HZ2 LYS 72 HZ2 LYS 72 11.261 4.118 -20.583 568 HZ3 LYS 72 HZ3 LYS 72 10.967 3.399 -19.141 569 H GLY 73 H GLY 73 9.373 6.914 -13.116 570 HA2 GLY 73 HA3 GLY 73 11.020 7.640 -10.815 571 HA3 GLY 73 HA2 GLY 73 9.315 8.052 -11.101 572 H ARG 74 H ARG 74 9.405 7.590 -8.850 573 HA ARG 74 HA ARG 74 8.591 4.866 -8.113 574 HB2 ARG 74 HB1 ARG 74 11.052 4.830 -7.876 575 HB3 ARG 74 HB2 ARG 74 10.999 6.330 -6.914 576 HG2 ARG 74 HG1 ARG 74 9.687 5.105 -5.184 577 HG3 ARG 74 HG2 ARG 74 9.903 3.606 -6.075 578 HD2 ARG 74 HD1 ARG 74 12.134 5.359 -4.968 579 HD3 ARG 74 HD2 ARG 74 11.482 3.886 -4.197 580 HE ARG 74 HE ARG 74 12.374 3.206 -6.821 581 HH11 ARG 74 HH22 ARG 74 13.706 4.184 -3.720 582 HH12 ARG 74 HH21 ARG 74 15.172 3.252 -3.942 583 HH21 ARG 74 HH12 ARG 74 14.001 1.927 -6.996 584 HH22 ARG 74 HH11 ARG 74 15.220 1.726 -5.744 585 H VAL 75 H VAL 75 7.416 4.700 -6.302 586 HA VAL 75 HA VAL 75 7.292 6.939 -4.368 587 HB VAL 75 HB VAL 75 4.846 6.510 -3.987 588 HG11 VAL 75 HG11 VAL 75 5.664 8.496 -5.244 589 HG12 VAL 75 HG12 VAL 75 5.431 7.606 -6.766 590 HG13 VAL 75 HG13 VAL 75 4.041 7.978 -5.726 591 HG21 VAL 75 HG21 VAL 75 4.457 4.374 -5.056 592 HG22 VAL 75 HG22 VAL 75 3.507 5.577 -5.927 593 HG23 VAL 75 HG23 VAL 75 5.033 4.975 -6.622 594 H GLU 76 H GLU 76 7.389 6.123 -2.228 595 HA GLU 76 HA GLU 76 6.953 3.168 -1.970 596 HB2 GLU 76 HB1 GLU 76 8.229 4.828 0.164 597 HB3 GLU 76 HB2 GLU 76 8.191 3.056 -0.055 598 HG2 GLU 76 HG1 GLU 76 10.385 3.667 -0.556 599 HG3 GLU 76 HG2 GLU 76 9.625 3.428 -2.131 600 H LEU 77 H LEU 77 5.159 2.528 -1.217 601 HA LEU 77 HA LEU 77 3.346 4.114 0.435 602 HB2 LEU 77 HB1 LEU 77 3.347 1.220 -0.486 603 HB3 LEU 77 HB2 LEU 77 2.139 1.937 0.619 604 HG LEU 77 HG LEU 77 1.752 3.654 -1.312 605 HD11 LEU 77 HD11 LEU 77 2.025 2.667 -3.583 606 HD12 LEU 77 HD12 LEU 77 2.959 1.328 -2.889 607 HD13 LEU 77 HD13 LEU 77 3.583 2.989 -2.838 608 HD21 LEU 77 HD21 LEU 77 0.831 0.759 -1.443 609 HD22 LEU 77 HD22 LEU 77 0.064 2.106 -2.308 610 HD23 LEU 77 HD23 LEU 77 0.064 2.087 -0.541 611 H LYS 78 H LYS 78 5.108 4.692 1.719 612 HA LYS 78 HA LYS 78 6.184 2.849 3.725 613 HB2 LYS 78 HB1 LYS 78 7.388 4.868 4.479 614 HB3 LYS 78 HB2 LYS 78 7.556 4.639 2.727 615 HG2 LYS 78 HG1 LYS 78 5.577 6.316 2.535 616 HG3 LYS 78 HG2 LYS 78 5.890 6.674 4.248 617 HD2 LYS 78 HD1 LYS 78 6.936 8.366 2.865 618 HD3 LYS 78 HD2 LYS 78 8.199 7.402 3.645 619 HE2 LYS 78 HE1 LYS 78 8.573 6.139 1.626 620 HE3 LYS 78 HE2 LYS 78 7.117 6.789 0.854 621 HZ1 LYS 78 HZ1 LYS 78 9.205 7.684 0.058 622 HZ2 LYS 78 HZ2 LYS 78 9.517 8.394 1.507 623 HZ3 LYS 78 HZ3 LYS 78 8.207 8.862 0.592 624 HA PRO 79 HA PRO 79 2.827 3.288 6.560 625 HB2 PRO 79 HB1 PRO 79 4.108 3.453 9.036 626 HB3 PRO 79 HB2 PRO 79 3.780 1.948 8.129 627 HG2 PRO 79 HG1 PRO 79 6.319 3.582 8.175 628 HG3 PRO 79 HG2 PRO 79 6.138 1.795 8.283 629 HD2 PRO 79 HD1 PRO 79 6.806 2.978 5.942 630 HD3 PRO 79 HD2 PRO 79 5.622 1.636 5.962 631 H GLY 80 H GLY 80 5.497 5.640 7.248 632 HA2 GLY 80 HA3 GLY 80 3.526 7.732 7.909 633 HA3 GLY 80 HA2 GLY 80 5.297 7.887 7.908 634 H GLY 81 H GLY 81 2.749 7.059 5.495 635 HA2 GLY 81 HA3 GLY 81 3.140 9.408 3.897 636 HA3 GLY 81 HA2 GLY 81 4.043 8.039 3.210 637 H TYR 82 H TYR 82 2.669 5.970 3.045 638 HA TYR 82 HA TYR 82 -0.136 6.299 2.227 639 HB2 TYR 82 HB1 TYR 82 1.945 5.681 0.129 640 HB3 TYR 82 HB2 TYR 82 0.187 5.704 -0.081 641 HD1 TYR 82 HD1 TYR 82 -1.048 7.927 0.163 642 HD2 TYR 82 HD2 TYR 82 3.249 7.633 -0.084 643 HE1 TYR 82 HE1 TYR 82 -0.911 10.377 -0.228 644 HE2 TYR 82 HE2 TYR 82 3.399 10.071 -0.503 645 HH TYR 82 HH TYR 82 0.494 12.162 -0.552 646 H HIS 83 H HIS 83 -1.174 4.243 2.008 647 HA HIS 83 HA HIS 83 0.362 1.780 1.902 648 HB2 HIS 83 HB1 HIS 83 -0.095 0.943 4.112 649 HB3 HIS 83 HB2 HIS 83 0.875 2.408 4.242 650 HD1 HIS 83 HD1 HIS 83 -0.429 4.598 5.322 651 HD2 HIS 83 HD2 HIS 83 -2.489 0.934 5.263 652 HE1 HIS 83 HE1 HIS 83 -2.429 4.855 6.861 653 H PHE 84 H PHE 84 -1.154 -0.148 2.477 654 HA PHE 84 HA PHE 84 -3.933 0.495 1.601 655 HB2 PHE 84 HB1 PHE 84 -2.425 -2.133 1.543 656 HB3 PHE 84 HB2 PHE 84 -4.132 -1.914 1.111 657 HD1 PHE 84 HD1 PHE 84 -4.669 -0.269 -0.808 658 HD2 PHE 84 HD2 PHE 84 -0.742 -1.907 -0.099 659 HE1 PHE 84 HE1 PHE 84 -4.039 0.193 -3.161 660 HE2 PHE 84 HE2 PHE 84 -0.132 -1.452 -2.460 661 HZ PHE 84 HZ PHE 84 -1.773 -0.392 -3.987 662 H MET 85 H MET 85 -5.488 0.234 3.052 663 HA MET 85 HA MET 85 -5.033 -1.262 5.591 664 HB2 MET 85 HB1 MET 85 -7.109 0.628 4.557 665 HB3 MET 85 HB2 MET 85 -7.671 -0.669 5.639 666 HG2 MET 85 HG1 MET 85 -5.418 1.251 6.309 667 HG3 MET 85 HG2 MET 85 -7.123 1.441 6.810 668 HE1 MET 85 HE1 MET 85 -3.842 -0.688 7.105 669 HE2 MET 85 HE2 MET 85 -3.849 0.684 8.224 670 HE3 MET 85 HE3 MET 85 -3.904 -0.996 8.845 671 H LEU 86 H LEU 86 -5.703 -3.232 5.954 672 HA LEU 86 HA LEU 86 -7.142 -4.723 3.773 673 HB2 LEU 86 HB1 LEU 86 -5.065 -5.682 5.787 674 HB3 LEU 86 HB2 LEU 86 -5.904 -6.707 4.614 675 HG LEU 86 HG LEU 86 -3.820 -4.565 4.066 676 HD11 LEU 86 HD11 LEU 86 -3.877 -7.583 3.601 677 HD12 LEU 86 HD12 LEU 86 -2.537 -6.494 3.196 678 HD13 LEU 86 HD13 LEU 86 -2.990 -6.741 4.890 679 HD21 LEU 86 HD21 LEU 86 -3.979 -5.226 1.667 680 HD22 LEU 86 HD22 LEU 86 -5.425 -4.396 2.247 681 HD23 LEU 86 HD23 LEU 86 -5.443 -6.167 2.040 682 H LEU 87 H LEU 87 -9.262 -4.598 4.553 683 HA LEU 87 HA LEU 87 -9.746 -5.352 7.405 684 HB2 LEU 87 HB1 LEU 87 -11.834 -4.322 5.501 685 HB3 LEU 87 HB2 LEU 87 -11.820 -4.277 7.270 686 HG LEU 87 HG LEU 87 -10.300 -2.489 5.324 687 HD11 LEU 87 HD11 LEU 87 -11.624 -0.710 6.338 688 HD12 LEU 87 HD12 LEU 87 -12.342 -1.848 7.495 689 HD13 LEU 87 HD13 LEU 87 -12.713 -1.985 5.760 690 HD21 LEU 87 HD21 LEU 87 -9.462 -1.285 7.345 691 HD22 LEU 87 HD22 LEU 87 -10.071 -2.618 8.356 692 HD23 LEU 87 HD23 LEU 87 -8.775 -2.899 7.165 693 H GLY 88 H GLY 88 -11.013 -7.089 7.996 694 HA2 GLY 88 HA3 GLY 88 -12.292 -9.021 7.777 695 HA3 GLY 88 HA2 GLY 88 -12.610 -8.606 6.077 696 H LEU 89 H LEU 89 -10.093 -9.892 8.285 697 HA LEU 89 HA LEU 89 -8.347 -10.636 6.089 698 HB2 LEU 89 HB1 LEU 89 -8.199 -11.265 9.046 699 HB3 LEU 89 HB2 LEU 89 -6.904 -11.506 7.847 700 HG LEU 89 HG LEU 89 -8.045 -8.854 8.792 701 HD11 LEU 89 HD11 LEU 89 -6.533 -9.962 10.376 702 HD12 LEU 89 HD12 LEU 89 -5.747 -8.549 9.658 703 HD13 LEU 89 HD13 LEU 89 -5.327 -10.186 9.113 704 HD21 LEU 89 HD21 LEU 89 -6.197 -7.848 7.398 705 HD22 LEU 89 HD22 LEU 89 -7.508 -8.551 6.450 706 HD23 LEU 89 HD23 LEU 89 -5.971 -9.433 6.631 707 H LYS 90 H LYS 90 -8.318 -12.418 4.930 708 HA LYS 90 HA LYS 90 -10.061 -14.675 5.630 709 HB2 LYS 90 HB1 LYS 90 -8.233 -14.480 3.227 710 HB3 LYS 90 HB2 LYS 90 -9.694 -15.477 3.441 711 HG2 LYS 90 HG1 LYS 90 -10.884 -13.148 3.758 712 HG3 LYS 90 HG2 LYS 90 -9.440 -12.504 2.949 713 HD2 LYS 90 HD1 LYS 90 -9.964 -14.285 1.106 714 HD3 LYS 90 HD2 LYS 90 -11.565 -14.378 1.891 715 HE2 LYS 90 HE1 LYS 90 -11.431 -11.737 1.752 716 HE3 LYS 90 HE2 LYS 90 -10.236 -12.023 0.488 717 HZ1 LYS 90 HZ1 LYS 90 -13.087 -12.781 0.583 718 HZ2 LYS 90 HZ2 LYS 90 -12.080 -13.425 -0.592 719 HZ3 LYS 90 HZ3 LYS 90 -12.437 -11.793 -0.422 720 H ARG 91 H ARG 91 -6.877 -13.893 6.347 721 HA ARG 91 HA ARG 91 -6.798 -16.218 8.007 722 HB2 ARG 91 HB1 ARG 91 -4.465 -16.865 7.506 723 HB3 ARG 91 HB2 ARG 91 -5.569 -17.211 6.163 724 HG2 ARG 91 HG1 ARG 91 -4.735 -15.235 4.952 725 HG3 ARG 91 HG2 ARG 91 -3.685 -14.803 6.326 726 HD2 ARG 91 HD1 ARG 91 -2.367 -15.886 4.603 727 HD3 ARG 91 HD2 ARG 91 -2.436 -16.886 6.064 728 HE ARG 91 HE ARG 91 -4.480 -17.484 4.061 729 HH11 ARG 91 HH12 ARG 91 -1.112 -18.254 4.953 730 HH12 ARG 91 HH11 ARG 91 -1.185 -19.816 4.224 731 HH21 ARG 91 HH22 ARG 91 -4.501 -19.551 3.169 732 HH22 ARG 91 HH21 ARG 91 -3.061 -20.528 3.199 733 HA PRO 92 HA PRO 92 -4.877 -12.890 10.466 734 HB2 PRO 92 HB1 PRO 92 -3.471 -14.311 12.337 735 HB3 PRO 92 HB2 PRO 92 -5.253 -14.137 12.393 736 HG2 PRO 92 HG1 PRO 92 -3.646 -16.449 11.281 737 HG3 PRO 92 HG2 PRO 92 -5.063 -16.512 12.391 738 HD2 PRO 92 HD1 PRO 92 -5.318 -16.887 9.694 739 HD3 PRO 92 HD2 PRO 92 -6.564 -16.013 10.635 740 H LEU 93 H LEU 93 -2.985 -11.772 10.038 741 HA LEU 93 HA LEU 93 -1.149 -13.029 8.148 742 HB2 LEU 93 HB1 LEU 93 -1.437 -10.275 9.336 743 HB3 LEU 93 HB2 LEU 93 0.043 -10.735 8.438 744 HG LEU 93 HG LEU 93 -1.295 -9.499 6.993 745 HD11 LEU 93 HD11 LEU 93 -0.153 -11.556 6.103 746 HD12 LEU 93 HD12 LEU 93 -1.477 -10.928 5.121 747 HD13 LEU 93 HD13 LEU 93 -1.734 -12.373 6.115 748 HD21 LEU 93 HD21 LEU 93 -3.625 -11.378 7.484 749 HD22 LEU 93 HD22 LEU 93 -3.566 -10.050 6.309 750 HD23 LEU 93 HD23 LEU 93 -3.469 -9.691 8.041 751 H LYS 94 H LYS 94 0.511 -14.185 8.613 752 HA LYS 94 HA LYS 94 1.870 -14.039 11.262 753 HB2 LYS 94 HB1 LYS 94 0.874 -16.143 10.819 754 HB3 LYS 94 HB2 LYS 94 1.516 -16.221 9.185 755 HG2 LYS 94 HG1 LYS 94 3.525 -16.032 11.390 756 HG3 LYS 94 HG2 LYS 94 2.551 -17.522 11.361 757 HD2 LYS 94 HD1 LYS 94 4.172 -16.499 9.004 758 HD3 LYS 94 HD2 LYS 94 4.755 -17.700 10.178 759 HE2 LYS 94 HE1 LYS 94 3.022 -19.267 9.517 760 HE3 LYS 94 HE2 LYS 94 2.231 -18.024 8.504 761 HZ1 LYS 94 HZ1 LYS 94 4.530 -18.053 7.315 762 HZ2 LYS 94 HZ2 LYS 94 4.616 -19.588 7.904 763 HZ3 LYS 94 HZ3 LYS 94 3.349 -19.092 6.942 764 H ALA 95 H ALA 95 3.907 -13.110 11.319 765 HA ALA 95 HA ALA 95 5.317 -12.180 9.014 766 HB1 ALA 95 HB1 ALA 95 6.328 -12.819 11.818 767 HB2 ALA 95 HB2 ALA 95 7.182 -11.854 10.599 768 HB3 ALA 95 HB3 ALA 95 5.656 -11.259 11.273 769 H GLY 96 H GLY 96 6.761 -13.167 7.658 770 HA2 GLY 96 HA3 GLY 96 7.941 -14.943 6.682 771 HA3 GLY 96 HA2 GLY 96 7.713 -15.904 8.161 772 H GLU 97 H GLU 97 5.069 -14.376 6.394 773 HA GLU 97 HA GLU 97 4.485 -16.870 4.846 774 HB2 GLU 97 HB1 GLU 97 2.726 -14.436 5.278 775 HB3 GLU 97 HB2 GLU 97 2.315 -15.788 4.234 776 HG2 GLU 97 HG1 GLU 97 2.777 -16.373 7.119 777 HG3 GLU 97 HG2 GLU 97 1.330 -15.437 6.669 778 H GLU 98 H GLU 98 3.660 -16.082 2.650 779 HA GLU 98 HA GLU 98 4.877 -13.558 1.668 780 HB2 GLU 98 HB1 GLU 98 4.672 -16.185 0.156 781 HB3 GLU 98 HB2 GLU 98 4.953 -14.593 -0.600 782 HG2 GLU 98 HG1 GLU 98 7.019 -14.358 0.798 783 HG3 GLU 98 HG2 GLU 98 6.787 -16.016 1.373 784 H VAL 99 H VAL 99 3.464 -12.404 0.297 785 HA VAL 99 HA VAL 99 0.658 -13.453 0.002 786 HB VAL 99 HB VAL 99 1.656 -10.746 0.958 787 HG11 VAL 99 HG11 VAL 99 0.115 -10.069 -0.815 788 HG12 VAL 99 HG12 VAL 99 -1.038 -11.334 -0.312 789 HG13 VAL 99 HG13 VAL 99 -0.744 -9.928 0.718 790 HG21 VAL 99 HG21 VAL 99 1.043 -12.549 2.599 791 HG22 VAL 99 HG22 VAL 99 0.001 -11.127 2.726 792 HG23 VAL 99 HG23 VAL 99 -0.579 -12.588 1.899 793 H GLU 100 H GLU 100 0.040 -13.569 -2.011 794 HA GLU 100 HA GLU 100 1.258 -11.985 -4.175 795 HB2 GLU 100 HB1 GLU 100 -1.073 -13.898 -4.035 796 HB3 GLU 100 HB2 GLU 100 -0.834 -12.784 -5.421 797 HG2 GLU 100 HG1 GLU 100 1.577 -13.819 -5.469 798 HG3 GLU 100 HG2 GLU 100 0.822 -15.159 -4.593 799 H LEU 101 H LEU 101 0.469 -10.221 -5.102 800 HA LEU 101 HA LEU 101 -1.984 -8.944 -4.129 801 HB2 LEU 101 HB1 LEU 101 0.636 -8.460 -3.090 802 HB3 LEU 101 HB2 LEU 101 0.144 -7.009 -3.968 803 HG LEU 101 HG LEU 101 -1.633 -8.346 -1.934 804 HD11 LEU 101 HD11 LEU 101 -0.882 -6.651 -0.349 805 HD12 LEU 101 HD12 LEU 101 0.317 -6.066 -1.550 806 HD13 LEU 101 HD13 LEU 101 0.451 -7.708 -0.858 807 HD21 LEU 101 HD21 LEU 101 -2.596 -6.623 -3.623 808 HD22 LEU 101 HD22 LEU 101 -1.545 -5.429 -2.859 809 HD23 LEU 101 HD23 LEU 101 -2.822 -6.217 -1.909 810 H ASP 102 H ASP 102 -3.038 -8.352 -5.745 811 HA ASP 102 HA ASP 102 -1.995 -7.727 -8.439 812 HB2 ASP 102 HB1 ASP 102 -4.675 -8.153 -7.117 813 HB3 ASP 102 HB2 ASP 102 -4.577 -7.396 -8.714 814 H LEU 103 H LEU 103 -0.895 -5.728 -8.152 815 HA LEU 103 HA LEU 103 -2.117 -3.391 -6.946 816 HB2 LEU 103 HB1 LEU 103 0.104 -3.552 -9.003 817 HB3 LEU 103 HB2 LEU 103 -0.236 -2.190 -7.931 818 HG LEU 103 HG LEU 103 0.847 -4.930 -7.150 819 HD11 LEU 103 HD11 LEU 103 2.443 -3.448 -8.325 820 HD12 LEU 103 HD12 LEU 103 2.905 -3.688 -6.635 821 HD13 LEU 103 HD13 LEU 103 2.135 -2.166 -7.132 822 HD21 LEU 103 HD21 LEU 103 1.179 -3.946 -4.878 823 HD22 LEU 103 HD22 LEU 103 -0.522 -4.130 -5.302 824 HD23 LEU 103 HD23 LEU 103 0.238 -2.520 -5.377 825 H LEU 104 H LEU 104 -3.654 -2.077 -7.789 826 HA LEU 104 HA LEU 104 -4.596 -2.578 -10.553 827 HB2 LEU 104 HB1 LEU 104 -5.940 -0.932 -8.400 828 HB3 LEU 104 HB2 LEU 104 -6.666 -1.598 -9.871 829 HG LEU 104 HG LEU 104 -5.794 -3.085 -7.400 830 HD11 LEU 104 HD11 LEU 104 -7.877 -1.815 -7.158 831 HD12 LEU 104 HD12 LEU 104 -8.180 -3.559 -7.106 832 HD13 LEU 104 HD13 LEU 104 -8.556 -2.636 -8.579 833 HD21 LEU 104 HD21 LEU 104 -7.018 -4.222 -9.957 834 HD22 LEU 104 HD22 LEU 104 -6.800 -5.124 -8.438 835 HD23 LEU 104 HD23 LEU 104 -5.389 -4.553 -9.332 836 H PHE 105 H PHE 105 -4.394 -1.171 -12.169 837 HA PHE 105 HA PHE 105 -3.455 1.611 -11.533 838 HB2 PHE 105 HB1 PHE 105 -2.517 -0.454 -13.522 839 HB3 PHE 105 HB2 PHE 105 -2.129 1.242 -13.724 840 HD1 PHE 105 HD2 PHE 105 -0.872 2.387 -11.723 841 HD2 PHE 105 HD1 PHE 105 -1.199 -1.889 -12.194 842 HE1 PHE 105 HE2 PHE 105 1.074 2.070 -10.209 843 HE2 PHE 105 HE1 PHE 105 0.763 -2.187 -10.712 844 HZ PHE 105 HZ PHE 105 1.886 -0.225 -9.706 845 H ALA 106 H ALA 106 -4.253 3.222 -12.643 846 HA ALA 106 HA ALA 106 -6.859 3.194 -13.342 847 HB1 ALA 106 HB1 ALA 106 -4.825 5.213 -14.367 848 HB2 ALA 106 HB2 ALA 106 -6.569 5.486 -14.165 849 HB3 ALA 106 HB3 ALA 106 -5.554 5.204 -12.739 850 H GLY 107 H GLY 107 -8.166 2.760 -14.916 851 HA2 GLY 107 HA3 GLY 107 -8.954 2.291 -17.104 852 HA3 GLY 107 HA2 GLY 107 -7.287 2.356 -17.720 853 H GLY 108 H GLY 108 -7.299 0.303 -18.633 854 HA2 GLY 108 HA3 GLY 108 -7.939 -2.046 -16.984 855 HA3 GLY 108 HA2 GLY 108 -7.642 -2.009 -18.737 856 H LYS 109 H LYS 109 -5.575 -1.093 -15.793 857 HA LYS 109 HA LYS 109 -3.661 -3.188 -16.704 858 HB2 LYS 109 HB1 LYS 109 -3.288 -0.388 -15.634 859 HB3 LYS 109 HB2 LYS 109 -2.093 -1.678 -15.326 860 HG2 LYS 109 HG1 LYS 109 -1.141 -0.664 -17.108 861 HG3 LYS 109 HG2 LYS 109 -2.068 -1.927 -17.915 862 HD2 LYS 109 HD1 LYS 109 -2.319 0.167 -19.129 863 HD3 LYS 109 HD2 LYS 109 -3.872 -0.208 -18.366 864 HE2 LYS 109 HE1 LYS 109 -3.325 1.349 -16.510 865 HE3 LYS 109 HE2 LYS 109 -1.737 1.675 -17.228 866 HZ1 LYS 109 HZ1 LYS 109 -3.444 3.359 -17.683 867 HZ2 LYS 109 HZ2 LYS 109 -4.344 2.283 -18.488 868 HZ3 LYS 109 HZ3 LYS 109 -2.852 2.707 -19.083 869 H VAL 110 H VAL 110 -3.167 -4.683 -15.173 870 HA VAL 110 HA VAL 110 -3.073 -3.904 -12.392 871 HB VAL 110 HB VAL 110 -5.207 -4.915 -12.446 872 HG11 VAL 110 HG11 VAL 110 -5.707 -7.175 -13.265 873 HG12 VAL 110 HG12 VAL 110 -5.194 -6.091 -14.557 874 HG13 VAL 110 HG13 VAL 110 -4.061 -7.308 -13.916 875 HG21 VAL 110 HG21 VAL 110 -4.988 -6.815 -10.936 876 HG22 VAL 110 HG22 VAL 110 -3.312 -7.091 -11.445 877 HG23 VAL 110 HG23 VAL 110 -3.736 -5.627 -10.542 878 H LEU 111 H LEU 111 -1.308 -4.812 -11.395 879 HA LEU 111 HA LEU 111 0.375 -6.750 -12.950 880 HB2 LEU 111 HB1 LEU 111 1.287 -4.233 -11.506 881 HB3 LEU 111 HB2 LEU 111 2.370 -5.462 -12.182 882 HG LEU 111 HG LEU 111 0.457 -3.711 -13.793 883 HD11 LEU 111 HD11 LEU 111 2.295 -2.412 -12.773 884 HD12 LEU 111 HD12 LEU 111 2.481 -2.524 -14.530 885 HD13 LEU 111 HD13 LEU 111 3.483 -3.536 -13.466 886 HD21 LEU 111 HD21 LEU 111 0.911 -5.857 -14.945 887 HD22 LEU 111 HD22 LEU 111 2.656 -5.627 -14.708 888 HD23 LEU 111 HD23 LEU 111 1.739 -4.528 -15.759 889 H LYS 112 H LYS 112 0.349 -8.549 -11.771 890 HA LYS 112 HA LYS 112 -0.030 -8.410 -8.899 891 HB2 LYS 112 HB1 LYS 112 -1.061 -10.124 -10.448 892 HB3 LYS 112 HB2 LYS 112 0.522 -10.908 -10.524 893 HG2 LYS 112 HG1 LYS 112 0.517 -11.311 -8.143 894 HG3 LYS 112 HG2 LYS 112 -0.887 -10.240 -7.895 895 HD2 LYS 112 HD1 LYS 112 -1.499 -12.590 -7.685 896 HD3 LYS 112 HD2 LYS 112 -2.360 -11.810 -9.022 897 HE2 LYS 112 HE1 LYS 112 -1.094 -12.963 -10.655 898 HE3 LYS 112 HE2 LYS 112 0.220 -13.322 -9.488 899 HZ1 LYS 112 HZ1 LYS 112 -1.127 -14.830 -8.381 900 HZ2 LYS 112 HZ2 LYS 112 -1.165 -15.264 -9.940 901 HZ3 LYS 112 HZ3 LYS 112 -2.476 -14.493 -9.245 902 H VAL 113 H VAL 113 1.444 -8.283 -7.404 903 HA VAL 113 HA VAL 113 4.277 -9.142 -7.925 904 HB VAL 113 HB VAL 113 5.065 -7.511 -6.357 905 HG11 VAL 113 HG11 VAL 113 3.268 -6.120 -8.385 906 HG12 VAL 113 HG12 VAL 113 4.737 -5.470 -7.630 907 HG13 VAL 113 HG13 VAL 113 4.851 -6.850 -8.734 908 HG21 VAL 113 HG21 VAL 113 2.205 -6.506 -6.040 909 HG22 VAL 113 HG22 VAL 113 3.172 -7.318 -4.793 910 HG23 VAL 113 HG23 VAL 113 3.660 -5.731 -5.388 911 H VAL 114 H VAL 114 5.431 -9.812 -5.916 912 HA VAL 114 HA VAL 114 3.630 -11.006 -3.878 913 HB VAL 114 HB VAL 114 4.876 -12.702 -5.195 914 HG11 VAL 114 HG11 VAL 114 7.392 -11.616 -3.859 915 HG12 VAL 114 HG12 VAL 114 6.986 -11.445 -5.583 916 HG13 VAL 114 HG13 VAL 114 7.259 -13.051 -4.891 917 HG21 VAL 114 HG21 VAL 114 4.071 -13.146 -2.903 918 HG22 VAL 114 HG22 VAL 114 5.542 -14.045 -3.287 919 HG23 VAL 114 HG23 VAL 114 5.635 -12.611 -2.246 920 H LEU 115 H LEU 115 4.147 -10.591 -1.743 921 HA LEU 115 HA LEU 115 6.622 -9.090 -1.090 922 HB2 LEU 115 HB1 LEU 115 3.875 -8.416 0.044 923 HB3 LEU 115 HB2 LEU 115 5.404 -7.669 0.533 924 HG LEU 115 HG LEU 115 4.194 -7.398 -2.254 925 HD11 LEU 115 HD11 LEU 115 2.668 -6.503 -0.536 926 HD12 LEU 115 HD12 LEU 115 3.377 -5.208 -1.503 927 HD13 LEU 115 HD13 LEU 115 3.986 -5.525 0.140 928 HD21 LEU 115 HD21 LEU 115 6.654 -6.944 -2.095 929 HD22 LEU 115 HD22 LEU 115 6.335 -5.771 -0.804 930 HD23 LEU 115 HD23 LEU 115 5.725 -5.478 -2.446 931 HA PRO 116 HA PRO 116 6.432 -12.144 2.285 932 HB2 PRO 116 HB1 PRO 116 8.227 -11.084 4.033 933 HB3 PRO 116 HB2 PRO 116 8.728 -11.876 2.507 934 HG2 PRO 116 HG1 PRO 116 8.339 -8.909 3.013 935 HG3 PRO 116 HG2 PRO 116 9.758 -9.723 2.261 936 HD2 PRO 116 HD1 PRO 116 7.782 -8.610 0.749 937 HD3 PRO 116 HD2 PRO 116 8.566 -10.143 0.265 938 H VAL 117 H VAL 117 5.436 -12.249 4.343 939 HA VAL 117 HA VAL 117 4.126 -9.806 5.348 940 HB VAL 117 HB VAL 117 3.956 -12.700 6.212 941 HG11 VAL 117 HG11 VAL 117 3.516 -11.208 8.107 942 HG12 VAL 117 HG12 VAL 117 2.344 -10.289 7.135 943 HG13 VAL 117 HG13 VAL 117 2.016 -11.976 7.565 944 HG21 VAL 117 HG21 VAL 117 1.661 -12.601 5.262 945 HG22 VAL 117 HG22 VAL 117 1.920 -10.942 4.769 946 HG23 VAL 117 HG23 VAL 117 2.864 -12.247 4.012 947 H GLU 118 H GLU 118 4.769 -8.809 7.261 948 HA GLU 118 HA GLU 118 7.008 -9.874 8.852 949 HB2 GLU 118 HB1 GLU 118 7.546 -8.443 6.582 950 HB3 GLU 118 HB2 GLU 118 7.511 -7.145 7.767 951 HG2 GLU 118 HG1 GLU 118 9.153 -9.672 8.186 952 HG3 GLU 118 HG2 GLU 118 9.763 -8.285 7.243 953 H ALA 119 H ALA 119 7.544 -8.415 10.698 954 HA ALA 119 HA ALA 119 4.958 -7.524 11.890 955 HB1 ALA 119 HB1 ALA 119 5.994 -8.273 14.012 956 HB2 ALA 119 HB2 ALA 119 5.922 -9.590 12.828 957 HB3 ALA 119 HB3 ALA 119 7.459 -8.745 13.130 958 H ARG 120 H ARG 120 5.392 -5.474 10.773 959 HA ARG 120 HA ARG 120 6.495 -3.635 12.812 960 HB2 ARG 120 HB1 ARG 120 6.900 -2.558 10.133 961 HB3 ARG 120 HB2 ARG 120 7.974 -2.577 11.548 962 HG2 ARG 120 HG1 ARG 120 8.531 -5.000 10.871 963 HG3 ARG 120 HG2 ARG 120 7.695 -4.663 9.342 964 HD2 ARG 120 HD1 ARG 120 10.019 -4.279 8.940 965 HD3 ARG 120 HD2 ARG 120 9.264 -2.679 9.049 966 HE ARG 120 HE ARG 120 10.447 -2.274 11.016 967 HH11 ARG 120 HH12 ARG 120 10.733 -5.728 10.320 968 HH12 ARG 120 HH11 ARG 120 11.781 -6.006 11.654 969 HH21 ARG 120 HH22 ARG 120 11.751 -2.738 12.749 970 HH22 ARG 120 HH21 ARG 120 12.396 -4.348 12.944 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 12.992 -4.736 -5.431 2 H2 GLY 1 2H GLY 1 13.267 -5.702 -6.718 3 H3 GLY 1 3H GLY 1 11.779 -5.059 -6.460 4 HA2 GLY 1 HA3 GLY 1 12.837 -3.848 -8.239 5 HA3 GLY 1 HA2 GLY 1 12.678 -2.815 -6.800 6 H SER 2 H SER 2 14.521 -1.649 -6.433 7 HA SER 2 HA SER 2 17.189 -3.002 -6.644 8 HB2 SER 2 HB1 SER 2 16.466 -0.266 -5.547 9 HB3 SER 2 HB2 SER 2 18.104 -0.915 -5.809 10 HG SER 2 HG SER 2 17.259 -1.139 -8.114 11 H PHE 3 H PHE 3 17.705 -1.437 -3.923 12 HA PHE 3 HA PHE 3 17.106 -3.651 -2.119 13 HB2 PHE 3 HB1 PHE 3 18.331 -0.902 -1.692 14 HB3 PHE 3 HB2 PHE 3 18.235 -2.178 -0.463 15 HD1 PHE 3 HD1 PHE 3 19.886 -1.107 -3.614 16 HD2 PHE 3 HD2 PHE 3 19.672 -4.149 -0.564 17 HE1 PHE 3 HE1 PHE 3 22.028 -2.077 -4.423 18 HE2 PHE 3 HE2 PHE 3 21.801 -5.118 -1.385 19 HZ PHE 3 HZ PHE 3 22.979 -4.086 -3.315 20 H THR 4 H THR 4 14.788 -3.038 -3.115 21 HA THR 4 HA THR 4 13.092 -1.471 -1.265 22 HB THR 4 HB THR 4 12.297 -0.060 -3.160 23 HG1 THR 4 HG1 THR 4 13.133 -1.554 -4.672 24 HG21 THR 4 HG21 THR 4 14.044 0.847 -1.594 25 HG22 THR 4 HG22 THR 4 14.018 1.577 -3.203 26 HG23 THR 4 HG23 THR 4 15.278 0.396 -2.798 27 H GLU 5 H GLU 5 11.344 -2.750 -1.044 28 HA GLU 5 HA GLU 5 10.009 -3.948 -3.325 29 HB2 GLU 5 HB1 GLU 5 11.937 -5.540 -2.375 30 HB3 GLU 5 HB2 GLU 5 10.680 -5.952 -1.192 31 HG2 GLU 5 HG1 GLU 5 10.204 -7.474 -2.881 32 HG3 GLU 5 HG2 GLU 5 9.140 -6.161 -3.378 33 H GLY 6 H GLY 6 8.501 -5.835 -1.548 34 HA2 GLY 6 HA3 GLY 6 7.190 -3.997 0.370 35 HA3 GLY 6 HA2 GLY 6 6.208 -4.943 -0.772 36 H TRP 7 H TRP 7 5.691 -5.149 1.818 37 HA TRP 7 HA TRP 7 6.096 -7.915 2.543 38 HB2 TRP 7 HB1 TRP 7 7.238 -7.635 4.592 39 HB3 TRP 7 HB2 TRP 7 8.235 -6.877 3.366 40 HD1 TRP 7 HD TRP 7 6.710 -6.332 6.663 41 HE1 TRP 7 HE1 TRP 7 7.032 -3.938 7.497 42 HE3 TRP 7 3HE TRP 7 8.381 -4.179 2.333 43 HZ2 TRP 7 HZ2 TRP 7 7.720 -1.355 6.373 44 HZ3 TRP 7 HZ3 TRP 7 8.819 -1.749 2.223 45 HH2 TRP 7 HH TRP 7 8.480 -0.318 4.230 46 H VAL 8 H VAL 8 4.767 -8.509 4.451 47 HA VAL 8 HA VAL 8 2.662 -6.442 5.071 48 HB VAL 8 HB VAL 8 2.156 -9.406 4.684 49 HG11 VAL 8 HG11 VAL 8 0.227 -7.090 5.184 50 HG12 VAL 8 HG12 VAL 8 -0.234 -8.769 4.856 51 HG13 VAL 8 HG13 VAL 8 0.625 -8.372 6.345 52 HG21 VAL 8 HG21 VAL 8 2.463 -8.538 2.504 53 HG22 VAL 8 HG22 VAL 8 0.717 -8.414 2.735 54 HG23 VAL 8 HG23 VAL 8 1.721 -6.978 2.916 55 H ARG 9 H ARG 9 1.957 -6.241 7.128 56 HA ARG 9 HA ARG 9 3.812 -7.264 9.123 57 HB2 ARG 9 HB1 ARG 9 2.580 -4.917 8.936 58 HB3 ARG 9 HB2 ARG 9 1.327 -5.727 9.885 59 HG2 ARG 9 HG1 ARG 9 2.994 -6.326 11.605 60 HG3 ARG 9 HG2 ARG 9 4.301 -5.651 10.588 61 HD2 ARG 9 HD1 ARG 9 2.946 -3.429 10.728 62 HD3 ARG 9 HD2 ARG 9 2.132 -4.181 12.110 63 HE ARG 9 HE ARG 9 4.924 -4.573 12.436 64 HH11 ARG 9 HH12 ARG 9 2.875 -1.696 12.395 65 HH12 ARG 9 HH11 ARG 9 4.106 -0.754 13.217 66 HH21 ARG 9 HH22 ARG 9 6.354 -3.437 13.300 67 HH22 ARG 9 HH21 ARG 9 6.147 -1.753 13.760 68 H PHE 10 H PHE 10 3.601 -8.975 10.368 69 HA PHE 10 HA PHE 10 1.585 -10.912 10.408 70 HB2 PHE 10 HB1 PHE 10 3.598 -11.505 11.409 71 HB3 PHE 10 HB2 PHE 10 3.705 -9.984 12.321 72 HD1 PHE 10 HD2 PHE 10 2.526 -9.669 14.443 73 HD2 PHE 10 HD1 PHE 10 2.322 -13.399 12.313 74 HE1 PHE 10 HE2 PHE 10 1.509 -10.746 16.429 75 HE2 PHE 10 HE1 PHE 10 1.284 -14.480 14.294 76 HZ PHE 10 HZ PHE 10 0.857 -13.144 16.349 77 H SER 11 H SER 11 -0.261 -11.327 11.619 78 HA SER 11 HA SER 11 -1.110 -9.543 13.738 79 HB2 SER 11 HB1 SER 11 -1.680 -8.152 11.777 80 HB3 SER 11 HB2 SER 11 -2.730 -9.453 11.173 81 HG SER 11 HG SER 11 -3.918 -7.904 12.386 82 HA PRO 12 HA PRO 12 -3.944 -13.116 14.229 83 HB2 PRO 12 HB1 PRO 12 -4.429 -12.932 16.855 84 HB3 PRO 12 HB2 PRO 12 -2.783 -13.353 16.293 85 HG2 PRO 12 HG1 PRO 12 -3.819 -10.625 17.126 86 HG3 PRO 12 HG2 PRO 12 -2.315 -11.449 17.671 87 HD2 PRO 12 HD1 PRO 12 -2.437 -9.599 15.586 88 HD3 PRO 12 HD2 PRO 12 -1.206 -10.889 15.701 89 H GLY 13 H GLY 13 -4.505 -9.822 13.996 90 HA2 GLY 13 HA3 GLY 13 -7.171 -9.774 15.261 91 HA3 GLY 13 HA2 GLY 13 -6.190 -8.377 14.762 92 HA PRO 14 HA PRO 14 -9.590 -9.470 11.651 93 HB2 PRO 14 HB1 PRO 14 -11.452 -7.551 12.133 94 HB3 PRO 14 HB2 PRO 14 -11.325 -9.023 13.143 95 HG2 PRO 14 HG1 PRO 14 -10.124 -6.288 13.697 96 HG3 PRO 14 HG2 PRO 14 -11.128 -7.296 14.801 97 HD2 PRO 14 HD1 PRO 14 -8.397 -7.316 14.911 98 HD3 PRO 14 HD2 PRO 14 -9.352 -8.804 15.176 99 H ASN 15 H ASN 15 -7.695 -6.620 12.322 100 HA ASN 15 HA ASN 15 -7.814 -6.008 9.435 101 HB2 ASN 15 HB1 ASN 15 -7.558 -3.705 9.750 102 HB3 ASN 15 HB2 ASN 15 -8.837 -4.162 10.879 103 HD21 ASN 15 HD21 ASN 15 -6.009 -2.355 10.555 104 HD22 ASN 15 HD22 ASN 15 -5.577 -2.276 12.264 105 H ALA 16 H ALA 16 -5.759 -5.074 8.608 106 HA ALA 16 HA ALA 16 -3.302 -5.317 10.146 107 HB1 ALA 16 HB1 ALA 16 -3.644 -7.683 9.581 108 HB2 ALA 16 HB2 ALA 16 -3.807 -7.281 7.869 109 HB3 ALA 16 HB3 ALA 16 -2.253 -7.053 8.695 110 H ALA 17 H ALA 17 -1.376 -5.108 8.385 111 HA ALA 17 HA ALA 17 -2.033 -2.878 6.525 112 HB1 ALA 17 HB1 ALA 17 0.186 -2.853 8.625 113 HB2 ALA 17 HB2 ALA 17 -0.168 -1.577 7.445 114 HB3 ALA 17 HB3 ALA 17 -1.326 -1.930 8.744 115 H ALA 18 H ALA 18 -0.883 -2.813 4.712 116 HA ALA 18 HA ALA 18 1.519 -4.558 4.379 117 HB1 ALA 18 HB1 ALA 18 -0.367 -5.640 3.274 118 HB2 ALA 18 HB2 ALA 18 -0.791 -4.138 2.428 119 HB3 ALA 18 HB3 ALA 18 0.725 -4.973 2.048 120 H TYR 19 H TYR 19 3.101 -3.866 3.014 121 HA TYR 19 HA TYR 19 3.106 -1.001 2.149 122 HB2 TYR 19 HB1 TYR 19 5.494 -2.352 3.392 123 HB3 TYR 19 HB2 TYR 19 5.165 -0.631 3.243 124 HD1 TYR 19 HD1 TYR 19 3.475 0.428 4.836 125 HD2 TYR 19 HD2 TYR 19 4.784 -3.648 5.232 126 HE1 TYR 19 HE1 TYR 19 2.607 0.377 7.172 127 HE2 TYR 19 HE2 TYR 19 4.011 -3.707 7.572 128 HH TYR 19 HH TYR 19 2.412 -0.838 9.077 129 H LEU 20 H LEU 20 4.538 -0.599 0.321 130 HA LEU 20 HA LEU 20 6.226 -2.602 -0.748 131 HB2 LEU 20 HB1 LEU 20 5.051 -3.210 -2.799 132 HB3 LEU 20 HB2 LEU 20 4.243 -3.811 -1.346 133 HG LEU 20 HG LEU 20 2.838 -1.506 -1.724 134 HD11 LEU 20 HD11 LEU 20 3.605 -2.432 -4.530 135 HD12 LEU 20 HD12 LEU 20 4.068 -0.884 -3.799 136 HD13 LEU 20 HD13 LEU 20 2.366 -1.225 -4.126 137 HD21 LEU 20 HD21 LEU 20 1.143 -2.968 -2.843 138 HD22 LEU 20 HD22 LEU 20 1.858 -3.694 -1.410 139 HD23 LEU 20 HD23 LEU 20 2.384 -4.219 -3.026 140 H THR 21 H THR 21 7.360 -2.176 -2.538 141 HA THR 21 HA THR 21 7.917 0.641 -3.041 142 HB THR 21 HB THR 21 9.126 -2.041 -3.881 143 HG1 THR 21 HG1 THR 21 9.493 -1.347 -1.840 144 HG21 THR 21 HG21 THR 21 9.495 -0.459 -5.789 145 HG22 THR 21 HG22 THR 21 10.972 -0.750 -4.888 146 HG23 THR 21 HG23 THR 21 10.084 0.776 -4.657 147 H LEU 22 H LEU 22 6.840 1.851 -4.502 148 HA LEU 22 HA LEU 22 5.978 0.535 -7.013 149 HB2 LEU 22 HB1 LEU 22 4.383 1.929 -5.474 150 HB3 LEU 22 HB2 LEU 22 5.174 3.331 -6.191 151 HG LEU 22 HG LEU 22 3.196 2.961 -7.411 152 HD11 LEU 22 HD11 LEU 22 5.308 3.319 -8.788 153 HD12 LEU 22 HD12 LEU 22 3.922 2.623 -9.662 154 HD13 LEU 22 HD13 LEU 22 5.270 1.587 -9.149 155 HD21 LEU 22 HD21 LEU 22 3.948 0.033 -7.833 156 HD22 LEU 22 HD22 LEU 22 2.462 0.860 -8.341 157 HD23 LEU 22 HD23 LEU 22 2.793 0.618 -6.620 158 H GLU 23 H GLU 23 7.421 0.639 -8.457 159 HA GLU 23 HA GLU 23 8.868 3.159 -9.018 160 HB2 GLU 23 HB1 GLU 23 10.759 1.828 -9.910 161 HB3 GLU 23 HB2 GLU 23 10.554 1.811 -8.138 162 HG2 GLU 23 HG1 GLU 23 9.463 -0.474 -8.426 163 HG3 GLU 23 HG2 GLU 23 10.017 -0.441 -10.108 164 H ASN 24 H ASN 24 8.417 3.938 -10.924 165 HA ASN 24 HA ASN 24 6.863 2.293 -12.841 166 HB2 ASN 24 HB1 ASN 24 5.958 4.450 -12.030 167 HB3 ASN 24 HB2 ASN 24 7.351 5.291 -12.726 168 HD21 ASN 24 HD21 ASN 24 4.925 6.137 -13.672 169 HD22 ASN 24 HD22 ASN 24 4.791 5.586 -15.347 170 HA PRO 25 HA PRO 25 10.836 2.380 -15.145 171 HB2 PRO 25 HB1 PRO 25 10.588 0.053 -16.523 172 HB3 PRO 25 HB2 PRO 25 10.944 0.055 -14.768 173 HG2 PRO 25 HG1 PRO 25 8.224 -0.227 -16.097 174 HG3 PRO 25 HG2 PRO 25 8.956 -1.311 -14.862 175 HD2 PRO 25 HD1 PRO 25 7.230 0.692 -14.182 176 HD3 PRO 25 HD2 PRO 25 8.640 0.278 -13.161 177 H GLY 26 H GLY 26 7.556 2.680 -16.143 178 HA2 GLY 26 HA3 GLY 26 7.956 2.472 -19.009 179 HA3 GLY 26 HA2 GLY 26 6.488 2.982 -18.145 180 H ASP 27 H ASP 27 7.315 4.186 -20.477 181 HA ASP 27 HA ASP 27 8.700 6.690 -19.928 182 HB2 ASP 27 HB1 ASP 27 8.600 5.137 -22.071 183 HB3 ASP 27 HB2 ASP 27 7.169 6.089 -22.463 184 H LEU 28 H LEU 28 5.557 5.708 -19.386 185 HA LEU 28 HA LEU 28 4.487 8.475 -19.486 186 HB2 LEU 28 HB1 LEU 28 2.356 7.623 -20.219 187 HB3 LEU 28 HB2 LEU 28 3.663 7.164 -21.342 188 HG LEU 28 HG LEU 28 3.590 4.849 -20.203 189 HD11 LEU 28 HD11 LEU 28 2.266 5.246 -18.209 190 HD12 LEU 28 HD12 LEU 28 1.273 4.285 -19.291 191 HD13 LEU 28 HD13 LEU 28 0.980 6.035 -19.144 192 HD21 LEU 28 HD21 LEU 28 1.176 5.847 -21.779 193 HD22 LEU 28 HD22 LEU 28 1.700 4.153 -21.635 194 HD23 LEU 28 HD23 LEU 28 2.730 5.326 -22.466 195 HA PRO 29 HA PRO 29 3.692 7.999 -15.286 196 HB2 PRO 29 HB1 PRO 29 1.519 9.529 -14.696 197 HB3 PRO 29 HB2 PRO 29 3.025 10.224 -15.358 198 HG2 PRO 29 HG1 PRO 29 0.503 9.489 -16.848 199 HG3 PRO 29 HG2 PRO 29 1.483 10.991 -16.993 200 HD2 PRO 29 HD1 PRO 29 1.692 8.836 -18.717 201 HD3 PRO 29 HD2 PRO 29 3.064 9.903 -18.360 202 H LEU 30 H LEU 30 2.530 6.998 -13.562 203 HA LEU 30 HA LEU 30 0.445 5.014 -14.400 204 HB2 LEU 30 HB1 LEU 30 3.014 4.803 -13.054 205 HB3 LEU 30 HB2 LEU 30 1.696 4.095 -12.102 206 HG LEU 30 HG LEU 30 1.087 2.649 -13.914 207 HD11 LEU 30 HD11 LEU 30 2.459 2.378 -15.943 208 HD12 LEU 30 HD12 LEU 30 3.333 3.871 -15.538 209 HD13 LEU 30 HD13 LEU 30 1.596 3.918 -15.914 210 HD21 LEU 30 HD21 LEU 30 3.011 1.185 -13.890 211 HD22 LEU 30 HD22 LEU 30 2.888 1.999 -12.319 212 HD23 LEU 30 HD23 LEU 30 4.086 2.551 -13.500 213 H ARG 31 H ARG 31 -1.390 5.218 -13.441 214 HA ARG 31 HA ARG 31 -1.655 6.538 -10.760 215 HB2 ARG 31 HB1 ARG 31 -2.911 7.694 -12.569 216 HB3 ARG 31 HB2 ARG 31 -3.869 6.212 -12.798 217 HG2 ARG 31 HG1 ARG 31 -4.820 6.373 -10.618 218 HG3 ARG 31 HG2 ARG 31 -3.655 7.601 -10.091 219 HD2 ARG 31 HD1 ARG 31 -5.711 8.097 -12.258 220 HD3 ARG 31 HD2 ARG 31 -5.970 8.452 -10.528 221 HE ARG 31 HE ARG 31 -3.824 9.897 -10.778 222 HH11 ARG 31 HH12 ARG 31 -6.476 9.832 -13.089 223 HH12 ARG 31 HH11 ARG 31 -5.983 11.358 -13.777 224 HH21 ARG 31 HH22 ARG 31 -3.177 11.660 -11.725 225 HH22 ARG 31 HH21 ARG 31 -4.095 12.425 -12.993 226 H LEU 32 H LEU 32 -1.936 5.254 -9.175 227 HA LEU 32 HA LEU 32 -2.636 2.375 -9.479 228 HB2 LEU 32 HB1 LEU 32 -0.465 2.776 -8.605 229 HB3 LEU 32 HB2 LEU 32 -1.038 4.078 -7.538 230 HG LEU 32 HG LEU 32 -2.190 2.380 -6.123 231 HD11 LEU 32 HD11 LEU 32 -1.549 -0.023 -6.432 232 HD12 LEU 32 HD12 LEU 32 -0.840 0.397 -8.011 233 HD13 LEU 32 HD13 LEU 32 -2.585 0.582 -7.720 234 HD21 LEU 32 HD21 LEU 32 0.772 1.925 -6.647 235 HD22 LEU 32 HD22 LEU 32 -0.095 1.462 -5.162 236 HD23 LEU 32 HD23 LEU 32 0.075 3.173 -5.593 237 H VAL 33 H VAL 33 -4.672 1.872 -8.906 238 HA VAL 33 HA VAL 33 -6.250 3.905 -7.360 239 HB VAL 33 HB VAL 33 -8.210 3.244 -8.648 240 HG11 VAL 33 HG11 VAL 33 -7.593 4.186 -10.800 241 HG12 VAL 33 HG12 VAL 33 -6.704 5.030 -9.524 242 HG13 VAL 33 HG13 VAL 33 -5.879 3.823 -10.528 243 HG21 VAL 33 HG21 VAL 33 -8.120 1.751 -10.571 244 HG22 VAL 33 HG22 VAL 33 -6.415 1.397 -10.274 245 HG23 VAL 33 HG23 VAL 33 -7.655 0.855 -9.120 246 H GLY 34 H GLY 34 -5.138 0.690 -7.155 247 HA2 GLY 34 HA3 GLY 34 -6.048 0.320 -4.561 248 HA3 GLY 34 HA2 GLY 34 -7.250 -0.483 -5.597 249 H ALA 35 H ALA 35 -6.577 -2.502 -4.591 250 HA ALA 35 HA ALA 35 -4.684 -3.834 -6.285 251 HB1 ALA 35 HB1 ALA 35 -3.196 -2.882 -4.472 252 HB2 ALA 35 HB2 ALA 35 -4.046 -3.924 -3.310 253 HB3 ALA 35 HB3 ALA 35 -3.133 -4.621 -4.682 254 H ARG 36 H ARG 36 -4.491 -6.298 -5.464 255 HA ARG 36 HA ARG 36 -7.123 -7.275 -4.432 256 HB2 ARG 36 HB1 ARG 36 -5.923 -7.658 -7.187 257 HB3 ARG 36 HB2 ARG 36 -6.936 -8.940 -6.498 258 HG2 ARG 36 HG1 ARG 36 -7.856 -6.065 -6.794 259 HG3 ARG 36 HG2 ARG 36 -8.098 -7.325 -8.032 260 HD2 ARG 36 HD1 ARG 36 -9.598 -8.532 -6.686 261 HD3 ARG 36 HD2 ARG 36 -9.014 -7.788 -5.177 262 HE ARG 36 HE ARG 36 -10.561 -6.181 -5.383 263 HH11 ARG 36 HH12 ARG 36 -10.122 -7.411 -8.670 264 HH12 ARG 36 HH11 ARG 36 -11.367 -6.388 -9.317 265 HH21 ARG 36 HH22 ARG 36 -12.192 -4.964 -6.241 266 HH22 ARG 36 HH21 ARG 36 -12.579 -5.060 -7.929 267 H THR 37 H THR 37 -6.796 -8.838 -3.038 268 HA THR 37 HA THR 37 -4.327 -10.514 -3.015 269 HB THR 37 HB THR 37 -3.863 -8.486 -1.819 270 HG1 THR 37 HG1 THR 37 -2.936 -10.302 -1.081 271 HG21 THR 37 HG21 THR 37 -6.199 -9.154 -0.015 272 HG22 THR 37 HG22 THR 37 -5.994 -7.692 -0.997 273 HG23 THR 37 HG23 THR 37 -4.905 -7.998 0.367 274 HA PRO 38 HA PRO 38 -7.481 -13.139 -0.813 275 HB2 PRO 38 HB1 PRO 38 -5.863 -14.826 0.614 276 HB3 PRO 38 HB2 PRO 38 -6.188 -15.001 -1.139 277 HG2 PRO 38 HG1 PRO 38 -3.791 -13.709 0.168 278 HG3 PRO 38 HG2 PRO 38 -3.815 -14.931 -1.158 279 HD2 PRO 38 HD1 PRO 38 -3.590 -12.256 -1.662 280 HD3 PRO 38 HD2 PRO 38 -4.535 -13.333 -2.731 281 H VAL 39 H VAL 39 -4.725 -11.452 0.735 282 HA VAL 39 HA VAL 39 -5.856 -11.899 3.391 283 HB VAL 39 HB VAL 39 -3.937 -10.976 4.375 284 HG11 VAL 39 HG11 VAL 39 -3.891 -13.281 3.307 285 HG12 VAL 39 HG12 VAL 39 -2.993 -12.552 1.950 286 HG13 VAL 39 HG13 VAL 39 -2.310 -12.550 3.588 287 HG21 VAL 39 HG21 VAL 39 -3.512 -9.020 2.757 288 HG22 VAL 39 HG22 VAL 39 -2.082 -9.920 3.260 289 HG23 VAL 39 HG23 VAL 39 -2.780 -10.204 1.676 290 H ALA 40 H ALA 40 -7.490 -10.380 1.686 291 HA ALA 40 HA ALA 40 -8.603 -8.615 3.583 292 HB1 ALA 40 HB1 ALA 40 -7.367 -7.212 1.182 293 HB2 ALA 40 HB2 ALA 40 -8.479 -6.475 2.350 294 HB3 ALA 40 HB3 ALA 40 -6.878 -6.994 2.876 295 H GLU 41 H GLU 41 -10.621 -7.792 2.866 296 HA GLU 41 HA GLU 41 -11.643 -8.795 0.239 297 HB2 GLU 41 HB1 GLU 41 -12.845 -9.572 2.315 298 HB3 GLU 41 HB2 GLU 41 -13.225 -7.892 2.698 299 HG2 GLU 41 HG1 GLU 41 -15.148 -8.769 1.623 300 HG3 GLU 41 HG2 GLU 41 -14.372 -7.779 0.390 301 H ARG 42 H ARG 42 -12.607 -6.140 2.409 302 HA ARG 42 HA ARG 42 -12.155 -4.113 0.335 303 HB2 ARG 42 HB1 ARG 42 -14.062 -3.978 1.955 304 HB3 ARG 42 HB2 ARG 42 -12.889 -3.707 3.252 305 HG2 ARG 42 HG1 ARG 42 -12.024 -1.892 1.384 306 HG3 ARG 42 HG2 ARG 42 -13.740 -1.910 0.995 307 HD2 ARG 42 HD1 ARG 42 -12.525 -1.425 3.755 308 HD3 ARG 42 HD2 ARG 42 -13.067 -0.146 2.647 309 HE ARG 42 HE ARG 42 -15.271 -1.823 3.066 310 HH11 ARG 42 HH12 ARG 42 -13.186 0.290 4.997 311 HH12 ARG 42 HH11 ARG 42 -14.440 0.735 6.108 312 HH21 ARG 42 HH22 ARG 42 -16.909 -1.197 4.530 313 HH22 ARG 42 HH21 ARG 42 -16.529 -0.110 5.841 314 H VAL 43 H VAL 43 -10.004 -4.574 0.000 315 HA VAL 43 HA VAL 43 -7.966 -3.552 1.883 316 HB VAL 43 HB VAL 43 -7.181 -5.120 0.269 317 HG11 VAL 43 HG11 VAL 43 -8.779 -4.754 -1.585 318 HG12 VAL 43 HG12 VAL 43 -7.947 -3.232 -1.988 319 HG13 VAL 43 HG13 VAL 43 -7.094 -4.784 -2.112 320 HG21 VAL 43 HG21 VAL 43 -6.052 -2.410 -0.526 321 HG22 VAL 43 HG22 VAL 43 -5.628 -3.289 0.959 322 HG23 VAL 43 HG23 VAL 43 -5.248 -3.987 -0.626 323 H GLU 44 H GLU 44 -7.284 -1.432 2.065 324 HA GLU 44 HA GLU 44 -8.511 0.661 0.275 325 HB2 GLU 44 HB1 GLU 44 -8.070 0.730 3.284 326 HB3 GLU 44 HB2 GLU 44 -8.614 2.092 2.273 327 HG2 GLU 44 HG1 GLU 44 -10.692 0.872 1.763 328 HG3 GLU 44 HG2 GLU 44 -10.153 -0.486 2.773 329 H LEU 45 H LEU 45 -6.797 1.847 -0.782 330 HA LEU 45 HA LEU 45 -4.210 1.979 0.531 331 HB2 LEU 45 HB1 LEU 45 -4.581 1.798 -1.951 332 HB3 LEU 45 HB2 LEU 45 -5.203 3.448 -1.945 333 HG LEU 45 HG LEU 45 -2.522 2.877 -0.633 334 HD11 LEU 45 HD11 LEU 45 -2.957 3.166 -3.622 335 HD12 LEU 45 HD12 LEU 45 -2.415 1.715 -2.773 336 HD13 LEU 45 HD13 LEU 45 -1.376 3.152 -2.763 337 HD21 LEU 45 HD21 LEU 45 -3.532 5.145 -2.391 338 HD22 LEU 45 HD22 LEU 45 -1.970 5.089 -1.520 339 HD23 LEU 45 HD23 LEU 45 -3.474 5.182 -0.604 340 H HIS 46 H HIS 46 -3.720 3.285 2.029 341 HA HIS 46 HA HIS 46 -5.213 5.808 2.499 342 HB2 HIS 46 HB1 HIS 46 -3.748 3.897 4.321 343 HB3 HIS 46 HB2 HIS 46 -4.115 5.553 4.831 344 HD2 HIS 46 HD2 HIS 46 -6.937 3.731 2.957 345 HE1 HIS 46 HE1 HIS 46 -8.001 3.776 7.048 346 HE2 HIS 46 HE2 HIS 46 -8.788 3.161 4.705 347 H GLU 47 H GLU 47 -4.090 7.594 3.261 348 HA GLU 47 HA GLU 47 -1.204 7.833 2.488 349 HB2 GLU 47 HB1 GLU 47 -1.554 10.131 1.963 350 HB3 GLU 47 HB2 GLU 47 -2.699 9.165 1.018 351 HG2 GLU 47 HG1 GLU 47 -4.536 9.856 2.348 352 HG3 GLU 47 HG2 GLU 47 -3.503 10.477 3.650 353 H THR 48 H THR 48 -0.309 9.934 3.675 354 HA THR 48 HA THR 48 -1.294 10.276 6.447 355 HB THR 48 HB THR 48 1.527 9.364 5.814 356 HG1 THR 48 HG1 THR 48 -0.718 8.038 6.141 357 HG21 THR 48 HG21 THR 48 1.627 9.167 8.354 358 HG22 THR 48 HG22 THR 48 0.104 10.095 8.404 359 HG23 THR 48 HG23 THR 48 1.571 10.825 7.741 360 H PHE 49 H PHE 49 -1.879 12.224 5.488 361 HA PHE 49 HA PHE 49 0.222 14.159 4.754 362 HB2 PHE 49 HB1 PHE 49 -1.594 15.744 4.448 363 HB3 PHE 49 HB2 PHE 49 -1.896 14.266 3.540 364 HD1 PHE 49 HD2 PHE 49 -3.595 12.598 4.476 365 HD2 PHE 49 HD1 PHE 49 -3.117 16.534 6.143 366 HE1 PHE 49 HE2 PHE 49 -5.741 12.356 5.654 367 HE2 PHE 49 HE1 PHE 49 -5.287 16.288 7.324 368 HZ PHE 49 HZ PHE 49 -6.605 14.179 7.053 369 H MET 50 H MET 50 0.691 15.953 5.944 370 HA MET 50 HA MET 50 -0.107 16.007 8.824 371 HB2 MET 50 HB1 MET 50 1.617 17.620 9.195 372 HB3 MET 50 HB2 MET 50 2.313 16.183 8.432 373 HG2 MET 50 HG1 MET 50 2.479 17.331 6.303 374 HG3 MET 50 HG2 MET 50 1.574 18.726 6.919 375 HE1 MET 50 HE1 MET 50 4.172 19.174 5.392 376 HE2 MET 50 HE2 MET 50 3.279 20.494 6.196 377 HE3 MET 50 HE3 MET 50 5.032 20.328 6.432 378 H ARG 51 H ARG 51 -0.958 17.888 9.723 379 HA ARG 51 HA ARG 51 -2.045 20.028 7.987 380 HB2 ARG 51 HB1 ARG 51 -3.611 17.961 8.183 381 HB3 ARG 51 HB2 ARG 51 -3.809 18.431 9.881 382 HG2 ARG 51 HG1 ARG 51 -4.376 20.806 8.751 383 HG3 ARG 51 HG2 ARG 51 -4.765 19.784 7.353 384 HD2 ARG 51 HD1 ARG 51 -6.352 18.485 8.741 385 HD3 ARG 51 HD2 ARG 51 -5.894 19.461 10.168 386 HE ARG 51 HE ARG 51 -7.114 21.236 9.406 387 HH11 ARG 51 HH12 ARG 51 -7.067 18.871 6.790 388 HH12 ARG 51 HH11 ARG 51 -8.392 19.622 5.943 389 HH21 ARG 51 HH22 ARG 51 -8.849 22.131 8.300 390 HH22 ARG 51 HH21 ARG 51 -9.378 21.463 6.785 391 H GLU 52 H GLU 52 -2.595 21.908 9.180 392 HA GLU 52 HA GLU 52 -1.776 22.048 12.026 393 HB2 GLU 52 HB1 GLU 52 -2.430 24.171 10.020 394 HB3 GLU 52 HB2 GLU 52 -2.265 24.512 11.752 395 HG2 GLU 52 HG1 GLU 52 -0.125 23.145 10.113 396 HG3 GLU 52 HG2 GLU 52 -0.271 24.902 10.391 397 H VAL 53 H VAL 53 -3.095 23.243 13.322 398 HA VAL 53 HA VAL 53 -5.986 23.583 12.802 399 HB VAL 53 HB VAL 53 -5.339 22.484 15.533 400 HG11 VAL 53 HG11 VAL 53 -7.847 22.391 13.772 401 HG12 VAL 53 HG12 VAL 53 -7.739 21.962 15.491 402 HG13 VAL 53 HG13 VAL 53 -7.541 23.646 14.978 403 HG21 VAL 53 HG21 VAL 53 -4.581 20.650 14.076 404 HG22 VAL 53 HG22 VAL 53 -6.110 20.242 14.851 405 HG23 VAL 53 HG23 VAL 53 -6.096 20.740 13.148 406 H GLU 54 H GLU 54 -5.762 24.386 16.036 407 HA GLU 54 HA GLU 54 -5.051 27.150 15.459 408 HB2 GLU 54 HB1 GLU 54 -5.342 26.124 18.255 409 HB3 GLU 54 HB2 GLU 54 -5.737 27.718 17.561 410 HG2 GLU 54 HG1 GLU 54 -7.859 26.968 17.826 411 HG3 GLU 54 HG2 GLU 54 -7.586 26.195 16.268 412 H GLY 55 H GLY 55 -2.891 26.282 14.574 413 HA2 GLY 55 HA3 GLY 55 -0.584 26.281 14.702 414 HA3 GLY 55 HA2 GLY 55 -0.694 26.811 16.396 415 H LYS 56 H LYS 56 -2.572 24.053 16.159 416 HA LYS 56 HA LYS 56 -0.521 22.258 17.241 417 HB2 LYS 56 HB1 LYS 56 -3.461 21.821 16.635 418 HB3 LYS 56 HB2 LYS 56 -2.398 20.807 17.620 419 HG2 LYS 56 HG1 LYS 56 -2.356 22.485 19.382 420 HG3 LYS 56 HG2 LYS 56 -3.185 23.670 18.332 421 HD2 LYS 56 HD1 LYS 56 -5.113 22.051 18.163 422 HD3 LYS 56 HD2 LYS 56 -4.363 21.093 19.444 423 HE2 LYS 56 HE1 LYS 56 -4.664 22.837 21.052 424 HE3 LYS 56 HE2 LYS 56 -4.861 24.073 19.763 425 HZ1 LYS 56 HZ1 LYS 56 -6.926 23.152 19.177 426 HZ2 LYS 56 HZ2 LYS 56 -7.004 23.555 20.699 427 HZ3 LYS 56 HZ3 LYS 56 -6.847 21.939 20.289 428 H LYS 57 H LYS 57 0.457 20.709 16.030 429 HA LYS 57 HA LYS 57 -0.393 20.368 13.199 430 HB2 LYS 57 HB1 LYS 57 1.777 19.131 12.951 431 HB3 LYS 57 HB2 LYS 57 1.784 20.885 13.020 432 HG2 LYS 57 HG1 LYS 57 2.367 19.141 15.441 433 HG3 LYS 57 HG2 LYS 57 3.621 19.545 14.228 434 HD2 LYS 57 HD1 LYS 57 2.206 21.445 16.119 435 HD3 LYS 57 HD2 LYS 57 3.939 20.983 16.063 436 HE2 LYS 57 HE1 LYS 57 4.238 22.865 14.875 437 HE3 LYS 57 HE2 LYS 57 3.510 21.957 13.522 438 HZ1 LYS 57 HZ1 LYS 57 2.042 23.826 15.324 439 HZ2 LYS 57 HZ2 LYS 57 1.354 22.915 14.151 440 HZ3 LYS 57 HZ3 LYS 57 2.362 23.997 13.698 441 H VAL 58 H VAL 58 -1.295 18.532 12.489 442 HA VAL 58 HA VAL 58 -1.301 16.035 14.151 443 HB VAL 58 HB VAL 58 -3.723 17.418 12.952 444 HG11 VAL 58 HG11 VAL 58 -5.047 15.618 14.099 445 HG12 VAL 58 HG12 VAL 58 -4.050 15.004 12.787 446 HG13 VAL 58 HG13 VAL 58 -3.525 14.780 14.473 447 HG21 VAL 58 HG21 VAL 58 -2.970 16.972 15.873 448 HG22 VAL 58 HG22 VAL 58 -3.079 18.537 15.032 449 HG23 VAL 58 HG23 VAL 58 -4.537 17.589 15.306 450 H MET 59 H MET 59 -1.431 14.095 12.930 451 HA MET 59 HA MET 59 -1.354 14.377 9.958 452 HB2 MET 59 HB1 MET 59 0.042 12.482 11.838 453 HB3 MET 59 HB2 MET 59 -0.295 12.024 10.141 454 HG2 MET 59 HG1 MET 59 1.944 12.878 10.351 455 HG3 MET 59 HG2 MET 59 0.956 13.912 9.318 456 HE1 MET 59 HE1 MET 59 2.812 13.452 12.694 457 HE2 MET 59 HE2 MET 59 2.564 15.002 13.527 458 HE3 MET 59 HE3 MET 59 1.205 13.877 13.342 459 H GLY 60 H GLY 60 -3.059 13.618 8.889 460 HA2 GLY 60 HA3 GLY 60 -5.154 12.387 10.600 461 HA3 GLY 60 HA2 GLY 60 -5.418 13.498 9.237 462 H MET 61 H MET 61 -3.626 10.490 9.450 463 HA MET 61 HA MET 61 -3.761 9.308 7.085 464 HB2 MET 61 HB1 MET 61 -4.409 7.912 9.697 465 HB3 MET 61 HB2 MET 61 -3.999 7.070 8.175 466 HG2 MET 61 HG1 MET 61 -2.068 7.061 9.484 467 HG3 MET 61 HG2 MET 61 -1.787 8.223 8.204 468 HE1 MET 61 HE1 MET 61 0.299 8.242 10.069 469 HE2 MET 61 HE2 MET 61 0.193 9.158 11.594 470 HE3 MET 61 HE3 MET 61 -0.572 7.566 11.463 471 H ARG 62 H ARG 62 -5.156 8.811 5.550 472 HA ARG 62 HA ARG 62 -7.898 7.955 6.182 473 HB2 ARG 62 HB1 ARG 62 -8.977 9.606 4.847 474 HB3 ARG 62 HB2 ARG 62 -7.972 10.440 6.045 475 HG2 ARG 62 HG1 ARG 62 -6.234 10.783 4.279 476 HG3 ARG 62 HG2 ARG 62 -7.314 10.024 3.087 477 HD2 ARG 62 HD1 ARG 62 -8.969 11.779 3.367 478 HD3 ARG 62 HD2 ARG 62 -8.010 12.519 4.673 479 HE ARG 62 HE ARG 62 -6.218 12.394 2.611 480 HH11 ARG 62 HH12 ARG 62 -9.447 13.782 2.530 481 HH12 ARG 62 HH11 ARG 62 -9.009 14.841 1.208 482 HH21 ARG 62 HH22 ARG 62 -5.738 13.596 1.083 483 HH22 ARG 62 HH21 ARG 62 -6.826 14.792 0.375 484 HA PRO 63 HA PRO 63 -7.176 5.752 2.257 485 HB2 PRO 63 HB1 PRO 63 -9.721 5.372 1.339 486 HB3 PRO 63 HB2 PRO 63 -8.976 4.350 2.584 487 HG2 PRO 63 HG1 PRO 63 -10.848 6.652 2.940 488 HG3 PRO 63 HG2 PRO 63 -10.829 5.102 3.831 489 HD2 PRO 63 HD1 PRO 63 -9.803 7.467 4.823 490 HD3 PRO 63 HD2 PRO 63 -9.130 5.874 5.259 491 H VAL 64 H VAL 64 -7.017 6.289 0.152 492 HA VAL 64 HA VAL 64 -8.241 8.868 -0.781 493 HB VAL 64 HB VAL 64 -6.280 8.932 -2.426 494 HG11 VAL 64 HG11 VAL 64 -4.856 10.160 -0.832 495 HG12 VAL 64 HG12 VAL 64 -6.575 10.553 -0.645 496 HG13 VAL 64 HG13 VAL 64 -5.786 9.468 0.520 497 HG21 VAL 64 HG21 VAL 64 -4.163 7.941 -1.768 498 HG22 VAL 64 HG22 VAL 64 -4.892 7.196 -0.337 499 HG23 VAL 64 HG23 VAL 64 -5.366 6.656 -1.965 500 HA PRO 65 HA PRO 65 -9.990 6.407 -4.034 501 HB2 PRO 65 HB1 PRO 65 -10.225 8.158 -6.114 502 HB3 PRO 65 HB2 PRO 65 -11.208 8.289 -4.622 503 HG2 PRO 65 HG1 PRO 65 -8.635 9.758 -5.280 504 HG3 PRO 65 HG2 PRO 65 -10.189 10.461 -4.703 505 HD2 PRO 65 HD1 PRO 65 -8.159 9.901 -2.979 506 HD3 PRO 65 HD2 PRO 65 -9.860 9.594 -2.519 507 H PHE 66 H PHE 66 -6.772 7.776 -4.356 508 HA PHE 66 HA PHE 66 -5.751 5.579 -5.752 509 HB2 PHE 66 HB1 PHE 66 -5.076 6.644 -7.866 510 HB3 PHE 66 HB2 PHE 66 -6.814 6.384 -7.755 511 HD1 PHE 66 HD1 PHE 66 -4.119 8.961 -7.653 512 HD2 PHE 66 HD2 PHE 66 -8.362 8.221 -7.870 513 HE1 PHE 66 HE1 PHE 66 -4.493 11.317 -8.269 514 HE2 PHE 66 HE2 PHE 66 -8.737 10.595 -8.504 515 HZ PHE 66 HZ PHE 66 -6.798 12.150 -8.708 516 H LEU 67 H LEU 67 -3.537 5.849 -6.279 517 HA LEU 67 HA LEU 67 -2.122 8.293 -5.384 518 HB2 LEU 67 HB1 LEU 67 -1.578 5.444 -4.799 519 HB3 LEU 67 HB2 LEU 67 -0.203 6.217 -5.613 520 HG LEU 67 HG LEU 67 -1.483 7.058 -2.990 521 HD11 LEU 67 HD11 LEU 67 -0.007 5.029 -2.954 522 HD12 LEU 67 HD12 LEU 67 0.786 6.385 -2.140 523 HD13 LEU 67 HD13 LEU 67 1.275 5.942 -3.779 524 HD21 LEU 67 HD21 LEU 67 0.791 8.351 -4.587 525 HD22 LEU 67 HD22 LEU 67 0.505 8.656 -2.866 526 HD23 LEU 67 HD23 LEU 67 -0.715 9.129 -4.043 527 H GLU 68 H GLU 68 0.017 8.455 -6.768 528 HA GLU 68 HA GLU 68 0.039 6.974 -9.217 529 HB2 GLU 68 HB1 GLU 68 -0.191 8.697 -10.825 530 HB3 GLU 68 HB2 GLU 68 -1.644 8.670 -9.813 531 HG2 GLU 68 HG1 GLU 68 -0.519 10.628 -8.520 532 HG3 GLU 68 HG2 GLU 68 0.586 10.717 -9.908 533 H VAL 69 H VAL 69 1.838 7.502 -10.596 534 HA VAL 69 HA VAL 69 4.088 8.827 -9.220 535 HB VAL 69 HB VAL 69 4.363 5.986 -10.332 536 HG11 VAL 69 HG11 VAL 69 6.197 7.671 -8.581 537 HG12 VAL 69 HG12 VAL 69 6.470 5.969 -9.010 538 HG13 VAL 69 HG13 VAL 69 6.470 7.206 -10.269 539 HG21 VAL 69 HG21 VAL 69 4.541 5.234 -7.921 540 HG22 VAL 69 HG22 VAL 69 3.854 6.792 -7.452 541 HG23 VAL 69 HG23 VAL 69 2.917 5.666 -8.456 542 HA PRO 70 HA PRO 70 4.756 10.028 -13.497 543 HB2 PRO 70 HB1 PRO 70 7.185 11.275 -13.303 544 HB3 PRO 70 HB2 PRO 70 5.672 11.983 -12.663 545 HG2 PRO 70 HG1 PRO 70 7.761 10.386 -11.147 546 HG3 PRO 70 HG2 PRO 70 7.039 11.973 -10.695 547 HD2 PRO 70 HD1 PRO 70 6.095 9.636 -9.669 548 HD3 PRO 70 HD2 PRO 70 4.978 10.959 -10.113 549 HA PRO 71 HA PRO 71 7.259 6.858 -15.325 550 HB2 PRO 71 HB1 PRO 71 8.443 8.081 -17.494 551 HB3 PRO 71 HB2 PRO 71 6.734 7.557 -17.395 552 HG2 PRO 71 HG1 PRO 71 7.861 10.317 -17.016 553 HG3 PRO 71 HG2 PRO 71 6.356 9.815 -17.878 554 HD2 PRO 71 HD1 PRO 71 6.354 10.819 -15.326 555 HD3 PRO 71 HD2 PRO 71 5.172 9.613 -15.901 556 H LYS 72 H LYS 72 9.224 5.954 -15.104 557 HA LYS 72 HA LYS 72 11.341 5.570 -14.447 558 HB2 LYS 72 HB1 LYS 72 12.070 8.470 -14.802 559 HB3 LYS 72 HB2 LYS 72 13.105 7.046 -14.971 560 HG2 LYS 72 HG1 LYS 72 10.865 7.894 -16.846 561 HG3 LYS 72 HG2 LYS 72 12.604 8.106 -17.107 562 HD2 LYS 72 HD1 LYS 72 12.930 5.797 -17.521 563 HD3 LYS 72 HD2 LYS 72 11.389 5.345 -16.730 564 HE2 LYS 72 HE1 LYS 72 11.198 5.104 -19.140 565 HE3 LYS 72 HE2 LYS 72 10.107 6.359 -18.500 566 HZ1 LYS 72 HZ1 LYS 72 12.645 6.837 -19.945 567 HZ2 LYS 72 HZ2 LYS 72 11.663 8.014 -19.315 568 HZ3 LYS 72 HZ3 LYS 72 11.133 7.076 -20.524 569 H GLY 73 H GLY 73 9.294 7.337 -12.687 570 HA2 GLY 73 HA3 GLY 73 10.988 8.067 -10.426 571 HA3 GLY 73 HA2 GLY 73 9.246 8.364 -10.621 572 H ARG 74 H ARG 74 11.186 7.012 -8.761 573 HA ARG 74 HA ARG 74 9.364 4.788 -7.932 574 HB2 ARG 74 HB1 ARG 74 11.747 4.067 -8.031 575 HB3 ARG 74 HB2 ARG 74 12.190 5.389 -6.927 576 HG2 ARG 74 HG1 ARG 74 10.693 4.370 -5.200 577 HG3 ARG 74 HG2 ARG 74 10.408 2.995 -6.267 578 HD2 ARG 74 HD1 ARG 74 13.066 3.856 -5.054 579 HD3 ARG 74 HD2 ARG 74 12.078 2.443 -4.592 580 HE ARG 74 HE ARG 74 12.527 1.582 -6.931 581 HH11 ARG 74 HH12 ARG 74 14.954 3.448 -5.177 582 HH12 ARG 74 HH11 ARG 74 16.261 2.764 -6.125 583 HH21 ARG 74 HH22 ARG 74 14.036 0.737 -7.942 584 HH22 ARG 74 HH21 ARG 74 15.746 1.017 -7.620 585 H VAL 75 H VAL 75 8.206 4.914 -6.214 586 HA VAL 75 HA VAL 75 8.906 6.595 -3.960 587 HB VAL 75 HB VAL 75 6.604 7.510 -3.648 588 HG11 VAL 75 HG11 VAL 75 7.949 8.722 -6.086 589 HG12 VAL 75 HG12 VAL 75 6.918 9.526 -4.896 590 HG13 VAL 75 HG13 VAL 75 8.514 8.937 -4.408 591 HG21 VAL 75 HG21 VAL 75 5.215 6.321 -5.174 592 HG22 VAL 75 HG22 VAL 75 5.300 7.958 -5.826 593 HG23 VAL 75 HG23 VAL 75 6.291 6.659 -6.544 594 H GLU 76 H GLU 76 8.937 5.129 -2.500 595 HA GLU 76 HA GLU 76 7.337 2.699 -2.623 596 HB2 GLU 76 HB1 GLU 76 9.117 3.621 -0.350 597 HB3 GLU 76 HB2 GLU 76 8.580 1.962 -0.744 598 HG2 GLU 76 HG1 GLU 76 10.751 1.921 -1.478 599 HG3 GLU 76 HG2 GLU 76 9.902 2.327 -2.970 600 H LEU 77 H LEU 77 5.621 2.066 -1.333 601 HA LEU 77 HA LEU 77 4.114 4.069 0.159 602 HB2 LEU 77 HB1 LEU 77 3.793 1.102 -0.352 603 HB3 LEU 77 HB2 LEU 77 2.790 1.975 0.846 604 HG LEU 77 HG LEU 77 2.050 3.508 -1.009 605 HD11 LEU 77 HD11 LEU 77 2.166 2.627 -3.332 606 HD12 LEU 77 HD12 LEU 77 3.292 1.364 -2.796 607 HD13 LEU 77 HD13 LEU 77 3.760 3.081 -2.733 608 HD21 LEU 77 HD21 LEU 77 0.415 1.829 -1.872 609 HD22 LEU 77 HD22 LEU 77 0.627 1.739 -0.119 610 HD23 LEU 77 HD23 LEU 77 1.408 0.535 -1.168 611 H LYS 78 H LYS 78 5.763 4.777 1.504 612 HA LYS 78 HA LYS 78 6.746 3.010 3.640 613 HB2 LYS 78 HB1 LYS 78 8.111 4.992 4.244 614 HB3 LYS 78 HB2 LYS 78 8.331 4.422 2.573 615 HG2 LYS 78 HG1 LYS 78 6.583 6.339 2.023 616 HG3 LYS 78 HG2 LYS 78 7.079 6.976 3.608 617 HD2 LYS 78 HD1 LYS 78 8.465 8.065 1.988 618 HD3 LYS 78 HD2 LYS 78 9.491 6.851 2.772 619 HE2 LYS 78 HE1 LYS 78 8.957 5.292 0.846 620 HE3 LYS 78 HE2 LYS 78 8.070 6.611 0.064 621 HZ1 LYS 78 HZ1 LYS 78 10.150 7.814 -0.113 622 HZ2 LYS 78 HZ2 LYS 78 10.338 6.306 -0.753 623 HZ3 LYS 78 HZ3 LYS 78 10.973 6.619 0.698 624 HA PRO 79 HA PRO 79 3.358 3.615 6.157 625 HB2 PRO 79 HB1 PRO 79 4.360 3.552 8.760 626 HB3 PRO 79 HB2 PRO 79 4.117 2.138 7.692 627 HG2 PRO 79 HG1 PRO 79 6.656 3.714 8.151 628 HG3 PRO 79 HG2 PRO 79 6.446 1.926 8.105 629 HD2 PRO 79 HD1 PRO 79 7.372 3.253 5.941 630 HD3 PRO 79 HD2 PRO 79 6.168 1.944 5.739 631 H GLY 80 H GLY 80 5.948 5.884 7.283 632 HA2 GLY 80 HA3 GLY 80 3.947 7.987 7.833 633 HA3 GLY 80 HA2 GLY 80 5.716 8.141 7.912 634 H GLY 81 H GLY 81 2.971 7.740 5.711 635 HA2 GLY 81 HA3 GLY 81 3.655 9.459 3.606 636 HA3 GLY 81 HA2 GLY 81 4.488 7.919 3.294 637 H TYR 82 H TYR 82 3.241 6.024 3.035 638 HA TYR 82 HA TYR 82 0.369 6.177 2.324 639 HB2 TYR 82 HB1 TYR 82 2.494 5.638 0.240 640 HB3 TYR 82 HB2 TYR 82 0.737 5.534 0.027 641 HD1 TYR 82 HD1 TYR 82 -0.653 7.639 0.145 642 HD2 TYR 82 HD2 TYR 82 3.655 7.732 0.138 643 HE1 TYR 82 HE1 TYR 82 -0.708 10.098 -0.286 644 HE2 TYR 82 HE2 TYR 82 3.608 10.180 -0.263 645 HH TYR 82 HH TYR 82 0.525 12.001 -0.379 646 H HIS 83 H HIS 83 -0.587 4.132 2.235 647 HA HIS 83 HA HIS 83 0.957 1.671 2.350 648 HB2 HIS 83 HB1 HIS 83 0.439 1.083 4.656 649 HB3 HIS 83 HB2 HIS 83 1.483 2.501 4.598 650 HD1 HIS 83 HD1 HIS 83 0.327 4.855 5.463 651 HD2 HIS 83 HD2 HIS 83 -1.986 1.347 5.733 652 HE1 HIS 83 HE1 HIS 83 -1.670 5.415 6.933 653 H PHE 84 H PHE 84 -0.559 -0.212 3.012 654 HA PHE 84 HA PHE 84 -3.348 0.385 2.095 655 HB2 PHE 84 HB1 PHE 84 -1.649 -2.094 1.840 656 HB3 PHE 84 HB2 PHE 84 -3.411 -2.095 1.627 657 HD1 PHE 84 HD2 PHE 84 -4.399 -0.565 -0.247 658 HD2 PHE 84 HD1 PHE 84 -0.204 -1.503 0.045 659 HE1 PHE 84 HE2 PHE 84 -4.197 -0.434 -2.713 660 HE2 PHE 84 HE1 PHE 84 0.022 -1.163 -2.405 661 HZ PHE 84 HZ PHE 84 -1.981 -0.715 -3.796 662 H MET 85 H MET 85 -4.904 0.090 3.457 663 HA MET 85 HA MET 85 -4.581 -1.451 5.989 664 HB2 MET 85 HB1 MET 85 -6.481 0.633 4.965 665 HB3 MET 85 HB2 MET 85 -7.131 -0.598 6.077 666 HG2 MET 85 HG1 MET 85 -4.707 1.114 6.687 667 HG3 MET 85 HG2 MET 85 -6.380 1.489 7.184 668 HE1 MET 85 HE1 MET 85 -3.325 -0.949 7.595 669 HE2 MET 85 HE2 MET 85 -3.244 0.544 8.558 670 HE3 MET 85 HE3 MET 85 -3.397 -1.041 9.368 671 H LEU 86 H LEU 86 -5.480 -3.315 6.308 672 HA LEU 86 HA LEU 86 -6.878 -4.705 4.060 673 HB2 LEU 86 HB1 LEU 86 -5.232 -5.820 6.373 674 HB3 LEU 86 HB2 LEU 86 -5.896 -6.760 5.037 675 HG LEU 86 HG LEU 86 -3.704 -4.629 4.841 676 HD11 LEU 86 HD11 LEU 86 -2.827 -6.556 5.967 677 HD12 LEU 86 HD12 LEU 86 -2.232 -6.590 4.310 678 HD13 LEU 86 HD13 LEU 86 -3.557 -7.666 4.790 679 HD21 LEU 86 HD21 LEU 86 -4.655 -6.539 2.670 680 HD22 LEU 86 HD22 LEU 86 -3.356 -5.341 2.549 681 HD23 LEU 86 HD23 LEU 86 -5.024 -4.795 2.735 682 H LEU 87 H LEU 87 -9.072 -4.722 4.465 683 HA LEU 87 HA LEU 87 -9.964 -5.500 7.219 684 HB2 LEU 87 HB1 LEU 87 -11.378 -3.825 5.123 685 HB3 LEU 87 HB2 LEU 87 -12.141 -4.455 6.607 686 HG LEU 87 HG LEU 87 -11.741 -2.155 6.880 687 HD11 LEU 87 HD11 LEU 87 -9.624 -3.638 8.483 688 HD12 LEU 87 HD12 LEU 87 -11.361 -3.587 8.858 689 HD13 LEU 87 HD13 LEU 87 -10.394 -2.101 8.913 690 HD21 LEU 87 HD21 LEU 87 -9.697 -0.975 6.695 691 HD22 LEU 87 HD22 LEU 87 -9.887 -1.889 5.191 692 HD23 LEU 87 HD23 LEU 87 -8.755 -2.450 6.449 693 H GLY 88 H GLY 88 -11.039 -7.345 7.410 694 HA2 GLY 88 HA3 GLY 88 -12.420 -9.175 6.805 695 HA3 GLY 88 HA2 GLY 88 -12.612 -8.482 5.179 696 H LEU 89 H LEU 89 -9.698 -9.354 7.019 697 HA LEU 89 HA LEU 89 -8.423 -10.420 4.645 698 HB2 LEU 89 HB1 LEU 89 -6.456 -10.569 6.161 699 HB3 LEU 89 HB2 LEU 89 -7.196 -8.957 5.944 700 HG LEU 89 HG LEU 89 -8.397 -9.957 8.299 701 HD11 LEU 89 HD11 LEU 89 -6.503 -10.547 9.719 702 HD12 LEU 89 HD12 LEU 89 -5.424 -10.501 8.314 703 HD13 LEU 89 HD13 LEU 89 -6.706 -11.743 8.426 704 HD21 LEU 89 HD21 LEU 89 -6.956 -8.254 9.367 705 HD22 LEU 89 HD22 LEU 89 -7.740 -7.655 7.886 706 HD23 LEU 89 HD23 LEU 89 -6.018 -8.104 7.868 707 H LYS 90 H LYS 90 -8.350 -12.319 3.937 708 HA LYS 90 HA LYS 90 -9.880 -14.298 5.363 709 HB2 LYS 90 HB1 LYS 90 -8.684 -14.542 2.588 710 HB3 LYS 90 HB2 LYS 90 -10.118 -15.365 3.247 711 HG2 LYS 90 HG1 LYS 90 -11.252 -13.151 3.451 712 HG3 LYS 90 HG2 LYS 90 -9.845 -12.364 2.700 713 HD2 LYS 90 HD1 LYS 90 -10.293 -13.994 0.708 714 HD3 LYS 90 HD2 LYS 90 -11.904 -14.162 1.447 715 HE2 LYS 90 HE1 LYS 90 -11.856 -11.548 1.566 716 HE3 LYS 90 HE2 LYS 90 -10.513 -11.651 0.415 717 HZ1 LYS 90 HZ1 LYS 90 -13.341 -12.379 0.051 718 HZ2 LYS 90 HZ2 LYS 90 -12.178 -12.936 -1.027 719 HZ3 LYS 90 HZ3 LYS 90 -12.525 -11.332 -0.772 720 H ARG 91 H ARG 91 -6.588 -13.772 5.354 721 HA ARG 91 HA ARG 91 -6.481 -16.136 7.086 722 HB2 ARG 91 HB1 ARG 91 -4.181 -15.201 5.323 723 HB3 ARG 91 HB2 ARG 91 -3.985 -16.247 6.754 724 HG2 ARG 91 HG1 ARG 91 -5.507 -17.919 5.645 725 HG3 ARG 91 HG2 ARG 91 -5.467 -16.913 4.180 726 HD2 ARG 91 HD1 ARG 91 -2.991 -17.114 4.118 727 HD3 ARG 91 HD2 ARG 91 -3.049 -18.096 5.601 728 HE ARG 91 HE ARG 91 -4.697 -19.187 3.491 729 HH11 ARG 91 HH12 ARG 91 -1.348 -19.156 4.701 730 HH12 ARG 91 HH11 ARG 91 -0.926 -20.581 3.807 731 HH21 ARG 91 HH22 ARG 91 -4.096 -21.100 2.457 732 HH22 ARG 91 HH21 ARG 91 -2.442 -21.639 2.549 733 HA PRO 92 HA PRO 92 -4.861 -12.652 9.721 734 HB2 PRO 92 HB1 PRO 92 -4.184 -14.159 11.888 735 HB3 PRO 92 HB2 PRO 92 -5.854 -13.590 11.595 736 HG2 PRO 92 HG1 PRO 92 -4.661 -16.297 10.959 737 HG3 PRO 92 HG2 PRO 92 -6.244 -15.935 11.735 738 HD2 PRO 92 HD1 PRO 92 -5.986 -16.526 9.060 739 HD3 PRO 92 HD2 PRO 92 -7.219 -15.382 9.666 740 H LEU 93 H LEU 93 -2.677 -12.119 9.931 741 HA LEU 93 HA LEU 93 -1.092 -13.488 7.890 742 HB2 LEU 93 HB1 LEU 93 -0.861 -10.894 9.452 743 HB3 LEU 93 HB2 LEU 93 0.400 -11.431 8.321 744 HG LEU 93 HG LEU 93 -0.853 -9.767 7.277 745 HD11 LEU 93 HD11 LEU 93 -0.182 -11.696 5.857 746 HD12 LEU 93 HD12 LEU 93 -1.595 -10.832 5.250 747 HD13 LEU 93 HD13 LEU 93 -1.805 -12.391 6.066 748 HD21 LEU 93 HD21 LEU 93 -3.412 -11.323 7.648 749 HD22 LEU 93 HD22 LEU 93 -3.213 -9.737 6.886 750 HD23 LEU 93 HD23 LEU 93 -2.928 -9.923 8.629 751 H LYS 94 H LYS 94 0.213 -15.150 8.393 752 HA LYS 94 HA LYS 94 1.571 -15.177 11.051 753 HB2 LYS 94 HB1 LYS 94 0.973 -17.293 9.036 754 HB3 LYS 94 HB2 LYS 94 2.518 -17.419 9.935 755 HG2 LYS 94 HG1 LYS 94 0.840 -18.706 11.067 756 HG3 LYS 94 HG2 LYS 94 1.327 -17.305 12.054 757 HD2 LYS 94 HD1 LYS 94 -0.979 -17.373 12.306 758 HD3 LYS 94 HD2 LYS 94 -0.739 -16.126 11.100 759 HE2 LYS 94 HE1 LYS 94 -1.290 -19.060 10.393 760 HE3 LYS 94 HE2 LYS 94 -2.621 -17.933 10.755 761 HZ1 LYS 94 HZ1 LYS 94 -2.045 -16.664 8.836 762 HZ2 LYS 94 HZ2 LYS 94 -2.039 -18.226 8.315 763 HZ3 LYS 94 HZ3 LYS 94 -0.672 -17.407 8.560 764 H ALA 95 H ALA 95 3.543 -14.757 11.324 765 HA ALA 95 HA ALA 95 5.286 -13.577 9.316 766 HB1 ALA 95 HB1 ALA 95 5.966 -14.810 12.021 767 HB2 ALA 95 HB2 ALA 95 7.037 -13.786 11.046 768 HB3 ALA 95 HB3 ALA 95 5.544 -13.103 11.729 769 H GLY 96 H GLY 96 6.324 -14.582 7.684 770 HA2 GLY 96 HA3 GLY 96 7.635 -16.301 6.705 771 HA3 GLY 96 HA2 GLY 96 7.017 -17.453 7.910 772 H GLU 97 H GLU 97 4.304 -15.735 6.684 773 HA GLU 97 HA GLU 97 3.833 -17.703 4.504 774 HB2 GLU 97 HB1 GLU 97 2.122 -15.536 5.767 775 HB3 GLU 97 HB2 GLU 97 1.660 -16.406 4.279 776 HG2 GLU 97 HG1 GLU 97 1.741 -18.541 5.470 777 HG3 GLU 97 HG2 GLU 97 2.188 -17.706 6.972 778 H GLU 98 H GLU 98 3.152 -16.825 2.450 779 HA GLU 98 HA GLU 98 4.461 -14.289 1.597 780 HB2 GLU 98 HB1 GLU 98 3.315 -16.611 0.009 781 HB3 GLU 98 HB2 GLU 98 3.933 -15.097 -0.696 782 HG2 GLU 98 HG1 GLU 98 6.169 -15.572 0.219 783 HG3 GLU 98 HG2 GLU 98 5.570 -17.080 0.948 784 H VAL 99 H VAL 99 3.162 -12.797 0.409 785 HA VAL 99 HA VAL 99 0.196 -13.173 0.573 786 HB VAL 99 HB VAL 99 1.852 -10.672 1.026 787 HG11 VAL 99 HG11 VAL 99 0.185 -9.926 -0.608 788 HG12 VAL 99 HG12 VAL 99 -1.089 -10.828 0.243 789 HG13 VAL 99 HG13 VAL 99 -0.340 -9.406 0.988 790 HG21 VAL 99 HG21 VAL 99 1.331 -12.082 2.966 791 HG22 VAL 99 HG22 VAL 99 0.387 -10.593 3.064 792 HG23 VAL 99 HG23 VAL 99 -0.380 -12.096 2.536 793 H GLU 100 H GLU 100 -0.694 -13.378 -1.189 794 HA GLU 100 HA GLU 100 0.373 -12.738 -3.838 795 HB2 GLU 100 HB1 GLU 100 -1.680 -14.363 -2.665 796 HB3 GLU 100 HB2 GLU 100 -2.500 -13.224 -3.739 797 HG2 GLU 100 HG1 GLU 100 -0.127 -14.849 -4.680 798 HG3 GLU 100 HG2 GLU 100 -1.790 -15.499 -4.685 799 H LEU 101 H LEU 101 -0.123 -10.908 -5.003 800 HA LEU 101 HA LEU 101 -2.193 -9.096 -4.287 801 HB2 LEU 101 HB1 LEU 101 0.423 -8.594 -3.102 802 HB3 LEU 101 HB2 LEU 101 -0.170 -7.219 -4.075 803 HG LEU 101 HG LEU 101 -1.818 -8.465 -1.898 804 HD11 LEU 101 HD11 LEU 101 -0.008 -6.052 -1.769 805 HD12 LEU 101 HD12 LEU 101 0.172 -7.595 -0.885 806 HD13 LEU 101 HD13 LEU 101 -1.207 -6.550 -0.533 807 HD21 LEU 101 HD21 LEU 101 -1.903 -5.744 -3.275 808 HD22 LEU 101 HD22 LEU 101 -3.068 -6.330 -2.074 809 HD23 LEU 101 HD23 LEU 101 -3.002 -7.074 -3.682 810 H ASP 102 H ASP 102 -2.965 -8.454 -6.078 811 HA ASP 102 HA ASP 102 -1.288 -7.620 -8.410 812 HB2 ASP 102 HB1 ASP 102 -4.078 -8.641 -7.978 813 HB3 ASP 102 HB2 ASP 102 -3.815 -7.540 -9.327 814 H LEU 103 H LEU 103 -0.774 -5.526 -8.328 815 HA LEU 103 HA LEU 103 -2.358 -3.428 -7.070 816 HB2 LEU 103 HB1 LEU 103 -0.166 -3.305 -9.174 817 HB3 LEU 103 HB2 LEU 103 -0.783 -1.928 -8.248 818 HG LEU 103 HG LEU 103 0.835 -4.288 -7.230 819 HD11 LEU 103 HD11 LEU 103 1.398 -1.301 -7.422 820 HD12 LEU 103 HD12 LEU 103 2.095 -2.567 -8.458 821 HD13 LEU 103 HD13 LEU 103 2.500 -2.511 -6.734 822 HD21 LEU 103 HD21 LEU 103 0.853 -3.114 -5.039 823 HD22 LEU 103 HD22 LEU 103 -0.757 -3.700 -5.455 824 HD23 LEU 103 HD23 LEU 103 -0.365 -1.970 -5.638 825 H LEU 104 H LEU 104 -3.917 -2.145 -7.925 826 HA LEU 104 HA LEU 104 -4.823 -2.702 -10.714 827 HB2 LEU 104 HB1 LEU 104 -6.249 -1.123 -8.552 828 HB3 LEU 104 HB2 LEU 104 -6.913 -1.676 -10.100 829 HG LEU 104 HG LEU 104 -6.215 -3.311 -7.676 830 HD11 LEU 104 HD11 LEU 104 -8.863 -2.844 -9.094 831 HD12 LEU 104 HD12 LEU 104 -8.340 -2.081 -7.575 832 HD13 LEU 104 HD13 LEU 104 -8.613 -3.830 -7.635 833 HD21 LEU 104 HD21 LEU 104 -7.089 -4.281 -10.437 834 HD22 LEU 104 HD22 LEU 104 -7.149 -5.286 -8.976 835 HD23 LEU 104 HD23 LEU 104 -5.597 -4.704 -9.566 836 H PHE 105 H PHE 105 -4.676 -1.234 -12.296 837 HA PHE 105 HA PHE 105 -3.986 1.592 -11.556 838 HB2 PHE 105 HB1 PHE 105 -2.911 -0.215 -13.735 839 HB3 PHE 105 HB2 PHE 105 -2.680 1.530 -13.767 840 HD1 PHE 105 HD2 PHE 105 -1.678 -1.658 -12.210 841 HD2 PHE 105 HD1 PHE 105 -1.105 2.614 -12.246 842 HE1 PHE 105 HE2 PHE 105 0.437 -1.916 -10.939 843 HE2 PHE 105 HE1 PHE 105 1.012 2.346 -11.009 844 HZ PHE 105 HZ PHE 105 1.791 0.073 -10.351 845 H ALA 106 H ALA 106 -4.659 3.204 -12.914 846 HA ALA 106 HA ALA 106 -7.311 3.037 -13.802 847 HB1 ALA 106 HB1 ALA 106 -5.201 5.109 -14.532 848 HB2 ALA 106 HB2 ALA 106 -6.960 5.328 -14.634 849 HB3 ALA 106 HB3 ALA 106 -6.192 5.100 -13.051 850 H GLY 107 H GLY 107 -8.361 2.635 -15.649 851 HA2 GLY 107 HA3 GLY 107 -8.832 2.294 -17.865 852 HA3 GLY 107 HA2 GLY 107 -7.248 2.997 -18.264 853 H GLY 108 H GLY 108 -8.057 -0.004 -16.438 854 HA2 GLY 108 HA3 GLY 108 -8.072 -2.189 -17.134 855 HA3 GLY 108 HA2 GLY 108 -7.619 -1.649 -18.767 856 H LYS 109 H LYS 109 -5.440 -0.788 -16.122 857 HA LYS 109 HA LYS 109 -3.551 -2.951 -16.965 858 HB2 LYS 109 HB1 LYS 109 -3.237 -0.154 -15.906 859 HB3 LYS 109 HB2 LYS 109 -2.029 -1.399 -15.478 860 HG2 LYS 109 HG1 LYS 109 -1.133 -0.228 -17.285 861 HG3 LYS 109 HG2 LYS 109 -1.666 -1.789 -17.918 862 HD2 LYS 109 HD1 LYS 109 -2.222 -0.025 -19.506 863 HD3 LYS 109 HD2 LYS 109 -3.731 -0.641 -18.812 864 HE2 LYS 109 HE1 LYS 109 -3.635 1.266 -17.146 865 HE3 LYS 109 HE2 LYS 109 -2.219 1.898 -17.998 866 HZ1 LYS 109 HZ1 LYS 109 -4.359 2.908 -18.618 867 HZ2 LYS 109 HZ2 LYS 109 -4.899 1.483 -19.196 868 HZ3 LYS 109 HZ3 LYS 109 -3.623 2.218 -19.936 869 H VAL 110 H VAL 110 -2.904 -4.432 -15.430 870 HA VAL 110 HA VAL 110 -3.161 -3.891 -12.600 871 HB VAL 110 HB VAL 110 -5.291 -4.861 -13.039 872 HG11 VAL 110 HG11 VAL 110 -3.941 -7.203 -14.424 873 HG12 VAL 110 HG12 VAL 110 -5.669 -7.066 -14.043 874 HG13 VAL 110 HG13 VAL 110 -4.939 -5.945 -15.193 875 HG21 VAL 110 HG21 VAL 110 -5.307 -6.827 -11.605 876 HG22 VAL 110 HG22 VAL 110 -3.577 -7.103 -11.886 877 HG23 VAL 110 HG23 VAL 110 -4.117 -5.677 -10.983 878 H LEU 111 H LEU 111 -1.535 -4.978 -11.425 879 HA LEU 111 HA LEU 111 0.366 -6.697 -12.947 880 HB2 LEU 111 HB1 LEU 111 0.989 -3.993 -11.710 881 HB3 LEU 111 HB2 LEU 111 2.234 -5.152 -12.208 882 HG LEU 111 HG LEU 111 0.226 -3.821 -14.083 883 HD11 LEU 111 HD11 LEU 111 3.173 -3.218 -13.604 884 HD12 LEU 111 HD12 LEU 111 1.808 -2.195 -13.114 885 HD13 LEU 111 HD13 LEU 111 2.133 -2.463 -14.832 886 HD21 LEU 111 HD21 LEU 111 1.051 -6.008 -14.957 887 HD22 LEU 111 HD22 LEU 111 2.721 -5.491 -14.668 888 HD23 LEU 111 HD23 LEU 111 1.723 -4.659 -15.878 889 H LYS 112 H LYS 112 1.146 -8.272 -11.797 890 HA LYS 112 HA LYS 112 0.571 -8.639 -9.034 891 HB2 LYS 112 HB1 LYS 112 0.824 -10.345 -10.893 892 HB3 LYS 112 HB2 LYS 112 2.583 -10.094 -10.801 893 HG2 LYS 112 HG1 LYS 112 2.149 -12.053 -9.573 894 HG3 LYS 112 HG2 LYS 112 2.427 -10.803 -8.353 895 HD2 LYS 112 HD1 LYS 112 0.581 -12.167 -7.650 896 HD3 LYS 112 HD2 LYS 112 -0.084 -10.594 -8.096 897 HE2 LYS 112 HE1 LYS 112 -0.705 -11.558 -10.338 898 HE3 LYS 112 HE2 LYS 112 -0.097 -13.134 -9.786 899 HZ1 LYS 112 HZ1 LYS 112 -2.368 -13.192 -9.332 900 HZ2 LYS 112 HZ2 LYS 112 -2.443 -11.635 -8.833 901 HZ3 LYS 112 HZ3 LYS 112 -1.744 -12.808 -7.883 902 H VAL 113 H VAL 113 1.796 -8.238 -7.178 903 HA VAL 113 HA VAL 113 4.744 -7.831 -7.454 904 HB VAL 113 HB VAL 113 4.754 -6.036 -5.790 905 HG11 VAL 113 HG11 VAL 113 3.069 -5.269 -8.208 906 HG12 VAL 113 HG12 VAL 113 4.129 -4.213 -7.250 907 HG13 VAL 113 HG13 VAL 113 4.831 -5.516 -8.219 908 HG21 VAL 113 HG21 VAL 113 1.716 -6.024 -6.088 909 HG22 VAL 113 HG22 VAL 113 2.641 -6.388 -4.625 910 HG23 VAL 113 HG23 VAL 113 2.677 -4.755 -5.299 911 H VAL 114 H VAL 114 5.980 -8.302 -5.586 912 HA VAL 114 HA VAL 114 4.705 -10.506 -4.058 913 HB VAL 114 HB VAL 114 6.538 -11.088 -5.547 914 HG11 VAL 114 HG11 VAL 114 8.849 -10.517 -5.124 915 HG12 VAL 114 HG12 VAL 114 7.928 -9.026 -5.364 916 HG13 VAL 114 HG13 VAL 114 8.413 -9.522 -3.727 917 HG21 VAL 114 HG21 VAL 114 6.060 -12.437 -3.514 918 HG22 VAL 114 HG22 VAL 114 7.758 -12.522 -4.013 919 HG23 VAL 114 HG23 VAL 114 7.295 -11.519 -2.626 920 H LEU 115 H LEU 115 4.597 -10.624 -1.934 921 HA LEU 115 HA LEU 115 6.222 -8.850 -0.195 922 HB2 LEU 115 HB1 LEU 115 3.217 -9.208 0.030 923 HB3 LEU 115 HB2 LEU 115 4.281 -8.337 1.160 924 HG LEU 115 HG LEU 115 4.731 -6.740 -0.854 925 HD11 LEU 115 HD11 LEU 115 3.651 -7.783 -2.743 926 HD12 LEU 115 HD12 LEU 115 2.549 -6.519 -2.249 927 HD13 LEU 115 HD13 LEU 115 2.226 -8.203 -1.788 928 HD21 LEU 115 HD21 LEU 115 2.761 -5.407 -0.215 929 HD22 LEU 115 HD22 LEU 115 3.463 -6.173 1.203 930 HD23 LEU 115 HD23 LEU 115 1.989 -6.846 0.479 931 HA PRO 116 HA PRO 116 5.843 -12.762 2.218 932 HB2 PRO 116 HB1 PRO 116 8.040 -12.573 3.747 933 HB3 PRO 116 HB2 PRO 116 8.170 -12.969 2.005 934 HG2 PRO 116 HG1 PRO 116 8.542 -10.277 3.341 935 HG3 PRO 116 HG2 PRO 116 9.592 -11.052 2.106 936 HD2 PRO 116 HD1 PRO 116 7.617 -9.177 1.546 937 HD3 PRO 116 HD2 PRO 116 8.164 -10.401 0.378 938 H VAL 117 H VAL 117 5.230 -13.092 4.477 939 HA VAL 117 HA VAL 117 4.434 -10.661 5.912 940 HB VAL 117 HB VAL 117 4.004 -13.586 6.528 941 HG11 VAL 117 HG11 VAL 117 3.789 -12.132 8.520 942 HG12 VAL 117 HG12 VAL 117 2.731 -11.029 7.615 943 HG13 VAL 117 HG13 VAL 117 2.194 -12.678 8.009 944 HG21 VAL 117 HG21 VAL 117 2.825 -13.039 4.445 945 HG22 VAL 117 HG22 VAL 117 1.662 -13.217 5.757 946 HG23 VAL 117 HG23 VAL 117 2.121 -11.597 5.203 947 H GLU 118 H GLU 118 5.401 -9.970 7.793 948 HA GLU 118 HA GLU 118 7.454 -11.676 9.132 949 HB2 GLU 118 HB1 GLU 118 8.505 -10.182 7.418 950 HB3 GLU 118 HB2 GLU 118 7.854 -8.791 8.295 951 HG2 GLU 118 HG1 GLU 118 9.165 -9.652 10.327 952 HG3 GLU 118 HG2 GLU 118 9.928 -10.827 9.247 953 H ALA 119 H ALA 119 7.783 -11.171 11.332 954 HA ALA 119 HA ALA 119 5.778 -9.521 12.748 955 HB1 ALA 119 HB1 ALA 119 8.170 -11.147 13.730 956 HB2 ALA 119 HB2 ALA 119 6.969 -10.339 14.749 957 HB3 ALA 119 HB3 ALA 119 6.471 -11.693 13.717 958 H ARG 120 H ARG 120 6.648 -7.860 11.102 959 HA ARG 120 HA ARG 120 9.214 -6.725 11.744 960 HB2 ARG 120 HB1 ARG 120 8.449 -7.036 9.436 961 HB3 ARG 120 HB2 ARG 120 7.161 -5.854 9.684 962 HG2 ARG 120 HG1 ARG 120 9.022 -4.974 8.371 963 HG3 ARG 120 HG2 ARG 120 8.809 -4.056 9.859 964 HD2 ARG 120 HD1 ARG 120 10.940 -6.205 9.447 965 HD3 ARG 120 HD2 ARG 120 11.192 -4.457 9.190 966 HE ARG 120 HE ARG 120 10.262 -4.389 11.660 967 HH11 ARG 120 HH12 ARG 120 12.105 -7.240 10.705 968 HH12 ARG 120 HH11 ARG 120 12.598 -7.482 12.329 969 HH21 ARG 120 HH22 ARG 120 10.391 -5.141 13.449 970 HH22 ARG 120 HH21 ARG 120 11.491 -6.416 13.910 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 20.807 5.521 0.968 2 H2 GLY 1 2H GLY 1 20.031 6.791 0.242 3 H3 GLY 1 3H GLY 1 21.238 5.972 -0.541 4 HA2 GLY 1 HA3 GLY 1 18.627 4.847 0.216 5 HA3 GLY 1 HA2 GLY 1 19.117 5.311 -1.429 6 H SER 2 H SER 2 18.481 2.872 -1.636 7 HA SER 2 HA SER 2 20.701 1.265 -2.219 8 HB2 SER 2 HB1 SER 2 20.682 1.023 0.344 9 HB3 SER 2 HB2 SER 2 19.126 0.187 0.145 10 HG SER 2 HG SER 2 20.931 -1.267 0.118 11 H PHE 3 H PHE 3 19.339 -1.216 -2.282 12 HA PHE 3 HA PHE 3 17.064 -0.767 -4.078 13 HB2 PHE 3 HB1 PHE 3 18.305 -3.226 -2.809 14 HB3 PHE 3 HB2 PHE 3 16.816 -3.299 -3.774 15 HD1 PHE 3 HD2 PHE 3 16.827 -2.899 -6.182 16 HD2 PHE 3 HD1 PHE 3 20.480 -2.780 -3.886 17 HE1 PHE 3 HE2 PHE 3 18.151 -3.001 -8.277 18 HE2 PHE 3 HE1 PHE 3 21.797 -2.875 -5.987 19 HZ PHE 3 HZ PHE 3 20.635 -2.984 -8.185 20 H THR 4 H THR 4 14.900 -1.374 -3.668 21 HA THR 4 HA THR 4 13.975 -1.601 -0.869 22 HB THR 4 HB THR 4 12.212 0.129 -1.442 23 HG1 THR 4 HG1 THR 4 12.673 1.575 -3.047 24 HG21 THR 4 HG21 THR 4 15.057 1.182 -1.388 25 HG22 THR 4 HG22 THR 4 14.145 0.620 0.035 26 HG23 THR 4 HG23 THR 4 13.586 2.029 -0.887 27 H GLU 5 H GLU 5 11.982 -2.586 -0.632 28 HA GLU 5 HA GLU 5 10.541 -3.728 -2.869 29 HB2 GLU 5 HB1 GLU 5 12.586 -5.237 -2.298 30 HB3 GLU 5 HB2 GLU 5 11.644 -5.755 -0.913 31 HG2 GLU 5 HG1 GLU 5 10.108 -5.774 -3.452 32 HG3 GLU 5 HG2 GLU 5 11.566 -6.799 -3.513 33 H GLY 6 H GLY 6 9.078 -5.696 -1.059 34 HA2 GLY 6 HA3 GLY 6 7.732 -3.662 0.654 35 HA3 GLY 6 HA2 GLY 6 6.865 -4.786 -0.417 36 H TRP 7 H TRP 7 5.834 -4.805 1.829 37 HA TRP 7 HA TRP 7 6.136 -7.497 2.516 38 HB2 TRP 7 HB1 TRP 7 6.531 -7.504 4.841 39 HB3 TRP 7 HB2 TRP 7 7.900 -6.739 4.083 40 HD1 TRP 7 HD TRP 7 5.795 -6.543 6.951 41 HE1 TRP 7 HE1 TRP 7 5.897 -4.306 8.161 42 HE3 TRP 7 3HE TRP 7 8.044 -3.719 3.292 43 HZ2 TRP 7 HZ2 TRP 7 6.678 -1.589 7.578 44 HZ3 TRP 7 HZ3 TRP 7 8.381 -1.299 3.632 45 HH2 TRP 7 HH TRP 7 7.697 -0.214 5.758 46 H VAL 8 H VAL 8 4.294 -8.367 3.178 47 HA VAL 8 HA VAL 8 2.012 -6.511 3.745 48 HB VAL 8 HB VAL 8 1.961 -9.429 2.954 49 HG11 VAL 8 HG11 VAL 8 -0.307 -7.490 3.674 50 HG12 VAL 8 HG12 VAL 8 -0.547 -9.053 2.873 51 HG13 VAL 8 HG13 VAL 8 0.095 -9.002 4.518 52 HG21 VAL 8 HG21 VAL 8 1.114 -6.806 1.605 53 HG22 VAL 8 HG22 VAL 8 2.477 -7.838 1.123 54 HG23 VAL 8 HG23 VAL 8 0.829 -8.422 0.937 55 H ARG 9 H ARG 9 1.438 -6.133 5.632 56 HA ARG 9 HA ARG 9 2.685 -7.049 7.982 57 HB2 ARG 9 HB1 ARG 9 1.712 -4.878 7.852 58 HB3 ARG 9 HB2 ARG 9 0.112 -5.544 7.434 59 HG2 ARG 9 HG1 ARG 9 -0.100 -6.498 9.674 60 HG3 ARG 9 HG2 ARG 9 1.501 -5.915 10.125 61 HD2 ARG 9 HD1 ARG 9 -0.666 -4.034 9.120 62 HD3 ARG 9 HD2 ARG 9 -0.612 -4.532 10.822 63 HE ARG 9 HE ARG 9 1.227 -2.714 9.420 64 HH11 ARG 9 HH12 ARG 9 0.821 -4.794 12.304 65 HH12 ARG 9 HH11 ARG 9 2.297 -4.207 12.987 66 HH21 ARG 9 HH22 ARG 9 2.913 -1.778 10.625 67 HH22 ARG 9 HH21 ARG 9 3.298 -2.470 12.214 68 H PHE 10 H PHE 10 2.591 -9.062 8.681 69 HA PHE 10 HA PHE 10 0.051 -10.426 9.299 70 HB2 PHE 10 HB1 PHE 10 1.867 -11.906 9.239 71 HB3 PHE 10 HB2 PHE 10 2.953 -10.761 10.054 72 HD1 PHE 10 HD1 PHE 10 -0.448 -12.144 11.035 73 HD2 PHE 10 HD2 PHE 10 3.737 -11.761 11.991 74 HE1 PHE 10 HE1 PHE 10 -0.875 -13.085 13.276 75 HE2 PHE 10 HE2 PHE 10 3.323 -12.790 14.198 76 HZ PHE 10 HZ PHE 10 1.007 -13.411 14.873 77 H SER 11 H SER 11 -1.285 -9.846 10.983 78 HA SER 11 HA SER 11 -0.186 -8.910 13.480 79 HB2 SER 11 HB1 SER 11 -1.898 -7.190 11.659 80 HB3 SER 11 HB2 SER 11 -1.969 -7.013 13.419 81 HG SER 11 HG SER 11 0.569 -7.120 12.249 82 HA PRO 12 HA PRO 12 -3.733 -11.412 14.544 83 HB2 PRO 12 HB1 PRO 12 -3.621 -11.390 17.233 84 HB3 PRO 12 HB2 PRO 12 -2.250 -12.016 16.263 85 HG2 PRO 12 HG1 PRO 12 -2.554 -9.238 17.449 86 HG3 PRO 12 HG2 PRO 12 -1.151 -10.357 17.606 87 HD2 PRO 12 HD1 PRO 12 -1.277 -8.365 15.701 88 HD3 PRO 12 HD2 PRO 12 -0.453 -9.929 15.420 89 H GLY 13 H GLY 13 -5.007 -9.550 13.422 90 HA2 GLY 13 HA3 GLY 13 -7.102 -8.648 15.283 91 HA3 GLY 13 HA2 GLY 13 -6.214 -7.367 14.427 92 HA PRO 14 HA PRO 14 -9.759 -8.945 11.745 93 HB2 PRO 14 HB1 PRO 14 -11.505 -6.875 11.882 94 HB3 PRO 14 HB2 PRO 14 -11.412 -8.105 13.178 95 HG2 PRO 14 HG1 PRO 14 -10.066 -5.384 13.105 96 HG3 PRO 14 HG2 PRO 14 -11.071 -6.082 14.428 97 HD2 PRO 14 HD1 PRO 14 -8.330 -6.212 14.435 98 HD3 PRO 14 HD2 PRO 14 -9.336 -7.535 15.086 99 H ASN 15 H ASN 15 -7.609 -6.265 11.835 100 HA ASN 15 HA ASN 15 -7.856 -5.757 8.945 101 HB2 ASN 15 HB1 ASN 15 -8.050 -3.409 9.258 102 HB3 ASN 15 HB2 ASN 15 -9.308 -4.147 10.259 103 HD21 ASN 15 HD21 ASN 15 -7.403 -1.571 10.270 104 HD22 ASN 15 HD22 ASN 15 -6.983 -1.504 11.981 105 H ALA 16 H ALA 16 -6.051 -4.393 8.128 106 HA ALA 16 HA ALA 16 -3.613 -4.151 9.750 107 HB1 ALA 16 HB1 ALA 16 -3.466 -6.501 9.060 108 HB2 ALA 16 HB2 ALA 16 -3.760 -6.057 7.365 109 HB3 ALA 16 HB3 ALA 16 -2.259 -5.570 8.168 110 H ALA 17 H ALA 17 -2.008 -2.818 8.798 111 HA ALA 17 HA ALA 17 -2.676 -1.374 6.274 112 HB1 ALA 17 HB1 ALA 17 -0.571 -0.818 8.418 113 HB2 ALA 17 HB2 ALA 17 -0.885 0.168 6.977 114 HB3 ALA 17 HB3 ALA 17 -2.112 0.045 8.251 115 H ALA 18 H ALA 18 -1.785 -2.291 4.468 116 HA ALA 18 HA ALA 18 0.725 -3.912 4.694 117 HB1 ALA 18 HB1 ALA 18 0.002 -4.898 2.555 118 HB2 ALA 18 HB2 ALA 18 -1.216 -5.109 3.826 119 HB3 ALA 18 HB3 ALA 18 -1.449 -3.879 2.566 120 H TYR 19 H TYR 19 2.307 -3.763 3.021 121 HA TYR 19 HA TYR 19 2.639 -1.042 1.869 122 HB2 TYR 19 HB1 TYR 19 4.904 -2.389 3.294 123 HB3 TYR 19 HB2 TYR 19 4.639 -0.675 2.999 124 HD1 TYR 19 HD1 TYR 19 2.989 0.579 4.500 125 HD2 TYR 19 HD2 TYR 19 4.218 -3.470 5.271 126 HE1 TYR 19 HE1 TYR 19 2.183 0.778 6.849 127 HE2 TYR 19 HE2 TYR 19 3.451 -3.294 7.606 128 HH TYR 19 HH TYR 19 1.926 -0.260 8.840 129 H LEU 20 H LEU 20 4.249 -0.848 0.262 130 HA LEU 20 HA LEU 20 6.048 -2.886 -0.363 131 HB2 LEU 20 HB1 LEU 20 5.506 -3.685 -2.451 132 HB3 LEU 20 HB2 LEU 20 4.001 -3.836 -1.564 133 HG LEU 20 HG LEU 20 4.663 -1.622 -3.567 134 HD11 LEU 20 HD11 LEU 20 4.503 -3.839 -4.629 135 HD12 LEU 20 HD12 LEU 20 3.175 -2.769 -5.094 136 HD13 LEU 20 HD13 LEU 20 2.891 -4.064 -3.910 137 HD21 LEU 20 HD21 LEU 20 3.009 -0.843 -1.950 138 HD22 LEU 20 HD22 LEU 20 2.053 -2.328 -2.167 139 HD23 LEU 20 HD23 LEU 20 2.224 -1.160 -3.498 140 H THR 21 H THR 21 7.662 -2.323 -1.870 141 HA THR 21 HA THR 21 7.915 0.495 -2.694 142 HB THR 21 HB THR 21 9.482 -1.976 -3.481 143 HG1 THR 21 HG1 THR 21 9.758 -1.386 -1.338 144 HG21 THR 21 HG21 THR 21 10.044 0.991 -3.963 145 HG22 THR 21 HG22 THR 21 9.644 -0.203 -5.228 146 HG23 THR 21 HG23 THR 21 11.140 -0.368 -4.302 147 H LEU 22 H LEU 22 6.485 1.222 -4.103 148 HA LEU 22 HA LEU 22 5.497 -0.530 -6.299 149 HB2 LEU 22 HB1 LEU 22 4.114 1.113 -4.874 150 HB3 LEU 22 HB2 LEU 22 4.902 2.411 -5.766 151 HG LEU 22 HG LEU 22 2.768 2.105 -6.686 152 HD11 LEU 22 HD11 LEU 22 4.687 2.272 -8.332 153 HD12 LEU 22 HD12 LEU 22 3.143 1.666 -8.979 154 HD13 LEU 22 HD13 LEU 22 4.461 0.533 -8.631 155 HD21 LEU 22 HD21 LEU 22 2.237 -0.112 -5.759 156 HD22 LEU 22 HD22 LEU 22 3.310 -0.886 -6.946 157 HD23 LEU 22 HD23 LEU 22 1.849 -0.035 -7.484 158 H GLU 23 H GLU 23 6.483 -0.447 -8.297 159 HA GLU 23 HA GLU 23 8.047 1.959 -8.987 160 HB2 GLU 23 HB1 GLU 23 9.851 0.912 -9.921 161 HB3 GLU 23 HB2 GLU 23 9.645 0.108 -8.367 162 HG2 GLU 23 HG1 GLU 23 8.751 -1.877 -9.481 163 HG3 GLU 23 HG2 GLU 23 8.725 -1.047 -11.052 164 H ASN 24 H ASN 24 8.032 2.675 -10.995 165 HA ASN 24 HA ASN 24 6.375 1.220 -13.014 166 HB2 ASN 24 HB1 ASN 24 5.554 3.467 -12.357 167 HB3 ASN 24 HB2 ASN 24 7.101 4.170 -12.849 168 HD21 ASN 24 HD21 ASN 24 5.697 5.455 -14.274 169 HD22 ASN 24 HD22 ASN 24 5.282 4.769 -15.850 170 HA PRO 25 HA PRO 25 10.489 1.169 -15.023 171 HB2 PRO 25 HB1 PRO 25 10.272 -1.173 -16.380 172 HB3 PRO 25 HB2 PRO 25 10.498 -1.167 -14.603 173 HG2 PRO 25 HG1 PRO 25 7.886 -1.400 -16.138 174 HG3 PRO 25 HG2 PRO 25 8.483 -2.470 -14.823 175 HD2 PRO 25 HD1 PRO 25 6.756 -0.373 -14.385 176 HD3 PRO 25 HD2 PRO 25 7.983 -0.864 -13.185 177 H GLY 26 H GLY 26 7.286 1.572 -16.182 178 HA2 GLY 26 HA3 GLY 26 7.903 1.552 -19.033 179 HA3 GLY 26 HA2 GLY 26 6.369 1.990 -18.248 180 H ASP 27 H ASP 27 7.767 3.292 -20.388 181 HA ASP 27 HA ASP 27 8.898 5.780 -19.436 182 HB2 ASP 27 HB1 ASP 27 8.249 4.747 -22.218 183 HB3 ASP 27 HB2 ASP 27 9.258 6.161 -21.843 184 H LEU 28 H LEU 28 5.809 4.946 -19.402 185 HA LEU 28 HA LEU 28 4.889 7.739 -19.696 186 HB2 LEU 28 HB1 LEU 28 2.718 6.981 -20.424 187 HB3 LEU 28 HB2 LEU 28 4.010 6.424 -21.520 188 HG LEU 28 HG LEU 28 3.803 4.147 -20.325 189 HD11 LEU 28 HD11 LEU 28 1.254 5.498 -19.319 190 HD12 LEU 28 HD12 LEU 28 2.486 4.663 -18.352 191 HD13 LEU 28 HD13 LEU 28 1.449 3.733 -19.420 192 HD21 LEU 28 HD21 LEU 28 1.457 5.232 -21.945 193 HD22 LEU 28 HD22 LEU 28 1.888 3.516 -21.754 194 HD23 LEU 28 HD23 LEU 28 2.986 4.609 -22.606 195 HA PRO 29 HA PRO 29 4.049 7.380 -15.474 196 HB2 PRO 29 HB1 PRO 29 1.956 9.033 -14.926 197 HB3 PRO 29 HB2 PRO 29 3.515 9.626 -15.566 198 HG2 PRO 29 HG1 PRO 29 0.967 9.058 -17.083 199 HG3 PRO 29 HG2 PRO 29 2.061 10.477 -17.237 200 HD2 PRO 29 HD1 PRO 29 2.108 8.276 -18.923 201 HD3 PRO 29 HD2 PRO 29 3.549 9.259 -18.598 202 H LEU 30 H LEU 30 2.705 6.451 -13.740 203 HA LEU 30 HA LEU 30 0.408 4.756 -14.651 204 HB2 LEU 30 HB1 LEU 30 2.229 4.379 -12.277 205 HB3 LEU 30 HB2 LEU 30 0.824 3.376 -12.666 206 HG LEU 30 HG LEU 30 3.379 3.682 -14.128 207 HD11 LEU 30 HD11 LEU 30 1.971 1.236 -13.021 208 HD12 LEU 30 HD12 LEU 30 3.267 2.119 -12.176 209 HD13 LEU 30 HD13 LEU 30 3.619 1.258 -13.689 210 HD21 LEU 30 HD21 LEU 30 1.820 3.536 -15.949 211 HD22 LEU 30 HD22 LEU 30 1.008 2.139 -15.185 212 HD23 LEU 30 HD23 LEU 30 2.682 2.010 -15.795 213 H ARG 31 H ARG 31 -1.292 4.549 -13.317 214 HA ARG 31 HA ARG 31 -1.616 6.353 -10.978 215 HB2 ARG 31 HB1 ARG 31 -2.744 7.376 -13.002 216 HB3 ARG 31 HB2 ARG 31 -3.870 6.001 -12.959 217 HG2 ARG 31 HG1 ARG 31 -4.793 6.683 -10.905 218 HG3 ARG 31 HG2 ARG 31 -3.405 7.695 -10.476 219 HD2 ARG 31 HD1 ARG 31 -5.288 8.380 -12.742 220 HD3 ARG 31 HD2 ARG 31 -5.508 8.931 -11.057 221 HE ARG 31 HE ARG 31 -3.343 10.133 -11.245 222 HH11 ARG 31 HH12 ARG 31 -5.116 9.548 -14.243 223 HH12 ARG 31 HH11 ARG 31 -4.302 10.872 -15.042 224 HH21 ARG 31 HH22 ARG 31 -2.306 11.660 -12.301 225 HH22 ARG 31 HH21 ARG 31 -2.714 12.095 -13.931 226 H LEU 32 H LEU 32 -1.960 5.159 -9.301 227 HA LEU 32 HA LEU 32 -2.819 2.310 -9.492 228 HB2 LEU 32 HB1 LEU 32 -0.598 2.743 -8.608 229 HB3 LEU 32 HB2 LEU 32 -1.242 3.954 -7.474 230 HG LEU 32 HG LEU 32 -2.551 2.014 -6.388 231 HD11 LEU 32 HD11 LEU 32 -0.555 0.358 -8.003 232 HD12 LEU 32 HD12 LEU 32 -2.311 0.364 -8.246 233 HD13 LEU 32 HD13 LEU 32 -1.631 -0.247 -6.733 234 HD21 LEU 32 HD21 LEU 32 -0.541 1.287 -5.115 235 HD22 LEU 32 HD22 LEU 32 -0.580 3.039 -5.362 236 HD23 LEU 32 HD23 LEU 32 0.492 2.028 -6.350 237 H VAL 33 H VAL 33 -4.953 2.131 -9.147 238 HA VAL 33 HA VAL 33 -6.354 4.213 -7.540 239 HB VAL 33 HB VAL 33 -8.404 3.571 -8.650 240 HG11 VAL 33 HG11 VAL 33 -6.837 5.115 -9.862 241 HG12 VAL 33 HG12 VAL 33 -6.206 3.729 -10.764 242 HG13 VAL 33 HG13 VAL 33 -7.904 4.205 -10.939 243 HG21 VAL 33 HG21 VAL 33 -8.048 1.107 -8.867 244 HG22 VAL 33 HG22 VAL 33 -8.544 1.856 -10.388 245 HG23 VAL 33 HG23 VAL 33 -6.850 1.412 -10.145 246 H GLY 34 H GLY 34 -5.275 0.992 -7.197 247 HA2 GLY 34 HA3 GLY 34 -6.002 0.871 -4.492 248 HA3 GLY 34 HA2 GLY 34 -7.204 -0.075 -5.399 249 H ALA 35 H ALA 35 -6.282 -1.873 -4.092 250 HA ALA 35 HA ALA 35 -4.745 -3.419 -5.886 251 HB1 ALA 35 HB1 ALA 35 -2.884 -2.319 -4.588 252 HB2 ALA 35 HB2 ALA 35 -3.479 -3.161 -3.135 253 HB3 ALA 35 HB3 ALA 35 -2.904 -4.073 -4.560 254 H ARG 36 H ARG 36 -4.326 -5.784 -4.439 255 HA ARG 36 HA ARG 36 -6.651 -6.439 -2.842 256 HB2 ARG 36 HB1 ARG 36 -6.797 -6.576 -5.748 257 HB3 ARG 36 HB2 ARG 36 -6.981 -8.209 -5.096 258 HG2 ARG 36 HG1 ARG 36 -8.573 -5.843 -4.120 259 HG3 ARG 36 HG2 ARG 36 -9.017 -6.983 -5.423 260 HD2 ARG 36 HD1 ARG 36 -9.012 -8.838 -3.802 261 HD3 ARG 36 HD2 ARG 36 -8.337 -7.796 -2.530 262 HE ARG 36 HE ARG 36 -10.449 -7.407 -1.857 263 HH11 ARG 36 HH12 ARG 36 -10.790 -7.880 -5.327 264 HH12 ARG 36 HH11 ARG 36 -12.501 -8.197 -5.185 265 HH21 ARG 36 HH22 ARG 36 -12.614 -7.853 -1.728 266 HH22 ARG 36 HH21 ARG 36 -13.498 -8.212 -3.139 267 H THR 37 H THR 37 -6.800 -9.105 -3.036 268 HA THR 37 HA THR 37 -4.450 -10.580 -3.510 269 HB THR 37 HB THR 37 -3.373 -9.533 -1.659 270 HG1 THR 37 HG1 THR 37 -2.935 -11.500 -1.489 271 HG21 THR 37 HG21 THR 37 -5.044 -8.406 -0.406 272 HG22 THR 37 HG22 THR 37 -4.372 -9.630 0.672 273 HG23 THR 37 HG23 THR 37 -5.946 -9.900 -0.116 274 HA PRO 38 HA PRO 38 -7.613 -13.773 -2.531 275 HB2 PRO 38 HB1 PRO 38 -5.977 -15.885 -1.870 276 HB3 PRO 38 HB2 PRO 38 -6.325 -15.344 -3.544 277 HG2 PRO 38 HG1 PRO 38 -3.916 -14.638 -1.867 278 HG3 PRO 38 HG2 PRO 38 -3.949 -15.285 -3.549 279 HD2 PRO 38 HD1 PRO 38 -3.746 -12.622 -3.091 280 HD3 PRO 38 HD2 PRO 38 -4.792 -13.236 -4.401 281 H VAL 39 H VAL 39 -5.028 -12.729 -0.386 282 HA VAL 39 HA VAL 39 -6.230 -14.177 1.894 283 HB VAL 39 HB VAL 39 -4.345 -13.940 3.136 284 HG11 VAL 39 HG11 VAL 39 -3.229 -14.026 0.307 285 HG12 VAL 39 HG12 VAL 39 -2.532 -14.750 1.765 286 HG13 VAL 39 HG13 VAL 39 -4.060 -15.377 1.116 287 HG21 VAL 39 HG21 VAL 39 -2.425 -12.464 2.736 288 HG22 VAL 39 HG22 VAL 39 -3.270 -11.683 1.399 289 HG23 VAL 39 HG23 VAL 39 -3.883 -11.526 3.052 290 H ALA 40 H ALA 40 -7.149 -11.293 0.734 291 HA ALA 40 HA ALA 40 -8.298 -10.604 3.353 292 HB1 ALA 40 HB1 ALA 40 -6.313 -9.128 3.255 293 HB2 ALA 40 HB2 ALA 40 -6.884 -8.475 1.697 294 HB3 ALA 40 HB3 ALA 40 -7.838 -8.212 3.165 295 H GLU 41 H GLU 41 -10.044 -8.937 3.125 296 HA GLU 41 HA GLU 41 -11.544 -9.533 0.644 297 HB2 GLU 41 HB1 GLU 41 -12.449 -10.375 2.777 298 HB3 GLU 41 HB2 GLU 41 -12.610 -8.727 3.385 299 HG2 GLU 41 HG1 GLU 41 -14.699 -9.876 2.386 300 HG3 GLU 41 HG2 GLU 41 -14.341 -8.219 1.862 301 H ARG 42 H ARG 42 -12.025 -6.760 2.879 302 HA ARG 42 HA ARG 42 -12.400 -5.073 0.467 303 HB2 ARG 42 HB1 ARG 42 -13.949 -5.089 2.613 304 HB3 ARG 42 HB2 ARG 42 -12.704 -4.009 3.264 305 HG2 ARG 42 HG1 ARG 42 -12.998 -2.598 1.151 306 HG3 ARG 42 HG2 ARG 42 -14.419 -3.612 0.791 307 HD2 ARG 42 HD1 ARG 42 -15.180 -2.954 3.208 308 HD3 ARG 42 HD2 ARG 42 -13.989 -1.662 3.075 309 HE ARG 42 HE ARG 42 -16.221 -2.080 1.107 310 HH11 ARG 42 HH12 ARG 42 -14.299 0.311 2.935 311 HH12 ARG 42 HH11 ARG 42 -15.464 1.555 2.695 312 HH21 ARG 42 HH22 ARG 42 -17.536 -0.350 0.637 313 HH22 ARG 42 HH21 ARG 42 -17.197 1.225 1.312 314 H VAL 43 H VAL 43 -11.028 -3.356 0.022 315 HA VAL 43 HA VAL 43 -8.610 -2.940 1.611 316 HB VAL 43 HB VAL 43 -7.864 -4.822 0.466 317 HG11 VAL 43 HG11 VAL 43 -8.079 -5.213 -1.914 318 HG12 VAL 43 HG12 VAL 43 -9.668 -5.040 -1.202 319 HG13 VAL 43 HG13 VAL 43 -8.970 -3.684 -2.121 320 HG21 VAL 43 HG21 VAL 43 -6.297 -2.829 0.338 321 HG22 VAL 43 HG22 VAL 43 -6.044 -4.064 -0.911 322 HG23 VAL 43 HG23 VAL 43 -6.874 -2.550 -1.311 323 H GLU 44 H GLU 44 -7.880 -0.977 1.468 324 HA GLU 44 HA GLU 44 -8.932 0.967 -0.563 325 HB2 GLU 44 HB1 GLU 44 -9.136 1.068 2.470 326 HB3 GLU 44 HB2 GLU 44 -9.516 2.426 1.388 327 HG2 GLU 44 HG1 GLU 44 -11.371 1.225 0.421 328 HG3 GLU 44 HG2 GLU 44 -10.951 -0.267 1.284 329 H LEU 45 H LEU 45 -7.221 2.285 -1.303 330 HA LEU 45 HA LEU 45 -4.755 2.336 0.215 331 HB2 LEU 45 HB1 LEU 45 -4.970 2.231 -2.300 332 HB3 LEU 45 HB2 LEU 45 -5.511 3.909 -2.289 333 HG LEU 45 HG LEU 45 -2.939 3.145 -0.858 334 HD11 LEU 45 HD11 LEU 45 -3.085 3.752 -3.831 335 HD12 LEU 45 HD12 LEU 45 -2.892 2.141 -3.158 336 HD13 LEU 45 HD13 LEU 45 -1.642 3.349 -2.834 337 HD21 LEU 45 HD21 LEU 45 -2.206 5.368 -1.584 338 HD22 LEU 45 HD22 LEU 45 -3.753 5.522 -0.749 339 HD23 LEU 45 HD23 LEU 45 -3.703 5.576 -2.530 340 H HIS 46 H HIS 46 -4.275 3.605 1.762 341 HA HIS 46 HA HIS 46 -5.594 6.252 2.047 342 HB2 HIS 46 HB1 HIS 46 -4.499 4.301 4.071 343 HB3 HIS 46 HB2 HIS 46 -4.750 6.013 4.475 344 HD2 HIS 46 HD2 HIS 46 -7.473 3.994 2.505 345 HE1 HIS 46 HE1 HIS 46 -8.987 4.870 6.353 346 HE2 HIS 46 HE2 HIS 46 -9.495 3.749 4.116 347 H GLU 47 H GLU 47 -4.433 7.956 2.816 348 HA GLU 47 HA GLU 47 -1.519 8.052 2.125 349 HB2 GLU 47 HB1 GLU 47 -1.830 10.377 1.532 350 HB3 GLU 47 HB2 GLU 47 -2.927 9.367 0.573 351 HG2 GLU 47 HG1 GLU 47 -4.816 10.032 1.878 352 HG3 GLU 47 HG2 GLU 47 -3.806 10.792 3.123 353 H THR 48 H THR 48 -0.582 10.188 3.197 354 HA THR 48 HA THR 48 -1.616 10.775 5.891 355 HB THR 48 HB THR 48 1.277 9.972 5.408 356 HG1 THR 48 HG1 THR 48 -0.958 8.613 5.888 357 HG21 THR 48 HG21 THR 48 -0.269 10.683 7.948 358 HG22 THR 48 HG22 THR 48 1.069 11.608 7.231 359 HG23 THR 48 HG23 THR 48 1.373 10.001 7.912 360 H PHE 49 H PHE 49 -1.570 12.876 6.194 361 HA PHE 49 HA PHE 49 0.228 14.610 4.553 362 HB2 PHE 49 HB1 PHE 49 -1.645 16.225 4.490 363 HB3 PHE 49 HB2 PHE 49 -2.007 14.712 3.646 364 HD1 PHE 49 HD1 PHE 49 -2.705 16.707 6.727 365 HD2 PHE 49 HD2 PHE 49 -3.802 13.253 4.399 366 HE1 PHE 49 HE1 PHE 49 -4.721 16.410 8.118 367 HE2 PHE 49 HE2 PHE 49 -5.824 12.962 5.789 368 HZ PHE 49 HZ PHE 49 -6.300 14.526 7.624 369 H MET 50 H MET 50 0.850 16.573 5.504 370 HA MET 50 HA MET 50 0.940 16.614 8.459 371 HB2 MET 50 HB1 MET 50 2.470 18.526 8.157 372 HB3 MET 50 HB2 MET 50 3.055 17.029 7.416 373 HG2 MET 50 HG1 MET 50 1.618 19.148 5.804 374 HG3 MET 50 HG2 MET 50 3.364 19.242 6.148 375 HE1 MET 50 HE1 MET 50 2.362 19.421 3.227 376 HE2 MET 50 HE2 MET 50 4.087 19.389 3.684 377 HE3 MET 50 HE3 MET 50 3.479 18.310 2.412 378 H ARG 51 H ARG 51 0.167 18.299 9.724 379 HA ARG 51 HA ARG 51 -1.388 20.472 8.553 380 HB2 ARG 51 HB1 ARG 51 -2.725 18.099 8.860 381 HB3 ARG 51 HB2 ARG 51 -2.972 18.791 10.476 382 HG2 ARG 51 HG1 ARG 51 -4.838 19.492 9.181 383 HG3 ARG 51 HG2 ARG 51 -3.791 20.918 9.273 384 HD2 ARG 51 HD1 ARG 51 -2.831 20.258 7.025 385 HD3 ARG 51 HD2 ARG 51 -4.013 18.935 6.963 386 HE ARG 51 HE ARG 51 -5.193 21.559 7.442 387 HH11 ARG 51 HH12 ARG 51 -4.055 19.404 4.897 388 HH12 ARG 51 HH11 ARG 51 -5.062 20.115 3.672 389 HH21 ARG 51 HH22 ARG 51 -6.445 22.502 5.829 390 HH22 ARG 51 HH21 ARG 51 -6.413 21.881 4.205 391 H GLU 52 H GLU 52 -1.769 22.143 9.931 392 HA GLU 52 HA GLU 52 -0.929 21.845 12.762 393 HB2 GLU 52 HB1 GLU 52 -0.952 24.177 10.896 394 HB3 GLU 52 HB2 GLU 52 -1.384 24.461 12.614 395 HG2 GLU 52 HG1 GLU 52 0.949 24.816 12.428 396 HG3 GLU 52 HG2 GLU 52 0.707 23.304 13.305 397 H VAL 53 H VAL 53 -2.333 22.149 14.333 398 HA VAL 53 HA VAL 53 -5.030 23.175 13.951 399 HB VAL 53 HB VAL 53 -5.194 20.888 13.079 400 HG11 VAL 53 HG11 VAL 53 -4.676 20.011 15.920 401 HG12 VAL 53 HG12 VAL 53 -5.076 18.974 14.530 402 HG13 VAL 53 HG13 VAL 53 -3.532 19.857 14.567 403 HG21 VAL 53 HG21 VAL 53 -7.244 20.315 14.301 404 HG22 VAL 53 HG22 VAL 53 -6.782 21.392 15.635 405 HG23 VAL 53 HG23 VAL 53 -7.157 22.065 14.033 406 H GLU 54 H GLU 54 -5.782 24.046 15.816 407 HA GLU 54 HA GLU 54 -5.601 25.056 17.846 408 HB2 GLU 54 HB1 GLU 54 -6.093 22.660 18.463 409 HB3 GLU 54 HB2 GLU 54 -4.400 22.446 18.842 410 HG2 GLU 54 HG1 GLU 54 -5.597 24.809 20.162 411 HG3 GLU 54 HG2 GLU 54 -6.462 23.297 20.548 412 H GLY 55 H GLY 55 -3.305 25.172 15.914 413 HA2 GLY 55 HA3 GLY 55 -1.312 26.357 15.821 414 HA3 GLY 55 HA2 GLY 55 -1.298 26.472 17.595 415 H LYS 56 H LYS 56 -1.749 23.248 17.146 416 HA LYS 56 HA LYS 56 1.092 22.621 17.509 417 HB2 LYS 56 HB1 LYS 56 -1.322 20.810 17.744 418 HB3 LYS 56 HB2 LYS 56 0.257 20.627 18.506 419 HG2 LYS 56 HG1 LYS 56 -1.906 22.634 19.200 420 HG3 LYS 56 HG2 LYS 56 -1.426 21.220 20.159 421 HD2 LYS 56 HD1 LYS 56 0.592 22.247 20.857 422 HD3 LYS 56 HD2 LYS 56 0.519 23.487 19.575 423 HE2 LYS 56 HE1 LYS 56 -0.051 24.471 21.729 424 HE3 LYS 56 HE2 LYS 56 -1.436 24.504 20.595 425 HZ1 LYS 56 HZ1 LYS 56 -2.358 23.835 22.548 426 HZ2 LYS 56 HZ2 LYS 56 -1.153 22.741 22.956 427 HZ3 LYS 56 HZ3 LYS 56 -2.273 22.522 21.741 428 H LYS 57 H LYS 57 2.194 21.095 16.255 429 HA LYS 57 HA LYS 57 1.208 20.703 13.493 430 HB2 LYS 57 HB1 LYS 57 3.845 19.844 14.728 431 HB3 LYS 57 HB2 LYS 57 3.406 19.907 13.002 432 HG2 LYS 57 HG1 LYS 57 3.073 22.432 13.355 433 HG3 LYS 57 HG2 LYS 57 3.871 22.219 14.934 434 HD2 LYS 57 HD1 LYS 57 5.422 23.053 13.243 435 HD3 LYS 57 HD2 LYS 57 5.903 21.454 13.849 436 HE2 LYS 57 HE1 LYS 57 6.294 21.621 11.448 437 HE3 LYS 57 HE2 LYS 57 5.035 20.415 11.786 438 HZ1 LYS 57 HZ1 LYS 57 4.406 23.196 10.915 439 HZ2 LYS 57 HZ2 LYS 57 3.375 22.004 11.082 440 HZ3 LYS 57 HZ3 LYS 57 4.474 21.910 9.900 441 H VAL 58 H VAL 58 0.410 18.830 12.705 442 HA VAL 58 HA VAL 58 0.528 16.278 14.257 443 HB VAL 58 HB VAL 58 -1.939 17.743 13.262 444 HG11 VAL 58 HG11 VAL 58 -1.736 14.950 14.453 445 HG12 VAL 58 HG12 VAL 58 -3.254 15.863 14.301 446 HG13 VAL 58 HG13 VAL 58 -2.374 15.409 12.851 447 HG21 VAL 58 HG21 VAL 58 -1.060 16.987 16.081 448 HG22 VAL 58 HG22 VAL 58 -1.221 18.631 15.418 449 HG23 VAL 58 HG23 VAL 58 -2.655 17.643 15.666 450 H MET 59 H MET 59 0.149 14.392 12.978 451 HA MET 59 HA MET 59 0.054 14.734 10.004 452 HB2 MET 59 HB1 MET 59 0.964 12.314 11.591 453 HB3 MET 59 HB2 MET 59 0.937 12.475 9.821 454 HG2 MET 59 HG1 MET 59 2.649 14.055 11.764 455 HG3 MET 59 HG2 MET 59 3.202 12.753 10.702 456 HE1 MET 59 HE1 MET 59 4.332 15.713 11.174 457 HE2 MET 59 HE2 MET 59 5.161 14.492 10.183 458 HE3 MET 59 HE3 MET 59 4.879 16.120 9.525 459 H GLY 60 H GLY 60 -1.694 13.899 8.948 460 HA2 GLY 60 HA3 GLY 60 -3.680 12.290 10.500 461 HA3 GLY 60 HA2 GLY 60 -4.170 13.633 9.443 462 H MET 61 H MET 61 -4.909 10.795 9.321 463 HA MET 61 HA MET 61 -3.868 10.013 6.622 464 HB2 MET 61 HB1 MET 61 -4.937 8.331 8.917 465 HB3 MET 61 HB2 MET 61 -4.606 7.711 7.272 466 HG2 MET 61 HG1 MET 61 -2.750 7.104 8.524 467 HG3 MET 61 HG2 MET 61 -2.236 8.482 7.551 468 HE1 MET 61 HE1 MET 61 -0.087 8.354 8.960 469 HE2 MET 61 HE2 MET 61 0.005 8.647 10.714 470 HE3 MET 61 HE3 MET 61 -0.701 7.138 10.092 471 H ARG 62 H ARG 62 -5.417 8.884 5.245 472 HA ARG 62 HA ARG 62 -8.200 8.724 5.714 473 HB2 ARG 62 HB1 ARG 62 -9.075 10.354 4.111 474 HB3 ARG 62 HB2 ARG 62 -8.253 11.187 5.433 475 HG2 ARG 62 HG1 ARG 62 -6.348 11.669 4.044 476 HG3 ARG 62 HG2 ARG 62 -6.945 10.611 2.743 477 HD2 ARG 62 HD1 ARG 62 -8.878 12.118 2.398 478 HD3 ARG 62 HD2 ARG 62 -8.204 13.218 3.624 479 HE ARG 62 HE ARG 62 -6.082 13.079 2.115 480 HH11 ARG 62 HH12 ARG 62 -9.288 13.244 0.672 481 HH12 ARG 62 HH11 ARG 62 -8.622 13.671 -0.887 482 HH21 ARG 62 HH22 ARG 62 -5.306 13.272 0.205 483 HH22 ARG 62 HH21 ARG 62 -6.298 13.558 -1.178 484 HA PRO 63 HA PRO 63 -7.511 6.380 1.867 485 HB2 PRO 63 HB1 PRO 63 -10.125 6.395 0.838 486 HB3 PRO 63 HB2 PRO 63 -9.336 5.102 1.757 487 HG2 PRO 63 HG1 PRO 63 -11.429 6.859 2.625 488 HG3 PRO 63 HG2 PRO 63 -10.635 5.554 3.572 489 HD2 PRO 63 HD1 PRO 63 -10.289 8.481 3.707 490 HD3 PRO 63 HD2 PRO 63 -9.742 7.242 4.852 491 H VAL 64 H VAL 64 -7.459 6.707 -0.389 492 HA VAL 64 HA VAL 64 -8.470 9.306 -1.460 493 HB VAL 64 HB VAL 64 -6.453 9.208 -3.059 494 HG11 VAL 64 HG11 VAL 64 -6.824 10.957 -1.387 495 HG12 VAL 64 HG12 VAL 64 -5.975 9.980 -0.166 496 HG13 VAL 64 HG13 VAL 64 -5.105 10.581 -1.599 497 HG21 VAL 64 HG21 VAL 64 -5.584 6.975 -2.393 498 HG22 VAL 64 HG22 VAL 64 -4.370 8.257 -2.239 499 HG23 VAL 64 HG23 VAL 64 -5.164 7.628 -0.790 500 HA PRO 65 HA PRO 65 -10.062 6.652 -4.670 501 HB2 PRO 65 HB1 PRO 65 -10.222 8.283 -6.843 502 HB3 PRO 65 HB2 PRO 65 -11.255 8.513 -5.400 503 HG2 PRO 65 HG1 PRO 65 -8.641 9.918 -6.047 504 HG3 PRO 65 HG2 PRO 65 -10.210 10.670 -5.582 505 HD2 PRO 65 HD1 PRO 65 -8.255 10.201 -3.744 506 HD3 PRO 65 HD2 PRO 65 -9.978 9.951 -3.337 507 H PHE 66 H PHE 66 -6.827 7.911 -4.810 508 HA PHE 66 HA PHE 66 -5.744 5.732 -6.124 509 HB2 PHE 66 HB1 PHE 66 -4.948 6.699 -8.226 510 HB3 PHE 66 HB2 PHE 66 -6.693 6.476 -8.202 511 HD1 PHE 66 HD1 PHE 66 -3.970 9.017 -8.048 512 HD2 PHE 66 HD2 PHE 66 -8.195 8.305 -8.539 513 HE1 PHE 66 HE1 PHE 66 -4.266 11.345 -8.800 514 HE2 PHE 66 HE2 PHE 66 -8.492 10.645 -9.310 515 HZ PHE 66 HZ PHE 66 -6.527 12.175 -9.439 516 H LEU 67 H LEU 67 -3.531 5.888 -6.432 517 HA LEU 67 HA LEU 67 -2.079 8.375 -5.697 518 HB2 LEU 67 HB1 LEU 67 -1.559 5.497 -5.108 519 HB3 LEU 67 HB2 LEU 67 -0.167 6.334 -5.826 520 HG LEU 67 HG LEU 67 -1.600 7.089 -3.257 521 HD11 LEU 67 HD11 LEU 67 1.198 5.994 -3.918 522 HD12 LEU 67 HD12 LEU 67 -0.126 5.049 -3.203 523 HD13 LEU 67 HD13 LEU 67 0.608 6.375 -2.292 524 HD21 LEU 67 HD21 LEU 67 -0.772 9.176 -4.201 525 HD22 LEU 67 HD22 LEU 67 0.743 8.406 -4.730 526 HD23 LEU 67 HD23 LEU 67 0.418 8.660 -3.011 527 H GLU 68 H GLU 68 0.083 8.360 -7.084 528 HA GLU 68 HA GLU 68 -0.086 6.968 -9.612 529 HB2 GLU 68 HB1 GLU 68 -0.241 8.788 -11.087 530 HB3 GLU 68 HB2 GLU 68 -1.607 8.912 -9.971 531 HG2 GLU 68 HG1 GLU 68 -0.268 10.666 -8.696 532 HG3 GLU 68 HG2 GLU 68 0.952 10.561 -9.993 533 H VAL 69 H VAL 69 1.761 7.447 -11.004 534 HA VAL 69 HA VAL 69 4.151 8.152 -9.432 535 HB VAL 69 HB VAL 69 3.768 5.405 -10.755 536 HG11 VAL 69 HG11 VAL 69 5.817 4.720 -9.561 537 HG12 VAL 69 HG12 VAL 69 6.154 6.084 -10.623 538 HG13 VAL 69 HG13 VAL 69 5.984 6.347 -8.874 539 HG21 VAL 69 HG21 VAL 69 3.631 6.040 -7.785 540 HG22 VAL 69 HG22 VAL 69 2.329 5.386 -8.810 541 HG23 VAL 69 HG23 VAL 69 3.754 4.412 -8.476 542 HA PRO 70 HA PRO 70 5.268 9.434 -13.565 543 HB2 PRO 70 HB1 PRO 70 7.881 10.151 -13.249 544 HB3 PRO 70 HB2 PRO 70 6.526 11.083 -12.545 545 HG2 PRO 70 HG1 PRO 70 8.224 8.959 -11.188 546 HG3 PRO 70 HG2 PRO 70 7.843 10.613 -10.586 547 HD2 PRO 70 HD1 PRO 70 6.415 8.432 -9.784 548 HD3 PRO 70 HD2 PRO 70 5.611 10.000 -10.082 549 HA PRO 71 HA PRO 71 7.333 6.065 -15.655 550 HB2 PRO 71 HB1 PRO 71 8.878 7.366 -17.547 551 HB3 PRO 71 HB2 PRO 71 7.137 6.953 -17.656 552 HG2 PRO 71 HG1 PRO 71 8.386 9.587 -16.993 553 HG3 PRO 71 HG2 PRO 71 6.860 9.228 -17.903 554 HD2 PRO 71 HD1 PRO 71 6.912 10.055 -15.279 555 HD3 PRO 71 HD2 PRO 71 5.633 9.025 -15.972 556 H LYS 72 H LYS 72 9.031 4.797 -15.461 557 HA LYS 72 HA LYS 72 11.003 3.917 -14.846 558 HB2 LYS 72 HB1 LYS 72 12.359 6.587 -14.937 559 HB3 LYS 72 HB2 LYS 72 13.000 4.996 -15.363 560 HG2 LYS 72 HG1 LYS 72 11.047 6.710 -16.919 561 HG3 LYS 72 HG2 LYS 72 12.725 6.346 -17.313 562 HD2 LYS 72 HD1 LYS 72 10.553 4.227 -17.194 563 HD3 LYS 72 HD2 LYS 72 10.882 5.209 -18.650 564 HE2 LYS 72 HE1 LYS 72 13.232 4.332 -18.618 565 HE3 LYS 72 HE2 LYS 72 12.768 3.252 -17.291 566 HZ1 LYS 72 HZ1 LYS 72 12.554 2.155 -19.466 567 HZ2 LYS 72 HZ2 LYS 72 11.538 3.322 -20.000 568 HZ3 LYS 72 HZ3 LYS 72 11.057 2.329 -18.805 569 H GLY 73 H GLY 73 9.390 5.778 -12.837 570 HA2 GLY 73 HA3 GLY 73 11.368 6.066 -10.669 571 HA3 GLY 73 HA2 GLY 73 9.834 6.951 -10.831 572 H ARG 74 H ARG 74 11.084 5.296 -8.824 573 HA ARG 74 HA ARG 74 8.751 3.591 -8.106 574 HB2 ARG 74 HB1 ARG 74 10.013 2.246 -6.658 575 HB3 ARG 74 HB2 ARG 74 10.921 2.351 -8.173 576 HG2 ARG 74 HG1 ARG 74 12.439 4.022 -7.098 577 HG3 ARG 74 HG2 ARG 74 11.511 3.875 -5.583 578 HD2 ARG 74 HD1 ARG 74 13.512 2.501 -5.435 579 HD3 ARG 74 HD2 ARG 74 12.075 1.475 -5.459 580 HE ARG 74 HE ARG 74 13.845 2.022 -7.819 581 HH11 ARG 74 HH12 ARG 74 11.931 -0.491 -6.117 582 HH12 ARG 74 HH11 ARG 74 11.770 -1.380 -7.637 583 HH21 ARG 74 HH22 ARG 74 13.556 0.670 -9.628 584 HH22 ARG 74 HH21 ARG 74 12.664 -0.810 -9.406 585 H VAL 75 H VAL 75 8.005 3.588 -5.980 586 HA VAL 75 HA VAL 75 8.789 5.715 -4.129 587 HB VAL 75 HB VAL 75 6.455 6.481 -3.732 588 HG11 VAL 75 HG11 VAL 75 6.386 8.160 -5.447 589 HG12 VAL 75 HG12 VAL 75 8.080 7.854 -5.032 590 HG13 VAL 75 HG13 VAL 75 7.391 7.190 -6.535 591 HG21 VAL 75 HG21 VAL 75 4.777 6.324 -5.561 592 HG22 VAL 75 HG22 VAL 75 5.805 5.145 -6.399 593 HG23 VAL 75 HG23 VAL 75 5.098 4.767 -4.812 594 H GLU 76 H GLU 76 8.953 4.793 -2.223 595 HA GLU 76 HA GLU 76 7.784 2.210 -1.654 596 HB2 GLU 76 HB1 GLU 76 9.306 4.151 0.096 597 HB3 GLU 76 HB2 GLU 76 8.863 2.458 0.496 598 HG2 GLU 76 HG1 GLU 76 11.188 2.579 -0.080 599 HG3 GLU 76 HG2 GLU 76 10.289 1.643 -1.278 600 H LEU 77 H LEU 77 5.870 1.727 -0.703 601 HA LEU 77 HA LEU 77 4.314 3.783 0.701 602 HB2 LEU 77 HB1 LEU 77 3.866 0.890 0.025 603 HB3 LEU 77 HB2 LEU 77 2.929 1.652 1.339 604 HG LEU 77 HG LEU 77 2.182 3.396 -0.298 605 HD11 LEU 77 HD11 LEU 77 3.872 3.229 -2.058 606 HD12 LEU 77 HD12 LEU 77 2.285 2.856 -2.728 607 HD13 LEU 77 HD13 LEU 77 3.423 1.539 -2.372 608 HD21 LEU 77 HD21 LEU 77 0.485 1.959 -1.357 609 HD22 LEU 77 HD22 LEU 77 0.741 1.525 0.338 610 HD23 LEU 77 HD23 LEU 77 1.442 0.519 -0.944 611 H LYS 78 H LYS 78 3.928 3.918 2.821 612 HA LYS 78 HA LYS 78 5.802 2.837 4.780 613 HB2 LYS 78 HB1 LYS 78 7.092 4.985 4.872 614 HB3 LYS 78 HB2 LYS 78 7.310 4.044 3.371 615 HG2 LYS 78 HG1 LYS 78 5.492 5.627 2.389 616 HG3 LYS 78 HG2 LYS 78 5.827 6.666 3.774 617 HD2 LYS 78 HD1 LYS 78 8.105 5.669 2.073 618 HD3 LYS 78 HD2 LYS 78 7.088 6.974 1.439 619 HE2 LYS 78 HE1 LYS 78 8.447 7.127 4.155 620 HE3 LYS 78 HE2 LYS 78 9.249 7.617 2.635 621 HZ1 LYS 78 HZ1 LYS 78 8.212 9.510 3.671 622 HZ2 LYS 78 HZ2 LYS 78 6.761 8.767 3.768 623 HZ3 LYS 78 HZ3 LYS 78 7.388 9.157 2.292 624 HA PRO 79 HA PRO 79 2.609 4.306 7.366 625 HB2 PRO 79 HB1 PRO 79 3.831 4.761 9.795 626 HB3 PRO 79 HB2 PRO 79 3.522 3.139 9.106 627 HG2 PRO 79 HG1 PRO 79 6.077 4.761 8.980 628 HG3 PRO 79 HG2 PRO 79 5.883 3.024 9.410 629 HD2 PRO 79 HD1 PRO 79 6.623 3.788 6.908 630 HD3 PRO 79 HD2 PRO 79 5.485 2.428 7.150 631 H GLY 80 H GLY 80 5.492 6.488 7.597 632 HA2 GLY 80 HA3 GLY 80 3.711 8.854 7.728 633 HA3 GLY 80 HA2 GLY 80 5.489 8.857 7.702 634 H GLY 81 H GLY 81 2.617 8.079 5.678 635 HA2 GLY 81 HA3 GLY 81 3.368 9.413 3.342 636 HA3 GLY 81 HA2 GLY 81 4.112 7.801 3.236 637 H TYR 82 H TYR 82 2.785 5.967 3.019 638 HA TYR 82 HA TYR 82 -0.046 6.295 2.286 639 HB2 TYR 82 HB1 TYR 82 2.039 5.546 0.215 640 HB3 TYR 82 HB2 TYR 82 0.286 5.571 -0.022 641 HD1 TYR 82 HD1 TYR 82 -0.933 7.785 -0.048 642 HD2 TYR 82 HD2 TYR 82 3.367 7.507 0.058 643 HE1 TYR 82 HE1 TYR 82 -0.770 10.184 -0.674 644 HE2 TYR 82 HE2 TYR 82 3.544 9.912 -0.525 645 HH TYR 82 HH TYR 82 0.626 11.945 -1.026 646 H HIS 83 H HIS 83 -1.154 4.312 2.186 647 HA HIS 83 HA HIS 83 0.215 1.754 2.571 648 HB2 HIS 83 HB1 HIS 83 -0.501 1.514 4.937 649 HB3 HIS 83 HB2 HIS 83 0.787 2.704 4.702 650 HD1 HIS 83 HD1 HIS 83 -0.044 5.382 4.984 651 HD2 HIS 83 HD2 HIS 83 -2.740 2.335 6.065 652 HE1 HIS 83 HE1 HIS 83 -1.848 6.476 6.381 653 H PHE 84 H PHE 84 -1.177 -0.039 2.618 654 HA PHE 84 HA PHE 84 -3.913 0.578 1.599 655 HB2 PHE 84 HB1 PHE 84 -2.165 -1.895 1.633 656 HB3 PHE 84 HB2 PHE 84 -3.878 -1.925 1.167 657 HD1 PHE 84 HD1 PHE 84 -4.570 -0.163 -0.696 658 HD2 PHE 84 HD2 PHE 84 -0.559 -1.635 -0.063 659 HE1 PHE 84 HE1 PHE 84 -4.051 0.170 -3.096 660 HE2 PHE 84 HE2 PHE 84 -0.024 -1.170 -2.446 661 HZ PHE 84 HZ PHE 84 -1.778 -0.271 -3.959 662 H MET 85 H MET 85 -5.535 0.569 2.983 663 HA MET 85 HA MET 85 -5.391 -0.902 5.549 664 HB2 MET 85 HB1 MET 85 -7.489 0.866 4.258 665 HB3 MET 85 HB2 MET 85 -7.764 0.010 5.785 666 HG2 MET 85 HG1 MET 85 -5.373 1.809 5.493 667 HG3 MET 85 HG2 MET 85 -7.003 2.493 5.768 668 HE1 MET 85 HE1 MET 85 -5.296 -0.778 7.663 669 HE2 MET 85 HE2 MET 85 -4.128 0.417 7.038 670 HE3 MET 85 HE3 MET 85 -4.410 0.264 8.793 671 H LEU 86 H LEU 86 -5.721 -2.941 5.564 672 HA LEU 86 HA LEU 86 -7.614 -4.278 3.672 673 HB2 LEU 86 HB1 LEU 86 -5.643 -5.512 5.630 674 HB3 LEU 86 HB2 LEU 86 -6.543 -6.344 4.354 675 HG LEU 86 HG LEU 86 -4.221 -4.392 4.030 676 HD11 LEU 86 HD11 LEU 86 -3.085 -6.364 3.046 677 HD12 LEU 86 HD12 LEU 86 -4.509 -7.360 3.395 678 HD13 LEU 86 HD13 LEU 86 -3.572 -6.652 4.728 679 HD21 LEU 86 HD21 LEU 86 -5.782 -3.999 2.197 680 HD22 LEU 86 HD22 LEU 86 -5.883 -5.744 1.858 681 HD23 LEU 86 HD23 LEU 86 -4.361 -4.859 1.597 682 H LEU 87 H LEU 87 -9.583 -4.772 4.440 683 HA LEU 87 HA LEU 87 -10.063 -5.013 7.401 684 HB2 LEU 87 HB1 LEU 87 -11.816 -3.895 5.188 685 HB3 LEU 87 HB2 LEU 87 -12.421 -4.309 6.801 686 HG LEU 87 HG LEU 87 -12.236 -1.941 6.508 687 HD11 LEU 87 HD11 LEU 87 -10.979 -1.359 8.512 688 HD12 LEU 87 HD12 LEU 87 -10.097 -2.893 8.432 689 HD13 LEU 87 HD13 LEU 87 -11.843 -2.890 8.758 690 HD21 LEU 87 HD21 LEU 87 -10.263 -0.691 6.117 691 HD22 LEU 87 HD22 LEU 87 -10.313 -1.935 4.856 692 HD23 LEU 87 HD23 LEU 87 -9.220 -2.109 6.254 693 H GLY 88 H GLY 88 -10.566 -7.079 7.907 694 HA2 GLY 88 HA3 GLY 88 -11.606 -9.201 7.678 695 HA3 GLY 88 HA2 GLY 88 -12.061 -8.804 6.006 696 H LEU 89 H LEU 89 -9.470 -9.928 8.126 697 HA LEU 89 HA LEU 89 -7.681 -10.598 5.855 698 HB2 LEU 89 HB1 LEU 89 -7.322 -11.101 8.824 699 HB3 LEU 89 HB2 LEU 89 -6.089 -11.261 7.558 700 HG LEU 89 HG LEU 89 -7.357 -8.692 8.606 701 HD11 LEU 89 HD11 LEU 89 -5.623 -9.768 10.039 702 HD12 LEU 89 HD12 LEU 89 -5.115 -8.194 9.416 703 HD13 LEU 89 HD13 LEU 89 -4.475 -9.684 8.687 704 HD21 LEU 89 HD21 LEU 89 -5.315 -9.013 6.356 705 HD22 LEU 89 HD22 LEU 89 -5.781 -7.479 7.124 706 HD23 LEU 89 HD23 LEU 89 -6.974 -8.387 6.194 707 H LYS 90 H LYS 90 -7.768 -12.562 4.890 708 HA LYS 90 HA LYS 90 -9.916 -14.333 5.739 709 HB2 LYS 90 HB1 LYS 90 -8.034 -14.357 3.349 710 HB3 LYS 90 HB2 LYS 90 -9.357 -15.532 3.586 711 HG2 LYS 90 HG1 LYS 90 -11.000 -13.728 3.671 712 HG3 LYS 90 HG2 LYS 90 -9.715 -12.506 3.496 713 HD2 LYS 90 HD1 LYS 90 -9.265 -13.138 1.250 714 HD3 LYS 90 HD2 LYS 90 -10.285 -14.585 1.356 715 HE2 LYS 90 HE1 LYS 90 -12.283 -13.299 1.499 716 HE3 LYS 90 HE2 LYS 90 -11.393 -11.811 1.906 717 HZ1 LYS 90 HZ1 LYS 90 -12.221 -11.796 -0.305 718 HZ2 LYS 90 HZ2 LYS 90 -11.349 -13.124 -0.737 719 HZ3 LYS 90 HZ3 LYS 90 -10.585 -11.700 -0.300 720 H ARG 91 H ARG 91 -6.623 -14.368 6.498 721 HA ARG 91 HA ARG 91 -7.083 -16.659 8.227 722 HB2 ARG 91 HB1 ARG 91 -4.613 -16.387 6.435 723 HB3 ARG 91 HB2 ARG 91 -4.738 -17.472 7.858 724 HG2 ARG 91 HG1 ARG 91 -5.290 -19.017 6.365 725 HG3 ARG 91 HG2 ARG 91 -6.891 -18.278 6.523 726 HD2 ARG 91 HD1 ARG 91 -6.514 -16.983 4.467 727 HD3 ARG 91 HD2 ARG 91 -4.838 -17.592 4.380 728 HE ARG 91 HE ARG 91 -5.595 -19.486 3.392 729 HH11 ARG 91 HH12 ARG 91 -8.417 -18.157 5.084 730 HH12 ARG 91 HH11 ARG 91 -9.500 -19.322 4.393 731 HH21 ARG 91 HH22 ARG 91 -7.054 -20.987 2.565 732 HH22 ARG 91 HH21 ARG 91 -8.736 -20.906 2.999 733 HA PRO 92 HA PRO 92 -4.120 -13.877 10.529 734 HB2 PRO 92 HB1 PRO 92 -2.951 -15.681 12.199 735 HB3 PRO 92 HB2 PRO 92 -4.544 -14.944 12.554 736 HG2 PRO 92 HG1 PRO 92 -3.956 -17.657 11.346 737 HG3 PRO 92 HG2 PRO 92 -5.148 -17.245 12.629 738 HD2 PRO 92 HD1 PRO 92 -5.803 -17.551 9.948 739 HD3 PRO 92 HD2 PRO 92 -6.688 -16.456 11.052 740 H LEU 93 H LEU 93 -2.213 -13.480 9.555 741 HA LEU 93 HA LEU 93 -1.072 -15.405 7.621 742 HB2 LEU 93 HB1 LEU 93 -0.268 -12.575 8.417 743 HB3 LEU 93 HB2 LEU 93 0.522 -13.564 7.159 744 HG LEU 93 HG LEU 93 -1.957 -13.645 6.160 745 HD11 LEU 93 HD11 LEU 93 -3.108 -11.461 6.441 746 HD12 LEU 93 HD12 LEU 93 -1.934 -10.992 7.688 747 HD13 LEU 93 HD13 LEU 93 -3.059 -12.337 7.969 748 HD21 LEU 93 HD21 LEU 93 -0.027 -11.298 5.927 749 HD22 LEU 93 HD22 LEU 93 -1.357 -11.636 4.792 750 HD23 LEU 93 HD23 LEU 93 -0.039 -12.802 4.973 751 H LYS 94 H LYS 94 1.121 -16.141 7.716 752 HA LYS 94 HA LYS 94 2.464 -15.804 10.350 753 HB2 LYS 94 HB1 LYS 94 2.781 -18.080 10.778 754 HB3 LYS 94 HB2 LYS 94 1.051 -17.843 10.423 755 HG2 LYS 94 HG1 LYS 94 1.396 -19.754 9.237 756 HG3 LYS 94 HG2 LYS 94 1.825 -18.592 7.984 757 HD2 LYS 94 HD1 LYS 94 4.260 -18.850 9.036 758 HD3 LYS 94 HD2 LYS 94 3.599 -20.343 9.733 759 HE2 LYS 94 HE1 LYS 94 4.823 -20.795 7.654 760 HE3 LYS 94 HE2 LYS 94 3.108 -21.183 7.449 761 HZ1 LYS 94 HZ1 LYS 94 2.816 -19.385 6.068 762 HZ2 LYS 94 HZ2 LYS 94 4.375 -19.731 5.678 763 HZ3 LYS 94 HZ3 LYS 94 4.002 -18.497 6.712 764 H ALA 95 H ALA 95 4.478 -15.258 10.223 765 HA ALA 95 HA ALA 95 5.829 -14.609 7.908 766 HB1 ALA 95 HB1 ALA 95 7.024 -15.440 10.588 767 HB2 ALA 95 HB2 ALA 95 7.853 -14.496 9.333 768 HB3 ALA 95 HB3 ALA 95 6.438 -13.812 10.154 769 H GLY 96 H GLY 96 7.128 -15.533 6.427 770 HA2 GLY 96 HA3 GLY 96 8.361 -17.291 5.387 771 HA3 GLY 96 HA2 GLY 96 7.756 -18.429 6.612 772 H GLU 97 H GLU 97 5.672 -16.130 4.680 773 HA GLU 97 HA GLU 97 5.375 -17.984 2.535 774 HB2 GLU 97 HB1 GLU 97 2.953 -17.813 2.522 775 HB3 GLU 97 HB2 GLU 97 3.579 -18.670 3.934 776 HG2 GLU 97 HG1 GLU 97 3.303 -16.206 5.006 777 HG3 GLU 97 HG2 GLU 97 2.117 -16.046 3.700 778 H GLU 98 H GLU 98 4.302 -16.851 0.783 779 HA GLU 98 HA GLU 98 4.893 -13.940 0.718 780 HB2 GLU 98 HB1 GLU 98 4.723 -14.214 -1.715 781 HB3 GLU 98 HB2 GLU 98 6.018 -15.177 -1.006 782 HG2 GLU 98 HG1 GLU 98 3.314 -16.429 -1.559 783 HG3 GLU 98 HG2 GLU 98 4.482 -16.165 -2.884 784 H VAL 99 H VAL 99 3.412 -12.522 -0.286 785 HA VAL 99 HA VAL 99 0.541 -13.411 -0.376 786 HB VAL 99 HB VAL 99 1.744 -10.730 0.408 787 HG11 VAL 99 HG11 VAL 99 -0.720 -10.039 0.656 788 HG12 VAL 99 HG12 VAL 99 -0.102 -10.109 -1.001 789 HG13 VAL 99 HG13 VAL 99 -1.118 -11.433 -0.350 790 HG21 VAL 99 HG21 VAL 99 1.645 -12.440 2.176 791 HG22 VAL 99 HG22 VAL 99 0.450 -11.180 2.502 792 HG23 VAL 99 HG23 VAL 99 -0.065 -12.740 1.838 793 H GLU 100 H GLU 100 -0.087 -13.647 -2.346 794 HA GLU 100 HA GLU 100 0.763 -12.062 -4.651 795 HB2 GLU 100 HB1 GLU 100 -1.840 -13.477 -4.000 796 HB3 GLU 100 HB2 GLU 100 -1.456 -12.694 -5.550 797 HG2 GLU 100 HG1 GLU 100 0.420 -14.364 -5.815 798 HG3 GLU 100 HG2 GLU 100 -0.187 -15.197 -4.370 799 H LEU 101 H LEU 101 0.371 -9.908 -4.790 800 HA LEU 101 HA LEU 101 -2.010 -8.738 -3.464 801 HB2 LEU 101 HB1 LEU 101 0.579 -8.236 -2.798 802 HB3 LEU 101 HB2 LEU 101 0.286 -7.027 -4.077 803 HG LEU 101 HG LEU 101 0.229 -6.109 -1.854 804 HD11 LEU 101 HD11 LEU 101 -0.866 -4.999 -3.698 805 HD12 LEU 101 HD12 LEU 101 -1.765 -4.746 -2.190 806 HD13 LEU 101 HD13 LEU 101 -2.357 -5.909 -3.393 807 HD21 LEU 101 HD21 LEU 101 -1.660 -6.395 -0.376 808 HD22 LEU 101 HD22 LEU 101 -0.820 -7.938 -0.603 809 HD23 LEU 101 HD23 LEU 101 -2.352 -7.626 -1.434 810 H ASP 102 H ASP 102 -3.336 -7.642 -4.885 811 HA ASP 102 HA ASP 102 -2.667 -7.838 -7.785 812 HB2 ASP 102 HB1 ASP 102 -5.107 -8.066 -6.041 813 HB3 ASP 102 HB2 ASP 102 -5.292 -7.885 -7.757 814 H LEU 103 H LEU 103 -1.675 -5.862 -7.929 815 HA LEU 103 HA LEU 103 -2.637 -3.338 -6.889 816 HB2 LEU 103 HB1 LEU 103 -0.659 -3.956 -9.108 817 HB3 LEU 103 HB2 LEU 103 -0.856 -2.372 -8.342 818 HG LEU 103 HG LEU 103 0.115 -4.892 -6.932 819 HD11 LEU 103 HD11 LEU 103 1.653 -2.498 -8.039 820 HD12 LEU 103 HD12 LEU 103 1.671 -4.142 -8.700 821 HD13 LEU 103 HD13 LEU 103 2.352 -3.831 -7.098 822 HD21 LEU 103 HD21 LEU 103 0.840 -3.341 -5.156 823 HD22 LEU 103 HD22 LEU 103 -0.901 -3.240 -5.391 824 HD23 LEU 103 HD23 LEU 103 0.147 -1.966 -6.046 825 H LEU 104 H LEU 104 -4.273 -2.092 -7.647 826 HA LEU 104 HA LEU 104 -5.404 -2.666 -10.326 827 HB2 LEU 104 HB1 LEU 104 -6.487 -0.835 -8.171 828 HB3 LEU 104 HB2 LEU 104 -7.347 -1.472 -9.579 829 HG LEU 104 HG LEU 104 -6.449 -2.998 -7.133 830 HD11 LEU 104 HD11 LEU 104 -8.838 -3.243 -6.666 831 HD12 LEU 104 HD12 LEU 104 -9.238 -2.319 -8.134 832 HD13 LEU 104 HD13 LEU 104 -8.398 -1.530 -6.781 833 HD21 LEU 104 HD21 LEU 104 -7.958 -4.024 -9.583 834 HD22 LEU 104 HD22 LEU 104 -7.691 -4.940 -8.078 835 HD23 LEU 104 HD23 LEU 104 -6.317 -4.485 -9.087 836 H PHE 105 H PHE 105 -4.973 -1.434 -12.025 837 HA PHE 105 HA PHE 105 -4.017 1.397 -11.611 838 HB2 PHE 105 HB1 PHE 105 -3.111 -0.765 -13.520 839 HB3 PHE 105 HB2 PHE 105 -2.694 0.933 -13.738 840 HD1 PHE 105 HD2 PHE 105 -1.306 2.086 -11.903 841 HD2 PHE 105 HD1 PHE 105 -1.870 -2.184 -12.096 842 HE1 PHE 105 HE2 PHE 105 0.739 1.749 -10.532 843 HE2 PHE 105 HE1 PHE 105 0.180 -2.510 -10.744 844 HZ PHE 105 HZ PHE 105 1.494 -0.547 -9.966 845 H ALA 106 H ALA 106 -4.789 2.940 -12.850 846 HA ALA 106 HA ALA 106 -7.410 2.886 -13.601 847 HB1 ALA 106 HB1 ALA 106 -7.010 5.102 -14.609 848 HB2 ALA 106 HB2 ALA 106 -6.129 4.911 -13.081 849 HB3 ALA 106 HB3 ALA 106 -5.262 4.778 -14.634 850 H GLY 107 H GLY 107 -8.648 2.304 -15.228 851 HA2 GLY 107 HA3 GLY 107 -9.401 1.810 -17.349 852 HA3 GLY 107 HA2 GLY 107 -7.847 2.370 -18.008 853 H GLY 108 H GLY 108 -8.987 -0.362 -15.945 854 HA2 GLY 108 HA3 GLY 108 -9.192 -2.565 -16.448 855 HA3 GLY 108 HA2 GLY 108 -8.617 -2.201 -18.091 856 H LYS 109 H LYS 109 -6.204 -1.329 -15.729 857 HA LYS 109 HA LYS 109 -4.737 -3.860 -16.322 858 HB2 LYS 109 HB1 LYS 109 -3.975 -1.055 -15.532 859 HB3 LYS 109 HB2 LYS 109 -2.915 -2.437 -15.133 860 HG2 LYS 109 HG1 LYS 109 -2.018 -1.574 -17.081 861 HG3 LYS 109 HG2 LYS 109 -2.922 -2.999 -17.606 862 HD2 LYS 109 HD1 LYS 109 -3.256 -1.185 -19.188 863 HD3 LYS 109 HD2 LYS 109 -4.783 -1.474 -18.340 864 HE2 LYS 109 HE1 LYS 109 -4.164 0.420 -16.773 865 HE3 LYS 109 HE2 LYS 109 -2.738 0.738 -17.766 866 HZ1 LYS 109 HZ1 LYS 109 -4.798 2.084 -18.201 867 HZ2 LYS 109 HZ2 LYS 109 -5.508 0.751 -18.807 868 HZ3 LYS 109 HZ3 LYS 109 -4.173 1.356 -19.566 869 H VAL 110 H VAL 110 -4.443 -5.357 -14.692 870 HA VAL 110 HA VAL 110 -4.078 -4.313 -12.024 871 HB VAL 110 HB VAL 110 -6.255 -5.097 -11.797 872 HG11 VAL 110 HG11 VAL 110 -5.503 -7.699 -13.154 873 HG12 VAL 110 HG12 VAL 110 -7.058 -7.350 -12.369 874 HG13 VAL 110 HG13 VAL 110 -6.566 -6.415 -13.784 875 HG21 VAL 110 HG21 VAL 110 -4.540 -7.412 -10.765 876 HG22 VAL 110 HG22 VAL 110 -4.659 -5.834 -9.973 877 HG23 VAL 110 HG23 VAL 110 -6.090 -6.863 -10.111 878 H LEU 111 H LEU 111 -2.318 -5.141 -11.043 879 HA LEU 111 HA LEU 111 -0.797 -7.289 -12.490 880 HB2 LEU 111 HB1 LEU 111 0.247 -4.911 -10.930 881 HB3 LEU 111 HB2 LEU 111 1.243 -6.199 -11.632 882 HG LEU 111 HG LEU 111 -0.387 -4.103 -13.118 883 HD11 LEU 111 HD11 LEU 111 1.803 -3.335 -13.907 884 HD12 LEU 111 HD12 LEU 111 2.616 -4.655 -13.038 885 HD13 LEU 111 HD13 LEU 111 1.798 -3.368 -12.136 886 HD21 LEU 111 HD21 LEU 111 -0.519 -6.169 -14.436 887 HD22 LEU 111 HD22 LEU 111 1.231 -6.433 -14.256 888 HD23 LEU 111 HD23 LEU 111 0.616 -5.058 -15.202 889 H LYS 112 H LYS 112 -1.096 -9.091 -11.444 890 HA LYS 112 HA LYS 112 -1.179 -9.382 -8.546 891 HB2 LYS 112 HB1 LYS 112 -2.316 -10.923 -10.075 892 HB3 LYS 112 HB2 LYS 112 -0.770 -11.375 -10.820 893 HG2 LYS 112 HG1 LYS 112 0.000 -12.401 -8.788 894 HG3 LYS 112 HG2 LYS 112 -1.347 -11.755 -7.846 895 HD2 LYS 112 HD1 LYS 112 -1.691 -13.650 -10.203 896 HD3 LYS 112 HD2 LYS 112 -1.491 -14.219 -8.539 897 HE2 LYS 112 HE1 LYS 112 -3.760 -12.478 -9.580 898 HE3 LYS 112 HE2 LYS 112 -3.843 -14.223 -9.221 899 HZ1 LYS 112 HZ1 LYS 112 -3.299 -13.649 -6.902 900 HZ2 LYS 112 HZ2 LYS 112 -4.719 -12.982 -7.386 901 HZ3 LYS 112 HZ3 LYS 112 -3.434 -12.018 -7.300 902 H VAL 113 H VAL 113 0.607 -8.455 -7.650 903 HA VAL 113 HA VAL 113 3.333 -9.388 -8.521 904 HB VAL 113 HB VAL 113 4.310 -7.692 -7.144 905 HG11 VAL 113 HG11 VAL 113 2.223 -6.500 -9.013 906 HG12 VAL 113 HG12 VAL 113 3.740 -5.740 -8.490 907 HG13 VAL 113 HG13 VAL 113 3.783 -7.194 -9.497 908 HG21 VAL 113 HG21 VAL 113 3.050 -5.891 -6.073 909 HG22 VAL 113 HG22 VAL 113 1.515 -6.661 -6.517 910 HG23 VAL 113 HG23 VAL 113 2.611 -7.444 -5.357 911 H VAL 114 H VAL 114 4.820 -10.090 -6.871 912 HA VAL 114 HA VAL 114 3.500 -11.495 -4.596 913 HB VAL 114 HB VAL 114 4.605 -12.952 -6.239 914 HG11 VAL 114 HG11 VAL 114 7.251 -11.707 -5.398 915 HG12 VAL 114 HG12 VAL 114 7.009 -13.083 -6.488 916 HG13 VAL 114 HG13 VAL 114 6.459 -11.473 -6.973 917 HG21 VAL 114 HG21 VAL 114 4.374 -13.624 -3.892 918 HG22 VAL 114 HG22 VAL 114 5.822 -14.324 -4.632 919 HG23 VAL 114 HG23 VAL 114 5.980 -12.947 -3.523 920 H LEU 115 H LEU 115 4.167 -11.060 -2.548 921 HA LEU 115 HA LEU 115 6.547 -9.345 -1.969 922 HB2 LEU 115 HB1 LEU 115 3.760 -8.952 -0.789 923 HB3 LEU 115 HB2 LEU 115 5.201 -7.997 -0.403 924 HG LEU 115 HG LEU 115 3.826 -8.013 -3.129 925 HD11 LEU 115 HD11 LEU 115 2.860 -5.868 -2.436 926 HD12 LEU 115 HD12 LEU 115 3.587 -6.047 -0.819 927 HD13 LEU 115 HD13 LEU 115 2.335 -7.175 -1.367 928 HD21 LEU 115 HD21 LEU 115 5.144 -5.975 -3.527 929 HD22 LEU 115 HD22 LEU 115 6.240 -7.314 -3.161 930 HD23 LEU 115 HD23 LEU 115 5.885 -6.112 -1.917 931 HA PRO 116 HA PRO 116 6.599 -12.445 1.340 932 HB2 PRO 116 HB1 PRO 116 8.280 -11.382 3.183 933 HB3 PRO 116 HB2 PRO 116 8.853 -11.904 1.571 934 HG2 PRO 116 HG1 PRO 116 8.099 -9.101 2.452 935 HG3 PRO 116 HG2 PRO 116 9.589 -9.623 1.590 936 HD2 PRO 116 HD1 PRO 116 7.419 -8.588 0.274 937 HD3 PRO 116 HD2 PRO 116 8.430 -9.881 -0.436 938 H VAL 117 H VAL 117 5.597 -12.940 3.332 939 HA VAL 117 HA VAL 117 4.052 -10.903 4.782 940 HB VAL 117 HB VAL 117 4.658 -13.852 5.327 941 HG11 VAL 117 HG11 VAL 117 2.965 -13.698 7.120 942 HG12 VAL 117 HG12 VAL 117 4.411 -12.754 7.471 943 HG13 VAL 117 HG13 VAL 117 2.935 -11.925 6.916 944 HG21 VAL 117 HG21 VAL 117 2.175 -12.315 4.442 945 HG22 VAL 117 HG22 VAL 117 3.064 -13.538 3.504 946 HG23 VAL 117 HG23 VAL 117 2.145 -14.015 4.940 947 H GLU 118 H GLU 118 4.826 -9.772 6.521 948 HA GLU 118 HA GLU 118 7.050 -10.719 8.124 949 HB2 GLU 118 HB1 GLU 118 7.606 -9.075 5.842 950 HB3 GLU 118 HB2 GLU 118 7.947 -8.116 7.284 951 HG2 GLU 118 HG1 GLU 118 9.004 -10.951 7.001 952 HG3 GLU 118 HG2 GLU 118 9.841 -9.560 6.258 953 H ALA 119 H ALA 119 7.465 -9.413 9.976 954 HA ALA 119 HA ALA 119 4.798 -8.489 10.963 955 HB1 ALA 119 HB1 ALA 119 5.724 -10.659 11.759 956 HB2 ALA 119 HB2 ALA 119 7.139 -9.807 12.406 957 HB3 ALA 119 HB3 ALA 119 5.527 -9.482 13.080 958 H ARG 120 H ARG 120 4.559 -6.488 11.542 959 HA ARG 120 HA ARG 120 6.591 -4.780 12.826 960 HB2 ARG 120 HB1 ARG 120 5.253 -4.246 10.162 961 HB3 ARG 120 HB2 ARG 120 5.448 -2.869 11.271 962 HG2 ARG 120 HG1 ARG 120 7.183 -3.072 9.468 963 HG3 ARG 120 HG2 ARG 120 7.786 -2.888 11.135 964 HD2 ARG 120 HD1 ARG 120 8.427 -5.098 11.303 965 HD3 ARG 120 HD2 ARG 120 7.341 -5.612 9.979 966 HE ARG 120 HE ARG 120 9.266 -4.135 8.707 967 HH11 ARG 120 HH12 ARG 120 9.058 -6.992 10.797 968 HH12 ARG 120 HH11 ARG 120 10.138 -7.899 9.771 969 HH21 ARG 120 HH22 ARG 120 10.613 -5.539 7.403 970 HH22 ARG 120 HH21 ARG 120 10.958 -7.139 8.074 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 10.683 -9.890 -3.451 2 H2 GLY 1 2H GLY 1 9.509 -10.673 -4.283 3 H3 GLY 1 3H GLY 1 9.126 -9.858 -2.933 4 HA2 GLY 1 HA3 GLY 1 8.438 -8.582 -4.846 5 HA3 GLY 1 HA2 GLY 1 9.705 -7.741 -3.922 6 H SER 2 H SER 2 9.577 -6.747 -6.354 7 HA SER 2 HA SER 2 11.048 -8.114 -8.418 8 HB2 SER 2 HB1 SER 2 10.825 -5.143 -8.308 9 HB3 SER 2 HB2 SER 2 10.571 -6.228 -9.673 10 HG SER 2 HG SER 2 8.764 -5.057 -8.786 11 H PHE 3 H PHE 3 12.592 -8.209 -6.054 12 HA PHE 3 HA PHE 3 14.309 -7.551 -4.782 13 HB2 PHE 3 HB1 PHE 3 15.359 -5.960 -7.132 14 HB3 PHE 3 HB2 PHE 3 16.256 -6.452 -5.681 15 HD1 PHE 3 HD2 PHE 3 16.436 -9.015 -5.213 16 HD2 PHE 3 HD1 PHE 3 15.330 -7.364 -9.040 17 HE1 PHE 3 HE2 PHE 3 16.988 -11.173 -6.306 18 HE2 PHE 3 HE1 PHE 3 15.898 -9.519 -10.131 19 HZ PHE 3 HZ PHE 3 16.720 -11.431 -8.765 20 H THR 4 H THR 4 12.131 -5.302 -6.028 21 HA THR 4 HA THR 4 12.599 -3.010 -4.388 22 HB THR 4 HB THR 4 10.054 -2.740 -4.679 23 HG1 THR 4 HG1 THR 4 9.398 -4.130 -6.523 24 HG21 THR 4 HG21 THR 4 11.767 -3.113 -7.182 25 HG22 THR 4 HG22 THR 4 11.663 -1.644 -6.182 26 HG23 THR 4 HG23 THR 4 10.244 -2.209 -7.076 27 H GLU 5 H GLU 5 11.768 -2.363 -2.532 28 HA GLU 5 HA GLU 5 11.474 -4.524 -0.540 29 HB2 GLU 5 HB1 GLU 5 12.673 -3.020 0.955 30 HB3 GLU 5 HB2 GLU 5 13.612 -3.493 -0.467 31 HG2 GLU 5 HG1 GLU 5 12.243 -0.802 -0.149 32 HG3 GLU 5 HG2 GLU 5 13.927 -1.136 0.327 33 H GLY 6 H GLY 6 9.837 -4.648 0.720 34 HA2 GLY 6 HA3 GLY 6 8.340 -2.567 1.945 35 HA3 GLY 6 HA2 GLY 6 7.468 -3.203 0.531 36 H TRP 7 H TRP 7 6.270 -3.589 2.955 37 HA TRP 7 HA TRP 7 6.449 -6.508 3.271 38 HB2 TRP 7 HB1 TRP 7 6.479 -6.471 5.645 39 HB3 TRP 7 HB2 TRP 7 7.902 -5.639 5.071 40 HD1 TRP 7 HD TRP 7 5.152 -5.431 7.456 41 HE1 TRP 7 HE1 TRP 7 5.137 -3.199 8.715 42 HE3 TRP 7 3HE TRP 7 8.295 -2.757 4.396 43 HZ2 TRP 7 HZ2 TRP 7 6.275 -0.592 8.398 44 HZ3 TRP 7 HZ3 TRP 7 8.777 -0.380 4.885 45 HH2 TRP 7 HH TRP 7 7.791 0.718 6.889 46 H VAL 8 H VAL 8 4.676 -7.510 4.170 47 HA VAL 8 HA VAL 8 2.187 -5.851 4.391 48 HB VAL 8 HB VAL 8 2.320 -8.809 3.711 49 HG11 VAL 8 HG11 VAL 8 -0.176 -8.398 3.311 50 HG12 VAL 8 HG12 VAL 8 0.323 -8.312 5.006 51 HG13 VAL 8 HG13 VAL 8 0.025 -6.826 4.070 52 HG21 VAL 8 HG21 VAL 8 1.264 -7.825 1.535 53 HG22 VAL 8 HG22 VAL 8 1.880 -6.271 2.079 54 HG23 VAL 8 HG23 VAL 8 3.007 -7.599 1.758 55 H ARG 9 H ARG 9 1.290 -5.694 6.249 56 HA ARG 9 HA ARG 9 2.942 -6.327 8.487 57 HB2 ARG 9 HB1 ARG 9 1.858 -4.154 8.092 58 HB3 ARG 9 HB2 ARG 9 0.266 -4.881 8.364 59 HG2 ARG 9 HG1 ARG 9 0.863 -5.451 10.655 60 HG3 ARG 9 HG2 ARG 9 2.543 -4.923 10.383 61 HD2 ARG 9 HD1 ARG 9 1.630 -2.610 9.910 62 HD3 ARG 9 HD2 ARG 9 0.048 -3.156 10.449 63 HE ARG 9 HE ARG 9 2.523 -2.779 12.009 64 HH11 ARG 9 HH12 ARG 9 -0.771 -3.920 12.420 65 HH12 ARG 9 HH11 ARG 9 -0.351 -4.834 13.851 66 HH21 ARG 9 HH22 ARG 9 3.007 -3.796 13.683 67 HH22 ARG 9 HH21 ARG 9 1.831 -4.606 14.720 68 H PHE 10 H PHE 10 2.922 -8.234 9.407 69 HA PHE 10 HA PHE 10 0.666 -9.973 9.772 70 HB2 PHE 10 HB1 PHE 10 2.784 -10.987 9.766 71 HB3 PHE 10 HB2 PHE 10 3.466 -9.783 10.877 72 HD1 PHE 10 HD2 PHE 10 0.418 -12.018 11.113 73 HD2 PHE 10 HD1 PHE 10 4.206 -10.846 12.803 74 HE1 PHE 10 HE2 PHE 10 -0.009 -13.467 13.070 75 HE2 PHE 10 HE1 PHE 10 3.781 -12.313 14.751 76 HZ PHE 10 HZ PHE 10 1.649 -13.585 14.917 77 H SER 11 H SER 11 -1.046 -9.588 11.077 78 HA SER 11 HA SER 11 -0.533 -9.359 13.904 79 HB2 SER 11 HB1 SER 11 -1.660 -7.078 12.312 80 HB3 SER 11 HB2 SER 11 -2.397 -7.441 13.884 81 HG SER 11 HG SER 11 0.412 -7.231 13.478 82 HA PRO 12 HA PRO 12 -4.331 -11.780 13.511 83 HB2 PRO 12 HB1 PRO 12 -4.656 -12.588 16.058 84 HB3 PRO 12 HB2 PRO 12 -3.230 -13.110 15.107 85 HG2 PRO 12 HG1 PRO 12 -3.396 -10.814 17.086 86 HG3 PRO 12 HG2 PRO 12 -2.172 -12.130 17.024 87 HD2 PRO 12 HD1 PRO 12 -1.781 -9.651 15.880 88 HD3 PRO 12 HD2 PRO 12 -1.087 -11.150 15.200 89 H GLY 13 H GLY 13 -5.222 -9.605 12.874 90 HA2 GLY 13 HA3 GLY 13 -7.092 -8.538 14.943 91 HA3 GLY 13 HA2 GLY 13 -6.182 -7.477 13.843 92 HA PRO 14 HA PRO 14 -10.262 -8.400 11.698 93 HB2 PRO 14 HB1 PRO 14 -11.544 -6.045 12.117 94 HB3 PRO 14 HB2 PRO 14 -11.643 -7.388 13.298 95 HG2 PRO 14 HG1 PRO 14 -9.788 -4.988 13.373 96 HG3 PRO 14 HG2 PRO 14 -10.841 -5.609 14.693 97 HD2 PRO 14 HD1 PRO 14 -8.182 -6.259 14.499 98 HD3 PRO 14 HD2 PRO 14 -9.397 -7.426 15.102 99 H ASN 15 H ASN 15 -7.693 -6.025 11.976 100 HA ASN 15 HA ASN 15 -7.728 -5.709 9.098 101 HB2 ASN 15 HB1 ASN 15 -7.843 -3.412 9.031 102 HB3 ASN 15 HB2 ASN 15 -9.025 -3.783 10.286 103 HD21 ASN 15 HD21 ASN 15 -6.777 -1.575 9.487 104 HD22 ASN 15 HD22 ASN 15 -6.265 -1.115 11.098 105 H ALA 16 H ALA 16 -5.805 -4.559 8.299 106 HA ALA 16 HA ALA 16 -3.303 -4.637 9.736 107 HB1 ALA 16 HB1 ALA 16 -3.622 -7.059 9.446 108 HB2 ALA 16 HB2 ALA 16 -3.897 -6.839 7.702 109 HB3 ALA 16 HB3 ALA 16 -2.310 -6.501 8.413 110 H ALA 17 H ALA 17 -1.632 -4.887 7.409 111 HA ALA 17 HA ALA 17 -2.464 -2.656 5.689 112 HB1 ALA 17 HB1 ALA 17 -0.674 -1.180 6.500 113 HB2 ALA 17 HB2 ALA 17 -1.715 -1.626 7.862 114 HB3 ALA 17 HB3 ALA 17 -0.144 -2.421 7.654 115 H ALA 18 H ALA 18 -0.851 -2.059 4.078 116 HA ALA 18 HA ALA 18 1.597 -3.704 3.925 117 HB1 ALA 18 HB1 ALA 18 -0.008 -4.816 2.394 118 HB2 ALA 18 HB2 ALA 18 -0.233 -3.288 1.521 119 HB3 ALA 18 HB3 ALA 18 1.349 -4.073 1.513 120 H TYR 19 H TYR 19 3.362 -2.626 3.279 121 HA TYR 19 HA TYR 19 3.207 0.225 2.362 122 HB2 TYR 19 HB1 TYR 19 5.260 -0.713 4.349 123 HB3 TYR 19 HB2 TYR 19 4.702 0.924 4.040 124 HD1 TYR 19 HD1 TYR 19 2.633 1.739 5.128 125 HD2 TYR 19 HD2 TYR 19 4.151 -2.203 5.850 126 HE1 TYR 19 HE1 TYR 19 1.224 1.587 7.185 127 HE2 TYR 19 HE2 TYR 19 2.943 -2.317 7.986 128 HH TYR 19 HH TYR 19 0.716 0.358 9.022 129 H LEU 20 H LEU 20 4.958 0.797 0.953 130 HA LEU 20 HA LEU 20 7.074 -1.121 0.384 131 HB2 LEU 20 HB1 LEU 20 6.265 -1.858 -1.787 132 HB3 LEU 20 HB2 LEU 20 5.186 -2.398 -0.502 133 HG LEU 20 HG LEU 20 4.559 0.033 -2.224 134 HD11 LEU 20 HD11 LEU 20 4.929 -1.920 -3.707 135 HD12 LEU 20 HD12 LEU 20 3.235 -1.413 -3.674 136 HD13 LEU 20 HD13 LEU 20 3.729 -2.843 -2.769 137 HD21 LEU 20 HD21 LEU 20 3.093 -0.138 -0.257 138 HD22 LEU 20 HD22 LEU 20 2.814 -1.864 -0.571 139 HD23 LEU 20 HD23 LEU 20 2.191 -0.629 -1.679 140 H THR 21 H THR 21 8.569 -0.555 -1.126 141 HA THR 21 HA THR 21 8.411 2.093 -2.374 142 HB THR 21 HB THR 21 10.428 -0.055 -3.052 143 HG1 THR 21 HG1 THR 21 10.785 0.172 -0.975 144 HG21 THR 21 HG21 THR 21 10.255 2.047 -4.461 145 HG22 THR 21 HG22 THR 21 11.793 1.912 -3.581 146 HG23 THR 21 HG23 THR 21 10.521 3.002 -2.977 147 H LEU 22 H LEU 22 6.789 2.191 -3.699 148 HA LEU 22 HA LEU 22 5.855 0.138 -5.553 149 HB2 LEU 22 HB1 LEU 22 4.615 2.028 -4.280 150 HB3 LEU 22 HB2 LEU 22 5.277 3.139 -5.474 151 HG LEU 22 HG LEU 22 3.043 2.710 -6.030 152 HD11 LEU 22 HD11 LEU 22 4.702 2.607 -7.930 153 HD12 LEU 22 HD12 LEU 22 3.107 1.889 -8.251 154 HD13 LEU 22 HD13 LEU 22 4.491 0.838 -7.906 155 HD21 LEU 22 HD21 LEU 22 2.076 0.455 -6.369 156 HD22 LEU 22 HD22 LEU 22 2.645 0.690 -4.710 157 HD23 LEU 22 HD23 LEU 22 3.605 -0.279 -5.851 158 H GLU 23 H GLU 23 6.502 -0.017 -7.707 159 HA GLU 23 HA GLU 23 8.648 1.820 -8.628 160 HB2 GLU 23 HB1 GLU 23 9.397 0.070 -10.070 161 HB3 GLU 23 HB2 GLU 23 9.352 -0.469 -8.383 162 HG2 GLU 23 HG1 GLU 23 7.199 -1.651 -8.865 163 HG3 GLU 23 HG2 GLU 23 7.305 -1.140 -10.564 164 H ASN 24 H ASN 24 8.522 2.916 -10.484 165 HA ASN 24 HA ASN 24 6.735 1.793 -12.575 166 HB2 ASN 24 HB1 ASN 24 6.011 4.106 -11.861 167 HB3 ASN 24 HB2 ASN 24 7.575 4.712 -12.424 168 HD21 ASN 24 HD21 ASN 24 5.399 5.786 -13.626 169 HD22 ASN 24 HD22 ASN 24 5.269 5.157 -15.277 170 HA PRO 25 HA PRO 25 10.915 1.634 -14.414 171 HB2 PRO 25 HB1 PRO 25 10.757 -0.778 -15.633 172 HB3 PRO 25 HB2 PRO 25 10.895 -0.672 -13.850 173 HG2 PRO 25 HG1 PRO 25 8.360 -0.999 -15.491 174 HG3 PRO 25 HG2 PRO 25 8.895 -1.992 -14.092 175 HD2 PRO 25 HD1 PRO 25 7.151 0.120 -13.845 176 HD3 PRO 25 HD2 PRO 25 8.336 -0.303 -12.572 177 H GLY 26 H GLY 26 7.759 1.929 -15.744 178 HA2 GLY 26 HA3 GLY 26 8.546 1.704 -18.556 179 HA3 GLY 26 HA2 GLY 26 6.928 2.037 -17.895 180 H ASP 27 H ASP 27 8.214 3.332 -20.051 181 HA ASP 27 HA ASP 27 9.147 5.946 -19.257 182 HB2 ASP 27 HB1 ASP 27 8.523 4.740 -21.976 183 HB3 ASP 27 HB2 ASP 27 9.469 6.212 -21.676 184 H LEU 28 H LEU 28 6.119 4.911 -19.117 185 HA LEU 28 HA LEU 28 5.005 7.607 -19.619 186 HB2 LEU 28 HB1 LEU 28 2.887 6.648 -20.238 187 HB3 LEU 28 HB2 LEU 28 4.199 6.056 -21.293 188 HG LEU 28 HG LEU 28 4.138 3.909 -19.847 189 HD11 LEU 28 HD11 LEU 28 1.815 3.458 -18.887 190 HD12 LEU 28 HD12 LEU 28 1.506 5.207 -18.992 191 HD13 LEU 28 HD13 LEU 28 2.786 4.573 -17.939 192 HD21 LEU 28 HD21 LEU 28 3.302 4.067 -22.163 193 HD22 LEU 28 HD22 LEU 28 1.739 4.668 -21.572 194 HD23 LEU 28 HD23 LEU 28 2.267 3.013 -21.191 195 HA PRO 29 HA PRO 29 4.221 7.607 -15.372 196 HB2 PRO 29 HB1 PRO 29 2.045 9.189 -14.972 197 HB3 PRO 29 HB2 PRO 29 3.571 9.800 -15.671 198 HG2 PRO 29 HG1 PRO 29 1.052 8.963 -17.113 199 HG3 PRO 29 HG2 PRO 29 2.072 10.414 -17.411 200 HD2 PRO 29 HD1 PRO 29 2.221 8.054 -18.872 201 HD3 PRO 29 HD2 PRO 29 3.604 9.147 -18.671 202 H LEU 30 H LEU 30 3.023 6.731 -13.573 203 HA LEU 30 HA LEU 30 0.921 4.723 -14.280 204 HB2 LEU 30 HB1 LEU 30 3.401 4.619 -12.758 205 HB3 LEU 30 HB2 LEU 30 2.004 4.051 -11.821 206 HG LEU 30 HG LEU 30 1.492 2.389 -13.430 207 HD11 LEU 30 HD11 LEU 30 1.962 3.357 -15.576 208 HD12 LEU 30 HD12 LEU 30 2.866 1.853 -15.386 209 HD13 LEU 30 HD13 LEU 30 3.700 3.412 -15.215 210 HD21 LEU 30 HD21 LEU 30 4.487 2.292 -13.091 211 HD22 LEU 30 HD22 LEU 30 3.350 0.934 -13.150 212 HD23 LEU 30 HD23 LEU 30 3.370 2.034 -11.756 213 H ARG 31 H ARG 31 -0.964 5.113 -13.442 214 HA ARG 31 HA ARG 31 -1.261 6.811 -10.980 215 HB2 ARG 31 HB1 ARG 31 -2.251 7.849 -12.992 216 HB3 ARG 31 HB2 ARG 31 -3.346 6.468 -13.147 217 HG2 ARG 31 HG1 ARG 31 -4.478 7.009 -11.128 218 HG3 ARG 31 HG2 ARG 31 -3.209 8.118 -10.587 219 HD2 ARG 31 HD1 ARG 31 -4.940 8.630 -13.028 220 HD3 ARG 31 HD2 ARG 31 -5.315 9.220 -11.385 221 HE ARG 31 HE ARG 31 -3.121 10.467 -11.477 222 HH11 ARG 31 HH12 ARG 31 -4.891 9.932 -14.487 223 HH12 ARG 31 HH11 ARG 31 -4.073 11.270 -15.264 224 HH21 ARG 31 HH22 ARG 31 -2.038 11.955 -12.526 225 HH22 ARG 31 HH21 ARG 31 -2.453 12.436 -14.145 226 H LEU 32 H LEU 32 -1.337 5.479 -9.374 227 HA LEU 32 HA LEU 32 -2.261 2.677 -9.561 228 HB2 LEU 32 HB1 LEU 32 -0.125 3.188 -8.530 229 HB3 LEU 32 HB2 LEU 32 -0.891 4.366 -7.439 230 HG LEU 32 HG LEU 32 -2.204 2.332 -6.481 231 HD11 LEU 32 HD11 LEU 32 0.088 0.847 -7.856 232 HD12 LEU 32 HD12 LEU 32 -1.616 0.725 -8.316 233 HD13 LEU 32 HD13 LEU 32 -1.092 0.152 -6.727 234 HD21 LEU 32 HD21 LEU 32 -0.281 1.773 -4.999 235 HD22 LEU 32 HD22 LEU 32 -0.430 3.517 -5.273 236 HD23 LEU 32 HD23 LEU 32 0.806 2.594 -6.137 237 H VAL 33 H VAL 33 -4.349 2.240 -9.168 238 HA VAL 33 HA VAL 33 -6.006 4.200 -7.628 239 HB VAL 33 HB VAL 33 -7.958 3.324 -8.808 240 HG11 VAL 33 HG11 VAL 33 -7.483 4.225 -11.027 241 HG12 VAL 33 HG12 VAL 33 -6.679 5.209 -9.794 242 HG13 VAL 33 HG13 VAL 33 -5.737 4.063 -10.763 243 HG21 VAL 33 HG21 VAL 33 -6.074 1.611 -10.484 244 HG22 VAL 33 HG22 VAL 33 -7.159 0.974 -9.223 245 HG23 VAL 33 HG23 VAL 33 -7.830 1.766 -10.649 246 H GLY 34 H GLY 34 -4.668 1.047 -7.289 247 HA2 GLY 34 HA3 GLY 34 -5.563 0.737 -4.674 248 HA3 GLY 34 HA2 GLY 34 -6.661 -0.210 -5.704 249 H ALA 35 H ALA 35 -5.728 -1.980 -4.388 250 HA ALA 35 HA ALA 35 -4.035 -3.397 -6.168 251 HB1 ALA 35 HB1 ALA 35 -2.308 -2.398 -4.664 252 HB2 ALA 35 HB2 ALA 35 -3.062 -3.232 -3.290 253 HB3 ALA 35 HB3 ALA 35 -2.342 -4.159 -4.642 254 H ARG 36 H ARG 36 -3.853 -5.839 -5.047 255 HA ARG 36 HA ARG 36 -6.287 -6.548 -3.587 256 HB2 ARG 36 HB1 ARG 36 -7.376 -6.436 -5.634 257 HB3 ARG 36 HB2 ARG 36 -5.957 -6.921 -6.570 258 HG2 ARG 36 HG1 ARG 36 -6.149 -9.211 -5.633 259 HG3 ARG 36 HG2 ARG 36 -7.601 -8.703 -4.745 260 HD2 ARG 36 HD1 ARG 36 -8.519 -9.731 -6.618 261 HD3 ARG 36 HD2 ARG 36 -8.491 -8.041 -7.136 262 HE ARG 36 HE ARG 36 -6.027 -9.460 -7.824 263 HH11 ARG 36 HH12 ARG 36 -9.361 -9.076 -8.985 264 HH12 ARG 36 HH11 ARG 36 -8.920 -9.594 -10.591 265 HH21 ARG 36 HH22 ARG 36 -5.542 -10.040 -9.759 266 HH22 ARG 36 HH21 ARG 36 -6.720 -10.104 -11.070 267 H THR 37 H THR 37 -6.157 -8.708 -2.763 268 HA THR 37 HA THR 37 -3.468 -10.014 -2.962 269 HB THR 37 HB THR 37 -3.140 -8.355 -1.355 270 HG1 THR 37 HG1 THR 37 -2.250 -10.106 -0.680 271 HG21 THR 37 HG21 THR 37 -5.741 -9.211 -0.043 272 HG22 THR 37 HG22 THR 37 -5.311 -7.610 -0.669 273 HG23 THR 37 HG23 THR 37 -4.483 -8.236 0.755 274 HA PRO 38 HA PRO 38 -6.230 -13.527 -1.826 275 HB2 PRO 38 HB1 PRO 38 -4.482 -15.484 -1.290 276 HB3 PRO 38 HB2 PRO 38 -4.600 -14.722 -2.921 277 HG2 PRO 38 HG1 PRO 38 -2.608 -14.008 -0.765 278 HG3 PRO 38 HG2 PRO 38 -2.257 -14.546 -2.448 279 HD2 PRO 38 HD1 PRO 38 -2.484 -11.897 -1.780 280 HD3 PRO 38 HD2 PRO 38 -3.061 -12.515 -3.355 281 H VAL 39 H VAL 39 -4.269 -11.748 0.232 282 HA VAL 39 HA VAL 39 -5.066 -13.298 2.658 283 HB VAL 39 HB VAL 39 -3.403 -12.327 3.901 284 HG11 VAL 39 HG11 VAL 39 -2.081 -12.299 1.181 285 HG12 VAL 39 HG12 VAL 39 -1.409 -12.761 2.763 286 HG13 VAL 39 HG13 VAL 39 -2.621 -13.785 1.989 287 HG21 VAL 39 HG21 VAL 39 -3.554 -9.947 2.076 288 HG22 VAL 39 HG22 VAL 39 -3.507 -10.033 3.832 289 HG23 VAL 39 HG23 VAL 39 -2.026 -10.283 2.897 290 H ALA 40 H ALA 40 -6.522 -10.708 1.064 291 HA ALA 40 HA ALA 40 -8.056 -10.083 3.469 292 HB1 ALA 40 HB1 ALA 40 -6.569 -7.856 2.044 293 HB2 ALA 40 HB2 ALA 40 -7.613 -7.710 3.468 294 HB3 ALA 40 HB3 ALA 40 -6.065 -8.566 3.599 295 H GLU 41 H GLU 41 -9.874 -8.778 3.135 296 HA GLU 41 HA GLU 41 -11.175 -9.445 0.584 297 HB2 GLU 41 HB1 GLU 41 -11.845 -10.043 3.051 298 HB3 GLU 41 HB2 GLU 41 -12.536 -8.429 3.121 299 HG2 GLU 41 HG1 GLU 41 -14.284 -9.962 2.516 300 HG3 GLU 41 HG2 GLU 41 -13.912 -9.023 1.069 301 H ARG 42 H ARG 42 -11.741 -6.686 2.816 302 HA ARG 42 HA ARG 42 -12.031 -4.829 0.530 303 HB2 ARG 42 HB1 ARG 42 -13.680 -4.518 2.132 304 HB3 ARG 42 HB2 ARG 42 -12.568 -4.675 3.490 305 HG2 ARG 42 HG1 ARG 42 -11.577 -2.494 2.971 306 HG3 ARG 42 HG2 ARG 42 -12.550 -2.351 1.498 307 HD2 ARG 42 HD1 ARG 42 -13.787 -2.710 4.253 308 HD3 ARG 42 HD2 ARG 42 -13.399 -1.114 3.614 309 HE ARG 42 HE ARG 42 -15.507 -2.970 2.714 310 HH11 ARG 42 HH12 ARG 42 -13.821 0.093 2.011 311 HH12 ARG 42 HH11 ARG 42 -15.025 0.604 0.883 312 HH21 ARG 42 HH22 ARG 42 -17.032 -2.240 1.238 313 HH22 ARG 42 HH21 ARG 42 -16.812 -0.702 0.452 314 H VAL 43 H VAL 43 -10.278 -4.158 -0.308 315 HA VAL 43 HA VAL 43 -7.913 -3.369 1.321 316 HB VAL 43 HB VAL 43 -7.319 -5.238 -0.010 317 HG11 VAL 43 HG11 VAL 43 -7.557 -5.388 -2.408 318 HG12 VAL 43 HG12 VAL 43 -9.138 -5.183 -1.689 319 HG13 VAL 43 HG13 VAL 43 -8.350 -3.802 -2.484 320 HG21 VAL 43 HG21 VAL 43 -6.222 -2.791 -1.456 321 HG22 VAL 43 HG22 VAL 43 -5.647 -3.392 0.114 322 HG23 VAL 43 HG23 VAL 43 -5.480 -4.400 -1.334 323 H GLU 44 H GLU 44 -7.237 -1.324 1.185 324 HA GLU 44 HA GLU 44 -8.487 0.579 -0.779 325 HB2 GLU 44 HB1 GLU 44 -8.398 0.856 2.251 326 HB3 GLU 44 HB2 GLU 44 -8.996 2.075 1.099 327 HG2 GLU 44 HG1 GLU 44 -10.802 0.518 0.431 328 HG3 GLU 44 HG2 GLU 44 -10.230 -0.659 1.632 329 H LEU 45 H LEU 45 -6.974 2.179 -1.484 330 HA LEU 45 HA LEU 45 -4.456 2.394 -0.031 331 HB2 LEU 45 HB1 LEU 45 -4.745 2.376 -2.563 332 HB3 LEU 45 HB2 LEU 45 -5.375 4.017 -2.435 333 HG LEU 45 HG LEU 45 -2.736 3.282 -1.095 334 HD11 LEU 45 HD11 LEU 45 -3.146 3.958 -4.023 335 HD12 LEU 45 HD12 LEU 45 -2.537 2.434 -3.353 336 HD13 LEU 45 HD13 LEU 45 -1.575 3.912 -3.155 337 HD21 LEU 45 HD21 LEU 45 -3.684 5.603 -0.794 338 HD22 LEU 45 HD22 LEU 45 -3.616 5.796 -2.566 339 HD23 LEU 45 HD23 LEU 45 -2.123 5.573 -1.620 340 H HIS 46 H HIS 46 -4.137 3.618 1.537 341 HA HIS 46 HA HIS 46 -5.741 6.061 2.033 342 HB2 HIS 46 HB1 HIS 46 -4.316 4.154 3.891 343 HB3 HIS 46 HB2 HIS 46 -4.828 5.773 4.411 344 HD2 HIS 46 HD2 HIS 46 -7.317 3.607 2.324 345 HE1 HIS 46 HE1 HIS 46 -8.771 3.788 6.283 346 HE2 HIS 46 HE2 HIS 46 -9.249 2.935 3.922 347 H GLU 47 H GLU 47 -4.720 7.857 2.873 348 HA GLU 47 HA GLU 47 -1.804 8.239 2.299 349 HB2 GLU 47 HB1 GLU 47 -2.317 10.650 2.212 350 HB3 GLU 47 HB2 GLU 47 -3.140 9.731 0.928 351 HG2 GLU 47 HG1 GLU 47 -5.233 9.893 1.975 352 HG3 GLU 47 HG2 GLU 47 -4.546 10.349 3.547 353 H THR 48 H THR 48 -1.032 10.149 3.864 354 HA THR 48 HA THR 48 -2.355 10.186 6.501 355 HB THR 48 HB THR 48 0.571 9.461 6.282 356 HG1 THR 48 HG1 THR 48 -1.630 8.011 6.095 357 HG21 THR 48 HG21 THR 48 -1.334 9.707 8.658 358 HG22 THR 48 HG22 THR 48 0.075 10.731 8.323 359 HG23 THR 48 HG23 THR 48 0.307 9.024 8.737 360 H PHE 49 H PHE 49 -2.903 12.222 5.968 361 HA PHE 49 HA PHE 49 -1.010 14.270 5.151 362 HB2 PHE 49 HB1 PHE 49 -2.939 15.777 5.397 363 HB3 PHE 49 HB2 PHE 49 -3.318 14.366 4.401 364 HD1 PHE 49 HD2 PHE 49 -3.826 15.909 7.782 365 HD2 PHE 49 HD1 PHE 49 -5.082 12.853 5.020 366 HE1 PHE 49 HE2 PHE 49 -5.757 15.397 9.240 367 HE2 PHE 49 HE1 PHE 49 -7.013 12.332 6.507 368 HZ PHE 49 HZ PHE 49 -7.348 13.590 8.578 369 H MET 50 H MET 50 -0.858 16.315 6.389 370 HA MET 50 HA MET 50 -1.078 15.995 9.345 371 HB2 MET 50 HB1 MET 50 0.627 17.660 9.692 372 HB3 MET 50 HB2 MET 50 1.273 16.256 8.815 373 HG2 MET 50 HG1 MET 50 1.352 17.473 6.759 374 HG3 MET 50 HG2 MET 50 0.437 18.831 7.426 375 HE1 MET 50 HE1 MET 50 4.187 19.993 6.616 376 HE2 MET 50 HE2 MET 50 3.379 18.614 5.847 377 HE3 MET 50 HE3 MET 50 2.490 20.133 6.107 378 H ARG 51 H ARG 51 -1.784 17.832 10.498 379 HA ARG 51 HA ARG 51 -3.065 20.052 9.047 380 HB2 ARG 51 HB1 ARG 51 -4.545 17.800 9.411 381 HB3 ARG 51 HB2 ARG 51 -4.809 18.547 10.997 382 HG2 ARG 51 HG1 ARG 51 -6.608 19.292 9.667 383 HG3 ARG 51 HG2 ARG 51 -5.504 20.673 9.692 384 HD2 ARG 51 HD1 ARG 51 -4.629 20.023 7.471 385 HD3 ARG 51 HD2 ARG 51 -5.633 18.554 7.500 386 HE ARG 51 HE ARG 51 -7.102 21.075 7.792 387 HH11 ARG 51 HH12 ARG 51 -5.942 18.678 5.467 388 HH12 ARG 51 HH11 ARG 51 -7.096 19.141 4.250 389 HH21 ARG 51 HH22 ARG 51 -8.551 21.658 6.177 390 HH22 ARG 51 HH21 ARG 51 -8.575 20.799 4.662 391 H GLU 52 H GLU 52 -2.950 21.894 10.279 392 HA GLU 52 HA GLU 52 -2.093 21.885 13.063 393 HB2 GLU 52 HB1 GLU 52 -2.445 23.806 10.921 394 HB3 GLU 52 HB2 GLU 52 -3.234 24.382 12.412 395 HG2 GLU 52 HG1 GLU 52 -0.916 25.149 12.290 396 HG3 GLU 52 HG2 GLU 52 -1.189 24.068 13.671 397 H VAL 53 H VAL 53 -3.373 22.250 14.858 398 HA VAL 53 HA VAL 53 -6.279 22.578 14.479 399 HB VAL 53 HB VAL 53 -5.900 20.171 14.408 400 HG11 VAL 53 HG11 VAL 53 -5.254 18.948 16.380 401 HG12 VAL 53 HG12 VAL 53 -3.990 20.128 15.971 402 HG13 VAL 53 HG13 VAL 53 -5.106 20.454 17.315 403 HG21 VAL 53 HG21 VAL 53 -7.695 19.530 15.908 404 HG22 VAL 53 HG22 VAL 53 -7.526 21.036 16.832 405 HG23 VAL 53 HG23 VAL 53 -8.083 21.082 15.144 406 H GLU 54 H GLU 54 -3.810 22.428 16.855 407 HA GLU 54 HA GLU 54 -5.204 24.486 18.518 408 HB2 GLU 54 HB1 GLU 54 -4.816 22.201 19.468 409 HB3 GLU 54 HB2 GLU 54 -3.093 22.445 19.351 410 HG2 GLU 54 HG1 GLU 54 -4.631 24.570 20.810 411 HG3 GLU 54 HG2 GLU 54 -4.682 22.942 21.543 412 H GLY 55 H GLY 55 -3.730 25.129 16.113 413 HA2 GLY 55 HA3 GLY 55 -2.039 26.525 15.339 414 HA3 GLY 55 HA2 GLY 55 -1.541 26.828 17.019 415 H LYS 56 H LYS 56 -1.396 23.725 17.299 416 HA LYS 56 HA LYS 56 1.180 23.170 15.976 417 HB2 LYS 56 HB1 LYS 56 -0.002 21.254 17.897 418 HB3 LYS 56 HB2 LYS 56 1.644 21.877 17.787 419 HG2 LYS 56 HG1 LYS 56 -0.683 23.290 19.103 420 HG3 LYS 56 HG2 LYS 56 0.540 22.321 19.958 421 HD2 LYS 56 HD1 LYS 56 2.176 23.943 19.742 422 HD3 LYS 56 HD2 LYS 56 1.447 24.662 18.282 423 HE2 LYS 56 HE1 LYS 56 1.241 26.126 20.286 424 HE3 LYS 56 HE2 LYS 56 -0.325 25.658 19.557 425 HZ1 LYS 56 HZ1 LYS 56 -0.449 23.923 21.307 426 HZ2 LYS 56 HZ2 LYS 56 -0.674 25.367 21.816 427 HZ3 LYS 56 HZ3 LYS 56 0.805 24.639 22.098 428 H LYS 57 H LYS 57 1.453 21.008 15.042 429 HA LYS 57 HA LYS 57 -0.911 20.223 13.560 430 HB2 LYS 57 HB1 LYS 57 0.563 18.910 12.132 431 HB3 LYS 57 HB2 LYS 57 0.893 20.640 12.220 432 HG2 LYS 57 HG1 LYS 57 2.675 19.825 14.048 433 HG3 LYS 57 HG2 LYS 57 2.511 18.285 13.178 434 HD2 LYS 57 HD1 LYS 57 4.369 19.513 12.223 435 HD3 LYS 57 HD2 LYS 57 3.072 19.508 11.033 436 HE2 LYS 57 HE1 LYS 57 2.972 21.773 12.959 437 HE3 LYS 57 HE2 LYS 57 4.457 21.753 12.003 438 HZ1 LYS 57 HZ1 LYS 57 2.779 23.064 10.944 439 HZ2 LYS 57 HZ2 LYS 57 1.662 21.966 11.057 440 HZ3 LYS 57 HZ3 LYS 57 2.918 21.699 10.001 441 H VAL 58 H VAL 58 -1.816 18.275 13.307 442 HA VAL 58 HA VAL 58 -0.806 15.909 14.824 443 HB VAL 58 HB VAL 58 -3.696 16.698 14.327 444 HG11 VAL 58 HG11 VAL 58 -2.559 14.143 15.549 445 HG12 VAL 58 HG12 VAL 58 -4.269 14.623 15.623 446 HG13 VAL 58 HG13 VAL 58 -3.527 14.283 14.062 447 HG21 VAL 58 HG21 VAL 58 -2.152 16.339 16.938 448 HG22 VAL 58 HG22 VAL 58 -2.725 17.880 16.267 449 HG23 VAL 58 HG23 VAL 58 -3.893 16.671 16.807 450 H MET 59 H MET 59 -0.599 14.101 13.549 451 HA MET 59 HA MET 59 -1.113 14.289 10.646 452 HB2 MET 59 HB1 MET 59 0.450 12.390 12.396 453 HB3 MET 59 HB2 MET 59 0.096 12.055 10.676 454 HG2 MET 59 HG1 MET 59 2.288 13.018 10.871 455 HG3 MET 59 HG2 MET 59 1.210 14.119 10.013 456 HE1 MET 59 HE1 MET 59 2.999 15.964 10.194 457 HE2 MET 59 HE2 MET 59 3.779 16.492 11.709 458 HE3 MET 59 HE3 MET 59 4.081 14.859 11.070 459 H GLY 60 H GLY 60 -2.632 13.052 9.572 460 HA2 GLY 60 HA3 GLY 60 -4.217 11.057 11.092 461 HA3 GLY 60 HA2 GLY 60 -5.066 12.433 10.351 462 H MET 61 H MET 61 -5.235 9.507 9.839 463 HA MET 61 HA MET 61 -4.301 9.247 7.036 464 HB2 MET 61 HB1 MET 61 -5.614 7.191 8.842 465 HB3 MET 61 HB2 MET 61 -4.833 6.903 7.263 466 HG2 MET 61 HG1 MET 61 -3.229 6.187 8.739 467 HG3 MET 61 HG2 MET 61 -2.696 7.822 8.376 468 HE1 MET 61 HE1 MET 61 -1.048 7.652 10.363 469 HE2 MET 61 HE2 MET 61 -1.504 7.265 12.037 470 HE3 MET 61 HE3 MET 61 -1.625 6.018 10.773 471 H ARG 62 H ARG 62 -5.732 8.307 5.442 472 HA ARG 62 HA ARG 62 -8.524 7.953 5.807 473 HB2 ARG 62 HB1 ARG 62 -9.390 9.699 4.272 474 HB3 ARG 62 HB2 ARG 62 -8.771 10.380 5.780 475 HG2 ARG 62 HG1 ARG 62 -6.808 11.212 4.706 476 HG3 ARG 62 HG2 ARG 62 -7.104 10.272 3.234 477 HD2 ARG 62 HD1 ARG 62 -9.022 12.410 4.125 478 HD3 ARG 62 HD2 ARG 62 -7.591 12.759 3.137 479 HE ARG 62 HE ARG 62 -9.656 10.735 2.328 480 HH11 ARG 62 HH12 ARG 62 -7.260 13.006 1.216 481 HH12 ARG 62 HH11 ARG 62 -7.982 13.209 -0.322 482 HH21 ARG 62 HH22 ARG 62 -10.171 10.589 0.223 483 HH22 ARG 62 HH21 ARG 62 -9.593 11.766 -0.926 484 HA PRO 63 HA PRO 63 -7.659 5.985 1.824 485 HB2 PRO 63 HB1 PRO 63 -10.278 5.680 0.895 486 HB3 PRO 63 HB2 PRO 63 -9.299 4.477 1.751 487 HG2 PRO 63 HG1 PRO 63 -11.545 6.009 2.738 488 HG3 PRO 63 HG2 PRO 63 -10.669 4.670 3.555 489 HD2 PRO 63 HD1 PRO 63 -10.545 7.543 4.052 490 HD3 PRO 63 HD2 PRO 63 -9.741 6.233 4.944 491 H VAL 64 H VAL 64 -7.577 6.506 -0.284 492 HA VAL 64 HA VAL 64 -8.711 9.110 -1.236 493 HB VAL 64 HB VAL 64 -6.510 9.137 -2.680 494 HG11 VAL 64 HG11 VAL 64 -5.413 10.550 -0.941 495 HG12 VAL 64 HG12 VAL 64 -7.121 10.918 -1.224 496 HG13 VAL 64 HG13 VAL 64 -6.647 9.994 0.219 497 HG21 VAL 64 HG21 VAL 64 -4.497 8.331 -1.630 498 HG22 VAL 64 HG22 VAL 64 -5.397 7.685 -0.248 499 HG23 VAL 64 HG23 VAL 64 -5.605 6.969 -1.867 500 HA PRO 65 HA PRO 65 -10.002 6.716 -4.706 501 HB2 PRO 65 HB1 PRO 65 -10.037 8.465 -6.791 502 HB3 PRO 65 HB2 PRO 65 -11.150 8.611 -5.395 503 HG2 PRO 65 HG1 PRO 65 -8.512 10.053 -5.820 504 HG3 PRO 65 HG2 PRO 65 -10.104 10.773 -5.388 505 HD2 PRO 65 HD1 PRO 65 -8.238 10.192 -3.489 506 HD3 PRO 65 HD2 PRO 65 -9.979 9.922 -3.182 507 H PHE 66 H PHE 66 -6.765 8.164 -4.798 508 HA PHE 66 HA PHE 66 -5.614 5.976 -6.090 509 HB2 PHE 66 HB1 PHE 66 -4.871 6.906 -8.195 510 HB3 PHE 66 HB2 PHE 66 -6.616 6.698 -8.158 511 HD1 PHE 66 HD1 PHE 66 -3.849 9.171 -8.202 512 HD2 PHE 66 HD2 PHE 66 -8.112 8.576 -8.385 513 HE1 PHE 66 HE1 PHE 66 -4.125 11.472 -9.052 514 HE2 PHE 66 HE2 PHE 66 -8.393 10.891 -9.236 515 HZ PHE 66 HZ PHE 66 -6.397 12.348 -9.577 516 H LEU 67 H LEU 67 -3.407 6.315 -6.619 517 HA LEU 67 HA LEU 67 -2.040 8.770 -5.706 518 HB2 LEU 67 HB1 LEU 67 -1.546 5.969 -4.931 519 HB3 LEU 67 HB2 LEU 67 -0.128 6.652 -5.746 520 HG LEU 67 HG LEU 67 -1.491 7.727 -3.247 521 HD11 LEU 67 HD11 LEU 67 0.776 7.088 -2.278 522 HD12 LEU 67 HD12 LEU 67 1.219 6.397 -3.835 523 HD13 LEU 67 HD13 LEU 67 -0.118 5.692 -2.898 524 HD21 LEU 67 HD21 LEU 67 -0.569 9.669 -4.453 525 HD22 LEU 67 HD22 LEU 67 0.941 8.789 -4.792 526 HD23 LEU 67 HD23 LEU 67 0.526 9.265 -3.136 527 H GLU 68 H GLU 68 0.208 8.795 -7.005 528 HA GLU 68 HA GLU 68 0.259 7.218 -9.404 529 HB2 GLU 68 HB1 GLU 68 0.240 8.910 -11.048 530 HB3 GLU 68 HB2 GLU 68 -1.255 9.047 -10.106 531 HG2 GLU 68 HG1 GLU 68 -0.107 10.936 -8.813 532 HG3 GLU 68 HG2 GLU 68 1.193 10.843 -10.023 533 H VAL 69 H VAL 69 2.134 7.618 -10.684 534 HA VAL 69 HA VAL 69 4.458 8.645 -9.192 535 HB VAL 69 HB VAL 69 4.294 5.798 -10.331 536 HG11 VAL 69 HG11 VAL 69 6.372 5.402 -9.037 537 HG12 VAL 69 HG12 VAL 69 6.581 6.652 -10.266 538 HG13 VAL 69 HG13 VAL 69 6.391 7.116 -8.565 539 HG21 VAL 69 HG21 VAL 69 2.819 5.754 -8.426 540 HG22 VAL 69 HG22 VAL 69 4.328 4.967 -7.971 541 HG23 VAL 69 HG23 VAL 69 4.000 6.622 -7.420 542 HA PRO 70 HA PRO 70 5.394 9.745 -13.447 543 HB2 PRO 70 HB1 PRO 70 7.982 10.604 -13.230 544 HB3 PRO 70 HB2 PRO 70 6.590 11.527 -12.588 545 HG2 PRO 70 HG1 PRO 70 8.403 9.607 -11.085 546 HG3 PRO 70 HG2 PRO 70 7.939 11.282 -10.614 547 HD2 PRO 70 HD1 PRO 70 6.637 9.111 -9.616 548 HD3 PRO 70 HD2 PRO 70 5.744 10.599 -10.046 549 HA PRO 71 HA PRO 71 7.471 6.298 -15.343 550 HB2 PRO 71 HB1 PRO 71 8.959 7.454 -17.371 551 HB3 PRO 71 HB2 PRO 71 7.203 7.104 -17.406 552 HG2 PRO 71 HG1 PRO 71 8.570 9.717 -16.855 553 HG3 PRO 71 HG2 PRO 71 7.059 9.392 -17.796 554 HD2 PRO 71 HD1 PRO 71 7.030 10.317 -15.222 555 HD3 PRO 71 HD2 PRO 71 5.778 9.228 -15.865 556 H LYS 72 H LYS 72 9.272 5.096 -15.247 557 HA LYS 72 HA LYS 72 11.283 4.292 -14.645 558 HB2 LYS 72 HB1 LYS 72 12.507 7.032 -14.842 559 HB3 LYS 72 HB2 LYS 72 13.241 5.462 -15.203 560 HG2 LYS 72 HG1 LYS 72 11.187 6.987 -16.825 561 HG3 LYS 72 HG2 LYS 72 12.878 6.703 -17.232 562 HD2 LYS 72 HD1 LYS 72 10.903 4.424 -16.916 563 HD3 LYS 72 HD2 LYS 72 11.039 5.370 -18.428 564 HE2 LYS 72 HE1 LYS 72 13.444 4.738 -18.555 565 HE3 LYS 72 HE2 LYS 72 13.224 3.713 -17.126 566 HZ1 LYS 72 HZ1 LYS 72 11.776 3.460 -19.714 567 HZ2 LYS 72 HZ2 LYS 72 11.513 2.499 -18.409 568 HZ3 LYS 72 HZ3 LYS 72 12.960 2.455 -19.211 569 H GLY 73 H GLY 73 9.774 6.364 -12.629 570 HA2 GLY 73 HA3 GLY 73 11.800 6.422 -10.478 571 HA3 GLY 73 HA2 GLY 73 10.282 7.346 -10.535 572 H ARG 74 H ARG 74 11.804 4.928 -9.098 573 HA ARG 74 HA ARG 74 9.294 3.669 -8.117 574 HB2 ARG 74 HB1 ARG 74 10.506 2.111 -6.866 575 HB3 ARG 74 HB2 ARG 74 11.232 2.149 -8.478 576 HG2 ARG 74 HG1 ARG 74 13.075 3.579 -7.553 577 HG3 ARG 74 HG2 ARG 74 12.318 3.437 -5.939 578 HD2 ARG 74 HD1 ARG 74 12.477 0.878 -6.319 579 HD3 ARG 74 HD2 ARG 74 13.634 1.265 -7.599 580 HE ARG 74 HE ARG 74 14.567 2.727 -5.479 581 HH11 ARG 74 HH12 ARG 74 13.738 -0.742 -5.641 582 HH12 ARG 74 HH11 ARG 74 14.289 -0.934 -3.993 583 HH21 ARG 74 HH22 ARG 74 15.383 2.154 -3.396 584 HH22 ARG 74 HH21 ARG 74 15.275 0.467 -2.932 585 H VAL 75 H VAL 75 8.441 4.173 -6.122 586 HA VAL 75 HA VAL 75 9.643 6.312 -4.440 587 HB VAL 75 HB VAL 75 7.653 7.685 -4.468 588 HG11 VAL 75 HG11 VAL 75 8.564 7.248 -7.342 589 HG12 VAL 75 HG12 VAL 75 7.814 8.705 -6.667 590 HG13 VAL 75 HG13 VAL 75 9.423 8.209 -6.117 591 HG21 VAL 75 HG21 VAL 75 6.526 5.760 -6.543 592 HG22 VAL 75 HG22 VAL 75 5.892 6.061 -4.914 593 HG23 VAL 75 HG23 VAL 75 5.829 7.344 -6.123 594 H GLU 76 H GLU 76 7.925 6.738 -2.497 595 HA GLU 76 HA GLU 76 7.629 3.962 -1.459 596 HB2 GLU 76 HB1 GLU 76 9.481 5.679 -0.860 597 HB3 GLU 76 HB2 GLU 76 8.255 6.392 0.183 598 HG2 GLU 76 HG1 GLU 76 8.013 3.967 1.147 599 HG3 GLU 76 HG2 GLU 76 9.540 3.639 0.298 600 H LEU 77 H LEU 77 5.609 3.334 -1.199 601 HA LEU 77 HA LEU 77 3.556 4.968 0.156 602 HB2 LEU 77 HB1 LEU 77 3.695 2.166 -0.950 603 HB3 LEU 77 HB2 LEU 77 2.581 2.527 0.411 604 HG LEU 77 HG LEU 77 1.659 4.418 -1.062 605 HD11 LEU 77 HD11 LEU 77 3.426 4.336 -2.841 606 HD12 LEU 77 HD12 LEU 77 1.801 4.051 -3.488 607 HD13 LEU 77 HD13 LEU 77 2.884 2.682 -3.227 608 HD21 LEU 77 HD21 LEU 77 0.373 2.443 -0.495 609 HD22 LEU 77 HD22 LEU 77 1.218 1.482 -1.730 610 HD23 LEU 77 HD23 LEU 77 0.134 2.802 -2.206 611 H LYS 78 H LYS 78 5.072 5.636 1.734 612 HA LYS 78 HA LYS 78 6.084 3.696 3.661 613 HB2 LYS 78 HB1 LYS 78 7.046 5.628 4.743 614 HB3 LYS 78 HB2 LYS 78 7.251 5.733 2.964 615 HG2 LYS 78 HG1 LYS 78 5.597 7.416 2.767 616 HG3 LYS 78 HG2 LYS 78 5.148 7.243 4.482 617 HD2 LYS 78 HD1 LYS 78 6.489 9.253 4.063 618 HD3 LYS 78 HD2 LYS 78 7.268 8.172 5.207 619 HE2 LYS 78 HE1 LYS 78 7.964 8.068 2.258 620 HE3 LYS 78 HE2 LYS 78 8.645 9.350 3.283 621 HZ1 LYS 78 HZ1 LYS 78 8.998 6.423 3.729 622 HZ2 LYS 78 HZ2 LYS 78 9.715 7.626 4.616 623 HZ3 LYS 78 HZ3 LYS 78 10.047 7.321 3.019 624 HA PRO 79 HA PRO 79 2.695 3.485 6.542 625 HB2 PRO 79 HB1 PRO 79 3.939 3.876 9.015 626 HB3 PRO 79 HB2 PRO 79 3.843 2.332 8.121 627 HG2 PRO 79 HG1 PRO 79 6.104 4.327 8.153 628 HG3 PRO 79 HG2 PRO 79 6.192 2.533 8.255 629 HD2 PRO 79 HD1 PRO 79 6.672 3.807 5.917 630 HD3 PRO 79 HD2 PRO 79 5.702 2.303 5.939 631 H GLY 80 H GLY 80 4.882 6.147 7.724 632 HA2 GLY 80 HA3 GLY 80 2.546 7.913 8.080 633 HA3 GLY 80 HA2 GLY 80 4.244 8.291 8.450 634 H GLY 81 H GLY 81 1.975 7.737 5.762 635 HA2 GLY 81 HA3 GLY 81 2.660 9.969 4.181 636 HA3 GLY 81 HA2 GLY 81 3.668 8.609 3.637 637 H TYR 82 H TYR 82 2.450 6.566 3.074 638 HA TYR 82 HA TYR 82 -0.334 6.771 2.166 639 HB2 TYR 82 HB1 TYR 82 1.866 6.421 0.129 640 HB3 TYR 82 HB2 TYR 82 0.122 6.365 -0.159 641 HD1 TYR 82 HD2 TYR 82 -1.212 8.477 -0.152 642 HD2 TYR 82 HD1 TYR 82 3.081 8.463 0.235 643 HE1 TYR 82 HE2 TYR 82 -1.152 10.890 -0.780 644 HE2 TYR 82 HE1 TYR 82 3.162 10.843 -0.406 645 HH TYR 82 HH TYR 82 1.957 12.641 -1.148 646 H HIS 83 H HIS 83 -1.242 4.624 1.974 647 HA HIS 83 HA HIS 83 0.470 2.305 1.722 648 HB2 HIS 83 HB1 HIS 83 0.294 1.458 4.001 649 HB3 HIS 83 HB2 HIS 83 1.260 2.934 3.921 650 HD1 HIS 83 HD1 HIS 83 0.361 5.022 5.334 651 HD2 HIS 83 HD2 HIS 83 -2.060 1.581 5.320 652 HE1 HIS 83 HE1 HIS 83 -1.469 5.425 7.046 653 H PHE 84 H PHE 84 -0.744 0.240 2.238 654 HA PHE 84 HA PHE 84 -3.573 0.631 1.403 655 HB2 PHE 84 HB1 PHE 84 -1.753 -1.784 1.344 656 HB3 PHE 84 HB2 PHE 84 -3.485 -1.825 0.947 657 HD1 PHE 84 HD2 PHE 84 -4.248 -0.039 -0.877 658 HD2 PHE 84 HD1 PHE 84 -0.233 -1.559 -0.431 659 HE1 PHE 84 HE2 PHE 84 -3.793 0.428 -3.266 660 HE2 PHE 84 HE1 PHE 84 0.225 -1.031 -2.821 661 HZ PHE 84 HZ PHE 84 -1.559 -0.009 -4.219 662 H MET 85 H MET 85 -5.164 0.293 2.758 663 HA MET 85 HA MET 85 -4.738 -1.077 5.377 664 HB2 MET 85 HB1 MET 85 -6.832 0.736 4.218 665 HB3 MET 85 HB2 MET 85 -7.312 -0.431 5.476 666 HG2 MET 85 HG1 MET 85 -5.027 1.518 5.822 667 HG3 MET 85 HG2 MET 85 -6.714 1.830 6.320 668 HE1 MET 85 HE1 MET 85 -3.542 -0.361 8.645 669 HE2 MET 85 HE2 MET 85 -3.536 -0.470 6.883 670 HE3 MET 85 HE3 MET 85 -3.433 1.124 7.662 671 H LEU 86 H LEU 86 -5.425 -3.020 5.807 672 HA LEU 86 HA LEU 86 -6.969 -4.569 3.751 673 HB2 LEU 86 HB1 LEU 86 -5.038 -5.545 5.894 674 HB3 LEU 86 HB2 LEU 86 -5.834 -6.540 4.671 675 HG LEU 86 HG LEU 86 -3.658 -4.447 4.227 676 HD11 LEU 86 HD11 LEU 86 -2.870 -6.551 5.227 677 HD12 LEU 86 HD12 LEU 86 -2.288 -6.376 3.563 678 HD13 LEU 86 HD13 LEU 86 -3.637 -7.478 3.917 679 HD21 LEU 86 HD21 LEU 86 -3.603 -5.172 1.869 680 HD22 LEU 86 HD22 LEU 86 -5.158 -4.436 2.266 681 HD23 LEU 86 HD23 LEU 86 -5.022 -6.201 2.139 682 H LEU 87 H LEU 87 -9.033 -4.749 4.398 683 HA LEU 87 HA LEU 87 -9.752 -5.011 7.301 684 HB2 LEU 87 HB1 LEU 87 -11.133 -3.821 4.876 685 HB3 LEU 87 HB2 LEU 87 -12.038 -4.253 6.335 686 HG LEU 87 HG LEU 87 -11.694 -1.882 6.142 687 HD11 LEU 87 HD11 LEU 87 -10.789 -1.419 8.378 688 HD12 LEU 87 HD12 LEU 87 -10.086 -3.045 8.431 689 HD13 LEU 87 HD13 LEU 87 -11.848 -2.845 8.386 690 HD21 LEU 87 HD21 LEU 87 -9.512 -1.910 4.902 691 HD22 LEU 87 HD22 LEU 87 -8.701 -2.256 6.453 692 HD23 LEU 87 HD23 LEU 87 -9.604 -0.749 6.240 693 H GLY 88 H GLY 88 -10.489 -6.992 7.839 694 HA2 GLY 88 HA3 GLY 88 -11.574 -9.058 7.674 695 HA3 GLY 88 HA2 GLY 88 -12.096 -8.654 6.023 696 H LEU 89 H LEU 89 -9.762 -10.356 7.955 697 HA LEU 89 HA LEU 89 -7.821 -10.601 5.727 698 HB2 LEU 89 HB1 LEU 89 -7.613 -11.527 8.600 699 HB3 LEU 89 HB2 LEU 89 -6.310 -11.494 7.394 700 HG LEU 89 HG LEU 89 -7.709 -9.114 8.693 701 HD11 LEU 89 HD11 LEU 89 -5.990 -10.297 10.050 702 HD12 LEU 89 HD12 LEU 89 -5.516 -8.642 9.641 703 HD13 LEU 89 HD13 LEU 89 -4.797 -10.013 8.766 704 HD21 LEU 89 HD21 LEU 89 -6.142 -7.660 7.442 705 HD22 LEU 89 HD22 LEU 89 -7.249 -8.488 6.352 706 HD23 LEU 89 HD23 LEU 89 -5.571 -9.065 6.511 707 H LYS 90 H LYS 90 -7.868 -12.229 4.390 708 HA LYS 90 HA LYS 90 -9.670 -14.468 4.611 709 HB2 LYS 90 HB1 LYS 90 -7.339 -13.908 2.730 710 HB3 LYS 90 HB2 LYS 90 -8.552 -15.190 2.495 711 HG2 LYS 90 HG1 LYS 90 -10.320 -13.456 2.317 712 HG3 LYS 90 HG2 LYS 90 -9.070 -12.196 2.491 713 HD2 LYS 90 HD1 LYS 90 -7.991 -12.860 0.459 714 HD3 LYS 90 HD2 LYS 90 -8.993 -14.300 0.286 715 HE2 LYS 90 HE1 LYS 90 -10.047 -11.447 0.209 716 HE3 LYS 90 HE2 LYS 90 -9.584 -12.361 -1.234 717 HZ1 LYS 90 HZ1 LYS 90 -11.379 -13.966 -0.626 718 HZ2 LYS 90 HZ2 LYS 90 -11.987 -12.407 -0.711 719 HZ3 LYS 90 HZ3 LYS 90 -11.741 -13.018 0.693 720 H ARG 91 H ARG 91 -6.614 -14.057 5.989 721 HA ARG 91 HA ARG 91 -6.393 -16.730 6.972 722 HB2 ARG 91 HB1 ARG 91 -4.142 -17.228 5.994 723 HB3 ARG 91 HB2 ARG 91 -5.464 -17.336 4.824 724 HG2 ARG 91 HG1 ARG 91 -4.760 -15.440 3.663 725 HG3 ARG 91 HG2 ARG 91 -3.873 -14.763 5.050 726 HD2 ARG 91 HD1 ARG 91 -2.336 -15.529 3.329 727 HD3 ARG 91 HD2 ARG 91 -2.139 -16.427 4.849 728 HE ARG 91 HE ARG 91 -2.554 -18.345 3.704 729 HH11 ARG 91 HH12 ARG 91 -4.084 -15.791 1.782 730 HH12 ARG 91 HH11 ARG 91 -4.327 -16.834 0.425 731 HH21 ARG 91 HH22 ARG 91 -2.827 -19.618 1.889 732 HH22 ARG 91 HH21 ARG 91 -3.575 -18.961 0.467 733 HA PRO 92 HA PRO 92 -3.667 -14.414 9.794 734 HB2 PRO 92 HB1 PRO 92 -2.046 -16.406 10.749 735 HB3 PRO 92 HB2 PRO 92 -3.733 -16.171 11.304 736 HG2 PRO 92 HG1 PRO 92 -2.723 -18.091 9.186 737 HG3 PRO 92 HG2 PRO 92 -3.838 -18.437 10.556 738 HD2 PRO 92 HD1 PRO 92 -4.763 -17.933 8.038 739 HD3 PRO 92 HD2 PRO 92 -5.629 -17.329 9.482 740 H LEU 93 H LEU 93 -1.768 -13.403 9.454 741 HA LEU 93 HA LEU 93 -0.313 -13.921 6.955 742 HB2 LEU 93 HB1 LEU 93 -0.535 -11.708 8.993 743 HB3 LEU 93 HB2 LEU 93 0.827 -11.706 7.864 744 HG LEU 93 HG LEU 93 -2.071 -11.891 6.942 745 HD11 LEU 93 HD11 LEU 93 -1.743 -9.784 8.218 746 HD12 LEU 93 HD12 LEU 93 -1.972 -9.479 6.487 747 HD13 LEU 93 HD13 LEU 93 -0.343 -9.397 7.187 748 HD21 LEU 93 HD21 LEU 93 -1.111 -11.060 4.814 749 HD22 LEU 93 HD22 LEU 93 -0.362 -12.592 5.266 750 HD23 LEU 93 HD23 LEU 93 0.508 -11.062 5.526 751 H LYS 94 H LYS 94 0.764 -15.807 7.307 752 HA LYS 94 HA LYS 94 2.424 -16.398 9.574 753 HB2 LYS 94 HB1 LYS 94 1.366 -18.017 8.131 754 HB3 LYS 94 HB2 LYS 94 2.244 -17.444 6.721 755 HG2 LYS 94 HG1 LYS 94 3.548 -18.773 9.115 756 HG3 LYS 94 HG2 LYS 94 2.927 -19.640 7.680 757 HD2 LYS 94 HD1 LYS 94 4.572 -17.871 6.463 758 HD3 LYS 94 HD2 LYS 94 5.395 -18.015 8.039 759 HE2 LYS 94 HE1 LYS 94 6.417 -19.683 6.735 760 HE3 LYS 94 HE2 LYS 94 5.218 -20.565 7.696 761 HZ1 LYS 94 HZ1 LYS 94 3.733 -20.160 5.607 762 HZ2 LYS 94 HZ2 LYS 94 4.957 -21.284 5.422 763 HZ3 LYS 94 HZ3 LYS 94 5.023 -19.745 4.838 764 H ALA 95 H ALA 95 4.050 -14.979 10.128 765 HA ALA 95 HA ALA 95 5.686 -13.438 8.471 766 HB1 ALA 95 HB1 ALA 95 7.276 -13.444 10.337 767 HB2 ALA 95 HB2 ALA 95 5.612 -13.267 10.927 768 HB3 ALA 95 HB3 ALA 95 6.449 -14.838 11.064 769 H GLY 96 H GLY 96 6.866 -13.954 6.763 770 HA2 GLY 96 HA3 GLY 96 8.794 -15.092 5.837 771 HA3 GLY 96 HA2 GLY 96 8.310 -16.553 6.727 772 H GLU 97 H GLU 97 5.422 -15.381 5.329 773 HA GLU 97 HA GLU 97 5.924 -16.713 2.710 774 HB2 GLU 97 HB1 GLU 97 3.620 -14.881 3.126 775 HB3 GLU 97 HB2 GLU 97 3.789 -16.241 2.013 776 HG2 GLU 97 HG1 GLU 97 3.171 -16.347 4.956 777 HG3 GLU 97 HG2 GLU 97 2.060 -16.602 3.588 778 H GLU 98 H GLU 98 5.346 -15.306 0.816 779 HA GLU 98 HA GLU 98 5.701 -12.412 1.262 780 HB2 GLU 98 HB1 GLU 98 6.102 -13.794 -1.403 781 HB3 GLU 98 HB2 GLU 98 5.918 -12.032 -1.095 782 HG2 GLU 98 HG1 GLU 98 8.044 -12.360 0.388 783 HG3 GLU 98 HG2 GLU 98 8.291 -13.807 -0.594 784 H VAL 99 H VAL 99 3.859 -11.308 0.938 785 HA VAL 99 HA VAL 99 1.334 -12.689 0.267 786 HB VAL 99 HB VAL 99 2.127 -9.834 0.936 787 HG11 VAL 99 HG11 VAL 99 0.404 -9.401 -0.667 788 HG12 VAL 99 HG12 VAL 99 -0.579 -10.775 -0.064 789 HG13 VAL 99 HG13 VAL 99 -0.382 -9.304 0.902 790 HG21 VAL 99 HG21 VAL 99 0.636 -12.079 2.308 791 HG22 VAL 99 HG22 VAL 99 2.023 -11.118 2.845 792 HG23 VAL 99 HG23 VAL 99 0.411 -10.405 2.822 793 H GLU 100 H GLU 100 0.733 -13.001 -1.756 794 HA GLU 100 HA GLU 100 1.737 -11.580 -4.068 795 HB2 GLU 100 HB1 GLU 100 -0.910 -12.968 -3.611 796 HB3 GLU 100 HB2 GLU 100 -0.323 -12.382 -5.175 797 HG2 GLU 100 HG1 GLU 100 1.469 -14.049 -5.156 798 HG3 GLU 100 HG2 GLU 100 1.015 -14.558 -3.512 799 H LEU 101 H LEU 101 1.116 -9.694 -4.920 800 HA LEU 101 HA LEU 101 -1.351 -8.406 -4.076 801 HB2 LEU 101 HB1 LEU 101 1.218 -7.752 -2.968 802 HB3 LEU 101 HB2 LEU 101 0.568 -6.354 -3.841 803 HG LEU 101 HG LEU 101 -1.090 -7.852 -1.823 804 HD11 LEU 101 HD11 LEU 101 0.958 -7.049 -0.768 805 HD12 LEU 101 HD12 LEU 101 -0.457 -6.107 -0.243 806 HD13 LEU 101 HD13 LEU 101 0.681 -5.423 -1.458 807 HD21 LEU 101 HD21 LEU 101 -1.225 -4.954 -2.797 808 HD22 LEU 101 HD22 LEU 101 -2.403 -5.791 -1.767 809 HD23 LEU 101 HD23 LEU 101 -2.226 -6.245 -3.470 810 H ASP 102 H ASP 102 -2.331 -7.629 -5.559 811 HA ASP 102 HA ASP 102 -1.276 -7.435 -8.273 812 HB2 ASP 102 HB1 ASP 102 -4.015 -7.727 -7.017 813 HB3 ASP 102 HB2 ASP 102 -3.757 -7.548 -8.759 814 H LEU 103 H LEU 103 -0.372 -5.305 -8.105 815 HA LEU 103 HA LEU 103 -1.741 -3.004 -7.155 816 HB2 LEU 103 HB1 LEU 103 0.559 -3.313 -9.115 817 HB3 LEU 103 HB2 LEU 103 0.109 -1.799 -8.323 818 HG LEU 103 HG LEU 103 1.199 -4.304 -6.953 819 HD11 LEU 103 HD11 LEU 103 2.859 -3.178 -8.361 820 HD12 LEU 103 HD12 LEU 103 3.235 -2.919 -6.650 821 HD13 LEU 103 HD13 LEU 103 2.487 -1.620 -7.608 822 HD21 LEU 103 HD21 LEU 103 1.463 -2.823 -4.962 823 HD22 LEU 103 HD22 LEU 103 -0.226 -3.096 -5.389 824 HD23 LEU 103 HD23 LEU 103 0.553 -1.550 -5.804 825 H LEU 104 H LEU 104 -3.369 -1.893 -8.017 826 HA LEU 104 HA LEU 104 -4.235 -2.407 -10.808 827 HB2 LEU 104 HB1 LEU 104 -5.701 -0.898 -8.632 828 HB3 LEU 104 HB2 LEU 104 -6.377 -1.593 -10.109 829 HG LEU 104 HG LEU 104 -5.391 -3.053 -7.674 830 HD11 LEU 104 HD11 LEU 104 -8.197 -2.743 -8.791 831 HD12 LEU 104 HD12 LEU 104 -7.536 -1.922 -7.360 832 HD13 LEU 104 HD13 LEU 104 -7.740 -3.682 -7.351 833 HD21 LEU 104 HD21 LEU 104 -4.954 -4.438 -9.705 834 HD22 LEU 104 HD22 LEU 104 -6.647 -4.223 -10.206 835 HD23 LEU 104 HD23 LEU 104 -6.253 -5.138 -8.732 836 H PHE 105 H PHE 105 -4.096 -0.872 -12.364 837 HA PHE 105 HA PHE 105 -3.549 1.976 -11.548 838 HB2 PHE 105 HB1 PHE 105 -2.206 0.313 -13.663 839 HB3 PHE 105 HB2 PHE 105 -1.937 2.017 -13.500 840 HD1 PHE 105 HD1 PHE 105 -1.351 -1.353 -12.016 841 HD2 PHE 105 HD2 PHE 105 -0.435 2.841 -11.700 842 HE1 PHE 105 HE1 PHE 105 0.633 -1.937 -10.847 843 HE2 PHE 105 HE2 PHE 105 1.579 2.268 -10.394 844 HZ PHE 105 HZ PHE 105 2.169 -0.111 -9.948 845 H ALA 106 H ALA 106 -4.672 3.470 -12.579 846 HA ALA 106 HA ALA 106 -6.563 4.282 -13.600 847 HB1 ALA 106 HB1 ALA 106 -5.027 3.225 -16.008 848 HB2 ALA 106 HB2 ALA 106 -6.207 4.549 -16.008 849 HB3 ALA 106 HB3 ALA 106 -4.680 4.740 -15.129 850 H GLY 107 H GLY 107 -7.131 1.728 -12.563 851 HA2 GLY 107 HA3 GLY 107 -8.874 0.190 -12.588 852 HA3 GLY 107 HA2 GLY 107 -9.352 0.746 -14.208 853 H GLY 108 H GLY 108 -7.827 0.211 -15.984 854 HA2 GLY 108 HA3 GLY 108 -8.031 -2.585 -16.143 855 HA3 GLY 108 HA2 GLY 108 -7.342 -1.525 -17.394 856 H LYS 109 H LYS 109 -4.981 -0.703 -15.651 857 HA LYS 109 HA LYS 109 -3.441 -3.131 -16.298 858 HB2 LYS 109 HB1 LYS 109 -2.735 -0.476 -16.381 859 HB3 LYS 109 HB2 LYS 109 -1.848 -1.075 -14.965 860 HG2 LYS 109 HG1 LYS 109 -1.733 -2.359 -17.646 861 HG3 LYS 109 HG2 LYS 109 -0.553 -1.217 -16.939 862 HD2 LYS 109 HD1 LYS 109 -1.219 -3.952 -15.784 863 HD3 LYS 109 HD2 LYS 109 0.159 -3.578 -16.882 864 HE2 LYS 109 HE1 LYS 109 1.298 -3.399 -14.955 865 HE3 LYS 109 HE2 LYS 109 0.654 -1.753 -14.991 866 HZ1 LYS 109 HZ1 LYS 109 -1.134 -2.559 -13.493 867 HZ2 LYS 109 HZ2 LYS 109 0.341 -2.778 -12.834 868 HZ3 LYS 109 HZ3 LYS 109 -0.463 -4.055 -13.472 869 H VAL 110 H VAL 110 -4.142 -4.595 -14.897 870 HA VAL 110 HA VAL 110 -3.449 -4.332 -12.010 871 HB VAL 110 HB VAL 110 -5.480 -5.320 -12.049 872 HG11 VAL 110 HG11 VAL 110 -5.878 -5.606 -14.344 873 HG12 VAL 110 HG12 VAL 110 -4.689 -6.932 -14.479 874 HG13 VAL 110 HG13 VAL 110 -6.203 -7.158 -13.561 875 HG21 VAL 110 HG21 VAL 110 -3.840 -6.666 -10.756 876 HG22 VAL 110 HG22 VAL 110 -5.269 -7.579 -11.276 877 HG23 VAL 110 HG23 VAL 110 -3.724 -7.799 -12.124 878 H LEU 111 H LEU 111 -1.620 -5.081 -11.210 879 HA LEU 111 HA LEU 111 0.262 -6.638 -12.946 880 HB2 LEU 111 HB1 LEU 111 0.543 -4.378 -11.221 881 HB3 LEU 111 HB2 LEU 111 1.348 -5.707 -10.383 882 HG LEU 111 HG LEU 111 1.927 -4.804 -13.233 883 HD11 LEU 111 HD11 LEU 111 4.007 -3.859 -12.286 884 HD12 LEU 111 HD12 LEU 111 3.475 -4.315 -10.655 885 HD13 LEU 111 HD13 LEU 111 2.572 -3.100 -11.585 886 HD21 LEU 111 HD21 LEU 111 3.420 -6.790 -11.465 887 HD22 LEU 111 HD22 LEU 111 3.973 -6.194 -13.040 888 HD23 LEU 111 HD23 LEU 111 2.511 -7.177 -12.947 889 H LYS 112 H LYS 112 1.722 -8.178 -11.506 890 HA LYS 112 HA LYS 112 0.439 -8.979 -8.990 891 HB2 LYS 112 HB1 LYS 112 1.436 -10.850 -11.172 892 HB3 LYS 112 HB2 LYS 112 1.358 -11.281 -9.448 893 HG2 LYS 112 HG1 LYS 112 -1.140 -10.523 -9.634 894 HG3 LYS 112 HG2 LYS 112 -0.892 -10.675 -11.388 895 HD2 LYS 112 HD1 LYS 112 -1.907 -12.700 -10.563 896 HD3 LYS 112 HD2 LYS 112 -0.230 -13.056 -11.039 897 HE2 LYS 112 HE1 LYS 112 -0.661 -14.235 -9.017 898 HE3 LYS 112 HE2 LYS 112 0.409 -12.906 -8.586 899 HZ1 LYS 112 HZ1 LYS 112 -1.403 -13.281 -7.046 900 HZ2 LYS 112 HZ2 LYS 112 -2.524 -12.924 -8.181 901 HZ3 LYS 112 HZ3 LYS 112 -1.517 -11.735 -7.668 902 H VAL 113 H VAL 113 1.874 -8.399 -7.506 903 HA VAL 113 HA VAL 113 4.777 -8.956 -7.944 904 HB VAL 113 HB VAL 113 3.852 -6.758 -6.086 905 HG11 VAL 113 HG11 VAL 113 6.162 -5.882 -6.550 906 HG12 VAL 113 HG12 VAL 113 6.182 -7.478 -5.821 907 HG13 VAL 113 HG13 VAL 113 6.466 -7.309 -7.564 908 HG21 VAL 113 HG21 VAL 113 2.949 -5.991 -8.234 909 HG22 VAL 113 HG22 VAL 113 4.403 -5.067 -7.860 910 HG23 VAL 113 HG23 VAL 113 4.482 -6.379 -9.052 911 H VAL 114 H VAL 114 5.822 -9.344 -5.719 912 HA VAL 114 HA VAL 114 4.008 -10.471 -3.725 913 HB VAL 114 HB VAL 114 5.847 -12.044 -3.222 914 HG11 VAL 114 HG11 VAL 114 3.724 -12.810 -4.207 915 HG12 VAL 114 HG12 VAL 114 4.336 -12.436 -5.835 916 HG13 VAL 114 HG13 VAL 114 5.084 -13.727 -4.873 917 HG21 VAL 114 HG21 VAL 114 6.683 -11.365 -6.027 918 HG22 VAL 114 HG22 VAL 114 7.535 -10.953 -4.520 919 HG23 VAL 114 HG23 VAL 114 7.369 -12.654 -5.004 920 H LEU 115 H LEU 115 4.579 -9.935 -1.561 921 HA LEU 115 HA LEU 115 7.193 -8.628 -1.057 922 HB2 LEU 115 HB1 LEU 115 4.482 -7.405 -0.456 923 HB3 LEU 115 HB2 LEU 115 5.965 -6.907 0.393 924 HG LEU 115 HG LEU 115 5.510 -6.679 -2.616 925 HD11 LEU 115 HD11 LEU 115 5.381 -4.639 -0.375 926 HD12 LEU 115 HD12 LEU 115 4.029 -5.211 -1.377 927 HD13 LEU 115 HD13 LEU 115 5.340 -4.272 -2.118 928 HD21 LEU 115 HD21 LEU 115 7.523 -5.196 -2.528 929 HD22 LEU 115 HD22 LEU 115 7.933 -6.852 -2.082 930 HD23 LEU 115 HD23 LEU 115 7.750 -5.618 -0.821 931 HA PRO 116 HA PRO 116 7.204 -11.403 2.265 932 HB2 PRO 116 HB1 PRO 116 8.817 -10.163 4.137 933 HB3 PRO 116 HB2 PRO 116 9.378 -10.999 2.657 934 HG2 PRO 116 HG1 PRO 116 8.852 -8.039 3.037 935 HG3 PRO 116 HG2 PRO 116 10.290 -8.824 2.288 936 HD2 PRO 116 HD1 PRO 116 8.319 -7.849 0.732 937 HD3 PRO 116 HD2 PRO 116 9.030 -9.443 0.352 938 H VAL 117 H VAL 117 6.135 -12.022 4.062 939 HA VAL 117 HA VAL 117 4.326 -10.173 5.435 940 HB VAL 117 HB VAL 117 5.053 -13.091 5.977 941 HG11 VAL 117 HG11 VAL 117 2.902 -12.980 7.294 942 HG12 VAL 117 HG12 VAL 117 4.190 -11.988 7.989 943 HG13 VAL 117 HG13 VAL 117 2.899 -11.218 7.053 944 HG21 VAL 117 HG21 VAL 117 3.811 -12.695 3.783 945 HG22 VAL 117 HG22 VAL 117 2.904 -13.649 4.975 946 HG23 VAL 117 HG23 VAL 117 2.520 -11.941 4.743 947 H GLU 118 H GLU 118 4.894 -9.038 7.223 948 HA GLU 118 HA GLU 118 7.199 -9.778 8.893 949 HB2 GLU 118 HB1 GLU 118 7.626 -8.380 6.602 950 HB3 GLU 118 HB2 GLU 118 7.300 -7.037 7.691 951 HG2 GLU 118 HG1 GLU 118 9.192 -9.074 8.757 952 HG3 GLU 118 HG2 GLU 118 9.745 -8.232 7.281 953 H ALA 119 H ALA 119 7.513 -7.913 10.647 954 HA ALA 119 HA ALA 119 4.781 -8.075 11.862 955 HB1 ALA 119 HB1 ALA 119 6.026 -8.530 13.942 956 HB2 ALA 119 HB2 ALA 119 6.539 -9.647 12.662 957 HB3 ALA 119 HB3 ALA 119 7.564 -8.260 13.098 958 H ARG 120 H ARG 120 6.490 -5.720 10.618 959 HA ARG 120 HA ARG 120 6.495 -3.703 12.761 960 HB2 ARG 120 HB1 ARG 120 7.218 -3.760 9.813 961 HB3 ARG 120 HB2 ARG 120 7.208 -2.242 10.736 962 HG2 ARG 120 HG1 ARG 120 8.925 -3.051 12.223 963 HG3 ARG 120 HG2 ARG 120 8.850 -4.688 11.544 964 HD2 ARG 120 HD1 ARG 120 9.768 -3.967 9.447 965 HD3 ARG 120 HD2 ARG 120 9.549 -2.247 9.877 966 HE ARG 120 HE ARG 120 11.266 -2.536 11.579 967 HH11 ARG 120 HH12 ARG 120 11.266 -5.138 9.200 968 HH12 ARG 120 HH11 ARG 120 12.943 -5.460 9.423 969 HH21 ARG 120 HH22 ARG 120 13.413 -3.015 11.805 970 HH22 ARG 120 HH21 ARG 120 14.134 -4.271 10.833 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 13.680 4.172 -1.653 2 H2 GLY 1 2H GLY 1 12.502 3.567 -0.694 3 H3 GLY 1 3H GLY 1 13.853 2.679 -0.982 4 HA2 GLY 1 HA3 GLY 1 13.835 5.253 0.464 5 HA3 GLY 1 HA2 GLY 1 13.899 3.656 1.244 6 H SER 2 H SER 2 15.956 2.860 1.643 7 HA SER 2 HA SER 2 18.137 3.148 -0.298 8 HB2 SER 2 HB1 SER 2 17.355 0.849 1.545 9 HB3 SER 2 HB2 SER 2 18.882 0.999 0.645 10 HG SER 2 HG SER 2 19.076 1.695 2.824 11 H PHE 3 H PHE 3 18.599 0.951 -1.608 12 HA PHE 3 HA PHE 3 16.270 0.252 -3.240 13 HB2 PHE 3 HB1 PHE 3 19.110 -0.803 -3.123 14 HB3 PHE 3 HB2 PHE 3 17.875 -1.368 -4.265 15 HD1 PHE 3 HD1 PHE 3 16.851 0.294 -5.897 16 HD2 PHE 3 HD2 PHE 3 20.407 1.147 -3.606 17 HE1 PHE 3 HE1 PHE 3 17.434 2.124 -7.474 18 HE2 PHE 3 HE2 PHE 3 20.981 2.974 -5.184 19 HZ PHE 3 HZ PHE 3 19.495 3.467 -7.114 20 H THR 4 H THR 4 14.728 -0.746 -2.111 21 HA THR 4 HA THR 4 15.189 -3.488 -1.103 22 HB THR 4 HB THR 4 13.680 -3.067 0.823 23 HG1 THR 4 HG1 THR 4 12.616 -1.279 0.245 24 HG21 THR 4 HG21 THR 4 15.239 -1.990 2.297 25 HG22 THR 4 HG22 THR 4 16.090 -1.208 0.946 26 HG23 THR 4 HG23 THR 4 16.154 -2.976 1.145 27 H GLU 5 H GLU 5 13.103 -4.559 -0.796 28 HA GLU 5 HA GLU 5 11.056 -3.879 -2.806 29 HB2 GLU 5 HB1 GLU 5 10.240 -6.075 -2.448 30 HB3 GLU 5 HB2 GLU 5 11.979 -6.172 -2.701 31 HG2 GLU 5 HG1 GLU 5 10.872 -6.076 0.110 32 HG3 GLU 5 HG2 GLU 5 10.745 -7.553 -0.866 33 H GLY 6 H GLY 6 9.005 -5.280 -1.270 34 HA2 GLY 6 HA3 GLY 6 8.119 -3.221 0.678 35 HA3 GLY 6 HA2 GLY 6 7.061 -3.795 -0.631 36 H TRP 7 H TRP 7 6.572 -4.049 2.291 37 HA TRP 7 HA TRP 7 6.414 -7.013 2.454 38 HB2 TRP 7 HB1 TRP 7 6.997 -6.964 4.789 39 HB3 TRP 7 HB2 TRP 7 8.315 -6.296 3.854 40 HD1 TRP 7 HD TRP 7 6.202 -5.719 6.785 41 HE1 TRP 7 HE1 TRP 7 6.590 -3.464 7.861 42 HE3 TRP 7 3HE TRP 7 8.899 -3.518 3.026 43 HZ2 TRP 7 HZ2 TRP 7 7.616 -0.862 7.035 44 HZ3 TRP 7 HZ3 TRP 7 9.516 -1.131 3.172 45 HH2 TRP 7 HH TRP 7 8.867 0.221 5.154 46 H VAL 8 H VAL 8 4.507 -7.848 3.068 47 HA VAL 8 HA VAL 8 2.333 -5.935 3.797 48 HB VAL 8 HB VAL 8 2.154 -8.884 3.108 49 HG11 VAL 8 HG11 VAL 8 0.324 -8.333 4.620 50 HG12 VAL 8 HG12 VAL 8 0.036 -6.790 3.794 51 HG13 VAL 8 HG13 VAL 8 -0.346 -8.319 2.984 52 HG21 VAL 8 HG21 VAL 8 0.968 -7.914 1.062 53 HG22 VAL 8 HG22 VAL 8 1.535 -6.318 1.567 54 HG23 VAL 8 HG23 VAL 8 2.705 -7.579 1.131 55 H ARG 9 H ARG 9 1.696 -5.594 5.795 56 HA ARG 9 HA ARG 9 3.130 -6.684 7.987 57 HB2 ARG 9 HB1 ARG 9 2.146 -4.384 7.777 58 HB3 ARG 9 HB2 ARG 9 0.546 -5.088 8.080 59 HG2 ARG 9 HG1 ARG 9 1.468 -5.993 10.266 60 HG3 ARG 9 HG2 ARG 9 2.952 -5.066 9.955 61 HD2 ARG 9 HD1 ARG 9 1.456 -2.992 9.773 62 HD3 ARG 9 HD2 ARG 9 0.124 -4.012 10.369 63 HE ARG 9 HE ARG 9 2.304 -4.329 12.154 64 HH11 ARG 9 HH12 ARG 9 0.041 -1.745 11.351 65 HH12 ARG 9 HH11 ARG 9 0.148 -1.066 12.957 66 HH21 ARG 9 HH22 ARG 9 2.610 -3.276 13.997 67 HH22 ARG 9 HH21 ARG 9 1.513 -2.027 14.517 68 H PHE 10 H PHE 10 2.915 -8.644 8.757 69 HA PHE 10 HA PHE 10 0.262 -9.641 9.655 70 HB2 PHE 10 HB1 PHE 10 1.772 -11.422 9.068 71 HB3 PHE 10 HB2 PHE 10 3.087 -10.698 10.011 72 HD1 PHE 10 HD1 PHE 10 -0.540 -11.622 10.692 73 HD2 PHE 10 HD2 PHE 10 3.559 -11.809 12.006 74 HE1 PHE 10 HE1 PHE 10 -1.258 -12.722 12.782 75 HE2 PHE 10 HE2 PHE 10 2.833 -12.921 14.094 76 HZ PHE 10 HZ PHE 10 0.428 -13.391 14.487 77 H SER 11 H SER 11 -0.380 -9.480 11.710 78 HA SER 11 HA SER 11 1.026 -8.824 14.026 79 HB2 SER 11 HB1 SER 11 0.518 -6.520 12.485 80 HB3 SER 11 HB2 SER 11 -0.752 -6.525 13.721 81 HG SER 11 HG SER 11 2.006 -6.140 13.950 82 HA PRO 12 HA PRO 12 -2.622 -10.764 15.351 83 HB2 PRO 12 HB1 PRO 12 -3.109 -10.048 17.916 84 HB3 PRO 12 HB2 PRO 12 -1.539 -10.749 17.409 85 HG2 PRO 12 HG1 PRO 12 -2.227 -7.807 17.715 86 HG3 PRO 12 HG2 PRO 12 -0.843 -8.694 18.446 87 HD2 PRO 12 HD1 PRO 12 -0.605 -7.298 16.104 88 HD3 PRO 12 HD2 PRO 12 0.273 -8.828 16.372 89 H GLY 13 H GLY 13 -3.468 -8.575 13.674 90 HA2 GLY 13 HA3 GLY 13 -5.876 -7.449 15.035 91 HA3 GLY 13 HA2 GLY 13 -4.954 -6.640 13.747 92 HA PRO 14 HA PRO 14 -8.456 -9.155 11.711 93 HB2 PRO 14 HB1 PRO 14 -10.713 -7.702 12.036 94 HB3 PRO 14 HB2 PRO 14 -10.192 -8.884 13.275 95 HG2 PRO 14 HG1 PRO 14 -9.722 -5.887 13.255 96 HG3 PRO 14 HG2 PRO 14 -10.378 -6.893 14.595 97 HD2 PRO 14 HD1 PRO 14 -7.725 -6.178 14.416 98 HD3 PRO 14 HD2 PRO 14 -8.248 -7.737 15.117 99 H ASN 15 H ASN 15 -7.343 -5.866 11.998 100 HA ASN 15 HA ASN 15 -7.478 -5.531 9.076 101 HB2 ASN 15 HB1 ASN 15 -8.084 -3.225 9.296 102 HB3 ASN 15 HB2 ASN 15 -9.270 -4.163 10.213 103 HD21 ASN 15 HD21 ASN 15 -7.639 -1.308 10.318 104 HD22 ASN 15 HD22 ASN 15 -7.517 -1.167 12.071 105 H ALA 16 H ALA 16 -5.820 -4.073 8.244 106 HA ALA 16 HA ALA 16 -3.544 -3.314 9.889 107 HB1 ALA 16 HB1 ALA 16 -3.153 -5.753 9.750 108 HB2 ALA 16 HB2 ALA 16 -3.260 -5.682 7.980 109 HB3 ALA 16 HB3 ALA 16 -1.919 -4.890 8.827 110 H ALA 17 H ALA 17 -1.681 -2.563 8.505 111 HA ALA 17 HA ALA 17 -2.526 -1.303 5.927 112 HB1 ALA 17 HB1 ALA 17 -1.693 0.312 7.606 113 HB2 ALA 17 HB2 ALA 17 -0.248 -0.686 7.881 114 HB3 ALA 17 HB3 ALA 17 -0.488 0.106 6.323 115 H ALA 18 H ALA 18 -1.881 -2.396 4.168 116 HA ALA 18 HA ALA 18 0.535 -4.137 4.267 117 HB1 ALA 18 HB1 ALA 18 -0.148 -4.722 1.944 118 HB2 ALA 18 HB2 ALA 18 -1.398 -5.075 3.157 119 HB3 ALA 18 HB3 ALA 18 -1.554 -3.661 2.106 120 H TYR 19 H TYR 19 2.448 -3.305 3.867 121 HA TYR 19 HA TYR 19 2.739 -0.704 2.456 122 HB2 TYR 19 HB1 TYR 19 4.961 -2.278 3.743 123 HB3 TYR 19 HB2 TYR 19 4.853 -0.541 3.528 124 HD1 TYR 19 HD2 TYR 19 2.820 0.592 4.979 125 HD2 TYR 19 HD1 TYR 19 4.653 -3.208 5.787 126 HE1 TYR 19 HE2 TYR 19 2.150 0.759 7.384 127 HE2 TYR 19 HE1 TYR 19 4.129 -3.017 8.170 128 HH TYR 19 HH TYR 19 3.289 -1.600 9.826 129 H LEU 20 H LEU 20 3.946 -0.618 0.478 130 HA LEU 20 HA LEU 20 5.407 -2.924 -0.344 131 HB2 LEU 20 HB1 LEU 20 4.131 -3.472 -2.410 132 HB3 LEU 20 HB2 LEU 20 3.463 -4.000 -0.851 133 HG LEU 20 HG LEU 20 1.965 -1.828 -1.092 134 HD11 LEU 20 HD11 LEU 20 3.163 -0.896 -3.078 135 HD12 LEU 20 HD12 LEU 20 1.467 -1.226 -3.430 136 HD13 LEU 20 HD13 LEU 20 2.724 -2.338 -4.008 137 HD21 LEU 20 HD21 LEU 20 1.127 -4.127 -1.106 138 HD22 LEU 20 HD22 LEU 20 1.557 -4.300 -2.827 139 HD23 LEU 20 HD23 LEU 20 0.292 -3.157 -2.323 140 H THR 21 H THR 21 6.431 -2.855 -2.380 141 HA THR 21 HA THR 21 7.262 -0.059 -2.952 142 HB THR 21 HB THR 21 8.869 -2.655 -2.829 143 HG1 THR 21 HG1 THR 21 9.532 -1.662 -0.984 144 HG21 THR 21 HG21 THR 21 9.555 0.206 -3.727 145 HG22 THR 21 HG22 THR 21 9.827 -1.305 -4.617 146 HG23 THR 21 HG23 THR 21 10.766 -0.945 -3.147 147 H LEU 22 H LEU 22 6.464 0.599 -4.723 148 HA LEU 22 HA LEU 22 5.859 -1.270 -6.963 149 HB2 LEU 22 HB1 LEU 22 4.173 0.251 -5.684 150 HB3 LEU 22 HB2 LEU 22 4.843 1.564 -6.641 151 HG LEU 22 HG LEU 22 3.621 -1.013 -7.772 152 HD11 LEU 22 HD11 LEU 22 2.465 1.765 -7.401 153 HD12 LEU 22 HD12 LEU 22 2.073 0.311 -6.437 154 HD13 LEU 22 HD13 LEU 22 1.642 0.370 -8.150 155 HD21 LEU 22 HD21 LEU 22 4.827 -0.179 -9.613 156 HD22 LEU 22 HD22 LEU 22 4.585 1.525 -9.142 157 HD23 LEU 22 HD23 LEU 22 3.263 0.564 -9.831 158 H GLU 23 H GLU 23 6.581 -0.770 -9.064 159 HA GLU 23 HA GLU 23 8.182 1.613 -9.478 160 HB2 GLU 23 HB1 GLU 23 10.198 0.592 -10.133 161 HB3 GLU 23 HB2 GLU 23 9.777 -0.038 -8.518 162 HG2 GLU 23 HG1 GLU 23 8.918 -2.119 -9.634 163 HG3 GLU 23 HG2 GLU 23 9.572 -1.507 -11.169 164 H ASN 24 H ASN 24 8.282 2.323 -11.454 165 HA ASN 24 HA ASN 24 6.625 0.899 -13.474 166 HB2 ASN 24 HB1 ASN 24 5.951 3.131 -12.698 167 HB3 ASN 24 HB2 ASN 24 7.489 3.798 -13.246 168 HD21 ASN 24 HD21 ASN 24 5.788 5.142 -14.405 169 HD22 ASN 24 HD22 ASN 24 5.344 4.569 -16.019 170 HA PRO 25 HA PRO 25 10.722 0.494 -15.477 171 HB2 PRO 25 HB1 PRO 25 10.254 -1.735 -16.969 172 HB3 PRO 25 HB2 PRO 25 10.508 -1.824 -15.198 173 HG2 PRO 25 HG1 PRO 25 7.864 -1.736 -16.688 174 HG3 PRO 25 HG2 PRO 25 8.374 -2.912 -15.427 175 HD2 PRO 25 HD1 PRO 25 6.865 -0.707 -14.840 176 HD3 PRO 25 HD2 PRO 25 8.118 -1.309 -13.716 177 H GLY 26 H GLY 26 7.581 1.225 -16.767 178 HA2 GLY 26 HA3 GLY 26 8.370 1.289 -19.574 179 HA3 GLY 26 HA2 GLY 26 6.820 1.789 -18.861 180 H ASP 27 H ASP 27 7.868 3.251 -20.813 181 HA ASP 27 HA ASP 27 9.262 5.618 -19.770 182 HB2 ASP 27 HB1 ASP 27 8.328 4.800 -22.544 183 HB3 ASP 27 HB2 ASP 27 9.324 6.224 -22.168 184 H LEU 28 H LEU 28 6.106 4.683 -19.785 185 HA LEU 28 HA LEU 28 5.024 7.456 -19.922 186 HB2 LEU 28 HB1 LEU 28 3.382 4.948 -20.192 187 HB3 LEU 28 HB2 LEU 28 2.911 6.631 -20.544 188 HG LEU 28 HG LEU 28 2.974 5.572 -22.553 189 HD11 LEU 28 HD11 LEU 28 4.629 6.717 -23.884 190 HD12 LEU 28 HD12 LEU 28 5.657 6.986 -22.471 191 HD13 LEU 28 HD13 LEU 28 4.071 7.780 -22.579 192 HD21 LEU 28 HD21 LEU 28 4.284 3.537 -21.857 193 HD22 LEU 28 HD22 LEU 28 5.771 4.442 -22.203 194 HD23 LEU 28 HD23 LEU 28 4.610 4.135 -23.495 195 HA PRO 29 HA PRO 29 4.451 6.891 -15.633 196 HB2 PRO 29 HB1 PRO 29 2.411 8.541 -14.923 197 HB3 PRO 29 HB2 PRO 29 3.945 9.139 -15.621 198 HG2 PRO 29 HG1 PRO 29 1.309 8.695 -17.012 199 HG3 PRO 29 HG2 PRO 29 2.447 10.076 -17.189 200 HD2 PRO 29 HD1 PRO 29 2.290 7.881 -18.908 201 HD3 PRO 29 HD2 PRO 29 3.756 8.855 -18.729 202 H LEU 30 H LEU 30 3.073 6.045 -13.826 203 HA LEU 30 HA LEU 30 0.752 4.354 -14.673 204 HB2 LEU 30 HB1 LEU 30 2.534 4.035 -12.265 205 HB3 LEU 30 HB2 LEU 30 1.096 3.068 -12.634 206 HG LEU 30 HG LEU 30 3.655 3.218 -14.149 207 HD11 LEU 30 HD11 LEU 30 3.640 1.866 -12.066 208 HD12 LEU 30 HD12 LEU 30 3.879 0.841 -13.501 209 HD13 LEU 30 HD13 LEU 30 2.275 0.930 -12.732 210 HD21 LEU 30 HD21 LEU 30 1.987 2.915 -15.868 211 HD22 LEU 30 HD22 LEU 30 1.220 1.599 -14.929 212 HD23 LEU 30 HD23 LEU 30 2.858 1.406 -15.617 213 H ARG 31 H ARG 31 -0.953 4.355 -13.303 214 HA ARG 31 HA ARG 31 -1.157 6.314 -11.067 215 HB2 ARG 31 HB1 ARG 31 -2.131 7.499 -12.943 216 HB3 ARG 31 HB2 ARG 31 -3.180 6.109 -13.305 217 HG2 ARG 31 HG1 ARG 31 -4.726 6.823 -11.858 218 HG3 ARG 31 HG2 ARG 31 -3.555 6.965 -10.538 219 HD2 ARG 31 HD1 ARG 31 -4.689 9.083 -10.947 220 HD3 ARG 31 HD2 ARG 31 -2.955 9.208 -11.238 221 HE ARG 31 HE ARG 31 -4.897 8.784 -13.467 222 HH11 ARG 31 HH12 ARG 31 -2.447 11.003 -12.017 223 HH12 ARG 31 HH11 ARG 31 -2.211 11.802 -13.486 224 HH21 ARG 31 HH22 ARG 31 -4.570 9.979 -15.325 225 HH22 ARG 31 HH21 ARG 31 -3.534 11.380 -15.267 226 H LEU 32 H LEU 32 -1.595 5.116 -9.353 227 HA LEU 32 HA LEU 32 -2.711 2.366 -9.585 228 HB2 LEU 32 HB1 LEU 32 -0.552 2.646 -8.476 229 HB3 LEU 32 HB2 LEU 32 -1.227 3.916 -7.426 230 HG LEU 32 HG LEU 32 -2.771 2.106 -6.462 231 HD11 LEU 32 HD11 LEU 32 -0.750 0.238 -7.783 232 HD12 LEU 32 HD12 LEU 32 -2.422 0.428 -8.319 233 HD13 LEU 32 HD13 LEU 32 -2.090 -0.220 -6.711 234 HD21 LEU 32 HD21 LEU 32 0.241 1.822 -6.101 235 HD22 LEU 32 HD22 LEU 32 -1.000 1.265 -4.961 236 HD23 LEU 32 HD23 LEU 32 -0.793 2.998 -5.286 237 H VAL 33 H VAL 33 -4.782 2.010 -8.980 238 HA VAL 33 HA VAL 33 -6.261 4.200 -7.550 239 HB VAL 33 HB VAL 33 -8.201 3.775 -8.946 240 HG11 VAL 33 HG11 VAL 33 -5.761 4.236 -10.709 241 HG12 VAL 33 HG12 VAL 33 -7.431 4.785 -10.988 242 HG13 VAL 33 HG13 VAL 33 -6.490 5.453 -9.657 243 HG21 VAL 33 HG21 VAL 33 -7.822 1.365 -9.509 244 HG22 VAL 33 HG22 VAL 33 -8.147 2.363 -10.935 245 HG23 VAL 33 HG23 VAL 33 -6.493 1.852 -10.580 246 H GLY 34 H GLY 34 -5.389 0.921 -7.217 247 HA2 GLY 34 HA3 GLY 34 -6.749 0.593 -4.809 248 HA3 GLY 34 HA2 GLY 34 -7.777 -0.140 -6.062 249 H ALA 35 H ALA 35 -7.329 -2.135 -4.755 250 HA ALA 35 HA ALA 35 -5.212 -3.608 -6.037 251 HB1 ALA 35 HB1 ALA 35 -5.158 -2.901 -3.077 252 HB2 ALA 35 HB2 ALA 35 -4.449 -4.413 -3.604 253 HB3 ALA 35 HB3 ALA 35 -3.829 -2.882 -4.253 254 H ARG 36 H ARG 36 -5.281 -6.083 -5.193 255 HA ARG 36 HA ARG 36 -7.284 -6.816 -3.341 256 HB2 ARG 36 HB1 ARG 36 -8.673 -8.336 -4.840 257 HB3 ARG 36 HB2 ARG 36 -9.076 -6.606 -4.742 258 HG2 ARG 36 HG1 ARG 36 -9.069 -6.495 -6.930 259 HG3 ARG 36 HG2 ARG 36 -7.366 -6.871 -7.005 260 HD2 ARG 36 HD1 ARG 36 -9.613 -8.927 -6.940 261 HD3 ARG 36 HD2 ARG 36 -8.814 -8.324 -8.417 262 HE ARG 36 HE ARG 36 -6.700 -9.289 -7.013 263 HH11 ARG 36 HH12 ARG 36 -9.759 -10.773 -7.935 264 HH12 ARG 36 HH11 ARG 36 -9.023 -12.330 -8.209 265 HH21 ARG 36 HH22 ARG 36 -5.823 -11.255 -7.535 266 HH22 ARG 36 HH21 ARG 36 -6.835 -12.627 -7.868 267 H THR 37 H THR 37 -6.944 -8.757 -2.462 268 HA THR 37 HA THR 37 -4.838 -10.527 -3.635 269 HB THR 37 HB THR 37 -3.717 -9.164 -2.046 270 HG1 THR 37 HG1 THR 37 -3.062 -11.136 -1.782 271 HG21 THR 37 HG21 THR 37 -4.371 -9.005 0.334 272 HG22 THR 37 HG22 THR 37 -5.914 -9.793 -0.046 273 HG23 THR 37 HG23 THR 37 -5.531 -8.197 -0.721 274 HA PRO 38 HA PRO 38 -7.657 -13.817 -2.030 275 HB2 PRO 38 HB1 PRO 38 -5.863 -15.781 -1.314 276 HB3 PRO 38 HB2 PRO 38 -6.363 -15.413 -2.993 277 HG2 PRO 38 HG1 PRO 38 -3.886 -14.430 -1.577 278 HG3 PRO 38 HG2 PRO 38 -3.998 -15.233 -3.186 279 HD2 PRO 38 HD1 PRO 38 -3.921 -12.541 -3.017 280 HD3 PRO 38 HD2 PRO 38 -5.051 -13.336 -4.149 281 H VAL 39 H VAL 39 -4.967 -12.518 -0.144 282 HA VAL 39 HA VAL 39 -5.904 -13.872 2.293 283 HB VAL 39 HB VAL 39 -3.974 -13.261 3.390 284 HG11 VAL 39 HG11 VAL 39 -2.148 -13.855 1.924 285 HG12 VAL 39 HG12 VAL 39 -3.582 -14.786 1.459 286 HG13 VAL 39 HG13 VAL 39 -3.070 -13.392 0.483 287 HG21 VAL 39 HG21 VAL 39 -3.930 -10.833 3.135 288 HG22 VAL 39 HG22 VAL 39 -2.371 -11.498 2.652 289 HG23 VAL 39 HG23 VAL 39 -3.536 -10.985 1.415 290 H ALA 40 H ALA 40 -7.200 -11.206 0.946 291 HA ALA 40 HA ALA 40 -8.256 -10.278 3.538 292 HB1 ALA 40 HB1 ALA 40 -7.075 -8.340 1.507 293 HB2 ALA 40 HB2 ALA 40 -7.882 -7.923 3.025 294 HB3 ALA 40 HB3 ALA 40 -6.329 -8.784 3.061 295 H GLU 41 H GLU 41 -10.113 -8.950 3.336 296 HA GLU 41 HA GLU 41 -11.742 -9.395 0.894 297 HB2 GLU 41 HB1 GLU 41 -12.645 -10.139 3.072 298 HB3 GLU 41 HB2 GLU 41 -12.522 -8.505 3.717 299 HG2 GLU 41 HG1 GLU 41 -14.827 -9.260 2.956 300 HG3 GLU 41 HG2 GLU 41 -14.266 -7.715 2.290 301 H ARG 42 H ARG 42 -12.110 -6.667 3.117 302 HA ARG 42 HA ARG 42 -12.190 -4.829 0.890 303 HB2 ARG 42 HB1 ARG 42 -13.575 -4.495 2.859 304 HB3 ARG 42 HB2 ARG 42 -12.153 -4.384 3.907 305 HG2 ARG 42 HG1 ARG 42 -11.483 -2.313 2.982 306 HG3 ARG 42 HG2 ARG 42 -12.517 -2.530 1.549 307 HD2 ARG 42 HD1 ARG 42 -14.332 -2.600 3.677 308 HD3 ARG 42 HD2 ARG 42 -13.138 -1.386 4.200 309 HE ARG 42 HE ARG 42 -13.797 0.028 2.464 310 HH11 ARG 42 HH12 ARG 42 -15.250 -3.128 1.728 311 HH12 ARG 42 HH11 ARG 42 -15.954 -2.519 0.257 312 HH21 ARG 42 HH22 ARG 42 -14.522 0.650 0.676 313 HH22 ARG 42 HH21 ARG 42 -15.549 -0.323 -0.375 314 H VAL 43 H VAL 43 -10.555 -3.887 -0.053 315 HA VAL 43 HA VAL 43 -8.234 -3.008 1.557 316 HB VAL 43 HB VAL 43 -7.354 -4.808 0.296 317 HG11 VAL 43 HG11 VAL 43 -7.323 -4.917 -2.128 318 HG12 VAL 43 HG12 VAL 43 -8.987 -5.012 -1.530 319 HG13 VAL 43 HG13 VAL 43 -8.382 -3.494 -2.239 320 HG21 VAL 43 HG21 VAL 43 -6.505 -2.271 -1.148 321 HG22 VAL 43 HG22 VAL 43 -6.062 -2.644 0.524 322 HG23 VAL 43 HG23 VAL 43 -5.528 -3.713 -0.789 323 H GLU 44 H GLU 44 -7.847 -0.894 1.467 324 HA GLU 44 HA GLU 44 -8.813 0.764 -0.833 325 HB2 GLU 44 HB1 GLU 44 -9.208 1.336 2.130 326 HB3 GLU 44 HB2 GLU 44 -9.499 2.501 0.812 327 HG2 GLU 44 HG1 GLU 44 -11.217 0.976 -0.120 328 HG3 GLU 44 HG2 GLU 44 -10.979 -0.125 1.255 329 H LEU 45 H LEU 45 -7.284 2.373 -1.471 330 HA LEU 45 HA LEU 45 -4.771 2.352 -0.004 331 HB2 LEU 45 HB1 LEU 45 -5.085 2.334 -2.538 332 HB3 LEU 45 HB2 LEU 45 -5.483 4.047 -2.426 333 HG LEU 45 HG LEU 45 -2.956 2.987 -1.086 334 HD11 LEU 45 HD11 LEU 45 -2.938 2.064 -3.353 335 HD12 LEU 45 HD12 LEU 45 -1.714 3.330 -3.139 336 HD13 LEU 45 HD13 LEU 45 -3.230 3.673 -4.032 337 HD21 LEU 45 HD21 LEU 45 -2.064 5.178 -1.654 338 HD22 LEU 45 HD22 LEU 45 -3.614 5.408 -0.841 339 HD23 LEU 45 HD23 LEU 45 -3.517 5.555 -2.617 340 H HIS 46 H HIS 46 -4.250 3.595 1.540 341 HA HIS 46 HA HIS 46 -5.518 6.260 1.912 342 HB2 HIS 46 HB1 HIS 46 -4.359 4.283 3.892 343 HB3 HIS 46 HB2 HIS 46 -4.655 5.981 4.309 344 HD2 HIS 46 HD2 HIS 46 -7.460 4.164 2.339 345 HE1 HIS 46 HE1 HIS 46 -8.736 4.493 6.355 346 HE2 HIS 46 HE2 HIS 46 -9.397 3.724 4.011 347 H GLU 47 H GLU 47 -4.264 7.942 2.662 348 HA GLU 47 HA GLU 47 -1.308 7.709 2.329 349 HB2 GLU 47 HB1 GLU 47 -1.161 10.062 2.067 350 HB3 GLU 47 HB2 GLU 47 -2.236 9.370 0.831 351 HG2 GLU 47 HG1 GLU 47 -4.193 10.188 2.006 352 HG3 GLU 47 HG2 GLU 47 -3.197 10.731 3.377 353 H THR 48 H THR 48 -0.262 9.426 3.918 354 HA THR 48 HA THR 48 -1.588 9.533 6.558 355 HB THR 48 HB THR 48 1.070 8.124 6.175 356 HG1 THR 48 HG1 THR 48 -1.436 7.349 6.041 357 HG21 THR 48 HG21 THR 48 0.827 7.649 8.620 358 HG22 THR 48 HG22 THR 48 -0.567 8.753 8.680 359 HG23 THR 48 HG23 THR 48 1.051 9.378 8.293 360 H PHE 49 H PHE 49 -1.557 11.562 6.862 361 HA PHE 49 HA PHE 49 0.567 13.254 5.650 362 HB2 PHE 49 HB1 PHE 49 -1.214 14.723 4.978 363 HB3 PHE 49 HB2 PHE 49 -1.553 13.089 4.405 364 HD1 PHE 49 HD2 PHE 49 -3.305 11.687 5.765 365 HD2 PHE 49 HD1 PHE 49 -2.847 15.953 6.133 366 HE1 PHE 49 HE2 PHE 49 -5.543 11.840 6.800 367 HE2 PHE 49 HE1 PHE 49 -5.119 16.113 7.085 368 HZ PHE 49 HZ PHE 49 -6.456 14.048 7.460 369 H MET 50 H MET 50 0.819 15.404 6.444 370 HA MET 50 HA MET 50 0.556 15.663 9.399 371 HB2 MET 50 HB1 MET 50 2.062 17.224 7.294 372 HB3 MET 50 HB2 MET 50 1.752 17.893 8.925 373 HG2 MET 50 HG1 MET 50 2.789 15.812 9.877 374 HG3 MET 50 HG2 MET 50 3.302 15.368 8.252 375 HE1 MET 50 HE1 MET 50 4.239 18.062 6.869 376 HE2 MET 50 HE2 MET 50 5.953 18.022 7.325 377 HE3 MET 50 HE3 MET 50 5.124 16.519 6.881 378 H ARG 51 H ARG 51 -0.623 17.193 10.416 379 HA ARG 51 HA ARG 51 -2.103 19.277 9.117 380 HB2 ARG 51 HB1 ARG 51 -4.375 18.362 9.639 381 HB3 ARG 51 HB2 ARG 51 -3.545 17.577 8.282 382 HG2 ARG 51 HG1 ARG 51 -3.583 15.564 9.282 383 HG3 ARG 51 HG2 ARG 51 -3.065 16.190 10.855 384 HD2 ARG 51 HD1 ARG 51 -5.896 16.360 9.772 385 HD3 ARG 51 HD2 ARG 51 -5.310 15.150 10.927 386 HE ARG 51 HE ARG 51 -5.668 18.080 11.397 387 HH11 ARG 51 HH12 ARG 51 -4.711 14.984 12.845 388 HH12 ARG 51 HH11 ARG 51 -4.781 15.641 14.445 389 HH21 ARG 51 HH22 ARG 51 -5.392 18.921 13.413 390 HH22 ARG 51 HH21 ARG 51 -5.163 17.861 14.767 391 H GLU 52 H GLU 52 -2.491 20.815 10.546 392 HA GLU 52 HA GLU 52 -1.658 20.429 13.359 393 HB2 GLU 52 HB1 GLU 52 -2.000 22.681 11.437 394 HB3 GLU 52 HB2 GLU 52 -1.905 23.004 13.185 395 HG2 GLU 52 HG1 GLU 52 0.281 23.064 11.896 396 HG3 GLU 52 HG2 GLU 52 0.246 22.113 13.384 397 H VAL 53 H VAL 53 -2.801 21.676 15.035 398 HA VAL 53 HA VAL 53 -5.486 22.633 14.543 399 HB VAL 53 HB VAL 53 -5.858 20.246 15.111 400 HG11 VAL 53 HG11 VAL 53 -4.053 20.091 16.793 401 HG12 VAL 53 HG12 VAL 53 -5.063 21.038 17.907 402 HG13 VAL 53 HG13 VAL 53 -5.620 19.443 17.339 403 HG21 VAL 53 HG21 VAL 53 -7.616 21.965 15.363 404 HG22 VAL 53 HG22 VAL 53 -7.756 20.705 16.602 405 HG23 VAL 53 HG23 VAL 53 -7.070 22.289 17.024 406 H GLU 54 H GLU 54 -5.849 24.463 15.792 407 HA GLU 54 HA GLU 54 -5.381 26.221 17.177 408 HB2 GLU 54 HB1 GLU 54 -5.462 24.163 18.799 409 HB3 GLU 54 HB2 GLU 54 -3.719 24.449 18.950 410 HG2 GLU 54 HG1 GLU 54 -4.307 26.823 19.689 411 HG3 GLU 54 HG2 GLU 54 -5.996 26.277 19.781 412 H GLY 55 H GLY 55 -3.216 25.077 15.141 413 HA2 GLY 55 HA3 GLY 55 -1.211 25.991 14.312 414 HA3 GLY 55 HA2 GLY 55 -1.010 26.916 15.817 415 H LYS 56 H LYS 56 -1.727 23.743 16.727 416 HA LYS 56 HA LYS 56 1.109 23.125 17.292 417 HB2 LYS 56 HB1 LYS 56 -1.536 22.150 18.469 418 HB3 LYS 56 HB2 LYS 56 0.082 21.636 18.979 419 HG2 LYS 56 HG1 LYS 56 0.603 23.996 19.586 420 HG3 LYS 56 HG2 LYS 56 -1.063 24.455 19.177 421 HD2 LYS 56 HD1 LYS 56 -0.202 22.582 21.414 422 HD3 LYS 56 HD2 LYS 56 -0.804 24.262 21.558 423 HE2 LYS 56 HE1 LYS 56 -2.873 23.255 20.237 424 HE3 LYS 56 HE2 LYS 56 -2.327 21.723 20.891 425 HZ1 LYS 56 HZ1 LYS 56 -3.998 23.060 22.225 426 HZ2 LYS 56 HZ2 LYS 56 -2.949 24.182 22.437 427 HZ3 LYS 56 HZ3 LYS 56 -2.632 22.699 23.140 428 H LYS 57 H LYS 57 1.990 21.194 16.776 429 HA LYS 57 HA LYS 57 1.233 20.352 14.205 430 HB2 LYS 57 HB1 LYS 57 3.463 20.823 14.697 431 HB3 LYS 57 HB2 LYS 57 3.443 19.843 16.192 432 HG2 LYS 57 HG1 LYS 57 4.854 18.879 14.519 433 HG3 LYS 57 HG2 LYS 57 3.504 17.830 14.975 434 HD2 LYS 57 HD1 LYS 57 4.105 17.747 12.556 435 HD3 LYS 57 HD2 LYS 57 2.426 18.232 12.832 436 HE2 LYS 57 HE1 LYS 57 3.283 20.658 12.617 437 HE3 LYS 57 HE2 LYS 57 4.788 19.968 12.003 438 HZ1 LYS 57 HZ1 LYS 57 3.166 20.546 10.239 439 HZ2 LYS 57 HZ2 LYS 57 2.062 19.610 10.884 440 HZ3 LYS 57 HZ3 LYS 57 3.428 18.905 10.234 441 H VAL 58 H VAL 58 0.209 18.569 13.433 442 HA VAL 58 HA VAL 58 0.186 16.061 14.986 443 HB VAL 58 HB VAL 58 -2.534 16.648 14.096 444 HG11 VAL 58 HG11 VAL 58 -3.132 15.550 16.178 445 HG12 VAL 58 HG12 VAL 58 -1.860 14.628 15.370 446 HG13 VAL 58 HG13 VAL 58 -1.455 15.662 16.751 447 HG21 VAL 58 HG21 VAL 58 -3.336 17.944 15.946 448 HG22 VAL 58 HG22 VAL 58 -1.694 18.205 16.549 449 HG23 VAL 58 HG23 VAL 58 -2.205 18.900 14.991 450 H MET 59 H MET 59 -1.525 14.579 13.656 451 HA MET 59 HA MET 59 -1.014 14.686 10.753 452 HB2 MET 59 HB1 MET 59 0.042 12.502 10.722 453 HB3 MET 59 HB2 MET 59 0.971 13.618 11.741 454 HG2 MET 59 HG1 MET 59 -0.775 12.422 13.543 455 HG3 MET 59 HG2 MET 59 -0.415 11.098 12.416 456 HE1 MET 59 HE1 MET 59 2.600 13.263 15.174 457 HE2 MET 59 HE2 MET 59 1.754 14.128 13.879 458 HE3 MET 59 HE3 MET 59 0.837 13.438 15.243 459 H GLY 60 H GLY 60 -1.905 12.461 9.778 460 HA2 GLY 60 HA3 GLY 60 -3.958 11.069 11.199 461 HA3 GLY 60 HA2 GLY 60 -4.676 12.208 10.037 462 H MET 61 H MET 61 -5.224 9.605 9.687 463 HA MET 61 HA MET 61 -3.848 8.974 7.106 464 HB2 MET 61 HB1 MET 61 -5.434 7.092 8.897 465 HB3 MET 61 HB2 MET 61 -4.711 6.700 7.309 466 HG2 MET 61 HG1 MET 61 -3.215 5.782 8.777 467 HG3 MET 61 HG2 MET 61 -2.459 7.318 8.388 468 HE1 MET 61 HE1 MET 61 -1.381 6.385 12.045 469 HE2 MET 61 HE2 MET 61 -1.809 5.238 10.753 470 HE3 MET 61 HE3 MET 61 -0.849 6.688 10.376 471 H ARG 62 H ARG 62 -5.307 8.373 5.384 472 HA ARG 62 HA ARG 62 -8.163 8.475 5.648 473 HB2 ARG 62 HB1 ARG 62 -6.796 10.998 5.051 474 HB3 ARG 62 HB2 ARG 62 -7.866 10.522 3.706 475 HG2 ARG 62 HG1 ARG 62 -9.753 10.301 5.261 476 HG3 ARG 62 HG2 ARG 62 -8.726 10.804 6.617 477 HD2 ARG 62 HD1 ARG 62 -8.355 12.994 5.547 478 HD3 ARG 62 HD2 ARG 62 -9.362 12.492 4.170 479 HE ARG 62 HE ARG 62 -10.830 12.111 6.571 480 HH11 ARG 62 HH12 ARG 62 -9.656 14.842 4.660 481 HH12 ARG 62 HH11 ARG 62 -11.000 15.856 5.101 482 HH21 ARG 62 HH22 ARG 62 -12.548 13.477 7.109 483 HH22 ARG 62 HH21 ARG 62 -12.578 15.107 6.524 484 HA PRO 63 HA PRO 63 -7.457 6.346 1.736 485 HB2 PRO 63 HB1 PRO 63 -10.014 6.309 0.712 486 HB3 PRO 63 HB2 PRO 63 -9.356 5.096 1.826 487 HG2 PRO 63 HG1 PRO 63 -11.164 7.369 2.392 488 HG3 PRO 63 HG2 PRO 63 -11.047 5.804 3.247 489 HD2 PRO 63 HD1 PRO 63 -10.036 8.287 4.126 490 HD3 PRO 63 HD2 PRO 63 -9.499 6.704 4.731 491 H VAL 64 H VAL 64 -7.204 6.877 -0.360 492 HA VAL 64 HA VAL 64 -7.986 9.627 -1.256 493 HB VAL 64 HB VAL 64 -5.912 9.428 -2.772 494 HG11 VAL 64 HG11 VAL 64 -5.556 9.843 0.216 495 HG12 VAL 64 HG12 VAL 64 -4.461 10.427 -1.062 496 HG13 VAL 64 HG13 VAL 64 -6.117 11.049 -0.965 497 HG21 VAL 64 HG21 VAL 64 -4.015 8.145 -1.998 498 HG22 VAL 64 HG22 VAL 64 -4.937 7.491 -0.636 499 HG23 VAL 64 HG23 VAL 64 -5.371 7.043 -2.305 500 HA PRO 65 HA PRO 65 -9.806 7.485 -4.680 501 HB2 PRO 65 HB1 PRO 65 -9.548 9.224 -6.773 502 HB3 PRO 65 HB2 PRO 65 -10.648 9.521 -5.392 503 HG2 PRO 65 HG1 PRO 65 -7.829 10.578 -5.777 504 HG3 PRO 65 HG2 PRO 65 -9.310 11.508 -5.343 505 HD2 PRO 65 HD1 PRO 65 -7.557 10.657 -3.441 506 HD3 PRO 65 HD2 PRO 65 -9.321 10.617 -3.146 507 H PHE 66 H PHE 66 -6.360 8.447 -4.811 508 HA PHE 66 HA PHE 66 -5.582 6.119 -6.149 509 HB2 PHE 66 HB1 PHE 66 -4.795 7.000 -8.278 510 HB3 PHE 66 HB2 PHE 66 -6.551 7.047 -8.168 511 HD1 PHE 66 HD2 PHE 66 -3.466 9.158 -8.052 512 HD2 PHE 66 HD1 PHE 66 -7.756 9.067 -8.463 513 HE1 PHE 66 HE2 PHE 66 -3.434 11.499 -8.818 514 HE2 PHE 66 HE1 PHE 66 -7.727 11.426 -9.231 515 HZ PHE 66 HZ PHE 66 -5.560 12.649 -9.421 516 H LEU 67 H LEU 67 -3.373 6.135 -6.733 517 HA LEU 67 HA LEU 67 -1.641 8.333 -5.793 518 HB2 LEU 67 HB1 LEU 67 -1.580 5.501 -5.051 519 HB3 LEU 67 HB2 LEU 67 -0.109 5.899 -5.953 520 HG LEU 67 HG LEU 67 -1.126 7.276 -3.442 521 HD11 LEU 67 HD11 LEU 67 0.998 6.196 -2.516 522 HD12 LEU 67 HD12 LEU 67 1.240 5.400 -4.068 523 HD13 LEU 67 HD13 LEU 67 -0.180 5.003 -3.077 524 HD21 LEU 67 HD21 LEU 67 1.171 8.381 -3.476 525 HD22 LEU 67 HD22 LEU 67 0.124 8.943 -4.771 526 HD23 LEU 67 HD23 LEU 67 1.408 7.760 -5.120 527 H GLU 68 H GLU 68 0.578 8.053 -7.150 528 HA GLU 68 HA GLU 68 0.323 6.684 -9.669 529 HB2 GLU 68 HB1 GLU 68 0.223 8.420 -11.195 530 HB3 GLU 68 HB2 GLU 68 -1.095 8.713 -10.057 531 HG2 GLU 68 HG1 GLU 68 0.381 10.466 -8.959 532 HG3 GLU 68 HG2 GLU 68 1.560 10.185 -10.265 533 H VAL 69 H VAL 69 2.177 7.207 -11.142 534 HA VAL 69 HA VAL 69 4.632 7.671 -9.582 535 HB VAL 69 HB VAL 69 4.278 5.033 -11.097 536 HG11 VAL 69 HG11 VAL 69 6.193 4.285 -9.722 537 HG12 VAL 69 HG12 VAL 69 6.607 5.725 -10.651 538 HG13 VAL 69 HG13 VAL 69 6.244 5.870 -8.920 539 HG21 VAL 69 HG21 VAL 69 4.003 3.819 -8.981 540 HG22 VAL 69 HG22 VAL 69 3.817 5.356 -8.113 541 HG23 VAL 69 HG23 VAL 69 2.620 4.851 -9.333 542 HA PRO 70 HA PRO 70 5.744 8.952 -13.755 543 HB2 PRO 70 HB1 PRO 70 8.336 9.706 -13.409 544 HB3 PRO 70 HB2 PRO 70 6.960 10.646 -12.757 545 HG2 PRO 70 HG1 PRO 70 8.662 8.586 -11.311 546 HG3 PRO 70 HG2 PRO 70 8.241 10.248 -10.758 547 HD2 PRO 70 HD1 PRO 70 6.845 8.036 -9.940 548 HD3 PRO 70 HD2 PRO 70 6.032 9.599 -10.237 549 HA PRO 71 HA PRO 71 7.856 5.452 -15.598 550 HB2 PRO 71 HB1 PRO 71 9.287 6.623 -17.638 551 HB3 PRO 71 HB2 PRO 71 7.529 6.264 -17.643 552 HG2 PRO 71 HG1 PRO 71 8.896 8.888 -17.121 553 HG3 PRO 71 HG2 PRO 71 7.376 8.560 -18.042 554 HD2 PRO 71 HD1 PRO 71 7.398 9.478 -15.461 555 HD3 PRO 71 HD2 PRO 71 6.113 8.429 -16.105 556 H LYS 72 H LYS 72 9.613 4.259 -15.318 557 HA LYS 72 HA LYS 72 11.617 3.520 -14.629 558 HB2 LYS 72 HB1 LYS 72 12.758 6.302 -14.875 559 HB3 LYS 72 HB2 LYS 72 13.609 4.752 -15.008 560 HG2 LYS 72 HG1 LYS 72 11.581 5.888 -16.971 561 HG3 LYS 72 HG2 LYS 72 13.343 5.826 -17.158 562 HD2 LYS 72 HD1 LYS 72 13.286 3.401 -17.367 563 HD3 LYS 72 HD2 LYS 72 11.558 3.358 -16.911 564 HE2 LYS 72 HE1 LYS 72 10.967 4.658 -18.887 565 HE3 LYS 72 HE2 LYS 72 12.652 4.742 -19.401 566 HZ1 LYS 72 HZ1 LYS 72 11.364 3.031 -20.523 567 HZ2 LYS 72 HZ2 LYS 72 11.080 2.242 -19.104 568 HZ3 LYS 72 HZ3 LYS 72 12.613 2.361 -19.706 569 H GLY 73 H GLY 73 9.800 5.421 -12.851 570 HA2 GLY 73 HA3 GLY 73 11.525 5.798 -10.499 571 HA3 GLY 73 HA2 GLY 73 9.868 6.402 -10.722 572 H ARG 74 H ARG 74 11.659 4.402 -9.056 573 HA ARG 74 HA ARG 74 9.336 2.737 -8.251 574 HB2 ARG 74 HB1 ARG 74 10.562 1.526 -6.680 575 HB3 ARG 74 HB2 ARG 74 11.388 1.456 -8.251 576 HG2 ARG 74 HG1 ARG 74 13.276 2.303 -7.454 577 HG3 ARG 74 HG2 ARG 74 12.476 3.489 -6.409 578 HD2 ARG 74 HD1 ARG 74 13.922 1.671 -5.319 579 HD3 ARG 74 HD2 ARG 74 12.324 2.037 -4.617 580 HE ARG 74 HE ARG 74 12.140 -0.214 -4.615 581 HH11 ARG 74 HH12 ARG 74 13.443 0.408 -7.868 582 HH12 ARG 74 HH11 ARG 74 12.857 -1.123 -8.443 583 HH21 ARG 74 HH22 ARG 74 11.620 -2.224 -5.420 584 HH22 ARG 74 HH21 ARG 74 11.822 -2.504 -7.138 585 H VAL 75 H VAL 75 8.375 2.866 -6.290 586 HA VAL 75 HA VAL 75 9.079 5.014 -4.387 587 HB VAL 75 HB VAL 75 6.751 5.811 -4.220 588 HG11 VAL 75 HG11 VAL 75 8.390 7.097 -5.558 589 HG12 VAL 75 HG12 VAL 75 7.840 6.257 -7.026 590 HG13 VAL 75 HG13 VAL 75 6.726 7.303 -6.129 591 HG21 VAL 75 HG21 VAL 75 6.213 4.267 -6.802 592 HG22 VAL 75 HG22 VAL 75 5.526 3.901 -5.206 593 HG23 VAL 75 HG23 VAL 75 5.111 5.413 -6.016 594 H GLU 76 H GLU 76 7.847 4.715 -2.302 595 HA GLU 76 HA GLU 76 6.800 1.926 -2.011 596 HB2 GLU 76 HB1 GLU 76 8.262 3.525 0.096 597 HB3 GLU 76 HB2 GLU 76 7.524 1.895 0.252 598 HG2 GLU 76 HG1 GLU 76 9.583 1.147 -0.133 599 HG3 GLU 76 HG2 GLU 76 9.211 1.468 -1.827 600 H LEU 77 H LEU 77 4.947 1.619 -1.120 601 HA LEU 77 HA LEU 77 3.375 3.732 0.198 602 HB2 LEU 77 HB1 LEU 77 2.955 0.820 -0.490 603 HB3 LEU 77 HB2 LEU 77 1.966 1.620 0.763 604 HG LEU 77 HG LEU 77 1.324 3.344 -0.973 605 HD11 LEU 77 HD11 LEU 77 3.035 3.054 -2.684 606 HD12 LEU 77 HD12 LEU 77 1.465 2.640 -3.369 607 HD13 LEU 77 HD13 LEU 77 2.588 1.348 -2.898 608 HD21 LEU 77 HD21 LEU 77 -0.341 1.820 -2.038 609 HD22 LEU 77 HD22 LEU 77 -0.216 1.639 -0.291 610 HD23 LEU 77 HD23 LEU 77 0.547 0.436 -1.364 611 H LYS 78 H LYS 78 5.209 4.255 1.460 612 HA LYS 78 HA LYS 78 6.022 2.512 3.673 613 HB2 LYS 78 HB1 LYS 78 7.169 4.799 4.353 614 HB3 LYS 78 HB2 LYS 78 7.820 3.832 3.003 615 HG2 LYS 78 HG1 LYS 78 7.158 5.320 1.407 616 HG3 LYS 78 HG2 LYS 78 5.810 5.977 2.340 617 HD2 LYS 78 HD1 LYS 78 8.723 6.562 2.985 618 HD3 LYS 78 HD2 LYS 78 7.680 7.551 1.915 619 HE2 LYS 78 HE1 LYS 78 6.025 7.362 4.004 620 HE3 LYS 78 HE2 LYS 78 7.514 7.124 4.909 621 HZ1 LYS 78 HZ1 LYS 78 6.677 9.437 4.715 622 HZ2 LYS 78 HZ2 LYS 78 7.010 9.433 3.113 623 HZ3 LYS 78 HZ3 LYS 78 8.238 9.289 4.206 624 HA PRO 79 HA PRO 79 2.749 3.303 6.418 625 HB2 PRO 79 HB1 PRO 79 4.117 3.857 8.852 626 HB3 PRO 79 HB2 PRO 79 3.568 2.278 8.244 627 HG2 PRO 79 HG1 PRO 79 6.281 3.543 8.017 628 HG3 PRO 79 HG2 PRO 79 5.869 1.809 8.254 629 HD2 PRO 79 HD1 PRO 79 6.653 2.745 5.837 630 HD3 PRO 79 HD2 PRO 79 5.335 1.546 5.955 631 H GLY 80 H GLY 80 5.241 5.754 7.444 632 HA2 GLY 80 HA3 GLY 80 3.199 7.815 7.766 633 HA3 GLY 80 HA2 GLY 80 4.958 8.010 7.935 634 H GLY 81 H GLY 81 2.749 7.071 5.314 635 HA2 GLY 81 HA3 GLY 81 3.499 9.183 3.452 636 HA3 GLY 81 HA2 GLY 81 4.211 7.597 3.079 637 H TYR 82 H TYR 82 2.753 5.785 2.845 638 HA TYR 82 HA TYR 82 -0.043 6.200 2.042 639 HB2 TYR 82 HB1 TYR 82 2.015 5.323 0.021 640 HB3 TYR 82 HB2 TYR 82 0.273 5.492 -0.226 641 HD1 TYR 82 HD2 TYR 82 -0.727 7.873 -0.080 642 HD2 TYR 82 HD1 TYR 82 3.483 7.061 -0.519 643 HE1 TYR 82 HE2 TYR 82 -0.376 10.193 -0.926 644 HE2 TYR 82 HE1 TYR 82 3.841 9.358 -1.386 645 HH TYR 82 HH TYR 82 2.838 11.351 -2.005 646 H HIS 83 H HIS 83 -1.166 4.179 1.906 647 HA HIS 83 HA HIS 83 0.197 1.642 1.945 648 HB2 HIS 83 HB1 HIS 83 -0.292 0.928 4.191 649 HB3 HIS 83 HB2 HIS 83 0.833 2.274 4.224 650 HD1 HIS 83 HD1 HIS 83 -0.127 4.583 5.382 651 HD2 HIS 83 HD2 HIS 83 -2.735 1.279 5.208 652 HE1 HIS 83 HE1 HIS 83 -2.051 5.085 6.960 653 H PHE 84 H PHE 84 -1.345 -0.189 2.357 654 HA PHE 84 HA PHE 84 -4.068 0.550 1.362 655 HB2 PHE 84 HB1 PHE 84 -2.290 -1.865 1.189 656 HB3 PHE 84 HB2 PHE 84 -4.035 -2.028 0.991 657 HD1 PHE 84 HD1 PHE 84 -5.058 -0.170 -0.749 658 HD2 PHE 84 HD2 PHE 84 -1.014 -1.656 -0.740 659 HE1 PHE 84 HE1 PHE 84 -4.938 0.138 -3.201 660 HE2 PHE 84 HE2 PHE 84 -0.859 -1.221 -3.179 661 HZ PHE 84 HZ PHE 84 -2.837 -0.369 -4.422 662 H MET 85 H MET 85 -5.606 0.571 2.796 663 HA MET 85 HA MET 85 -5.393 -0.746 5.431 664 HB2 MET 85 HB1 MET 85 -7.177 1.267 4.134 665 HB3 MET 85 HB2 MET 85 -7.957 0.193 5.329 666 HG2 MET 85 HG1 MET 85 -5.469 1.835 5.868 667 HG3 MET 85 HG2 MET 85 -7.128 2.290 6.324 668 HE1 MET 85 HE1 MET 85 -4.177 1.610 7.995 669 HE2 MET 85 HE2 MET 85 -4.192 -0.027 8.695 670 HE3 MET 85 HE3 MET 85 -4.054 0.198 6.934 671 H LEU 86 H LEU 86 -5.525 -2.794 5.438 672 HA LEU 86 HA LEU 86 -7.483 -4.296 3.814 673 HB2 LEU 86 HB1 LEU 86 -5.458 -5.299 5.842 674 HB3 LEU 86 HB2 LEU 86 -6.409 -6.273 4.697 675 HG LEU 86 HG LEU 86 -4.085 -4.400 4.093 676 HD11 LEU 86 HD11 LEU 86 -4.522 -7.402 3.758 677 HD12 LEU 86 HD12 LEU 86 -3.450 -6.602 4.927 678 HD13 LEU 86 HD13 LEU 86 -3.098 -6.526 3.190 679 HD21 LEU 86 HD21 LEU 86 -5.910 -5.834 2.112 680 HD22 LEU 86 HD22 LEU 86 -4.363 -5.051 1.706 681 HD23 LEU 86 HD23 LEU 86 -5.706 -4.074 2.308 682 H LEU 87 H LEU 87 -9.426 -4.846 4.628 683 HA LEU 87 HA LEU 87 -9.808 -4.957 7.586 684 HB2 LEU 87 HB1 LEU 87 -10.923 -3.033 5.762 685 HB3 LEU 87 HB2 LEU 87 -12.249 -4.067 6.317 686 HG LEU 87 HG LEU 87 -10.290 -2.646 8.172 687 HD11 LEU 87 HD11 LEU 87 -12.129 -1.049 8.593 688 HD12 LEU 87 HD12 LEU 87 -13.119 -1.848 7.351 689 HD13 LEU 87 HD13 LEU 87 -11.619 -1.008 6.898 690 HD21 LEU 87 HD21 LEU 87 -11.393 -4.656 9.173 691 HD22 LEU 87 HD22 LEU 87 -12.977 -4.003 8.717 692 HD23 LEU 87 HD23 LEU 87 -11.973 -3.159 9.915 693 H GLY 88 H GLY 88 -10.346 -6.927 8.155 694 HA2 GLY 88 HA3 GLY 88 -11.477 -9.006 8.083 695 HA3 GLY 88 HA2 GLY 88 -12.095 -8.620 6.461 696 H LEU 89 H LEU 89 -9.050 -9.319 8.241 697 HA LEU 89 HA LEU 89 -7.656 -10.364 5.883 698 HB2 LEU 89 HB1 LEU 89 -7.146 -10.772 8.853 699 HB3 LEU 89 HB2 LEU 89 -6.058 -11.268 7.536 700 HG LEU 89 HG LEU 89 -6.762 -8.431 8.389 701 HD11 LEU 89 HD11 LEU 89 -4.403 -8.299 8.991 702 HD12 LEU 89 HD12 LEU 89 -4.107 -9.931 8.354 703 HD13 LEU 89 HD13 LEU 89 -5.124 -9.710 9.788 704 HD21 LEU 89 HD21 LEU 89 -5.089 -7.699 6.683 705 HD22 LEU 89 HD22 LEU 89 -6.538 -8.397 5.951 706 HD23 LEU 89 HD23 LEU 89 -5.040 -9.355 6.039 707 H LYS 90 H LYS 90 -7.804 -12.373 5.027 708 HA LYS 90 HA LYS 90 -10.054 -13.994 5.936 709 HB2 LYS 90 HB1 LYS 90 -8.194 -14.252 3.534 710 HB3 LYS 90 HB2 LYS 90 -9.650 -15.249 3.817 711 HG2 LYS 90 HG1 LYS 90 -10.977 -13.119 3.995 712 HG3 LYS 90 HG2 LYS 90 -9.526 -12.242 3.451 713 HD2 LYS 90 HD1 LYS 90 -9.653 -13.144 1.272 714 HD3 LYS 90 HD2 LYS 90 -10.780 -14.430 1.760 715 HE2 LYS 90 HE1 LYS 90 -12.590 -12.963 1.963 716 HE3 LYS 90 HE2 LYS 90 -11.533 -11.551 2.234 717 HZ1 LYS 90 HZ1 LYS 90 -10.986 -11.544 -0.058 718 HZ2 LYS 90 HZ2 LYS 90 -12.615 -11.442 0.147 719 HZ3 LYS 90 HZ3 LYS 90 -11.964 -12.863 -0.367 720 H ARG 91 H ARG 91 -7.250 -13.982 7.293 721 HA ARG 91 HA ARG 91 -7.028 -16.579 8.384 722 HB2 ARG 91 HB1 ARG 91 -4.974 -17.314 7.173 723 HB3 ARG 91 HB2 ARG 91 -6.423 -17.345 6.156 724 HG2 ARG 91 HG1 ARG 91 -5.671 -15.037 5.297 725 HG3 ARG 91 HG2 ARG 91 -4.126 -15.347 6.107 726 HD2 ARG 91 HD1 ARG 91 -5.392 -17.011 3.897 727 HD3 ARG 91 HD2 ARG 91 -3.997 -15.935 3.726 728 HE ARG 91 HE ARG 91 -4.047 -18.644 4.773 729 HH11 ARG 91 HH12 ARG 91 -2.136 -15.648 4.875 730 HH12 ARG 91 HH11 ARG 91 -0.696 -16.524 5.367 731 HH21 ARG 91 HH22 ARG 91 -2.131 -19.639 5.448 732 HH22 ARG 91 HH21 ARG 91 -0.692 -18.664 5.606 733 HA PRO 92 HA PRO 92 -3.776 -14.138 10.540 734 HB2 PRO 92 HB1 PRO 92 -2.338 -16.128 11.721 735 HB3 PRO 92 HB2 PRO 92 -3.931 -15.611 12.350 736 HG2 PRO 92 HG1 PRO 92 -3.316 -17.961 10.539 737 HG3 PRO 92 HG2 PRO 92 -4.343 -17.940 12.017 738 HD2 PRO 92 HD1 PRO 92 -5.379 -17.745 9.474 739 HD3 PRO 92 HD2 PRO 92 -6.114 -16.903 10.870 740 H LEU 93 H LEU 93 -1.681 -13.631 9.887 741 HA LEU 93 HA LEU 93 -0.601 -15.059 7.492 742 HB2 LEU 93 HB1 LEU 93 -0.508 -12.226 8.515 743 HB3 LEU 93 HB2 LEU 93 0.843 -12.863 7.539 744 HG LEU 93 HG LEU 93 -0.663 -13.318 5.679 745 HD11 LEU 93 HD11 LEU 93 -2.813 -11.996 7.402 746 HD12 LEU 93 HD12 LEU 93 -2.803 -13.671 6.816 747 HD13 LEU 93 HD13 LEU 93 -2.961 -12.341 5.664 748 HD21 LEU 93 HD21 LEU 93 -0.871 -10.454 6.723 749 HD22 LEU 93 HD22 LEU 93 -1.003 -10.974 5.027 750 HD23 LEU 93 HD23 LEU 93 0.535 -11.142 5.890 751 H LYS 94 H LYS 94 1.577 -15.603 7.441 752 HA LYS 94 HA LYS 94 2.927 -15.766 10.121 753 HB2 LYS 94 HB1 LYS 94 2.254 -17.905 9.618 754 HB3 LYS 94 HB2 LYS 94 2.606 -17.796 7.910 755 HG2 LYS 94 HG1 LYS 94 4.860 -17.677 9.917 756 HG3 LYS 94 HG2 LYS 94 4.077 -19.238 9.529 757 HD2 LYS 94 HD1 LYS 94 4.602 -18.933 7.152 758 HD3 LYS 94 HD2 LYS 94 5.379 -17.380 7.509 759 HE2 LYS 94 HE1 LYS 94 6.788 -18.892 9.205 760 HE3 LYS 94 HE2 LYS 94 6.300 -20.186 8.100 761 HZ1 LYS 94 HZ1 LYS 94 7.747 -17.692 7.443 762 HZ2 LYS 94 HZ2 LYS 94 7.254 -18.726 6.282 763 HZ3 LYS 94 HZ3 LYS 94 8.395 -19.204 7.383 764 H ALA 95 H ALA 95 4.931 -14.947 10.325 765 HA ALA 95 HA ALA 95 6.002 -13.165 8.409 766 HB1 ALA 95 HB1 ALA 95 7.946 -13.078 9.898 767 HB2 ALA 95 HB2 ALA 95 6.446 -13.089 10.846 768 HB3 ALA 95 HB3 ALA 95 7.425 -14.569 10.711 769 H GLY 96 H GLY 96 7.045 -13.484 6.517 770 HA2 GLY 96 HA3 GLY 96 8.247 -14.546 4.845 771 HA3 GLY 96 HA2 GLY 96 8.764 -15.786 6.010 772 H GLU 97 H GLU 97 5.388 -14.945 5.327 773 HA GLU 97 HA GLU 97 5.138 -17.068 3.250 774 HB2 GLU 97 HB1 GLU 97 3.058 -15.254 4.543 775 HB3 GLU 97 HB2 GLU 97 2.734 -16.377 3.203 776 HG2 GLU 97 HG1 GLU 97 3.326 -18.277 4.639 777 HG3 GLU 97 HG2 GLU 97 3.619 -17.154 5.983 778 H GLU 98 H GLU 98 3.508 -15.715 1.500 779 HA GLU 98 HA GLU 98 4.568 -13.044 0.977 780 HB2 GLU 98 HB1 GLU 98 5.206 -13.633 -1.292 781 HB3 GLU 98 HB2 GLU 98 6.143 -14.558 -0.094 782 HG2 GLU 98 HG1 GLU 98 4.580 -16.495 -0.485 783 HG3 GLU 98 HG2 GLU 98 3.806 -15.572 -1.785 784 H VAL 99 H VAL 99 3.161 -11.784 -0.170 785 HA VAL 99 HA VAL 99 0.365 -12.846 -0.368 786 HB VAL 99 HB VAL 99 1.295 -10.013 0.233 787 HG11 VAL 99 HG11 VAL 99 -1.494 -11.248 0.094 788 HG12 VAL 99 HG12 VAL 99 -1.142 -9.630 0.742 789 HG13 VAL 99 HG13 VAL 99 -0.861 -9.968 -0.963 790 HG21 VAL 99 HG21 VAL 99 1.696 -11.408 2.122 791 HG22 VAL 99 HG22 VAL 99 0.230 -10.496 2.476 792 HG23 VAL 99 HG23 VAL 99 0.106 -12.200 1.995 793 H GLU 100 H GLU 100 0.223 -13.432 -2.381 794 HA GLU 100 HA GLU 100 0.650 -11.910 -4.787 795 HB2 GLU 100 HB1 GLU 100 -1.322 -13.993 -3.838 796 HB3 GLU 100 HB2 GLU 100 -1.598 -13.188 -5.392 797 HG2 GLU 100 HG1 GLU 100 1.115 -14.381 -4.840 798 HG3 GLU 100 HG2 GLU 100 -0.256 -15.459 -5.230 799 H LEU 101 H LEU 101 -0.244 -10.005 -5.406 800 HA LEU 101 HA LEU 101 -2.998 -9.321 -4.688 801 HB2 LEU 101 HB1 LEU 101 -1.704 -8.607 -2.765 802 HB3 LEU 101 HB2 LEU 101 -0.628 -7.657 -3.780 803 HG LEU 101 HG LEU 101 -3.590 -7.071 -3.506 804 HD11 LEU 101 HD11 LEU 101 -2.962 -5.386 -1.811 805 HD12 LEU 101 HD12 LEU 101 -1.273 -5.937 -1.876 806 HD13 LEU 101 HD13 LEU 101 -2.546 -7.016 -1.267 807 HD21 LEU 101 HD21 LEU 101 -1.267 -5.815 -4.899 808 HD22 LEU 101 HD22 LEU 101 -2.255 -4.697 -3.969 809 HD23 LEU 101 HD23 LEU 101 -3.014 -5.711 -5.211 810 H ASP 102 H ASP 102 -3.987 -8.385 -6.232 811 HA ASP 102 HA ASP 102 -2.775 -7.574 -8.753 812 HB2 ASP 102 HB1 ASP 102 -5.547 -7.832 -7.596 813 HB3 ASP 102 HB2 ASP 102 -5.278 -7.184 -9.199 814 H LEU 103 H LEU 103 -1.610 -5.676 -8.394 815 HA LEU 103 HA LEU 103 -2.821 -3.323 -7.139 816 HB2 LEU 103 HB1 LEU 103 -0.414 -3.742 -8.955 817 HB3 LEU 103 HB2 LEU 103 -0.860 -2.166 -8.283 818 HG LEU 103 HG LEU 103 -0.099 -4.621 -6.641 819 HD11 LEU 103 HD11 LEU 103 2.041 -3.472 -6.285 820 HD12 LEU 103 HD12 LEU 103 1.510 -2.120 -7.310 821 HD13 LEU 103 HD13 LEU 103 1.771 -3.723 -8.020 822 HD21 LEU 103 HD21 LEU 103 -0.395 -1.695 -5.792 823 HD22 LEU 103 HD22 LEU 103 0.081 -3.058 -4.760 824 HD23 LEU 103 HD23 LEU 103 -1.560 -2.977 -5.407 825 H LEU 104 H LEU 104 -4.285 -2.033 -8.022 826 HA LEU 104 HA LEU 104 -5.148 -2.524 -10.826 827 HB2 LEU 104 HB1 LEU 104 -6.527 -0.939 -8.633 828 HB3 LEU 104 HB2 LEU 104 -7.248 -1.582 -10.113 829 HG LEU 104 HG LEU 104 -6.365 -3.121 -7.714 830 HD11 LEU 104 HD11 LEU 104 -8.485 -1.892 -7.433 831 HD12 LEU 104 HD12 LEU 104 -8.755 -3.643 -7.440 832 HD13 LEU 104 HD13 LEU 104 -9.139 -2.678 -8.884 833 HD21 LEU 104 HD21 LEU 104 -7.584 -4.170 -10.312 834 HD22 LEU 104 HD22 LEU 104 -7.359 -5.132 -8.832 835 HD23 LEU 104 HD23 LEU 104 -5.952 -4.506 -9.694 836 H PHE 105 H PHE 105 -4.835 -0.998 -12.424 837 HA PHE 105 HA PHE 105 -4.013 1.744 -11.542 838 HB2 PHE 105 HB1 PHE 105 -2.888 0.095 -13.809 839 HB3 PHE 105 HB2 PHE 105 -2.422 1.753 -13.424 840 HD1 PHE 105 HD1 PHE 105 -2.197 -1.808 -12.369 841 HD2 PHE 105 HD2 PHE 105 -0.900 2.233 -11.594 842 HE1 PHE 105 HE1 PHE 105 -0.340 -2.663 -10.997 843 HE2 PHE 105 HE2 PHE 105 0.968 1.367 -10.220 844 HZ PHE 105 HZ PHE 105 1.260 -1.093 -9.927 845 H ALA 106 H ALA 106 -5.104 3.288 -12.292 846 HA ALA 106 HA ALA 106 -7.184 4.120 -13.063 847 HB1 ALA 106 HB1 ALA 106 -5.298 5.448 -13.719 848 HB2 ALA 106 HB2 ALA 106 -5.072 4.480 -15.202 849 HB3 ALA 106 HB3 ALA 106 -6.519 5.492 -14.998 850 H GLY 107 H GLY 107 -7.811 1.548 -13.275 851 HA2 GLY 107 HA3 GLY 107 -9.366 0.163 -14.246 852 HA3 GLY 107 HA2 GLY 107 -9.634 1.367 -15.527 853 H GLY 108 H GLY 108 -7.349 1.621 -16.814 854 HA2 GLY 108 HA3 GLY 108 -7.542 -0.636 -18.506 855 HA3 GLY 108 HA2 GLY 108 -6.477 0.768 -18.740 856 H LYS 109 H LYS 109 -5.448 -0.568 -15.855 857 HA LYS 109 HA LYS 109 -3.969 -2.881 -16.954 858 HB2 LYS 109 HB1 LYS 109 -2.796 -0.308 -16.248 859 HB3 LYS 109 HB2 LYS 109 -2.214 -1.570 -15.122 860 HG2 LYS 109 HG1 LYS 109 -0.654 -1.240 -16.887 861 HG3 LYS 109 HG2 LYS 109 -1.324 -2.875 -16.931 862 HD2 LYS 109 HD1 LYS 109 -0.999 -1.950 -19.176 863 HD3 LYS 109 HD2 LYS 109 -2.707 -2.264 -18.854 864 HE2 LYS 109 HE1 LYS 109 -2.726 0.285 -18.122 865 HE3 LYS 109 HE2 LYS 109 -1.207 0.383 -19.022 866 HZ1 LYS 109 HZ1 LYS 109 -2.447 -0.449 -20.969 867 HZ2 LYS 109 HZ2 LYS 109 -3.151 0.927 -20.395 868 HZ3 LYS 109 HZ3 LYS 109 -3.823 -0.541 -20.069 869 H VAL 110 H VAL 110 -3.589 -4.517 -15.420 870 HA VAL 110 HA VAL 110 -3.741 -3.907 -12.590 871 HB VAL 110 HB VAL 110 -5.932 -4.666 -12.940 872 HG11 VAL 110 HG11 VAL 110 -6.571 -6.803 -13.994 873 HG12 VAL 110 HG12 VAL 110 -5.831 -5.680 -15.136 874 HG13 VAL 110 HG13 VAL 110 -4.888 -7.052 -14.504 875 HG21 VAL 110 HG21 VAL 110 -4.453 -7.167 -11.994 876 HG22 VAL 110 HG22 VAL 110 -4.627 -5.706 -11.009 877 HG23 VAL 110 HG23 VAL 110 -6.070 -6.614 -11.514 878 H LEU 111 H LEU 111 -2.263 -5.079 -11.419 879 HA LEU 111 HA LEU 111 -0.605 -7.121 -12.856 880 HB2 LEU 111 HB1 LEU 111 0.377 -4.792 -11.178 881 HB3 LEU 111 HB2 LEU 111 1.398 -6.097 -11.809 882 HG LEU 111 HG LEU 111 -0.110 -4.064 -13.512 883 HD11 LEU 111 HD11 LEU 111 2.108 -3.090 -13.934 884 HD12 LEU 111 HD12 LEU 111 2.861 -4.278 -12.847 885 HD13 LEU 111 HD13 LEU 111 1.748 -3.060 -12.202 886 HD21 LEU 111 HD21 LEU 111 1.301 -4.929 -15.365 887 HD22 LEU 111 HD22 LEU 111 0.259 -6.204 -14.733 888 HD23 LEU 111 HD23 LEU 111 1.974 -6.167 -14.285 889 H LYS 112 H LYS 112 -1.241 -8.879 -11.848 890 HA LYS 112 HA LYS 112 -1.578 -9.222 -8.976 891 HB2 LYS 112 HB1 LYS 112 -2.734 -10.537 -10.713 892 HB3 LYS 112 HB2 LYS 112 -1.176 -11.165 -11.264 893 HG2 LYS 112 HG1 LYS 112 -1.015 -11.871 -8.658 894 HG3 LYS 112 HG2 LYS 112 -2.786 -11.801 -8.793 895 HD2 LYS 112 HD1 LYS 112 -2.021 -14.067 -9.194 896 HD3 LYS 112 HD2 LYS 112 -2.704 -13.389 -10.685 897 HE2 LYS 112 HE1 LYS 112 -0.627 -14.721 -11.064 898 HE3 LYS 112 HE2 LYS 112 -0.464 -13.038 -11.597 899 HZ1 LYS 112 HZ1 LYS 112 0.461 -14.018 -8.961 900 HZ2 LYS 112 HZ2 LYS 112 0.771 -12.577 -9.569 901 HZ3 LYS 112 HZ3 LYS 112 1.468 -13.909 -10.251 902 H VAL 113 H VAL 113 0.295 -8.408 -7.999 903 HA VAL 113 HA VAL 113 2.873 -9.858 -8.549 904 HB VAL 113 HB VAL 113 4.055 -7.908 -7.644 905 HG11 VAL 113 HG11 VAL 113 3.811 -8.239 -10.066 906 HG12 VAL 113 HG12 VAL 113 2.310 -7.291 -10.059 907 HG13 VAL 113 HG13 VAL 113 3.855 -6.517 -9.655 908 HG21 VAL 113 HG21 VAL 113 1.399 -6.410 -7.801 909 HG22 VAL 113 HG22 VAL 113 2.273 -6.810 -6.306 910 HG23 VAL 113 HG23 VAL 113 3.000 -5.713 -7.478 911 H VAL 114 H VAL 114 3.969 -10.725 -6.959 912 HA VAL 114 HA VAL 114 2.695 -10.983 -4.323 913 HB VAL 114 HB VAL 114 2.998 -13.025 -5.504 914 HG11 VAL 114 HG11 VAL 114 5.992 -12.492 -5.655 915 HG12 VAL 114 HG12 VAL 114 5.153 -13.968 -6.156 916 HG13 VAL 114 HG13 VAL 114 4.861 -12.460 -7.026 917 HG21 VAL 114 HG21 VAL 114 3.338 -13.016 -3.034 918 HG22 VAL 114 HG22 VAL 114 4.177 -14.335 -3.871 919 HG23 VAL 114 HG23 VAL 114 5.093 -12.916 -3.325 920 H LEU 115 H LEU 115 3.579 -10.251 -2.487 921 HA LEU 115 HA LEU 115 6.489 -9.564 -2.382 922 HB2 LEU 115 HB1 LEU 115 4.259 -7.817 -1.276 923 HB3 LEU 115 HB2 LEU 115 6.012 -7.596 -1.023 924 HG LEU 115 HG LEU 115 5.914 -7.564 -3.751 925 HD11 LEU 115 HD11 LEU 115 3.417 -7.700 -3.808 926 HD12 LEU 115 HD12 LEU 115 4.005 -6.162 -4.456 927 HD13 LEU 115 HD13 LEU 115 3.324 -6.230 -2.817 928 HD21 LEU 115 HD21 LEU 115 7.072 -5.930 -2.412 929 HD22 LEU 115 HD22 LEU 115 5.544 -5.248 -1.826 930 HD23 LEU 115 HD23 LEU 115 6.008 -5.073 -3.538 931 HA PRO 116 HA PRO 116 6.482 -12.071 1.174 932 HB2 PRO 116 HB1 PRO 116 8.389 -10.981 2.838 933 HB3 PRO 116 HB2 PRO 116 8.741 -11.885 1.332 934 HG2 PRO 116 HG1 PRO 116 8.527 -8.881 1.685 935 HG3 PRO 116 HG2 PRO 116 9.840 -9.807 0.873 936 HD2 PRO 116 HD1 PRO 116 7.860 -8.691 -0.584 937 HD3 PRO 116 HD2 PRO 116 8.424 -10.346 -0.964 938 H VAL 117 H VAL 117 5.678 -12.387 3.234 939 HA VAL 117 HA VAL 117 4.265 -10.202 4.612 940 HB VAL 117 HB VAL 117 4.600 -13.176 5.194 941 HG11 VAL 117 HG11 VAL 117 4.410 -12.010 7.324 942 HG12 VAL 117 HG12 VAL 117 3.015 -11.078 6.728 943 HG13 VAL 117 HG13 VAL 117 2.908 -12.841 6.963 944 HG21 VAL 117 HG21 VAL 117 3.068 -12.755 3.341 945 HG22 VAL 117 HG22 VAL 117 2.113 -13.200 4.765 946 HG23 VAL 117 HG23 VAL 117 2.228 -11.498 4.290 947 H GLU 118 H GLU 118 5.050 -9.187 6.393 948 HA GLU 118 HA GLU 118 7.298 -10.373 7.912 949 HB2 GLU 118 HB1 GLU 118 7.993 -8.546 6.138 950 HB3 GLU 118 HB2 GLU 118 7.327 -7.432 7.348 951 HG2 GLU 118 HG1 GLU 118 8.899 -8.846 8.983 952 HG3 GLU 118 HG2 GLU 118 9.765 -9.193 7.474 953 H ALA 119 H ALA 119 7.453 -9.356 10.121 954 HA ALA 119 HA ALA 119 4.693 -8.785 11.097 955 HB1 ALA 119 HB1 ALA 119 5.653 -10.993 11.706 956 HB2 ALA 119 HB2 ALA 119 7.025 -10.172 12.481 957 HB3 ALA 119 HB3 ALA 119 5.387 -9.953 13.125 958 H ARG 120 H ARG 120 4.432 -6.708 11.649 959 HA ARG 120 HA ARG 120 6.285 -5.442 13.539 960 HB2 ARG 120 HB1 ARG 120 5.499 -4.027 10.961 961 HB3 ARG 120 HB2 ARG 120 6.410 -3.323 12.321 962 HG2 ARG 120 HG1 ARG 120 8.211 -5.053 11.868 963 HG3 ARG 120 HG2 ARG 120 7.332 -5.454 10.369 964 HD2 ARG 120 HD1 ARG 120 7.468 -2.922 9.842 965 HD3 ARG 120 HD2 ARG 120 8.687 -2.844 11.128 966 HE ARG 120 HE ARG 120 9.369 -4.992 9.394 967 HH11 ARG 120 HH12 ARG 120 9.421 -1.527 9.251 968 HH12 ARG 120 HH11 ARG 120 10.428 -1.535 7.808 969 HH21 ARG 120 HH22 ARG 120 10.447 -4.954 7.569 970 HH22 ARG 120 HH21 ARG 120 10.966 -3.480 6.825 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 16.231 -5.098 -0.855 2 H2 GLY 1 2H GLY 1 17.496 -4.235 -0.348 3 H3 GLY 1 3H GLY 1 17.489 -5.895 -0.123 4 HA2 GLY 1 HA3 GLY 1 17.526 -4.485 -2.719 5 HA3 GLY 1 HA2 GLY 1 18.934 -5.279 -1.978 6 H SER 2 H SER 2 15.823 -5.731 -3.528 7 HA SER 2 HA SER 2 16.007 -8.705 -3.497 8 HB2 SER 2 HB1 SER 2 13.441 -7.724 -2.577 9 HB3 SER 2 HB2 SER 2 14.549 -8.875 -1.800 10 HG SER 2 HG SER 2 14.559 -6.015 -1.587 11 H PHE 3 H PHE 3 13.615 -9.465 -4.314 12 HA PHE 3 HA PHE 3 13.165 -8.348 -6.967 13 HB2 PHE 3 HB1 PHE 3 11.674 -10.475 -5.403 14 HB3 PHE 3 HB2 PHE 3 11.484 -10.126 -7.129 15 HD1 PHE 3 HD1 PHE 3 13.627 -10.357 -8.617 16 HD2 PHE 3 HD2 PHE 3 13.222 -12.106 -4.697 17 HE1 PHE 3 HE1 PHE 3 15.442 -11.967 -9.145 18 HE2 PHE 3 HE2 PHE 3 15.031 -13.716 -5.230 19 HZ PHE 3 HZ PHE 3 16.150 -13.646 -7.452 20 H THR 4 H THR 4 12.929 -6.291 -5.743 21 HA THR 4 HA THR 4 11.695 -4.374 -5.466 22 HB THR 4 HB THR 4 9.196 -6.026 -5.024 23 HG1 THR 4 HG1 THR 4 8.779 -5.170 -7.154 24 HG21 THR 4 HG21 THR 4 8.992 -3.798 -3.989 25 HG22 THR 4 HG22 THR 4 8.020 -3.890 -5.455 26 HG23 THR 4 HG23 THR 4 9.577 -3.044 -5.498 27 H GLU 5 H GLU 5 11.370 -3.215 -3.565 28 HA GLU 5 HA GLU 5 12.111 -4.701 -1.093 29 HB2 GLU 5 HB1 GLU 5 11.926 -1.715 -1.269 30 HB3 GLU 5 HB2 GLU 5 12.896 -2.707 -0.175 31 HG2 GLU 5 HG1 GLU 5 13.478 -2.456 -3.146 32 HG3 GLU 5 HG2 GLU 5 14.132 -1.344 -1.907 33 H GLY 6 H GLY 6 10.143 -5.579 -0.251 34 HA2 GLY 6 HA3 GLY 6 8.657 -3.632 1.258 35 HA3 GLY 6 HA2 GLY 6 7.674 -4.298 -0.066 36 H TRP 7 H TRP 7 6.683 -4.573 2.327 37 HA TRP 7 HA TRP 7 6.701 -7.421 2.905 38 HB2 TRP 7 HB1 TRP 7 7.210 -7.268 5.205 39 HB3 TRP 7 HB2 TRP 7 8.543 -6.527 4.351 40 HD1 TRP 7 HD TRP 7 6.468 -6.152 7.251 41 HE1 TRP 7 HE1 TRP 7 6.638 -3.833 8.340 42 HE3 TRP 7 3HE TRP 7 8.749 -3.582 3.432 43 HZ2 TRP 7 HZ2 TRP 7 7.376 -1.206 7.583 44 HZ3 TRP 7 HZ3 TRP 7 9.175 -1.158 3.658 45 HH2 TRP 7 HH TRP 7 8.478 0.062 5.716 46 H VAL 8 H VAL 8 4.830 -8.102 4.029 47 HA VAL 8 HA VAL 8 2.709 -6.007 4.437 48 HB VAL 8 HB VAL 8 2.271 -8.917 3.709 49 HG11 VAL 8 HG11 VAL 8 0.421 -8.031 5.045 50 HG12 VAL 8 HG12 VAL 8 0.364 -6.554 4.059 51 HG13 VAL 8 HG13 VAL 8 -0.106 -8.110 3.364 52 HG21 VAL 8 HG21 VAL 8 3.150 -7.810 1.743 53 HG22 VAL 8 HG22 VAL 8 1.398 -7.873 1.532 54 HG23 VAL 8 HG23 VAL 8 2.169 -6.362 2.039 55 H ARG 9 H ARG 9 1.725 -5.898 6.364 56 HA ARG 9 HA ARG 9 3.321 -6.848 8.503 57 HB2 ARG 9 HB1 ARG 9 2.321 -4.637 8.404 58 HB3 ARG 9 HB2 ARG 9 0.703 -5.344 8.577 59 HG2 ARG 9 HG1 ARG 9 1.211 -6.164 10.777 60 HG3 ARG 9 HG2 ARG 9 2.927 -5.757 10.626 61 HD2 ARG 9 HD1 ARG 9 2.526 -3.445 10.860 62 HD3 ARG 9 HD2 ARG 9 0.805 -3.612 10.410 63 HE ARG 9 HE ARG 9 0.402 -4.725 12.532 64 HH11 ARG 9 HH12 ARG 9 3.648 -3.243 12.502 65 HH12 ARG 9 HH11 ARG 9 3.601 -3.015 14.219 66 HH21 ARG 9 HH22 ARG 9 0.585 -4.680 14.659 67 HH22 ARG 9 HH21 ARG 9 1.930 -3.887 15.444 68 H PHE 10 H PHE 10 3.217 -8.670 9.655 69 HA PHE 10 HA PHE 10 0.702 -10.168 10.027 70 HB2 PHE 10 HB1 PHE 10 2.627 -11.517 10.161 71 HB3 PHE 10 HB2 PHE 10 3.450 -10.395 11.250 72 HD1 PHE 10 HD2 PHE 10 -0.030 -11.892 11.413 73 HD2 PHE 10 HD1 PHE 10 3.848 -11.546 13.270 74 HE1 PHE 10 HE2 PHE 10 -0.872 -13.086 13.394 75 HE2 PHE 10 HE1 PHE 10 3.004 -12.772 15.242 76 HZ PHE 10 HZ PHE 10 0.639 -13.541 15.322 77 H SER 11 H SER 11 -0.898 -9.596 11.398 78 HA SER 11 HA SER 11 -0.225 -8.922 14.116 79 HB2 SER 11 HB1 SER 11 -1.579 -6.972 12.246 80 HB3 SER 11 HB2 SER 11 -2.050 -7.038 13.955 81 HG SER 11 HG SER 11 0.671 -6.969 13.183 82 HA PRO 12 HA PRO 12 -4.036 -11.377 14.271 83 HB2 PRO 12 HB1 PRO 12 -4.179 -11.887 16.909 84 HB3 PRO 12 HB2 PRO 12 -2.828 -12.533 15.926 85 HG2 PRO 12 HG1 PRO 12 -2.842 -10.014 17.622 86 HG3 PRO 12 HG2 PRO 12 -1.635 -11.347 17.644 87 HD2 PRO 12 HD1 PRO 12 -1.291 -9.037 16.184 88 HD3 PRO 12 HD2 PRO 12 -0.677 -10.625 15.632 89 H GLY 13 H GLY 13 -5.009 -9.327 13.444 90 HA2 GLY 13 HA3 GLY 13 -6.916 -8.198 15.404 91 HA3 GLY 13 HA2 GLY 13 -5.863 -7.070 14.520 92 HA PRO 14 HA PRO 14 -9.699 -7.883 11.916 93 HB2 PRO 14 HB1 PRO 14 -11.083 -5.583 12.269 94 HB3 PRO 14 HB2 PRO 14 -11.160 -6.905 13.472 95 HG2 PRO 14 HG1 PRO 14 -9.376 -4.447 13.538 96 HG3 PRO 14 HG2 PRO 14 -10.459 -5.056 14.841 97 HD2 PRO 14 HD1 PRO 14 -7.786 -5.654 14.760 98 HD3 PRO 14 HD2 PRO 14 -8.995 -6.834 15.344 99 H ASN 15 H ASN 15 -7.017 -5.776 12.076 100 HA ASN 15 HA ASN 15 -7.218 -5.384 9.219 101 HB2 ASN 15 HB1 ASN 15 -6.662 -3.098 9.193 102 HB3 ASN 15 HB2 ASN 15 -8.037 -3.242 10.279 103 HD21 ASN 15 HD21 ASN 15 -7.787 -2.399 12.362 104 HD22 ASN 15 HD22 ASN 15 -6.245 -1.785 12.966 105 H ALA 16 H ALA 16 -5.168 -4.781 8.255 106 HA ALA 16 HA ALA 16 -2.727 -4.797 9.807 107 HB1 ALA 16 HB1 ALA 16 -3.165 -6.953 7.686 108 HB2 ALA 16 HB2 ALA 16 -1.625 -6.592 8.484 109 HB3 ALA 16 HB3 ALA 16 -2.982 -7.226 9.437 110 H ALA 17 H ALA 17 -0.812 -4.294 8.267 111 HA ALA 17 HA ALA 17 -1.775 -2.379 6.198 112 HB1 ALA 17 HB1 ALA 17 0.272 -1.096 6.746 113 HB2 ALA 17 HB2 ALA 17 -0.704 -1.343 8.204 114 HB3 ALA 17 HB3 ALA 17 0.726 -2.350 7.922 115 H ALA 18 H ALA 18 -0.582 -2.232 4.217 116 HA ALA 18 HA ALA 18 1.648 -4.206 3.851 117 HB1 ALA 18 HB1 ALA 18 1.058 -4.407 1.504 118 HB2 ALA 18 HB2 ALA 18 -0.376 -4.787 2.484 119 HB3 ALA 18 HB3 ALA 18 -0.216 -3.210 1.673 120 H TYR 19 H TYR 19 3.577 -3.450 3.159 121 HA TYR 19 HA TYR 19 3.860 -0.551 2.488 122 HB2 TYR 19 HB1 TYR 19 5.787 -2.191 4.120 123 HB3 TYR 19 HB2 TYR 19 5.702 -0.443 4.011 124 HD1 TYR 19 HD1 TYR 19 3.618 0.694 5.159 125 HD2 TYR 19 HD2 TYR 19 4.832 -3.369 5.852 126 HE1 TYR 19 HE1 TYR 19 2.532 0.742 7.410 127 HE2 TYR 19 HE2 TYR 19 3.993 -3.265 8.159 128 HH TYR 19 HH TYR 19 2.298 -0.328 9.429 129 H LEU 20 H LEU 20 5.244 -0.154 0.705 130 HA LEU 20 HA LEU 20 7.156 -2.095 -0.255 131 HB2 LEU 20 HB1 LEU 20 5.940 -2.826 -2.275 132 HB3 LEU 20 HB2 LEU 20 5.255 -3.431 -0.746 133 HG LEU 20 HG LEU 20 3.537 -1.499 -1.008 134 HD11 LEU 20 HD11 LEU 20 4.428 -1.770 -3.911 135 HD12 LEU 20 HD12 LEU 20 4.573 -0.303 -2.926 136 HD13 LEU 20 HD13 LEU 20 2.977 -0.923 -3.342 137 HD21 LEU 20 HD21 LEU 20 3.003 -3.898 -1.161 138 HD22 LEU 20 HD22 LEU 20 3.506 -3.910 -2.869 139 HD23 LEU 20 HD23 LEU 20 2.086 -2.969 -2.361 140 H THR 21 H THR 21 8.134 -1.683 -2.262 141 HA THR 21 HA THR 21 8.303 1.176 -2.987 142 HB THR 21 HB THR 21 9.644 -1.242 -4.253 143 HG1 THR 21 HG1 THR 21 10.158 -0.915 -2.048 144 HG21 THR 21 HG21 THR 21 11.287 0.408 -5.038 145 HG22 THR 21 HG22 THR 21 10.311 1.740 -4.373 146 HG23 THR 21 HG23 THR 21 9.714 0.752 -5.729 147 H LEU 22 H LEU 22 7.473 2.098 -4.813 148 HA LEU 22 HA LEU 22 6.304 0.391 -6.934 149 HB2 LEU 22 HB1 LEU 22 4.637 1.444 -5.242 150 HB3 LEU 22 HB2 LEU 22 5.055 2.989 -5.979 151 HG LEU 22 HG LEU 22 3.060 2.425 -6.972 152 HD11 LEU 22 HD11 LEU 22 4.975 1.154 -8.953 153 HD12 LEU 22 HD12 LEU 22 4.837 2.906 -8.686 154 HD13 LEU 22 HD13 LEU 22 3.449 1.989 -9.301 155 HD21 LEU 22 HD21 LEU 22 4.004 -0.450 -7.322 156 HD22 LEU 22 HD22 LEU 22 2.403 0.211 -7.738 157 HD23 LEU 22 HD23 LEU 22 2.910 0.135 -6.050 158 H GLU 23 H GLU 23 7.223 0.953 -8.834 159 HA GLU 23 HA GLU 23 7.920 3.707 -9.414 160 HB2 GLU 23 HB1 GLU 23 10.246 3.367 -9.924 161 HB3 GLU 23 HB2 GLU 23 9.892 3.037 -8.208 162 HG2 GLU 23 HG1 GLU 23 9.901 0.560 -8.829 163 HG3 GLU 23 HG2 GLU 23 10.608 1.058 -10.382 164 H ASN 24 H ASN 24 8.334 4.170 -11.521 165 HA ASN 24 HA ASN 24 6.810 2.320 -13.274 166 HB2 ASN 24 HB1 ASN 24 5.805 4.467 -12.612 167 HB3 ASN 24 HB2 ASN 24 7.152 5.337 -13.364 168 HD21 ASN 24 HD21 ASN 24 5.363 6.340 -14.623 169 HD22 ASN 24 HD22 ASN 24 4.899 5.523 -16.112 170 HA PRO 25 HA PRO 25 10.595 2.507 -15.842 171 HB2 PRO 25 HB1 PRO 25 10.264 0.198 -17.253 172 HB3 PRO 25 HB2 PRO 25 10.795 0.188 -15.542 173 HG2 PRO 25 HG1 PRO 25 7.976 -0.179 -16.605 174 HG3 PRO 25 HG2 PRO 25 8.853 -1.224 -15.433 175 HD2 PRO 25 HD1 PRO 25 7.115 0.738 -14.637 176 HD3 PRO 25 HD2 PRO 25 8.589 0.358 -13.703 177 H GLY 26 H GLY 26 7.229 2.720 -16.613 178 HA2 GLY 26 HA3 GLY 26 7.324 2.575 -19.457 179 HA3 GLY 26 HA2 GLY 26 6.009 3.214 -18.444 180 H ASP 27 H ASP 27 6.461 4.316 -20.854 181 HA ASP 27 HA ASP 27 8.082 6.756 -20.810 182 HB2 ASP 27 HB1 ASP 27 7.045 7.047 -23.010 183 HB3 ASP 27 HB2 ASP 27 7.700 5.405 -22.859 184 H LEU 28 H LEU 28 4.709 5.788 -20.392 185 HA LEU 28 HA LEU 28 3.872 8.558 -19.779 186 HB2 LEU 28 HB1 LEU 28 1.630 7.744 -20.218 187 HB3 LEU 28 HB2 LEU 28 2.763 7.364 -21.553 188 HG LEU 28 HG LEU 28 2.855 4.988 -20.620 189 HD11 LEU 28 HD11 LEU 28 0.750 4.318 -19.339 190 HD12 LEU 28 HD12 LEU 28 0.496 6.047 -18.993 191 HD13 LEU 28 HD13 LEU 28 1.934 5.197 -18.389 192 HD21 LEU 28 HD21 LEU 28 0.731 4.381 -21.724 193 HD22 LEU 28 HD22 LEU 28 1.585 5.634 -22.633 194 HD23 LEU 28 HD23 LEU 28 0.186 6.073 -21.626 195 HA PRO 29 HA PRO 29 3.680 7.913 -15.525 196 HB2 PRO 29 HB1 PRO 29 1.596 9.358 -14.548 197 HB3 PRO 29 HB2 PRO 29 2.967 10.112 -15.412 198 HG2 PRO 29 HG1 PRO 29 0.262 9.352 -16.526 199 HG3 PRO 29 HG2 PRO 29 1.159 10.895 -16.746 200 HD2 PRO 29 HD1 PRO 29 1.180 8.844 -18.590 201 HD3 PRO 29 HD2 PRO 29 2.573 9.923 -18.365 202 H LEU 30 H LEU 30 2.635 6.961 -13.578 203 HA LEU 30 HA LEU 30 0.442 5.014 -14.143 204 HB2 LEU 30 HB1 LEU 30 2.546 5.015 -11.982 205 HB3 LEU 30 HB2 LEU 30 1.188 3.888 -12.062 206 HG LEU 30 HG LEU 30 3.420 4.236 -13.996 207 HD11 LEU 30 HD11 LEU 30 2.587 1.855 -12.319 208 HD12 LEU 30 HD12 LEU 30 3.890 2.987 -11.878 209 HD13 LEU 30 HD13 LEU 30 4.062 1.948 -13.312 210 HD21 LEU 30 HD21 LEU 30 1.113 2.328 -14.356 211 HD22 LEU 30 HD22 LEU 30 2.658 2.269 -15.252 212 HD23 LEU 30 HD23 LEU 30 1.610 3.668 -15.434 213 H ARG 31 H ARG 31 -1.209 4.975 -12.840 214 HA ARG 31 HA ARG 31 -1.396 6.731 -10.453 215 HB2 ARG 31 HB1 ARG 31 -2.590 7.970 -12.201 216 HB3 ARG 31 HB2 ARG 31 -3.637 6.567 -12.495 217 HG2 ARG 31 HG1 ARG 31 -4.594 6.727 -10.300 218 HG3 ARG 31 HG2 ARG 31 -3.417 7.933 -9.775 219 HD2 ARG 31 HD1 ARG 31 -5.327 8.498 -12.048 220 HD3 ARG 31 HD2 ARG 31 -5.794 8.688 -10.334 221 HE ARG 31 HE ARG 31 -3.329 10.120 -11.087 222 HH11 ARG 31 HH12 ARG 31 -6.831 10.460 -10.748 223 HH12 ARG 31 HH11 ARG 31 -6.701 12.194 -10.613 224 HH21 ARG 31 HH22 ARG 31 -3.229 12.201 -10.698 225 HH22 ARG 31 HH21 ARG 31 -4.640 13.191 -10.522 226 H LEU 32 H LEU 32 -1.468 5.328 -8.891 227 HA LEU 32 HA LEU 32 -2.371 2.527 -9.198 228 HB2 LEU 32 HB1 LEU 32 -0.212 3.005 -8.157 229 HB3 LEU 32 HB2 LEU 32 -0.986 4.108 -6.993 230 HG LEU 32 HG LEU 32 -2.230 2.119 -6.051 231 HD11 LEU 32 HD11 LEU 32 -2.043 0.585 -8.011 232 HD12 LEU 32 HD12 LEU 32 -1.382 -0.137 -6.543 233 HD13 LEU 32 HD13 LEU 32 -0.286 0.516 -7.776 234 HD21 LEU 32 HD21 LEU 32 -0.269 1.271 -4.810 235 HD22 LEU 32 HD22 LEU 32 -0.182 3.029 -5.003 236 HD23 LEU 32 HD23 LEU 32 0.815 1.976 -6.025 237 H VAL 33 H VAL 33 -4.523 2.291 -9.020 238 HA VAL 33 HA VAL 33 -6.087 4.214 -7.346 239 HB VAL 33 HB VAL 33 -8.084 3.415 -8.567 240 HG11 VAL 33 HG11 VAL 33 -5.853 4.335 -10.431 241 HG12 VAL 33 HG12 VAL 33 -7.597 4.499 -10.704 242 HG13 VAL 33 HG13 VAL 33 -6.826 5.386 -9.382 243 HG21 VAL 33 HG21 VAL 33 -6.189 1.849 -10.371 244 HG22 VAL 33 HG22 VAL 33 -7.295 1.114 -9.184 245 HG23 VAL 33 HG23 VAL 33 -7.936 2.032 -10.553 246 H GLY 34 H GLY 34 -4.937 0.985 -7.268 247 HA2 GLY 34 HA3 GLY 34 -5.754 0.552 -4.631 248 HA3 GLY 34 HA2 GLY 34 -6.960 -0.252 -5.660 249 H ALA 35 H ALA 35 -6.151 -2.208 -4.511 250 HA ALA 35 HA ALA 35 -4.436 -3.579 -6.357 251 HB1 ALA 35 HB1 ALA 35 -3.609 -3.673 -3.433 252 HB2 ALA 35 HB2 ALA 35 -2.833 -4.451 -4.846 253 HB3 ALA 35 HB3 ALA 35 -2.788 -2.702 -4.678 254 H ARG 36 H ARG 36 -4.356 -6.063 -5.598 255 HA ARG 36 HA ARG 36 -6.947 -6.915 -4.390 256 HB2 ARG 36 HB1 ARG 36 -7.471 -6.663 -6.690 257 HB3 ARG 36 HB2 ARG 36 -5.869 -7.205 -7.214 258 HG2 ARG 36 HG1 ARG 36 -6.566 -9.477 -6.154 259 HG3 ARG 36 HG2 ARG 36 -8.206 -8.843 -6.232 260 HD2 ARG 36 HD1 ARG 36 -6.263 -9.427 -8.499 261 HD3 ARG 36 HD2 ARG 36 -7.829 -10.196 -8.199 262 HE ARG 36 HE ARG 36 -8.689 -7.756 -8.664 263 HH11 ARG 36 HH12 ARG 36 -5.937 -9.246 -10.400 264 HH12 ARG 36 HH11 ARG 36 -6.192 -8.257 -11.790 265 HH21 ARG 36 HH22 ARG 36 -8.968 -6.575 -10.546 266 HH22 ARG 36 HH21 ARG 36 -7.895 -6.813 -11.893 267 H THR 37 H THR 37 -6.505 -8.626 -3.014 268 HA THR 37 HA THR 37 -3.979 -10.205 -3.352 269 HB THR 37 HB THR 37 -3.395 -8.353 -2.043 270 HG1 THR 37 HG1 THR 37 -2.467 -10.212 -1.481 271 HG21 THR 37 HG21 THR 37 -5.580 -9.108 -0.075 272 HG22 THR 37 HG22 THR 37 -5.487 -7.605 -1.016 273 HG23 THR 37 HG23 THR 37 -4.270 -7.948 0.223 274 HA PRO 38 HA PRO 38 -6.885 -13.305 -1.732 275 HB2 PRO 38 HB1 PRO 38 -5.294 -15.408 -1.216 276 HB3 PRO 38 HB2 PRO 38 -5.515 -14.735 -2.873 277 HG2 PRO 38 HG1 PRO 38 -3.228 -14.170 -0.991 278 HG3 PRO 38 HG2 PRO 38 -3.137 -14.758 -2.694 279 HD2 PRO 38 HD1 PRO 38 -3.007 -12.096 -2.011 280 HD3 PRO 38 HD2 PRO 38 -3.728 -12.645 -3.538 281 H VAL 39 H VAL 39 -4.552 -11.732 0.108 282 HA VAL 39 HA VAL 39 -5.307 -13.090 2.640 283 HB VAL 39 HB VAL 39 -3.436 -12.201 3.687 284 HG11 VAL 39 HG11 VAL 39 -1.589 -12.831 2.328 285 HG12 VAL 39 HG12 VAL 39 -2.947 -13.835 1.810 286 HG13 VAL 39 HG13 VAL 39 -2.447 -12.448 0.823 287 HG21 VAL 39 HG21 VAL 39 -3.389 -10.012 1.590 288 HG22 VAL 39 HG22 VAL 39 -3.512 -9.863 3.345 289 HG23 VAL 39 HG23 VAL 39 -1.987 -10.370 2.612 290 H ALA 40 H ALA 40 -6.705 -10.490 1.122 291 HA ALA 40 HA ALA 40 -7.606 -9.290 3.705 292 HB1 ALA 40 HB1 ALA 40 -5.832 -7.896 2.530 293 HB2 ALA 40 HB2 ALA 40 -6.998 -7.688 1.197 294 HB3 ALA 40 HB3 ALA 40 -7.394 -7.079 2.810 295 H GLU 41 H GLU 41 -9.777 -8.582 3.738 296 HA GLU 41 HA GLU 41 -11.472 -9.788 1.653 297 HB2 GLU 41 HB1 GLU 41 -11.778 -10.000 4.217 298 HB3 GLU 41 HB2 GLU 41 -12.412 -8.356 4.181 299 HG2 GLU 41 HG1 GLU 41 -14.236 -9.983 4.079 300 HG3 GLU 41 HG2 GLU 41 -14.157 -9.083 2.554 301 H ARG 42 H ARG 42 -11.749 -6.663 3.391 302 HA ARG 42 HA ARG 42 -12.120 -5.232 0.798 303 HB2 ARG 42 HB1 ARG 42 -13.753 -4.815 2.614 304 HB3 ARG 42 HB2 ARG 42 -12.434 -4.270 3.656 305 HG2 ARG 42 HG1 ARG 42 -12.045 -2.685 1.452 306 HG3 ARG 42 HG2 ARG 42 -13.804 -2.894 1.385 307 HD2 ARG 42 HD1 ARG 42 -12.172 -1.833 3.730 308 HD3 ARG 42 HD2 ARG 42 -13.215 -0.880 2.653 309 HE ARG 42 HE ARG 42 -14.805 -2.903 3.811 310 HH11 ARG 42 HH12 ARG 42 -13.027 -0.029 4.884 311 HH12 ARG 42 HH11 ARG 42 -14.038 0.226 6.267 312 HH21 ARG 42 HH22 ARG 42 -16.149 -2.486 5.584 313 HH22 ARG 42 HH21 ARG 42 -15.803 -1.142 6.639 314 H VAL 43 H VAL 43 -10.377 -4.266 -0.046 315 HA VAL 43 HA VAL 43 -8.041 -3.540 1.665 316 HB VAL 43 HB VAL 43 -7.337 -5.210 0.164 317 HG11 VAL 43 HG11 VAL 43 -9.142 -5.139 -1.530 318 HG12 VAL 43 HG12 VAL 43 -8.444 -3.643 -2.196 319 HG13 VAL 43 HG13 VAL 43 -7.533 -5.172 -2.241 320 HG21 VAL 43 HG21 VAL 43 -6.420 -2.600 -1.109 321 HG22 VAL 43 HG22 VAL 43 -5.822 -3.221 0.441 322 HG23 VAL 43 HG23 VAL 43 -5.553 -4.146 -1.049 323 H GLU 44 H GLU 44 -7.354 -1.483 1.674 324 HA GLU 44 HA GLU 44 -8.554 0.583 -0.149 325 HB2 GLU 44 HB1 GLU 44 -8.147 0.685 2.874 326 HB3 GLU 44 HB2 GLU 44 -8.627 2.062 1.856 327 HG2 GLU 44 HG1 GLU 44 -10.754 1.000 1.355 328 HG3 GLU 44 HG2 GLU 44 -10.278 -0.469 2.232 329 H LEU 45 H LEU 45 -6.810 2.041 -0.974 330 HA LEU 45 HA LEU 45 -4.225 1.883 0.382 331 HB2 LEU 45 HB1 LEU 45 -4.533 1.926 -2.111 332 HB3 LEU 45 HB2 LEU 45 -5.125 3.584 -1.981 333 HG LEU 45 HG LEU 45 -2.490 2.866 -0.662 334 HD11 LEU 45 HD11 LEU 45 -2.339 1.850 -2.873 335 HD12 LEU 45 HD12 LEU 45 -1.296 3.282 -2.760 336 HD13 LEU 45 HD13 LEU 45 -2.869 3.352 -3.635 337 HD21 LEU 45 HD21 LEU 45 -1.857 5.112 -1.400 338 HD22 LEU 45 HD22 LEU 45 -3.395 5.200 -0.532 339 HD23 LEU 45 HD23 LEU 45 -3.380 5.255 -2.319 340 H HIS 46 H HIS 46 -3.644 3.137 1.971 341 HA HIS 46 HA HIS 46 -5.040 5.700 2.477 342 HB2 HIS 46 HB1 HIS 46 -3.671 3.743 4.329 343 HB3 HIS 46 HB2 HIS 46 -4.027 5.415 4.814 344 HD2 HIS 46 HD2 HIS 46 -6.848 3.572 2.902 345 HE1 HIS 46 HE1 HIS 46 -7.957 3.705 6.976 346 HE2 HIS 46 HE2 HIS 46 -8.704 3.016 4.629 347 H GLU 47 H GLU 47 -3.949 7.418 3.213 348 HA GLU 47 HA GLU 47 -1.071 7.820 2.529 349 HB2 GLU 47 HB1 GLU 47 -1.631 10.228 2.526 350 HB3 GLU 47 HB2 GLU 47 -2.586 9.354 1.310 351 HG2 GLU 47 HG1 GLU 47 -4.553 9.481 2.574 352 HG3 GLU 47 HG2 GLU 47 -3.719 9.866 4.082 353 H THR 48 H THR 48 -0.178 9.631 4.025 354 HA THR 48 HA THR 48 -1.401 9.728 6.747 355 HB THR 48 HB THR 48 1.587 9.765 6.189 356 HG1 THR 48 HG1 THR 48 -0.077 7.797 6.272 357 HG21 THR 48 HG21 THR 48 -0.040 9.706 8.774 358 HG22 THR 48 HG22 THR 48 0.921 11.077 8.174 359 HG23 THR 48 HG23 THR 48 1.730 9.581 8.665 360 H PHE 49 H PHE 49 -2.269 11.701 6.741 361 HA PHE 49 HA PHE 49 -1.026 13.885 5.173 362 HB2 PHE 49 HB1 PHE 49 -3.083 15.080 5.469 363 HB3 PHE 49 HB2 PHE 49 -3.437 13.462 4.866 364 HD1 PHE 49 HD1 PHE 49 -4.574 11.819 6.286 365 HD2 PHE 49 HD2 PHE 49 -3.778 15.784 7.740 366 HE1 PHE 49 HE1 PHE 49 -6.192 11.470 8.150 367 HE2 PHE 49 HE2 PHE 49 -5.402 15.444 9.577 368 HZ PHE 49 HZ PHE 49 -6.615 13.286 9.762 369 H MET 50 H MET 50 -0.847 15.970 6.096 370 HA MET 50 HA MET 50 -1.087 16.199 9.045 371 HB2 MET 50 HB1 MET 50 1.113 17.330 7.311 372 HB3 MET 50 HB2 MET 50 0.629 18.145 8.823 373 HG2 MET 50 HG1 MET 50 1.008 16.125 10.099 374 HG3 MET 50 HG2 MET 50 1.440 15.216 8.654 375 HE1 MET 50 HE1 MET 50 3.408 16.795 6.951 376 HE2 MET 50 HE2 MET 50 4.937 16.334 7.728 377 HE3 MET 50 HE3 MET 50 3.638 15.137 7.557 378 H ARG 51 H ARG 51 -1.530 18.414 9.703 379 HA ARG 51 HA ARG 51 -2.749 20.428 8.122 380 HB2 ARG 51 HB1 ARG 51 -4.454 18.125 8.888 381 HB3 ARG 51 HB2 ARG 51 -5.119 19.690 9.403 382 HG2 ARG 51 HG1 ARG 51 -5.535 20.390 7.284 383 HG3 ARG 51 HG2 ARG 51 -4.142 19.559 6.579 384 HD2 ARG 51 HD1 ARG 51 -5.371 17.375 6.942 385 HD3 ARG 51 HD2 ARG 51 -6.792 18.322 7.417 386 HE ARG 51 HE ARG 51 -7.167 18.842 5.190 387 HH11 ARG 51 HH12 ARG 51 -3.833 17.617 5.394 388 HH12 ARG 51 HH11 ARG 51 -3.779 17.249 3.699 389 HH21 ARG 51 HH22 ARG 51 -6.948 18.498 2.979 390 HH22 ARG 51 HH21 ARG 51 -5.474 17.830 2.348 391 H GLU 52 H GLU 52 -3.836 22.034 9.511 392 HA GLU 52 HA GLU 52 -2.895 22.037 12.330 393 HB2 GLU 52 HB1 GLU 52 -3.738 24.152 10.383 394 HB3 GLU 52 HB2 GLU 52 -4.071 24.390 12.131 395 HG2 GLU 52 HG1 GLU 52 -2.027 25.423 11.812 396 HG3 GLU 52 HG2 GLU 52 -1.622 23.874 12.550 397 H VAL 53 H VAL 53 -4.338 22.043 13.976 398 HA VAL 53 HA VAL 53 -7.227 21.609 13.289 399 HB VAL 53 HB VAL 53 -5.893 19.743 14.325 400 HG11 VAL 53 HG11 VAL 53 -5.583 19.769 16.734 401 HG12 VAL 53 HG12 VAL 53 -4.752 21.166 16.005 402 HG13 VAL 53 HG13 VAL 53 -6.304 21.381 16.842 403 HG21 VAL 53 HG21 VAL 53 -7.741 18.911 15.641 404 HG22 VAL 53 HG22 VAL 53 -8.445 20.532 15.779 405 HG23 VAL 53 HG23 VAL 53 -8.361 19.727 14.195 406 H GLU 54 H GLU 54 -5.184 23.767 14.814 407 HA GLU 54 HA GLU 54 -7.145 25.534 16.016 408 HB2 GLU 54 HB1 GLU 54 -6.984 23.522 17.507 409 HB3 GLU 54 HB2 GLU 54 -5.249 23.780 17.640 410 HG2 GLU 54 HG1 GLU 54 -6.650 26.216 18.335 411 HG3 GLU 54 HG2 GLU 54 -7.408 24.866 19.196 412 H GLY 55 H GLY 55 -4.962 25.696 13.971 413 HA2 GLY 55 HA3 GLY 55 -2.987 26.840 13.481 414 HA3 GLY 55 HA2 GLY 55 -2.985 27.518 15.125 415 H LYS 56 H LYS 56 -3.246 24.675 16.190 416 HA LYS 56 HA LYS 56 -0.418 23.920 16.284 417 HB2 LYS 56 HB1 LYS 56 -2.984 23.041 17.611 418 HB3 LYS 56 HB2 LYS 56 -1.514 22.038 17.728 419 HG2 LYS 56 HG1 LYS 56 -1.812 23.449 19.690 420 HG3 LYS 56 HG2 LYS 56 -0.308 23.820 18.823 421 HD2 LYS 56 HD1 LYS 56 -1.157 25.896 18.041 422 HD3 LYS 56 HD2 LYS 56 -2.824 25.489 18.491 423 HE2 LYS 56 HE1 LYS 56 -0.627 25.636 20.579 424 HE3 LYS 56 HE2 LYS 56 -1.489 27.100 20.039 425 HZ1 LYS 56 HZ1 LYS 56 -2.474 25.813 22.040 426 HZ2 LYS 56 HZ2 LYS 56 -3.074 24.776 20.870 427 HZ3 LYS 56 HZ3 LYS 56 -3.501 26.263 20.832 428 H LYS 57 H LYS 57 0.524 22.239 15.298 429 HA LYS 57 HA LYS 57 -0.755 21.129 12.942 430 HB2 LYS 57 HB1 LYS 57 2.014 21.181 14.083 431 HB3 LYS 57 HB2 LYS 57 1.616 19.908 12.893 432 HG2 LYS 57 HG1 LYS 57 0.898 21.445 11.276 433 HG3 LYS 57 HG2 LYS 57 0.775 22.771 12.458 434 HD2 LYS 57 HD1 LYS 57 3.365 22.585 12.593 435 HD3 LYS 57 HD2 LYS 57 3.248 21.692 11.072 436 HE2 LYS 57 HE1 LYS 57 1.829 24.341 11.625 437 HE3 LYS 57 HE2 LYS 57 3.414 24.305 10.888 438 HZ1 LYS 57 HZ1 LYS 57 0.984 22.996 9.776 439 HZ2 LYS 57 HZ2 LYS 57 2.412 23.262 8.939 440 HZ3 LYS 57 HZ3 LYS 57 1.352 24.466 9.435 441 H VAL 58 H VAL 58 -1.495 19.129 12.599 442 HA VAL 58 HA VAL 58 -1.159 16.919 14.577 443 HB VAL 58 HB VAL 58 -3.714 17.805 13.196 444 HG11 VAL 58 HG11 VAL 58 -4.828 15.964 14.502 445 HG12 VAL 58 HG12 VAL 58 -3.756 15.376 13.239 446 HG13 VAL 58 HG13 VAL 58 -3.218 15.351 14.936 447 HG21 VAL 58 HG21 VAL 58 -3.268 19.169 15.172 448 HG22 VAL 58 HG22 VAL 58 -4.568 18.030 15.550 449 HG23 VAL 58 HG23 VAL 58 -2.925 17.717 16.143 450 H MET 59 H MET 59 -1.231 14.827 13.628 451 HA MET 59 HA MET 59 -0.999 14.605 10.664 452 HB2 MET 59 HB1 MET 59 1.213 14.472 11.840 453 HB3 MET 59 HB2 MET 59 0.588 13.121 12.801 454 HG2 MET 59 HG1 MET 59 0.116 12.348 10.156 455 HG3 MET 59 HG2 MET 59 1.680 13.186 10.074 456 HE1 MET 59 HE1 MET 59 -0.303 10.057 11.137 457 HE2 MET 59 HE2 MET 59 0.699 9.319 12.397 458 HE3 MET 59 HE3 MET 59 -0.141 10.848 12.724 459 H GLY 60 H GLY 60 -2.072 12.759 9.793 460 HA2 GLY 60 HA3 GLY 60 -2.995 10.647 11.584 461 HA3 GLY 60 HA2 GLY 60 -4.307 11.607 10.863 462 H MET 61 H MET 61 -4.057 8.857 10.409 463 HA MET 61 HA MET 61 -3.188 8.625 7.568 464 HB2 MET 61 HB1 MET 61 -4.033 6.562 9.625 465 HB3 MET 61 HB2 MET 61 -3.816 6.206 7.881 466 HG2 MET 61 HG1 MET 61 -1.812 5.572 8.827 467 HG3 MET 61 HG2 MET 61 -1.479 7.132 8.086 468 HE1 MET 61 HE1 MET 61 1.032 6.964 11.024 469 HE2 MET 61 HE2 MET 61 0.460 5.635 9.988 470 HE3 MET 61 HE3 MET 61 0.795 7.233 9.286 471 H ARG 62 H ARG 62 -4.670 7.629 6.029 472 HA ARG 62 HA ARG 62 -7.554 7.923 6.384 473 HB2 ARG 62 HB1 ARG 62 -6.154 10.267 6.229 474 HB3 ARG 62 HB2 ARG 62 -6.453 9.977 4.516 475 HG2 ARG 62 HG1 ARG 62 -8.921 9.799 5.077 476 HG3 ARG 62 HG2 ARG 62 -8.521 10.223 6.758 477 HD2 ARG 62 HD1 ARG 62 -9.287 12.202 5.461 478 HD3 ARG 62 HD2 ARG 62 -7.613 12.387 6.030 479 HE ARG 62 HE ARG 62 -6.827 12.291 3.828 480 HH11 ARG 62 HH12 ARG 62 -10.206 11.190 3.681 481 HH12 ARG 62 HH11 ARG 62 -9.933 10.600 2.062 482 HH21 ARG 62 HH22 ARG 62 -6.664 11.695 1.910 483 HH22 ARG 62 HH21 ARG 62 -7.937 10.834 1.071 484 HA PRO 63 HA PRO 63 -6.984 5.805 2.373 485 HB2 PRO 63 HB1 PRO 63 -9.614 5.668 1.517 486 HB3 PRO 63 HB2 PRO 63 -8.785 4.456 2.506 487 HG2 PRO 63 HG1 PRO 63 -10.712 6.537 3.324 488 HG3 PRO 63 HG2 PRO 63 -10.362 4.974 4.121 489 HD2 PRO 63 HD1 PRO 63 -9.521 7.536 4.971 490 HD3 PRO 63 HD2 PRO 63 -8.802 5.994 5.498 491 H VAL 64 H VAL 64 -6.878 6.319 0.227 492 HA VAL 64 HA VAL 64 -7.959 8.965 -0.662 493 HB VAL 64 HB VAL 64 -5.906 9.024 -2.241 494 HG11 VAL 64 HG11 VAL 64 -6.320 10.725 -0.595 495 HG12 VAL 64 HG12 VAL 64 -5.684 9.696 0.704 496 HG13 VAL 64 HG13 VAL 64 -4.595 10.317 -0.557 497 HG21 VAL 64 HG21 VAL 64 -4.625 7.393 -0.003 498 HG22 VAL 64 HG22 VAL 64 -4.966 6.805 -1.649 499 HG23 VAL 64 HG23 VAL 64 -3.807 8.124 -1.393 500 HA PRO 65 HA PRO 65 -9.545 6.553 -4.006 501 HB2 PRO 65 HB1 PRO 65 -9.891 8.391 -5.993 502 HB3 PRO 65 HB2 PRO 65 -10.862 8.395 -4.487 503 HG2 PRO 65 HG1 PRO 65 -8.385 10.034 -5.101 504 HG3 PRO 65 HG2 PRO 65 -9.962 10.615 -4.456 505 HD2 PRO 65 HD1 PRO 65 -7.849 10.070 -2.818 506 HD3 PRO 65 HD2 PRO 65 -9.525 9.685 -2.329 507 H PHE 66 H PHE 66 -6.350 7.890 -4.177 508 HA PHE 66 HA PHE 66 -5.383 5.831 -5.783 509 HB2 PHE 66 HB1 PHE 66 -4.591 7.094 -7.750 510 HB3 PHE 66 HB2 PHE 66 -6.345 6.963 -7.722 511 HD1 PHE 66 HD2 PHE 66 -3.451 9.252 -7.424 512 HD2 PHE 66 HD1 PHE 66 -7.749 8.957 -7.384 513 HE1 PHE 66 HE2 PHE 66 -3.616 11.718 -7.582 514 HE2 PHE 66 HE1 PHE 66 -7.916 11.434 -7.522 515 HZ PHE 66 HZ PHE 66 -5.842 12.816 -7.598 516 H LEU 67 H LEU 67 -3.160 5.936 -6.068 517 HA LEU 67 HA LEU 67 -1.675 8.325 -5.132 518 HB2 LEU 67 HB1 LEU 67 -1.159 5.444 -4.667 519 HB3 LEU 67 HB2 LEU 67 0.215 6.254 -5.443 520 HG LEU 67 HG LEU 67 -1.081 7.013 -2.798 521 HD11 LEU 67 HD11 LEU 67 1.638 5.836 -3.617 522 HD12 LEU 67 HD12 LEU 67 0.340 4.957 -2.777 523 HD13 LEU 67 HD13 LEU 67 1.196 6.275 -1.964 524 HD21 LEU 67 HD21 LEU 67 1.249 8.292 -4.329 525 HD22 LEU 67 HD22 LEU 67 0.954 8.548 -2.601 526 HD23 LEU 67 HD23 LEU 67 -0.241 9.096 -3.771 527 H GLU 68 H GLU 68 0.471 8.434 -6.585 528 HA GLU 68 HA GLU 68 0.242 7.245 -9.185 529 HB2 GLU 68 HB1 GLU 68 -0.282 9.016 -10.564 530 HB3 GLU 68 HB2 GLU 68 -1.523 9.036 -9.310 531 HG2 GLU 68 HG1 GLU 68 -0.203 10.917 -8.206 532 HG3 GLU 68 HG2 GLU 68 0.797 10.946 -9.676 533 H VAL 69 H VAL 69 1.845 7.999 -10.715 534 HA VAL 69 HA VAL 69 4.306 8.961 -9.425 535 HB VAL 69 HB VAL 69 4.258 6.207 -10.776 536 HG11 VAL 69 HG11 VAL 69 6.284 7.489 -8.874 537 HG12 VAL 69 HG12 VAL 69 6.415 5.878 -9.607 538 HG13 VAL 69 HG13 VAL 69 6.480 7.315 -10.627 539 HG21 VAL 69 HG21 VAL 69 2.868 5.864 -8.831 540 HG22 VAL 69 HG22 VAL 69 4.449 5.142 -8.553 541 HG23 VAL 69 HG23 VAL 69 4.056 6.692 -7.789 542 HA PRO 70 HA PRO 70 4.745 10.197 -13.746 543 HB2 PRO 70 HB1 PRO 70 7.202 11.384 -13.693 544 HB3 PRO 70 HB2 PRO 70 5.741 12.134 -12.982 545 HG2 PRO 70 HG1 PRO 70 7.894 10.529 -11.571 546 HG3 PRO 70 HG2 PRO 70 7.198 12.115 -11.081 547 HD2 PRO 70 HD1 PRO 70 6.337 9.734 -10.024 548 HD3 PRO 70 HD2 PRO 70 5.216 11.096 -10.311 549 HA PRO 71 HA PRO 71 7.222 6.962 -15.629 550 HB2 PRO 71 HB1 PRO 71 8.313 8.193 -17.832 551 HB3 PRO 71 HB2 PRO 71 6.613 7.635 -17.696 552 HG2 PRO 71 HG1 PRO 71 7.699 10.421 -17.335 553 HG3 PRO 71 HG2 PRO 71 6.181 9.896 -18.162 554 HD2 PRO 71 HD1 PRO 71 6.202 10.896 -15.626 555 HD3 PRO 71 HD2 PRO 71 5.046 9.656 -16.167 556 H LYS 72 H LYS 72 9.107 6.089 -15.189 557 HA LYS 72 HA LYS 72 11.190 5.727 -14.471 558 HB2 LYS 72 HB1 LYS 72 12.019 8.572 -14.940 559 HB3 LYS 72 HB2 LYS 72 12.997 7.095 -15.013 560 HG2 LYS 72 HG1 LYS 72 10.963 8.110 -17.018 561 HG3 LYS 72 HG2 LYS 72 12.717 7.957 -17.187 562 HD2 LYS 72 HD1 LYS 72 12.477 5.476 -17.186 563 HD3 LYS 72 HD2 LYS 72 10.714 5.664 -16.984 564 HE2 LYS 72 HE1 LYS 72 10.973 7.221 -19.122 565 HE3 LYS 72 HE2 LYS 72 12.439 6.272 -19.387 566 HZ1 LYS 72 HZ1 LYS 72 10.531 5.249 -20.489 567 HZ2 LYS 72 HZ2 LYS 72 9.664 5.272 -19.103 568 HZ3 LYS 72 HZ3 LYS 72 10.916 4.263 -19.211 569 H GLY 73 H GLY 73 9.082 7.549 -12.933 570 HA2 GLY 73 HA3 GLY 73 10.617 8.455 -10.632 571 HA3 GLY 73 HA2 GLY 73 8.866 8.610 -10.904 572 H ARG 74 H ARG 74 10.106 7.879 -8.689 573 HA ARG 74 HA ARG 74 9.011 5.184 -8.045 574 HB2 ARG 74 HB1 ARG 74 11.417 4.889 -8.200 575 HB3 ARG 74 HB2 ARG 74 11.716 6.331 -7.203 576 HG2 ARG 74 HG1 ARG 74 10.942 5.203 -5.216 577 HG3 ARG 74 HG2 ARG 74 10.381 3.799 -6.142 578 HD2 ARG 74 HD1 ARG 74 12.657 3.258 -6.813 579 HD3 ARG 74 HD2 ARG 74 13.274 4.746 -6.062 580 HE ARG 74 HE ARG 74 12.491 3.704 -3.847 581 HH11 ARG 74 HH12 ARG 74 13.292 1.457 -6.484 582 HH12 ARG 74 HH11 ARG 74 14.227 0.464 -5.435 583 HH21 ARG 74 HH22 ARG 74 13.345 2.285 -2.579 584 HH22 ARG 74 HH21 ARG 74 14.126 0.821 -3.178 585 H VAL 75 H VAL 75 8.019 4.957 -6.198 586 HA VAL 75 HA VAL 75 8.164 6.993 -4.058 587 HB VAL 75 HB VAL 75 5.740 6.876 -3.624 588 HG11 VAL 75 HG11 VAL 75 6.671 8.786 -4.901 589 HG12 VAL 75 HG12 VAL 75 6.303 7.941 -6.422 590 HG13 VAL 75 HG13 VAL 75 4.991 8.430 -5.334 591 HG21 VAL 75 HG21 VAL 75 5.128 4.793 -4.690 592 HG22 VAL 75 HG22 VAL 75 4.187 6.092 -5.423 593 HG23 VAL 75 HG23 VAL 75 5.587 5.416 -6.296 594 H GLU 76 H GLU 76 7.264 6.047 -1.994 595 HA GLU 76 HA GLU 76 7.524 3.074 -1.872 596 HB2 GLU 76 HB1 GLU 76 9.181 5.154 -0.422 597 HB3 GLU 76 HB2 GLU 76 9.039 3.479 0.146 598 HG2 GLU 76 HG1 GLU 76 10.101 2.641 -1.846 599 HG3 GLU 76 HG2 GLU 76 10.062 4.239 -2.625 600 H LEU 77 H LEU 77 5.779 2.386 -0.966 601 HA LEU 77 HA LEU 77 4.084 3.945 0.811 602 HB2 LEU 77 HB1 LEU 77 4.021 1.138 -0.321 603 HB3 LEU 77 HB2 LEU 77 2.918 1.654 0.989 604 HG LEU 77 HG LEU 77 2.140 3.514 -0.552 605 HD11 LEU 77 HD11 LEU 77 3.650 1.888 -2.639 606 HD12 LEU 77 HD12 LEU 77 3.888 3.603 -2.239 607 HD13 LEU 77 HD13 LEU 77 2.394 3.085 -3.014 608 HD21 LEU 77 HD21 LEU 77 0.624 2.021 -1.808 609 HD22 LEU 77 HD22 LEU 77 0.777 1.568 -0.111 610 HD23 LEU 77 HD23 LEU 77 1.641 0.631 -1.357 611 H LYS 78 H LYS 78 5.295 4.494 2.446 612 HA LYS 78 HA LYS 78 6.236 2.443 4.384 613 HB2 LYS 78 HB1 LYS 78 7.681 4.288 5.241 614 HB3 LYS 78 HB2 LYS 78 8.006 3.778 3.568 615 HG2 LYS 78 HG1 LYS 78 6.589 5.844 2.877 616 HG3 LYS 78 HG2 LYS 78 6.726 6.354 4.573 617 HD2 LYS 78 HD1 LYS 78 8.482 7.456 3.314 618 HD3 LYS 78 HD2 LYS 78 9.244 6.224 4.333 619 HE2 LYS 78 HE1 LYS 78 9.284 4.676 2.373 620 HE3 LYS 78 HE2 LYS 78 8.515 5.926 1.377 621 HZ1 LYS 78 HZ1 LYS 78 11.210 6.137 2.622 622 HZ2 LYS 78 HZ2 LYS 78 10.524 7.238 1.587 623 HZ3 LYS 78 HZ3 LYS 78 10.937 5.743 1.082 624 HA PRO 79 HA PRO 79 2.997 3.084 7.098 625 HB2 PRO 79 HB1 PRO 79 4.176 3.522 9.627 626 HB3 PRO 79 HB2 PRO 79 3.835 1.951 8.859 627 HG2 PRO 79 HG1 PRO 79 6.409 3.510 8.874 628 HG3 PRO 79 HG2 PRO 79 6.172 1.734 9.040 629 HD2 PRO 79 HD1 PRO 79 6.970 2.802 6.691 630 HD3 PRO 79 HD2 PRO 79 5.744 1.499 6.712 631 H GLY 80 H GLY 80 5.384 5.602 8.198 632 HA2 GLY 80 HA3 GLY 80 3.228 7.637 8.235 633 HA3 GLY 80 HA2 GLY 80 4.942 7.891 8.634 634 H GLY 81 H GLY 81 2.554 7.713 6.115 635 HA2 GLY 81 HA3 GLY 81 3.571 9.281 4.139 636 HA3 GLY 81 HA2 GLY 81 4.443 7.753 3.880 637 H TYR 82 H TYR 82 3.163 5.816 3.471 638 HA TYR 82 HA TYR 82 0.400 6.006 2.501 639 HB2 TYR 82 HB1 TYR 82 2.595 5.466 0.501 640 HB3 TYR 82 HB2 TYR 82 0.849 5.500 0.213 641 HD1 TYR 82 HD2 TYR 82 -0.376 7.703 0.285 642 HD2 TYR 82 HD1 TYR 82 3.917 7.421 0.548 643 HE1 TYR 82 HE2 TYR 82 -0.210 10.162 -0.065 644 HE2 TYR 82 HE1 TYR 82 4.127 9.840 0.202 645 HH TYR 82 HH TYR 82 3.007 11.808 -0.247 646 H HIS 83 H HIS 83 -0.527 3.938 2.289 647 HA HIS 83 HA HIS 83 0.962 1.469 2.124 648 HB2 HIS 83 HB1 HIS 83 0.392 0.708 4.450 649 HB3 HIS 83 HB2 HIS 83 1.737 1.843 4.333 650 HD1 HIS 83 HD1 HIS 83 1.318 4.309 5.446 651 HD2 HIS 83 HD2 HIS 83 -1.824 1.517 5.724 652 HE1 HIS 83 HE1 HIS 83 -0.350 5.269 7.086 653 H PHE 84 H PHE 84 -0.522 -0.395 2.266 654 HA PHE 84 HA PHE 84 -3.339 0.441 1.728 655 HB2 PHE 84 HB1 PHE 84 -2.069 -2.290 1.545 656 HB3 PHE 84 HB2 PHE 84 -3.775 -1.898 1.229 657 HD1 PHE 84 HD1 PHE 84 -4.414 -0.507 -0.733 658 HD2 PHE 84 HD2 PHE 84 -0.337 -1.761 -0.109 659 HE1 PHE 84 HE1 PHE 84 -3.936 -0.180 -3.142 660 HE2 PHE 84 HE2 PHE 84 0.159 -1.329 -2.502 661 HZ PHE 84 HZ PHE 84 -1.648 -0.524 -4.016 662 H MET 85 H MET 85 -4.956 0.069 3.084 663 HA MET 85 HA MET 85 -4.483 -1.326 5.686 664 HB2 MET 85 HB1 MET 85 -6.479 0.717 4.749 665 HB3 MET 85 HB2 MET 85 -6.959 -0.463 5.999 666 HG2 MET 85 HG1 MET 85 -4.500 1.287 6.212 667 HG3 MET 85 HG2 MET 85 -6.095 1.673 6.914 668 HE1 MET 85 HE1 MET 85 -2.940 -0.595 7.051 669 HE2 MET 85 HE2 MET 85 -2.828 0.879 8.037 670 HE3 MET 85 HE3 MET 85 -2.842 -0.718 8.823 671 H LEU 86 H LEU 86 -4.885 -3.332 5.707 672 HA LEU 86 HA LEU 86 -6.720 -4.638 3.751 673 HB2 LEU 86 HB1 LEU 86 -4.679 -5.808 5.686 674 HB3 LEU 86 HB2 LEU 86 -5.510 -6.672 4.395 675 HG LEU 86 HG LEU 86 -3.318 -4.563 4.154 676 HD11 LEU 86 HD11 LEU 86 -2.581 -6.832 4.741 677 HD12 LEU 86 HD12 LEU 86 -2.056 -6.394 3.105 678 HD13 LEU 86 HD13 LEU 86 -3.434 -7.488 3.325 679 HD21 LEU 86 HD21 LEU 86 -3.386 -4.893 1.701 680 HD22 LEU 86 HD22 LEU 86 -4.863 -4.139 2.305 681 HD23 LEU 86 HD23 LEU 86 -4.865 -5.861 1.865 682 H LEU 87 H LEU 87 -8.755 -4.871 4.542 683 HA LEU 87 HA LEU 87 -9.165 -5.055 7.502 684 HB2 LEU 87 HB1 LEU 87 -10.970 -4.147 5.236 685 HB3 LEU 87 HB2 LEU 87 -11.521 -4.377 6.912 686 HG LEU 87 HG LEU 87 -11.317 -2.075 6.515 687 HD11 LEU 87 HD11 LEU 87 -10.525 -2.903 8.733 688 HD12 LEU 87 HD12 LEU 87 -9.775 -1.366 8.253 689 HD13 LEU 87 HD13 LEU 87 -8.858 -2.874 8.110 690 HD21 LEU 87 HD21 LEU 87 -8.398 -2.346 5.757 691 HD22 LEU 87 HD22 LEU 87 -9.397 -0.886 5.747 692 HD23 LEU 87 HD23 LEU 87 -9.717 -2.174 4.574 693 H GLY 88 H GLY 88 -10.549 -6.508 8.371 694 HA2 GLY 88 HA3 GLY 88 -11.952 -8.357 8.555 695 HA3 GLY 88 HA2 GLY 88 -11.942 -8.553 6.788 696 H LEU 89 H LEU 89 -9.484 -8.790 6.132 697 HA LEU 89 HA LEU 89 -7.725 -10.106 5.727 698 HB2 LEU 89 HB1 LEU 89 -7.819 -10.834 8.646 699 HB3 LEU 89 HB2 LEU 89 -6.448 -10.985 7.521 700 HG LEU 89 HG LEU 89 -7.659 -8.392 8.549 701 HD11 LEU 89 HD11 LEU 89 -6.269 -9.733 10.153 702 HD12 LEU 89 HD12 LEU 89 -5.584 -8.146 9.763 703 HD13 LEU 89 HD13 LEU 89 -4.910 -9.611 9.028 704 HD21 LEU 89 HD21 LEU 89 -5.375 -8.881 6.581 705 HD22 LEU 89 HD22 LEU 89 -5.681 -7.339 7.398 706 HD23 LEU 89 HD23 LEU 89 -6.885 -7.989 6.277 707 H LYS 90 H LYS 90 -7.602 -11.940 4.608 708 HA LYS 90 HA LYS 90 -9.781 -13.899 4.913 709 HB2 LYS 90 HB1 LYS 90 -7.537 -13.554 2.893 710 HB3 LYS 90 HB2 LYS 90 -8.746 -14.858 2.805 711 HG2 LYS 90 HG1 LYS 90 -10.547 -13.137 2.773 712 HG3 LYS 90 HG2 LYS 90 -9.291 -11.883 2.698 713 HD2 LYS 90 HD1 LYS 90 -8.549 -12.640 0.548 714 HD3 LYS 90 HD2 LYS 90 -9.532 -14.104 0.623 715 HE2 LYS 90 HE1 LYS 90 -10.611 -11.256 0.524 716 HE3 LYS 90 HE2 LYS 90 -10.457 -12.307 -0.885 717 HZ1 LYS 90 HZ1 LYS 90 -12.130 -13.765 0.122 718 HZ2 LYS 90 HZ2 LYS 90 -12.718 -12.207 0.239 719 HZ3 LYS 90 HZ3 LYS 90 -12.115 -12.858 1.513 720 H ARG 91 H ARG 91 -7.742 -13.752 6.979 721 HA ARG 91 HA ARG 91 -6.997 -16.232 7.902 722 HB2 ARG 91 HB1 ARG 91 -4.637 -16.472 7.188 723 HB3 ARG 91 HB2 ARG 91 -5.751 -16.714 5.850 724 HG2 ARG 91 HG1 ARG 91 -5.212 -14.019 5.639 725 HG3 ARG 91 HG2 ARG 91 -3.681 -14.603 6.304 726 HD2 ARG 91 HD1 ARG 91 -5.033 -15.626 3.771 727 HD3 ARG 91 HD2 ARG 91 -3.661 -14.479 3.856 728 HE ARG 91 HE ARG 91 -2.200 -16.186 4.456 729 HH11 ARG 91 HH12 ARG 91 -5.424 -17.566 3.872 730 HH12 ARG 91 HH11 ARG 91 -4.749 -19.151 3.571 731 HH21 ARG 91 HH22 ARG 91 -1.445 -18.160 4.082 732 HH22 ARG 91 HH21 ARG 91 -2.486 -19.475 3.633 733 HA PRO 92 HA PRO 92 -4.606 -13.242 10.537 734 HB2 PRO 92 HB1 PRO 92 -3.074 -14.991 11.955 735 HB3 PRO 92 HB2 PRO 92 -4.783 -14.664 12.377 736 HG2 PRO 92 HG1 PRO 92 -3.653 -16.985 10.796 737 HG3 PRO 92 HG2 PRO 92 -4.886 -17.026 12.105 738 HD2 PRO 92 HD1 PRO 92 -5.503 -17.064 9.402 739 HD3 PRO 92 HD2 PRO 92 -6.580 -16.348 10.636 740 H LEU 93 H LEU 93 -2.772 -12.327 9.711 741 HA LEU 93 HA LEU 93 -1.633 -13.336 7.294 742 HB2 LEU 93 HB1 LEU 93 -1.363 -10.970 9.057 743 HB3 LEU 93 HB2 LEU 93 0.089 -11.341 8.105 744 HG LEU 93 HG LEU 93 -1.490 -9.666 7.105 745 HD11 LEU 93 HD11 LEU 93 -0.902 -12.140 5.424 746 HD12 LEU 93 HD12 LEU 93 0.221 -10.806 5.779 747 HD13 LEU 93 HD13 LEU 93 -1.228 -10.500 4.823 748 HD21 LEU 93 HD21 LEU 93 -3.637 -10.844 7.656 749 HD22 LEU 93 HD22 LEU 93 -3.259 -12.051 6.414 750 HD23 LEU 93 HD23 LEU 93 -3.491 -10.358 5.958 751 H LYS 94 H LYS 94 -0.539 -15.198 7.269 752 HA LYS 94 HA LYS 94 0.955 -16.114 9.533 753 HB2 LYS 94 HB1 LYS 94 -0.132 -17.751 8.405 754 HB3 LYS 94 HB2 LYS 94 0.204 -17.073 6.804 755 HG2 LYS 94 HG1 LYS 94 1.221 -19.245 7.120 756 HG3 LYS 94 HG2 LYS 94 2.421 -17.991 6.810 757 HD2 LYS 94 HD1 LYS 94 2.887 -17.933 9.293 758 HD3 LYS 94 HD2 LYS 94 1.728 -19.273 9.485 759 HE2 LYS 94 HE1 LYS 94 3.991 -20.185 9.398 760 HE3 LYS 94 HE2 LYS 94 3.120 -20.648 7.924 761 HZ1 LYS 94 HZ1 LYS 94 4.266 -18.821 6.789 762 HZ2 LYS 94 HZ2 LYS 94 5.377 -19.825 7.446 763 HZ3 LYS 94 HZ3 LYS 94 5.028 -18.387 8.163 764 H ALA 95 H ALA 95 2.596 -14.660 10.037 765 HA ALA 95 HA ALA 95 4.625 -13.584 8.543 766 HB1 ALA 95 HB1 ALA 95 4.924 -15.038 11.202 767 HB2 ALA 95 HB2 ALA 95 6.051 -13.839 10.543 768 HB3 ALA 95 HB3 ALA 95 4.406 -13.350 10.985 769 H GLY 96 H GLY 96 6.176 -14.234 7.157 770 HA2 GLY 96 HA3 GLY 96 7.568 -15.622 5.962 771 HA3 GLY 96 HA2 GLY 96 7.449 -16.829 7.263 772 H GLU 97 H GLU 97 4.491 -15.692 5.635 773 HA GLU 97 HA GLU 97 5.006 -17.533 3.406 774 HB2 GLU 97 HB1 GLU 97 2.772 -17.630 2.806 775 HB3 GLU 97 HB2 GLU 97 2.787 -17.997 4.528 776 HG2 GLU 97 HG1 GLU 97 2.131 -15.505 4.842 777 HG3 GLU 97 HG2 GLU 97 1.810 -15.486 3.101 778 H GLU 98 H GLU 98 3.642 -16.075 1.492 779 HA GLU 98 HA GLU 98 4.537 -13.288 1.734 780 HB2 GLU 98 HB1 GLU 98 5.507 -13.295 -0.501 781 HB3 GLU 98 HB2 GLU 98 6.388 -14.366 0.613 782 HG2 GLU 98 HG1 GLU 98 5.191 -16.311 -0.395 783 HG3 GLU 98 HG2 GLU 98 4.428 -15.218 -1.561 784 H VAL 99 H VAL 99 3.505 -11.856 0.343 785 HA VAL 99 HA VAL 99 0.660 -12.663 -0.027 786 HB VAL 99 HB VAL 99 1.987 -9.940 0.319 787 HG11 VAL 99 HG11 VAL 99 0.050 -9.639 -1.132 788 HG12 VAL 99 HG12 VAL 99 -0.930 -10.684 -0.072 789 HG13 VAL 99 HG13 VAL 99 -0.379 -9.089 0.487 790 HG21 VAL 99 HG21 VAL 99 0.575 -10.057 2.471 791 HG22 VAL 99 HG22 VAL 99 0.410 -11.785 2.145 792 HG23 VAL 99 HG23 VAL 99 2.019 -11.078 2.374 793 H GLU 100 H GLU 100 0.241 -13.261 -2.001 794 HA GLU 100 HA GLU 100 1.329 -11.958 -4.373 795 HB2 GLU 100 HB1 GLU 100 0.197 -14.343 -4.001 796 HB3 GLU 100 HB2 GLU 100 -1.269 -13.497 -4.461 797 HG2 GLU 100 HG1 GLU 100 1.227 -13.214 -6.155 798 HG3 GLU 100 HG2 GLU 100 0.267 -14.720 -6.232 799 H LEU 101 H LEU 101 0.399 -10.353 -5.609 800 HA LEU 101 HA LEU 101 -1.932 -8.883 -4.646 801 HB2 LEU 101 HB1 LEU 101 0.795 -8.298 -3.760 802 HB3 LEU 101 HB2 LEU 101 0.040 -6.899 -4.563 803 HG LEU 101 HG LEU 101 -1.327 -8.347 -2.322 804 HD11 LEU 101 HD11 LEU 101 0.851 -7.495 -1.556 805 HD12 LEU 101 HD12 LEU 101 -0.505 -6.567 -0.874 806 HD13 LEU 101 HD13 LEU 101 0.459 -5.894 -2.232 807 HD21 LEU 101 HD21 LEU 101 -2.699 -6.823 -3.837 808 HD22 LEU 101 HD22 LEU 101 -1.575 -5.513 -3.420 809 HD23 LEU 101 HD23 LEU 101 -2.596 -6.229 -2.166 810 H ASP 102 H ASP 102 -2.906 -8.349 -6.381 811 HA ASP 102 HA ASP 102 -1.617 -7.560 -8.949 812 HB2 ASP 102 HB1 ASP 102 -4.267 -8.452 -7.966 813 HB3 ASP 102 HB2 ASP 102 -4.347 -7.196 -9.206 814 H LEU 103 H LEU 103 -0.755 -5.494 -8.773 815 HA LEU 103 HA LEU 103 -2.070 -3.318 -7.320 816 HB2 LEU 103 HB1 LEU 103 0.249 -3.448 -9.281 817 HB3 LEU 103 HB2 LEU 103 -0.234 -1.983 -8.418 818 HG LEU 103 HG LEU 103 0.636 -4.536 -6.992 819 HD11 LEU 103 HD11 LEU 103 2.866 -3.412 -6.769 820 HD12 LEU 103 HD12 LEU 103 2.316 -2.175 -7.917 821 HD13 LEU 103 HD13 LEU 103 2.465 -3.861 -8.437 822 HD21 LEU 103 HD21 LEU 103 1.091 -3.015 -5.109 823 HD22 LEU 103 HD22 LEU 103 -0.604 -2.902 -5.595 824 HD23 LEU 103 HD23 LEU 103 0.540 -1.626 -6.069 825 H LEU 104 H LEU 104 -3.577 -1.933 -8.104 826 HA LEU 104 HA LEU 104 -4.517 -2.329 -10.902 827 HB2 LEU 104 HB1 LEU 104 -5.903 -0.837 -8.664 828 HB3 LEU 104 HB2 LEU 104 -6.600 -1.393 -10.192 829 HG LEU 104 HG LEU 104 -5.813 -3.037 -7.796 830 HD11 LEU 104 HD11 LEU 104 -7.923 -1.799 -7.591 831 HD12 LEU 104 HD12 LEU 104 -8.203 -3.547 -7.652 832 HD13 LEU 104 HD13 LEU 104 -8.516 -2.549 -9.090 833 HD21 LEU 104 HD21 LEU 104 -5.278 -4.394 -9.734 834 HD22 LEU 104 HD22 LEU 104 -6.853 -4.033 -10.480 835 HD23 LEU 104 HD23 LEU 104 -6.754 -5.015 -8.996 836 H PHE 105 H PHE 105 -4.016 -0.868 -12.399 837 HA PHE 105 HA PHE 105 -3.325 1.898 -11.519 838 HB2 PHE 105 HB1 PHE 105 -2.220 0.227 -13.782 839 HB3 PHE 105 HB2 PHE 105 -1.799 1.909 -13.496 840 HD1 PHE 105 HD1 PHE 105 -0.701 2.468 -11.195 841 HD2 PHE 105 HD2 PHE 105 -1.044 -1.550 -12.736 842 HE1 PHE 105 HE1 PHE 105 1.180 1.742 -9.747 843 HE2 PHE 105 HE2 PHE 105 0.845 -2.251 -11.308 844 HZ PHE 105 HZ PHE 105 1.977 -0.615 -9.833 845 H ALA 106 H ALA 106 -4.535 3.393 -12.238 846 HA ALA 106 HA ALA 106 -6.326 4.502 -13.188 847 HB1 ALA 106 HB1 ALA 106 -4.334 5.052 -14.553 848 HB2 ALA 106 HB2 ALA 106 -4.746 3.730 -15.674 849 HB3 ALA 106 HB3 ALA 106 -5.831 5.125 -15.504 850 H GLY 107 H GLY 107 -7.000 1.697 -12.758 851 HA2 GLY 107 HA3 GLY 107 -8.782 0.287 -13.124 852 HA3 GLY 107 HA2 GLY 107 -9.369 1.365 -14.410 853 H GLY 108 H GLY 108 -7.632 1.425 -16.313 854 HA2 GLY 108 HA3 GLY 108 -8.069 -1.106 -17.555 855 HA3 GLY 108 HA2 GLY 108 -7.299 0.318 -18.290 856 H LYS 109 H LYS 109 -5.229 -0.247 -15.751 857 HA LYS 109 HA LYS 109 -3.816 -2.530 -17.053 858 HB2 LYS 109 HB1 LYS 109 -2.846 0.122 -16.040 859 HB3 LYS 109 HB2 LYS 109 -1.871 -1.326 -15.668 860 HG2 LYS 109 HG1 LYS 109 -0.914 -0.429 -17.599 861 HG3 LYS 109 HG2 LYS 109 -1.856 -1.824 -18.148 862 HD2 LYS 109 HD1 LYS 109 -2.159 -0.018 -19.718 863 HD3 LYS 109 HD2 LYS 109 -3.679 -0.221 -18.843 864 HE2 LYS 109 HE1 LYS 109 -2.931 1.662 -17.304 865 HE3 LYS 109 HE2 LYS 109 -1.509 1.873 -18.348 866 HZ1 LYS 109 HZ1 LYS 109 -4.349 2.223 -19.124 867 HZ2 LYS 109 HZ2 LYS 109 -3.091 2.312 -20.176 868 HZ3 LYS 109 HZ3 LYS 109 -3.222 3.412 -18.961 869 H VAL 110 H VAL 110 -3.210 -4.172 -15.667 870 HA VAL 110 HA VAL 110 -2.997 -3.659 -12.827 871 HB VAL 110 HB VAL 110 -5.250 -4.387 -12.941 872 HG11 VAL 110 HG11 VAL 110 -4.395 -6.863 -14.481 873 HG12 VAL 110 HG12 VAL 110 -6.015 -6.537 -13.833 874 HG13 VAL 110 HG13 VAL 110 -5.359 -5.503 -15.106 875 HG21 VAL 110 HG21 VAL 110 -5.249 -6.271 -11.462 876 HG22 VAL 110 HG22 VAL 110 -3.687 -6.841 -12.080 877 HG23 VAL 110 HG23 VAL 110 -3.773 -5.361 -11.115 878 H LEU 111 H LEU 111 -1.368 -4.797 -11.915 879 HA LEU 111 HA LEU 111 0.116 -6.851 -13.474 880 HB2 LEU 111 HB1 LEU 111 1.196 -4.176 -12.477 881 HB3 LEU 111 HB2 LEU 111 2.225 -5.513 -13.018 882 HG LEU 111 HG LEU 111 0.227 -4.019 -14.776 883 HD11 LEU 111 HD11 LEU 111 3.253 -3.744 -14.581 884 HD12 LEU 111 HD12 LEU 111 2.054 -2.550 -14.036 885 HD13 LEU 111 HD13 LEU 111 2.200 -2.931 -15.760 886 HD21 LEU 111 HD21 LEU 111 1.437 -5.114 -16.647 887 HD22 LEU 111 HD22 LEU 111 0.693 -6.321 -15.593 888 HD23 LEU 111 HD23 LEU 111 2.438 -6.009 -15.485 889 H LYS 112 H LYS 112 0.753 -8.452 -12.083 890 HA LYS 112 HA LYS 112 0.480 -7.865 -9.243 891 HB2 LYS 112 HB1 LYS 112 0.730 -10.328 -8.931 892 HB3 LYS 112 HB2 LYS 112 -0.710 -9.710 -9.754 893 HG2 LYS 112 HG1 LYS 112 0.316 -10.390 -11.932 894 HG3 LYS 112 HG2 LYS 112 1.701 -11.056 -11.039 895 HD2 LYS 112 HD1 LYS 112 0.140 -12.831 -11.657 896 HD3 LYS 112 HD2 LYS 112 0.192 -12.677 -9.904 897 HE2 LYS 112 HE1 LYS 112 -1.891 -11.086 -11.389 898 HE3 LYS 112 HE2 LYS 112 -2.117 -12.846 -11.334 899 HZ1 LYS 112 HZ1 LYS 112 -1.610 -11.323 -8.866 900 HZ2 LYS 112 HZ2 LYS 112 -2.211 -12.774 -8.978 901 HZ3 LYS 112 HZ3 LYS 112 -3.140 -11.462 -9.479 902 H VAL 113 H VAL 113 1.758 -8.257 -7.657 903 HA VAL 113 HA VAL 113 4.658 -8.860 -8.064 904 HB VAL 113 HB VAL 113 5.143 -7.274 -6.179 905 HG11 VAL 113 HG11 VAL 113 4.004 -5.946 -8.673 906 HG12 VAL 113 HG12 VAL 113 5.189 -5.252 -7.545 907 HG13 VAL 113 HG13 VAL 113 5.621 -6.670 -8.518 908 HG21 VAL 113 HG21 VAL 113 2.357 -6.140 -6.713 909 HG22 VAL 113 HG22 VAL 113 2.832 -7.028 -5.255 910 HG23 VAL 113 HG23 VAL 113 3.585 -5.470 -5.627 911 H VAL 114 H VAL 114 5.673 -9.628 -5.979 912 HA VAL 114 HA VAL 114 3.778 -10.680 -4.011 913 HB VAL 114 HB VAL 114 4.130 -12.505 -5.642 914 HG11 VAL 114 HG11 VAL 114 6.231 -13.684 -5.843 915 HG12 VAL 114 HG12 VAL 114 6.471 -11.999 -6.324 916 HG13 VAL 114 HG13 VAL 114 7.037 -12.562 -4.733 917 HG21 VAL 114 HG21 VAL 114 3.548 -13.018 -3.334 918 HG22 VAL 114 HG22 VAL 114 4.642 -14.249 -3.975 919 HG23 VAL 114 HG23 VAL 114 5.259 -13.005 -2.865 920 H LEU 115 H LEU 115 4.509 -10.497 -1.969 921 HA LEU 115 HA LEU 115 7.338 -9.726 -1.382 922 HB2 LEU 115 HB1 LEU 115 4.934 -8.075 -0.546 923 HB3 LEU 115 HB2 LEU 115 6.651 -7.763 -0.195 924 HG LEU 115 HG LEU 115 6.686 -7.746 -2.945 925 HD11 LEU 115 HD11 LEU 115 4.192 -7.995 -3.128 926 HD12 LEU 115 HD12 LEU 115 4.758 -6.429 -3.728 927 HD13 LEU 115 HD13 LEU 115 3.992 -6.541 -2.132 928 HD21 LEU 115 HD21 LEU 115 7.686 -6.067 -1.592 929 HD22 LEU 115 HD22 LEU 115 6.090 -5.454 -1.086 930 HD23 LEU 115 HD23 LEU 115 6.635 -5.281 -2.776 931 HA PRO 116 HA PRO 116 6.454 -12.430 2.003 932 HB2 PRO 116 HB1 PRO 116 8.286 -11.729 3.914 933 HB3 PRO 116 HB2 PRO 116 8.697 -12.550 2.378 934 HG2 PRO 116 HG1 PRO 116 8.782 -9.571 2.962 935 HG3 PRO 116 HG2 PRO 116 10.078 -10.594 2.243 936 HD2 PRO 116 HD1 PRO 116 8.442 -9.165 0.644 937 HD3 PRO 116 HD2 PRO 116 8.846 -10.860 0.217 938 H VAL 117 H VAL 117 5.405 -12.751 4.004 939 HA VAL 117 HA VAL 117 4.161 -10.430 5.271 940 HB VAL 117 HB VAL 117 4.039 -13.389 5.981 941 HG11 VAL 117 HG11 VAL 117 3.540 -11.886 7.879 942 HG12 VAL 117 HG12 VAL 117 2.385 -10.995 6.882 943 HG13 VAL 117 HG13 VAL 117 2.073 -12.695 7.311 944 HG21 VAL 117 HG21 VAL 117 1.730 -13.262 5.015 945 HG22 VAL 117 HG22 VAL 117 2.058 -11.604 4.500 946 HG23 VAL 117 HG23 VAL 117 2.960 -12.959 3.776 947 H GLU 118 H GLU 118 5.025 -9.430 7.041 948 HA GLU 118 HA GLU 118 6.971 -10.774 8.797 949 HB2 GLU 118 HB1 GLU 118 8.146 -9.678 6.791 950 HB3 GLU 118 HB2 GLU 118 7.685 -8.127 7.502 951 HG2 GLU 118 HG1 GLU 118 8.921 -8.713 9.566 952 HG3 GLU 118 HG2 GLU 118 9.318 -10.306 8.887 953 H ALA 119 H ALA 119 7.397 -9.548 10.762 954 HA ALA 119 HA ALA 119 4.774 -8.581 11.709 955 HB1 ALA 119 HB1 ALA 119 5.509 -9.562 13.818 956 HB2 ALA 119 HB2 ALA 119 5.844 -10.721 12.510 957 HB3 ALA 119 HB3 ALA 119 7.162 -9.752 13.207 958 H ARG 120 H ARG 120 5.994 -6.454 10.579 959 HA ARG 120 HA ARG 120 6.576 -4.631 12.832 960 HB2 ARG 120 HB1 ARG 120 8.639 -3.810 11.498 961 HB3 ARG 120 HB2 ARG 120 8.794 -5.260 12.523 962 HG2 ARG 120 HG1 ARG 120 8.970 -6.694 10.723 963 HG3 ARG 120 HG2 ARG 120 8.143 -5.625 9.587 964 HD2 ARG 120 HD1 ARG 120 10.753 -4.710 10.766 965 HD3 ARG 120 HD2 ARG 120 10.790 -5.990 9.549 966 HE ARG 120 HE ARG 120 9.355 -3.418 9.067 967 HH11 ARG 120 HH12 ARG 120 11.218 -5.972 7.636 968 HH12 ARG 120 HH11 ARG 120 11.694 -5.041 6.296 969 HH21 ARG 120 HH22 ARG 120 9.773 -2.401 7.134 970 HH22 ARG 120 HH21 ARG 120 10.876 -3.096 5.991 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 12.362 -5.187 -8.071 2 H2 GLY 1 2H GLY 1 11.400 -4.262 -9.018 3 H3 GLY 1 3H GLY 1 12.445 -5.338 -9.713 4 HA2 GLY 1 HA3 GLY 1 10.105 -6.016 -8.051 5 HA3 GLY 1 HA2 GLY 1 10.213 -6.208 -9.816 6 H SER 2 H SER 2 10.874 -7.607 -6.783 7 HA SER 2 HA SER 2 12.415 -9.117 -5.910 8 HB2 SER 2 HB1 SER 2 12.444 -10.547 -7.969 9 HB3 SER 2 HB2 SER 2 13.709 -9.480 -8.619 10 HG SER 2 HG SER 2 15.023 -10.661 -7.462 11 H PHE 3 H PHE 3 14.528 -8.688 -5.091 12 HA PHE 3 HA PHE 3 16.199 -7.332 -4.376 13 HB2 PHE 3 HB1 PHE 3 16.377 -6.237 -7.184 14 HB3 PHE 3 HB2 PHE 3 17.683 -6.490 -6.022 15 HD1 PHE 3 HD2 PHE 3 18.272 -8.951 -5.405 16 HD2 PHE 3 HD1 PHE 3 15.787 -7.898 -8.762 17 HE1 PHE 3 HE2 PHE 3 18.679 -11.185 -6.412 18 HE2 PHE 3 HE1 PHE 3 16.232 -10.113 -9.793 19 HZ PHE 3 HZ PHE 3 17.670 -11.767 -8.607 20 H THR 4 H THR 4 13.361 -6.132 -4.696 21 HA THR 4 HA THR 4 13.915 -3.296 -4.001 22 HB THR 4 HB THR 4 11.823 -2.765 -5.341 23 HG1 THR 4 HG1 THR 4 11.041 -4.824 -5.468 24 HG21 THR 4 HG21 THR 4 14.083 -3.924 -7.031 25 HG22 THR 4 HG22 THR 4 14.115 -2.332 -6.247 26 HG23 THR 4 HG23 THR 4 12.909 -2.671 -7.502 27 H GLU 5 H GLU 5 12.724 -2.633 -2.344 28 HA GLU 5 HA GLU 5 11.800 -4.845 -0.759 29 HB2 GLU 5 HB1 GLU 5 12.299 -3.379 1.104 30 HB3 GLU 5 HB2 GLU 5 13.652 -3.537 -0.010 31 HG2 GLU 5 HG1 GLU 5 11.801 -1.148 -0.117 32 HG3 GLU 5 HG2 GLU 5 13.108 -1.270 1.096 33 H GLY 6 H GLY 6 9.996 -5.206 0.321 34 HA2 GLY 6 HA3 GLY 6 8.136 -3.287 1.242 35 HA3 GLY 6 HA2 GLY 6 7.471 -4.090 -0.199 36 H TRP 7 H TRP 7 6.006 -4.520 2.009 37 HA TRP 7 HA TRP 7 6.253 -7.352 2.500 38 HB2 TRP 7 HB1 TRP 7 6.626 -7.361 4.833 39 HB3 TRP 7 HB2 TRP 7 7.979 -6.559 4.058 40 HD1 TRP 7 HD TRP 7 5.555 -6.254 6.765 41 HE1 TRP 7 HE1 TRP 7 6.397 -4.370 8.195 42 HE3 TRP 7 3HE TRP 7 8.558 -3.773 3.454 43 HZ2 TRP 7 HZ2 TRP 7 7.349 -1.623 7.761 44 HZ3 TRP 7 HZ3 TRP 7 9.336 -1.479 3.943 45 HH2 TRP 7 HH TRP 7 8.753 -0.388 6.099 46 H VAL 8 H VAL 8 4.563 -8.299 3.667 47 HA VAL 8 HA VAL 8 2.069 -6.629 3.895 48 HB VAL 8 HB VAL 8 2.411 -9.533 3.054 49 HG11 VAL 8 HG11 VAL 8 -0.089 -9.558 2.842 50 HG12 VAL 8 HG12 VAL 8 0.460 -9.462 4.513 51 HG13 VAL 8 HG13 VAL 8 -0.156 -8.001 3.697 52 HG21 VAL 8 HG21 VAL 8 1.182 -7.109 1.641 53 HG22 VAL 8 HG22 VAL 8 2.750 -7.847 1.255 54 HG23 VAL 8 HG23 VAL 8 1.262 -8.760 0.992 55 H ARG 9 H ARG 9 1.140 -6.536 5.824 56 HA ARG 9 HA ARG 9 2.688 -7.702 7.996 57 HB2 ARG 9 HB1 ARG 9 2.076 -5.291 7.693 58 HB3 ARG 9 HB2 ARG 9 0.425 -5.677 8.154 59 HG2 ARG 9 HG1 ARG 9 2.749 -6.521 9.892 60 HG3 ARG 9 HG2 ARG 9 2.175 -4.843 9.934 61 HD2 ARG 9 HD1 ARG 9 0.042 -6.899 10.210 62 HD3 ARG 9 HD2 ARG 9 1.268 -6.861 11.523 63 HE ARG 9 HE ARG 9 0.832 -4.445 11.681 64 HH11 ARG 9 HH12 ARG 9 -1.790 -6.694 10.963 65 HH12 ARG 9 HH11 ARG 9 -2.982 -5.739 11.787 66 HH21 ARG 9 HH22 ARG 9 -0.638 -3.307 12.728 67 HH22 ARG 9 HH21 ARG 9 -2.325 -3.780 12.808 68 H PHE 10 H PHE 10 2.181 -9.573 8.917 69 HA PHE 10 HA PHE 10 -0.323 -10.921 9.041 70 HB2 PHE 10 HB1 PHE 10 1.801 -12.052 9.276 71 HB3 PHE 10 HB2 PHE 10 2.249 -10.994 10.640 72 HD1 PHE 10 HD2 PHE 10 -1.025 -12.845 10.237 73 HD2 PHE 10 HD1 PHE 10 2.766 -12.593 12.275 74 HE1 PHE 10 HE2 PHE 10 -1.844 -14.424 11.948 75 HE2 PHE 10 HE1 PHE 10 1.967 -14.233 13.948 76 HZ PHE 10 HZ PHE 10 -0.350 -15.144 13.800 77 H SER 11 H SER 11 -1.995 -10.944 10.609 78 HA SER 11 HA SER 11 -1.343 -10.429 13.320 79 HB2 SER 11 HB1 SER 11 -2.899 -8.397 11.772 80 HB3 SER 11 HB2 SER 11 -3.512 -8.837 13.374 81 HG SER 11 HG SER 11 -0.784 -8.193 12.870 82 HA PRO 12 HA PRO 12 -5.074 -13.039 13.581 83 HB2 PRO 12 HB1 PRO 12 -5.647 -12.975 16.213 84 HB3 PRO 12 HB2 PRO 12 -4.114 -13.693 15.632 85 HG2 PRO 12 HG1 PRO 12 -4.563 -10.894 16.714 86 HG3 PRO 12 HG2 PRO 12 -3.289 -12.073 17.193 87 HD2 PRO 12 HD1 PRO 12 -2.889 -10.064 15.329 88 HD3 PRO 12 HD2 PRO 12 -2.047 -11.641 15.263 89 H GLY 13 H GLY 13 -5.073 -9.614 14.326 90 HA2 GLY 13 HA3 GLY 13 -7.953 -9.387 14.774 91 HA3 GLY 13 HA2 GLY 13 -6.783 -8.062 14.576 92 HA PRO 14 HA PRO 14 -9.275 -9.238 10.623 93 HB2 PRO 14 HB1 PRO 14 -11.437 -7.566 10.644 94 HB3 PRO 14 HB2 PRO 14 -11.411 -9.130 11.512 95 HG2 PRO 14 HG1 PRO 14 -10.803 -6.380 12.641 96 HG3 PRO 14 HG2 PRO 14 -11.939 -7.613 13.295 97 HD2 PRO 14 HD1 PRO 14 -9.408 -7.386 14.254 98 HD3 PRO 14 HD2 PRO 14 -10.157 -8.994 14.017 99 H ASN 15 H ASN 15 -7.882 -6.366 11.873 100 HA ASN 15 HA ASN 15 -7.784 -5.118 9.174 101 HB2 ASN 15 HB1 ASN 15 -7.235 -3.861 11.875 102 HB3 ASN 15 HB2 ASN 15 -7.100 -3.055 10.295 103 HD21 ASN 15 HD21 ASN 15 -8.691 -1.472 10.332 104 HD22 ASN 15 HD22 ASN 15 -10.353 -1.824 10.781 105 H ALA 16 H ALA 16 -5.832 -4.518 8.323 106 HA ALA 16 HA ALA 16 -3.298 -4.794 9.683 107 HB1 ALA 16 HB1 ALA 16 -2.404 -6.541 8.097 108 HB2 ALA 16 HB2 ALA 16 -3.674 -7.151 9.150 109 HB3 ALA 16 HB3 ALA 16 -4.042 -6.746 7.456 110 H ALA 17 H ALA 17 -1.502 -4.808 7.700 111 HA ALA 17 HA ALA 17 -2.137 -2.413 6.088 112 HB1 ALA 17 HB1 ALA 17 0.193 -2.687 8.024 113 HB2 ALA 17 HB2 ALA 17 -0.105 -1.318 6.927 114 HB3 ALA 17 HB3 ALA 17 -1.234 -1.649 8.257 115 H ALA 18 H ALA 18 -0.721 -2.065 4.302 116 HA ALA 18 HA ALA 18 1.543 -3.941 3.982 117 HB1 ALA 18 HB1 ALA 18 -0.469 -3.482 1.745 118 HB2 ALA 18 HB2 ALA 18 1.033 -4.426 1.649 119 HB3 ALA 18 HB3 ALA 18 -0.290 -4.984 2.689 120 H TYR 19 H TYR 19 3.212 -3.233 2.812 121 HA TYR 19 HA TYR 19 3.332 -0.384 1.973 122 HB2 TYR 19 HB1 TYR 19 5.574 -1.569 3.572 123 HB3 TYR 19 HB2 TYR 19 5.123 0.120 3.378 124 HD1 TYR 19 HD2 TYR 19 4.560 -3.014 5.219 125 HD2 TYR 19 HD1 TYR 19 3.366 1.110 4.861 126 HE1 TYR 19 HE2 TYR 19 3.535 -3.138 7.468 127 HE2 TYR 19 HE1 TYR 19 2.305 0.999 7.114 128 HH TYR 19 HH TYR 19 1.912 -0.329 8.986 129 H LEU 20 H LEU 20 4.976 -0.019 0.373 130 HA LEU 20 HA LEU 20 6.857 -2.029 -0.367 131 HB2 LEU 20 HB1 LEU 20 6.063 -2.779 -2.444 132 HB3 LEU 20 HB2 LEU 20 4.754 -3.079 -1.313 133 HG LEU 20 HG LEU 20 4.871 -0.736 -3.282 134 HD11 LEU 20 HD11 LEU 20 3.337 -3.352 -3.483 135 HD12 LEU 20 HD12 LEU 20 4.778 -2.910 -4.431 136 HD13 LEU 20 HD13 LEU 20 3.286 -1.984 -4.621 137 HD21 LEU 20 HD21 LEU 20 2.574 -1.794 -1.567 138 HD22 LEU 20 HD22 LEU 20 2.427 -0.560 -2.838 139 HD23 LEU 20 HD23 LEU 20 3.380 -0.219 -1.395 140 H THR 21 H THR 21 8.328 -1.459 -1.858 141 HA THR 21 HA THR 21 8.563 1.264 -2.879 142 HB THR 21 HB THR 21 10.059 -1.312 -3.493 143 HG1 THR 21 HG1 THR 21 10.442 -0.714 -1.482 144 HG21 THR 21 HG21 THR 21 10.743 1.595 -4.101 145 HG22 THR 21 HG22 THR 21 10.247 0.407 -5.338 146 HG23 THR 21 HG23 THR 21 11.753 0.168 -4.446 147 H LEU 22 H LEU 22 7.121 1.945 -4.323 148 HA LEU 22 HA LEU 22 6.106 0.213 -6.471 149 HB2 LEU 22 HB1 LEU 22 4.893 2.122 -5.071 150 HB3 LEU 22 HB2 LEU 22 5.674 3.201 -6.225 151 HG LEU 22 HG LEU 22 3.453 2.834 -6.952 152 HD11 LEU 22 HD11 LEU 22 5.090 0.944 -8.670 153 HD12 LEU 22 HD12 LEU 22 5.277 2.713 -8.694 154 HD13 LEU 22 HD13 LEU 22 3.731 1.970 -9.166 155 HD21 LEU 22 HD21 LEU 22 3.917 -0.175 -6.774 156 HD22 LEU 22 HD22 LEU 22 2.436 0.638 -7.316 157 HD23 LEU 22 HD23 LEU 22 2.967 0.799 -5.634 158 H GLU 23 H GLU 23 7.128 0.111 -8.324 159 HA GLU 23 HA GLU 23 9.251 2.071 -9.068 160 HB2 GLU 23 HB1 GLU 23 10.503 0.195 -10.018 161 HB3 GLU 23 HB2 GLU 23 10.249 0.029 -8.263 162 HG2 GLU 23 HG1 GLU 23 8.305 -1.529 -8.846 163 HG3 GLU 23 HG2 GLU 23 8.916 -1.530 -10.514 164 H ASN 24 H ASN 24 8.519 3.270 -10.741 165 HA ASN 24 HA ASN 24 7.064 1.885 -12.949 166 HB2 ASN 24 HB1 ASN 24 6.079 3.961 -12.017 167 HB3 ASN 24 HB2 ASN 24 7.502 4.859 -12.560 168 HD21 ASN 24 HD21 ASN 24 5.867 6.068 -13.812 169 HD22 ASN 24 HD22 ASN 24 5.395 5.445 -15.396 170 HA PRO 25 HA PRO 25 11.127 2.317 -15.019 171 HB2 PRO 25 HB1 PRO 25 11.064 0.081 -16.562 172 HB3 PRO 25 HB2 PRO 25 11.386 -0.016 -14.803 173 HG2 PRO 25 HG1 PRO 25 8.727 -0.400 -16.224 174 HG3 PRO 25 HG2 PRO 25 9.500 -1.498 -15.026 175 HD2 PRO 25 HD1 PRO 25 7.605 0.353 -14.318 176 HD3 PRO 25 HD2 PRO 25 8.976 -0.054 -13.244 177 H GLY 26 H GLY 26 7.867 2.532 -16.070 178 HA2 GLY 26 HA3 GLY 26 8.348 2.655 -18.926 179 HA3 GLY 26 HA2 GLY 26 6.848 3.048 -18.057 180 H ASP 27 H ASP 27 7.580 4.485 -20.178 181 HA ASP 27 HA ASP 27 8.721 7.065 -19.310 182 HB2 ASP 27 HB1 ASP 27 7.988 5.903 -22.018 183 HB3 ASP 27 HB2 ASP 27 8.687 7.521 -21.763 184 H LEU 28 H LEU 28 5.737 5.768 -19.157 185 HA LEU 28 HA LEU 28 4.442 8.430 -19.264 186 HB2 LEU 28 HB1 LEU 28 2.344 7.415 -19.829 187 HB3 LEU 28 HB2 LEU 28 3.595 7.011 -21.034 188 HG LEU 28 HG LEU 28 3.757 4.729 -19.818 189 HD11 LEU 28 HD11 LEU 28 1.528 4.056 -18.757 190 HD12 LEU 28 HD12 LEU 28 1.140 5.790 -18.647 191 HD13 LEU 28 HD13 LEU 28 2.520 5.111 -17.764 192 HD21 LEU 28 HD21 LEU 28 1.839 3.865 -21.116 193 HD22 LEU 28 HD22 LEU 28 2.743 5.070 -22.042 194 HD23 LEU 28 HD23 LEU 28 1.199 5.515 -21.282 195 HA PRO 29 HA PRO 29 4.006 7.923 -14.996 196 HB2 PRO 29 HB1 PRO 29 1.840 9.393 -14.270 197 HB3 PRO 29 HB2 PRO 29 3.278 10.127 -15.037 198 HG2 PRO 29 HG1 PRO 29 0.673 9.328 -16.340 199 HG3 PRO 29 HG2 PRO 29 1.612 10.844 -16.568 200 HD2 PRO 29 HD1 PRO 29 1.730 8.653 -18.272 201 HD3 PRO 29 HD2 PRO 29 3.085 9.778 -18.059 202 H LEU 30 H LEU 30 2.856 6.898 -13.195 203 HA LEU 30 HA LEU 30 0.643 5.023 -13.932 204 HB2 LEU 30 HB1 LEU 30 2.512 4.907 -11.577 205 HB3 LEU 30 HB2 LEU 30 1.184 3.784 -11.918 206 HG LEU 30 HG LEU 30 3.623 4.271 -13.569 207 HD11 LEU 30 HD11 LEU 30 4.254 1.975 -12.874 208 HD12 LEU 30 HD12 LEU 30 2.710 1.852 -11.991 209 HD13 LEU 30 HD13 LEU 30 3.952 3.007 -11.457 210 HD21 LEU 30 HD21 LEU 30 3.017 2.309 -14.931 211 HD22 LEU 30 HD22 LEU 30 1.912 3.664 -15.155 212 HD23 LEU 30 HD23 LEU 30 1.413 2.284 -14.136 213 H ARG 31 H ARG 31 -1.065 4.916 -12.582 214 HA ARG 31 HA ARG 31 -1.372 6.843 -10.338 215 HB2 ARG 31 HB1 ARG 31 -2.393 7.919 -12.323 216 HB3 ARG 31 HB2 ARG 31 -3.538 6.572 -12.438 217 HG2 ARG 31 HG1 ARG 31 -4.579 7.158 -10.380 218 HG3 ARG 31 HG2 ARG 31 -3.262 8.230 -9.893 219 HD2 ARG 31 HD1 ARG 31 -5.035 8.790 -12.287 220 HD3 ARG 31 HD2 ARG 31 -5.396 9.358 -10.631 221 HE ARG 31 HE ARG 31 -3.190 10.597 -10.731 222 HH11 ARG 31 HH12 ARG 31 -5.059 10.145 -13.702 223 HH12 ARG 31 HH11 ARG 31 -4.339 11.565 -14.422 224 HH21 ARG 31 HH22 ARG 31 -2.241 12.204 -11.719 225 HH22 ARG 31 HH21 ARG 31 -2.746 12.762 -13.288 226 H LEU 32 H LEU 32 -1.567 5.563 -8.679 227 HA LEU 32 HA LEU 32 -2.452 2.740 -8.900 228 HB2 LEU 32 HB1 LEU 32 -0.280 3.246 -7.915 229 HB3 LEU 32 HB2 LEU 32 -1.031 4.383 -6.770 230 HG LEU 32 HG LEU 32 -2.243 2.426 -5.734 231 HD11 LEU 32 HD11 LEU 32 -0.354 0.769 -7.469 232 HD12 LEU 32 HD12 LEU 32 -2.119 0.830 -7.645 233 HD13 LEU 32 HD13 LEU 32 -1.398 0.150 -6.183 234 HD21 LEU 32 HD21 LEU 32 0.805 2.302 -5.788 235 HD22 LEU 32 HD22 LEU 32 -0.241 1.619 -4.526 236 HD23 LEU 32 HD23 LEU 32 -0.178 3.372 -4.770 237 H VAL 33 H VAL 33 -4.613 2.491 -8.675 238 HA VAL 33 HA VAL 33 -6.155 4.464 -7.050 239 HB VAL 33 HB VAL 33 -8.139 3.735 -8.252 240 HG11 VAL 33 HG11 VAL 33 -6.698 5.535 -9.206 241 HG12 VAL 33 HG12 VAL 33 -5.880 4.329 -10.213 242 HG13 VAL 33 HG13 VAL 33 -7.608 4.651 -10.440 243 HG21 VAL 33 HG21 VAL 33 -8.110 2.204 -10.127 244 HG22 VAL 33 HG22 VAL 33 -6.375 1.919 -9.951 245 HG23 VAL 33 HG23 VAL 33 -7.508 1.340 -8.707 246 H GLY 34 H GLY 34 -4.974 1.274 -6.806 247 HA2 GLY 34 HA3 GLY 34 -6.038 0.761 -4.257 248 HA3 GLY 34 HA2 GLY 34 -7.081 -0.054 -5.445 249 H ALA 35 H ALA 35 -6.212 -1.971 -4.165 250 HA ALA 35 HA ALA 35 -4.307 -3.270 -5.827 251 HB1 ALA 35 HB1 ALA 35 -2.672 -3.851 -4.171 252 HB2 ALA 35 HB2 ALA 35 -2.717 -2.111 -4.332 253 HB3 ALA 35 HB3 ALA 35 -3.480 -2.890 -2.914 254 H ARG 36 H ARG 36 -3.864 -5.759 -4.574 255 HA ARG 36 HA ARG 36 -6.316 -6.567 -3.162 256 HB2 ARG 36 HB1 ARG 36 -5.828 -7.104 -6.106 257 HB3 ARG 36 HB2 ARG 36 -6.606 -8.366 -5.118 258 HG2 ARG 36 HG1 ARG 36 -7.673 -5.607 -5.743 259 HG3 ARG 36 HG2 ARG 36 -8.302 -7.201 -6.246 260 HD2 ARG 36 HD1 ARG 36 -8.470 -7.635 -3.660 261 HD3 ARG 36 HD2 ARG 36 -8.381 -5.873 -3.514 262 HE ARG 36 HE ARG 36 -10.423 -6.336 -5.347 263 HH11 ARG 36 HH12 ARG 36 -9.855 -7.127 -1.884 264 HH12 ARG 36 HH11 ARG 36 -11.539 -7.511 -1.695 265 HH21 ARG 36 HH22 ARG 36 -12.702 -6.705 -4.694 266 HH22 ARG 36 HH21 ARG 36 -12.951 -7.239 -3.031 267 H THR 37 H THR 37 -6.117 -8.684 -2.308 268 HA THR 37 HA THR 37 -3.718 -10.268 -2.913 269 HB THR 37 HB THR 37 -2.678 -8.866 -1.379 270 HG1 THR 37 HG1 THR 37 -2.126 -10.831 -0.812 271 HG21 THR 37 HG21 THR 37 -3.493 -8.442 0.927 272 HG22 THR 37 HG22 THR 37 -5.037 -9.230 0.537 273 HG23 THR 37 HG23 THR 37 -4.563 -7.718 -0.275 274 HA PRO 38 HA PRO 38 -6.821 -13.364 -1.622 275 HB2 PRO 38 HB1 PRO 38 -5.243 -15.438 -0.732 276 HB3 PRO 38 HB2 PRO 38 -5.501 -15.026 -2.456 277 HG2 PRO 38 HG1 PRO 38 -3.178 -14.209 -0.704 278 HG3 PRO 38 HG2 PRO 38 -3.123 -14.961 -2.342 279 HD2 PRO 38 HD1 PRO 38 -2.917 -12.279 -2.053 280 HD3 PRO 38 HD2 PRO 38 -3.907 -12.969 -3.369 281 H VAL 39 H VAL 39 -4.285 -12.271 0.577 282 HA VAL 39 HA VAL 39 -5.454 -13.605 2.867 283 HB VAL 39 HB VAL 39 -3.719 -12.764 4.206 284 HG11 VAL 39 HG11 VAL 39 -1.736 -13.367 3.018 285 HG12 VAL 39 HG12 VAL 39 -3.051 -14.359 2.368 286 HG13 VAL 39 HG13 VAL 39 -2.460 -12.968 1.444 287 HG21 VAL 39 HG21 VAL 39 -3.752 -10.384 3.861 288 HG22 VAL 39 HG22 VAL 39 -2.139 -10.930 3.388 289 HG23 VAL 39 HG23 VAL 39 -3.342 -10.557 2.149 290 H ALA 40 H ALA 40 -6.704 -10.927 1.401 291 HA ALA 40 HA ALA 40 -8.148 -10.046 3.804 292 HB1 ALA 40 HB1 ALA 40 -7.540 -7.692 3.532 293 HB2 ALA 40 HB2 ALA 40 -6.064 -8.653 3.783 294 HB3 ALA 40 HB3 ALA 40 -6.497 -8.096 2.154 295 H GLU 41 H GLU 41 -9.744 -8.230 3.202 296 HA GLU 41 HA GLU 41 -10.765 -8.666 0.436 297 HB2 GLU 41 HB1 GLU 41 -12.180 -9.742 2.096 298 HB3 GLU 41 HB2 GLU 41 -12.360 -8.233 2.997 299 HG2 GLU 41 HG1 GLU 41 -14.297 -8.878 1.489 300 HG3 GLU 41 HG2 GLU 41 -13.663 -7.242 1.250 301 H ARG 42 H ARG 42 -11.665 -6.225 2.919 302 HA ARG 42 HA ARG 42 -11.842 -4.281 0.773 303 HB2 ARG 42 HB1 ARG 42 -13.428 -4.276 2.659 304 HB3 ARG 42 HB2 ARG 42 -12.117 -3.811 3.759 305 HG2 ARG 42 HG1 ARG 42 -11.734 -1.751 2.450 306 HG3 ARG 42 HG2 ARG 42 -13.017 -2.218 1.312 307 HD2 ARG 42 HD1 ARG 42 -14.694 -2.062 3.102 308 HD3 ARG 42 HD2 ARG 42 -13.404 -1.687 4.283 309 HE ARG 42 HE ARG 42 -13.139 0.461 3.370 310 HH11 ARG 42 HH12 ARG 42 -15.647 -1.149 1.454 311 HH12 ARG 42 HH11 ARG 42 -16.115 0.361 0.714 312 HH21 ARG 42 HH22 ARG 42 -13.644 2.169 2.431 313 HH22 ARG 42 HH21 ARG 42 -14.911 2.313 1.217 314 H VAL 43 H VAL 43 -10.051 -3.753 -0.087 315 HA VAL 43 HA VAL 43 -7.656 -2.786 1.283 316 HB VAL 43 HB VAL 43 -7.551 -3.974 -0.873 317 HG11 VAL 43 HG11 VAL 43 -8.275 -2.988 -2.972 318 HG12 VAL 43 HG12 VAL 43 -9.649 -3.053 -1.895 319 HG13 VAL 43 HG13 VAL 43 -8.794 -1.515 -2.180 320 HG21 VAL 43 HG21 VAL 43 -5.750 -2.413 -0.151 321 HG22 VAL 43 HG22 VAL 43 -5.863 -2.592 -1.910 322 HG23 VAL 43 HG23 VAL 43 -6.494 -1.129 -1.134 323 H GLU 44 H GLU 44 -7.139 -0.644 1.698 324 HA GLU 44 HA GLU 44 -8.445 1.520 0.139 325 HB2 GLU 44 HB1 GLU 44 -8.283 1.475 3.177 326 HB3 GLU 44 HB2 GLU 44 -8.631 2.911 2.174 327 HG2 GLU 44 HG1 GLU 44 -10.659 1.749 1.313 328 HG3 GLU 44 HG2 GLU 44 -10.345 0.424 2.456 329 H LEU 45 H LEU 45 -6.704 2.743 -0.725 330 HA LEU 45 HA LEU 45 -4.172 2.767 0.715 331 HB2 LEU 45 HB1 LEU 45 -4.430 2.644 -1.784 332 HB3 LEU 45 HB2 LEU 45 -5.011 4.308 -1.774 333 HG LEU 45 HG LEU 45 -2.434 3.705 -0.299 334 HD11 LEU 45 HD11 LEU 45 -2.043 2.430 -2.220 335 HD12 LEU 45 HD12 LEU 45 -1.172 3.936 -2.442 336 HD13 LEU 45 HD13 LEU 45 -2.723 3.663 -3.309 337 HD21 LEU 45 HD21 LEU 45 -3.366 6.012 -0.457 338 HD22 LEU 45 HD22 LEU 45 -3.263 5.896 -2.241 339 HD23 LEU 45 HD23 LEU 45 -1.787 5.873 -1.232 340 H HIS 46 H HIS 46 -3.826 3.965 2.338 341 HA HIS 46 HA HIS 46 -5.245 6.533 2.757 342 HB2 HIS 46 HB1 HIS 46 -3.844 4.625 4.630 343 HB3 HIS 46 HB2 HIS 46 -4.315 6.264 5.113 344 HD2 HIS 46 HD2 HIS 46 -6.977 4.402 3.071 345 HE1 HIS 46 HE1 HIS 46 -8.230 4.316 7.106 346 HE2 HIS 46 HE2 HIS 46 -8.892 3.753 4.713 347 H GLU 47 H GLU 47 -4.203 8.281 3.427 348 HA GLU 47 HA GLU 47 -1.296 8.585 2.794 349 HB2 GLU 47 HB1 GLU 47 -1.754 11.003 2.878 350 HB3 GLU 47 HB2 GLU 47 -2.670 10.184 1.596 351 HG2 GLU 47 HG1 GLU 47 -4.704 10.343 2.787 352 HG3 GLU 47 HG2 GLU 47 -3.903 10.714 4.326 353 H THR 48 H THR 48 -0.275 10.255 4.357 354 HA THR 48 HA THR 48 -1.373 10.322 7.104 355 HB THR 48 HB THR 48 1.397 9.259 6.480 356 HG1 THR 48 HG1 THR 48 -1.001 8.190 6.711 357 HG21 THR 48 HG21 THR 48 -0.026 9.819 9.121 358 HG22 THR 48 HG22 THR 48 1.453 10.602 8.532 359 HG23 THR 48 HG23 THR 48 1.483 8.886 8.961 360 H PHE 49 H PHE 49 -1.609 12.409 7.191 361 HA PHE 49 HA PHE 49 0.361 14.202 5.848 362 HB2 PHE 49 HB1 PHE 49 -1.555 15.718 5.611 363 HB3 PHE 49 HB2 PHE 49 -1.854 14.149 4.857 364 HD1 PHE 49 HD1 PHE 49 -2.680 16.271 7.849 365 HD2 PHE 49 HD2 PHE 49 -3.708 12.766 5.582 366 HE1 PHE 49 HE1 PHE 49 -4.789 16.096 9.094 367 HE2 PHE 49 HE2 PHE 49 -5.842 12.606 6.790 368 HZ PHE 49 HZ PHE 49 -6.397 14.259 8.558 369 H MET 50 H MET 50 0.885 16.179 6.741 370 HA MET 50 HA MET 50 -0.090 16.764 9.494 371 HB2 MET 50 HB1 MET 50 1.712 18.304 9.866 372 HB3 MET 50 HB2 MET 50 2.306 16.651 9.632 373 HG2 MET 50 HG1 MET 50 3.094 17.180 7.421 374 HG3 MET 50 HG2 MET 50 2.299 18.765 7.453 375 HE1 MET 50 HE1 MET 50 5.367 18.044 6.693 376 HE2 MET 50 HE2 MET 50 4.641 19.659 6.502 377 HE3 MET 50 HE3 MET 50 6.174 19.465 7.382 378 H ARG 51 H ARG 51 -1.562 18.196 9.568 379 HA ARG 51 HA ARG 51 -1.771 20.487 7.713 380 HB2 ARG 51 HB1 ARG 51 -3.959 18.386 8.034 381 HB3 ARG 51 HB2 ARG 51 -4.223 20.002 7.331 382 HG2 ARG 51 HG1 ARG 51 -2.607 19.522 5.555 383 HG3 ARG 51 HG2 ARG 51 -2.320 17.901 6.233 384 HD2 ARG 51 HD1 ARG 51 -4.725 17.355 5.829 385 HD3 ARG 51 HD2 ARG 51 -4.885 18.908 4.981 386 HE ARG 51 HE ARG 51 -2.904 18.017 3.571 387 HH11 ARG 51 HH12 ARG 51 -5.289 15.725 4.894 388 HH12 ARG 51 HH11 ARG 51 -4.890 14.529 3.689 389 HH21 ARG 51 HH22 ARG 51 -2.339 16.282 2.225 390 HH22 ARG 51 HH21 ARG 51 -3.183 14.764 2.432 391 H GLU 52 H GLU 52 -3.640 21.924 8.484 392 HA GLU 52 HA GLU 52 -3.292 22.223 11.399 393 HB2 GLU 52 HB1 GLU 52 -3.918 24.088 9.128 394 HB3 GLU 52 HB2 GLU 52 -4.336 24.518 10.820 395 HG2 GLU 52 HG1 GLU 52 -2.219 25.467 10.402 396 HG3 GLU 52 HG2 GLU 52 -1.958 24.076 11.461 397 H VAL 53 H VAL 53 -4.872 22.471 12.770 398 HA VAL 53 HA VAL 53 -7.717 22.015 12.004 399 HB VAL 53 HB VAL 53 -6.335 20.261 14.045 400 HG11 VAL 53 HG11 VAL 53 -9.202 20.248 12.982 401 HG12 VAL 53 HG12 VAL 53 -8.506 19.054 14.099 402 HG13 VAL 53 HG13 VAL 53 -8.704 20.728 14.616 403 HG21 VAL 53 HG21 VAL 53 -7.406 19.522 11.280 404 HG22 VAL 53 HG22 VAL 53 -5.699 19.510 11.780 405 HG23 VAL 53 HG23 VAL 53 -6.833 18.373 12.509 406 H GLU 54 H GLU 54 -6.428 21.715 15.156 407 HA GLU 54 HA GLU 54 -7.732 24.103 16.227 408 HB2 GLU 54 HB1 GLU 54 -7.419 21.880 17.399 409 HB3 GLU 54 HB2 GLU 54 -5.695 22.263 17.519 410 HG2 GLU 54 HG1 GLU 54 -6.847 24.528 18.600 411 HG3 GLU 54 HG2 GLU 54 -8.048 23.307 19.056 412 H GLY 55 H GLY 55 -6.289 25.108 14.256 413 HA2 GLY 55 HA3 GLY 55 -4.777 26.699 13.631 414 HA3 GLY 55 HA2 GLY 55 -4.346 26.904 15.344 415 H LYS 56 H LYS 56 -3.459 24.148 15.651 416 HA LYS 56 HA LYS 56 -0.690 24.523 14.856 417 HB2 LYS 56 HB1 LYS 56 -2.184 22.475 16.553 418 HB3 LYS 56 HB2 LYS 56 -0.417 22.546 16.416 419 HG2 LYS 56 HG1 LYS 56 -0.320 24.670 17.499 420 HG3 LYS 56 HG2 LYS 56 -2.076 24.912 17.406 421 HD2 LYS 56 HD1 LYS 56 -0.660 22.849 19.127 422 HD3 LYS 56 HD2 LYS 56 -1.413 24.379 19.666 423 HE2 LYS 56 HE1 LYS 56 -3.574 23.470 18.595 424 HE3 LYS 56 HE2 LYS 56 -2.775 21.897 18.536 425 HZ1 LYS 56 HZ1 LYS 56 -4.067 22.031 20.475 426 HZ2 LYS 56 HZ2 LYS 56 -3.627 23.468 20.865 427 HZ3 LYS 56 HZ3 LYS 56 -2.517 22.213 21.061 428 H LYS 57 H LYS 57 0.611 23.120 13.660 429 HA LYS 57 HA LYS 57 -0.624 21.459 11.633 430 HB2 LYS 57 HB1 LYS 57 2.288 21.307 12.417 431 HB3 LYS 57 HB2 LYS 57 1.528 21.024 10.839 432 HG2 LYS 57 HG1 LYS 57 0.956 23.562 10.915 433 HG3 LYS 57 HG2 LYS 57 2.134 23.647 12.250 434 HD2 LYS 57 HD1 LYS 57 3.149 24.317 10.149 435 HD3 LYS 57 HD2 LYS 57 3.904 22.838 10.773 436 HE2 LYS 57 HE1 LYS 57 3.619 22.804 8.319 437 HE3 LYS 57 HE2 LYS 57 2.725 21.493 9.111 438 HZ1 LYS 57 HZ1 LYS 57 1.418 24.043 8.271 439 HZ2 LYS 57 HZ2 LYS 57 0.701 22.757 8.815 440 HZ3 LYS 57 HZ3 LYS 57 1.426 22.671 7.357 441 H VAL 58 H VAL 58 -1.474 19.466 12.017 442 HA VAL 58 HA VAL 58 -0.208 17.702 14.077 443 HB VAL 58 HB VAL 58 -2.105 18.921 15.039 444 HG11 VAL 58 HG11 VAL 58 -4.425 18.449 14.386 445 HG12 VAL 58 HG12 VAL 58 -3.542 19.250 13.083 446 HG13 VAL 58 HG13 VAL 58 -3.862 17.502 12.996 447 HG21 VAL 58 HG21 VAL 58 -2.750 15.965 14.763 448 HG22 VAL 58 HG22 VAL 58 -1.500 16.644 15.833 449 HG23 VAL 58 HG23 VAL 58 -3.205 17.055 16.083 450 H MET 59 H MET 59 -0.417 15.492 13.818 451 HA MET 59 HA MET 59 -0.494 14.571 11.082 452 HB2 MET 59 HB1 MET 59 0.008 13.221 13.737 453 HB3 MET 59 HB2 MET 59 -0.008 12.330 12.193 454 HG2 MET 59 HG1 MET 59 1.781 14.705 12.779 455 HG3 MET 59 HG2 MET 59 2.269 13.006 12.937 456 HE1 MET 59 HE1 MET 59 3.643 15.342 11.307 457 HE2 MET 59 HE2 MET 59 4.349 13.711 11.414 458 HE3 MET 59 HE3 MET 59 4.166 14.495 9.826 459 H GLY 60 H GLY 60 -1.941 13.315 10.026 460 HA2 GLY 60 HA3 GLY 60 -3.926 11.748 11.514 461 HA3 GLY 60 HA2 GLY 60 -4.599 13.005 10.450 462 H MET 61 H MET 61 -5.056 10.201 10.267 463 HA MET 61 HA MET 61 -3.933 9.541 7.567 464 HB2 MET 61 HB1 MET 61 -5.004 7.763 9.787 465 HB3 MET 61 HB2 MET 61 -4.717 7.213 8.107 466 HG2 MET 61 HG1 MET 61 -2.860 6.512 9.301 467 HG3 MET 61 HG2 MET 61 -2.331 7.912 8.373 468 HE1 MET 61 HE1 MET 61 -0.913 6.349 10.960 469 HE2 MET 61 HE2 MET 61 -0.224 7.469 9.772 470 HE3 MET 61 HE3 MET 61 -0.053 7.806 11.511 471 H ARG 62 H ARG 62 -5.330 9.304 5.932 472 HA ARG 62 HA ARG 62 -8.068 8.473 6.391 473 HB2 ARG 62 HB1 ARG 62 -7.512 11.101 4.964 474 HB3 ARG 62 HB2 ARG 62 -9.012 10.167 4.736 475 HG2 ARG 62 HG1 ARG 62 -9.280 10.317 7.293 476 HG3 ARG 62 HG2 ARG 62 -8.034 11.592 7.209 477 HD2 ARG 62 HD1 ARG 62 -9.858 12.930 7.034 478 HD3 ARG 62 HD2 ARG 62 -9.690 12.543 5.319 479 HE ARG 62 HE ARG 62 -11.332 10.551 6.467 480 HH11 ARG 62 HH12 ARG 62 -11.573 14.024 5.922 481 HH12 ARG 62 HH11 ARG 62 -13.303 14.047 6.099 482 HH21 ARG 62 HH22 ARG 62 -13.597 10.625 6.643 483 HH22 ARG 62 HH21 ARG 62 -14.430 12.141 6.470 484 HA PRO 63 HA PRO 63 -7.156 6.486 2.417 485 HB2 PRO 63 HB1 PRO 63 -9.653 6.148 1.363 486 HB3 PRO 63 HB2 PRO 63 -8.962 5.089 2.613 487 HG2 PRO 63 HG1 PRO 63 -10.856 7.365 2.960 488 HG3 PRO 63 HG2 PRO 63 -10.867 5.780 3.789 489 HD2 PRO 63 HD1 PRO 63 -9.902 8.091 4.931 490 HD3 PRO 63 HD2 PRO 63 -9.220 6.486 5.305 491 H VAL 64 H VAL 64 -6.805 7.116 0.362 492 HA VAL 64 HA VAL 64 -8.075 9.642 -0.646 493 HB VAL 64 HB VAL 64 -6.129 9.636 -2.318 494 HG11 VAL 64 HG11 VAL 64 -6.358 11.295 -0.524 495 HG12 VAL 64 HG12 VAL 64 -5.520 10.211 0.606 496 HG13 VAL 64 HG13 VAL 64 -4.656 10.881 -0.795 497 HG21 VAL 64 HG21 VAL 64 -4.740 7.933 -0.213 498 HG22 VAL 64 HG22 VAL 64 -5.256 7.351 -1.817 499 HG23 VAL 64 HG23 VAL 64 -4.027 8.620 -1.677 500 HA PRO 65 HA PRO 65 -9.802 7.047 -3.840 501 HB2 PRO 65 HB1 PRO 65 -9.956 8.685 -6.015 502 HB3 PRO 65 HB2 PRO 65 -10.976 8.912 -4.563 503 HG2 PRO 65 HG1 PRO 65 -8.367 10.309 -5.228 504 HG3 PRO 65 HG2 PRO 65 -9.924 11.061 -4.729 505 HD2 PRO 65 HD1 PRO 65 -7.944 10.569 -2.927 506 HD3 PRO 65 HD2 PRO 65 -9.661 10.313 -2.494 507 H PHE 66 H PHE 66 -6.534 8.311 -4.131 508 HA PHE 66 HA PHE 66 -5.540 6.091 -5.481 509 HB2 PHE 66 HB1 PHE 66 -4.837 7.047 -7.610 510 HB3 PHE 66 HB2 PHE 66 -6.586 6.868 -7.498 511 HD1 PHE 66 HD2 PHE 66 -3.792 9.349 -7.454 512 HD2 PHE 66 HD1 PHE 66 -8.050 8.733 -7.762 513 HE1 PHE 66 HE2 PHE 66 -4.069 11.684 -8.202 514 HE2 PHE 66 HE1 PHE 66 -8.326 11.076 -8.532 515 HZ PHE 66 HZ PHE 66 -6.333 12.559 -8.754 516 H LEU 67 H LEU 67 -3.317 6.269 -5.903 517 HA LEU 67 HA LEU 67 -1.891 8.743 -5.101 518 HB2 LEU 67 HB1 LEU 67 -1.380 5.951 -4.356 519 HB3 LEU 67 HB2 LEU 67 -0.005 6.594 -5.269 520 HG LEU 67 HG LEU 67 -1.205 7.750 -2.728 521 HD11 LEU 67 HD11 LEU 67 1.481 6.384 -3.408 522 HD12 LEU 67 HD12 LEU 67 0.183 5.679 -2.431 523 HD13 LEU 67 HD13 LEU 67 1.083 7.075 -1.835 524 HD21 LEU 67 HD21 LEU 67 0.841 9.253 -2.752 525 HD22 LEU 67 HD22 LEU 67 -0.302 9.640 -4.031 526 HD23 LEU 67 HD23 LEU 67 1.174 8.722 -4.411 527 H GLU 68 H GLU 68 0.316 8.756 -6.482 528 HA GLU 68 HA GLU 68 0.146 7.389 -9.015 529 HB2 GLU 68 HB1 GLU 68 -0.051 9.197 -10.491 530 HB3 GLU 68 HB2 GLU 68 -1.411 9.296 -9.364 531 HG2 GLU 68 HG1 GLU 68 -0.153 11.112 -8.136 532 HG3 GLU 68 HG2 GLU 68 1.087 11.027 -9.411 533 H VAL 69 H VAL 69 1.918 8.041 -10.495 534 HA VAL 69 HA VAL 69 4.377 8.769 -9.045 535 HB VAL 69 HB VAL 69 4.186 6.095 -10.524 536 HG11 VAL 69 HG11 VAL 69 6.465 6.945 -10.295 537 HG12 VAL 69 HG12 VAL 69 6.241 7.164 -8.549 538 HG13 VAL 69 HG13 VAL 69 6.247 5.536 -9.261 539 HG21 VAL 69 HG21 VAL 69 4.185 4.900 -8.353 540 HG22 VAL 69 HG22 VAL 69 3.878 6.436 -7.522 541 HG23 VAL 69 HG23 VAL 69 2.683 5.767 -8.658 542 HA PRO 70 HA PRO 70 5.154 10.147 -13.257 543 HB2 PRO 70 HB1 PRO 70 7.758 10.956 -13.100 544 HB3 PRO 70 HB2 PRO 70 6.409 11.855 -12.344 545 HG2 PRO 70 HG1 PRO 70 8.260 9.828 -11.043 546 HG3 PRO 70 HG2 PRO 70 7.838 11.474 -10.448 547 HD2 PRO 70 HD1 PRO 70 6.557 9.245 -9.539 548 HD3 PRO 70 HD2 PRO 70 5.670 10.774 -9.805 549 HA PRO 71 HA PRO 71 7.406 6.840 -15.404 550 HB2 PRO 71 HB1 PRO 71 8.771 8.297 -17.330 551 HB3 PRO 71 HB2 PRO 71 7.091 7.668 -17.399 552 HG2 PRO 71 HG1 PRO 71 8.025 10.449 -16.864 553 HG3 PRO 71 HG2 PRO 71 6.505 9.878 -17.669 554 HD2 PRO 71 HD1 PRO 71 6.663 10.798 -15.059 555 HD3 PRO 71 HD2 PRO 71 5.405 9.703 -15.678 556 H LYS 72 H LYS 72 9.481 5.854 -15.484 557 HA LYS 72 HA LYS 72 11.295 5.211 -14.454 558 HB2 LYS 72 HB1 LYS 72 11.774 7.656 -15.802 559 HB3 LYS 72 HB2 LYS 72 12.741 7.710 -14.303 560 HG2 LYS 72 HG1 LYS 72 14.039 6.643 -15.994 561 HG3 LYS 72 HG2 LYS 72 13.557 5.442 -14.780 562 HD2 LYS 72 HD1 LYS 72 13.598 4.612 -17.116 563 HD3 LYS 72 HD2 LYS 72 12.045 4.388 -16.298 564 HE2 LYS 72 HE1 LYS 72 11.093 6.270 -17.535 565 HE3 LYS 72 HE2 LYS 72 12.662 6.620 -18.284 566 HZ1 LYS 72 HZ1 LYS 72 12.537 4.411 -19.332 567 HZ2 LYS 72 HZ2 LYS 72 11.285 5.333 -19.767 568 HZ3 LYS 72 HZ3 LYS 72 11.060 4.147 -18.656 569 H GLY 73 H GLY 73 9.344 6.918 -12.768 570 HA2 GLY 73 HA3 GLY 73 10.778 7.558 -10.346 571 HA3 GLY 73 HA2 GLY 73 9.015 7.594 -10.573 572 H ARG 74 H ARG 74 11.551 6.155 -9.167 573 HA ARG 74 HA ARG 74 9.947 3.944 -7.982 574 HB2 ARG 74 HB1 ARG 74 12.256 3.318 -8.053 575 HB3 ARG 74 HB2 ARG 74 12.795 4.927 -7.514 576 HG2 ARG 74 HG1 ARG 74 11.875 4.538 -5.299 577 HG3 ARG 74 HG2 ARG 74 11.234 2.967 -5.795 578 HD2 ARG 74 HD1 ARG 74 13.409 1.999 -5.885 579 HD3 ARG 74 HD2 ARG 74 14.199 3.600 -5.918 580 HE ARG 74 HE ARG 74 13.157 3.868 -3.556 581 HH11 ARG 74 HH12 ARG 74 14.210 0.616 -4.587 582 HH12 ARG 74 HH11 ARG 74 14.334 0.129 -2.907 583 HH21 ARG 74 HH22 ARG 74 13.522 3.221 -1.629 584 HH22 ARG 74 HH21 ARG 74 14.117 1.569 -1.288 585 H VAL 75 H VAL 75 8.838 4.212 -6.139 586 HA VAL 75 HA VAL 75 9.486 6.351 -4.225 587 HB VAL 75 HB VAL 75 7.068 7.023 -3.963 588 HG11 VAL 75 HG11 VAL 75 8.187 7.901 -6.646 589 HG12 VAL 75 HG12 VAL 75 7.089 8.783 -5.574 590 HG13 VAL 75 HG13 VAL 75 8.763 8.502 -5.068 591 HG21 VAL 75 HG21 VAL 75 6.764 5.695 -6.696 592 HG22 VAL 75 HG22 VAL 75 5.861 5.338 -5.205 593 HG23 VAL 75 HG23 VAL 75 5.616 6.877 -6.020 594 H GLU 76 H GLU 76 9.372 5.511 -2.183 595 HA GLU 76 HA GLU 76 8.028 2.905 -1.826 596 HB2 GLU 76 HB1 GLU 76 9.387 4.382 0.395 597 HB3 GLU 76 HB2 GLU 76 9.141 2.631 0.155 598 HG2 GLU 76 HG1 GLU 76 11.446 3.009 -0.123 599 HG3 GLU 76 HG2 GLU 76 10.801 2.774 -1.753 600 H LEU 77 H LEU 77 6.102 2.569 -0.934 601 HA LEU 77 HA LEU 77 4.605 4.675 0.459 602 HB2 LEU 77 HB1 LEU 77 4.162 1.722 -0.049 603 HB3 LEU 77 HB2 LEU 77 3.203 2.622 1.169 604 HG LEU 77 HG LEU 77 2.597 4.250 -0.696 605 HD11 LEU 77 HD11 LEU 77 2.619 3.313 -3.016 606 HD12 LEU 77 HD12 LEU 77 3.671 1.996 -2.457 607 HD13 LEU 77 HD13 LEU 77 4.237 3.680 -2.420 608 HD21 LEU 77 HD21 LEU 77 1.628 1.369 -0.865 609 HD22 LEU 77 HD22 LEU 77 0.787 2.786 -1.524 610 HD23 LEU 77 HD23 LEU 77 1.015 2.635 0.222 611 H LYS 78 H LYS 78 4.635 5.098 2.539 612 HA LYS 78 HA LYS 78 6.346 3.567 4.386 613 HB2 LYS 78 HB1 LYS 78 7.558 5.773 4.878 614 HB3 LYS 78 HB2 LYS 78 7.970 4.905 3.376 615 HG2 LYS 78 HG1 LYS 78 6.646 6.481 2.066 616 HG3 LYS 78 HG2 LYS 78 6.120 7.324 3.531 617 HD2 LYS 78 HD1 LYS 78 7.865 8.612 2.487 618 HD3 LYS 78 HD2 LYS 78 8.500 7.919 3.995 619 HE2 LYS 78 HE1 LYS 78 10.236 7.722 2.382 620 HE3 LYS 78 HE2 LYS 78 9.570 6.093 2.560 621 HZ1 LYS 78 HZ1 LYS 78 9.014 7.971 0.325 622 HZ2 LYS 78 HZ2 LYS 78 8.314 6.496 0.493 623 HZ3 LYS 78 HZ3 LYS 78 9.923 6.623 0.240 624 HA PRO 79 HA PRO 79 3.064 4.523 7.070 625 HB2 PRO 79 HB1 PRO 79 4.147 4.233 9.577 626 HB3 PRO 79 HB2 PRO 79 3.863 2.873 8.447 627 HG2 PRO 79 HG1 PRO 79 6.436 4.418 8.885 628 HG3 PRO 79 HG2 PRO 79 6.209 2.634 8.862 629 HD2 PRO 79 HD1 PRO 79 7.077 3.957 6.660 630 HD3 PRO 79 HD2 PRO 79 5.894 2.622 6.510 631 H GLY 80 H GLY 80 5.839 6.653 7.271 632 HA2 GLY 80 HA3 GLY 80 3.926 8.833 7.958 633 HA3 GLY 80 HA2 GLY 80 5.694 9.000 8.059 634 H GLY 81 H GLY 81 2.929 9.051 6.021 635 HA2 GLY 81 HA3 GLY 81 3.529 10.344 3.801 636 HA3 GLY 81 HA2 GLY 81 4.397 8.826 3.478 637 H TYR 82 H TYR 82 3.121 6.826 3.439 638 HA TYR 82 HA TYR 82 0.267 6.968 2.752 639 HB2 TYR 82 HB1 TYR 82 2.302 6.341 0.598 640 HB3 TYR 82 HB2 TYR 82 0.539 6.308 0.443 641 HD1 TYR 82 HD1 TYR 82 -0.758 8.461 0.440 642 HD2 TYR 82 HD2 TYR 82 3.552 8.370 0.446 643 HE1 TYR 82 HE1 TYR 82 -0.709 10.870 -0.173 644 HE2 TYR 82 HE2 TYR 82 3.615 10.776 -0.146 645 HH TYR 82 HH TYR 82 0.610 12.699 -0.546 646 H HIS 83 H HIS 83 -0.709 4.897 2.687 647 HA HIS 83 HA HIS 83 0.902 2.460 2.658 648 HB2 HIS 83 HB1 HIS 83 0.343 1.775 4.943 649 HB3 HIS 83 HB2 HIS 83 1.355 3.221 4.956 650 HD1 HIS 83 HD1 HIS 83 0.017 5.573 5.735 651 HD2 HIS 83 HD2 HIS 83 -2.054 1.908 6.054 652 HE1 HIS 83 HE1 HIS 83 -2.042 6.027 7.132 653 H PHE 84 H PHE 84 -0.462 0.502 2.750 654 HA PHE 84 HA PHE 84 -3.298 1.049 1.961 655 HB2 PHE 84 HB1 PHE 84 -1.485 -1.360 1.734 656 HB3 PHE 84 HB2 PHE 84 -3.249 -1.460 1.520 657 HD1 PHE 84 HD1 PHE 84 -4.270 0.282 -0.225 658 HD2 PHE 84 HD2 PHE 84 -0.174 -1.075 -0.175 659 HE1 PHE 84 HE1 PHE 84 -4.150 0.543 -2.687 660 HE2 PHE 84 HE2 PHE 84 -0.023 -0.679 -2.625 661 HZ PHE 84 HZ PHE 84 -2.020 0.133 -3.871 662 H MET 85 H MET 85 -4.903 0.645 3.287 663 HA MET 85 HA MET 85 -4.572 -0.998 5.760 664 HB2 MET 85 HB1 MET 85 -6.602 0.999 4.768 665 HB3 MET 85 HB2 MET 85 -7.096 -0.239 5.947 666 HG2 MET 85 HG1 MET 85 -4.735 1.612 6.388 667 HG3 MET 85 HG2 MET 85 -6.403 1.973 6.917 668 HE1 MET 85 HE1 MET 85 -3.324 -0.435 7.276 669 HE2 MET 85 HE2 MET 85 -3.152 1.041 8.253 670 HE3 MET 85 HE3 MET 85 -3.317 -0.554 9.042 671 H LEU 86 H LEU 86 -5.431 -2.932 5.965 672 HA LEU 86 HA LEU 86 -7.029 -4.113 3.720 673 HB2 LEU 86 HB1 LEU 86 -4.718 -5.256 5.342 674 HB3 LEU 86 HB2 LEU 86 -5.868 -6.292 4.468 675 HG LEU 86 HG LEU 86 -3.953 -6.207 3.162 676 HD11 LEU 86 HD11 LEU 86 -4.634 -5.254 1.060 677 HD12 LEU 86 HD12 LEU 86 -5.722 -4.103 1.854 678 HD13 LEU 86 HD13 LEU 86 -6.091 -5.838 1.885 679 HD21 LEU 86 HD21 LEU 86 -2.712 -4.286 2.463 680 HD22 LEU 86 HD22 LEU 86 -2.875 -4.233 4.230 681 HD23 LEU 86 HD23 LEU 86 -3.864 -3.172 3.202 682 H LEU 87 H LEU 87 -8.938 -4.812 4.395 683 HA LEU 87 HA LEU 87 -9.374 -5.522 7.262 684 HB2 LEU 87 HB1 LEU 87 -10.345 -3.311 5.756 685 HB3 LEU 87 HB2 LEU 87 -11.725 -4.407 5.926 686 HG LEU 87 HG LEU 87 -10.022 -3.477 8.268 687 HD11 LEU 87 HD11 LEU 87 -11.052 -1.525 7.178 688 HD12 LEU 87 HD12 LEU 87 -11.840 -1.855 8.731 689 HD13 LEU 87 HD13 LEU 87 -12.644 -2.321 7.215 690 HD21 LEU 87 HD21 LEU 87 -12.068 -4.135 9.580 691 HD22 LEU 87 HD22 LEU 87 -11.317 -5.508 8.762 692 HD23 LEU 87 HD23 LEU 87 -12.790 -4.771 8.089 693 H GLY 88 H GLY 88 -10.851 -7.147 7.705 694 HA2 GLY 88 HA3 GLY 88 -12.198 -9.021 7.307 695 HA3 GLY 88 HA2 GLY 88 -12.346 -8.541 5.601 696 H LEU 89 H LEU 89 -9.665 -9.549 7.823 697 HA LEU 89 HA LEU 89 -8.094 -10.616 5.707 698 HB2 LEU 89 HB1 LEU 89 -7.840 -11.293 8.628 699 HB3 LEU 89 HB2 LEU 89 -6.619 -11.516 7.350 700 HG LEU 89 HG LEU 89 -7.577 -8.977 8.660 701 HD11 LEU 89 HD11 LEU 89 -5.262 -8.670 9.185 702 HD12 LEU 89 HD12 LEU 89 -4.769 -10.015 8.132 703 HD13 LEU 89 HD13 LEU 89 -5.684 -10.333 9.623 704 HD21 LEU 89 HD21 LEU 89 -7.546 -8.390 6.259 705 HD22 LEU 89 HD22 LEU 89 -5.913 -9.085 6.111 706 HD23 LEU 89 HD23 LEU 89 -6.199 -7.639 7.105 707 H LYS 90 H LYS 90 -8.251 -12.416 4.571 708 HA LYS 90 HA LYS 90 -10.435 -14.232 5.157 709 HB2 LYS 90 HB1 LYS 90 -8.318 -14.382 2.979 710 HB3 LYS 90 HB2 LYS 90 -9.850 -15.291 3.047 711 HG2 LYS 90 HG1 LYS 90 -10.896 -12.846 3.186 712 HG3 LYS 90 HG2 LYS 90 -9.351 -12.379 2.443 713 HD2 LYS 90 HD1 LYS 90 -9.774 -13.814 0.527 714 HD3 LYS 90 HD2 LYS 90 -11.182 -14.561 1.355 715 HE2 LYS 90 HE1 LYS 90 -12.297 -13.143 -0.013 716 HE3 LYS 90 HE2 LYS 90 -12.101 -12.091 1.396 717 HZ1 LYS 90 HZ1 LYS 90 -10.181 -11.103 0.257 718 HZ2 LYS 90 HZ2 LYS 90 -11.570 -10.942 -0.594 719 HZ3 LYS 90 HZ3 LYS 90 -10.445 -12.055 -1.059 720 H ARG 91 H ARG 91 -7.272 -14.291 6.247 721 HA ARG 91 HA ARG 91 -7.411 -16.788 7.550 722 HB2 ARG 91 HB1 ARG 91 -5.501 -17.922 6.335 723 HB3 ARG 91 HB2 ARG 91 -7.093 -17.939 5.533 724 HG2 ARG 91 HG1 ARG 91 -5.728 -17.558 3.764 725 HG3 ARG 91 HG2 ARG 91 -6.141 -15.898 4.171 726 HD2 ARG 91 HD1 ARG 91 -3.823 -15.954 3.669 727 HD3 ARG 91 HD2 ARG 91 -3.909 -15.762 5.413 728 HE ARG 91 HE ARG 91 -3.787 -18.535 4.834 729 HH11 ARG 91 HH12 ARG 91 -1.625 -15.717 4.561 730 HH12 ARG 91 HH11 ARG 91 -0.208 -16.708 4.835 731 HH21 ARG 91 HH22 ARG 91 -1.841 -19.713 5.003 732 HH22 ARG 91 HH21 ARG 91 -0.321 -18.860 5.015 733 HA PRO 92 HA PRO 92 -3.997 -14.615 9.575 734 HB2 PRO 92 HB1 PRO 92 -3.037 -16.546 11.241 735 HB3 PRO 92 HB2 PRO 92 -4.612 -15.746 11.519 736 HG2 PRO 92 HG1 PRO 92 -4.091 -18.407 10.165 737 HG3 PRO 92 HG2 PRO 92 -5.289 -18.041 11.458 738 HD2 PRO 92 HD1 PRO 92 -5.966 -18.113 8.801 739 HD3 PRO 92 HD2 PRO 92 -6.725 -16.959 9.936 740 H LEU 93 H LEU 93 -1.669 -14.650 9.532 741 HA LEU 93 HA LEU 93 -0.602 -16.128 7.173 742 HB2 LEU 93 HB1 LEU 93 0.115 -13.419 8.343 743 HB3 LEU 93 HB2 LEU 93 0.855 -14.188 6.911 744 HG LEU 93 HG LEU 93 -1.444 -14.042 5.815 745 HD11 LEU 93 HD11 LEU 93 -1.913 -11.989 8.036 746 HD12 LEU 93 HD12 LEU 93 -2.892 -13.429 7.730 747 HD13 LEU 93 HD13 LEU 93 -2.865 -12.132 6.548 748 HD21 LEU 93 HD21 LEU 93 0.150 -11.536 6.529 749 HD22 LEU 93 HD22 LEU 93 -0.982 -11.673 5.171 750 HD23 LEU 93 HD23 LEU 93 0.473 -12.667 5.197 751 H LYS 94 H LYS 94 1.727 -16.520 7.125 752 HA LYS 94 HA LYS 94 2.929 -16.964 9.848 753 HB2 LYS 94 HB1 LYS 94 2.845 -18.672 7.407 754 HB3 LYS 94 HB2 LYS 94 4.380 -18.641 8.300 755 HG2 LYS 94 HG1 LYS 94 2.936 -20.535 8.913 756 HG3 LYS 94 HG2 LYS 94 3.317 -19.484 10.289 757 HD2 LYS 94 HD1 LYS 94 1.123 -18.562 10.314 758 HD3 LYS 94 HD2 LYS 94 0.756 -19.183 8.684 759 HE2 LYS 94 HE1 LYS 94 -0.412 -20.494 10.396 760 HE3 LYS 94 HE2 LYS 94 0.789 -21.484 9.536 761 HZ1 LYS 94 HZ1 LYS 94 2.270 -21.154 11.420 762 HZ2 LYS 94 HZ2 LYS 94 0.861 -21.828 11.938 763 HZ3 LYS 94 HZ3 LYS 94 1.159 -20.228 12.196 764 H ALA 95 H ALA 95 4.624 -15.863 10.318 765 HA ALA 95 HA ALA 95 6.136 -14.202 8.479 766 HB1 ALA 95 HB1 ALA 95 7.735 -14.025 10.340 767 HB2 ALA 95 HB2 ALA 95 6.075 -13.768 10.904 768 HB3 ALA 95 HB3 ALA 95 6.900 -15.322 11.212 769 H GLY 96 H GLY 96 7.414 -14.863 6.911 770 HA2 GLY 96 HA3 GLY 96 9.278 -16.232 6.072 771 HA3 GLY 96 HA2 GLY 96 8.590 -17.603 6.972 772 H GLU 97 H GLU 97 5.818 -16.276 5.808 773 HA GLU 97 HA GLU 97 5.803 -17.657 3.197 774 HB2 GLU 97 HB1 GLU 97 3.763 -15.953 4.684 775 HB3 GLU 97 HB2 GLU 97 3.488 -16.654 3.073 776 HG2 GLU 97 HG1 GLU 97 3.636 -18.894 3.957 777 HG3 GLU 97 HG2 GLU 97 4.072 -18.285 5.561 778 H GLU 98 H GLU 98 5.206 -16.438 1.303 779 HA GLU 98 HA GLU 98 5.534 -13.503 1.424 780 HB2 GLU 98 HB1 GLU 98 6.037 -15.261 -0.998 781 HB3 GLU 98 HB2 GLU 98 5.940 -13.474 -0.956 782 HG2 GLU 98 HG1 GLU 98 7.876 -13.851 0.883 783 HG3 GLU 98 HG2 GLU 98 8.161 -15.290 -0.109 784 H VAL 99 H VAL 99 4.002 -12.392 0.152 785 HA VAL 99 HA VAL 99 1.446 -13.865 -0.440 786 HB VAL 99 HB VAL 99 1.918 -11.220 1.002 787 HG11 VAL 99 HG11 VAL 99 -0.595 -10.988 1.029 788 HG12 VAL 99 HG12 VAL 99 0.127 -10.698 -0.549 789 HG13 VAL 99 HG13 VAL 99 -0.679 -12.252 -0.217 790 HG21 VAL 99 HG21 VAL 99 0.290 -13.700 1.742 791 HG22 VAL 99 HG22 VAL 99 1.902 -13.336 2.360 792 HG23 VAL 99 HG23 VAL 99 0.554 -12.261 2.758 793 H GLU 100 H GLU 100 0.896 -13.690 -2.503 794 HA GLU 100 HA GLU 100 1.994 -11.654 -4.300 795 HB2 GLU 100 HB1 GLU 100 -0.212 -13.703 -4.654 796 HB3 GLU 100 HB2 GLU 100 0.302 -12.530 -5.903 797 HG2 GLU 100 HG1 GLU 100 2.629 -13.556 -5.708 798 HG3 GLU 100 HG2 GLU 100 1.883 -14.862 -4.773 799 H LEU 101 H LEU 101 0.943 -9.880 -5.123 800 HA LEU 101 HA LEU 101 -1.731 -9.177 -4.229 801 HB2 LEU 101 HB1 LEU 101 -0.297 -8.649 -2.368 802 HB3 LEU 101 HB2 LEU 101 0.802 -7.738 -3.404 803 HG LEU 101 HG LEU 101 -1.968 -6.905 -2.603 804 HD11 LEU 101 HD11 LEU 101 -0.814 -5.297 -1.178 805 HD12 LEU 101 HD12 LEU 101 0.756 -5.961 -1.691 806 HD13 LEU 101 HD13 LEU 101 -0.386 -6.966 -0.749 807 HD21 LEU 101 HD21 LEU 101 -0.884 -4.623 -3.400 808 HD22 LEU 101 HD22 LEU 101 -1.569 -5.736 -4.613 809 HD23 LEU 101 HD23 LEU 101 0.191 -5.650 -4.343 810 H ASP 102 H ASP 102 -2.758 -8.051 -5.669 811 HA ASP 102 HA ASP 102 -1.530 -7.284 -8.259 812 HB2 ASP 102 HB1 ASP 102 -4.116 -8.281 -7.256 813 HB3 ASP 102 HB2 ASP 102 -4.256 -7.008 -8.475 814 H LEU 103 H LEU 103 -0.816 -5.236 -8.411 815 HA LEU 103 HA LEU 103 -2.017 -3.031 -6.890 816 HB2 LEU 103 HB1 LEU 103 0.217 -3.187 -8.954 817 HB3 LEU 103 HB2 LEU 103 -0.187 -1.743 -8.017 818 HG LEU 103 HG LEU 103 0.756 -4.390 -6.805 819 HD11 LEU 103 HD11 LEU 103 2.942 -3.319 -6.575 820 HD12 LEU 103 HD12 LEU 103 2.337 -1.860 -7.392 821 HD13 LEU 103 HD13 LEU 103 2.469 -3.392 -8.278 822 HD21 LEU 103 HD21 LEU 103 1.151 -3.064 -4.780 823 HD22 LEU 103 HD22 LEU 103 -0.543 -2.936 -5.243 824 HD23 LEU 103 HD23 LEU 103 0.565 -1.591 -5.587 825 H LEU 104 H LEU 104 -3.676 -1.860 -7.601 826 HA LEU 104 HA LEU 104 -4.618 -2.205 -10.382 827 HB2 LEU 104 HB1 LEU 104 -5.977 -0.643 -8.179 828 HB3 LEU 104 HB2 LEU 104 -6.685 -1.293 -9.667 829 HG LEU 104 HG LEU 104 -5.828 -2.792 -7.209 830 HD11 LEU 104 HD11 LEU 104 -8.566 -2.423 -8.473 831 HD12 LEU 104 HD12 LEU 104 -7.964 -1.581 -7.030 832 HD13 LEU 104 HD13 LEU 104 -8.211 -3.334 -6.990 833 HD21 LEU 104 HD21 LEU 104 -6.734 -4.851 -8.286 834 HD22 LEU 104 HD22 LEU 104 -5.322 -4.228 -9.141 835 HD23 LEU 104 HD23 LEU 104 -6.949 -3.945 -9.801 836 H PHE 105 H PHE 105 -3.757 -0.862 -11.841 837 HA PHE 105 HA PHE 105 -3.327 1.992 -11.072 838 HB2 PHE 105 HB1 PHE 105 -2.170 0.357 -13.331 839 HB3 PHE 105 HB2 PHE 105 -1.806 2.029 -13.058 840 HD1 PHE 105 HD1 PHE 105 -0.627 2.493 -10.636 841 HD2 PHE 105 HD2 PHE 105 -0.907 -1.367 -12.530 842 HE1 PHE 105 HE1 PHE 105 1.284 1.672 -9.282 843 HE2 PHE 105 HE2 PHE 105 0.943 -2.204 -11.185 844 HZ PHE 105 HZ PHE 105 2.102 -0.664 -9.558 845 H ALA 106 H ALA 106 -4.599 3.429 -11.944 846 HA ALA 106 HA ALA 106 -6.532 4.251 -12.904 847 HB1 ALA 106 HB1 ALA 106 -4.928 3.441 -15.362 848 HB2 ALA 106 HB2 ALA 106 -6.151 4.720 -15.275 849 HB3 ALA 106 HB3 ALA 106 -4.640 4.890 -14.361 850 H GLY 107 H GLY 107 -7.075 1.651 -12.055 851 HA2 GLY 107 HA3 GLY 107 -8.801 0.112 -12.204 852 HA3 GLY 107 HA2 GLY 107 -9.309 0.831 -13.749 853 H GLY 108 H GLY 108 -7.722 0.447 -15.603 854 HA2 GLY 108 HA3 GLY 108 -8.020 -2.355 -16.003 855 HA3 GLY 108 HA2 GLY 108 -7.402 -1.179 -17.186 856 H LYS 109 H LYS 109 -4.988 -0.529 -15.342 857 HA LYS 109 HA LYS 109 -3.369 -2.886 -16.189 858 HB2 LYS 109 HB1 LYS 109 -2.549 -0.732 -16.809 859 HB3 LYS 109 HB2 LYS 109 -2.701 -0.123 -15.183 860 HG2 LYS 109 HG1 LYS 109 -0.913 -1.894 -14.557 861 HG3 LYS 109 HG2 LYS 109 -0.730 -2.159 -16.303 862 HD2 LYS 109 HD1 LYS 109 0.012 0.134 -16.625 863 HD3 LYS 109 HD2 LYS 109 -0.385 0.542 -14.931 864 HE2 LYS 109 HE1 LYS 109 1.993 0.265 -15.075 865 HE3 LYS 109 HE2 LYS 109 1.319 -1.097 -14.161 866 HZ1 LYS 109 HZ1 LYS 109 1.512 -2.424 -16.177 867 HZ2 LYS 109 HZ2 LYS 109 2.981 -1.785 -15.794 868 HZ3 LYS 109 HZ3 LYS 109 2.109 -1.139 -17.022 869 H VAL 110 H VAL 110 -4.386 -4.316 -14.720 870 HA VAL 110 HA VAL 110 -3.611 -4.029 -11.861 871 HB VAL 110 HB VAL 110 -5.810 -4.561 -11.910 872 HG11 VAL 110 HG11 VAL 110 -6.877 -6.397 -13.188 873 HG12 VAL 110 HG12 VAL 110 -6.219 -5.107 -14.196 874 HG13 VAL 110 HG13 VAL 110 -5.347 -6.653 -14.057 875 HG21 VAL 110 HG21 VAL 110 -4.593 -7.324 -11.619 876 HG22 VAL 110 HG22 VAL 110 -4.425 -6.019 -10.422 877 HG23 VAL 110 HG23 VAL 110 -6.031 -6.668 -10.814 878 H LEU 111 H LEU 111 -1.611 -4.596 -11.454 879 HA LEU 111 HA LEU 111 -0.354 -6.992 -12.766 880 HB2 LEU 111 HB1 LEU 111 0.595 -4.205 -12.113 881 HB3 LEU 111 HB2 LEU 111 1.768 -5.525 -12.181 882 HG LEU 111 HG LEU 111 1.503 -3.957 -14.124 883 HD11 LEU 111 HD11 LEU 111 2.852 -6.010 -14.200 884 HD12 LEU 111 HD12 LEU 111 2.061 -5.739 -15.763 885 HD13 LEU 111 HD13 LEU 111 1.415 -6.958 -14.640 886 HD21 LEU 111 HD21 LEU 111 -0.961 -4.084 -14.374 887 HD22 LEU 111 HD22 LEU 111 -0.771 -5.738 -15.004 888 HD23 LEU 111 HD23 LEU 111 -0.055 -4.379 -15.876 889 H LYS 112 H LYS 112 0.101 -8.556 -11.254 890 HA LYS 112 HA LYS 112 0.379 -7.769 -8.525 891 HB2 LYS 112 HB1 LYS 112 0.753 -10.123 -7.985 892 HB3 LYS 112 HB2 LYS 112 -0.770 -9.770 -8.813 893 HG2 LYS 112 HG1 LYS 112 0.029 -10.754 -10.858 894 HG3 LYS 112 HG2 LYS 112 1.693 -10.858 -10.232 895 HD2 LYS 112 HD1 LYS 112 1.068 -12.480 -8.574 896 HD3 LYS 112 HD2 LYS 112 -0.667 -12.253 -8.895 897 HE2 LYS 112 HE1 LYS 112 -0.496 -13.305 -11.044 898 HE3 LYS 112 HE2 LYS 112 1.280 -13.265 -10.999 899 HZ1 LYS 112 HZ1 LYS 112 1.238 -14.846 -9.197 900 HZ2 LYS 112 HZ2 LYS 112 0.264 -15.479 -10.376 901 HZ3 LYS 112 HZ3 LYS 112 -0.302 -14.760 -8.983 902 H VAL 113 H VAL 113 1.847 -7.731 -7.163 903 HA VAL 113 HA VAL 113 4.703 -8.374 -7.839 904 HB VAL 113 HB VAL 113 5.387 -7.001 -5.914 905 HG11 VAL 113 HG11 VAL 113 3.846 -5.433 -8.021 906 HG12 VAL 113 HG12 VAL 113 5.157 -4.812 -6.997 907 HG13 VAL 113 HG13 VAL 113 5.488 -6.082 -8.188 908 HG21 VAL 113 HG21 VAL 113 3.909 -5.357 -4.882 909 HG22 VAL 113 HG22 VAL 113 2.530 -5.930 -5.837 910 HG23 VAL 113 HG23 VAL 113 3.267 -6.979 -4.608 911 H VAL 114 H VAL 114 5.861 -9.219 -5.821 912 HA VAL 114 HA VAL 114 4.108 -10.757 -4.003 913 HB VAL 114 HB VAL 114 4.976 -12.289 -5.721 914 HG11 VAL 114 HG11 VAL 114 7.779 -11.649 -4.713 915 HG12 VAL 114 HG12 VAL 114 7.328 -12.882 -5.901 916 HG13 VAL 114 HG13 VAL 114 7.114 -11.170 -6.291 917 HG21 VAL 114 HG21 VAL 114 4.530 -13.052 -3.398 918 HG22 VAL 114 HG22 VAL 114 5.780 -14.008 -4.217 919 HG23 VAL 114 HG23 VAL 114 6.249 -12.786 -3.020 920 H LEU 115 H LEU 115 4.780 -10.728 -1.896 921 HA LEU 115 HA LEU 115 7.226 -9.225 -1.123 922 HB2 LEU 115 HB1 LEU 115 4.364 -8.563 -0.294 923 HB3 LEU 115 HB2 LEU 115 5.809 -7.756 0.322 924 HG LEU 115 HG LEU 115 4.813 -7.608 -2.559 925 HD11 LEU 115 HD11 LEU 115 3.240 -6.566 -0.978 926 HD12 LEU 115 HD12 LEU 115 4.061 -5.350 -1.968 927 HD13 LEU 115 HD13 LEU 115 4.561 -5.602 -0.279 928 HD21 LEU 115 HD21 LEU 115 6.386 -5.712 -2.762 929 HD22 LEU 115 HD22 LEU 115 7.278 -7.182 -2.334 930 HD23 LEU 115 HD23 LEU 115 6.933 -5.982 -1.095 931 HA PRO 116 HA PRO 116 7.099 -12.276 2.132 932 HB2 PRO 116 HB1 PRO 116 8.740 -11.195 4.027 933 HB3 PRO 116 HB2 PRO 116 9.324 -11.821 2.454 934 HG2 PRO 116 HG1 PRO 116 8.630 -8.946 3.155 935 HG3 PRO 116 HG2 PRO 116 10.149 -9.563 2.407 936 HD2 PRO 116 HD1 PRO 116 8.168 -8.568 0.861 937 HD3 PRO 116 HD2 PRO 116 9.037 -10.049 0.365 938 H VAL 117 H VAL 117 6.270 -12.813 4.171 939 HA VAL 117 HA VAL 117 4.485 -10.867 5.471 940 HB VAL 117 HB VAL 117 4.936 -13.841 5.826 941 HG11 VAL 117 HG11 VAL 117 4.212 -12.868 7.961 942 HG12 VAL 117 HG12 VAL 117 2.874 -12.027 7.135 943 HG13 VAL 117 HG13 VAL 117 2.925 -13.807 7.238 944 HG21 VAL 117 HG21 VAL 117 2.594 -13.944 4.859 945 HG22 VAL 117 HG22 VAL 117 2.702 -12.199 4.544 946 HG23 VAL 117 HG23 VAL 117 3.799 -13.324 3.721 947 H GLU 118 H GLU 118 4.859 -9.935 7.357 948 HA GLU 118 HA GLU 118 6.456 -11.132 9.476 949 HB2 GLU 118 HB1 GLU 118 7.790 -9.076 9.878 950 HB3 GLU 118 HB2 GLU 118 8.254 -9.926 8.391 951 HG2 GLU 118 HG1 GLU 118 7.396 -8.271 7.013 952 HG3 GLU 118 HG2 GLU 118 6.202 -7.732 8.220 953 H ALA 119 H ALA 119 6.382 -8.949 11.294 954 HA ALA 119 HA ALA 119 3.506 -8.221 11.426 955 HB1 ALA 119 HB1 ALA 119 3.781 -10.286 12.739 956 HB2 ALA 119 HB2 ALA 119 5.098 -9.530 13.668 957 HB3 ALA 119 HB3 ALA 119 3.441 -8.897 13.794 958 H ARG 120 H ARG 120 3.258 -6.158 11.816 959 HA ARG 120 HA ARG 120 5.368 -4.467 13.008 960 HB2 ARG 120 HB1 ARG 120 5.286 -5.113 10.324 961 HB3 ARG 120 HB2 ARG 120 4.408 -3.600 10.304 962 HG2 ARG 120 HG1 ARG 120 7.030 -3.705 11.791 963 HG3 ARG 120 HG2 ARG 120 7.077 -3.778 10.005 964 HD2 ARG 120 HD1 ARG 120 7.432 -1.501 10.810 965 HD3 ARG 120 HD2 ARG 120 5.970 -1.661 9.807 966 HE ARG 120 HE ARG 120 5.147 -2.066 12.429 967 HH11 ARG 120 HH12 ARG 120 6.410 0.680 10.759 968 HH12 ARG 120 HH11 ARG 120 5.426 1.799 11.698 969 HH21 ARG 120 HH22 ARG 120 4.005 -0.844 13.461 970 HH22 ARG 120 HH21 ARG 120 4.055 0.922 13.351 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 14.301 -5.176 -2.622 2 H2 GLY 1 2H GLY 1 15.486 -6.319 -2.804 3 H3 GLY 1 3H GLY 1 13.904 -6.772 -2.622 4 HA2 GLY 1 HA3 GLY 1 14.498 -7.028 -4.889 5 HA3 GLY 1 HA2 GLY 1 13.317 -5.714 -4.690 6 H SER 2 H SER 2 14.005 -4.727 -6.644 7 HA SER 2 HA SER 2 16.759 -3.598 -6.781 8 HB2 SER 2 HB1 SER 2 15.536 -4.451 -8.831 9 HB3 SER 2 HB2 SER 2 14.412 -3.094 -8.645 10 HG SER 2 HG SER 2 16.148 -2.568 -10.047 11 H PHE 3 H PHE 3 17.087 -1.940 -5.401 12 HA PHE 3 HA PHE 3 16.800 -0.098 -4.103 13 HB2 PHE 3 HB1 PHE 3 15.191 0.773 -6.504 14 HB3 PHE 3 HB2 PHE 3 15.715 1.851 -5.201 15 HD1 PHE 3 HD1 PHE 3 18.118 2.413 -4.917 16 HD2 PHE 3 HD2 PHE 3 16.753 -0.074 -8.164 17 HE1 PHE 3 HE1 PHE 3 20.298 2.714 -6.067 18 HE2 PHE 3 HE2 PHE 3 18.936 0.230 -9.312 19 HZ PHE 3 HZ PHE 3 20.711 1.623 -8.261 20 H THR 4 H THR 4 15.780 -1.332 -2.556 21 HA THR 4 HA THR 4 14.420 -1.387 -0.729 22 HB THR 4 HB THR 4 12.187 0.071 -2.085 23 HG1 THR 4 HG1 THR 4 13.065 1.874 -1.853 24 HG21 THR 4 HG21 THR 4 11.703 -0.677 0.255 25 HG22 THR 4 HG22 THR 4 11.938 1.062 0.226 26 HG23 THR 4 HG23 THR 4 13.247 0.012 0.789 27 H GLU 5 H GLU 5 11.465 -1.793 -0.979 28 HA GLU 5 HA GLU 5 10.553 -3.690 -2.635 29 HB2 GLU 5 HB1 GLU 5 12.497 -5.078 -1.445 30 HB3 GLU 5 HB2 GLU 5 11.301 -5.256 -0.154 31 HG2 GLU 5 HG1 GLU 5 10.020 -6.704 -1.397 32 HG3 GLU 5 HG2 GLU 5 10.281 -5.813 -2.915 33 H GLY 6 H GLY 6 8.678 -5.050 -1.358 34 HA2 GLY 6 HA3 GLY 6 7.491 -3.219 0.671 35 HA3 GLY 6 HA2 GLY 6 6.539 -4.201 -0.465 36 H TRP 7 H TRP 7 5.761 -4.399 1.957 37 HA TRP 7 HA TRP 7 6.126 -7.160 2.608 38 HB2 TRP 7 HB1 TRP 7 6.879 -7.030 4.835 39 HB3 TRP 7 HB2 TRP 7 8.068 -6.224 3.830 40 HD1 TRP 7 HD TRP 7 6.044 -5.869 6.878 41 HE1 TRP 7 HE1 TRP 7 6.446 -3.605 8.015 42 HE3 TRP 7 3HE TRP 7 8.448 -3.464 3.036 43 HZ2 TRP 7 HZ2 TRP 7 7.644 -1.063 7.323 44 HZ3 TRP 7 HZ3 TRP 7 9.191 -1.128 3.295 45 HH2 TRP 7 HH TRP 7 8.802 0.093 5.430 46 H VAL 8 H VAL 8 4.403 -7.952 3.915 47 HA VAL 8 HA VAL 8 2.105 -6.065 4.289 48 HB VAL 8 HB VAL 8 2.246 -9.074 4.030 49 HG11 VAL 8 HG11 VAL 8 0.875 -8.777 6.044 50 HG12 VAL 8 HG12 VAL 8 -0.089 -7.516 5.241 51 HG13 VAL 8 HG13 VAL 8 -0.161 -9.190 4.676 52 HG21 VAL 8 HG21 VAL 8 1.854 -7.665 2.014 53 HG22 VAL 8 HG22 VAL 8 0.384 -8.563 2.417 54 HG23 VAL 8 HG23 VAL 8 0.506 -6.854 2.831 55 H ARG 9 H ARG 9 1.333 -5.617 6.274 56 HA ARG 9 HA ARG 9 3.203 -6.136 8.487 57 HB2 ARG 9 HB1 ARG 9 2.481 -3.849 8.123 58 HB3 ARG 9 HB2 ARG 9 0.779 -4.312 8.346 59 HG2 ARG 9 HG1 ARG 9 1.163 -4.970 10.614 60 HG3 ARG 9 HG2 ARG 9 2.925 -4.852 10.440 61 HD2 ARG 9 HD1 ARG 9 2.796 -2.430 10.330 62 HD3 ARG 9 HD2 ARG 9 1.017 -2.489 10.316 63 HE ARG 9 HE ARG 9 1.006 -3.097 12.581 64 HH11 ARG 9 HH12 ARG 9 4.422 -2.970 11.476 65 HH12 ARG 9 HH11 ARG 9 4.995 -3.489 13.002 66 HH21 ARG 9 HH22 ARG 9 1.928 -3.713 14.571 67 HH22 ARG 9 HH21 ARG 9 3.670 -3.750 14.718 68 H PHE 10 H PHE 10 2.952 -7.502 10.026 69 HA PHE 10 HA PHE 10 0.855 -9.295 10.561 70 HB2 PHE 10 HB1 PHE 10 2.924 -9.774 11.466 71 HB3 PHE 10 HB2 PHE 10 3.143 -8.151 12.122 72 HD1 PHE 10 HD2 PHE 10 2.065 -7.479 14.253 73 HD2 PHE 10 HD1 PHE 10 1.765 -11.489 12.726 74 HE1 PHE 10 HE2 PHE 10 1.184 -8.245 16.439 75 HE2 PHE 10 HE1 PHE 10 0.898 -12.262 14.913 76 HZ PHE 10 HZ PHE 10 0.579 -10.633 16.771 77 H SER 11 H SER 11 -1.160 -8.861 10.984 78 HA SER 11 HA SER 11 -1.808 -7.829 13.600 79 HB2 SER 11 HB1 SER 11 -1.876 -5.734 12.317 80 HB3 SER 11 HB2 SER 11 -3.050 -6.458 11.204 81 HG SER 11 HG SER 11 -4.490 -5.867 12.586 82 HA PRO 12 HA PRO 12 -4.042 -11.451 11.959 83 HB2 PRO 12 HB1 PRO 12 -4.003 -13.089 14.104 84 HB3 PRO 12 HB2 PRO 12 -2.491 -12.631 13.251 85 HG2 PRO 12 HG1 PRO 12 -3.652 -11.351 15.747 86 HG3 PRO 12 HG2 PRO 12 -1.984 -11.986 15.508 87 HD2 PRO 12 HD1 PRO 12 -2.614 -9.340 15.150 88 HD3 PRO 12 HD2 PRO 12 -1.397 -10.168 14.139 89 H GLY 13 H GLY 13 -5.637 -9.254 12.369 90 HA2 GLY 13 HA3 GLY 13 -7.889 -10.180 14.108 91 HA3 GLY 13 HA2 GLY 13 -7.279 -8.510 14.147 92 HA PRO 14 HA PRO 14 -10.745 -8.364 11.141 93 HB2 PRO 14 HB1 PRO 14 -11.815 -5.985 11.867 94 HB3 PRO 14 HB2 PRO 14 -12.065 -7.464 12.843 95 HG2 PRO 14 HG1 PRO 14 -10.003 -5.282 13.277 96 HG3 PRO 14 HG2 PRO 14 -11.140 -5.978 14.484 97 HD2 PRO 14 HD1 PRO 14 -8.547 -6.835 14.227 98 HD3 PRO 14 HD2 PRO 14 -9.870 -7.953 14.661 99 H ASN 15 H ASN 15 -7.829 -6.611 11.540 100 HA ASN 15 HA ASN 15 -7.940 -5.554 8.850 101 HB2 ASN 15 HB1 ASN 15 -7.392 -3.265 9.518 102 HB3 ASN 15 HB2 ASN 15 -9.003 -3.758 10.066 103 HD21 ASN 15 HD21 ASN 15 -9.444 -2.914 12.047 104 HD22 ASN 15 HD22 ASN 15 -8.257 -2.760 13.346 105 H ALA 16 H ALA 16 -5.958 -4.780 8.094 106 HA ALA 16 HA ALA 16 -3.446 -4.958 9.516 107 HB1 ALA 16 HB1 ALA 16 -4.061 -6.973 7.291 108 HB2 ALA 16 HB2 ALA 16 -2.474 -6.748 8.063 109 HB3 ALA 16 HB3 ALA 16 -3.827 -7.365 9.007 110 H ALA 17 H ALA 17 -1.762 -5.056 7.193 111 HA ALA 17 HA ALA 17 -2.678 -2.885 5.439 112 HB1 ALA 17 HB1 ALA 17 -0.924 -1.330 6.078 113 HB2 ALA 17 HB2 ALA 17 -1.797 -1.769 7.560 114 HB3 ALA 17 HB3 ALA 17 -0.219 -2.494 7.212 115 H ALA 18 H ALA 18 -1.384 -2.575 3.622 116 HA ALA 18 HA ALA 18 1.028 -4.325 3.326 117 HB1 ALA 18 HB1 ALA 18 -0.909 -3.603 1.098 118 HB2 ALA 18 HB2 ALA 18 0.569 -4.559 0.958 119 HB3 ALA 18 HB3 ALA 18 -0.805 -5.192 1.885 120 H TYR 19 H TYR 19 2.785 -3.263 3.101 121 HA TYR 19 HA TYR 19 2.882 -0.474 2.036 122 HB2 TYR 19 HB1 TYR 19 5.109 -2.039 3.347 123 HB3 TYR 19 HB2 TYR 19 5.011 -0.300 3.127 124 HD1 TYR 19 HD2 TYR 19 2.932 0.832 4.515 125 HD2 TYR 19 HD1 TYR 19 4.825 -2.929 5.389 126 HE1 TYR 19 HE2 TYR 19 2.421 1.130 6.953 127 HE2 TYR 19 HE1 TYR 19 4.480 -2.568 7.813 128 HH TYR 19 HH TYR 19 3.930 -1.043 9.383 129 H LEU 20 H LEU 20 4.362 -0.135 0.223 130 HA LEU 20 HA LEU 20 5.973 -2.304 -0.743 131 HB2 LEU 20 HB1 LEU 20 4.840 -2.791 -2.858 132 HB3 LEU 20 HB2 LEU 20 3.912 -3.302 -1.432 133 HG LEU 20 HG LEU 20 2.847 -0.813 -1.939 134 HD11 LEU 20 HD11 LEU 20 3.390 -2.130 -4.631 135 HD12 LEU 20 HD12 LEU 20 4.055 -0.582 -4.076 136 HD13 LEU 20 HD13 LEU 20 2.314 -0.746 -4.338 137 HD21 LEU 20 HD21 LEU 20 1.921 -3.519 -2.967 138 HD22 LEU 20 HD22 LEU 20 0.907 -2.071 -2.780 139 HD23 LEU 20 HD23 LEU 20 1.613 -2.837 -1.353 140 H THR 21 H THR 21 7.508 -1.810 -2.102 141 HA THR 21 HA THR 21 7.864 0.859 -3.192 142 HB THR 21 HB THR 21 9.191 -1.797 -3.874 143 HG1 THR 21 HG1 THR 21 10.241 0.428 -2.500 144 HG21 THR 21 HG21 THR 21 9.817 1.114 -4.569 145 HG22 THR 21 HG22 THR 21 9.501 -0.202 -5.729 146 HG23 THR 21 HG23 THR 21 10.983 -0.217 -4.751 147 H LEU 22 H LEU 22 6.379 1.613 -4.540 148 HA LEU 22 HA LEU 22 5.265 -0.001 -6.729 149 HB2 LEU 22 HB1 LEU 22 4.166 1.948 -5.325 150 HB3 LEU 22 HB2 LEU 22 5.096 3.022 -6.367 151 HG LEU 22 HG LEU 22 2.866 2.913 -7.171 152 HD11 LEU 22 HD11 LEU 22 4.789 2.760 -8.853 153 HD12 LEU 22 HD12 LEU 22 3.165 2.331 -9.441 154 HD13 LEU 22 HD13 LEU 22 4.331 1.053 -9.051 155 HD21 LEU 22 HD21 LEU 22 1.752 0.806 -7.843 156 HD22 LEU 22 HD22 LEU 22 2.140 0.826 -6.111 157 HD23 LEU 22 HD23 LEU 22 3.137 -0.118 -7.228 158 H GLU 23 H GLU 23 6.173 0.015 -8.739 159 HA GLU 23 HA GLU 23 8.049 2.164 -9.412 160 HB2 GLU 23 HB1 GLU 23 9.662 0.837 -10.454 161 HB3 GLU 23 HB2 GLU 23 9.484 0.222 -8.810 162 HG2 GLU 23 HG1 GLU 23 8.375 -1.762 -9.593 163 HG3 GLU 23 HG2 GLU 23 8.157 -1.098 -11.227 164 H ASN 24 H ASN 24 8.083 2.804 -11.429 165 HA ASN 24 HA ASN 24 6.449 1.378 -13.477 166 HB2 ASN 24 HB1 ASN 24 5.356 3.456 -12.708 167 HB3 ASN 24 HB2 ASN 24 6.794 4.387 -13.128 168 HD21 ASN 24 HD21 ASN 24 5.407 5.599 -14.543 169 HD22 ASN 24 HD22 ASN 24 4.998 4.953 -16.131 170 HA PRO 25 HA PRO 25 10.708 1.795 -15.173 171 HB2 PRO 25 HB1 PRO 25 10.828 -0.536 -16.575 172 HB3 PRO 25 HB2 PRO 25 11.045 -0.487 -14.798 173 HG2 PRO 25 HG1 PRO 25 8.506 -1.114 -16.337 174 HG3 PRO 25 HG2 PRO 25 9.247 -2.059 -14.997 175 HD2 PRO 25 HD1 PRO 25 7.225 -0.264 -14.572 176 HD3 PRO 25 HD2 PRO 25 8.552 -0.485 -13.392 177 H GLY 26 H GLY 26 7.557 1.909 -16.485 178 HA2 GLY 26 HA3 GLY 26 8.289 1.950 -19.305 179 HA3 GLY 26 HA2 GLY 26 6.690 2.246 -18.587 180 H ASP 27 H ASP 27 7.415 3.694 -20.636 181 HA ASP 27 HA ASP 27 8.618 6.253 -19.900 182 HB2 ASP 27 HB1 ASP 27 7.706 5.025 -22.530 183 HB3 ASP 27 HB2 ASP 27 8.613 6.545 -22.365 184 H LEU 28 H LEU 28 5.507 5.150 -19.803 185 HA LEU 28 HA LEU 28 4.413 7.902 -19.923 186 HB2 LEU 28 HB1 LEU 28 2.262 7.024 -20.590 187 HB3 LEU 28 HB2 LEU 28 3.542 6.626 -21.769 188 HG LEU 28 HG LEU 28 3.564 4.282 -20.752 189 HD11 LEU 28 HD11 LEU 28 2.403 4.514 -18.648 190 HD12 LEU 28 HD12 LEU 28 1.315 3.629 -19.702 191 HD13 LEU 28 HD13 LEU 28 1.042 5.363 -19.414 192 HD21 LEU 28 HD21 LEU 28 2.521 4.844 -22.916 193 HD22 LEU 28 HD22 LEU 28 1.012 5.287 -22.087 194 HD23 LEU 28 HD23 LEU 28 1.588 3.604 -22.069 195 HA PRO 29 HA PRO 29 3.808 7.391 -15.701 196 HB2 PRO 29 HB1 PRO 29 1.625 8.854 -14.988 197 HB3 PRO 29 HB2 PRO 29 3.070 9.594 -15.730 198 HG2 PRO 29 HG1 PRO 29 0.497 8.777 -17.084 199 HG3 PRO 29 HG2 PRO 29 1.408 10.315 -17.272 200 HD2 PRO 29 HD1 PRO 29 1.607 8.187 -19.022 201 HD3 PRO 29 HD2 PRO 29 2.966 9.291 -18.717 202 H LEU 30 H LEU 30 2.468 6.574 -13.815 203 HA LEU 30 HA LEU 30 0.283 4.676 -14.580 204 HB2 LEU 30 HB1 LEU 30 2.273 4.464 -12.325 205 HB3 LEU 30 HB2 LEU 30 0.833 3.449 -12.501 206 HG LEU 30 HG LEU 30 3.154 3.678 -14.356 207 HD11 LEU 30 HD11 LEU 30 2.142 1.303 -12.763 208 HD12 LEU 30 HD12 LEU 30 3.439 2.372 -12.202 209 HD13 LEU 30 HD13 LEU 30 3.680 1.378 -13.657 210 HD21 LEU 30 HD21 LEU 30 0.775 1.868 -14.772 211 HD22 LEU 30 HD22 LEU 30 2.334 1.781 -15.647 212 HD23 LEU 30 HD23 LEU 30 1.321 3.205 -15.823 213 H ARG 31 H ARG 31 -1.461 4.732 -13.400 214 HA ARG 31 HA ARG 31 -1.719 6.575 -11.038 215 HB2 ARG 31 HB1 ARG 31 -2.875 7.625 -12.905 216 HB3 ARG 31 HB2 ARG 31 -3.803 6.134 -13.190 217 HG2 ARG 31 HG1 ARG 31 -5.351 6.748 -11.711 218 HG3 ARG 31 HG2 ARG 31 -4.153 6.995 -10.431 219 HD2 ARG 31 HD1 ARG 31 -5.455 9.021 -10.809 220 HD3 ARG 31 HD2 ARG 31 -3.751 9.274 -11.187 221 HE ARG 31 HE ARG 31 -5.780 8.675 -13.299 222 HH11 ARG 31 HH12 ARG 31 -3.385 11.057 -12.052 223 HH12 ARG 31 HH11 ARG 31 -3.242 11.815 -13.559 224 HH21 ARG 31 HH22 ARG 31 -5.616 9.827 -15.207 225 HH22 ARG 31 HH21 ARG 31 -4.594 11.239 -15.277 226 H LEU 32 H LEU 32 -2.095 5.408 -9.282 227 HA LEU 32 HA LEU 32 -2.836 2.526 -9.479 228 HB2 LEU 32 HB1 LEU 32 -0.670 3.068 -8.498 229 HB3 LEU 32 HB2 LEU 32 -1.432 4.234 -7.389 230 HG LEU 32 HG LEU 32 -2.670 2.252 -6.348 231 HD11 LEU 32 HD11 LEU 32 -1.659 0.012 -6.690 232 HD12 LEU 32 HD12 LEU 32 -0.609 0.668 -7.956 233 HD13 LEU 32 HD13 LEU 32 -2.362 0.614 -8.193 234 HD21 LEU 32 HD21 LEU 32 -0.662 1.569 -5.039 235 HD22 LEU 32 HD22 LEU 32 -0.748 3.323 -5.276 236 HD23 LEU 32 HD23 LEU 32 0.372 2.362 -6.248 237 H VAL 33 H VAL 33 -4.880 2.030 -8.958 238 HA VAL 33 HA VAL 33 -6.515 4.036 -7.434 239 HB VAL 33 HB VAL 33 -8.415 3.432 -8.846 240 HG11 VAL 33 HG11 VAL 33 -7.709 4.509 -10.908 241 HG12 VAL 33 HG12 VAL 33 -6.902 5.291 -9.539 242 HG13 VAL 33 HG13 VAL 33 -6.006 4.162 -10.571 243 HG21 VAL 33 HG21 VAL 33 -7.757 1.074 -9.431 244 HG22 VAL 33 HG22 VAL 33 -8.219 2.046 -10.834 245 HG23 VAL 33 HG23 VAL 33 -6.510 1.731 -10.512 246 H GLY 34 H GLY 34 -5.286 0.889 -7.155 247 HA2 GLY 34 HA3 GLY 34 -6.666 0.307 -4.795 248 HA3 GLY 34 HA2 GLY 34 -7.450 -0.575 -6.125 249 H ALA 35 H ALA 35 -6.594 -2.295 -4.592 250 HA ALA 35 HA ALA 35 -4.372 -3.542 -5.945 251 HB1 ALA 35 HB1 ALA 35 -4.239 -2.688 -3.039 252 HB2 ALA 35 HB2 ALA 35 -3.549 -4.234 -3.467 253 HB3 ALA 35 HB3 ALA 35 -2.964 -2.753 -4.270 254 H ARG 36 H ARG 36 -4.223 -6.045 -4.939 255 HA ARG 36 HA ARG 36 -6.686 -6.866 -3.601 256 HB2 ARG 36 HB1 ARG 36 -7.780 -6.761 -5.604 257 HB3 ARG 36 HB2 ARG 36 -6.314 -7.016 -6.576 258 HG2 ARG 36 HG1 ARG 36 -7.721 -8.857 -6.932 259 HG3 ARG 36 HG2 ARG 36 -6.340 -9.349 -5.938 260 HD2 ARG 36 HD1 ARG 36 -7.779 -9.358 -3.940 261 HD3 ARG 36 HD2 ARG 36 -9.132 -8.717 -4.906 262 HE ARG 36 HE ARG 36 -9.680 -10.865 -5.262 263 HH11 ARG 36 HH12 ARG 36 -6.087 -10.978 -5.636 264 HH12 ARG 36 HH11 ARG 36 -6.112 -12.684 -5.626 265 HH21 ARG 36 HH22 ARG 36 -9.563 -13.010 -5.444 266 HH22 ARG 36 HH21 ARG 36 -8.043 -13.825 -5.655 267 H THR 37 H THR 37 -6.410 -9.028 -2.788 268 HA THR 37 HA THR 37 -3.671 -10.187 -2.984 269 HB THR 37 HB THR 37 -3.399 -8.487 -1.351 270 HG1 THR 37 HG1 THR 37 -2.472 -10.179 -0.548 271 HG21 THR 37 HG21 THR 37 -4.758 -8.364 0.724 272 HG22 THR 37 HG22 THR 37 -5.938 -9.491 0.018 273 HG23 THR 37 HG23 THR 37 -5.685 -7.885 -0.700 274 HA PRO 38 HA PRO 38 -6.260 -13.806 -1.974 275 HB2 PRO 38 HB1 PRO 38 -4.494 -15.626 -1.006 276 HB3 PRO 38 HB2 PRO 38 -4.527 -15.073 -2.716 277 HG2 PRO 38 HG1 PRO 38 -2.698 -14.107 -0.527 278 HG3 PRO 38 HG2 PRO 38 -2.253 -14.665 -2.182 279 HD2 PRO 38 HD1 PRO 38 -2.619 -12.021 -1.554 280 HD3 PRO 38 HD2 PRO 38 -3.041 -12.676 -3.155 281 H VAL 39 H VAL 39 -4.425 -12.173 0.480 282 HA VAL 39 HA VAL 39 -5.698 -13.758 2.641 283 HB VAL 39 HB VAL 39 -4.114 -12.951 4.165 284 HG11 VAL 39 HG11 VAL 39 -3.378 -14.611 2.386 285 HG12 VAL 39 HG12 VAL 39 -2.539 -13.262 1.596 286 HG13 VAL 39 HG13 VAL 39 -2.087 -13.744 3.242 287 HG21 VAL 39 HG21 VAL 39 -2.383 -11.236 3.573 288 HG22 VAL 39 HG22 VAL 39 -3.301 -10.856 2.114 289 HG23 VAL 39 HG23 VAL 39 -4.010 -10.561 3.710 290 H ALA 40 H ALA 40 -6.926 -11.114 1.163 291 HA ALA 40 HA ALA 40 -8.492 -10.371 3.509 292 HB1 ALA 40 HB1 ALA 40 -7.850 -8.000 3.509 293 HB2 ALA 40 HB2 ALA 40 -6.451 -9.025 3.873 294 HB3 ALA 40 HB3 ALA 40 -6.631 -8.321 2.256 295 H GLU 41 H GLU 41 -10.092 -8.762 3.090 296 HA GLU 41 HA GLU 41 -11.374 -9.264 0.483 297 HB2 GLU 41 HB1 GLU 41 -12.194 -9.944 2.860 298 HB3 GLU 41 HB2 GLU 41 -12.692 -8.268 3.051 299 HG2 GLU 41 HG1 GLU 41 -14.618 -9.391 2.272 300 HG3 GLU 41 HG2 GLU 41 -13.999 -8.599 0.822 301 H ARG 42 H ARG 42 -11.840 -6.524 2.831 302 HA ARG 42 HA ARG 42 -12.193 -4.684 0.580 303 HB2 ARG 42 HB1 ARG 42 -12.910 -4.682 3.362 304 HB3 ARG 42 HB2 ARG 42 -11.890 -3.249 3.023 305 HG2 ARG 42 HG1 ARG 42 -13.427 -2.785 1.044 306 HG3 ARG 42 HG2 ARG 42 -14.542 -3.960 1.772 307 HD2 ARG 42 HD1 ARG 42 -14.432 -2.642 3.919 308 HD3 ARG 42 HD2 ARG 42 -13.396 -1.464 3.089 309 HE ARG 42 HE ARG 42 -16.038 -2.038 1.908 310 HH11 ARG 42 HH12 ARG 42 -14.052 0.339 3.712 311 HH12 ARG 42 HH11 ARG 42 -15.275 1.544 3.624 312 HH21 ARG 42 HH22 ARG 42 -17.532 -0.352 1.769 313 HH22 ARG 42 HH21 ARG 42 -17.189 1.173 2.535 314 H VAL 43 H VAL 43 -10.466 -4.254 -0.466 315 HA VAL 43 HA VAL 43 -7.996 -3.247 0.810 316 HB VAL 43 HB VAL 43 -7.985 -4.480 -1.376 317 HG11 VAL 43 HG11 VAL 43 -8.706 -3.440 -3.429 318 HG12 VAL 43 HG12 VAL 43 -10.067 -3.369 -2.330 319 HG13 VAL 43 HG13 VAL 43 -9.075 -1.921 -2.629 320 HG21 VAL 43 HG21 VAL 43 -6.156 -3.016 -0.559 321 HG22 VAL 43 HG22 VAL 43 -6.260 -3.123 -2.327 322 HG23 VAL 43 HG23 VAL 43 -6.843 -1.666 -1.499 323 H GLU 44 H GLU 44 -7.629 -1.094 1.262 324 HA GLU 44 HA GLU 44 -9.191 1.008 -0.187 325 HB2 GLU 44 HB1 GLU 44 -8.636 0.943 2.808 326 HB3 GLU 44 HB2 GLU 44 -9.355 2.297 1.901 327 HG2 GLU 44 HG1 GLU 44 -11.302 0.874 1.362 328 HG3 GLU 44 HG2 GLU 44 -10.597 -0.457 2.302 329 H LEU 45 H LEU 45 -7.563 2.353 -1.244 330 HA LEU 45 HA LEU 45 -4.898 2.374 -0.100 331 HB2 LEU 45 HB1 LEU 45 -5.514 2.522 -2.586 332 HB3 LEU 45 HB2 LEU 45 -5.912 4.215 -2.295 333 HG LEU 45 HG LEU 45 -3.241 3.068 -1.349 334 HD11 LEU 45 HD11 LEU 45 -2.204 3.567 -3.399 335 HD12 LEU 45 HD12 LEU 45 -3.732 4.187 -4.118 336 HD13 LEU 45 HD13 LEU 45 -3.572 2.473 -3.746 337 HD21 LEU 45 HD21 LEU 45 -2.393 5.311 -1.777 338 HD22 LEU 45 HD22 LEU 45 -3.818 5.458 -0.749 339 HD23 LEU 45 HD23 LEU 45 -3.945 5.800 -2.492 340 H HIS 46 H HIS 46 -4.261 3.500 1.443 341 HA HIS 46 HA HIS 46 -5.534 6.072 2.204 342 HB2 HIS 46 HB1 HIS 46 -4.335 3.815 3.808 343 HB3 HIS 46 HB2 HIS 46 -4.470 5.439 4.489 344 HD2 HIS 46 HD2 HIS 46 -7.392 3.606 2.573 345 HE1 HIS 46 HE1 HIS 46 -8.540 4.079 6.608 346 HE2 HIS 46 HE2 HIS 46 -9.250 3.139 4.352 347 H GLU 47 H GLU 47 -4.230 7.613 3.131 348 HA GLU 47 HA GLU 47 -1.305 7.529 2.544 349 HB2 GLU 47 HB1 GLU 47 -1.396 10.008 2.474 350 HB3 GLU 47 HB2 GLU 47 -2.238 9.219 1.119 351 HG2 GLU 47 HG1 GLU 47 -4.364 9.712 1.983 352 HG3 GLU 47 HG2 GLU 47 -3.739 10.078 3.604 353 H THR 48 H THR 48 -0.073 8.911 4.056 354 HA THR 48 HA THR 48 -1.222 9.096 6.819 355 HB THR 48 HB THR 48 1.654 8.434 6.087 356 HG1 THR 48 HG1 THR 48 1.217 6.450 6.867 357 HG21 THR 48 HG21 THR 48 1.479 9.673 8.203 358 HG22 THR 48 HG22 THR 48 1.870 7.981 8.531 359 HG23 THR 48 HG23 THR 48 0.205 8.572 8.768 360 H PHE 49 H PHE 49 -1.406 11.204 7.239 361 HA PHE 49 HA PHE 49 0.364 13.132 5.795 362 HB2 PHE 49 HB1 PHE 49 -1.574 14.603 5.697 363 HB3 PHE 49 HB2 PHE 49 -1.895 13.049 4.916 364 HD1 PHE 49 HD1 PHE 49 -3.444 11.410 5.978 365 HD2 PHE 49 HD2 PHE 49 -2.781 15.301 7.697 366 HE1 PHE 49 HE1 PHE 49 -5.422 11.110 7.432 367 HE2 PHE 49 HE2 PHE 49 -4.799 15.021 9.107 368 HZ PHE 49 HZ PHE 49 -6.155 12.925 8.916 369 H MET 50 H MET 50 0.878 15.075 6.722 370 HA MET 50 HA MET 50 0.698 15.339 9.695 371 HB2 MET 50 HB1 MET 50 2.518 16.586 7.598 372 HB3 MET 50 HB2 MET 50 2.533 17.024 9.319 373 HG2 MET 50 HG1 MET 50 3.410 14.952 9.967 374 HG3 MET 50 HG2 MET 50 2.926 14.139 8.470 375 HE1 MET 50 HE1 MET 50 5.248 16.908 9.945 376 HE2 MET 50 HE2 MET 50 6.415 17.156 8.624 377 HE3 MET 50 HE3 MET 50 4.727 17.660 8.406 378 H ARG 51 H ARG 51 -0.311 17.129 10.580 379 HA ARG 51 HA ARG 51 -1.186 19.419 8.942 380 HB2 ARG 51 HB1 ARG 51 -2.850 17.567 8.637 381 HB3 ARG 51 HB2 ARG 51 -3.108 17.545 10.394 382 HG2 ARG 51 HG1 ARG 51 -3.805 19.983 10.203 383 HG3 ARG 51 HG2 ARG 51 -3.742 19.803 8.440 384 HD2 ARG 51 HD1 ARG 51 -5.434 18.002 8.561 385 HD3 ARG 51 HD2 ARG 51 -5.422 18.118 10.340 386 HE ARG 51 HE ARG 51 -5.953 20.688 9.280 387 HH11 ARG 51 HH12 ARG 51 -7.616 17.614 9.647 388 HH12 ARG 51 HH11 ARG 51 -9.203 18.324 9.499 389 HH21 ARG 51 HH22 ARG 51 -8.000 21.573 9.128 390 HH22 ARG 51 HH21 ARG 51 -9.411 20.560 9.215 391 H GLU 52 H GLU 52 -1.562 21.282 10.219 392 HA GLU 52 HA GLU 52 -1.202 21.040 13.152 393 HB2 GLU 52 HB1 GLU 52 -0.935 23.231 11.188 394 HB3 GLU 52 HB2 GLU 52 -1.692 23.672 12.752 395 HG2 GLU 52 HG1 GLU 52 0.632 24.045 12.986 396 HG3 GLU 52 HG2 GLU 52 0.228 22.619 13.944 397 H VAL 53 H VAL 53 -2.716 21.305 14.609 398 HA VAL 53 HA VAL 53 -5.437 22.280 13.929 399 HB VAL 53 HB VAL 53 -5.001 19.561 15.265 400 HG11 VAL 53 HG11 VAL 53 -6.964 20.757 16.166 401 HG12 VAL 53 HG12 VAL 53 -7.559 21.055 14.518 402 HG13 VAL 53 HG13 VAL 53 -7.486 19.402 15.164 403 HG21 VAL 53 HG21 VAL 53 -4.657 19.274 12.853 404 HG22 VAL 53 HG22 VAL 53 -6.204 18.579 13.325 405 HG23 VAL 53 HG23 VAL 53 -6.166 20.154 12.509 406 H GLU 54 H GLU 54 -6.084 23.589 15.575 407 HA GLU 54 HA GLU 54 -6.011 24.833 17.475 408 HB2 GLU 54 HB1 GLU 54 -6.377 22.399 18.412 409 HB3 GLU 54 HB2 GLU 54 -4.735 22.599 19.042 410 HG2 GLU 54 HG1 GLU 54 -5.669 24.849 20.028 411 HG3 GLU 54 HG2 GLU 54 -7.264 24.136 19.731 412 H GLY 55 H GLY 55 -3.588 24.581 15.659 413 HA2 GLY 55 HA3 GLY 55 -1.513 25.626 15.512 414 HA3 GLY 55 HA2 GLY 55 -1.588 26.019 17.245 415 H LYS 56 H LYS 56 -2.263 22.843 17.332 416 HA LYS 56 HA LYS 56 0.483 22.055 17.981 417 HB2 LYS 56 HB1 LYS 56 -2.224 20.695 18.315 418 HB3 LYS 56 HB2 LYS 56 -0.693 20.124 18.996 419 HG2 LYS 56 HG1 LYS 56 -0.558 22.019 20.482 420 HG3 LYS 56 HG2 LYS 56 -1.927 22.830 19.678 421 HD2 LYS 56 HD1 LYS 56 -3.396 20.917 20.386 422 HD3 LYS 56 HD2 LYS 56 -2.058 20.313 21.375 423 HE2 LYS 56 HE1 LYS 56 -2.018 22.391 22.671 424 HE3 LYS 56 HE2 LYS 56 -3.180 23.147 21.526 425 HZ1 LYS 56 HZ1 LYS 56 -4.493 22.563 23.247 426 HZ2 LYS 56 HZ2 LYS 56 -3.802 21.050 23.516 427 HZ3 LYS 56 HZ3 LYS 56 -4.774 21.438 22.216 428 H LYS 57 H LYS 57 1.565 20.317 16.988 429 HA LYS 57 HA LYS 57 0.797 19.791 14.202 430 HB2 LYS 57 HB1 LYS 57 3.187 18.754 15.756 431 HB3 LYS 57 HB2 LYS 57 2.933 18.734 13.993 432 HG2 LYS 57 HG1 LYS 57 2.755 21.312 14.204 433 HG3 LYS 57 HG2 LYS 57 3.448 21.108 15.828 434 HD2 LYS 57 HD1 LYS 57 5.137 21.743 14.184 435 HD3 LYS 57 HD2 LYS 57 5.473 20.150 14.889 436 HE2 LYS 57 HE1 LYS 57 5.974 20.240 12.477 437 HE3 LYS 57 HE2 LYS 57 4.709 19.051 12.845 438 HZ1 LYS 57 HZ1 LYS 57 4.052 21.797 11.882 439 HZ2 LYS 57 HZ2 LYS 57 3.063 20.596 12.001 440 HZ3 LYS 57 HZ3 LYS 57 4.242 20.518 10.865 441 H VAL 58 H VAL 58 -0.490 18.153 13.594 442 HA VAL 58 HA VAL 58 -0.749 15.697 15.293 443 HB VAL 58 HB VAL 58 -2.849 17.203 13.700 444 HG11 VAL 58 HG11 VAL 58 -3.404 14.843 13.545 445 HG12 VAL 58 HG12 VAL 58 -3.118 14.619 15.290 446 HG13 VAL 58 HG13 VAL 58 -4.485 15.596 14.711 447 HG21 VAL 58 HG21 VAL 58 -2.511 16.790 16.704 448 HG22 VAL 58 HG22 VAL 58 -2.365 18.328 15.825 449 HG23 VAL 58 HG23 VAL 58 -3.930 17.524 15.934 450 H MET 59 H MET 59 -1.130 13.713 14.159 451 HA MET 59 HA MET 59 -0.821 13.696 11.217 452 HB2 MET 59 HB1 MET 59 0.905 12.186 13.207 453 HB3 MET 59 HB2 MET 59 0.690 11.639 11.524 454 HG2 MET 59 HG1 MET 59 2.060 13.176 10.701 455 HG3 MET 59 HG2 MET 59 1.419 14.479 11.694 456 HE1 MET 59 HE1 MET 59 3.507 14.385 14.925 457 HE2 MET 59 HE2 MET 59 2.255 15.228 13.985 458 HE3 MET 59 HE3 MET 59 1.928 13.623 14.676 459 H GLY 60 H GLY 60 -1.875 12.023 10.193 460 HA2 GLY 60 HA3 GLY 60 -3.062 9.842 11.716 461 HA3 GLY 60 HA2 GLY 60 -4.251 10.994 11.067 462 H MET 61 H MET 61 -4.627 8.578 10.203 463 HA MET 61 HA MET 61 -3.544 8.473 7.426 464 HB2 MET 61 HB1 MET 61 -4.550 6.230 9.211 465 HB3 MET 61 HB2 MET 61 -4.197 6.067 7.464 466 HG2 MET 61 HG1 MET 61 -2.329 5.205 8.513 467 HG3 MET 61 HG2 MET 61 -1.839 6.808 7.982 468 HE1 MET 61 HE1 MET 61 -0.421 4.727 10.115 469 HE2 MET 61 HE2 MET 61 0.281 6.205 9.417 470 HE3 MET 61 HE3 MET 61 0.279 5.969 11.180 471 H ARG 62 H ARG 62 -5.034 8.020 5.754 472 HA ARG 62 HA ARG 62 -7.847 7.682 6.248 473 HB2 ARG 62 HB1 ARG 62 -8.679 9.777 5.267 474 HB3 ARG 62 HB2 ARG 62 -7.823 10.017 6.811 475 HG2 ARG 62 HG1 ARG 62 -6.958 11.762 5.697 476 HG3 ARG 62 HG2 ARG 62 -5.780 10.569 5.160 477 HD2 ARG 62 HD1 ARG 62 -7.096 10.286 3.051 478 HD3 ARG 62 HD2 ARG 62 -8.221 11.526 3.635 479 HE ARG 62 HE ARG 62 -5.307 12.165 3.418 480 HH11 ARG 62 HH12 ARG 62 -8.480 12.797 1.993 481 HH12 ARG 62 HH11 ARG 62 -7.827 14.089 1.014 482 HH21 ARG 62 HH22 ARG 62 -4.564 13.522 2.092 483 HH22 ARG 62 HH21 ARG 62 -5.549 14.497 1.049 484 HA PRO 63 HA PRO 63 -7.449 6.214 2.112 485 HB2 PRO 63 HB1 PRO 63 -10.123 6.142 1.313 486 HB3 PRO 63 HB2 PRO 63 -9.192 4.841 2.088 487 HG2 PRO 63 HG1 PRO 63 -11.255 6.520 3.240 488 HG3 PRO 63 HG2 PRO 63 -10.487 5.054 3.938 489 HD2 PRO 63 HD1 PRO 63 -10.054 7.853 4.597 490 HD3 PRO 63 HD2 PRO 63 -9.313 6.420 5.339 491 H VAL 64 H VAL 64 -7.535 6.772 -0.033 492 HA VAL 64 HA VAL 64 -8.479 9.512 -0.782 493 HB VAL 64 HB VAL 64 -6.391 9.403 -2.396 494 HG11 VAL 64 HG11 VAL 64 -5.098 10.724 -0.799 495 HG12 VAL 64 HG12 VAL 64 -6.813 11.163 -0.786 496 HG13 VAL 64 HG13 VAL 64 -6.150 10.167 0.530 497 HG21 VAL 64 HG21 VAL 64 -5.633 7.143 -1.685 498 HG22 VAL 64 HG22 VAL 64 -4.391 8.400 -1.529 499 HG23 VAL 64 HG23 VAL 64 -5.227 7.806 -0.084 500 HA PRO 65 HA PRO 65 -10.251 7.432 -4.224 501 HB2 PRO 65 HB1 PRO 65 -10.141 9.217 -6.288 502 HB3 PRO 65 HB2 PRO 65 -11.173 9.460 -4.846 503 HG2 PRO 65 HG1 PRO 65 -8.396 10.581 -5.344 504 HG3 PRO 65 HG2 PRO 65 -9.873 11.476 -4.835 505 HD2 PRO 65 HD1 PRO 65 -8.037 10.639 -3.013 506 HD3 PRO 65 HD2 PRO 65 -9.787 10.533 -2.657 507 H PHE 66 H PHE 66 -6.832 8.335 -4.432 508 HA PHE 66 HA PHE 66 -6.058 6.061 -5.800 509 HB2 PHE 66 HB1 PHE 66 -5.327 6.945 -7.974 510 HB3 PHE 66 HB2 PHE 66 -7.071 6.808 -7.838 511 HD1 PHE 66 HD1 PHE 66 -4.212 9.204 -7.905 512 HD2 PHE 66 HD2 PHE 66 -8.492 8.725 -8.109 513 HE1 PHE 66 HE1 PHE 66 -4.429 11.522 -8.731 514 HE2 PHE 66 HE2 PHE 66 -8.709 11.058 -8.925 515 HZ PHE 66 HZ PHE 66 -6.670 12.459 -9.252 516 H LEU 67 H LEU 67 -3.857 6.257 -6.643 517 HA LEU 67 HA LEU 67 -2.198 8.501 -5.662 518 HB2 LEU 67 HB1 LEU 67 -1.957 5.632 -5.093 519 HB3 LEU 67 HB2 LEU 67 -0.550 6.173 -6.026 520 HG LEU 67 HG LEU 67 -1.510 7.277 -3.362 521 HD11 LEU 67 HD11 LEU 67 0.771 6.283 -2.699 522 HD12 LEU 67 HD12 LEU 67 0.903 5.618 -4.320 523 HD13 LEU 67 HD13 LEU 67 -0.397 5.066 -3.236 524 HD21 LEU 67 HD21 LEU 67 0.864 8.099 -5.134 525 HD22 LEU 67 HD22 LEU 67 0.701 8.548 -3.429 526 HD23 LEU 67 HD23 LEU 67 -0.471 9.146 -4.596 527 H GLU 68 H GLU 68 -0.080 8.501 -7.112 528 HA GLU 68 HA GLU 68 -0.198 7.066 -9.587 529 HB2 GLU 68 HB1 GLU 68 -0.432 8.754 -11.176 530 HB3 GLU 68 HB2 GLU 68 -1.821 8.885 -10.092 531 HG2 GLU 68 HG1 GLU 68 -0.591 10.812 -8.953 532 HG3 GLU 68 HG2 GLU 68 0.621 10.688 -10.253 533 H VAL 69 H VAL 69 1.580 7.650 -11.044 534 HA VAL 69 HA VAL 69 3.988 8.564 -9.628 535 HB VAL 69 HB VAL 69 3.698 5.717 -10.760 536 HG11 VAL 69 HG11 VAL 69 6.026 6.515 -10.900 537 HG12 VAL 69 HG12 VAL 69 6.005 6.927 -9.171 538 HG13 VAL 69 HG13 VAL 69 5.871 5.240 -9.698 539 HG21 VAL 69 HG21 VAL 69 2.445 5.717 -8.699 540 HG22 VAL 69 HG22 VAL 69 3.977 4.899 -8.416 541 HG23 VAL 69 HG23 VAL 69 3.760 6.558 -7.839 542 HA PRO 70 HA PRO 70 4.796 9.690 -13.896 543 HB2 PRO 70 HB1 PRO 70 7.421 10.455 -13.783 544 HB3 PRO 70 HB2 PRO 70 6.091 11.408 -13.061 545 HG2 PRO 70 HG1 PRO 70 7.915 9.417 -11.681 546 HG3 PRO 70 HG2 PRO 70 7.509 11.091 -11.156 547 HD2 PRO 70 HD1 PRO 70 6.210 8.914 -10.152 548 HD3 PRO 70 HD2 PRO 70 5.339 10.436 -10.482 549 HA PRO 71 HA PRO 71 7.057 6.301 -15.943 550 HB2 PRO 71 HB1 PRO 71 8.505 7.640 -17.871 551 HB3 PRO 71 HB2 PRO 71 6.795 7.106 -17.971 552 HG2 PRO 71 HG1 PRO 71 7.869 9.843 -17.433 553 HG3 PRO 71 HG2 PRO 71 6.369 9.347 -18.318 554 HD2 PRO 71 HD1 PRO 71 6.406 10.294 -15.717 555 HD3 PRO 71 HD2 PRO 71 5.150 9.226 -16.396 556 H LYS 72 H LYS 72 8.963 5.258 -15.732 557 HA LYS 72 HA LYS 72 10.915 4.653 -14.761 558 HB2 LYS 72 HB1 LYS 72 11.840 7.520 -14.936 559 HB3 LYS 72 HB2 LYS 72 12.828 6.048 -14.948 560 HG2 LYS 72 HG1 LYS 72 10.904 6.954 -17.126 561 HG3 LYS 72 HG2 LYS 72 12.671 7.066 -17.150 562 HD2 LYS 72 HD1 LYS 72 12.886 4.662 -17.320 563 HD3 LYS 72 HD2 LYS 72 11.154 4.426 -16.953 564 HE2 LYS 72 HE1 LYS 72 10.542 5.614 -19.011 565 HE3 LYS 72 HE2 LYS 72 12.241 5.801 -19.446 566 HZ1 LYS 72 HZ1 LYS 72 11.155 3.926 -20.524 567 HZ2 LYS 72 HZ2 LYS 72 10.828 3.217 -19.085 568 HZ3 LYS 72 HZ3 LYS 72 12.390 3.385 -19.571 569 H GLY 73 H GLY 73 8.761 6.339 -13.220 570 HA2 GLY 73 HA3 GLY 73 10.045 7.246 -10.807 571 HA3 GLY 73 HA2 GLY 73 8.299 7.175 -11.140 572 H ARG 74 H ARG 74 10.652 6.084 -9.326 573 HA ARG 74 HA ARG 74 9.148 3.681 -8.378 574 HB2 ARG 74 HB1 ARG 74 11.506 3.279 -9.118 575 HB3 ARG 74 HB2 ARG 74 12.058 4.397 -7.860 576 HG2 ARG 74 HG1 ARG 74 11.124 2.896 -6.129 577 HG3 ARG 74 HG2 ARG 74 10.550 1.787 -7.393 578 HD2 ARG 74 HD1 ARG 74 13.446 2.513 -6.774 579 HD3 ARG 74 HD2 ARG 74 12.655 0.969 -6.434 580 HE ARG 74 HE ARG 74 13.497 2.040 -9.083 581 HH11 ARG 74 HH12 ARG 74 12.479 -0.855 -7.348 582 HH12 ARG 74 HH11 ARG 74 11.799 -1.576 -8.804 583 HH21 ARG 74 HH22 ARG 74 12.918 0.838 -10.966 584 HH22 ARG 74 HH21 ARG 74 12.152 -0.705 -10.764 585 H VAL 75 H VAL 75 8.286 3.798 -6.368 586 HA VAL 75 HA VAL 75 9.137 5.691 -4.324 587 HB VAL 75 HB VAL 75 6.889 6.809 -4.075 588 HG11 VAL 75 HG11 VAL 75 8.249 7.723 -6.622 589 HG12 VAL 75 HG12 VAL 75 7.321 8.675 -5.460 590 HG13 VAL 75 HG13 VAL 75 8.891 8.014 -4.982 591 HG21 VAL 75 HG21 VAL 75 5.489 7.158 -6.092 592 HG22 VAL 75 HG22 VAL 75 6.439 5.941 -6.964 593 HG23 VAL 75 HG23 VAL 75 5.461 5.482 -5.556 594 H GLU 76 H GLU 76 8.715 4.784 -2.344 595 HA GLU 76 HA GLU 76 7.010 2.480 -2.181 596 HB2 GLU 76 HB1 GLU 76 8.400 4.130 -0.073 597 HB3 GLU 76 HB2 GLU 76 7.418 2.678 0.288 598 HG2 GLU 76 HG1 GLU 76 9.715 2.052 0.261 599 HG3 GLU 76 HG2 GLU 76 8.876 1.337 -1.131 600 H LEU 77 H LEU 77 5.017 2.232 -1.745 601 HA LEU 77 HA LEU 77 3.366 4.053 -0.146 602 HB2 LEU 77 HB1 LEU 77 3.108 1.166 -1.024 603 HB3 LEU 77 HB2 LEU 77 2.039 1.909 0.198 604 HG LEU 77 HG LEU 77 1.415 3.630 -1.569 605 HD11 LEU 77 HD11 LEU 77 1.625 2.878 -3.943 606 HD12 LEU 77 HD12 LEU 77 2.737 1.599 -3.415 607 HD13 LEU 77 HD13 LEU 77 3.177 3.313 -3.239 608 HD21 LEU 77 HD21 LEU 77 0.692 0.713 -2.020 609 HD22 LEU 77 HD22 LEU 77 -0.232 2.116 -2.604 610 HD23 LEU 77 HD23 LEU 77 -0.078 1.832 -0.870 611 H LYS 78 H LYS 78 5.233 4.496 1.054 612 HA LYS 78 HA LYS 78 6.195 2.685 3.138 613 HB2 LYS 78 HB1 LYS 78 7.516 4.744 3.769 614 HB3 LYS 78 HB2 LYS 78 7.744 4.217 2.091 615 HG2 LYS 78 HG1 LYS 78 5.759 5.999 1.704 616 HG3 LYS 78 HG2 LYS 78 6.423 6.677 3.190 617 HD2 LYS 78 HD1 LYS 78 8.234 6.044 0.859 618 HD3 LYS 78 HD2 LYS 78 7.236 7.508 0.804 619 HE2 LYS 78 HE1 LYS 78 9.058 6.903 3.158 620 HE3 LYS 78 HE2 LYS 78 9.669 7.673 1.670 621 HZ1 LYS 78 HZ1 LYS 78 8.050 9.423 1.995 622 HZ2 LYS 78 HZ2 LYS 78 8.977 9.306 3.350 623 HZ3 LYS 78 HZ3 LYS 78 7.443 8.718 3.338 624 HA PRO 79 HA PRO 79 3.155 3.732 6.223 625 HB2 PRO 79 HB1 PRO 79 4.734 4.048 8.520 626 HB3 PRO 79 HB2 PRO 79 4.103 2.510 7.873 627 HG2 PRO 79 HG1 PRO 79 6.826 3.737 7.471 628 HG3 PRO 79 HG2 PRO 79 6.408 2.014 7.776 629 HD2 PRO 79 HD1 PRO 79 6.990 2.902 5.278 630 HD3 PRO 79 HD2 PRO 79 5.677 1.715 5.540 631 H GLY 80 H GLY 80 6.063 5.878 6.249 632 HA2 GLY 80 HA3 GLY 80 4.394 8.220 6.949 633 HA3 GLY 80 HA2 GLY 80 6.150 8.204 6.672 634 H GLY 81 H GLY 81 3.111 7.516 4.906 635 HA2 GLY 81 HA3 GLY 81 3.376 9.395 2.833 636 HA3 GLY 81 HA2 GLY 81 4.153 7.893 2.283 637 H TYR 82 H TYR 82 2.822 5.904 2.398 638 HA TYR 82 HA TYR 82 -0.070 6.182 1.795 639 HB2 TYR 82 HB1 TYR 82 1.901 5.486 -0.356 640 HB3 TYR 82 HB2 TYR 82 0.140 5.589 -0.487 641 HD1 TYR 82 HD2 TYR 82 -0.967 7.884 -0.246 642 HD2 TYR 82 HD1 TYR 82 3.287 7.365 -0.718 643 HE1 TYR 82 HE2 TYR 82 -0.741 10.299 -0.841 644 HE2 TYR 82 HE1 TYR 82 3.515 9.758 -1.334 645 HH TYR 82 HH TYR 82 2.428 11.741 -1.692 646 H HIS 83 H HIS 83 -1.122 4.131 1.585 647 HA HIS 83 HA HIS 83 0.358 1.639 1.556 648 HB2 HIS 83 HB1 HIS 83 -0.431 0.851 3.771 649 HB3 HIS 83 HB2 HIS 83 0.833 2.086 3.865 650 HD1 HIS 83 HD1 HIS 83 -0.118 4.631 4.532 651 HD2 HIS 83 HD2 HIS 83 -2.666 1.328 5.210 652 HE1 HIS 83 HE1 HIS 83 -1.893 5.402 6.168 653 H PHE 84 H PHE 84 -1.137 -0.221 1.803 654 HA PHE 84 HA PHE 84 -3.954 0.497 1.108 655 HB2 PHE 84 HB1 PHE 84 -2.381 -2.068 0.746 656 HB3 PHE 84 HB2 PHE 84 -4.148 -1.953 0.606 657 HD1 PHE 84 HD1 PHE 84 -5.064 -0.119 -1.017 658 HD2 PHE 84 HD2 PHE 84 -1.018 -1.598 -1.153 659 HE1 PHE 84 HE1 PHE 84 -4.895 0.547 -3.394 660 HE2 PHE 84 HE2 PHE 84 -0.823 -0.816 -3.512 661 HZ PHE 84 HZ PHE 84 -2.775 0.221 -4.635 662 H MET 85 H MET 85 -5.274 0.474 2.737 663 HA MET 85 HA MET 85 -4.641 -1.011 5.223 664 HB2 MET 85 HB1 MET 85 -5.862 1.360 4.912 665 HB3 MET 85 HB2 MET 85 -7.286 0.320 4.707 666 HG2 MET 85 HG1 MET 85 -7.366 0.486 6.961 667 HG3 MET 85 HG2 MET 85 -6.208 -0.839 6.901 668 HE1 MET 85 HE1 MET 85 -2.959 0.516 8.195 669 HE2 MET 85 HE2 MET 85 -4.040 -0.894 8.073 670 HE3 MET 85 HE3 MET 85 -3.420 -0.092 6.604 671 H LEU 86 H LEU 86 -5.392 -3.035 5.563 672 HA LEU 86 HA LEU 86 -7.310 -4.180 3.558 673 HB2 LEU 86 HB1 LEU 86 -5.025 -5.443 5.104 674 HB3 LEU 86 HB2 LEU 86 -6.372 -6.404 4.433 675 HG LEU 86 HG LEU 86 -4.616 -6.639 2.928 676 HD11 LEU 86 HD11 LEU 86 -6.835 -6.052 1.836 677 HD12 LEU 86 HD12 LEU 86 -5.397 -5.752 0.837 678 HD13 LEU 86 HD13 LEU 86 -6.218 -4.402 1.630 679 HD21 LEU 86 HD21 LEU 86 -3.200 -4.774 3.720 680 HD22 LEU 86 HD22 LEU 86 -4.198 -3.632 2.790 681 HD23 LEU 86 HD23 LEU 86 -3.272 -4.885 1.952 682 H LEU 87 H LEU 87 -9.226 -4.587 4.310 683 HA LEU 87 HA LEU 87 -9.731 -4.953 7.245 684 HB2 LEU 87 HB1 LEU 87 -11.414 -3.654 5.076 685 HB3 LEU 87 HB2 LEU 87 -11.967 -3.966 6.727 686 HG LEU 87 HG LEU 87 -11.569 -1.655 6.480 687 HD11 LEU 87 HD11 LEU 87 -9.965 -1.175 8.230 688 HD12 LEU 87 HD12 LEU 87 -9.156 -2.731 7.971 689 HD13 LEU 87 HD13 LEU 87 -10.813 -2.685 8.626 690 HD21 LEU 87 HD21 LEU 87 -9.618 -0.552 5.730 691 HD22 LEU 87 HD22 LEU 87 -9.962 -1.795 4.514 692 HD23 LEU 87 HD23 LEU 87 -8.663 -2.036 5.710 693 H GLY 88 H GLY 88 -10.821 -6.783 7.783 694 HA2 GLY 88 HA3 GLY 88 -12.100 -8.736 7.570 695 HA3 GLY 88 HA2 GLY 88 -12.512 -8.275 5.902 696 H LEU 89 H LEU 89 -10.360 -10.144 7.941 697 HA LEU 89 HA LEU 89 -8.437 -10.577 5.716 698 HB2 LEU 89 HB1 LEU 89 -8.173 -11.268 8.642 699 HB3 LEU 89 HB2 LEU 89 -6.906 -11.339 7.396 700 HG LEU 89 HG LEU 89 -8.227 -8.866 8.591 701 HD11 LEU 89 HD11 LEU 89 -5.316 -9.720 8.444 702 HD12 LEU 89 HD12 LEU 89 -6.357 -10.009 9.846 703 HD13 LEU 89 HD13 LEU 89 -5.984 -8.351 9.345 704 HD21 LEU 89 HD21 LEU 89 -6.254 -8.964 6.265 705 HD22 LEU 89 HD22 LEU 89 -6.723 -7.500 7.156 706 HD23 LEU 89 HD23 LEU 89 -7.928 -8.359 6.197 707 H LYS 90 H LYS 90 -8.258 -12.366 4.634 708 HA LYS 90 HA LYS 90 -10.064 -14.634 5.078 709 HB2 LYS 90 HB1 LYS 90 -7.888 -14.164 3.001 710 HB3 LYS 90 HB2 LYS 90 -9.133 -15.432 2.946 711 HG2 LYS 90 HG1 LYS 90 -10.888 -13.697 2.746 712 HG3 LYS 90 HG2 LYS 90 -9.637 -12.427 2.809 713 HD2 LYS 90 HD1 LYS 90 -8.611 -13.254 0.783 714 HD3 LYS 90 HD2 LYS 90 -9.745 -14.596 0.675 715 HE2 LYS 90 HE1 LYS 90 -10.512 -11.651 0.569 716 HE3 LYS 90 HE2 LYS 90 -10.217 -12.650 -0.864 717 HZ1 LYS 90 HZ1 LYS 90 -12.393 -12.939 1.127 718 HZ2 LYS 90 HZ2 LYS 90 -12.139 -14.048 -0.091 719 HZ3 LYS 90 HZ3 LYS 90 -12.554 -12.445 -0.327 720 H ARG 91 H ARG 91 -6.786 -13.878 5.919 721 HA ARG 91 HA ARG 91 -6.717 -16.191 7.587 722 HB2 ARG 91 HB1 ARG 91 -4.681 -17.229 6.909 723 HB3 ARG 91 HB2 ARG 91 -5.802 -17.237 5.544 724 HG2 ARG 91 HG1 ARG 91 -4.529 -15.307 4.560 725 HG3 ARG 91 HG2 ARG 91 -3.380 -15.418 5.916 726 HD2 ARG 91 HD1 ARG 91 -3.038 -17.864 5.264 727 HD3 ARG 91 HD2 ARG 91 -3.947 -17.510 3.782 728 HE ARG 91 HE ARG 91 -2.123 -15.713 3.415 729 HH11 ARG 91 HH12 ARG 91 -1.322 -18.788 5.085 730 HH12 ARG 91 HH11 ARG 91 0.378 -18.539 4.718 731 HH21 ARG 91 HH22 ARG 91 0.206 -15.673 2.955 732 HH22 ARG 91 HH21 ARG 91 1.115 -16.985 3.650 733 HA PRO 92 HA PRO 92 -4.497 -13.104 9.929 734 HB2 PRO 92 HB1 PRO 92 -3.368 -14.582 11.932 735 HB3 PRO 92 HB2 PRO 92 -5.126 -14.267 11.837 736 HG2 PRO 92 HG1 PRO 92 -3.619 -16.721 10.891 737 HG3 PRO 92 HG2 PRO 92 -5.117 -16.655 11.888 738 HD2 PRO 92 HD1 PRO 92 -5.181 -17.060 9.182 739 HD3 PRO 92 HD2 PRO 92 -6.435 -16.096 10.014 740 H LEU 93 H LEU 93 -2.461 -12.215 9.990 741 HA LEU 93 HA LEU 93 -0.538 -13.298 8.120 742 HB2 LEU 93 HB1 LEU 93 -0.600 -10.786 9.811 743 HB3 LEU 93 HB2 LEU 93 0.640 -11.152 8.584 744 HG LEU 93 HG LEU 93 -0.739 -9.623 7.577 745 HD11 LEU 93 HD11 LEU 93 -1.893 -12.259 6.573 746 HD12 LEU 93 HD12 LEU 93 -0.315 -11.583 6.103 747 HD13 LEU 93 HD13 LEU 93 -1.808 -10.717 5.709 748 HD21 LEU 93 HD21 LEU 93 -3.268 -11.114 8.350 749 HD22 LEU 93 HD22 LEU 93 -3.125 -9.571 7.500 750 HD23 LEU 93 HD23 LEU 93 -2.610 -9.685 9.189 751 H LYS 94 H LYS 94 0.084 -15.237 9.162 752 HA LYS 94 HA LYS 94 1.444 -15.411 11.635 753 HB2 LYS 94 HB1 LYS 94 0.218 -17.079 10.059 754 HB3 LYS 94 HB2 LYS 94 1.718 -17.227 9.183 755 HG2 LYS 94 HG1 LYS 94 1.377 -17.827 12.136 756 HG3 LYS 94 HG2 LYS 94 1.197 -19.047 10.864 757 HD2 LYS 94 HD1 LYS 94 3.731 -17.446 11.094 758 HD3 LYS 94 HD2 LYS 94 3.407 -18.824 12.190 759 HE2 LYS 94 HE1 LYS 94 4.721 -19.775 10.562 760 HE3 LYS 94 HE2 LYS 94 3.098 -20.223 10.039 761 HZ1 LYS 94 HZ1 LYS 94 3.225 -18.617 8.302 762 HZ2 LYS 94 HZ2 LYS 94 4.633 -19.379 8.266 763 HZ3 LYS 94 HZ3 LYS 94 4.593 -17.899 8.944 764 H ALA 95 H ALA 95 3.620 -14.949 12.160 765 HA ALA 95 HA ALA 95 5.349 -13.544 10.423 766 HB1 ALA 95 HB1 ALA 95 7.089 -14.050 12.102 767 HB2 ALA 95 HB2 ALA 95 5.573 -13.599 12.898 768 HB3 ALA 95 HB3 ALA 95 6.066 -15.312 12.815 769 H GLY 96 H GLY 96 6.930 -14.054 8.965 770 HA2 GLY 96 HA3 GLY 96 8.029 -15.332 7.381 771 HA3 GLY 96 HA2 GLY 96 7.851 -16.747 8.444 772 H GLU 97 H GLU 97 5.469 -14.609 6.794 773 HA GLU 97 HA GLU 97 4.624 -16.874 5.030 774 HB2 GLU 97 HB1 GLU 97 3.045 -14.552 6.191 775 HB3 GLU 97 HB2 GLU 97 2.463 -15.470 4.804 776 HG2 GLU 97 HG1 GLU 97 3.140 -16.652 7.501 777 HG3 GLU 97 HG2 GLU 97 1.517 -16.166 6.991 778 H GLU 98 H GLU 98 3.788 -16.104 3.001 779 HA GLU 98 HA GLU 98 4.986 -13.592 1.965 780 HB2 GLU 98 HB1 GLU 98 5.403 -16.113 0.968 781 HB3 GLU 98 HB2 GLU 98 4.000 -15.622 0.016 782 HG2 GLU 98 HG1 GLU 98 6.678 -14.170 0.235 783 HG3 GLU 98 HG2 GLU 98 6.081 -15.079 -1.169 784 H VAL 99 H VAL 99 3.603 -12.324 0.612 785 HA VAL 99 HA VAL 99 0.787 -13.100 0.266 786 HB VAL 99 HB VAL 99 1.504 -10.386 1.483 787 HG11 VAL 99 HG11 VAL 99 -0.284 -10.029 -0.157 788 HG12 VAL 99 HG12 VAL 99 -1.120 -11.498 0.394 789 HG13 VAL 99 HG13 VAL 99 -1.028 -10.065 1.429 790 HG21 VAL 99 HG21 VAL 99 1.421 -12.092 3.228 791 HG22 VAL 99 HG22 VAL 99 -0.018 -11.082 3.325 792 HG23 VAL 99 HG23 VAL 99 -0.123 -12.701 2.601 793 H GLU 100 H GLU 100 1.104 -13.285 -1.932 794 HA GLU 100 HA GLU 100 2.155 -11.167 -3.573 795 HB2 GLU 100 HB1 GLU 100 0.117 -13.345 -4.093 796 HB3 GLU 100 HB2 GLU 100 0.514 -12.075 -5.297 797 HG2 GLU 100 HG1 GLU 100 2.975 -12.845 -4.921 798 HG3 GLU 100 HG2 GLU 100 2.251 -14.328 -4.290 799 H LEU 101 H LEU 101 1.248 -9.357 -4.380 800 HA LEU 101 HA LEU 101 -1.644 -8.902 -4.009 801 HB2 LEU 101 HB1 LEU 101 -0.552 -7.981 -2.075 802 HB3 LEU 101 HB2 LEU 101 0.533 -7.031 -3.088 803 HG LEU 101 HG LEU 101 -2.444 -6.661 -2.895 804 HD11 LEU 101 HD11 LEU 101 -1.353 -6.202 -0.756 805 HD12 LEU 101 HD12 LEU 101 -2.000 -4.729 -1.499 806 HD13 LEU 101 HD13 LEU 101 -0.256 -5.049 -1.564 807 HD21 LEU 101 HD21 LEU 101 -1.978 -5.488 -4.841 808 HD22 LEU 101 HD22 LEU 101 -0.232 -5.382 -4.504 809 HD23 LEU 101 HD23 LEU 101 -1.324 -4.250 -3.745 810 H ASP 102 H ASP 102 -2.573 -8.153 -5.559 811 HA ASP 102 HA ASP 102 -1.519 -7.678 -8.225 812 HB2 ASP 102 HB1 ASP 102 -4.282 -7.821 -6.961 813 HB3 ASP 102 HB2 ASP 102 -3.975 -7.876 -8.675 814 H LEU 103 H LEU 103 -0.769 -5.425 -8.503 815 HA LEU 103 HA LEU 103 -2.152 -3.250 -7.124 816 HB2 LEU 103 HB1 LEU 103 0.077 -3.259 -9.190 817 HB3 LEU 103 HB2 LEU 103 -0.434 -1.849 -8.254 818 HG LEU 103 HG LEU 103 0.670 -4.380 -6.953 819 HD11 LEU 103 HD11 LEU 103 2.837 -3.098 -6.850 820 HD12 LEU 103 HD12 LEU 103 2.134 -1.926 -7.987 821 HD13 LEU 103 HD13 LEU 103 2.372 -3.606 -8.483 822 HD21 LEU 103 HD21 LEU 103 1.076 -2.907 -5.075 823 HD22 LEU 103 HD22 LEU 103 -0.627 -2.766 -5.522 824 HD23 LEU 103 HD23 LEU 103 0.514 -1.486 -5.986 825 H LEU 104 H LEU 104 -3.807 -2.060 -7.918 826 HA LEU 104 HA LEU 104 -4.701 -2.645 -10.690 827 HB2 LEU 104 HB1 LEU 104 -6.279 -1.239 -8.533 828 HB3 LEU 104 HB2 LEU 104 -6.875 -2.067 -9.978 829 HG LEU 104 HG LEU 104 -5.755 -3.282 -7.499 830 HD11 LEU 104 HD11 LEU 104 -8.546 -3.425 -8.697 831 HD12 LEU 104 HD12 LEU 104 -8.060 -2.462 -7.285 832 HD13 LEU 104 HD13 LEU 104 -8.016 -4.230 -7.205 833 HD21 LEU 104 HD21 LEU 104 -6.735 -4.719 -10.017 834 HD22 LEU 104 HD22 LEU 104 -6.346 -5.521 -8.479 835 HD23 LEU 104 HD23 LEU 104 -5.070 -4.723 -9.398 836 H PHE 105 H PHE 105 -4.460 -1.187 -12.262 837 HA PHE 105 HA PHE 105 -4.046 1.677 -11.496 838 HB2 PHE 105 HB1 PHE 105 -2.904 0.091 -13.797 839 HB3 PHE 105 HB2 PHE 105 -2.592 1.791 -13.490 840 HD1 PHE 105 HD2 PHE 105 -1.177 2.449 -11.509 841 HD2 PHE 105 HD1 PHE 105 -1.730 -1.691 -12.586 842 HE1 PHE 105 HE2 PHE 105 0.818 1.821 -10.174 843 HE2 PHE 105 HE1 PHE 105 0.276 -2.295 -11.305 844 HZ PHE 105 HZ PHE 105 1.574 -0.542 -10.099 845 H ALA 106 H ALA 106 -4.800 3.291 -12.884 846 HA ALA 106 HA ALA 106 -7.341 2.884 -14.151 847 HB1 ALA 106 HB1 ALA 106 -7.073 5.203 -14.915 848 HB2 ALA 106 HB2 ALA 106 -6.513 5.076 -13.234 849 HB3 ALA 106 HB3 ALA 106 -5.335 5.148 -14.569 850 H GLY 107 H GLY 107 -7.911 2.350 -16.211 851 HA2 GLY 107 HA3 GLY 107 -7.649 2.240 -18.562 852 HA3 GLY 107 HA2 GLY 107 -5.882 2.298 -18.365 853 H GLY 108 H GLY 108 -7.262 -0.026 -16.242 854 HA2 GLY 108 HA3 GLY 108 -7.758 -2.299 -16.452 855 HA3 GLY 108 HA2 GLY 108 -7.444 -2.205 -18.200 856 H LYS 109 H LYS 109 -4.874 -0.838 -16.519 857 HA LYS 109 HA LYS 109 -3.095 -3.115 -16.974 858 HB2 LYS 109 HB1 LYS 109 -2.867 -0.335 -16.844 859 HB3 LYS 109 HB2 LYS 109 -2.049 -0.867 -15.370 860 HG2 LYS 109 HG1 LYS 109 -1.324 -1.890 -18.111 861 HG3 LYS 109 HG2 LYS 109 -0.599 -0.456 -17.317 862 HD2 LYS 109 HD1 LYS 109 -0.054 -2.072 -15.364 863 HD3 LYS 109 HD2 LYS 109 -0.395 -3.376 -16.529 864 HE2 LYS 109 HE1 LYS 109 1.960 -3.016 -16.646 865 HE3 LYS 109 HE2 LYS 109 1.285 -2.244 -18.093 866 HZ1 LYS 109 HZ1 LYS 109 1.412 -0.121 -16.852 867 HZ2 LYS 109 HZ2 LYS 109 2.901 -0.799 -17.008 868 HZ3 LYS 109 HZ3 LYS 109 2.106 -0.881 -15.579 869 H VAL 110 H VAL 110 -2.742 -4.732 -15.438 870 HA VAL 110 HA VAL 110 -2.544 -3.875 -12.632 871 HB VAL 110 HB VAL 110 -4.630 -4.951 -12.638 872 HG11 VAL 110 HG11 VAL 110 -4.612 -6.080 -14.779 873 HG12 VAL 110 HG12 VAL 110 -3.405 -7.255 -14.199 874 HG13 VAL 110 HG13 VAL 110 -5.047 -7.231 -13.516 875 HG21 VAL 110 HG21 VAL 110 -3.161 -5.704 -10.745 876 HG22 VAL 110 HG22 VAL 110 -4.379 -6.898 -11.185 877 HG23 VAL 110 HG23 VAL 110 -2.699 -7.126 -11.698 878 H LEU 111 H LEU 111 -0.907 -4.733 -11.448 879 HA LEU 111 HA LEU 111 0.954 -6.713 -12.673 880 HB2 LEU 111 HB1 LEU 111 1.682 -3.908 -11.731 881 HB3 LEU 111 HB2 LEU 111 2.874 -5.190 -11.994 882 HG LEU 111 HG LEU 111 1.084 -3.993 -14.149 883 HD11 LEU 111 HD11 LEU 111 2.643 -2.320 -13.312 884 HD12 LEU 111 HD12 LEU 111 3.201 -2.880 -14.901 885 HD13 LEU 111 HD13 LEU 111 3.997 -3.464 -13.433 886 HD21 LEU 111 HD21 LEU 111 3.494 -5.857 -14.360 887 HD22 LEU 111 HD22 LEU 111 2.635 -5.115 -15.727 888 HD23 LEU 111 HD23 LEU 111 1.809 -6.298 -14.708 889 H LYS 112 H LYS 112 1.437 -8.214 -11.136 890 HA LYS 112 HA LYS 112 0.802 -7.516 -8.352 891 HB2 LYS 112 HB1 LYS 112 0.859 -9.929 -7.946 892 HB3 LYS 112 HB2 LYS 112 -0.324 -9.396 -9.166 893 HG2 LYS 112 HG1 LYS 112 1.768 -10.070 -10.774 894 HG3 LYS 112 HG2 LYS 112 2.069 -11.182 -9.429 895 HD2 LYS 112 HD1 LYS 112 -0.571 -10.870 -10.936 896 HD3 LYS 112 HD2 LYS 112 0.599 -12.158 -11.241 897 HE2 LYS 112 HE1 LYS 112 -0.693 -11.700 -8.523 898 HE3 LYS 112 HE2 LYS 112 -1.434 -12.727 -9.764 899 HZ1 LYS 112 HZ1 LYS 112 0.022 -13.948 -8.128 900 HZ2 LYS 112 HZ2 LYS 112 1.276 -13.130 -8.582 901 HZ3 LYS 112 HZ3 LYS 112 0.570 -14.126 -9.674 902 H VAL 113 H VAL 113 2.089 -7.770 -6.624 903 HA VAL 113 HA VAL 113 5.038 -8.141 -7.015 904 HB VAL 113 HB VAL 113 5.421 -6.358 -5.318 905 HG11 VAL 113 HG11 VAL 113 5.733 -5.924 -7.721 906 HG12 VAL 113 HG12 VAL 113 4.044 -5.390 -7.857 907 HG13 VAL 113 HG13 VAL 113 5.192 -4.472 -6.861 908 HG21 VAL 113 HG21 VAL 113 3.171 -6.221 -4.273 909 HG22 VAL 113 HG22 VAL 113 3.730 -4.650 -4.856 910 HG23 VAL 113 HG23 VAL 113 2.513 -5.550 -5.779 911 H VAL 114 H VAL 114 6.191 -8.958 -5.218 912 HA VAL 114 HA VAL 114 4.612 -10.586 -3.384 913 HB VAL 114 HB VAL 114 6.836 -11.602 -2.829 914 HG11 VAL 114 HG11 VAL 114 6.805 -13.027 -4.866 915 HG12 VAL 114 HG12 VAL 114 5.167 -12.740 -4.269 916 HG13 VAL 114 HG13 VAL 114 5.757 -11.847 -5.681 917 HG21 VAL 114 HG21 VAL 114 8.186 -9.770 -3.772 918 HG22 VAL 114 HG22 VAL 114 8.596 -11.348 -4.483 919 HG23 VAL 114 HG23 VAL 114 7.590 -10.191 -5.389 920 H LEU 115 H LEU 115 4.710 -10.444 -1.134 921 HA LEU 115 HA LEU 115 6.041 -8.087 0.100 922 HB2 LEU 115 HB1 LEU 115 3.052 -8.520 0.160 923 HB3 LEU 115 HB2 LEU 115 3.947 -7.205 0.935 924 HG LEU 115 HG LEU 115 3.621 -7.600 -2.075 925 HD11 LEU 115 HD11 LEU 115 2.321 -5.627 -0.146 926 HD12 LEU 115 HD12 LEU 115 1.518 -7.027 -0.883 927 HD13 LEU 115 HD13 LEU 115 2.088 -5.691 -1.905 928 HD21 LEU 115 HD21 LEU 115 4.652 -5.216 -0.501 929 HD22 LEU 115 HD22 LEU 115 4.572 -5.367 -2.279 930 HD23 LEU 115 HD23 LEU 115 5.724 -6.324 -1.341 931 HA PRO 116 HA PRO 116 5.952 -11.890 2.737 932 HB2 PRO 116 HB1 PRO 116 8.271 -11.385 4.155 933 HB3 PRO 116 HB2 PRO 116 8.217 -12.171 2.548 934 HG2 PRO 116 HG1 PRO 116 8.650 -9.229 3.159 935 HG3 PRO 116 HG2 PRO 116 9.641 -10.284 2.094 936 HD2 PRO 116 HD1 PRO 116 7.759 -8.696 1.024 937 HD3 PRO 116 HD2 PRO 116 7.895 -10.385 0.452 938 H VAL 117 H VAL 117 5.523 -12.232 4.974 939 HA VAL 117 HA VAL 117 4.288 -9.928 6.274 940 HB VAL 117 HB VAL 117 4.355 -12.872 6.924 941 HG11 VAL 117 HG11 VAL 117 2.660 -12.333 8.683 942 HG12 VAL 117 HG12 VAL 117 4.291 -11.796 9.071 943 HG13 VAL 117 HG13 VAL 117 3.081 -10.611 8.517 944 HG21 VAL 117 HG21 VAL 117 1.884 -12.612 6.459 945 HG22 VAL 117 HG22 VAL 117 2.165 -10.912 6.046 946 HG23 VAL 117 HG23 VAL 117 2.885 -12.201 5.057 947 H GLU 118 H GLU 118 4.979 -8.805 7.942 948 HA GLU 118 HA GLU 118 7.060 -9.783 9.766 949 HB2 GLU 118 HB1 GLU 118 7.784 -8.363 7.510 950 HB3 GLU 118 HB2 GLU 118 7.609 -7.061 8.687 951 HG2 GLU 118 HG1 GLU 118 9.385 -9.533 8.932 952 HG3 GLU 118 HG2 GLU 118 9.928 -7.871 8.615 953 H ALA 119 H ALA 119 7.312 -8.386 11.658 954 HA ALA 119 HA ALA 119 4.859 -6.954 12.487 955 HB1 ALA 119 HB1 ALA 119 5.928 -8.628 13.981 956 HB2 ALA 119 HB2 ALA 119 7.433 -7.687 13.949 957 HB3 ALA 119 HB3 ALA 119 5.975 -7.008 14.708 958 H ARG 120 H ARG 120 7.187 -5.968 10.573 959 HA ARG 120 HA ARG 120 8.225 -3.704 11.842 960 HB2 ARG 120 HB1 ARG 120 8.440 -4.969 9.237 961 HB3 ARG 120 HB2 ARG 120 8.507 -3.205 9.072 962 HG2 ARG 120 HG1 ARG 120 10.215 -4.632 11.117 963 HG3 ARG 120 HG2 ARG 120 10.714 -4.525 9.407 964 HD2 ARG 120 HD1 ARG 120 11.736 -2.753 10.818 965 HD3 ARG 120 HD2 ARG 120 10.724 -2.110 9.498 966 HE ARG 120 HE ARG 120 9.061 -1.480 11.069 967 HH11 ARG 120 HH12 ARG 120 11.582 -3.070 12.848 968 HH12 ARG 120 HH11 ARG 120 10.826 -2.693 14.376 969 HH21 ARG 120 HH22 ARG 120 8.105 -1.300 12.808 970 HH22 ARG 120 HH21 ARG 120 8.844 -1.617 14.369 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 12.694 -4.974 4.720 2 H2 GLY 1 2H GLY 1 11.310 -5.764 4.957 3 H3 GLY 1 3H GLY 1 11.914 -4.857 6.201 4 HA2 GLY 1 HA3 GLY 1 10.752 -3.986 3.635 5 HA3 GLY 1 HA2 GLY 1 10.150 -3.622 5.268 6 H SER 2 H SER 2 11.570 -2.202 2.686 7 HA SER 2 HA SER 2 12.035 0.302 3.770 8 HB2 SER 2 HB1 SER 2 14.554 -1.369 3.596 9 HB3 SER 2 HB2 SER 2 14.609 0.388 3.300 10 HG SER 2 HG SER 2 13.564 -0.867 5.612 11 H PHE 3 H PHE 3 13.462 1.633 1.973 12 HA PHE 3 HA PHE 3 12.066 1.539 -0.427 13 HB2 PHE 3 HB1 PHE 3 13.653 3.240 -1.153 14 HB3 PHE 3 HB2 PHE 3 13.128 3.515 0.508 15 HD1 PHE 3 HD1 PHE 3 15.968 2.542 -1.676 16 HD2 PHE 3 HD2 PHE 3 14.718 3.353 2.371 17 HE1 PHE 3 HE1 PHE 3 18.342 2.643 -0.958 18 HE2 PHE 3 HE2 PHE 3 17.089 3.423 3.087 19 HZ PHE 3 HZ PHE 3 18.907 3.075 1.425 20 H THR 4 H THR 4 14.125 -0.833 0.282 21 HA THR 4 HA THR 4 15.303 -1.416 -2.360 22 HB THR 4 HB THR 4 15.004 -3.250 0.049 23 HG1 THR 4 HG1 THR 4 16.977 -2.444 0.725 24 HG21 THR 4 HG21 THR 4 15.833 -4.358 -1.991 25 HG22 THR 4 HG22 THR 4 17.140 -4.209 -0.811 26 HG23 THR 4 HG23 THR 4 17.069 -3.095 -2.196 27 H GLU 5 H GLU 5 12.342 -1.878 -0.618 28 HA GLU 5 HA GLU 5 11.637 -4.481 -1.876 29 HB2 GLU 5 HB1 GLU 5 13.110 -4.911 -0.034 30 HB3 GLU 5 HB2 GLU 5 12.355 -3.632 0.954 31 HG2 GLU 5 HG1 GLU 5 10.275 -5.033 1.029 32 HG3 GLU 5 HG2 GLU 5 11.156 -6.310 0.221 33 H GLY 6 H GLY 6 9.428 -4.976 -1.801 34 HA2 GLY 6 HA3 GLY 6 7.666 -3.145 -0.233 35 HA3 GLY 6 HA2 GLY 6 7.112 -4.141 -1.599 36 H TRP 7 H TRP 7 6.109 -4.066 1.212 37 HA TRP 7 HA TRP 7 6.251 -6.920 1.756 38 HB2 TRP 7 HB1 TRP 7 7.017 -6.754 3.989 39 HB3 TRP 7 HB2 TRP 7 8.228 -6.046 2.945 40 HD1 TRP 7 HD TRP 7 6.196 -5.460 5.972 41 HE1 TRP 7 HE1 TRP 7 6.590 -3.130 6.953 42 HE3 TRP 7 3HE TRP 7 8.631 -3.297 2.017 43 HZ2 TRP 7 HZ2 TRP 7 7.800 -0.642 6.142 44 HZ3 TRP 7 HZ3 TRP 7 9.329 -0.924 2.127 45 HH2 TRP 7 HH TRP 7 8.927 0.412 4.169 46 H VAL 8 H VAL 8 4.655 -7.698 3.176 47 HA VAL 8 HA VAL 8 2.400 -5.763 3.720 48 HB VAL 8 HB VAL 8 2.247 -8.728 3.105 49 HG11 VAL 8 HG11 VAL 8 0.090 -6.681 3.810 50 HG12 VAL 8 HG12 VAL 8 -0.256 -8.246 3.052 51 HG13 VAL 8 HG13 VAL 8 0.479 -8.195 4.658 52 HG21 VAL 8 HG21 VAL 8 0.986 -7.789 1.080 53 HG22 VAL 8 HG22 VAL 8 1.550 -6.185 1.554 54 HG23 VAL 8 HG23 VAL 8 2.714 -7.443 1.094 55 H ARG 9 H ARG 9 1.285 -5.818 5.701 56 HA ARG 9 HA ARG 9 3.348 -6.026 7.681 57 HB2 ARG 9 HB1 ARG 9 1.835 -4.096 7.122 58 HB3 ARG 9 HB2 ARG 9 0.548 -4.886 8.013 59 HG2 ARG 9 HG1 ARG 9 3.234 -4.491 9.314 60 HG3 ARG 9 HG2 ARG 9 2.121 -3.102 9.106 61 HD2 ARG 9 HD1 ARG 9 0.422 -4.223 10.439 62 HD3 ARG 9 HD2 ARG 9 1.514 -5.596 10.680 63 HE ARG 9 HE ARG 9 3.101 -3.577 11.504 64 HH11 ARG 9 HH12 ARG 9 -0.233 -4.123 12.523 65 HH12 ARG 9 HH11 ARG 9 -0.116 -2.902 13.759 66 HH21 ARG 9 HH22 ARG 9 3.286 -2.374 13.130 67 HH22 ARG 9 HH21 ARG 9 1.943 -1.931 14.185 68 H PHE 10 H PHE 10 3.703 -7.772 8.945 69 HA PHE 10 HA PHE 10 1.711 -9.691 9.707 70 HB2 PHE 10 HB1 PHE 10 3.934 -10.424 9.801 71 HB3 PHE 10 HB2 PHE 10 4.433 -9.071 10.827 72 HD1 PHE 10 HD1 PHE 10 1.504 -11.439 11.223 73 HD2 PHE 10 HD2 PHE 10 5.242 -10.028 12.838 74 HE1 PHE 10 HE1 PHE 10 1.099 -12.741 13.272 75 HE2 PHE 10 HE2 PHE 10 4.833 -11.336 14.895 76 HZ PHE 10 HZ PHE 10 2.746 -12.671 15.137 77 H SER 11 H SER 11 -0.032 -9.432 11.036 78 HA SER 11 HA SER 11 0.486 -8.588 13.759 79 HB2 SER 11 HB1 SER 11 -1.344 -7.101 11.852 80 HB3 SER 11 HB2 SER 11 -1.669 -7.149 13.594 81 HG SER 11 HG SER 11 0.932 -6.525 12.738 82 HA PRO 12 HA PRO 12 -2.899 -11.635 14.050 83 HB2 PRO 12 HB1 PRO 12 -3.106 -11.901 16.719 84 HB3 PRO 12 HB2 PRO 12 -1.614 -12.408 15.868 85 HG2 PRO 12 HG1 PRO 12 -2.126 -9.792 17.319 86 HG3 PRO 12 HG2 PRO 12 -0.710 -10.891 17.486 87 HD2 PRO 12 HD1 PRO 12 -0.753 -8.665 15.830 88 HD3 PRO 12 HD2 PRO 12 0.222 -10.125 15.491 89 H GLY 13 H GLY 13 -3.982 -9.604 12.996 90 HA2 GLY 13 HA3 GLY 13 -5.938 -8.356 14.882 91 HA3 GLY 13 HA2 GLY 13 -5.186 -7.478 13.531 92 HA PRO 14 HA PRO 14 -9.103 -9.319 11.734 93 HB2 PRO 14 HB1 PRO 14 -10.929 -7.363 12.099 94 HB3 PRO 14 HB2 PRO 14 -10.614 -8.570 13.384 95 HG2 PRO 14 HG1 PRO 14 -9.468 -5.770 13.145 96 HG3 PRO 14 HG2 PRO 14 -10.238 -6.532 14.584 97 HD2 PRO 14 HD1 PRO 14 -7.502 -6.458 14.170 98 HD3 PRO 14 HD2 PRO 14 -8.315 -7.785 15.046 99 H ASN 15 H ASN 15 -7.217 -6.385 11.805 100 HA ASN 15 HA ASN 15 -7.398 -6.093 8.904 101 HB2 ASN 15 HB1 ASN 15 -7.832 -3.798 8.909 102 HB3 ASN 15 HB2 ASN 15 -9.089 -4.563 9.887 103 HD21 ASN 15 HD21 ASN 15 -7.792 -1.727 9.726 104 HD22 ASN 15 HD22 ASN 15 -7.532 -1.388 11.427 105 H ALA 16 H ALA 16 -5.657 -4.770 8.019 106 HA ALA 16 HA ALA 16 -3.292 -4.223 9.652 107 HB1 ALA 16 HB1 ALA 16 -3.127 -6.686 9.352 108 HB2 ALA 16 HB2 ALA 16 -3.240 -6.471 7.590 109 HB3 ALA 16 HB3 ALA 16 -1.832 -5.860 8.483 110 H ALA 17 H ALA 17 -1.380 -3.929 7.849 111 HA ALA 17 HA ALA 17 -2.450 -2.109 5.759 112 HB1 ALA 17 HB1 ALA 17 -0.369 -0.822 5.997 113 HB2 ALA 17 HB2 ALA 17 -1.206 -0.902 7.556 114 HB3 ALA 17 HB3 ALA 17 0.208 -1.934 7.252 115 H ALA 18 H ALA 18 -1.509 -2.273 3.688 116 HA ALA 18 HA ALA 18 0.763 -4.202 3.375 117 HB1 ALA 18 HB1 ALA 18 -1.036 -5.233 2.196 118 HB2 ALA 18 HB2 ALA 18 -1.515 -3.705 1.423 119 HB3 ALA 18 HB3 ALA 18 0.016 -4.475 0.991 120 H TYR 19 H TYR 19 2.536 -3.362 2.682 121 HA TYR 19 HA TYR 19 2.652 -0.551 1.677 122 HB2 TYR 19 HB1 TYR 19 4.892 -2.122 2.942 123 HB3 TYR 19 HB2 TYR 19 4.749 -0.378 2.801 124 HD1 TYR 19 HD2 TYR 19 2.623 0.631 4.206 125 HD2 TYR 19 HD1 TYR 19 4.628 -3.081 4.977 126 HE1 TYR 19 HE2 TYR 19 2.025 0.805 6.634 127 HE2 TYR 19 HE1 TYR 19 4.201 -2.848 7.408 128 HH TYR 19 HH TYR 19 3.452 -1.419 9.084 129 H LEU 20 H LEU 20 4.486 -0.192 0.114 130 HA LEU 20 HA LEU 20 5.989 -2.388 -0.706 131 HB2 LEU 20 HB1 LEU 20 5.522 -2.683 -3.042 132 HB3 LEU 20 HB2 LEU 20 4.206 -3.238 -2.026 133 HG LEU 20 HG LEU 20 4.162 -0.575 -3.489 134 HD11 LEU 20 HD11 LEU 20 4.468 -2.490 -5.076 135 HD12 LEU 20 HD12 LEU 20 2.882 -1.717 -5.237 136 HD13 LEU 20 HD13 LEU 20 3.040 -3.268 -4.382 137 HD21 LEU 20 HD21 LEU 20 1.699 -0.854 -3.297 138 HD22 LEU 20 HD22 LEU 20 2.436 -0.772 -1.697 139 HD23 LEU 20 HD23 LEU 20 1.934 -2.338 -2.347 140 H THR 21 H THR 21 7.895 -1.932 -1.682 141 HA THR 21 HA THR 21 8.361 0.746 -2.858 142 HB THR 21 HB THR 21 10.199 -1.702 -2.785 143 HG1 THR 21 HG1 THR 21 10.143 -0.920 -0.749 144 HG21 THR 21 HG21 THR 21 10.664 -0.078 -4.648 145 HG22 THR 21 HG22 THR 21 11.867 0.055 -3.359 146 HG23 THR 21 HG23 THR 21 10.594 1.269 -3.472 147 H LEU 22 H LEU 22 8.224 1.070 -5.051 148 HA LEU 22 HA LEU 22 7.684 -1.149 -6.914 149 HB2 LEU 22 HB1 LEU 22 5.595 -0.623 -5.650 150 HB3 LEU 22 HB2 LEU 22 5.693 1.053 -6.188 151 HG LEU 22 HG LEU 22 3.985 -0.486 -7.253 152 HD11 LEU 22 HD11 LEU 22 4.126 0.550 -9.440 153 HD12 LEU 22 HD12 LEU 22 5.812 1.002 -9.158 154 HD13 LEU 22 HD13 LEU 22 4.534 1.711 -8.162 155 HD21 LEU 22 HD21 LEU 22 6.332 -1.547 -8.868 156 HD22 LEU 22 HD22 LEU 22 4.615 -1.935 -9.075 157 HD23 LEU 22 HD23 LEU 22 5.461 -2.449 -7.605 158 H GLU 23 H GLU 23 8.467 -0.635 -8.897 159 HA GLU 23 HA GLU 23 8.745 2.235 -9.638 160 HB2 GLU 23 HB1 GLU 23 10.219 1.308 -11.497 161 HB3 GLU 23 HB2 GLU 23 10.893 1.412 -9.867 162 HG2 GLU 23 HG1 GLU 23 9.644 -1.181 -10.781 163 HG3 GLU 23 HG2 GLU 23 11.270 -0.724 -11.363 164 H ASN 24 H ASN 24 7.888 3.084 -11.330 165 HA ASN 24 HA ASN 24 6.375 1.475 -13.308 166 HB2 ASN 24 HB1 ASN 24 5.619 3.749 -12.592 167 HB3 ASN 24 HB2 ASN 24 7.124 4.419 -13.250 168 HD21 ASN 24 HD21 ASN 24 4.893 5.483 -14.270 169 HD22 ASN 24 HD22 ASN 24 4.731 4.937 -15.942 170 HA PRO 25 HA PRO 25 10.445 1.271 -15.417 171 HB2 PRO 25 HB1 PRO 25 10.027 -0.923 -16.957 172 HB3 PRO 25 HB2 PRO 25 10.228 -1.071 -15.184 173 HG2 PRO 25 HG1 PRO 25 7.620 -0.911 -16.740 174 HG3 PRO 25 HG2 PRO 25 8.097 -2.157 -15.535 175 HD2 PRO 25 HD1 PRO 25 6.587 0.020 -14.860 176 HD3 PRO 25 HD2 PRO 25 7.817 -0.655 -13.751 177 H GLY 26 H GLY 26 7.315 2.046 -16.599 178 HA2 GLY 26 HA3 GLY 26 7.949 1.988 -19.445 179 HA3 GLY 26 HA2 GLY 26 6.427 2.484 -18.672 180 H ASP 27 H ASP 27 7.389 3.829 -20.785 181 HA ASP 27 HA ASP 27 8.733 6.300 -19.975 182 HB2 ASP 27 HB1 ASP 27 7.613 5.318 -22.630 183 HB3 ASP 27 HB2 ASP 27 8.650 6.742 -22.402 184 H LEU 28 H LEU 28 5.572 5.272 -19.861 185 HA LEU 28 HA LEU 28 4.513 8.045 -19.844 186 HB2 LEU 28 HB1 LEU 28 2.361 7.218 -20.542 187 HB3 LEU 28 HB2 LEU 28 3.634 6.786 -21.716 188 HG LEU 28 HG LEU 28 3.585 4.441 -20.643 189 HD11 LEU 28 HD11 LEU 28 1.293 3.857 -19.673 190 HD12 LEU 28 HD12 LEU 28 1.014 5.602 -19.463 191 HD13 LEU 28 HD13 LEU 28 2.327 4.778 -18.595 192 HD21 LEU 28 HD21 LEU 28 1.120 5.489 -22.107 193 HD22 LEU 28 HD22 LEU 28 1.645 3.792 -22.032 194 HD23 LEU 28 HD23 LEU 28 2.649 4.986 -22.863 195 HA PRO 29 HA PRO 29 3.907 7.487 -15.637 196 HB2 PRO 29 HB1 PRO 29 1.766 8.992 -14.919 197 HB3 PRO 29 HB2 PRO 29 3.237 9.699 -15.658 198 HG2 PRO 29 HG1 PRO 29 0.638 8.963 -17.020 199 HG3 PRO 29 HG2 PRO 29 1.585 10.483 -17.185 200 HD2 PRO 29 HD1 PRO 29 1.742 8.373 -18.963 201 HD3 PRO 29 HD2 PRO 29 3.125 9.440 -18.638 202 H LEU 30 H LEU 30 2.704 6.588 -13.832 203 HA LEU 30 HA LEU 30 0.574 4.618 -14.553 204 HB2 LEU 30 HB1 LEU 30 3.082 4.363 -13.194 205 HB3 LEU 30 HB2 LEU 30 1.777 4.046 -12.032 206 HG LEU 30 HG LEU 30 0.879 2.317 -13.435 207 HD11 LEU 30 HD11 LEU 30 3.105 2.856 -15.427 208 HD12 LEU 30 HD12 LEU 30 1.363 3.015 -15.724 209 HD13 LEU 30 HD13 LEU 30 2.056 1.422 -15.410 210 HD21 LEU 30 HD21 LEU 30 3.886 1.993 -13.189 211 HD22 LEU 30 HD22 LEU 30 2.666 0.699 -13.152 212 HD23 LEU 30 HD23 LEU 30 2.754 1.882 -11.830 213 H ARG 31 H ARG 31 -1.281 4.672 -13.386 214 HA ARG 31 HA ARG 31 -1.472 6.447 -10.983 215 HB2 ARG 31 HB1 ARG 31 -2.569 7.560 -12.898 216 HB3 ARG 31 HB2 ARG 31 -3.655 6.174 -13.084 217 HG2 ARG 31 HG1 ARG 31 -4.654 6.561 -10.935 218 HG3 ARG 31 HG2 ARG 31 -3.393 7.718 -10.469 219 HD2 ARG 31 HD1 ARG 31 -4.708 8.603 -12.905 220 HD3 ARG 31 HD2 ARG 31 -5.912 8.261 -11.632 221 HE ARG 31 HE ARG 31 -5.164 10.069 -10.420 222 HH11 ARG 31 HH12 ARG 31 -2.627 9.445 -12.844 223 HH12 ARG 31 HH11 ARG 31 -1.678 10.788 -12.247 224 HH21 ARG 31 HH22 ARG 31 -3.922 11.828 -9.872 225 HH22 ARG 31 HH21 ARG 31 -2.363 12.055 -10.608 226 H LEU 32 H LEU 32 -1.828 5.255 -9.286 227 HA LEU 32 HA LEU 32 -2.777 2.433 -9.498 228 HB2 LEU 32 HB1 LEU 32 -0.562 2.797 -8.607 229 HB3 LEU 32 HB2 LEU 32 -1.159 4.034 -7.483 230 HG LEU 32 HG LEU 32 -2.466 2.186 -6.310 231 HD11 LEU 32 HD11 LEU 32 -2.470 0.502 -8.133 232 HD12 LEU 32 HD12 LEU 32 -1.679 -0.140 -6.692 233 HD13 LEU 32 HD13 LEU 32 -0.700 0.411 -8.066 234 HD21 LEU 32 HD21 LEU 32 0.575 1.935 -6.461 235 HD22 LEU 32 HD22 LEU 32 -0.453 1.351 -5.139 236 HD23 LEU 32 HD23 LEU 32 -0.330 3.089 -5.457 237 H VAL 33 H VAL 33 -4.859 2.095 -8.965 238 HA VAL 33 HA VAL 33 -6.327 4.192 -7.400 239 HB VAL 33 HB VAL 33 -8.354 3.506 -8.572 240 HG11 VAL 33 HG11 VAL 33 -7.812 4.412 -10.780 241 HG12 VAL 33 HG12 VAL 33 -6.938 5.302 -9.527 242 HG13 VAL 33 HG13 VAL 33 -6.084 4.109 -10.524 243 HG21 VAL 33 HG21 VAL 33 -7.778 1.110 -9.054 244 HG22 VAL 33 HG22 VAL 33 -8.377 1.995 -10.461 245 HG23 VAL 33 HG23 VAL 33 -6.647 1.675 -10.308 246 H GLY 34 H GLY 34 -5.229 0.972 -7.135 247 HA2 GLY 34 HA3 GLY 34 -6.137 0.605 -4.519 248 HA3 GLY 34 HA2 GLY 34 -7.286 -0.233 -5.586 249 H ALA 35 H ALA 35 -6.332 -2.100 -4.265 250 HA ALA 35 HA ALA 35 -4.786 -3.528 -6.214 251 HB1 ALA 35 HB1 ALA 35 -3.055 -4.372 -4.797 252 HB2 ALA 35 HB2 ALA 35 -2.961 -2.618 -4.791 253 HB3 ALA 35 HB3 ALA 35 -3.666 -3.451 -3.387 254 H ARG 36 H ARG 36 -4.554 -5.962 -5.340 255 HA ARG 36 HA ARG 36 -6.993 -6.771 -3.842 256 HB2 ARG 36 HB1 ARG 36 -6.392 -7.451 -6.746 257 HB3 ARG 36 HB2 ARG 36 -7.529 -8.396 -5.763 258 HG2 ARG 36 HG1 ARG 36 -7.808 -5.435 -6.383 259 HG3 ARG 36 HG2 ARG 36 -8.642 -6.745 -7.253 260 HD2 ARG 36 HD1 ARG 36 -10.049 -7.219 -5.465 261 HD3 ARG 36 HD2 ARG 36 -8.939 -6.542 -4.251 262 HE ARG 36 HE ARG 36 -9.652 -4.412 -4.675 263 HH11 ARG 36 HH12 ARG 36 -11.297 -6.561 -6.941 264 HH12 ARG 36 HH11 ARG 36 -12.645 -5.485 -7.153 265 HH21 ARG 36 HH22 ARG 36 -11.361 -3.040 -5.006 266 HH22 ARG 36 HH21 ARG 36 -12.671 -3.483 -6.067 267 H THR 37 H THR 37 -6.558 -8.335 -2.509 268 HA THR 37 HA THR 37 -4.184 -10.096 -2.978 269 HB THR 37 HB THR 37 -3.574 -8.346 -1.564 270 HG1 THR 37 HG1 THR 37 -2.688 -10.235 -1.111 271 HG21 THR 37 HG21 THR 37 -5.678 -7.591 -0.550 272 HG22 THR 37 HG22 THR 37 -4.461 -7.970 0.663 273 HG23 THR 37 HG23 THR 37 -5.788 -9.110 0.363 274 HA PRO 38 HA PRO 38 -7.318 -13.146 -1.677 275 HB2 PRO 38 HB1 PRO 38 -5.815 -15.322 -1.128 276 HB3 PRO 38 HB2 PRO 38 -5.961 -14.591 -2.770 277 HG2 PRO 38 HG1 PRO 38 -3.726 -14.122 -0.795 278 HG3 PRO 38 HG2 PRO 38 -3.586 -14.724 -2.490 279 HD2 PRO 38 HD1 PRO 38 -3.378 -12.070 -1.897 280 HD3 PRO 38 HD2 PRO 38 -4.198 -12.622 -3.382 281 H VAL 39 H VAL 39 -5.179 -11.643 0.325 282 HA VAL 39 HA VAL 39 -6.026 -13.005 2.818 283 HB VAL 39 HB VAL 39 -4.249 -12.063 3.974 284 HG11 VAL 39 HG11 VAL 39 -3.078 -12.384 1.184 285 HG12 VAL 39 HG12 VAL 39 -2.278 -12.629 2.751 286 HG13 VAL 39 HG13 VAL 39 -3.544 -13.737 2.232 287 HG21 VAL 39 HG21 VAL 39 -4.302 -9.740 3.587 288 HG22 VAL 39 HG22 VAL 39 -2.755 -10.240 2.877 289 HG23 VAL 39 HG23 VAL 39 -4.150 -9.936 1.843 290 H ALA 40 H ALA 40 -7.585 -10.529 1.235 291 HA ALA 40 HA ALA 40 -8.560 -9.362 3.788 292 HB1 ALA 40 HB1 ALA 40 -8.105 -7.088 3.094 293 HB2 ALA 40 HB2 ALA 40 -6.583 -8.010 3.033 294 HB3 ALA 40 HB3 ALA 40 -7.470 -7.644 1.532 295 H GLU 41 H GLU 41 -10.362 -7.847 3.550 296 HA GLU 41 HA GLU 41 -12.115 -8.439 1.209 297 HB2 GLU 41 HB1 GLU 41 -12.894 -8.995 3.552 298 HB3 GLU 41 HB2 GLU 41 -12.912 -7.275 3.926 299 HG2 GLU 41 HG1 GLU 41 -15.123 -7.668 3.331 300 HG3 GLU 41 HG2 GLU 41 -14.472 -7.089 1.796 301 H ARG 42 H ARG 42 -12.284 -5.682 3.392 302 HA ARG 42 HA ARG 42 -12.823 -4.017 1.040 303 HB2 ARG 42 HB1 ARG 42 -14.365 -4.081 2.944 304 HB3 ARG 42 HB2 ARG 42 -13.100 -3.433 3.995 305 HG2 ARG 42 HG1 ARG 42 -13.029 -1.571 2.009 306 HG3 ARG 42 HG2 ARG 42 -14.715 -2.091 1.834 307 HD2 ARG 42 HD1 ARG 42 -15.147 -1.581 4.201 308 HD3 ARG 42 HD2 ARG 42 -13.396 -1.258 4.441 309 HE ARG 42 HE ARG 42 -13.621 0.830 3.561 310 HH11 ARG 42 HH12 ARG 42 -16.557 -0.855 2.563 311 HH12 ARG 42 HH11 ARG 42 -17.219 0.598 1.848 312 HH21 ARG 42 HH22 ARG 42 -14.334 2.456 2.639 313 HH22 ARG 42 HH21 ARG 42 -15.936 2.579 1.904 314 H VAL 43 H VAL 43 -10.787 -4.089 0.310 315 HA VAL 43 HA VAL 43 -8.510 -2.737 1.415 316 HB VAL 43 HB VAL 43 -8.254 -4.448 -0.244 317 HG11 VAL 43 HG11 VAL 43 -8.859 -4.313 -2.537 318 HG12 VAL 43 HG12 VAL 43 -10.314 -3.933 -1.630 319 HG13 VAL 43 HG13 VAL 43 -9.385 -2.625 -2.396 320 HG21 VAL 43 HG21 VAL 43 -6.504 -2.676 -0.052 321 HG22 VAL 43 HG22 VAL 43 -6.550 -3.462 -1.636 322 HG23 VAL 43 HG23 VAL 43 -7.233 -1.837 -1.435 323 H GLU 44 H GLU 44 -7.967 -0.650 1.494 324 HA GLU 44 HA GLU 44 -9.045 1.354 -0.467 325 HB2 GLU 44 HB1 GLU 44 -8.769 1.685 2.551 326 HB3 GLU 44 HB2 GLU 44 -9.163 2.978 1.393 327 HG2 GLU 44 HG1 GLU 44 -11.277 1.826 0.855 328 HG3 GLU 44 HG2 GLU 44 -10.891 0.559 2.038 329 H LEU 45 H LEU 45 -7.255 2.622 -1.337 330 HA LEU 45 HA LEU 45 -4.692 2.486 0.032 331 HB2 LEU 45 HB1 LEU 45 -5.050 2.428 -2.476 332 HB3 LEU 45 HB2 LEU 45 -5.465 4.142 -2.402 333 HG LEU 45 HG LEU 45 -2.878 3.081 -1.180 334 HD11 LEU 45 HD11 LEU 45 -1.768 3.651 -3.300 335 HD12 LEU 45 HD12 LEU 45 -3.380 3.879 -4.060 336 HD13 LEU 45 HD13 LEU 45 -2.887 2.288 -3.463 337 HD21 LEU 45 HD21 LEU 45 -3.455 5.527 -0.794 338 HD22 LEU 45 HD22 LEU 45 -3.479 5.726 -2.565 339 HD23 LEU 45 HD23 LEU 45 -1.980 5.281 -1.719 340 H HIS 46 H HIS 46 -4.058 3.735 1.503 341 HA HIS 46 HA HIS 46 -5.314 6.358 2.054 342 HB2 HIS 46 HB1 HIS 46 -4.001 4.283 3.834 343 HB3 HIS 46 HB2 HIS 46 -4.333 5.921 4.405 344 HD2 HIS 46 HD2 HIS 46 -7.245 4.411 2.428 345 HE1 HIS 46 HE1 HIS 46 -8.240 4.094 6.525 346 HE2 HIS 46 HE2 HIS 46 -9.103 3.791 4.142 347 H GLU 47 H GLU 47 -4.075 8.017 2.769 348 HA GLU 47 HA GLU 47 -1.112 8.059 2.395 349 HB2 GLU 47 HB1 GLU 47 -1.358 10.473 3.077 350 HB3 GLU 47 HB2 GLU 47 -2.030 10.075 1.486 351 HG2 GLU 47 HG1 GLU 47 -4.181 10.507 2.124 352 HG3 GLU 47 HG2 GLU 47 -3.927 10.046 3.814 353 H THR 48 H THR 48 0.166 8.079 4.246 354 HA THR 48 HA THR 48 -1.154 8.260 6.949 355 HB THR 48 HB THR 48 1.783 7.631 6.591 356 HG1 THR 48 HG1 THR 48 1.349 5.498 6.710 357 HG21 THR 48 HG21 THR 48 -0.248 6.794 8.709 358 HG22 THR 48 HG22 THR 48 0.836 8.186 8.862 359 HG23 THR 48 HG23 THR 48 1.509 6.560 8.774 360 H PHE 49 H PHE 49 -0.300 10.156 8.203 361 HA PHE 49 HA PHE 49 1.762 11.854 6.903 362 HB2 PHE 49 HB1 PHE 49 0.147 13.720 6.681 363 HB3 PHE 49 HB2 PHE 49 -0.234 12.336 5.639 364 HD1 PHE 49 HD1 PHE 49 -1.209 13.932 8.941 365 HD2 PHE 49 HD2 PHE 49 -2.338 11.292 5.732 366 HE1 PHE 49 HE1 PHE 49 -3.485 13.790 9.868 367 HE2 PHE 49 HE2 PHE 49 -4.622 11.219 6.604 368 HZ PHE 49 HZ PHE 49 -5.213 12.441 8.696 369 H MET 50 H MET 50 2.026 13.949 7.936 370 HA MET 50 HA MET 50 0.782 14.322 10.580 371 HB2 MET 50 HB1 MET 50 3.634 15.029 9.816 372 HB3 MET 50 HB2 MET 50 2.730 15.976 11.032 373 HG2 MET 50 HG1 MET 50 2.356 14.003 12.370 374 HG3 MET 50 HG2 MET 50 3.128 12.966 11.171 375 HE1 MET 50 HE1 MET 50 5.633 12.582 10.912 376 HE2 MET 50 HE2 MET 50 5.779 14.245 10.298 377 HE3 MET 50 HE3 MET 50 6.892 13.652 11.548 378 H ARG 51 H ARG 51 -0.538 16.022 10.512 379 HA ARG 51 HA ARG 51 -0.227 18.235 8.610 380 HB2 ARG 51 HB1 ARG 51 -2.625 16.352 8.573 381 HB3 ARG 51 HB2 ARG 51 -2.583 17.951 7.782 382 HG2 ARG 51 HG1 ARG 51 -0.666 17.196 6.402 383 HG3 ARG 51 HG2 ARG 51 -0.812 15.581 7.124 384 HD2 ARG 51 HD1 ARG 51 -3.167 15.495 6.221 385 HD3 ARG 51 HD2 ARG 51 -2.809 16.961 5.308 386 HE ARG 51 HE ARG 51 -2.279 14.345 4.456 387 HH11 ARG 51 HH12 ARG 51 -0.161 17.195 4.699 388 HH12 ARG 51 HH11 ARG 51 0.857 16.592 3.423 389 HH21 ARG 51 HH22 ARG 51 -1.019 13.693 2.987 390 HH22 ARG 51 HH21 ARG 51 0.418 14.563 2.453 391 H GLU 52 H GLU 52 -1.894 19.884 9.018 392 HA GLU 52 HA GLU 52 -2.025 20.329 11.880 393 HB2 GLU 52 HB1 GLU 52 -2.218 22.103 9.465 394 HB3 GLU 52 HB2 GLU 52 -2.403 22.685 11.147 395 HG2 GLU 52 HG1 GLU 52 -0.104 22.992 10.410 396 HG3 GLU 52 HG2 GLU 52 -0.191 21.811 11.729 397 H VAL 53 H VAL 53 -3.666 21.372 12.933 398 HA VAL 53 HA VAL 53 -6.441 21.298 11.875 399 HB VAL 53 HB VAL 53 -5.797 19.956 14.512 400 HG11 VAL 53 HG11 VAL 53 -8.181 19.271 14.439 401 HG12 VAL 53 HG12 VAL 53 -8.047 21.029 14.436 402 HG13 VAL 53 HG13 VAL 53 -8.403 20.172 12.925 403 HG21 VAL 53 HG21 VAL 53 -6.617 18.651 11.881 404 HG22 VAL 53 HG22 VAL 53 -5.054 18.462 12.709 405 HG23 VAL 53 HG23 VAL 53 -6.522 17.840 13.457 406 H GLU 54 H GLU 54 -5.852 21.613 15.204 407 HA GLU 54 HA GLU 54 -6.562 24.430 15.366 408 HB2 GLU 54 HB1 GLU 54 -7.299 22.664 16.891 409 HB3 GLU 54 HB2 GLU 54 -5.671 22.386 17.445 410 HG2 GLU 54 HG1 GLU 54 -6.834 25.161 17.719 411 HG3 GLU 54 HG2 GLU 54 -7.506 23.870 18.754 412 H GLY 55 H GLY 55 -4.405 24.331 13.705 413 HA2 GLY 55 HA3 GLY 55 -2.299 25.153 13.285 414 HA3 GLY 55 HA2 GLY 55 -2.246 25.785 14.946 415 H LYS 56 H LYS 56 -2.782 22.770 15.790 416 HA LYS 56 HA LYS 56 0.001 22.131 16.186 417 HB2 LYS 56 HB1 LYS 56 -2.422 20.436 16.824 418 HB3 LYS 56 HB2 LYS 56 -0.830 20.401 17.590 419 HG2 LYS 56 HG1 LYS 56 -2.948 22.553 17.839 420 HG3 LYS 56 HG2 LYS 56 -2.477 21.370 19.083 421 HD2 LYS 56 HD1 LYS 56 -0.288 22.444 19.304 422 HD3 LYS 56 HD2 LYS 56 -0.672 23.601 18.019 423 HE2 LYS 56 HE1 LYS 56 -2.437 23.291 20.469 424 HE3 LYS 56 HE2 LYS 56 -1.027 24.347 20.517 425 HZ1 LYS 56 HZ1 LYS 56 -3.380 25.229 19.812 426 HZ2 LYS 56 HZ2 LYS 56 -3.096 24.602 18.421 427 HZ3 LYS 56 HZ3 LYS 56 -2.073 25.792 18.954 428 H LYS 57 H LYS 57 1.237 20.738 15.109 429 HA LYS 57 HA LYS 57 0.270 19.397 12.690 430 HB2 LYS 57 HB1 LYS 57 2.617 18.893 12.346 431 HB3 LYS 57 HB2 LYS 57 2.264 20.626 12.565 432 HG2 LYS 57 HG1 LYS 57 3.539 20.802 14.415 433 HG3 LYS 57 HG2 LYS 57 3.208 19.180 15.011 434 HD2 LYS 57 HD1 LYS 57 5.072 19.934 12.731 435 HD3 LYS 57 HD2 LYS 57 5.561 19.410 14.351 436 HE2 LYS 57 HE1 LYS 57 4.090 17.747 12.258 437 HE3 LYS 57 HE2 LYS 57 5.800 17.595 12.693 438 HZ1 LYS 57 HZ1 LYS 57 3.471 17.050 14.452 439 HZ2 LYS 57 HZ2 LYS 57 5.047 16.918 14.924 440 HZ3 LYS 57 HZ3 LYS 57 4.437 15.921 13.766 441 H VAL 58 H VAL 58 -1.040 17.665 13.205 442 HA VAL 58 HA VAL 58 -0.065 15.663 15.220 443 HB VAL 58 HB VAL 58 -2.150 16.831 15.763 444 HG11 VAL 58 HG11 VAL 58 -3.396 15.441 13.351 445 HG12 VAL 58 HG12 VAL 58 -4.250 16.374 14.593 446 HG13 VAL 58 HG13 VAL 58 -3.106 17.188 13.521 447 HG21 VAL 58 HG21 VAL 58 -2.660 13.880 15.256 448 HG22 VAL 58 HG22 VAL 58 -1.686 14.532 16.595 449 HG23 VAL 58 HG23 VAL 58 -3.412 14.914 16.481 450 H MET 59 H MET 59 -0.206 13.374 14.744 451 HA MET 59 HA MET 59 -0.131 12.790 11.855 452 HB2 MET 59 HB1 MET 59 0.964 10.766 12.320 453 HB3 MET 59 HB2 MET 59 1.803 12.043 13.202 454 HG2 MET 59 HG1 MET 59 -0.205 10.149 14.454 455 HG3 MET 59 HG2 MET 59 1.558 9.884 14.406 456 HE1 MET 59 HE1 MET 59 -0.995 10.462 16.789 457 HE2 MET 59 HE2 MET 59 -0.803 12.060 17.535 458 HE3 MET 59 HE3 MET 59 -1.427 11.918 15.877 459 H GLY 60 H GLY 60 -1.043 10.955 10.938 460 HA2 GLY 60 HA3 GLY 60 -3.018 9.276 12.022 461 HA3 GLY 60 HA2 GLY 60 -3.841 10.706 11.358 462 H MET 61 H MET 61 -4.778 8.961 9.902 463 HA MET 61 HA MET 61 -3.390 9.144 7.369 464 HB2 MET 61 HB1 MET 61 -3.170 6.911 6.826 465 HB3 MET 61 HB2 MET 61 -2.389 7.107 8.386 466 HG2 MET 61 HG1 MET 61 -5.197 6.085 8.108 467 HG3 MET 61 HG2 MET 61 -3.760 5.063 7.902 468 HE1 MET 61 HE1 MET 61 -2.392 4.406 11.302 469 HE2 MET 61 HE2 MET 61 -2.665 3.809 9.647 470 HE3 MET 61 HE3 MET 61 -1.765 5.325 9.916 471 H ARG 62 H ARG 62 -4.724 8.446 5.525 472 HA ARG 62 HA ARG 62 -7.676 8.539 5.934 473 HB2 ARG 62 HB1 ARG 62 -5.933 10.701 4.727 474 HB3 ARG 62 HB2 ARG 62 -7.615 10.490 4.184 475 HG2 ARG 62 HG1 ARG 62 -8.471 11.077 6.338 476 HG3 ARG 62 HG2 ARG 62 -6.854 11.111 7.060 477 HD2 ARG 62 HD1 ARG 62 -6.185 13.004 5.753 478 HD3 ARG 62 HD2 ARG 62 -7.569 12.816 4.654 479 HE ARG 62 HE ARG 62 -8.117 13.353 7.506 480 HH11 ARG 62 HH12 ARG 62 -7.888 14.781 4.300 481 HH12 ARG 62 HH11 ARG 62 -9.039 16.040 4.641 482 HH21 ARG 62 HH22 ARG 62 -9.538 15.050 7.954 483 HH22 ARG 62 HH21 ARG 62 -9.919 16.227 6.735 484 HA PRO 63 HA PRO 63 -7.272 6.463 1.891 485 HB2 PRO 63 HB1 PRO 63 -9.875 6.491 1.057 486 HB3 PRO 63 HB2 PRO 63 -9.214 5.286 2.180 487 HG2 PRO 63 HG1 PRO 63 -10.766 7.765 2.804 488 HG3 PRO 63 HG2 PRO 63 -10.900 6.157 3.575 489 HD2 PRO 63 HD1 PRO 63 -9.552 8.291 4.691 490 HD3 PRO 63 HD2 PRO 63 -9.048 6.600 4.960 491 H VAL 64 H VAL 64 -7.142 7.016 -0.187 492 HA VAL 64 HA VAL 64 -7.882 9.791 -1.047 493 HB VAL 64 HB VAL 64 -5.827 9.536 -2.624 494 HG11 VAL 64 HG11 VAL 64 -4.343 10.582 -0.967 495 HG12 VAL 64 HG12 VAL 64 -5.989 11.234 -0.905 496 HG13 VAL 64 HG13 VAL 64 -5.452 10.077 0.333 497 HG21 VAL 64 HG21 VAL 64 -5.297 7.168 -2.068 498 HG22 VAL 64 HG22 VAL 64 -3.931 8.275 -1.836 499 HG23 VAL 64 HG23 VAL 64 -4.825 7.683 -0.427 500 HA PRO 65 HA PRO 65 -9.798 7.766 -4.485 501 HB2 PRO 65 HB1 PRO 65 -9.539 9.538 -6.549 502 HB3 PRO 65 HB2 PRO 65 -10.586 9.842 -5.130 503 HG2 PRO 65 HG1 PRO 65 -7.741 10.803 -5.564 504 HG3 PRO 65 HG2 PRO 65 -9.175 11.782 -5.088 505 HD2 PRO 65 HD1 PRO 65 -7.435 10.848 -3.225 506 HD3 PRO 65 HD2 PRO 65 -9.195 10.830 -2.911 507 H PHE 66 H PHE 66 -6.346 8.383 -4.561 508 HA PHE 66 HA PHE 66 -5.676 6.097 -5.987 509 HB2 PHE 66 HB1 PHE 66 -4.738 7.121 -8.073 510 HB3 PHE 66 HB2 PHE 66 -6.495 7.038 -8.046 511 HD1 PHE 66 HD1 PHE 66 -3.622 9.395 -7.409 512 HD2 PHE 66 HD2 PHE 66 -7.779 8.981 -8.477 513 HE1 PHE 66 HE1 PHE 66 -3.763 11.828 -7.758 514 HE2 PHE 66 HE2 PHE 66 -7.896 11.420 -8.927 515 HZ PHE 66 HZ PHE 66 -5.902 12.859 -8.541 516 H LEU 67 H LEU 67 -3.399 6.084 -6.547 517 HA LEU 67 HA LEU 67 -1.749 8.352 -5.610 518 HB2 LEU 67 HB1 LEU 67 -1.476 5.528 -4.940 519 HB3 LEU 67 HB2 LEU 67 -0.078 6.029 -5.906 520 HG LEU 67 HG LEU 67 -1.065 7.321 -3.333 521 HD11 LEU 67 HD11 LEU 67 1.358 5.568 -4.062 522 HD12 LEU 67 HD12 LEU 67 0.015 5.128 -2.986 523 HD13 LEU 67 HD13 LEU 67 1.170 6.383 -2.511 524 HD21 LEU 67 HD21 LEU 67 1.400 7.966 -5.052 525 HD22 LEU 67 HD22 LEU 67 1.119 8.588 -3.415 526 HD23 LEU 67 HD23 LEU 67 0.040 9.063 -4.720 527 H GLU 68 H GLU 68 0.416 8.275 -7.021 528 HA GLU 68 HA GLU 68 0.072 7.031 -9.603 529 HB2 GLU 68 HB1 GLU 68 0.064 8.865 -10.993 530 HB3 GLU 68 HB2 GLU 68 -1.161 9.254 -9.776 531 HG2 GLU 68 HG1 GLU 68 0.534 10.735 -8.644 532 HG3 GLU 68 HG2 GLU 68 1.665 10.391 -9.975 533 H VAL 69 H VAL 69 1.965 7.289 -10.961 534 HA VAL 69 HA VAL 69 4.485 7.641 -9.418 535 HB VAL 69 HB VAL 69 3.887 5.131 -11.045 536 HG11 VAL 69 HG11 VAL 69 5.901 4.251 -9.904 537 HG12 VAL 69 HG12 VAL 69 6.269 5.696 -10.851 538 HG13 VAL 69 HG13 VAL 69 6.116 5.816 -9.090 539 HG21 VAL 69 HG21 VAL 69 3.687 5.440 -8.029 540 HG22 VAL 69 HG22 VAL 69 2.398 4.960 -9.152 541 HG23 VAL 69 HG23 VAL 69 3.770 3.887 -8.888 542 HA PRO 70 HA PRO 70 5.222 9.380 -13.505 543 HB2 PRO 70 HB1 PRO 70 7.785 10.270 -13.244 544 HB3 PRO 70 HB2 PRO 70 6.391 11.070 -12.461 545 HG2 PRO 70 HG1 PRO 70 8.312 9.054 -11.252 546 HG3 PRO 70 HG2 PRO 70 7.780 10.622 -10.553 547 HD2 PRO 70 HD1 PRO 70 6.628 8.229 -9.859 548 HD3 PRO 70 HD2 PRO 70 5.675 9.736 -9.961 549 HA PRO 71 HA PRO 71 7.240 6.107 -15.750 550 HB2 PRO 71 HB1 PRO 71 8.562 7.435 -17.779 551 HB3 PRO 71 HB2 PRO 71 6.804 7.107 -17.726 552 HG2 PRO 71 HG1 PRO 71 8.252 9.646 -17.011 553 HG3 PRO 71 HG2 PRO 71 6.716 9.448 -17.931 554 HD2 PRO 71 HD1 PRO 71 6.786 10.115 -15.274 555 HD3 PRO 71 HD2 PRO 71 5.488 9.112 -15.950 556 H LYS 72 H LYS 72 9.084 4.946 -15.617 557 HA LYS 72 HA LYS 72 11.130 4.242 -14.981 558 HB2 LYS 72 HB1 LYS 72 12.157 7.068 -15.256 559 HB3 LYS 72 HB2 LYS 72 13.075 5.557 -15.396 560 HG2 LYS 72 HG1 LYS 72 10.939 6.554 -17.320 561 HG3 LYS 72 HG2 LYS 72 12.697 6.615 -17.552 562 HD2 LYS 72 HD1 LYS 72 12.806 4.178 -17.693 563 HD3 LYS 72 HD2 LYS 72 11.086 4.042 -17.228 564 HE2 LYS 72 HE1 LYS 72 10.427 5.283 -19.235 565 HE3 LYS 72 HE2 LYS 72 12.104 5.401 -19.765 566 HZ1 LYS 72 HZ1 LYS 72 12.139 3.016 -20.000 567 HZ2 LYS 72 HZ2 LYS 72 10.841 3.614 -20.808 568 HZ3 LYS 72 HZ3 LYS 72 10.622 2.864 -19.359 569 H GLY 73 H GLY 73 9.356 6.129 -13.110 570 HA2 GLY 73 HA3 GLY 73 11.178 6.701 -10.913 571 HA3 GLY 73 HA2 GLY 73 9.433 7.037 -10.979 572 H ARG 74 H ARG 74 11.798 5.264 -9.676 573 HA ARG 74 HA ARG 74 10.054 3.230 -8.438 574 HB2 ARG 74 HB1 ARG 74 12.361 2.541 -8.578 575 HB3 ARG 74 HB2 ARG 74 12.912 4.028 -7.774 576 HG2 ARG 74 HG1 ARG 74 11.924 3.373 -5.693 577 HG3 ARG 74 HG2 ARG 74 11.064 2.012 -6.417 578 HD2 ARG 74 HD1 ARG 74 14.084 2.073 -6.533 579 HD3 ARG 74 HD2 ARG 74 13.262 1.676 -4.999 580 HE ARG 74 HE ARG 74 12.602 0.183 -7.519 581 HH11 ARG 74 HH12 ARG 74 14.076 -0.109 -4.290 582 HH12 ARG 74 HH11 ARG 74 13.784 -1.838 -4.298 583 HH21 ARG 74 HH22 ARG 74 12.038 -1.819 -7.302 584 HH22 ARG 74 HH21 ARG 74 12.581 -2.800 -5.945 585 H VAL 75 H VAL 75 8.867 3.516 -6.722 586 HA VAL 75 HA VAL 75 9.250 5.834 -4.877 587 HB VAL 75 HB VAL 75 6.818 6.161 -4.761 588 HG11 VAL 75 HG11 VAL 75 8.147 7.612 -6.235 589 HG12 VAL 75 HG12 VAL 75 7.856 6.515 -7.602 590 HG13 VAL 75 HG13 VAL 75 6.501 7.379 -6.849 591 HG21 VAL 75 HG21 VAL 75 6.056 3.910 -5.524 592 HG22 VAL 75 HG22 VAL 75 5.280 5.228 -6.402 593 HG23 VAL 75 HG23 VAL 75 6.586 4.305 -7.173 594 H GLU 76 H GLU 76 7.680 5.434 -2.855 595 HA GLU 76 HA GLU 76 7.426 2.565 -2.249 596 HB2 GLU 76 HB1 GLU 76 9.620 3.566 -1.418 597 HB3 GLU 76 HB2 GLU 76 8.650 4.576 -0.334 598 HG2 GLU 76 HG1 GLU 76 7.610 2.379 0.516 599 HG3 GLU 76 HG2 GLU 76 8.867 1.554 -0.417 600 H LEU 77 H LEU 77 5.361 2.282 -1.870 601 HA LEU 77 HA LEU 77 3.654 4.117 -0.329 602 HB2 LEU 77 HB1 LEU 77 3.356 1.278 -1.372 603 HB3 LEU 77 HB2 LEU 77 2.234 2.001 -0.179 604 HG LEU 77 HG LEU 77 1.935 3.873 -1.958 605 HD11 LEU 77 HD11 LEU 77 2.100 3.064 -4.303 606 HD12 LEU 77 HD12 LEU 77 2.921 1.595 -3.739 607 HD13 LEU 77 HD13 LEU 77 3.690 3.184 -3.554 608 HD21 LEU 77 HD21 LEU 77 0.778 1.072 -2.250 609 HD22 LEU 77 HD22 LEU 77 0.121 2.520 -3.024 610 HD23 LEU 77 HD23 LEU 77 0.144 2.403 -1.258 611 H LYS 78 H LYS 78 5.051 4.502 1.288 612 HA LYS 78 HA LYS 78 6.018 2.309 2.979 613 HB2 LYS 78 HB1 LYS 78 7.530 3.954 3.862 614 HB3 LYS 78 HB2 LYS 78 7.484 4.034 2.073 615 HG2 LYS 78 HG1 LYS 78 5.957 6.036 2.335 616 HG3 LYS 78 HG2 LYS 78 6.450 6.060 4.038 617 HD2 LYS 78 HD1 LYS 78 8.291 6.221 1.611 618 HD3 LYS 78 HD2 LYS 78 7.834 7.566 2.699 619 HE2 LYS 78 HE1 LYS 78 9.972 7.027 3.409 620 HE3 LYS 78 HE2 LYS 78 8.948 6.172 4.567 621 HZ1 LYS 78 HZ1 LYS 78 9.406 4.105 3.209 622 HZ2 LYS 78 HZ2 LYS 78 10.797 4.780 3.757 623 HZ3 LYS 78 HZ3 LYS 78 10.314 4.910 2.211 624 HA PRO 79 HA PRO 79 3.211 2.694 6.367 625 HB2 PRO 79 HB1 PRO 79 5.005 2.915 8.551 626 HB3 PRO 79 HB2 PRO 79 4.350 1.415 7.848 627 HG2 PRO 79 HG1 PRO 79 6.981 2.756 7.290 628 HG3 PRO 79 HG2 PRO 79 6.624 0.999 7.434 629 HD2 PRO 79 HD1 PRO 79 6.939 2.157 5.009 630 HD3 PRO 79 HD2 PRO 79 5.642 0.952 5.264 631 H GLY 80 H GLY 80 5.943 5.049 6.567 632 HA2 GLY 80 HA3 GLY 80 4.122 7.053 7.744 633 HA3 GLY 80 HA2 GLY 80 5.883 7.193 7.542 634 H GLY 81 H GLY 81 3.462 6.355 5.009 635 HA2 GLY 81 HA3 GLY 81 3.446 9.047 3.907 636 HA3 GLY 81 HA2 GLY 81 4.389 7.891 2.940 637 H TYR 82 H TYR 82 2.989 5.679 2.713 638 HA TYR 82 HA TYR 82 0.157 6.149 2.040 639 HB2 TYR 82 HB1 TYR 82 2.083 5.500 -0.174 640 HB3 TYR 82 HB2 TYR 82 0.327 5.687 -0.286 641 HD1 TYR 82 HD2 TYR 82 -0.699 7.982 -0.101 642 HD2 TYR 82 HD1 TYR 82 3.567 7.358 -0.234 643 HE1 TYR 82 HE2 TYR 82 -0.360 10.398 -0.622 644 HE2 TYR 82 HE1 TYR 82 3.915 9.759 -0.704 645 HH TYR 82 HH TYR 82 2.918 11.787 -1.023 646 H HIS 83 H HIS 83 -1.023 4.172 1.793 647 HA HIS 83 HA HIS 83 0.318 1.615 1.505 648 HB2 HIS 83 HB1 HIS 83 -0.171 0.755 3.733 649 HB3 HIS 83 HB2 HIS 83 0.937 2.124 3.858 650 HD1 HIS 83 HD1 HIS 83 -0.101 4.401 5.003 651 HD2 HIS 83 HD2 HIS 83 -2.566 0.995 4.915 652 HE1 HIS 83 HE1 HIS 83 -2.029 4.866 6.560 653 H PHE 84 H PHE 84 -1.360 -0.199 1.981 654 HA PHE 84 HA PHE 84 -4.116 0.728 1.289 655 HB2 PHE 84 HB1 PHE 84 -2.911 -2.056 1.215 656 HB3 PHE 84 HB2 PHE 84 -4.570 -1.619 0.770 657 HD1 PHE 84 HD1 PHE 84 -4.897 0.027 -1.171 658 HD2 PHE 84 HD2 PHE 84 -1.171 -2.002 -0.393 659 HE1 PHE 84 HE1 PHE 84 -4.162 0.450 -3.504 660 HE2 PHE 84 HE2 PHE 84 -0.445 -1.557 -2.726 661 HZ PHE 84 HZ PHE 84 -1.925 -0.283 -4.258 662 H MET 85 H MET 85 -5.601 0.681 2.898 663 HA MET 85 HA MET 85 -5.078 -0.819 5.411 664 HB2 MET 85 HB1 MET 85 -6.973 1.303 4.545 665 HB3 MET 85 HB2 MET 85 -7.646 0.067 5.641 666 HG2 MET 85 HG1 MET 85 -5.151 1.679 6.200 667 HG3 MET 85 HG2 MET 85 -6.774 2.003 6.857 668 HE1 MET 85 HE1 MET 85 -3.556 1.029 7.961 669 HE2 MET 85 HE2 MET 85 -3.595 -0.649 8.561 670 HE3 MET 85 HE3 MET 85 -3.656 -0.314 6.817 671 H LEU 86 H LEU 86 -5.553 -2.806 5.632 672 HA LEU 86 HA LEU 86 -7.322 -4.184 3.650 673 HB2 LEU 86 HB1 LEU 86 -5.061 -5.199 5.407 674 HB3 LEU 86 HB2 LEU 86 -6.059 -6.202 4.336 675 HG LEU 86 HG LEU 86 -3.987 -4.113 3.575 676 HD11 LEU 86 HD11 LEU 86 -3.085 -6.298 4.144 677 HD12 LEU 86 HD12 LEU 86 -3.030 -6.126 2.378 678 HD13 LEU 86 HD13 LEU 86 -4.283 -7.120 3.121 679 HD21 LEU 86 HD21 LEU 86 -4.512 -4.646 1.194 680 HD22 LEU 86 HD22 LEU 86 -5.821 -3.784 2.002 681 HD23 LEU 86 HD23 LEU 86 -5.953 -5.539 1.726 682 H LEU 87 H LEU 87 -9.259 -3.668 4.726 683 HA LEU 87 HA LEU 87 -9.682 -4.583 7.495 684 HB2 LEU 87 HB1 LEU 87 -11.407 -3.283 5.374 685 HB3 LEU 87 HB2 LEU 87 -12.080 -3.818 6.918 686 HG LEU 87 HG LEU 87 -11.683 -1.381 6.723 687 HD11 LEU 87 HD11 LEU 87 -10.688 -1.052 8.926 688 HD12 LEU 87 HD12 LEU 87 -10.043 -2.696 8.908 689 HD13 LEU 87 HD13 LEU 87 -11.802 -2.438 8.944 690 HD21 LEU 87 HD21 LEU 87 -9.495 -0.405 6.899 691 HD22 LEU 87 HD22 LEU 87 -9.530 -1.437 5.457 692 HD23 LEU 87 HD23 LEU 87 -8.710 -1.995 6.946 693 H GLY 88 H GLY 88 -10.803 -6.374 8.138 694 HA2 GLY 88 HA3 GLY 88 -12.079 -8.295 8.046 695 HA3 GLY 88 HA2 GLY 88 -12.555 -7.870 6.386 696 H LEU 89 H LEU 89 -9.560 -8.875 8.127 697 HA LEU 89 HA LEU 89 -8.298 -9.920 5.816 698 HB2 LEU 89 HB1 LEU 89 -7.789 -10.348 8.761 699 HB3 LEU 89 HB2 LEU 89 -6.721 -10.977 7.488 700 HG LEU 89 HG LEU 89 -7.371 -8.032 7.893 701 HD11 LEU 89 HD11 LEU 89 -6.140 -8.881 9.801 702 HD12 LEU 89 HD12 LEU 89 -5.049 -7.918 8.807 703 HD13 LEU 89 HD13 LEU 89 -4.964 -9.691 8.749 704 HD21 LEU 89 HD21 LEU 89 -5.378 -7.656 6.448 705 HD22 LEU 89 HD22 LEU 89 -6.691 -8.453 5.582 706 HD23 LEU 89 HD23 LEU 89 -5.290 -9.401 6.138 707 H LYS 90 H LYS 90 -8.454 -11.700 4.708 708 HA LYS 90 HA LYS 90 -10.219 -13.891 5.562 709 HB2 LYS 90 HB1 LYS 90 -8.569 -13.569 3.032 710 HB3 LYS 90 HB2 LYS 90 -9.892 -14.723 3.280 711 HG2 LYS 90 HG1 LYS 90 -10.105 -11.698 3.099 712 HG3 LYS 90 HG2 LYS 90 -10.625 -12.879 1.879 713 HD2 LYS 90 HD1 LYS 90 -12.368 -13.709 3.425 714 HD3 LYS 90 HD2 LYS 90 -11.802 -12.547 4.671 715 HE2 LYS 90 HE1 LYS 90 -13.627 -11.467 3.756 716 HE3 LYS 90 HE2 LYS 90 -12.232 -10.713 2.963 717 HZ1 LYS 90 HZ1 LYS 90 -14.027 -12.744 1.765 718 HZ2 LYS 90 HZ2 LYS 90 -12.727 -12.008 1.001 719 HZ3 LYS 90 HZ3 LYS 90 -14.026 -11.147 1.468 720 H ARG 91 H ARG 91 -7.118 -13.265 6.304 721 HA ARG 91 HA ARG 91 -6.535 -15.681 7.556 722 HB2 ARG 91 HB1 ARG 91 -4.540 -16.441 6.275 723 HB3 ARG 91 HB2 ARG 91 -6.063 -16.777 5.465 724 HG2 ARG 91 HG1 ARG 91 -4.972 -14.186 4.658 725 HG3 ARG 91 HG2 ARG 91 -3.765 -15.458 4.424 726 HD2 ARG 91 HD1 ARG 91 -6.610 -15.747 3.400 727 HD3 ARG 91 HD2 ARG 91 -5.338 -14.900 2.471 728 HE ARG 91 HE ARG 91 -4.300 -17.386 3.191 729 HH11 ARG 91 HH12 ARG 91 -6.839 -16.096 1.083 730 HH12 ARG 91 HH11 ARG 91 -6.655 -17.386 -0.076 731 HH21 ARG 91 HH22 ARG 91 -3.972 -18.879 1.546 732 HH22 ARG 91 HH21 ARG 91 -5.055 -18.945 0.190 733 HA PRO 92 HA PRO 92 -3.664 -12.715 9.329 734 HB2 PRO 92 HB1 PRO 92 -1.896 -14.295 10.687 735 HB3 PRO 92 HB2 PRO 92 -3.584 -14.048 11.228 736 HG2 PRO 92 HG1 PRO 92 -2.471 -16.350 9.597 737 HG3 PRO 92 HG2 PRO 92 -3.516 -16.436 11.060 738 HD2 PRO 92 HD1 PRO 92 -4.548 -16.623 8.537 739 HD3 PRO 92 HD2 PRO 92 -5.425 -15.765 9.836 740 H LEU 93 H LEU 93 -1.648 -11.832 8.897 741 HA LEU 93 HA LEU 93 -0.323 -12.687 6.427 742 HB2 LEU 93 HB1 LEU 93 0.279 -10.434 8.382 743 HB3 LEU 93 HB2 LEU 93 0.980 -10.628 6.760 744 HG LEU 93 HG LEU 93 -0.529 -8.896 6.564 745 HD11 LEU 93 HD11 LEU 93 -0.785 -10.636 4.794 746 HD12 LEU 93 HD12 LEU 93 -2.228 -9.630 5.037 747 HD13 LEU 93 HD13 LEU 93 -2.184 -11.289 5.671 748 HD21 LEU 93 HD21 LEU 93 -1.743 -9.165 8.711 749 HD22 LEU 93 HD22 LEU 93 -2.764 -10.411 7.955 750 HD23 LEU 93 HD23 LEU 93 -2.790 -8.762 7.339 751 H LYS 94 H LYS 94 1.207 -14.412 6.577 752 HA LYS 94 HA LYS 94 2.288 -14.925 9.269 753 HB2 LYS 94 HB1 LYS 94 1.685 -16.351 6.732 754 HB3 LYS 94 HB2 LYS 94 3.087 -16.919 7.661 755 HG2 LYS 94 HG1 LYS 94 0.518 -16.502 9.140 756 HG3 LYS 94 HG2 LYS 94 0.610 -17.899 8.043 757 HD2 LYS 94 HD1 LYS 94 2.939 -17.404 9.864 758 HD3 LYS 94 HD2 LYS 94 1.425 -18.002 10.597 759 HE2 LYS 94 HE1 LYS 94 3.060 -19.802 10.035 760 HE3 LYS 94 HE2 LYS 94 1.468 -19.996 9.266 761 HZ1 LYS 94 HZ1 LYS 94 3.338 -20.464 7.735 762 HZ2 LYS 94 HZ2 LYS 94 3.848 -18.912 7.813 763 HZ3 LYS 94 HZ3 LYS 94 2.451 -19.223 7.177 764 H ALA 95 H ALA 95 4.215 -14.117 9.838 765 HA ALA 95 HA ALA 95 6.377 -13.462 8.037 766 HB1 ALA 95 HB1 ALA 95 6.397 -14.352 10.961 767 HB2 ALA 95 HB2 ALA 95 7.762 -13.634 10.085 768 HB3 ALA 95 HB3 ALA 95 6.300 -12.671 10.379 769 H GLY 96 H GLY 96 7.252 -14.849 6.658 770 HA2 GLY 96 HA3 GLY 96 8.440 -17.159 6.554 771 HA3 GLY 96 HA2 GLY 96 6.850 -17.741 7.100 772 H GLU 97 H GLU 97 5.489 -15.541 5.223 773 HA GLU 97 HA GLU 97 6.154 -16.791 2.620 774 HB2 GLU 97 HB1 GLU 97 3.621 -16.625 2.296 775 HB3 GLU 97 HB2 GLU 97 4.356 -18.031 3.059 776 HG2 GLU 97 HG1 GLU 97 3.399 -15.919 4.894 777 HG3 GLU 97 HG2 GLU 97 2.195 -16.795 3.896 778 H GLU 98 H GLU 98 5.460 -15.763 0.788 779 HA GLU 98 HA GLU 98 5.193 -12.875 0.746 780 HB2 GLU 98 HB1 GLU 98 5.091 -15.050 -1.355 781 HB3 GLU 98 HB2 GLU 98 4.685 -13.340 -1.712 782 HG2 GLU 98 HG1 GLU 98 6.941 -13.794 -2.396 783 HG3 GLU 98 HG2 GLU 98 6.921 -12.642 -1.055 784 H VAL 99 H VAL 99 3.461 -11.728 0.542 785 HA VAL 99 HA VAL 99 0.730 -12.893 0.280 786 HB VAL 99 HB VAL 99 1.827 -10.124 0.852 787 HG11 VAL 99 HG11 VAL 99 0.065 -9.566 -0.720 788 HG12 VAL 99 HG12 VAL 99 -1.001 -10.821 -0.017 789 HG13 VAL 99 HG13 VAL 99 -0.620 -9.360 0.895 790 HG21 VAL 99 HG21 VAL 99 -0.166 -11.941 2.291 791 HG22 VAL 99 HG22 VAL 99 1.550 -11.828 2.684 792 HG23 VAL 99 HG23 VAL 99 0.507 -10.418 2.902 793 H GLU 100 H GLU 100 -0.100 -13.196 -1.638 794 HA GLU 100 HA GLU 100 0.903 -11.972 -4.108 795 HB2 GLU 100 HB1 GLU 100 -1.734 -13.337 -3.483 796 HB3 GLU 100 HB2 GLU 100 -1.213 -12.763 -5.094 797 HG2 GLU 100 HG1 GLU 100 0.756 -14.388 -4.852 798 HG3 GLU 100 HG2 GLU 100 -0.134 -15.101 -3.495 799 H LEU 101 H LEU 101 0.171 -10.160 -5.120 800 HA LEU 101 HA LEU 101 -2.216 -8.753 -4.216 801 HB2 LEU 101 HB1 LEU 101 0.463 -8.172 -3.269 802 HB3 LEU 101 HB2 LEU 101 -0.187 -6.779 -4.147 803 HG LEU 101 HG LEU 101 -1.584 -8.122 -1.851 804 HD11 LEU 101 HD11 LEU 101 0.002 -5.560 -2.038 805 HD12 LEU 101 HD12 LEU 101 0.479 -7.055 -1.177 806 HD13 LEU 101 HD13 LEU 101 -0.935 -6.132 -0.616 807 HD21 LEU 101 HD21 LEU 101 -3.078 -6.822 -3.504 808 HD22 LEU 101 HD22 LEU 101 -2.054 -5.410 -3.189 809 HD23 LEU 101 HD23 LEU 101 -3.028 -6.103 -1.885 810 H ASP 102 H ASP 102 -3.224 -8.125 -5.914 811 HA ASP 102 HA ASP 102 -1.924 -7.544 -8.493 812 HB2 ASP 102 HB1 ASP 102 -4.573 -8.520 -7.557 813 HB3 ASP 102 HB2 ASP 102 -4.524 -7.605 -9.076 814 H LEU 103 H LEU 103 -1.245 -5.481 -8.585 815 HA LEU 103 HA LEU 103 -2.480 -3.281 -7.191 816 HB2 LEU 103 HB1 LEU 103 -0.329 -3.372 -9.342 817 HB3 LEU 103 HB2 LEU 103 -0.634 -2.024 -8.243 818 HG LEU 103 HG LEU 103 0.427 -4.786 -7.486 819 HD11 LEU 103 HD11 LEU 103 2.032 -3.394 -8.740 820 HD12 LEU 103 HD12 LEU 103 2.535 -3.610 -7.059 821 HD13 LEU 103 HD13 LEU 103 1.807 -2.071 -7.572 822 HD21 LEU 103 HD21 LEU 103 -0.880 -3.882 -5.619 823 HD22 LEU 103 HD22 LEU 103 -0.020 -2.326 -5.732 824 HD23 LEU 103 HD23 LEU 103 0.839 -3.806 -5.243 825 H LEU 104 H LEU 104 -4.215 -2.139 -7.902 826 HA LEU 104 HA LEU 104 -5.166 -2.508 -10.669 827 HB2 LEU 104 HB1 LEU 104 -6.433 -0.872 -8.454 828 HB3 LEU 104 HB2 LEU 104 -7.195 -1.440 -9.948 829 HG LEU 104 HG LEU 104 -6.381 -3.034 -7.532 830 HD11 LEU 104 HD11 LEU 104 -9.097 -2.513 -8.800 831 HD12 LEU 104 HD12 LEU 104 -8.464 -1.760 -7.319 832 HD13 LEU 104 HD13 LEU 104 -8.799 -3.499 -7.355 833 HD21 LEU 104 HD21 LEU 104 -7.498 -4.059 -10.194 834 HD22 LEU 104 HD22 LEU 104 -7.392 -5.035 -8.716 835 HD23 LEU 104 HD23 LEU 104 -5.917 -4.461 -9.489 836 H PHE 105 H PHE 105 -4.751 -1.132 -12.248 837 HA PHE 105 HA PHE 105 -4.074 1.692 -11.545 838 HB2 PHE 105 HB1 PHE 105 -3.125 0.008 -13.865 839 HB3 PHE 105 HB2 PHE 105 -2.691 1.685 -13.610 840 HD1 PHE 105 HD2 PHE 105 -1.205 2.264 -11.650 841 HD2 PHE 105 HD1 PHE 105 -1.942 -1.816 -12.853 842 HE1 PHE 105 HE2 PHE 105 0.855 1.561 -10.481 843 HE2 PHE 105 HE1 PHE 105 0.108 -2.522 -11.664 844 HZ PHE 105 HZ PHE 105 1.510 -0.850 -10.465 845 H ALA 106 H ALA 106 -5.307 3.196 -12.348 846 HA ALA 106 HA ALA 106 -7.031 4.278 -13.398 847 HB1 ALA 106 HB1 ALA 106 -5.703 2.967 -15.803 848 HB2 ALA 106 HB2 ALA 106 -6.630 4.475 -15.795 849 HB3 ALA 106 HB3 ALA 106 -5.085 4.394 -14.931 850 H GLY 107 H GLY 107 -7.776 1.387 -12.665 851 HA2 GLY 107 HA3 GLY 107 -9.899 0.470 -12.540 852 HA3 GLY 107 HA2 GLY 107 -10.425 1.496 -13.894 853 H GLY 108 H GLY 108 -7.801 0.161 -15.236 854 HA2 GLY 108 HA3 GLY 108 -9.155 -2.382 -16.030 855 HA3 GLY 108 HA2 GLY 108 -8.695 -1.184 -17.261 856 H LYS 109 H LYS 109 -6.050 -0.693 -15.713 857 HA LYS 109 HA LYS 109 -4.610 -3.049 -16.826 858 HB2 LYS 109 HB1 LYS 109 -4.050 -0.304 -16.760 859 HB3 LYS 109 HB2 LYS 109 -2.981 -0.996 -15.536 860 HG2 LYS 109 HG1 LYS 109 -3.082 -1.949 -18.383 861 HG3 LYS 109 HG2 LYS 109 -1.938 -0.738 -17.726 862 HD2 LYS 109 HD1 LYS 109 -2.142 -3.625 -16.808 863 HD3 LYS 109 HD2 LYS 109 -0.909 -2.952 -17.911 864 HE2 LYS 109 HE1 LYS 109 -0.142 -1.422 -16.139 865 HE3 LYS 109 HE2 LYS 109 -1.393 -2.032 -15.033 866 HZ1 LYS 109 HZ1 LYS 109 -0.335 -4.201 -15.157 867 HZ2 LYS 109 HZ2 LYS 109 0.701 -3.066 -14.596 868 HZ3 LYS 109 HZ3 LYS 109 0.843 -3.600 -16.145 869 H VAL 110 H VAL 110 -3.742 -4.605 -15.418 870 HA VAL 110 HA VAL 110 -3.236 -3.804 -12.622 871 HB VAL 110 HB VAL 110 -5.390 -4.835 -12.637 872 HG11 VAL 110 HG11 VAL 110 -4.110 -7.207 -14.039 873 HG12 VAL 110 HG12 VAL 110 -5.765 -7.164 -13.388 874 HG13 VAL 110 HG13 VAL 110 -5.319 -6.081 -14.707 875 HG21 VAL 110 HG21 VAL 110 -5.187 -6.615 -11.060 876 HG22 VAL 110 HG22 VAL 110 -3.507 -6.931 -11.515 877 HG23 VAL 110 HG23 VAL 110 -3.944 -5.415 -10.696 878 H LEU 111 H LEU 111 -1.798 -5.266 -11.417 879 HA LEU 111 HA LEU 111 -0.140 -7.170 -12.943 880 HB2 LEU 111 HB1 LEU 111 0.862 -4.603 -11.757 881 HB3 LEU 111 HB2 LEU 111 1.832 -6.047 -11.400 882 HG LEU 111 HG LEU 111 1.092 -5.371 -14.226 883 HD11 LEU 111 HD11 LEU 111 2.090 -3.323 -13.252 884 HD12 LEU 111 HD12 LEU 111 3.193 -4.082 -14.419 885 HD13 LEU 111 HD13 LEU 111 3.475 -4.272 -12.676 886 HD21 LEU 111 HD21 LEU 111 3.467 -6.830 -13.004 887 HD22 LEU 111 HD22 LEU 111 3.157 -6.600 -14.737 888 HD23 LEU 111 HD23 LEU 111 2.059 -7.598 -13.767 889 H LYS 112 H LYS 112 -0.194 -8.962 -11.800 890 HA LYS 112 HA LYS 112 -0.409 -9.021 -8.886 891 HB2 LYS 112 HB1 LYS 112 -1.221 -10.931 -10.170 892 HB3 LYS 112 HB2 LYS 112 0.405 -11.224 -10.818 893 HG2 LYS 112 HG1 LYS 112 1.279 -11.763 -8.664 894 HG3 LYS 112 HG2 LYS 112 -0.145 -11.139 -7.818 895 HD2 LYS 112 HD1 LYS 112 -0.295 -13.539 -9.675 896 HD3 LYS 112 HD2 LYS 112 0.137 -13.662 -7.940 897 HE2 LYS 112 HE1 LYS 112 -2.002 -12.428 -7.420 898 HE3 LYS 112 HE2 LYS 112 -2.467 -12.571 -9.114 899 HZ1 LYS 112 HZ1 LYS 112 -2.528 -14.957 -8.827 900 HZ2 LYS 112 HZ2 LYS 112 -3.299 -14.331 -7.491 901 HZ3 LYS 112 HZ3 LYS 112 -1.799 -14.892 -7.370 902 H VAL 113 H VAL 113 1.167 -8.294 -7.666 903 HA VAL 113 HA VAL 113 3.983 -9.168 -8.225 904 HB VAL 113 HB VAL 113 4.707 -7.642 -6.446 905 HG11 VAL 113 HG11 VAL 113 3.247 -6.206 -8.708 906 HG12 VAL 113 HG12 VAL 113 4.605 -5.573 -7.756 907 HG13 VAL 113 HG13 VAL 113 4.847 -6.969 -8.822 908 HG21 VAL 113 HG21 VAL 113 2.551 -7.373 -5.199 909 HG22 VAL 113 HG22 VAL 113 3.319 -5.830 -5.607 910 HG23 VAL 113 HG23 VAL 113 1.927 -6.394 -6.542 911 H VAL 114 H VAL 114 5.054 -10.269 -6.506 912 HA VAL 114 HA VAL 114 3.402 -11.304 -4.307 913 HB VAL 114 HB VAL 114 5.283 -12.889 -3.965 914 HG11 VAL 114 HG11 VAL 114 3.027 -13.591 -4.662 915 HG12 VAL 114 HG12 VAL 114 3.437 -13.272 -6.362 916 HG13 VAL 114 HG13 VAL 114 4.257 -14.576 -5.473 917 HG21 VAL 114 HG21 VAL 114 5.754 -12.295 -6.873 918 HG22 VAL 114 HG22 VAL 114 6.849 -11.905 -5.521 919 HG23 VAL 114 HG23 VAL 114 6.524 -13.603 -5.935 920 H LEU 115 H LEU 115 4.062 -10.648 -2.279 921 HA LEU 115 HA LEU 115 6.606 -9.102 -2.005 922 HB2 LEU 115 HB1 LEU 115 3.825 -8.322 -1.047 923 HB3 LEU 115 HB2 LEU 115 5.312 -7.445 -0.653 924 HG LEU 115 HG LEU 115 4.128 -7.745 -3.450 925 HD11 LEU 115 HD11 LEU 115 2.668 -6.434 -2.003 926 HD12 LEU 115 HD12 LEU 115 3.488 -5.362 -3.148 927 HD13 LEU 115 HD13 LEU 115 4.037 -5.449 -1.455 928 HD21 LEU 115 HD21 LEU 115 6.402 -6.008 -2.407 929 HD22 LEU 115 HD22 LEU 115 5.708 -5.910 -4.039 930 HD23 LEU 115 HD23 LEU 115 6.577 -7.363 -3.523 931 HA PRO 116 HA PRO 116 6.804 -11.913 1.542 932 HB2 PRO 116 HB1 PRO 116 8.734 -10.659 3.041 933 HB3 PRO 116 HB2 PRO 116 9.063 -11.663 1.597 934 HG2 PRO 116 HG1 PRO 116 8.742 -8.644 1.722 935 HG3 PRO 116 HG2 PRO 116 10.084 -9.573 0.969 936 HD2 PRO 116 HD1 PRO 116 8.075 -8.692 -0.571 937 HD3 PRO 116 HD2 PRO 116 8.625 -10.384 -0.773 938 H VAL 117 H VAL 117 5.906 -12.048 3.623 939 HA VAL 117 HA VAL 117 4.642 -9.686 4.781 940 HB VAL 117 HB VAL 117 5.055 -12.515 5.749 941 HG11 VAL 117 HG11 VAL 117 3.403 -11.892 7.559 942 HG12 VAL 117 HG12 VAL 117 5.000 -11.173 7.738 943 HG13 VAL 117 HG13 VAL 117 3.643 -10.194 7.119 944 HG21 VAL 117 HG21 VAL 117 3.381 -12.200 3.920 945 HG22 VAL 117 HG22 VAL 117 2.580 -12.654 5.425 946 HG23 VAL 117 HG23 VAL 117 2.557 -10.961 4.886 947 H GLU 118 H GLU 118 5.453 -8.396 6.410 948 HA GLU 118 HA GLU 118 7.890 -9.112 7.875 949 HB2 GLU 118 HB1 GLU 118 8.154 -7.737 5.500 950 HB3 GLU 118 HB2 GLU 118 8.146 -6.423 6.669 951 HG2 GLU 118 HG1 GLU 118 9.984 -8.792 7.030 952 HG3 GLU 118 HG2 GLU 118 10.392 -7.464 5.909 953 H ALA 119 H ALA 119 8.295 -7.621 9.656 954 HA ALA 119 HA ALA 119 5.601 -7.172 10.868 955 HB1 ALA 119 HB1 ALA 119 6.980 -9.114 11.590 956 HB2 ALA 119 HB2 ALA 119 8.278 -8.006 12.075 957 HB3 ALA 119 HB3 ALA 119 6.714 -7.962 12.920 958 H ARG 120 H ARG 120 6.117 -4.957 9.684 959 HA ARG 120 HA ARG 120 7.137 -2.995 11.745 960 HB2 ARG 120 HB1 ARG 120 6.979 -2.899 8.722 961 HB3 ARG 120 HB2 ARG 120 6.927 -1.398 9.694 962 HG2 ARG 120 HG1 ARG 120 9.104 -1.722 8.787 963 HG3 ARG 120 HG2 ARG 120 9.162 -1.819 10.545 964 HD2 ARG 120 HD1 ARG 120 9.122 -4.286 8.767 965 HD3 ARG 120 HD2 ARG 120 10.623 -3.427 9.192 966 HE ARG 120 HE ARG 120 8.831 -4.306 11.372 967 HH11 ARG 120 HH12 ARG 120 11.485 -5.458 9.531 968 HH12 ARG 120 HH11 ARG 120 12.182 -6.290 10.833 969 HH21 ARG 120 HH22 ARG 120 9.407 -5.713 12.750 970 HH22 ARG 120 HH21 ARG 120 10.955 -6.533 12.690 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 16.066 -2.158 0.841 2 H2 GLY 1 2H GLY 1 16.751 -3.333 -0.050 3 H3 GLY 1 3H GLY 1 17.700 -2.108 0.597 4 HA2 GLY 1 HA3 GLY 1 16.171 -4.083 2.164 5 HA3 GLY 1 HA2 GLY 1 17.913 -4.212 1.833 6 H SER 2 H SER 2 16.270 -3.652 4.401 7 HA SER 2 HA SER 2 16.146 -2.198 6.181 8 HB2 SER 2 HB1 SER 2 18.139 -0.348 4.849 9 HB3 SER 2 HB2 SER 2 17.568 -0.315 6.536 10 HG SER 2 HG SER 2 19.677 -1.327 6.105 11 H PHE 3 H PHE 3 14.481 -2.349 3.985 12 HA PHE 3 HA PHE 3 12.695 -1.489 3.000 13 HB2 PHE 3 HB1 PHE 3 13.252 1.232 4.181 14 HB3 PHE 3 HB2 PHE 3 11.737 0.641 3.469 15 HD1 PHE 3 HD1 PHE 3 10.879 -1.690 4.568 16 HD2 PHE 3 HD2 PHE 3 13.399 1.208 6.529 17 HE1 PHE 3 HE1 PHE 3 10.321 -2.693 6.760 18 HE2 PHE 3 HE2 PHE 3 12.809 0.220 8.732 19 HZ PHE 3 HZ PHE 3 11.291 -1.746 8.846 20 H THR 4 H THR 4 12.228 0.585 1.471 21 HA THR 4 HA THR 4 12.640 1.494 -0.571 22 HB THR 4 HB THR 4 15.214 1.183 -0.250 23 HG1 THR 4 HG1 THR 4 13.646 1.302 -2.580 24 HG21 THR 4 HG21 THR 4 16.297 -0.266 -1.817 25 HG22 THR 4 HG22 THR 4 14.758 -0.841 -2.490 26 HG23 THR 4 HG23 THR 4 15.237 -1.308 -0.856 27 H GLU 5 H GLU 5 12.892 -1.884 0.168 28 HA GLU 5 HA GLU 5 11.085 -2.626 -2.067 29 HB2 GLU 5 HB1 GLU 5 12.078 -4.423 0.141 30 HB3 GLU 5 HB2 GLU 5 11.342 -4.864 -1.428 31 HG2 GLU 5 HG1 GLU 5 13.486 -5.207 -2.035 32 HG3 GLU 5 HG2 GLU 5 13.480 -3.466 -2.330 33 H GLY 6 H GLY 6 9.226 -4.126 -1.362 34 HA2 GLY 6 HA3 GLY 6 7.533 -2.649 0.553 35 HA3 GLY 6 HA2 GLY 6 6.989 -3.781 -0.706 36 H TRP 7 H TRP 7 5.954 -3.864 1.859 37 HA TRP 7 HA TRP 7 6.417 -6.617 2.555 38 HB2 TRP 7 HB1 TRP 7 7.061 -6.355 4.839 39 HB3 TRP 7 HB2 TRP 7 8.275 -5.584 3.843 40 HD1 TRP 7 HD TRP 7 6.411 -5.188 6.884 41 HE1 TRP 7 HE1 TRP 7 6.578 -2.826 7.863 42 HE3 TRP 7 3HE TRP 7 8.319 -2.710 2.809 43 HZ2 TRP 7 HZ2 TRP 7 7.309 -0.192 6.975 44 HZ3 TRP 7 HZ3 TRP 7 8.688 -0.282 2.893 45 HH2 TRP 7 HH TRP 7 8.212 0.999 4.956 46 H VAL 8 H VAL 8 4.835 -7.502 3.970 47 HA VAL 8 HA VAL 8 2.439 -5.769 4.502 48 HB VAL 8 HB VAL 8 2.640 -8.804 4.357 49 HG11 VAL 8 HG11 VAL 8 0.234 -6.981 4.856 50 HG12 VAL 8 HG12 VAL 8 0.142 -8.725 4.527 51 HG13 VAL 8 HG13 VAL 8 0.925 -8.155 6.000 52 HG21 VAL 8 HG21 VAL 8 2.759 -7.841 2.137 53 HG22 VAL 8 HG22 VAL 8 1.107 -8.424 2.358 54 HG23 VAL 8 HG23 VAL 8 1.450 -6.695 2.491 55 H ARG 9 H ARG 9 1.887 -5.302 6.557 56 HA ARG 9 HA ARG 9 3.755 -6.074 8.656 57 HB2 ARG 9 HB1 ARG 9 2.269 -3.825 8.202 58 HB3 ARG 9 HB2 ARG 9 1.246 -4.630 9.401 59 HG2 ARG 9 HG1 ARG 9 3.296 -4.928 10.844 60 HG3 ARG 9 HG2 ARG 9 4.212 -3.986 9.635 61 HD2 ARG 9 HD1 ARG 9 3.624 -2.611 11.567 62 HD3 ARG 9 HD2 ARG 9 2.867 -2.024 10.074 63 HE ARG 9 HE ARG 9 0.813 -2.382 11.018 64 HH11 ARG 9 HH12 ARG 9 3.161 -4.176 13.008 65 HH12 ARG 9 HH11 ARG 9 1.921 -4.788 14.055 66 HH21 ARG 9 HH22 ARG 9 -0.735 -3.209 12.419 67 HH22 ARG 9 HH21 ARG 9 -0.263 -4.399 13.598 68 H PHE 10 H PHE 10 3.613 -8.021 9.628 69 HA PHE 10 HA PHE 10 1.437 -9.731 9.882 70 HB2 PHE 10 HB1 PHE 10 3.681 -10.389 10.462 71 HB3 PHE 10 HB2 PHE 10 3.761 -9.138 11.722 72 HD1 PHE 10 HD1 PHE 10 1.985 -12.251 10.745 73 HD2 PHE 10 HD2 PHE 10 3.052 -9.602 13.959 74 HE1 PHE 10 HE1 PHE 10 1.004 -13.850 12.374 75 HE2 PHE 10 HE2 PHE 10 2.066 -11.182 15.596 76 HZ PHE 10 HZ PHE 10 1.021 -13.297 14.809 77 H SER 11 H SER 11 -0.561 -9.249 10.638 78 HA SER 11 HA SER 11 -0.880 -9.010 13.493 79 HB2 SER 11 HB1 SER 11 -1.682 -6.792 11.596 80 HB3 SER 11 HB2 SER 11 -2.619 -7.145 13.060 81 HG SER 11 HG SER 11 0.196 -6.814 13.102 82 HA PRO 12 HA PRO 12 -3.956 -11.631 11.353 83 HB2 PRO 12 HB1 PRO 12 -4.322 -13.548 13.209 84 HB3 PRO 12 HB2 PRO 12 -2.735 -13.353 12.392 85 HG2 PRO 12 HG1 PRO 12 -3.557 -12.254 15.098 86 HG3 PRO 12 HG2 PRO 12 -2.093 -13.224 14.699 87 HD2 PRO 12 HD1 PRO 12 -2.087 -10.470 14.793 88 HD3 PRO 12 HD2 PRO 12 -1.059 -11.394 13.661 89 H GLY 13 H GLY 13 -4.951 -9.253 12.005 90 HA2 GLY 13 HA3 GLY 13 -6.901 -9.478 14.228 91 HA3 GLY 13 HA2 GLY 13 -6.299 -7.978 13.487 92 HA PRO 14 HA PRO 14 -10.537 -8.655 11.615 93 HB2 PRO 14 HB1 PRO 14 -11.711 -6.410 12.620 94 HB3 PRO 14 HB2 PRO 14 -11.721 -7.968 13.498 95 HG2 PRO 14 HG1 PRO 14 -9.817 -5.636 13.870 96 HG3 PRO 14 HG2 PRO 14 -10.726 -6.537 15.138 97 HD2 PRO 14 HD1 PRO 14 -8.119 -7.107 14.528 98 HD3 PRO 14 HD2 PRO 14 -9.279 -8.393 14.970 99 H ASN 15 H ASN 15 -7.955 -6.321 11.968 100 HA ASN 15 HA ASN 15 -8.037 -5.763 9.161 101 HB2 ASN 15 HB1 ASN 15 -7.894 -3.269 9.491 102 HB3 ASN 15 HB2 ASN 15 -9.497 -4.003 9.666 103 HD21 ASN 15 HD21 ASN 15 -10.600 -3.748 11.632 104 HD22 ASN 15 HD22 ASN 15 -9.879 -2.886 12.999 105 H ALA 16 H ALA 16 -6.102 -4.711 8.444 106 HA ALA 16 HA ALA 16 -3.749 -4.501 10.133 107 HB1 ALA 16 HB1 ALA 16 -3.912 -6.785 8.109 108 HB2 ALA 16 HB2 ALA 16 -2.498 -6.361 9.096 109 HB3 ALA 16 HB3 ALA 16 -3.961 -6.976 9.873 110 H ALA 17 H ALA 17 -1.737 -4.602 8.192 111 HA ALA 17 HA ALA 17 -2.540 -2.525 6.233 112 HB1 ALA 17 HB1 ALA 17 -2.031 -1.320 8.352 113 HB2 ALA 17 HB2 ALA 17 -0.411 -2.064 8.370 114 HB3 ALA 17 HB3 ALA 17 -0.869 -0.944 7.069 115 H ALA 18 H ALA 18 -1.199 -2.219 4.513 116 HA ALA 18 HA ALA 18 1.268 -3.896 4.305 117 HB1 ALA 18 HB1 ALA 18 -1.006 -3.750 2.280 118 HB2 ALA 18 HB2 ALA 18 0.545 -4.570 2.030 119 HB3 ALA 18 HB3 ALA 18 -0.573 -5.160 3.279 120 H TYR 19 H TYR 19 2.841 -3.217 2.985 121 HA TYR 19 HA TYR 19 2.826 -0.402 1.977 122 HB2 TYR 19 HB1 TYR 19 5.086 -1.911 3.337 123 HB3 TYR 19 HB2 TYR 19 5.052 -0.198 2.989 124 HD1 TYR 19 HD1 TYR 19 2.932 1.078 4.155 125 HD2 TYR 19 HD2 TYR 19 4.629 -2.659 5.418 126 HE1 TYR 19 HE1 TYR 19 1.868 1.356 6.403 127 HE2 TYR 19 HE2 TYR 19 3.736 -2.353 7.674 128 HH TYR 19 HH TYR 19 1.624 0.480 8.492 129 H LEU 20 H LEU 20 4.304 -0.071 0.141 130 HA LEU 20 HA LEU 20 5.478 -2.456 -1.053 131 HB2 LEU 20 HB1 LEU 20 4.062 -2.566 -3.022 132 HB3 LEU 20 HB2 LEU 20 3.255 -3.068 -1.541 133 HG LEU 20 HG LEU 20 2.858 -0.313 -2.761 134 HD11 LEU 20 HD11 LEU 20 0.902 -1.208 -3.911 135 HD12 LEU 20 HD12 LEU 20 1.240 -2.843 -3.285 136 HD13 LEU 20 HD13 LEU 20 2.351 -2.070 -4.437 137 HD21 LEU 20 HD21 LEU 20 0.604 -0.571 -1.586 138 HD22 LEU 20 HD22 LEU 20 1.957 -0.445 -0.481 139 HD23 LEU 20 HD23 LEU 20 1.234 -2.033 -0.811 140 H THR 21 H THR 21 6.936 -2.231 -2.515 141 HA THR 21 HA THR 21 7.573 0.459 -3.493 142 HB THR 21 HB THR 21 9.145 -2.134 -3.912 143 HG1 THR 21 HG1 THR 21 10.324 -0.613 -2.344 144 HG21 THR 21 HG21 THR 21 10.905 -0.614 -4.587 145 HG22 THR 21 HG22 THR 21 9.950 0.815 -4.129 146 HG23 THR 21 HG23 THR 21 9.524 -0.144 -5.575 147 H LEU 22 H LEU 22 6.980 1.224 -5.289 148 HA LEU 22 HA LEU 22 5.865 -0.454 -7.439 149 HB2 LEU 22 HB1 LEU 22 4.748 1.678 -5.905 150 HB3 LEU 22 HB2 LEU 22 5.171 2.409 -7.462 151 HG LEU 22 HG LEU 22 2.890 1.739 -7.524 152 HD11 LEU 22 HD11 LEU 22 4.492 -0.326 -9.086 153 HD12 LEU 22 HD12 LEU 22 4.341 1.382 -9.539 154 HD13 LEU 22 HD13 LEU 22 2.897 0.345 -9.494 155 HD21 LEU 22 HD21 LEU 22 3.746 -1.107 -6.842 156 HD22 LEU 22 HD22 LEU 22 2.092 -0.494 -7.083 157 HD23 LEU 22 HD23 LEU 22 3.031 0.042 -5.688 158 H GLU 23 H GLU 23 6.734 -0.159 -9.398 159 HA GLU 23 HA GLU 23 8.339 2.210 -9.977 160 HB2 GLU 23 HB1 GLU 23 10.235 1.060 -10.841 161 HB3 GLU 23 HB2 GLU 23 10.006 0.658 -9.125 162 HG2 GLU 23 HG1 GLU 23 9.066 -1.556 -9.825 163 HG3 GLU 23 HG2 GLU 23 9.408 -1.136 -11.520 164 H ASN 24 H ASN 24 8.345 2.817 -12.027 165 HA ASN 24 HA ASN 24 6.569 1.289 -13.886 166 HB2 ASN 24 HB1 ASN 24 5.790 3.472 -13.012 167 HB3 ASN 24 HB2 ASN 24 7.182 4.261 -13.748 168 HD21 ASN 24 HD21 ASN 24 4.460 4.851 -14.394 169 HD22 ASN 24 HD22 ASN 24 4.292 4.439 -16.102 170 HA PRO 25 HA PRO 25 10.585 1.180 -16.023 171 HB2 PRO 25 HB1 PRO 25 10.345 -1.213 -17.304 172 HB3 PRO 25 HB2 PRO 25 10.586 -1.132 -15.532 173 HG2 PRO 25 HG1 PRO 25 7.951 -1.389 -17.027 174 HG3 PRO 25 HG2 PRO 25 8.555 -2.432 -15.692 175 HD2 PRO 25 HD1 PRO 25 6.866 -0.331 -15.243 176 HD3 PRO 25 HD2 PRO 25 8.170 -0.746 -14.091 177 H GLY 26 H GLY 26 7.460 1.718 -17.233 178 HA2 GLY 26 HA3 GLY 26 8.256 1.659 -20.090 179 HA3 GLY 26 HA2 GLY 26 6.610 1.847 -19.443 180 H ASP 27 H ASP 27 6.944 3.523 -21.270 181 HA ASP 27 HA ASP 27 7.946 6.127 -20.248 182 HB2 ASP 27 HB1 ASP 27 7.429 5.036 -23.016 183 HB3 ASP 27 HB2 ASP 27 7.789 6.752 -22.691 184 H LEU 28 H LEU 28 5.155 4.677 -19.859 185 HA LEU 28 HA LEU 28 3.569 7.167 -20.130 186 HB2 LEU 28 HB1 LEU 28 1.604 5.894 -20.683 187 HB3 LEU 28 HB2 LEU 28 2.914 5.564 -21.843 188 HG LEU 28 HG LEU 28 3.301 3.406 -20.373 189 HD11 LEU 28 HD11 LEU 28 0.432 4.161 -19.621 190 HD12 LEU 28 HD12 LEU 28 1.775 3.867 -18.506 191 HD13 LEU 28 HD13 LEU 28 1.121 2.531 -19.440 192 HD21 LEU 28 HD21 LEU 28 1.652 2.196 -21.760 193 HD22 LEU 28 HD22 LEU 28 2.516 3.414 -22.705 194 HD23 LEU 28 HD23 LEU 28 0.854 3.734 -22.162 195 HA PRO 29 HA PRO 29 3.188 6.760 -15.851 196 HB2 PRO 29 HB1 PRO 29 0.997 8.181 -15.153 197 HB3 PRO 29 HB2 PRO 29 2.365 8.919 -16.041 198 HG2 PRO 29 HG1 PRO 29 -0.243 7.867 -17.170 199 HG3 PRO 29 HG2 PRO 29 0.564 9.435 -17.525 200 HD2 PRO 29 HD1 PRO 29 0.795 7.163 -19.106 201 HD3 PRO 29 HD2 PRO 29 2.073 8.391 -19.002 202 H LEU 30 H LEU 30 2.125 5.894 -13.943 203 HA LEU 30 HA LEU 30 0.046 3.786 -14.418 204 HB2 LEU 30 HB1 LEU 30 2.773 3.563 -13.525 205 HB3 LEU 30 HB2 LEU 30 1.673 3.004 -12.254 206 HG LEU 30 HG LEU 30 0.651 1.419 -13.766 207 HD11 LEU 30 HD11 LEU 30 0.817 2.459 -15.948 208 HD12 LEU 30 HD12 LEU 30 1.618 0.888 -15.963 209 HD13 LEU 30 HD13 LEU 30 2.596 2.377 -15.885 210 HD21 LEU 30 HD21 LEU 30 2.674 0.817 -12.473 211 HD22 LEU 30 HD22 LEU 30 3.682 1.265 -13.869 212 HD23 LEU 30 HD23 LEU 30 2.542 -0.102 -13.989 213 H ARG 31 H ARG 31 -1.634 4.413 -13.450 214 HA ARG 31 HA ARG 31 -1.582 5.901 -10.846 215 HB2 ARG 31 HB1 ARG 31 -2.517 7.279 -12.505 216 HB3 ARG 31 HB2 ARG 31 -3.572 5.985 -13.097 217 HG2 ARG 31 HG1 ARG 31 -5.005 6.146 -11.224 218 HG3 ARG 31 HG2 ARG 31 -3.822 7.067 -10.272 219 HD2 ARG 31 HD1 ARG 31 -5.764 8.401 -11.102 220 HD3 ARG 31 HD2 ARG 31 -4.183 9.044 -11.530 221 HE ARG 31 HE ARG 31 -6.123 7.668 -13.331 222 HH11 ARG 31 HH12 ARG 31 -3.176 9.714 -13.067 223 HH12 ARG 31 HH11 ARG 31 -3.056 9.901 -14.755 224 HH21 ARG 31 HH22 ARG 31 -5.943 8.068 -15.520 225 HH22 ARG 31 HH21 ARG 31 -4.655 9.079 -16.122 226 H LEU 32 H LEU 32 -1.791 4.715 -9.198 227 HA LEU 32 HA LEU 32 -3.068 2.064 -9.250 228 HB2 LEU 32 HB1 LEU 32 -0.826 2.348 -8.364 229 HB3 LEU 32 HB2 LEU 32 -1.384 3.600 -7.240 230 HG LEU 32 HG LEU 32 -2.800 1.796 -6.112 231 HD11 LEU 32 HD11 LEU 32 -2.105 -0.564 -6.538 232 HD12 LEU 32 HD12 LEU 32 -1.105 -0.011 -7.898 233 HD13 LEU 32 HD13 LEU 32 -2.872 0.151 -7.961 234 HD21 LEU 32 HD21 LEU 32 -0.879 0.841 -4.900 235 HD22 LEU 32 HD22 LEU 32 -0.613 2.563 -5.216 236 HD23 LEU 32 HD23 LEU 32 0.221 1.343 -6.202 237 H VAL 33 H VAL 33 -5.184 2.073 -8.991 238 HA VAL 33 HA VAL 33 -6.560 4.138 -7.336 239 HB VAL 33 HB VAL 33 -8.644 3.415 -8.417 240 HG11 VAL 33 HG11 VAL 33 -8.182 4.310 -10.660 241 HG12 VAL 33 HG12 VAL 33 -7.352 5.243 -9.412 242 HG13 VAL 33 HG13 VAL 33 -6.438 4.098 -10.405 243 HG21 VAL 33 HG21 VAL 33 -8.026 1.029 -8.946 244 HG22 VAL 33 HG22 VAL 33 -8.724 1.917 -10.305 245 HG23 VAL 33 HG23 VAL 33 -6.982 1.646 -10.253 246 H GLY 34 H GLY 34 -5.584 0.841 -7.117 247 HA2 GLY 34 HA3 GLY 34 -6.506 0.471 -4.486 248 HA3 GLY 34 HA2 GLY 34 -7.691 -0.281 -5.578 249 H ALA 35 H ALA 35 -7.011 -2.323 -4.500 250 HA ALA 35 HA ALA 35 -4.987 -3.635 -6.112 251 HB1 ALA 35 HB1 ALA 35 -3.446 -2.981 -4.465 252 HB2 ALA 35 HB2 ALA 35 -4.631 -3.053 -3.156 253 HB3 ALA 35 HB3 ALA 35 -3.970 -4.543 -3.801 254 H ARG 36 H ARG 36 -4.834 -6.127 -4.956 255 HA ARG 36 HA ARG 36 -7.116 -6.912 -3.446 256 HB2 ARG 36 HB1 ARG 36 -8.215 -8.476 -4.975 257 HB3 ARG 36 HB2 ARG 36 -8.436 -6.800 -5.491 258 HG2 ARG 36 HG1 ARG 36 -6.495 -7.184 -7.102 259 HG3 ARG 36 HG2 ARG 36 -6.621 -8.910 -6.683 260 HD2 ARG 36 HD1 ARG 36 -8.989 -8.887 -7.471 261 HD3 ARG 36 HD2 ARG 36 -8.770 -7.200 -7.980 262 HE ARG 36 HE ARG 36 -6.702 -8.895 -9.089 263 HH11 ARG 36 HH12 ARG 36 -10.083 -8.046 -9.692 264 HH12 ARG 36 HH11 ARG 36 -9.992 -8.596 -11.347 265 HH21 ARG 36 HH22 ARG 36 -6.623 -9.529 -11.072 266 HH22 ARG 36 HH21 ARG 36 -8.001 -9.461 -12.161 267 H THR 37 H THR 37 -6.593 -8.799 -2.352 268 HA THR 37 HA THR 37 -4.263 -10.363 -3.335 269 HB THR 37 HB THR 37 -3.229 -8.818 -1.877 270 HG1 THR 37 HG1 THR 37 -2.410 -10.733 -1.579 271 HG21 THR 37 HG21 THR 37 -5.172 -8.057 -0.481 272 HG22 THR 37 HG22 THR 37 -3.761 -8.542 0.471 273 HG23 THR 37 HG23 THR 37 -5.137 -9.648 0.328 274 HA PRO 38 HA PRO 38 -7.071 -13.646 -2.043 275 HB2 PRO 38 HB1 PRO 38 -5.386 -15.768 -1.684 276 HB3 PRO 38 HB2 PRO 38 -5.791 -15.079 -3.289 277 HG2 PRO 38 HG1 PRO 38 -3.350 -14.482 -1.612 278 HG3 PRO 38 HG2 PRO 38 -3.408 -14.977 -3.345 279 HD2 PRO 38 HD1 PRO 38 -3.241 -12.363 -2.636 280 HD3 PRO 38 HD2 PRO 38 -4.270 -12.873 -3.997 281 H VAL 39 H VAL 39 -4.358 -12.642 -0.069 282 HA VAL 39 HA VAL 39 -5.277 -14.079 2.291 283 HB VAL 39 HB VAL 39 -3.543 -13.180 3.517 284 HG11 VAL 39 HG11 VAL 39 -2.463 -13.260 0.658 285 HG12 VAL 39 HG12 VAL 39 -1.572 -13.582 2.162 286 HG13 VAL 39 HG13 VAL 39 -2.856 -14.684 1.647 287 HG21 VAL 39 HG21 VAL 39 -3.311 -10.893 1.529 288 HG22 VAL 39 HG22 VAL 39 -3.754 -10.784 3.236 289 HG23 VAL 39 HG23 VAL 39 -2.112 -11.246 2.784 290 H ALA 40 H ALA 40 -6.953 -11.686 0.816 291 HA ALA 40 HA ALA 40 -8.053 -10.636 3.336 292 HB1 ALA 40 HB1 ALA 40 -6.982 -8.708 1.254 293 HB2 ALA 40 HB2 ALA 40 -7.536 -8.336 2.887 294 HB3 ALA 40 HB3 ALA 40 -6.027 -9.221 2.673 295 H GLU 41 H GLU 41 -9.453 -8.520 2.427 296 HA GLU 41 HA GLU 41 -11.277 -9.495 0.289 297 HB2 GLU 41 HB1 GLU 41 -12.222 -10.022 2.491 298 HB3 GLU 41 HB2 GLU 41 -12.130 -8.330 2.979 299 HG2 GLU 41 HG1 GLU 41 -13.870 -7.700 1.573 300 HG3 GLU 41 HG2 GLU 41 -13.543 -8.988 0.392 301 H ARG 42 H ARG 42 -11.645 -6.631 2.321 302 HA ARG 42 HA ARG 42 -11.457 -4.761 0.074 303 HB2 ARG 42 HB1 ARG 42 -12.220 -4.778 2.973 304 HB3 ARG 42 HB2 ARG 42 -11.757 -3.238 2.249 305 HG2 ARG 42 HG1 ARG 42 -13.539 -3.305 0.678 306 HG3 ARG 42 HG2 ARG 42 -13.866 -5.021 0.989 307 HD2 ARG 42 HD1 ARG 42 -14.180 -2.796 3.053 308 HD3 ARG 42 HD2 ARG 42 -15.514 -3.437 2.083 309 HE ARG 42 HE ARG 42 -14.155 -4.697 4.355 310 HH11 ARG 42 HH12 ARG 42 -16.212 -5.567 1.564 311 HH12 ARG 42 HH11 ARG 42 -16.304 -7.224 2.176 312 HH21 ARG 42 HH22 ARG 42 -14.357 -6.811 4.886 313 HH22 ARG 42 HH21 ARG 42 -15.406 -7.849 3.909 314 H VAL 43 H VAL 43 -10.155 -2.757 0.454 315 HA VAL 43 HA VAL 43 -7.471 -2.957 1.348 316 HB VAL 43 HB VAL 43 -7.270 -4.961 0.055 317 HG11 VAL 43 HG11 VAL 43 -9.049 -4.456 -1.631 318 HG12 VAL 43 HG12 VAL 43 -7.898 -3.395 -2.456 319 HG13 VAL 43 HG13 VAL 43 -7.545 -5.125 -2.286 320 HG21 VAL 43 HG21 VAL 43 -5.353 -3.456 0.290 321 HG22 VAL 43 HG22 VAL 43 -5.287 -4.404 -1.210 322 HG23 VAL 43 HG23 VAL 43 -5.756 -2.685 -1.243 323 H GLU 44 H GLU 44 -8.277 -1.048 1.738 324 HA GLU 44 HA GLU 44 -8.868 0.943 -0.393 325 HB2 GLU 44 HB1 GLU 44 -9.350 0.841 2.591 326 HB3 GLU 44 HB2 GLU 44 -9.528 2.347 1.632 327 HG2 GLU 44 HG1 GLU 44 -11.688 1.521 1.787 328 HG3 GLU 44 HG2 GLU 44 -11.171 1.074 0.163 329 H LEU 45 H LEU 45 -7.282 2.288 -1.127 330 HA LEU 45 HA LEU 45 -4.775 2.416 0.278 331 HB2 LEU 45 HB1 LEU 45 -5.177 2.286 -2.238 332 HB3 LEU 45 HB2 LEU 45 -5.567 4.004 -2.197 333 HG LEU 45 HG LEU 45 -2.970 3.020 -0.939 334 HD11 LEU 45 HD11 LEU 45 -2.981 1.966 -3.143 335 HD12 LEU 45 HD12 LEU 45 -1.820 3.304 -3.081 336 HD13 LEU 45 HD13 LEU 45 -3.390 3.509 -3.910 337 HD21 LEU 45 HD21 LEU 45 -2.125 5.178 -1.697 338 HD22 LEU 45 HD22 LEU 45 -3.625 5.449 -0.803 339 HD23 LEU 45 HD23 LEU 45 -3.635 5.489 -2.585 340 H HIS 46 H HIS 46 -4.141 3.725 1.691 341 HA HIS 46 HA HIS 46 -5.359 6.398 2.109 342 HB2 HIS 46 HB1 HIS 46 -4.048 4.411 3.977 343 HB3 HIS 46 HB2 HIS 46 -4.223 6.121 4.416 344 HD2 HIS 46 HD2 HIS 46 -7.277 4.346 2.790 345 HE1 HIS 46 HE1 HIS 46 -8.111 4.903 6.908 346 HE2 HIS 46 HE2 HIS 46 -9.018 4.029 4.694 347 H GLU 47 H GLU 47 -4.080 8.053 2.707 348 HA GLU 47 HA GLU 47 -1.139 7.803 2.284 349 HB2 GLU 47 HB1 GLU 47 -0.975 10.146 1.893 350 HB3 GLU 47 HB2 GLU 47 -2.079 9.406 0.710 351 HG2 GLU 47 HG1 GLU 47 -4.001 10.279 1.843 352 HG3 GLU 47 HG2 GLU 47 -3.033 10.814 3.233 353 H THR 48 H THR 48 -0.020 9.504 3.719 354 HA THR 48 HA THR 48 -1.162 9.812 6.424 355 HB THR 48 HB THR 48 1.374 8.237 5.842 356 HG1 THR 48 HG1 THR 48 -1.195 7.647 5.992 357 HG21 THR 48 HG21 THR 48 1.697 9.483 7.891 358 HG22 THR 48 HG22 THR 48 1.239 7.836 8.353 359 HG23 THR 48 HG23 THR 48 0.042 9.145 8.436 360 H PHE 49 H PHE 49 -0.774 11.795 6.953 361 HA PHE 49 HA PHE 49 1.406 13.355 5.633 362 HB2 PHE 49 HB1 PHE 49 -0.264 15.007 5.017 363 HB3 PHE 49 HB2 PHE 49 -0.701 13.432 4.339 364 HD1 PHE 49 HD1 PHE 49 -2.590 12.102 5.412 365 HD2 PHE 49 HD2 PHE 49 -1.767 16.195 6.461 366 HE1 PHE 49 HE1 PHE 49 -4.805 12.276 6.488 367 HE2 PHE 49 HE2 PHE 49 -4.002 16.382 7.493 368 HZ PHE 49 HZ PHE 49 -5.528 14.405 7.507 369 H MET 50 H MET 50 1.176 15.753 6.502 370 HA MET 50 HA MET 50 0.740 15.766 9.459 371 HB2 MET 50 HB1 MET 50 2.570 17.279 9.772 372 HB3 MET 50 HB2 MET 50 3.172 15.817 8.978 373 HG2 MET 50 HG1 MET 50 3.305 16.976 6.848 374 HG3 MET 50 HG2 MET 50 2.513 18.417 7.524 375 HE1 MET 50 HE1 MET 50 5.777 16.808 6.576 376 HE2 MET 50 HE2 MET 50 6.923 17.244 7.857 377 HE3 MET 50 HE3 MET 50 5.646 16.047 8.179 378 H ARG 51 H ARG 51 -0.142 17.647 10.346 379 HA ARG 51 HA ARG 51 -0.726 19.970 8.667 380 HB2 ARG 51 HB1 ARG 51 -3.132 19.962 9.052 381 HB3 ARG 51 HB2 ARG 51 -2.645 18.552 8.102 382 HG2 ARG 51 HG1 ARG 51 -3.047 17.067 9.891 383 HG3 ARG 51 HG2 ARG 51 -3.033 18.343 11.119 384 HD2 ARG 51 HD1 ARG 51 -5.180 18.080 8.986 385 HD3 ARG 51 HD2 ARG 51 -5.290 17.425 10.640 386 HE ARG 51 HE ARG 51 -4.615 20.239 10.648 387 HH11 ARG 51 HH12 ARG 51 -7.478 18.162 10.478 388 HH12 ARG 51 HH11 ARG 51 -8.490 19.425 11.113 389 HH21 ARG 51 HH22 ARG 51 -5.879 21.705 11.440 390 HH22 ARG 51 HH21 ARG 51 -7.604 21.472 11.626 391 H GLU 52 H GLU 52 -1.496 21.790 9.834 392 HA GLU 52 HA GLU 52 -0.992 21.876 12.719 393 HB2 GLU 52 HB1 GLU 52 -1.112 23.765 10.586 394 HB3 GLU 52 HB2 GLU 52 -2.418 24.188 11.720 395 HG2 GLU 52 HG1 GLU 52 -0.356 25.346 12.319 396 HG3 GLU 52 HG2 GLU 52 -0.842 24.192 13.578 397 H VAL 53 H VAL 53 -2.504 21.802 14.287 398 HA VAL 53 HA VAL 53 -5.380 21.374 13.542 399 HB VAL 53 HB VAL 53 -3.927 20.043 15.828 400 HG11 VAL 53 HG11 VAL 53 -5.999 18.661 15.941 401 HG12 VAL 53 HG12 VAL 53 -6.373 20.364 16.222 402 HG13 VAL 53 HG13 VAL 53 -6.723 19.633 14.642 403 HG21 VAL 53 HG21 VAL 53 -4.802 18.912 13.127 404 HG22 VAL 53 HG22 VAL 53 -3.126 19.092 13.691 405 HG23 VAL 53 HG23 VAL 53 -4.214 17.952 14.492 406 H GLU 54 H GLU 54 -4.273 21.609 16.758 407 HA GLU 54 HA GLU 54 -5.868 23.973 17.396 408 HB2 GLU 54 HB1 GLU 54 -5.714 21.989 18.807 409 HB3 GLU 54 HB2 GLU 54 -3.996 22.209 19.026 410 HG2 GLU 54 HG1 GLU 54 -5.737 24.508 19.839 411 HG3 GLU 54 HG2 GLU 54 -5.975 23.000 20.764 412 H GLY 55 H GLY 55 -4.003 24.694 15.435 413 HA2 GLY 55 HA3 GLY 55 -2.359 26.254 14.946 414 HA3 GLY 55 HA2 GLY 55 -2.317 26.711 16.664 415 H LYS 56 H LYS 56 -1.797 23.554 16.989 416 HA LYS 56 HA LYS 56 1.114 23.554 16.529 417 HB2 LYS 56 HB1 LYS 56 -0.400 21.446 18.032 418 HB3 LYS 56 HB2 LYS 56 1.207 22.097 18.329 419 HG2 LYS 56 HG1 LYS 56 -1.430 23.387 19.051 420 HG3 LYS 56 HG2 LYS 56 -0.327 22.567 20.175 421 HD2 LYS 56 HD1 LYS 56 1.143 24.352 20.241 422 HD3 LYS 56 HD2 LYS 56 0.688 24.950 18.626 423 HE2 LYS 56 HE1 LYS 56 -0.105 26.446 20.430 424 HE3 LYS 56 HE2 LYS 56 -1.425 25.762 19.432 425 HZ1 LYS 56 HZ1 LYS 56 -2.197 25.535 21.582 426 HZ2 LYS 56 HZ2 LYS 56 -0.751 24.995 22.216 427 HZ3 LYS 56 HZ3 LYS 56 -1.737 24.107 21.225 428 H LYS 57 H LYS 57 2.101 21.645 15.593 429 HA LYS 57 HA LYS 57 0.463 20.474 13.522 430 HB2 LYS 57 HB1 LYS 57 2.549 19.465 12.676 431 HB3 LYS 57 HB2 LYS 57 2.414 21.229 12.721 432 HG2 LYS 57 HG1 LYS 57 3.728 20.838 15.046 433 HG3 LYS 57 HG2 LYS 57 4.246 19.368 14.192 434 HD2 LYS 57 HD1 LYS 57 5.887 21.087 13.786 435 HD3 LYS 57 HD2 LYS 57 5.024 20.839 12.275 436 HE2 LYS 57 HE1 LYS 57 3.861 22.893 14.111 437 HE3 LYS 57 HE2 LYS 57 5.481 23.285 13.518 438 HZ1 LYS 57 HZ1 LYS 57 3.858 24.206 12.067 439 HZ2 LYS 57 HZ2 LYS 57 2.999 22.884 11.973 440 HZ3 LYS 57 HZ3 LYS 57 4.472 22.917 11.218 441 H VAL 58 H VAL 58 -0.103 18.430 13.134 442 HA VAL 58 HA VAL 58 0.710 16.191 14.903 443 HB VAL 58 HB VAL 58 -2.204 16.651 14.211 444 HG11 VAL 58 HG11 VAL 58 -0.828 14.835 16.247 445 HG12 VAL 58 HG12 VAL 58 -2.585 15.040 16.110 446 HG13 VAL 58 HG13 VAL 58 -1.691 14.318 14.784 447 HG21 VAL 58 HG21 VAL 58 -2.620 17.338 16.564 448 HG22 VAL 58 HG22 VAL 58 -0.870 17.386 16.853 449 HG23 VAL 58 HG23 VAL 58 -1.633 18.516 15.710 450 H MET 59 H MET 59 0.203 14.084 13.856 451 HA MET 59 HA MET 59 0.403 14.126 10.934 452 HB2 MET 59 HB1 MET 59 0.634 11.765 11.072 453 HB3 MET 59 HB2 MET 59 1.670 12.529 12.289 454 HG2 MET 59 HG1 MET 59 -0.487 12.101 13.828 455 HG3 MET 59 HG2 MET 59 -0.815 10.851 12.611 456 HE1 MET 59 HE1 MET 59 1.262 11.976 15.674 457 HE2 MET 59 HE2 MET 59 2.751 11.020 15.534 458 HE3 MET 59 HE3 MET 59 2.411 12.303 14.351 459 H GLY 60 H GLY 60 -1.056 12.560 9.682 460 HA2 GLY 60 HA3 GLY 60 -3.635 11.897 10.839 461 HA3 GLY 60 HA2 GLY 60 -3.742 13.050 9.489 462 H MET 61 H MET 61 -4.729 10.276 9.604 463 HA MET 61 HA MET 61 -3.380 9.247 7.142 464 HB2 MET 61 HB1 MET 61 -4.720 7.638 9.350 465 HB3 MET 61 HB2 MET 61 -4.123 6.995 7.795 466 HG2 MET 61 HG1 MET 61 -2.483 6.420 9.331 467 HG3 MET 61 HG2 MET 61 -1.818 7.810 8.492 468 HE1 MET 61 HE1 MET 61 -0.320 7.899 12.144 469 HE2 MET 61 HE2 MET 61 -0.824 6.428 11.282 470 HE3 MET 61 HE3 MET 61 0.036 7.718 10.415 471 H ARG 62 H ARG 62 -4.825 8.694 5.471 472 HA ARG 62 HA ARG 62 -7.668 8.581 5.918 473 HB2 ARG 62 HB1 ARG 62 -8.329 10.531 4.556 474 HB3 ARG 62 HB2 ARG 62 -7.567 10.945 6.113 475 HG2 ARG 62 HG1 ARG 62 -6.557 12.483 4.835 476 HG3 ARG 62 HG2 ARG 62 -5.393 11.191 4.573 477 HD2 ARG 62 HD1 ARG 62 -6.406 10.688 2.396 478 HD3 ARG 62 HD2 ARG 62 -7.686 11.875 2.697 479 HE ARG 62 HE ARG 62 -4.762 12.501 2.357 480 HH11 ARG 62 HH12 ARG 62 -8.041 13.755 2.123 481 HH12 ARG 62 HH11 ARG 62 -7.454 15.362 1.764 482 HH21 ARG 62 HH22 ARG 62 -4.104 14.312 1.769 483 HH22 ARG 62 HH21 ARG 62 -5.149 15.694 1.472 484 HA PRO 63 HA PRO 63 -7.299 6.454 2.006 485 HB2 PRO 63 HB1 PRO 63 -9.887 6.318 1.170 486 HB3 PRO 63 HB2 PRO 63 -9.211 5.262 2.433 487 HG2 PRO 63 HG1 PRO 63 -10.821 7.756 2.757 488 HG3 PRO 63 HG2 PRO 63 -10.939 6.244 3.696 489 HD2 PRO 63 HD1 PRO 63 -9.643 8.532 4.560 490 HD3 PRO 63 HD2 PRO 63 -9.138 6.902 5.066 491 H VAL 64 H VAL 64 -7.278 6.866 -0.181 492 HA VAL 64 HA VAL 64 -8.063 9.610 -1.096 493 HB VAL 64 HB VAL 64 -6.003 9.376 -2.675 494 HG11 VAL 64 HG11 VAL 64 -4.598 10.592 -1.083 495 HG12 VAL 64 HG12 VAL 64 -6.283 11.135 -1.023 496 HG13 VAL 64 HG13 VAL 64 -5.652 10.071 0.255 497 HG21 VAL 64 HG21 VAL 64 -4.036 8.265 -1.803 498 HG22 VAL 64 HG22 VAL 64 -4.926 7.676 -0.389 499 HG23 VAL 64 HG23 VAL 64 -5.338 7.075 -2.015 500 HA PRO 65 HA PRO 65 -9.957 7.426 -4.424 501 HB2 PRO 65 HB1 PRO 65 -9.750 9.109 -6.567 502 HB3 PRO 65 HB2 PRO 65 -10.804 9.449 -5.161 503 HG2 PRO 65 HG1 PRO 65 -7.989 10.467 -5.656 504 HG3 PRO 65 HG2 PRO 65 -9.447 11.424 -5.205 505 HD2 PRO 65 HD1 PRO 65 -7.657 10.613 -3.326 506 HD3 PRO 65 HD2 PRO 65 -9.413 10.576 -2.988 507 H PHE 66 H PHE 66 -6.550 8.391 -4.725 508 HA PHE 66 HA PHE 66 -5.757 5.962 -5.864 509 HB2 PHE 66 HB1 PHE 66 -4.984 6.641 -8.064 510 HB3 PHE 66 HB2 PHE 66 -6.740 6.641 -7.934 511 HD1 PHE 66 HD1 PHE 66 -3.723 8.779 -8.276 512 HD2 PHE 66 HD2 PHE 66 -8.031 8.649 -8.247 513 HE1 PHE 66 HE1 PHE 66 -3.792 11.005 -9.345 514 HE2 PHE 66 HE2 PHE 66 -8.101 10.897 -9.287 515 HZ PHE 66 HZ PHE 66 -5.979 12.078 -9.854 516 H LEU 67 H LEU 67 -3.514 5.928 -6.419 517 HA LEU 67 HA LEU 67 -1.878 8.345 -5.832 518 HB2 LEU 67 HB1 LEU 67 -1.507 5.492 -5.050 519 HB3 LEU 67 HB2 LEU 67 -0.096 6.196 -5.871 520 HG LEU 67 HG LEU 67 -1.378 7.170 -3.292 521 HD11 LEU 67 HD11 LEU 67 -0.018 5.112 -3.147 522 HD12 LEU 67 HD12 LEU 67 0.916 6.450 -2.460 523 HD13 LEU 67 HD13 LEU 67 1.291 5.876 -4.087 524 HD21 LEU 67 HD21 LEU 67 0.963 8.316 -4.911 525 HD22 LEU 67 HD22 LEU 67 0.678 8.679 -3.201 526 HD23 LEU 67 HD23 LEU 67 -0.514 9.174 -4.402 527 H GLU 68 H GLU 68 0.214 8.204 -7.300 528 HA GLU 68 HA GLU 68 0.060 6.366 -9.427 529 HB2 GLU 68 HB1 GLU 68 -0.280 7.510 -11.331 530 HB3 GLU 68 HB2 GLU 68 -1.562 8.090 -10.279 531 HG2 GLU 68 HG1 GLU 68 -0.299 10.228 -10.006 532 HG3 GLU 68 HG2 GLU 68 0.937 9.586 -11.120 533 H VAL 69 H VAL 69 1.776 6.475 -10.953 534 HA VAL 69 HA VAL 69 4.233 7.708 -9.846 535 HB VAL 69 HB VAL 69 4.242 4.970 -11.197 536 HG11 VAL 69 HG11 VAL 69 6.417 6.135 -10.957 537 HG12 VAL 69 HG12 VAL 69 6.161 6.263 -9.208 538 HG13 VAL 69 HG13 VAL 69 6.360 4.672 -9.972 539 HG21 VAL 69 HG21 VAL 69 3.891 5.404 -8.217 540 HG22 VAL 69 HG22 VAL 69 2.762 4.587 -9.325 541 HG23 VAL 69 HG23 VAL 69 4.339 3.871 -9.007 542 HA PRO 70 HA PRO 70 4.541 8.876 -14.193 543 HB2 PRO 70 HB1 PRO 70 6.923 10.196 -14.183 544 HB3 PRO 70 HB2 PRO 70 5.439 10.878 -13.451 545 HG2 PRO 70 HG1 PRO 70 7.684 9.374 -12.061 546 HG3 PRO 70 HG2 PRO 70 6.946 10.944 -11.579 547 HD2 PRO 70 HD1 PRO 70 6.170 8.557 -10.477 548 HD3 PRO 70 HD2 PRO 70 5.002 9.875 -10.776 549 HA PRO 71 HA PRO 71 6.992 5.678 -16.018 550 HB2 PRO 71 HB1 PRO 71 8.077 6.942 -18.248 551 HB3 PRO 71 HB2 PRO 71 6.439 6.242 -18.098 552 HG2 PRO 71 HG1 PRO 71 7.291 9.112 -17.878 553 HG3 PRO 71 HG2 PRO 71 5.781 8.432 -18.597 554 HD2 PRO 71 HD1 PRO 71 5.890 9.569 -16.104 555 HD3 PRO 71 HD2 PRO 71 4.764 8.257 -16.512 556 H LYS 72 H LYS 72 8.987 4.782 -15.925 557 HA LYS 72 HA LYS 72 11.100 4.415 -15.317 558 HB2 LYS 72 HB1 LYS 72 11.645 7.284 -16.128 559 HB3 LYS 72 HB2 LYS 72 12.857 6.004 -15.943 560 HG2 LYS 72 HG1 LYS 72 10.537 5.828 -17.903 561 HG3 LYS 72 HG2 LYS 72 12.115 6.548 -18.291 562 HD2 LYS 72 HD1 LYS 72 13.219 4.469 -18.176 563 HD3 LYS 72 HD2 LYS 72 11.931 3.731 -17.182 564 HE2 LYS 72 HE1 LYS 72 11.900 2.784 -19.397 565 HE3 LYS 72 HE2 LYS 72 10.414 3.698 -19.064 566 HZ1 LYS 72 HZ1 LYS 72 11.268 5.474 -20.458 567 HZ2 LYS 72 HZ2 LYS 72 11.201 4.134 -21.273 568 HZ3 LYS 72 HZ3 LYS 72 12.676 4.657 -20.739 569 H GLY 73 H GLY 73 9.202 6.282 -13.532 570 HA2 GLY 73 HA3 GLY 73 11.033 6.963 -11.367 571 HA3 GLY 73 HA2 GLY 73 9.286 7.281 -11.458 572 H ARG 74 H ARG 74 10.667 6.353 -9.406 573 HA ARG 74 HA ARG 74 9.281 3.789 -8.727 574 HB2 ARG 74 HB1 ARG 74 11.938 4.770 -7.586 575 HB3 ARG 74 HB2 ARG 74 10.965 3.435 -6.908 576 HG2 ARG 74 HG1 ARG 74 11.252 2.514 -9.416 577 HG3 ARG 74 HG2 ARG 74 12.724 3.493 -9.330 578 HD2 ARG 74 HD1 ARG 74 13.484 2.274 -7.355 579 HD3 ARG 74 HD2 ARG 74 11.903 1.446 -7.214 580 HE ARG 74 HE ARG 74 12.526 -0.102 -8.728 581 HH11 ARG 74 HH12 ARG 74 14.980 2.424 -9.025 582 HH12 ARG 74 HH11 ARG 74 15.818 1.540 -10.277 583 HH21 ARG 74 HH22 ARG 74 13.428 -0.983 -10.443 584 HH22 ARG 74 HH21 ARG 74 14.985 -0.462 -11.018 585 H VAL 75 H VAL 75 8.347 3.648 -6.719 586 HA VAL 75 HA VAL 75 8.747 5.781 -4.719 587 HB VAL 75 HB VAL 75 6.299 5.858 -4.172 588 HG11 VAL 75 HG11 VAL 75 6.890 6.966 -6.944 589 HG12 VAL 75 HG12 VAL 75 5.674 7.539 -5.792 590 HG13 VAL 75 HG13 VAL 75 7.394 7.718 -5.413 591 HG21 VAL 75 HG21 VAL 75 4.649 5.260 -5.918 592 HG22 VAL 75 HG22 VAL 75 5.956 4.589 -6.928 593 HG23 VAL 75 HG23 VAL 75 5.547 3.843 -5.364 594 H GLU 76 H GLU 76 8.024 5.093 -2.547 595 HA GLU 76 HA GLU 76 7.577 2.173 -2.192 596 HB2 GLU 76 HB1 GLU 76 9.949 2.964 -1.729 597 HB3 GLU 76 HB2 GLU 76 9.281 3.989 -0.450 598 HG2 GLU 76 HG1 GLU 76 8.176 1.622 0.268 599 HG3 GLU 76 HG2 GLU 76 9.602 1.018 -0.601 600 H LEU 77 H LEU 77 5.461 2.142 -1.584 601 HA LEU 77 HA LEU 77 4.104 4.273 -0.171 602 HB2 LEU 77 HB1 LEU 77 3.421 1.456 -1.035 603 HB3 LEU 77 HB2 LEU 77 2.365 2.344 0.107 604 HG LEU 77 HG LEU 77 2.086 4.126 -1.573 605 HD11 LEU 77 HD11 LEU 77 2.575 3.619 -3.972 606 HD12 LEU 77 HD12 LEU 77 3.519 2.207 -3.462 607 HD13 LEU 77 HD13 LEU 77 4.042 3.850 -3.019 608 HD21 LEU 77 HD21 LEU 77 1.242 1.384 -2.532 609 HD22 LEU 77 HD22 LEU 77 0.471 2.917 -2.915 610 HD23 LEU 77 HD23 LEU 77 0.437 2.324 -1.245 611 H LYS 78 H LYS 78 5.472 4.615 1.541 612 HA LYS 78 HA LYS 78 5.884 2.527 3.557 613 HB2 LYS 78 HB1 LYS 78 7.514 4.146 4.445 614 HB3 LYS 78 HB2 LYS 78 7.709 3.818 2.697 615 HG2 LYS 78 HG1 LYS 78 6.653 5.977 2.172 616 HG3 LYS 78 HG2 LYS 78 6.467 6.319 3.908 617 HD2 LYS 78 HD1 LYS 78 8.395 7.492 3.004 618 HD3 LYS 78 HD2 LYS 78 8.917 6.316 4.198 619 HE2 LYS 78 HE1 LYS 78 8.883 5.513 1.284 620 HE3 LYS 78 HE2 LYS 78 10.137 6.655 1.822 621 HZ1 LYS 78 HZ1 LYS 78 10.851 4.927 3.441 622 HZ2 LYS 78 HZ2 LYS 78 10.892 4.337 1.906 623 HZ3 LYS 78 HZ3 LYS 78 9.713 3.895 2.833 624 HA PRO 79 HA PRO 79 2.864 3.755 6.501 625 HB2 PRO 79 HB1 PRO 79 4.207 3.743 8.942 626 HB3 PRO 79 HB2 PRO 79 3.605 2.299 8.082 627 HG2 PRO 79 HG1 PRO 79 6.391 3.469 8.047 628 HG3 PRO 79 HG2 PRO 79 5.910 1.743 8.217 629 HD2 PRO 79 HD1 PRO 79 6.727 2.735 5.833 630 HD3 PRO 79 HD2 PRO 79 5.352 1.594 5.914 631 H GLY 80 H GLY 80 5.871 5.702 6.652 632 HA2 GLY 80 HA3 GLY 80 4.371 8.059 7.619 633 HA3 GLY 80 HA2 GLY 80 6.116 7.961 7.289 634 H GLY 81 H GLY 81 3.209 7.200 5.301 635 HA2 GLY 81 HA3 GLY 81 3.479 9.396 3.490 636 HA3 GLY 81 HA2 GLY 81 4.310 7.966 2.837 637 H TYR 82 H TYR 82 2.882 5.919 2.885 638 HA TYR 82 HA TYR 82 0.088 6.278 1.977 639 HB2 TYR 82 HB1 TYR 82 2.317 5.541 0.081 640 HB3 TYR 82 HB2 TYR 82 0.590 5.600 -0.287 641 HD1 TYR 82 HD1 TYR 82 -0.583 7.838 -0.346 642 HD2 TYR 82 HD2 TYR 82 3.693 7.488 0.074 643 HE1 TYR 82 HE1 TYR 82 -0.346 10.275 -0.790 644 HE2 TYR 82 HE2 TYR 82 3.948 9.911 -0.324 645 HH TYR 82 HH TYR 82 1.077 12.026 -0.840 646 H HIS 83 H HIS 83 -1.041 4.292 1.907 647 HA HIS 83 HA HIS 83 0.356 1.763 1.804 648 HB2 HIS 83 HB1 HIS 83 -0.111 1.034 4.109 649 HB3 HIS 83 HB2 HIS 83 1.017 2.383 4.104 650 HD1 HIS 83 HD1 HIS 83 0.012 4.779 5.094 651 HD2 HIS 83 HD2 HIS 83 -2.435 1.356 5.309 652 HE1 HIS 83 HE1 HIS 83 -1.897 5.341 6.680 653 H PHE 84 H PHE 84 -1.210 -0.103 2.504 654 HA PHE 84 HA PHE 84 -4.017 0.589 1.706 655 HB2 PHE 84 HB1 PHE 84 -2.430 -1.988 1.578 656 HB3 PHE 84 HB2 PHE 84 -4.202 -1.915 1.415 657 HD1 PHE 84 HD1 PHE 84 -5.008 -0.023 -0.368 658 HD2 PHE 84 HD2 PHE 84 -1.260 -2.155 -0.429 659 HE1 PHE 84 HE1 PHE 84 -4.889 0.238 -2.823 660 HE2 PHE 84 HE2 PHE 84 -1.111 -1.803 -2.882 661 HZ PHE 84 HZ PHE 84 -2.902 -0.544 -4.072 662 H MET 85 H MET 85 -5.617 0.336 3.082 663 HA MET 85 HA MET 85 -5.198 -1.035 5.705 664 HB2 MET 85 HB1 MET 85 -7.365 0.776 4.600 665 HB3 MET 85 HB2 MET 85 -7.517 -0.067 6.153 666 HG2 MET 85 HG1 MET 85 -5.098 1.646 5.659 667 HG3 MET 85 HG2 MET 85 -6.678 2.408 6.009 668 HE1 MET 85 HE1 MET 85 -4.657 -0.771 7.696 669 HE2 MET 85 HE2 MET 85 -3.615 0.620 7.265 670 HE3 MET 85 HE3 MET 85 -3.961 0.241 8.966 671 H LEU 86 H LEU 86 -5.778 -3.098 5.892 672 HA LEU 86 HA LEU 86 -7.489 -4.336 3.791 673 HB2 LEU 86 HB1 LEU 86 -5.660 -5.516 5.906 674 HB3 LEU 86 HB2 LEU 86 -6.713 -6.475 4.822 675 HG LEU 86 HG LEU 86 -4.559 -6.658 3.971 676 HD11 LEU 86 HD11 LEU 86 -6.316 -6.201 2.263 677 HD12 LEU 86 HD12 LEU 86 -4.691 -5.724 1.736 678 HD13 LEU 86 HD13 LEU 86 -5.846 -4.489 2.277 679 HD21 LEU 86 HD21 LEU 86 -3.016 -4.887 3.448 680 HD22 LEU 86 HD22 LEU 86 -3.483 -4.761 5.152 681 HD23 LEU 86 HD23 LEU 86 -4.167 -3.642 3.948 682 H LEU 87 H LEU 87 -9.576 -4.271 4.197 683 HA LEU 87 HA LEU 87 -10.577 -4.463 7.011 684 HB2 LEU 87 HB1 LEU 87 -11.580 -3.188 4.482 685 HB3 LEU 87 HB2 LEU 87 -12.746 -3.634 5.735 686 HG LEU 87 HG LEU 87 -12.169 -1.289 5.839 687 HD11 LEU 87 HD11 LEU 87 -11.643 -1.068 8.193 688 HD12 LEU 87 HD12 LEU 87 -10.976 -2.705 8.258 689 HD13 LEU 87 HD13 LEU 87 -12.714 -2.463 7.962 690 HD21 LEU 87 HD21 LEU 87 -9.984 -0.439 6.372 691 HD22 LEU 87 HD22 LEU 87 -9.858 -1.458 4.929 692 HD23 LEU 87 HD23 LEU 87 -9.307 -2.073 6.516 693 H GLY 88 H GLY 88 -9.938 -6.726 6.801 694 HA2 GLY 88 HA3 GLY 88 -11.512 -8.767 7.021 695 HA3 GLY 88 HA2 GLY 88 -11.856 -8.458 5.304 696 H LEU 89 H LEU 89 -9.919 -10.213 7.431 697 HA LEU 89 HA LEU 89 -7.778 -10.719 5.403 698 HB2 LEU 89 HB1 LEU 89 -7.875 -11.395 8.353 699 HB3 LEU 89 HB2 LEU 89 -6.554 -11.800 7.231 700 HG LEU 89 HG LEU 89 -7.394 -9.026 8.169 701 HD11 LEU 89 HD11 LEU 89 -6.078 -10.429 9.764 702 HD12 LEU 89 HD12 LEU 89 -5.186 -9.000 9.216 703 HD13 LEU 89 HD13 LEU 89 -4.808 -10.600 8.542 704 HD21 LEU 89 HD21 LEU 89 -5.423 -8.189 6.882 705 HD22 LEU 89 HD22 LEU 89 -6.688 -8.813 5.824 706 HD23 LEU 89 HD23 LEU 89 -5.239 -9.795 6.144 707 H LYS 90 H LYS 90 -7.261 -12.835 4.870 708 HA LYS 90 HA LYS 90 -9.334 -14.952 5.392 709 HB2 LYS 90 HB1 LYS 90 -7.755 -14.502 2.839 710 HB3 LYS 90 HB2 LYS 90 -9.024 -15.709 3.087 711 HG2 LYS 90 HG1 LYS 90 -9.415 -12.696 3.078 712 HG3 LYS 90 HG2 LYS 90 -9.739 -13.782 1.709 713 HD2 LYS 90 HD1 LYS 90 -11.579 -14.809 2.865 714 HD3 LYS 90 HD2 LYS 90 -11.145 -13.991 4.395 715 HE2 LYS 90 HE1 LYS 90 -13.008 -12.825 3.520 716 HE3 LYS 90 HE2 LYS 90 -11.586 -11.787 3.292 717 HZ1 LYS 90 HZ1 LYS 90 -12.743 -13.463 1.158 718 HZ2 LYS 90 HZ2 LYS 90 -11.590 -12.271 1.004 719 HZ3 LYS 90 HZ3 LYS 90 -13.157 -11.907 1.436 720 H ARG 91 H ARG 91 -5.891 -14.206 5.096 721 HA ARG 91 HA ARG 91 -5.392 -16.802 6.469 722 HB2 ARG 91 HB1 ARG 91 -3.481 -15.301 4.647 723 HB3 ARG 91 HB2 ARG 91 -3.013 -16.618 5.760 724 HG2 ARG 91 HG1 ARG 91 -4.756 -18.054 4.563 725 HG3 ARG 91 HG2 ARG 91 -4.834 -16.784 3.328 726 HD2 ARG 91 HD1 ARG 91 -2.394 -17.063 2.909 727 HD3 ARG 91 HD2 ARG 91 -2.333 -18.310 4.180 728 HE ARG 91 HE ARG 91 -4.301 -18.807 2.083 729 HH11 ARG 91 HH12 ARG 91 -0.881 -19.298 2.889 730 HH12 ARG 91 HH11 ARG 91 -0.729 -20.658 1.823 731 HH21 ARG 91 HH22 ARG 91 -4.076 -20.649 0.824 732 HH22 ARG 91 HH21 ARG 91 -2.529 -21.433 0.693 733 HA PRO 92 HA PRO 92 -3.769 -13.814 9.543 734 HB2 PRO 92 HB1 PRO 92 -2.929 -15.608 11.409 735 HB3 PRO 92 HB2 PRO 92 -4.638 -15.100 11.257 736 HG2 PRO 92 HG1 PRO 92 -3.323 -17.611 10.206 737 HG3 PRO 92 HG2 PRO 92 -4.918 -17.446 11.025 738 HD2 PRO 92 HD1 PRO 92 -4.576 -17.599 8.270 739 HD3 PRO 92 HD2 PRO 92 -5.942 -16.748 9.044 740 H LEU 93 H LEU 93 -1.820 -13.066 9.176 741 HA LEU 93 HA LEU 93 -0.315 -14.145 7.060 742 HB2 LEU 93 HB1 LEU 93 0.224 -11.880 9.017 743 HB3 LEU 93 HB2 LEU 93 1.245 -12.188 7.593 744 HG LEU 93 HG LEU 93 -0.086 -10.400 7.020 745 HD11 LEU 93 HD11 LEU 93 -1.580 -12.748 5.786 746 HD12 LEU 93 HD12 LEU 93 0.014 -12.157 5.256 747 HD13 LEU 93 HD13 LEU 93 -1.410 -11.111 5.134 748 HD21 LEU 93 HD21 LEU 93 -2.460 -10.151 7.264 749 HD22 LEU 93 HD22 LEU 93 -1.771 -10.580 8.840 750 HD23 LEU 93 HD23 LEU 93 -2.642 -11.798 7.879 751 H LYS 94 H LYS 94 1.230 -15.739 6.991 752 HA LYS 94 HA LYS 94 2.775 -16.285 9.473 753 HB2 LYS 94 HB1 LYS 94 2.592 -17.638 6.795 754 HB3 LYS 94 HB2 LYS 94 3.934 -17.989 7.903 755 HG2 LYS 94 HG1 LYS 94 2.026 -19.621 7.949 756 HG3 LYS 94 HG2 LYS 94 2.491 -18.940 9.523 757 HD2 LYS 94 HD1 LYS 94 0.601 -17.487 9.556 758 HD3 LYS 94 HD2 LYS 94 0.247 -17.807 7.833 759 HE2 LYS 94 HE1 LYS 94 -1.375 -18.953 9.183 760 HE3 LYS 94 HE2 LYS 94 -0.320 -20.127 8.374 761 HZ1 LYS 94 HZ1 LYS 94 0.912 -20.273 10.476 762 HZ2 LYS 94 HZ2 LYS 94 -0.667 -20.700 10.684 763 HZ3 LYS 94 HZ3 LYS 94 -0.135 -19.221 11.187 764 H ALA 95 H ALA 95 4.641 -15.570 9.876 765 HA ALA 95 HA ALA 95 6.431 -14.133 8.049 766 HB1 ALA 95 HB1 ALA 95 6.991 -15.762 10.577 767 HB2 ALA 95 HB2 ALA 95 8.159 -14.722 9.740 768 HB3 ALA 95 HB3 ALA 95 6.725 -14.002 10.504 769 H GLY 96 H GLY 96 7.304 -15.041 6.255 770 HA2 GLY 96 HA3 GLY 96 8.495 -16.775 5.079 771 HA3 GLY 96 HA2 GLY 96 7.723 -17.985 6.129 772 H GLU 97 H GLU 97 5.208 -15.929 5.336 773 HA GLU 97 HA GLU 97 4.652 -17.187 2.695 774 HB2 GLU 97 HB1 GLU 97 2.861 -15.657 4.597 775 HB3 GLU 97 HB2 GLU 97 2.460 -15.901 2.872 776 HG2 GLU 97 HG1 GLU 97 2.457 -18.278 3.119 777 HG3 GLU 97 HG2 GLU 97 3.026 -18.193 4.781 778 H GLU 98 H GLU 98 4.107 -15.889 1.047 779 HA GLU 98 HA GLU 98 5.217 -13.141 0.877 780 HB2 GLU 98 HB1 GLU 98 6.575 -14.832 -0.421 781 HB3 GLU 98 HB2 GLU 98 5.103 -15.229 -1.341 782 HG2 GLU 98 HG1 GLU 98 6.339 -13.751 -2.699 783 HG3 GLU 98 HG2 GLU 98 5.006 -12.798 -2.040 784 H VAL 99 H VAL 99 3.590 -11.776 0.408 785 HA VAL 99 HA VAL 99 0.854 -12.841 -0.078 786 HB VAL 99 HB VAL 99 1.809 -10.057 0.721 787 HG11 VAL 99 HG11 VAL 99 -0.280 -9.820 -0.578 788 HG12 VAL 99 HG12 VAL 99 -1.007 -11.154 0.348 789 HG13 VAL 99 HG13 VAL 99 -0.631 -9.607 1.133 790 HG21 VAL 99 HG21 VAL 99 0.657 -10.643 2.878 791 HG22 VAL 99 HG22 VAL 99 0.407 -12.287 2.267 792 HG23 VAL 99 HG23 VAL 99 2.050 -11.670 2.532 793 H GLU 100 H GLU 100 0.707 -13.314 -2.180 794 HA GLU 100 HA GLU 100 1.387 -11.588 -4.396 795 HB2 GLU 100 HB1 GLU 100 -0.914 -13.540 -4.059 796 HB3 GLU 100 HB2 GLU 100 -0.489 -12.679 -5.571 797 HG2 GLU 100 HG1 GLU 100 1.790 -13.855 -5.378 798 HG3 GLU 100 HG2 GLU 100 1.020 -14.914 -4.189 799 H LEU 101 H LEU 101 0.266 -9.938 -5.364 800 HA LEU 101 HA LEU 101 -2.418 -9.168 -4.524 801 HB2 LEU 101 HB1 LEU 101 -1.002 -8.367 -2.734 802 HB3 LEU 101 HB2 LEU 101 0.038 -7.507 -3.859 803 HG LEU 101 HG LEU 101 -2.864 -6.856 -3.329 804 HD11 LEU 101 HD11 LEU 101 -1.526 -6.598 -1.290 805 HD12 LEU 101 HD12 LEU 101 -2.016 -5.018 -1.919 806 HD13 LEU 101 HD13 LEU 101 -0.351 -5.588 -2.169 807 HD21 LEU 101 HD21 LEU 101 -1.739 -4.541 -4.233 808 HD22 LEU 101 HD22 LEU 101 -2.446 -5.754 -5.312 809 HD23 LEU 101 HD23 LEU 101 -0.685 -5.680 -5.065 810 H ASP 102 H ASP 102 -3.482 -8.200 -6.112 811 HA ASP 102 HA ASP 102 -2.163 -7.611 -8.708 812 HB2 ASP 102 HB1 ASP 102 -4.676 -8.716 -7.714 813 HB3 ASP 102 HB2 ASP 102 -4.980 -7.408 -8.859 814 H LEU 103 H LEU 103 -1.574 -5.564 -9.004 815 HA LEU 103 HA LEU 103 -2.635 -3.316 -7.468 816 HB2 LEU 103 HB1 LEU 103 -0.767 -3.514 -9.866 817 HB3 LEU 103 HB2 LEU 103 -1.054 -2.034 -8.949 818 HG LEU 103 HG LEU 103 0.251 -4.577 -7.903 819 HD11 LEU 103 HD11 LEU 103 1.394 -1.877 -8.723 820 HD12 LEU 103 HD12 LEU 103 1.656 -3.433 -9.532 821 HD13 LEU 103 HD13 LEU 103 2.315 -3.155 -7.906 822 HD21 LEU 103 HD21 LEU 103 0.028 -1.850 -6.546 823 HD22 LEU 103 HD22 LEU 103 0.839 -3.298 -5.914 824 HD23 LEU 103 HD23 LEU 103 -0.917 -3.281 -6.094 825 H LEU 104 H LEU 104 -4.478 -2.234 -7.970 826 HA LEU 104 HA LEU 104 -5.679 -2.579 -10.658 827 HB2 LEU 104 HB1 LEU 104 -6.722 -0.984 -8.301 828 HB3 LEU 104 HB2 LEU 104 -7.618 -1.508 -9.734 829 HG LEU 104 HG LEU 104 -6.630 -3.187 -7.459 830 HD11 LEU 104 HD11 LEU 104 -9.446 -2.575 -8.437 831 HD12 LEU 104 HD12 LEU 104 -8.665 -1.875 -7.004 832 HD13 LEU 104 HD13 LEU 104 -9.029 -3.607 -7.054 833 HD21 LEU 104 HD21 LEU 104 -7.795 -5.117 -8.546 834 HD22 LEU 104 HD22 LEU 104 -6.385 -4.559 -9.447 835 HD23 LEU 104 HD23 LEU 104 -8.019 -4.122 -10.005 836 H PHE 105 H PHE 105 -5.131 -1.211 -12.279 837 HA PHE 105 HA PHE 105 -4.262 1.529 -11.498 838 HB2 PHE 105 HB1 PHE 105 -3.455 -0.161 -13.855 839 HB3 PHE 105 HB2 PHE 105 -3.015 1.539 -13.665 840 HD1 PHE 105 HD1 PHE 105 -1.582 2.194 -11.651 841 HD2 PHE 105 HD2 PHE 105 -2.118 -1.876 -12.950 842 HE1 PHE 105 HE1 PHE 105 0.575 1.587 -10.600 843 HE2 PHE 105 HE2 PHE 105 0.058 -2.473 -11.938 844 HZ PHE 105 HZ PHE 105 1.404 -0.759 -10.759 845 H ALA 106 H ALA 106 -5.430 3.098 -12.108 846 HA ALA 106 HA ALA 106 -7.187 4.355 -12.975 847 HB1 ALA 106 HB1 ALA 106 -5.040 4.807 -14.134 848 HB2 ALA 106 HB2 ALA 106 -5.504 3.665 -15.414 849 HB3 ALA 106 HB3 ALA 106 -6.445 5.149 -15.159 850 H GLY 107 H GLY 107 -8.148 1.577 -12.918 851 HA2 GLY 107 HA3 GLY 107 -10.109 0.504 -13.585 852 HA3 GLY 107 HA2 GLY 107 -10.341 1.709 -14.871 853 H GLY 108 H GLY 108 -8.358 1.607 -16.514 854 HA2 GLY 108 HA3 GLY 108 -8.934 -0.743 -17.986 855 HA3 GLY 108 HA2 GLY 108 -7.812 0.552 -18.463 856 H LYS 109 H LYS 109 -6.561 -0.716 -15.591 857 HA LYS 109 HA LYS 109 -5.227 -3.036 -16.840 858 HB2 LYS 109 HB1 LYS 109 -4.091 -0.399 -16.074 859 HB3 LYS 109 HB2 LYS 109 -3.194 -1.777 -15.449 860 HG2 LYS 109 HG1 LYS 109 -3.940 -1.524 -18.375 861 HG3 LYS 109 HG2 LYS 109 -2.478 -0.757 -17.696 862 HD2 LYS 109 HD1 LYS 109 -1.665 -2.969 -16.963 863 HD3 LYS 109 HD2 LYS 109 -3.076 -3.753 -17.677 864 HE2 LYS 109 HE1 LYS 109 -1.120 -1.990 -19.227 865 HE3 LYS 109 HE2 LYS 109 -0.953 -3.749 -19.098 866 HZ1 LYS 109 HZ1 LYS 109 -3.287 -2.308 -20.250 867 HZ2 LYS 109 HZ2 LYS 109 -3.106 -3.937 -20.224 868 HZ3 LYS 109 HZ3 LYS 109 -2.099 -3.016 -21.140 869 H VAL 110 H VAL 110 -4.606 -4.618 -15.434 870 HA VAL 110 HA VAL 110 -4.192 -4.010 -12.658 871 HB VAL 110 HB VAL 110 -6.436 -4.761 -12.550 872 HG11 VAL 110 HG11 VAL 110 -7.228 -6.964 -13.279 873 HG12 VAL 110 HG12 VAL 110 -6.682 -5.979 -14.640 874 HG13 VAL 110 HG13 VAL 110 -5.653 -7.296 -14.028 875 HG21 VAL 110 HG21 VAL 110 -4.720 -7.123 -11.667 876 HG22 VAL 110 HG22 VAL 110 -4.833 -5.596 -10.778 877 HG23 VAL 110 HG23 VAL 110 -6.272 -6.610 -10.981 878 H LEU 111 H LEU 111 -2.490 -5.206 -11.788 879 HA LEU 111 HA LEU 111 -1.175 -7.295 -13.452 880 HB2 LEU 111 HB1 LEU 111 0.096 -4.672 -12.575 881 HB3 LEU 111 HB2 LEU 111 0.995 -6.043 -13.249 882 HG LEU 111 HG LEU 111 -1.125 -4.444 -14.753 883 HD11 LEU 111 HD11 LEU 111 0.768 -3.420 -15.951 884 HD12 LEU 111 HD12 LEU 111 1.911 -4.268 -14.886 885 HD13 LEU 111 HD13 LEU 111 0.813 -3.038 -14.223 886 HD21 LEU 111 HD21 LEU 111 0.943 -6.467 -15.748 887 HD22 LEU 111 HD22 LEU 111 -0.191 -5.545 -16.759 888 HD23 LEU 111 HD23 LEU 111 -0.799 -6.768 -15.634 889 H LYS 112 H LYS 112 -0.197 -8.852 -12.227 890 HA LYS 112 HA LYS 112 -0.452 -8.708 -9.363 891 HB2 LYS 112 HB1 LYS 112 -0.798 -10.789 -10.624 892 HB3 LYS 112 HB2 LYS 112 0.917 -10.806 -11.085 893 HG2 LYS 112 HG1 LYS 112 1.558 -10.932 -8.710 894 HG3 LYS 112 HG2 LYS 112 -0.135 -10.884 -8.211 895 HD2 LYS 112 HD1 LYS 112 1.062 -13.073 -9.954 896 HD3 LYS 112 HD2 LYS 112 0.975 -13.135 -8.170 897 HE2 LYS 112 HE1 LYS 112 -1.522 -12.870 -8.368 898 HE3 LYS 112 HE2 LYS 112 -1.365 -13.004 -10.123 899 HZ1 LYS 112 HZ1 LYS 112 -0.617 -15.030 -8.073 900 HZ2 LYS 112 HZ2 LYS 112 -0.273 -15.232 -9.632 901 HZ3 LYS 112 HZ3 LYS 112 -1.853 -15.174 -9.106 902 H VAL 113 H VAL 113 0.935 -8.168 -7.865 903 HA VAL 113 HA VAL 113 3.860 -8.494 -8.285 904 HB VAL 113 HB VAL 113 4.383 -6.713 -6.734 905 HG11 VAL 113 HG11 VAL 113 2.645 -5.643 -8.989 906 HG12 VAL 113 HG12 VAL 113 3.986 -4.809 -8.169 907 HG13 VAL 113 HG13 VAL 113 4.310 -6.239 -9.160 908 HG21 VAL 113 HG21 VAL 113 2.388 -6.635 -5.323 909 HG22 VAL 113 HG22 VAL 113 2.708 -5.038 -6.008 910 HG23 VAL 113 HG23 VAL 113 1.412 -6.049 -6.679 911 H VAL 114 H VAL 114 4.863 -8.553 -5.894 912 HA VAL 114 HA VAL 114 3.313 -10.256 -4.104 913 HB VAL 114 HB VAL 114 5.525 -11.495 -3.846 914 HG11 VAL 114 HG11 VAL 114 3.488 -12.592 -4.521 915 HG12 VAL 114 HG12 VAL 114 3.689 -12.019 -6.198 916 HG13 VAL 114 HG13 VAL 114 4.833 -13.190 -5.502 917 HG21 VAL 114 HG21 VAL 114 5.770 -10.649 -6.716 918 HG22 VAL 114 HG22 VAL 114 6.762 -10.013 -5.380 919 HG23 VAL 114 HG23 VAL 114 6.867 -11.738 -5.825 920 H LEU 115 H LEU 115 4.030 -10.115 -1.919 921 HA LEU 115 HA LEU 115 6.170 -8.178 -1.222 922 HB2 LEU 115 HB1 LEU 115 3.353 -8.146 -0.064 923 HB3 LEU 115 HB2 LEU 115 4.671 -7.080 0.428 924 HG LEU 115 HG LEU 115 3.412 -7.059 -2.355 925 HD11 LEU 115 HD11 LEU 115 1.722 -6.542 -0.655 926 HD12 LEU 115 HD12 LEU 115 2.140 -5.110 -1.606 927 HD13 LEU 115 HD13 LEU 115 2.782 -5.301 0.044 928 HD21 LEU 115 HD21 LEU 115 5.081 -4.957 -0.915 929 HD22 LEU 115 HD22 LEU 115 4.512 -4.916 -2.602 930 HD23 LEU 115 HD23 LEU 115 5.744 -6.083 -2.113 931 HA PRO 116 HA PRO 116 6.665 -11.508 1.829 932 HB2 PRO 116 HB1 PRO 116 8.688 -10.476 3.366 933 HB3 PRO 116 HB2 PRO 116 8.939 -11.177 1.738 934 HG2 PRO 116 HG1 PRO 116 8.583 -8.254 2.460 935 HG3 PRO 116 HG2 PRO 116 9.858 -8.993 1.424 936 HD2 PRO 116 HD1 PRO 116 7.657 -7.854 0.324 937 HD3 PRO 116 HD2 PRO 116 8.307 -9.391 -0.335 938 H VAL 117 H VAL 117 5.866 -11.984 3.842 939 HA VAL 117 HA VAL 117 4.580 -9.915 5.487 940 HB VAL 117 HB VAL 117 5.121 -12.887 5.885 941 HG11 VAL 117 HG11 VAL 117 3.475 -12.690 7.789 942 HG12 VAL 117 HG12 VAL 117 5.021 -11.905 8.084 943 HG13 VAL 117 HG13 VAL 117 3.602 -10.920 7.645 944 HG21 VAL 117 HG21 VAL 117 2.554 -11.342 5.256 945 HG22 VAL 117 HG22 VAL 117 3.428 -12.429 4.153 946 HG23 VAL 117 HG23 VAL 117 2.641 -13.086 5.587 947 H GLU 118 H GLU 118 5.472 -8.950 7.305 948 HA GLU 118 HA GLU 118 7.871 -10.184 8.536 949 HB2 GLU 118 HB1 GLU 118 8.407 -8.232 6.864 950 HB3 GLU 118 HB2 GLU 118 7.796 -7.197 8.161 951 HG2 GLU 118 HG1 GLU 118 9.472 -8.593 9.660 952 HG3 GLU 118 HG2 GLU 118 10.225 -9.025 8.116 953 H ALA 119 H ALA 119 8.162 -9.662 10.749 954 HA ALA 119 HA ALA 119 5.739 -9.125 12.284 955 HB1 ALA 119 HB1 ALA 119 8.606 -9.738 13.097 956 HB2 ALA 119 HB2 ALA 119 7.202 -9.705 14.179 957 HB3 ALA 119 HB3 ALA 119 7.296 -10.928 12.898 958 H ARG 120 H ARG 120 5.755 -6.900 11.063 959 HA ARG 120 HA ARG 120 7.779 -5.162 12.077 960 HB2 ARG 120 HB1 ARG 120 6.109 -5.166 9.667 961 HB3 ARG 120 HB2 ARG 120 6.567 -3.553 10.237 962 HG2 ARG 120 HG1 ARG 120 8.613 -5.758 10.042 963 HG3 ARG 120 HG2 ARG 120 8.156 -4.845 8.594 964 HD2 ARG 120 HD1 ARG 120 10.246 -4.030 9.636 965 HD3 ARG 120 HD2 ARG 120 8.975 -2.788 9.544 966 HE ARG 120 HE ARG 120 8.696 -2.888 11.895 967 HH11 ARG 120 HH12 ARG 120 10.966 -5.463 11.024 968 HH12 ARG 120 HH11 ARG 120 11.136 -5.877 12.682 969 HH21 ARG 120 HH22 ARG 120 8.720 -3.748 13.738 970 HH22 ARG 120 HH21 ARG 120 9.949 -4.878 14.234 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 12.299 -6.253 -13.061 2 H2 GLY 1 2H GLY 1 12.987 -7.161 -14.266 3 H3 GLY 1 3H GLY 1 12.425 -5.632 -14.568 4 HA2 GLY 1 HA3 GLY 1 14.697 -6.258 -12.800 5 HA3 GLY 1 HA2 GLY 1 14.819 -5.567 -14.434 6 H SER 2 H SER 2 14.578 -4.799 -11.163 7 HA SER 2 HA SER 2 12.976 -2.472 -10.834 8 HB2 SER 2 HB1 SER 2 10.832 -3.765 -10.472 9 HB3 SER 2 HB2 SER 2 11.276 -3.524 -12.177 10 HG SER 2 HG SER 2 11.320 -5.847 -10.584 11 H PHE 3 H PHE 3 12.472 -2.402 -8.556 12 HA PHE 3 HA PHE 3 13.788 -4.453 -6.837 13 HB2 PHE 3 HB1 PHE 3 14.621 -1.541 -7.056 14 HB3 PHE 3 HB2 PHE 3 15.261 -2.713 -5.890 15 HD1 PHE 3 HD2 PHE 3 16.557 -4.729 -6.761 16 HD2 PHE 3 HD1 PHE 3 15.532 -1.372 -9.259 17 HE1 PHE 3 HE2 PHE 3 18.287 -5.421 -8.401 18 HE2 PHE 3 HE1 PHE 3 17.261 -2.064 -10.902 19 HZ PHE 3 HZ PHE 3 18.645 -4.088 -10.474 20 H THR 4 H THR 4 11.090 -4.084 -6.904 21 HA THR 4 HA THR 4 10.148 -2.194 -4.950 22 HB THR 4 HB THR 4 8.064 -3.309 -5.058 23 HG1 THR 4 HG1 THR 4 8.962 -5.385 -5.287 24 HG21 THR 4 HG21 THR 4 9.218 -3.083 -7.882 25 HG22 THR 4 HG22 THR 4 8.681 -1.707 -6.896 26 HG23 THR 4 HG23 THR 4 7.511 -2.940 -7.410 27 H GLU 5 H GLU 5 11.358 -2.468 -3.188 28 HA GLU 5 HA GLU 5 11.319 -4.885 -1.533 29 HB2 GLU 5 HB1 GLU 5 12.607 -3.518 0.057 30 HB3 GLU 5 HB2 GLU 5 13.299 -3.535 -1.588 31 HG2 GLU 5 HG1 GLU 5 12.062 -1.294 -1.908 32 HG3 GLU 5 HG2 GLU 5 11.891 -1.270 -0.146 33 H GLY 6 H GLY 6 9.820 -5.398 0.088 34 HA2 GLY 6 HA3 GLY 6 8.337 -3.377 1.501 35 HA3 GLY 6 HA2 GLY 6 7.359 -4.138 0.226 36 H TRP 7 H TRP 7 6.609 -4.232 2.866 37 HA TRP 7 HA TRP 7 6.622 -7.094 3.385 38 HB2 TRP 7 HB1 TRP 7 7.202 -6.914 5.709 39 HB3 TRP 7 HB2 TRP 7 8.537 -6.342 4.729 40 HD1 TRP 7 HD TRP 7 6.420 -5.503 7.604 41 HE1 TRP 7 HE1 TRP 7 7.078 -3.248 8.613 42 HE3 TRP 7 3HE TRP 7 9.259 -3.696 3.749 43 HZ2 TRP 7 HZ2 TRP 7 8.464 -0.861 7.763 44 HZ3 TRP 7 HZ3 TRP 7 10.178 -1.400 3.844 45 HH2 TRP 7 HH TRP 7 9.791 0.030 5.840 46 H VAL 8 H VAL 8 4.869 -7.841 4.484 47 HA VAL 8 HA VAL 8 2.613 -5.949 4.944 48 HB VAL 8 HB VAL 8 2.685 -8.968 4.901 49 HG11 VAL 8 HG11 VAL 8 0.289 -7.097 5.133 50 HG12 VAL 8 HG12 VAL 8 0.215 -8.856 4.932 51 HG13 VAL 8 HG13 VAL 8 0.886 -8.180 6.415 52 HG21 VAL 8 HG21 VAL 8 3.009 -8.070 2.672 53 HG22 VAL 8 HG22 VAL 8 1.332 -8.601 2.786 54 HG23 VAL 8 HG23 VAL 8 1.712 -6.881 2.905 55 H ARG 9 H ARG 9 1.675 -5.631 6.939 56 HA ARG 9 HA ARG 9 3.688 -5.379 8.939 57 HB2 ARG 9 HB1 ARG 9 1.722 -3.918 8.045 58 HB3 ARG 9 HB2 ARG 9 0.757 -4.667 9.285 59 HG2 ARG 9 HG1 ARG 9 3.387 -3.271 9.892 60 HG3 ARG 9 HG2 ARG 9 1.871 -2.353 9.652 61 HD2 ARG 9 HD1 ARG 9 2.409 -4.352 11.852 62 HD3 ARG 9 HD2 ARG 9 2.370 -2.576 11.998 63 HE ARG 9 HE ARG 9 -0.055 -2.925 11.064 64 HH11 ARG 9 HH12 ARG 9 1.526 -4.720 13.671 65 HH12 ARG 9 HH11 ARG 9 0.056 -5.506 14.147 66 HH21 ARG 9 HH22 ARG 9 -1.954 -3.808 11.838 67 HH22 ARG 9 HH21 ARG 9 -1.896 -4.985 13.121 68 H PHE 10 H PHE 10 1.481 -7.871 8.532 69 HA PHE 10 HA PHE 10 0.750 -9.665 9.636 70 HB2 PHE 10 HB1 PHE 10 2.635 -10.351 10.637 71 HB3 PHE 10 HB2 PHE 10 2.871 -8.888 11.585 72 HD1 PHE 10 HD1 PHE 10 1.012 -12.100 11.440 73 HD2 PHE 10 HD2 PHE 10 2.014 -8.624 13.783 74 HE1 PHE 10 HE1 PHE 10 0.054 -13.181 13.471 75 HE2 PHE 10 HE2 PHE 10 1.094 -9.724 15.811 76 HZ PHE 10 HZ PHE 10 0.112 -12.006 15.651 77 H SER 11 H SER 11 -0.947 -10.307 10.869 78 HA SER 11 HA SER 11 -1.876 -8.942 13.149 79 HB2 SER 11 HB1 SER 11 -2.779 -7.367 11.419 80 HB3 SER 11 HB2 SER 11 -3.773 -8.714 10.807 81 HG SER 11 HG SER 11 -4.966 -7.573 12.247 82 HA PRO 12 HA PRO 12 -4.168 -12.923 13.081 83 HB2 PRO 12 HB1 PRO 12 -4.763 -13.152 15.686 84 HB3 PRO 12 HB2 PRO 12 -3.059 -13.247 15.149 85 HG2 PRO 12 HG1 PRO 12 -4.522 -10.853 16.297 86 HG3 PRO 12 HG2 PRO 12 -2.901 -11.488 16.758 87 HD2 PRO 12 HD1 PRO 12 -3.349 -9.413 14.931 88 HD3 PRO 12 HD2 PRO 12 -1.903 -10.455 14.933 89 H GLY 13 H GLY 13 -5.273 -9.712 13.729 90 HA2 GLY 13 HA3 GLY 13 -8.110 -10.511 14.134 91 HA3 GLY 13 HA2 GLY 13 -7.398 -8.931 14.532 92 HA PRO 14 HA PRO 14 -9.544 -9.426 10.329 93 HB2 PRO 14 HB1 PRO 14 -11.723 -7.768 10.577 94 HB3 PRO 14 HB2 PRO 14 -11.676 -9.462 11.150 95 HG2 PRO 14 HG1 PRO 14 -11.156 -6.945 12.760 96 HG3 PRO 14 HG2 PRO 14 -12.243 -8.320 13.174 97 HD2 PRO 14 HD1 PRO 14 -9.732 -8.177 14.188 98 HD3 PRO 14 HD2 PRO 14 -10.398 -9.741 13.638 99 H ASN 15 H ASN 15 -8.413 -6.463 11.889 100 HA ASN 15 HA ASN 15 -8.037 -5.196 9.244 101 HB2 ASN 15 HB1 ASN 15 -8.838 -3.714 10.904 102 HB3 ASN 15 HB2 ASN 15 -7.676 -4.271 12.111 103 HD21 ASN 15 HD21 ASN 15 -8.348 -2.008 9.671 104 HD22 ASN 15 HD22 ASN 15 -6.791 -1.175 9.716 105 H ALA 16 H ALA 16 -6.166 -5.026 8.358 106 HA ALA 16 HA ALA 16 -3.642 -5.345 9.817 107 HB1 ALA 16 HB1 ALA 16 -4.168 -6.964 7.269 108 HB2 ALA 16 HB2 ALA 16 -2.618 -6.870 8.127 109 HB3 ALA 16 HB3 ALA 16 -4.000 -7.636 8.897 110 H ALA 17 H ALA 17 -1.780 -4.948 8.105 111 HA ALA 17 HA ALA 17 -2.473 -2.740 6.272 112 HB1 ALA 17 HB1 ALA 17 -0.740 -1.313 7.235 113 HB2 ALA 17 HB2 ALA 17 -1.817 -1.797 8.561 114 HB3 ALA 17 HB3 ALA 17 -0.251 -2.584 8.372 115 H ALA 18 H ALA 18 -0.968 -2.474 4.614 116 HA ALA 18 HA ALA 18 1.443 -4.217 4.596 117 HB1 ALA 18 HB1 ALA 18 1.094 -4.637 2.184 118 HB2 ALA 18 HB2 ALA 18 -0.236 -5.299 3.163 119 HB3 ALA 18 HB3 ALA 18 -0.460 -3.788 2.258 120 H TYR 19 H TYR 19 3.257 -3.394 3.831 121 HA TYR 19 HA TYR 19 3.290 -0.635 2.676 122 HB2 TYR 19 HB1 TYR 19 5.591 -2.005 4.059 123 HB3 TYR 19 HB2 TYR 19 5.417 -0.298 3.685 124 HD1 TYR 19 HD1 TYR 19 3.196 0.801 4.962 125 HD2 TYR 19 HD2 TYR 19 5.404 -2.681 6.173 126 HE1 TYR 19 HE1 TYR 19 2.481 1.175 7.326 127 HE2 TYR 19 HE2 TYR 19 4.845 -2.267 8.529 128 HH TYR 19 HH TYR 19 2.820 0.534 9.549 129 H LEU 20 H LEU 20 4.633 -0.335 0.900 130 HA LEU 20 HA LEU 20 6.525 -2.243 -0.016 131 HB2 LEU 20 HB1 LEU 20 5.530 -2.924 -2.141 132 HB3 LEU 20 HB2 LEU 20 4.628 -3.540 -0.745 133 HG LEU 20 HG LEU 20 3.177 -1.289 -1.276 134 HD11 LEU 20 HD11 LEU 20 2.874 -1.061 -3.705 135 HD12 LEU 20 HD12 LEU 20 4.166 -2.240 -4.008 136 HD13 LEU 20 HD13 LEU 20 4.541 -0.671 -3.276 137 HD21 LEU 20 HD21 LEU 20 2.281 -3.555 -1.023 138 HD22 LEU 20 HD22 LEU 20 2.850 -3.982 -2.659 139 HD23 LEU 20 HD23 LEU 20 1.584 -2.761 -2.429 140 H THR 21 H THR 21 7.865 -1.562 -1.613 141 HA THR 21 HA THR 21 7.861 1.300 -2.218 142 HB THR 21 HB THR 21 9.686 -0.965 -3.052 143 HG1 THR 21 HG1 THR 21 9.844 -0.640 -0.935 144 HG21 THR 21 HG21 THR 21 11.293 0.779 -3.597 145 HG22 THR 21 HG22 THR 21 10.091 2.051 -3.257 146 HG23 THR 21 HG23 THR 21 9.878 0.944 -4.638 147 H LEU 22 H LEU 22 6.661 2.123 -3.828 148 HA LEU 22 HA LEU 22 6.036 0.500 -6.232 149 HB2 LEU 22 HB1 LEU 22 4.437 2.150 -4.875 150 HB3 LEU 22 HB2 LEU 22 5.161 3.308 -6.014 151 HG LEU 22 HG LEU 22 4.677 1.372 -7.801 152 HD11 LEU 22 HD11 LEU 22 2.614 0.098 -7.257 153 HD12 LEU 22 HD12 LEU 22 2.675 0.705 -5.588 154 HD13 LEU 22 HD13 LEU 22 3.957 -0.358 -6.197 155 HD21 LEU 22 HD21 LEU 22 3.753 3.507 -7.928 156 HD22 LEU 22 HD22 LEU 22 2.590 3.193 -6.613 157 HD23 LEU 22 HD23 LEU 22 2.447 2.335 -8.181 158 H GLU 23 H GLU 23 6.960 0.845 -8.156 159 HA GLU 23 HA GLU 23 8.822 3.116 -8.561 160 HB2 GLU 23 HB1 GLU 23 10.343 1.763 -9.776 161 HB3 GLU 23 HB2 GLU 23 10.152 1.048 -8.169 162 HG2 GLU 23 HG1 GLU 23 8.681 -0.685 -9.089 163 HG3 GLU 23 HG2 GLU 23 8.726 0.058 -10.694 164 H ASN 24 H ASN 24 9.105 3.568 -10.863 165 HA ASN 24 HA ASN 24 7.263 2.189 -12.718 166 HB2 ASN 24 HB1 ASN 24 6.113 4.292 -12.070 167 HB3 ASN 24 HB2 ASN 24 7.521 5.226 -12.603 168 HD21 ASN 24 HD21 ASN 24 5.505 6.078 -13.924 169 HD22 ASN 24 HD22 ASN 24 5.430 5.394 -15.551 170 HA PRO 25 HA PRO 25 11.379 2.639 -14.685 171 HB2 PRO 25 HB1 PRO 25 11.527 0.234 -15.935 172 HB3 PRO 25 HB2 PRO 25 11.728 0.361 -14.160 173 HG2 PRO 25 HG1 PRO 25 9.198 -0.334 -15.689 174 HG3 PRO 25 HG2 PRO 25 9.936 -1.238 -14.320 175 HD2 PRO 25 HD1 PRO 25 7.914 0.579 -13.969 176 HD3 PRO 25 HD2 PRO 25 9.226 0.372 -12.770 177 H GLY 26 H GLY 26 8.179 2.481 -15.934 178 HA2 GLY 26 HA3 GLY 26 8.889 2.464 -18.766 179 HA3 GLY 26 HA2 GLY 26 7.277 2.674 -18.046 180 H ASP 27 H ASP 27 8.515 4.126 -20.190 181 HA ASP 27 HA ASP 27 9.183 6.786 -19.277 182 HB2 ASP 27 HB1 ASP 27 8.784 5.594 -22.040 183 HB3 ASP 27 HB2 ASP 27 9.509 7.179 -21.689 184 H LEU 28 H LEU 28 6.276 5.480 -19.212 185 HA LEU 28 HA LEU 28 4.909 8.060 -19.696 186 HB2 LEU 28 HB1 LEU 28 2.895 6.909 -20.337 187 HB3 LEU 28 HB2 LEU 28 4.259 6.473 -21.401 188 HG LEU 28 HG LEU 28 4.411 4.300 -20.000 189 HD11 LEU 28 HD11 LEU 28 3.008 4.762 -18.081 190 HD12 LEU 28 HD12 LEU 28 2.132 3.606 -19.065 191 HD13 LEU 28 HD13 LEU 28 1.674 5.326 -19.107 192 HD21 LEU 28 HD21 LEU 28 3.559 4.420 -22.312 193 HD22 LEU 28 HD22 LEU 28 1.944 4.853 -21.708 194 HD23 LEU 28 HD23 LEU 28 2.635 3.251 -21.361 195 HA PRO 29 HA PRO 29 4.190 7.975 -15.459 196 HB2 PRO 29 HB1 PRO 29 1.866 9.322 -15.007 197 HB3 PRO 29 HB2 PRO 29 3.294 10.090 -15.763 198 HG2 PRO 29 HG1 PRO 29 0.852 8.945 -17.126 199 HG3 PRO 29 HG2 PRO 29 1.675 10.510 -17.450 200 HD2 PRO 29 HD1 PRO 29 2.089 8.206 -18.927 201 HD3 PRO 29 HD2 PRO 29 3.350 9.438 -18.720 202 H LEU 30 H LEU 30 2.897 7.209 -13.551 203 HA LEU 30 HA LEU 30 1.080 4.922 -14.189 204 HB2 LEU 30 HB1 LEU 30 3.696 4.885 -13.038 205 HB3 LEU 30 HB2 LEU 30 2.528 4.429 -11.782 206 HG LEU 30 HG LEU 30 1.621 2.703 -13.241 207 HD11 LEU 30 HD11 LEU 30 3.812 3.419 -15.215 208 HD12 LEU 30 HD12 LEU 30 2.062 3.505 -15.496 209 HD13 LEU 30 HD13 LEU 30 2.835 1.938 -15.255 210 HD21 LEU 30 HD21 LEU 30 4.633 2.474 -12.981 211 HD22 LEU 30 HD22 LEU 30 3.458 1.140 -13.020 212 HD23 LEU 30 HD23 LEU 30 3.487 2.263 -11.646 213 H ARG 31 H ARG 31 -0.718 4.961 -13.142 214 HA ARG 31 HA ARG 31 -1.060 6.511 -10.594 215 HB2 ARG 31 HB1 ARG 31 -2.246 7.645 -12.451 216 HB3 ARG 31 HB2 ARG 31 -3.151 6.141 -12.760 217 HG2 ARG 31 HG1 ARG 31 -4.217 6.255 -10.604 218 HG3 ARG 31 HG2 ARG 31 -3.205 7.609 -10.085 219 HD2 ARG 31 HD1 ARG 31 -5.170 7.767 -12.396 220 HD3 ARG 31 HD2 ARG 31 -5.552 8.208 -10.708 221 HE ARG 31 HE ARG 31 -3.192 9.605 -11.614 222 HH11 ARG 31 HH12 ARG 31 -6.691 9.780 -11.961 223 HH12 ARG 31 HH11 ARG 31 -6.648 11.506 -12.205 224 HH21 ARG 31 HH22 ARG 31 -3.205 11.729 -11.654 225 HH22 ARG 31 HH21 ARG 31 -4.639 12.633 -12.034 226 H LEU 32 H LEU 32 -1.347 5.180 -8.980 227 HA LEU 32 HA LEU 32 -2.251 2.368 -9.364 228 HB2 LEU 32 HB1 LEU 32 -0.068 2.800 -8.300 229 HB3 LEU 32 HB2 LEU 32 -0.857 3.840 -7.097 230 HG LEU 32 HG LEU 32 -2.223 1.672 -6.480 231 HD11 LEU 32 HD11 LEU 32 -1.346 0.371 -8.516 232 HD12 LEU 32 HD12 LEU 32 -1.125 -0.432 -6.952 233 HD13 LEU 32 HD13 LEU 32 0.238 0.381 -7.748 234 HD21 LEU 32 HD21 LEU 32 0.752 1.952 -5.922 235 HD22 LEU 32 HD22 LEU 32 -0.370 0.965 -4.966 236 HD23 LEU 32 HD23 LEU 32 -0.558 2.731 -5.019 237 H VAL 33 H VAL 33 -4.292 1.863 -8.741 238 HA VAL 33 HA VAL 33 -5.899 3.970 -7.323 239 HB VAL 33 HB VAL 33 -7.850 3.172 -8.581 240 HG11 VAL 33 HG11 VAL 33 -7.249 4.107 -10.750 241 HG12 VAL 33 HG12 VAL 33 -6.450 5.026 -9.465 242 HG13 VAL 33 HG13 VAL 33 -5.522 3.861 -10.430 243 HG21 VAL 33 HG21 VAL 33 -7.161 0.806 -8.999 244 HG22 VAL 33 HG22 VAL 33 -7.658 1.644 -10.476 245 HG23 VAL 33 HG23 VAL 33 -5.941 1.389 -10.153 246 H GLY 34 H GLY 34 -4.761 0.742 -6.956 247 HA2 GLY 34 HA3 GLY 34 -5.825 0.437 -4.396 248 HA3 GLY 34 HA2 GLY 34 -6.900 -0.427 -5.518 249 H ALA 35 H ALA 35 -6.212 -2.316 -4.344 250 HA ALA 35 HA ALA 35 -4.127 -3.719 -5.753 251 HB1 ALA 35 HB1 ALA 35 -2.652 -2.825 -4.145 252 HB2 ALA 35 HB2 ALA 35 -3.793 -3.059 -2.795 253 HB3 ALA 35 HB3 ALA 35 -3.014 -4.429 -3.568 254 H ARG 36 H ARG 36 -4.042 -6.126 -4.585 255 HA ARG 36 HA ARG 36 -6.566 -6.784 -3.221 256 HB2 ARG 36 HB1 ARG 36 -5.904 -8.241 -5.806 257 HB3 ARG 36 HB2 ARG 36 -7.202 -8.654 -4.659 258 HG2 ARG 36 HG1 ARG 36 -8.296 -6.478 -5.232 259 HG3 ARG 36 HG2 ARG 36 -7.078 -6.249 -6.500 260 HD2 ARG 36 HD1 ARG 36 -9.096 -8.521 -6.289 261 HD3 ARG 36 HD2 ARG 36 -9.110 -7.182 -7.456 262 HE ARG 36 HE ARG 36 -6.667 -8.822 -7.526 263 HH11 ARG 36 HH12 ARG 36 -9.924 -8.646 -8.922 264 HH12 ARG 36 HH11 ARG 36 -9.388 -9.426 -10.386 265 HH21 ARG 36 HH22 ARG 36 -6.098 -9.803 -9.279 266 HH22 ARG 36 HH21 ARG 36 -7.206 -10.113 -10.597 267 H THR 37 H THR 37 -6.350 -8.787 -2.071 268 HA THR 37 HA THR 37 -3.946 -10.427 -2.667 269 HB THR 37 HB THR 37 -3.054 -9.111 -1.064 270 HG1 THR 37 HG1 THR 37 -2.449 -11.051 -0.680 271 HG21 THR 37 HG21 THR 37 -3.899 -8.809 1.220 272 HG22 THR 37 HG22 THR 37 -5.398 -9.657 0.787 273 HG23 THR 37 HG23 THR 37 -5.004 -8.089 0.052 274 HA PRO 38 HA PRO 38 -7.174 -13.559 -1.843 275 HB2 PRO 38 HB1 PRO 38 -5.627 -15.731 -1.189 276 HB3 PRO 38 HB2 PRO 38 -5.856 -15.111 -2.860 277 HG2 PRO 38 HG1 PRO 38 -3.544 -14.536 -1.008 278 HG3 PRO 38 HG2 PRO 38 -3.484 -15.111 -2.716 279 HD2 PRO 38 HD1 PRO 38 -3.256 -12.475 -2.119 280 HD3 PRO 38 HD2 PRO 38 -4.202 -12.997 -3.535 281 H VAL 39 H VAL 39 -4.688 -12.521 0.374 282 HA VAL 39 HA VAL 39 -5.906 -13.899 2.653 283 HB VAL 39 HB VAL 39 -4.181 -13.263 4.014 284 HG11 VAL 39 HG11 VAL 39 -2.139 -13.755 2.845 285 HG12 VAL 39 HG12 VAL 39 -3.447 -14.676 2.074 286 HG13 VAL 39 HG13 VAL 39 -2.810 -13.214 1.298 287 HG21 VAL 39 HG21 VAL 39 -2.544 -11.432 3.606 288 HG22 VAL 39 HG22 VAL 39 -3.541 -10.877 2.258 289 HG23 VAL 39 HG23 VAL 39 -4.180 -10.847 3.906 290 H ALA 40 H ALA 40 -7.029 -11.178 1.105 291 HA ALA 40 HA ALA 40 -8.524 -10.369 3.473 292 HB1 ALA 40 HB1 ALA 40 -6.881 -8.259 2.025 293 HB2 ALA 40 HB2 ALA 40 -7.901 -8.036 3.455 294 HB3 ALA 40 HB3 ALA 40 -6.411 -8.989 3.582 295 H GLU 41 H GLU 41 -9.973 -8.427 2.921 296 HA GLU 41 HA GLU 41 -11.331 -9.027 0.343 297 HB2 GLU 41 HB1 GLU 41 -12.304 -9.815 2.554 298 HB3 GLU 41 HB2 GLU 41 -12.614 -8.128 2.959 299 HG2 GLU 41 HG1 GLU 41 -14.645 -9.024 2.066 300 HG3 GLU 41 HG2 GLU 41 -13.984 -7.989 0.796 301 H ARG 42 H ARG 42 -11.923 -6.308 2.660 302 HA ARG 42 HA ARG 42 -12.034 -4.517 0.320 303 HB2 ARG 42 HB1 ARG 42 -13.750 -4.371 2.097 304 HB3 ARG 42 HB2 ARG 42 -12.500 -3.877 3.242 305 HG2 ARG 42 HG1 ARG 42 -12.022 -2.114 1.224 306 HG3 ARG 42 HG2 ARG 42 -13.747 -2.368 0.954 307 HD2 ARG 42 HD1 ARG 42 -12.508 -1.536 3.613 308 HD3 ARG 42 HD2 ARG 42 -13.152 -0.403 2.393 309 HE ARG 42 HE ARG 42 -15.164 -2.297 3.049 310 HH11 ARG 42 HH12 ARG 42 -13.452 0.442 4.507 311 HH12 ARG 42 HH11 ARG 42 -14.790 0.922 5.489 312 HH21 ARG 42 HH22 ARG 42 -16.937 -1.580 4.329 313 HH22 ARG 42 HH21 ARG 42 -16.726 -0.216 5.389 314 H VAL 43 H VAL 43 -10.031 -4.283 -0.408 315 HA VAL 43 HA VAL 43 -7.801 -3.196 1.104 316 HB VAL 43 HB VAL 43 -7.615 -4.238 -1.167 317 HG11 VAL 43 HG11 VAL 43 -8.663 -1.575 -2.240 318 HG12 VAL 43 HG12 VAL 43 -8.027 -2.898 -3.185 319 HG13 VAL 43 HG13 VAL 43 -9.533 -3.128 -2.291 320 HG21 VAL 43 HG21 VAL 43 -5.788 -2.880 -0.179 321 HG22 VAL 43 HG22 VAL 43 -5.829 -2.827 -1.951 322 HG23 VAL 43 HG23 VAL 43 -6.417 -1.444 -1.022 323 H GLU 44 H GLU 44 -7.278 -1.048 1.573 324 HA GLU 44 HA GLU 44 -8.615 1.140 0.056 325 HB2 GLU 44 HB1 GLU 44 -8.268 1.083 3.079 326 HB3 GLU 44 HB2 GLU 44 -8.768 2.491 2.112 327 HG2 GLU 44 HG1 GLU 44 -10.837 1.350 1.484 328 HG3 GLU 44 HG2 GLU 44 -10.341 -0.098 2.392 329 H LEU 45 H LEU 45 -6.818 2.334 -0.905 330 HA LEU 45 HA LEU 45 -4.289 2.356 0.538 331 HB2 LEU 45 HB1 LEU 45 -4.545 2.144 -1.961 332 HB3 LEU 45 HB2 LEU 45 -5.076 3.823 -2.011 333 HG LEU 45 HG LEU 45 -2.493 3.106 -0.568 334 HD11 LEU 45 HD11 LEU 45 -1.280 3.429 -2.708 335 HD12 LEU 45 HD12 LEU 45 -2.863 3.374 -3.566 336 HD13 LEU 45 HD13 LEU 45 -2.268 1.970 -2.666 337 HD21 LEU 45 HD21 LEU 45 -3.283 5.436 -2.355 338 HD22 LEU 45 HD22 LEU 45 -1.762 5.281 -1.438 339 HD23 LEU 45 HD23 LEU 45 -3.283 5.475 -0.566 340 H HIS 46 H HIS 46 -3.793 3.700 2.022 341 HA HIS 46 HA HIS 46 -5.273 6.243 2.354 342 HB2 HIS 46 HB1 HIS 46 -3.875 4.402 4.295 343 HB3 HIS 46 HB2 HIS 46 -4.324 6.053 4.741 344 HD2 HIS 46 HD2 HIS 46 -7.024 4.057 2.820 345 HE1 HIS 46 HE1 HIS 46 -8.149 4.120 6.897 346 HE2 HIS 46 HE2 HIS 46 -8.866 3.405 4.559 347 H GLU 47 H GLU 47 -4.280 8.024 3.019 348 HA GLU 47 HA GLU 47 -1.410 8.536 2.407 349 HB2 GLU 47 HB1 GLU 47 -2.058 10.919 2.884 350 HB3 GLU 47 HB2 GLU 47 -2.882 10.224 1.471 351 HG2 GLU 47 HG1 GLU 47 -4.931 10.045 2.594 352 HG3 GLU 47 HG2 GLU 47 -4.198 10.167 4.201 353 H THR 48 H THR 48 -0.192 9.755 4.044 354 HA THR 48 HA THR 48 -1.250 9.902 6.779 355 HB THR 48 HB THR 48 1.274 8.345 6.114 356 HG1 THR 48 HG1 THR 48 -1.223 7.698 6.293 357 HG21 THR 48 HG21 THR 48 1.794 9.529 8.116 358 HG22 THR 48 HG22 THR 48 1.193 7.960 8.673 359 HG23 THR 48 HG23 THR 48 0.137 9.383 8.742 360 H PHE 49 H PHE 49 -0.692 11.794 7.630 361 HA PHE 49 HA PHE 49 1.268 13.505 6.158 362 HB2 PHE 49 HB1 PHE 49 -0.647 15.078 5.781 363 HB3 PHE 49 HB2 PHE 49 -0.785 13.541 4.907 364 HD1 PHE 49 HD2 PHE 49 -2.003 15.356 7.970 365 HD2 PHE 49 HD1 PHE 49 -2.629 12.070 5.279 366 HE1 PHE 49 HE2 PHE 49 -4.167 14.930 9.037 367 HE2 PHE 49 HE1 PHE 49 -4.799 11.634 6.324 368 HZ PHE 49 HZ PHE 49 -5.604 13.056 8.207 369 H MET 50 H MET 50 1.625 15.563 7.002 370 HA MET 50 HA MET 50 1.121 15.929 9.930 371 HB2 MET 50 HB1 MET 50 3.425 16.820 8.177 372 HB3 MET 50 HB2 MET 50 3.131 17.453 9.829 373 HG2 MET 50 HG1 MET 50 3.051 15.105 10.653 374 HG3 MET 50 HG2 MET 50 3.586 14.550 9.075 375 HE1 MET 50 HE1 MET 50 7.253 15.619 8.833 376 HE2 MET 50 HE2 MET 50 5.978 14.526 8.265 377 HE3 MET 50 HE3 MET 50 5.825 16.284 8.008 378 H ARG 51 H ARG 51 -0.976 16.578 9.069 379 HA ARG 51 HA ARG 51 -1.170 19.336 7.954 380 HB2 ARG 51 HB1 ARG 51 -3.270 17.273 8.657 381 HB3 ARG 51 HB2 ARG 51 -3.675 18.967 8.254 382 HG2 ARG 51 HG1 ARG 51 -2.576 18.749 6.084 383 HG3 ARG 51 HG2 ARG 51 -2.181 17.057 6.425 384 HD2 ARG 51 HD1 ARG 51 -4.661 16.610 6.678 385 HD3 ARG 51 HD2 ARG 51 -4.963 18.284 6.154 386 HE ARG 51 HE ARG 51 -3.790 17.674 4.022 387 HH11 ARG 51 HH12 ARG 51 -5.075 14.905 5.868 388 HH12 ARG 51 HH11 ARG 51 -5.164 13.947 4.419 389 HH21 ARG 51 HH22 ARG 51 -3.711 16.165 2.310 390 HH22 ARG 51 HH21 ARG 51 -4.190 14.531 2.671 391 H GLU 52 H GLU 52 -2.388 20.957 9.001 392 HA GLU 52 HA GLU 52 -2.330 21.112 11.969 393 HB2 GLU 52 HB1 GLU 52 -1.420 22.945 10.579 394 HB3 GLU 52 HB2 GLU 52 -2.985 23.216 9.865 395 HG2 GLU 52 HG1 GLU 52 -2.826 23.221 12.834 396 HG3 GLU 52 HG2 GLU 52 -2.056 24.566 11.951 397 H VAL 53 H VAL 53 -4.676 22.149 12.592 398 HA VAL 53 HA VAL 53 -6.824 20.496 11.842 399 HB VAL 53 HB VAL 53 -5.359 19.468 14.318 400 HG11 VAL 53 HG11 VAL 53 -7.102 17.686 14.376 401 HG12 VAL 53 HG12 VAL 53 -7.780 19.284 14.643 402 HG13 VAL 53 HG13 VAL 53 -7.963 18.504 13.055 403 HG21 VAL 53 HG21 VAL 53 -5.762 18.064 11.643 404 HG22 VAL 53 HG22 VAL 53 -4.212 18.517 12.402 405 HG23 VAL 53 HG23 VAL 53 -5.217 17.268 13.127 406 H GLU 54 H GLU 54 -5.138 22.005 14.387 407 HA GLU 54 HA GLU 54 -7.282 23.741 15.346 408 HB2 GLU 54 HB1 GLU 54 -7.551 21.451 16.373 409 HB3 GLU 54 HB2 GLU 54 -5.934 21.635 17.076 410 HG2 GLU 54 HG1 GLU 54 -6.899 23.716 18.264 411 HG3 GLU 54 HG2 GLU 54 -8.485 23.094 17.772 412 H GLY 55 H GLY 55 -5.010 24.381 13.960 413 HA2 GLY 55 HA3 GLY 55 -3.017 25.444 13.802 414 HA3 GLY 55 HA2 GLY 55 -3.175 25.930 15.505 415 H LYS 56 H LYS 56 -3.314 22.907 16.156 416 HA LYS 56 HA LYS 56 -0.451 22.459 16.440 417 HB2 LYS 56 HB1 LYS 56 -1.090 20.722 17.928 418 HB3 LYS 56 HB2 LYS 56 -2.101 22.139 18.265 419 HG2 LYS 56 HG1 LYS 56 -3.870 20.933 16.766 420 HG3 LYS 56 HG2 LYS 56 -2.863 19.488 16.986 421 HD2 LYS 56 HD1 LYS 56 -3.069 19.744 19.460 422 HD3 LYS 56 HD2 LYS 56 -4.084 21.194 19.198 423 HE2 LYS 56 HE1 LYS 56 -5.647 19.705 17.862 424 HE3 LYS 56 HE2 LYS 56 -4.754 18.307 18.432 425 HZ1 LYS 56 HZ1 LYS 56 -5.489 18.830 20.683 426 HZ2 LYS 56 HZ2 LYS 56 -6.822 19.176 19.709 427 HZ3 LYS 56 HZ3 LYS 56 -5.943 20.356 20.213 428 H LYS 57 H LYS 57 0.758 20.983 15.328 429 HA LYS 57 HA LYS 57 -0.520 19.913 12.897 430 HB2 LYS 57 HB1 LYS 57 2.410 20.043 13.639 431 HB3 LYS 57 HB2 LYS 57 1.725 19.495 12.088 432 HG2 LYS 57 HG1 LYS 57 0.534 21.830 12.072 433 HG3 LYS 57 HG2 LYS 57 1.715 22.281 13.325 434 HD2 LYS 57 HD1 LYS 57 2.610 23.034 11.244 435 HD3 LYS 57 HD2 LYS 57 3.542 21.595 11.687 436 HE2 LYS 57 HE1 LYS 57 2.096 20.223 10.194 437 HE3 LYS 57 HE2 LYS 57 1.127 21.656 9.801 438 HZ1 LYS 57 HZ1 LYS 57 3.995 21.276 9.177 439 HZ2 LYS 57 HZ2 LYS 57 3.102 22.602 8.774 440 HZ3 LYS 57 HZ3 LYS 57 2.755 21.131 8.109 441 H VAL 58 H VAL 58 -1.219 17.937 12.699 442 HA VAL 58 HA VAL 58 -0.485 15.877 14.754 443 HB VAL 58 HB VAL 58 -3.034 16.232 13.155 444 HG11 VAL 58 HG11 VAL 58 -3.984 14.515 14.731 445 HG12 VAL 58 HG12 VAL 58 -2.759 13.864 13.649 446 HG13 VAL 58 HG13 VAL 58 -2.340 14.221 15.342 447 HG21 VAL 58 HG21 VAL 58 -4.059 16.797 15.378 448 HG22 VAL 58 HG22 VAL 58 -2.440 16.756 16.108 449 HG23 VAL 58 HG23 VAL 58 -2.847 17.974 14.880 450 H MET 59 H MET 59 0.060 13.827 14.124 451 HA MET 59 HA MET 59 0.499 13.164 11.270 452 HB2 MET 59 HB1 MET 59 1.112 11.831 13.911 453 HB3 MET 59 HB2 MET 59 1.186 10.915 12.391 454 HG2 MET 59 HG1 MET 59 2.613 13.513 12.373 455 HG3 MET 59 HG2 MET 59 3.267 12.282 13.487 456 HE1 MET 59 HE1 MET 59 2.943 11.491 8.920 457 HE2 MET 59 HE2 MET 59 1.556 11.261 10.007 458 HE3 MET 59 HE3 MET 59 2.200 12.891 9.717 459 H GLY 60 H GLY 60 -1.460 12.962 10.297 460 HA2 GLY 60 HA3 GLY 60 -3.463 11.093 11.511 461 HA3 GLY 60 HA2 GLY 60 -3.905 12.522 10.550 462 H MET 61 H MET 61 -4.923 10.060 9.877 463 HA MET 61 HA MET 61 -3.659 9.460 7.247 464 HB2 MET 61 HB1 MET 61 -4.813 7.356 9.104 465 HB3 MET 61 HB2 MET 61 -3.944 7.113 7.567 466 HG2 MET 61 HG1 MET 61 -2.307 6.586 9.091 467 HG3 MET 61 HG2 MET 61 -1.965 8.290 8.807 468 HE1 MET 61 HE1 MET 61 -0.468 7.366 11.096 469 HE2 MET 61 HE2 MET 61 -0.751 9.110 10.845 470 HE3 MET 61 HE3 MET 61 -0.961 8.407 12.455 471 H ARG 62 H ARG 62 -5.128 8.625 5.666 472 HA ARG 62 HA ARG 62 -7.974 8.288 6.140 473 HB2 ARG 62 HB1 ARG 62 -7.127 10.510 4.239 474 HB3 ARG 62 HB2 ARG 62 -8.783 9.967 4.575 475 HG2 ARG 62 HG1 ARG 62 -8.514 10.841 6.910 476 HG3 ARG 62 HG2 ARG 62 -6.941 11.516 6.417 477 HD2 ARG 62 HD1 ARG 62 -8.390 13.322 6.182 478 HD3 ARG 62 HD2 ARG 62 -8.197 12.706 4.533 479 HE ARG 62 HE ARG 62 -10.456 12.213 4.509 480 HH11 ARG 62 HH12 ARG 62 -9.510 12.441 7.892 481 HH12 ARG 62 HH11 ARG 62 -11.138 12.326 8.487 482 HH21 ARG 62 HH22 ARG 62 -12.567 12.049 5.325 483 HH22 ARG 62 HH21 ARG 62 -12.852 12.094 7.038 484 HA PRO 63 HA PRO 63 -7.218 6.120 2.170 485 HB2 PRO 63 HB1 PRO 63 -9.751 5.840 1.188 486 HB3 PRO 63 HB2 PRO 63 -9.046 4.767 2.420 487 HG2 PRO 63 HG1 PRO 63 -10.879 7.087 2.807 488 HG3 PRO 63 HG2 PRO 63 -10.898 5.517 3.652 489 HD2 PRO 63 HD1 PRO 63 -9.852 7.849 4.717 490 HD3 PRO 63 HD2 PRO 63 -9.213 6.238 5.134 491 H VAL 64 H VAL 64 -6.883 6.713 0.109 492 HA VAL 64 HA VAL 64 -7.898 9.371 -0.846 493 HB VAL 64 HB VAL 64 -5.871 9.234 -2.436 494 HG11 VAL 64 HG11 VAL 64 -6.075 10.875 -0.637 495 HG12 VAL 64 HG12 VAL 64 -5.397 9.706 0.516 496 HG13 VAL 64 HG13 VAL 64 -4.397 10.330 -0.814 497 HG21 VAL 64 HG21 VAL 64 -4.722 7.402 -0.302 498 HG22 VAL 64 HG22 VAL 64 -5.220 6.875 -1.931 499 HG23 VAL 64 HG23 VAL 64 -3.904 8.044 -1.734 500 HA PRO 65 HA PRO 65 -9.677 7.140 -4.245 501 HB2 PRO 65 HB1 PRO 65 -9.631 8.925 -6.308 502 HB3 PRO 65 HB2 PRO 65 -10.668 9.137 -4.864 503 HG2 PRO 65 HG1 PRO 65 -7.929 10.345 -5.373 504 HG3 PRO 65 HG2 PRO 65 -9.432 11.196 -4.866 505 HD2 PRO 65 HD1 PRO 65 -7.563 10.419 -3.047 506 HD3 PRO 65 HD2 PRO 65 -9.309 10.280 -2.682 507 H PHE 66 H PHE 66 -6.288 8.103 -4.391 508 HA PHE 66 HA PHE 66 -5.445 5.860 -5.767 509 HB2 PHE 66 HB1 PHE 66 -4.625 6.803 -7.880 510 HB3 PHE 66 HB2 PHE 66 -6.377 6.682 -7.833 511 HD1 PHE 66 HD2 PHE 66 -3.480 8.995 -7.864 512 HD2 PHE 66 HD1 PHE 66 -7.776 8.675 -7.925 513 HE1 PHE 66 HE2 PHE 66 -3.641 11.360 -8.573 514 HE2 PHE 66 HE1 PHE 66 -7.939 11.058 -8.604 515 HZ PHE 66 HZ PHE 66 -5.866 12.406 -8.929 516 H LEU 67 H LEU 67 -3.173 5.987 -6.270 517 HA LEU 67 HA LEU 67 -1.683 8.349 -5.289 518 HB2 LEU 67 HB1 LEU 67 -1.316 5.546 -4.586 519 HB3 LEU 67 HB2 LEU 67 0.086 6.087 -5.526 520 HG LEU 67 HG LEU 67 -0.997 7.301 -2.956 521 HD11 LEU 67 HD11 LEU 67 0.286 5.155 -2.739 522 HD12 LEU 67 HD12 LEU 67 1.286 6.488 -2.141 523 HD13 LEU 67 HD13 LEU 67 1.591 5.821 -3.744 524 HD21 LEU 67 HD21 LEU 67 1.382 8.183 -4.698 525 HD22 LEU 67 HD22 LEU 67 1.127 8.708 -3.021 526 HD23 LEU 67 HD23 LEU 67 -0.034 9.167 -4.258 527 H GLU 68 H GLU 68 0.455 8.552 -6.634 528 HA GLU 68 HA GLU 68 0.566 7.173 -9.109 529 HB2 GLU 68 HB1 GLU 68 -0.084 8.593 -10.721 530 HB3 GLU 68 HB2 GLU 68 -1.374 8.771 -9.537 531 HG2 GLU 68 HG1 GLU 68 -0.308 10.942 -8.828 532 HG3 GLU 68 HG2 GLU 68 0.831 10.743 -10.178 533 H VAL 69 H VAL 69 2.153 7.941 -10.598 534 HA VAL 69 HA VAL 69 4.460 9.248 -9.301 535 HB VAL 69 HB VAL 69 4.737 6.520 -10.654 536 HG11 VAL 69 HG11 VAL 69 6.489 7.898 -8.571 537 HG12 VAL 69 HG12 VAL 69 6.810 6.328 -9.335 538 HG13 VAL 69 HG13 VAL 69 6.838 7.793 -10.307 539 HG21 VAL 69 HG21 VAL 69 4.864 5.443 -8.404 540 HG22 VAL 69 HG22 VAL 69 4.196 6.931 -7.702 541 HG23 VAL 69 HG23 VAL 69 3.240 5.970 -8.854 542 HA PRO 70 HA PRO 70 5.089 10.401 -13.652 543 HB2 PRO 70 HB1 PRO 70 7.674 11.313 -13.539 544 HB3 PRO 70 HB2 PRO 70 6.279 12.243 -12.914 545 HG2 PRO 70 HG1 PRO 70 8.162 10.442 -11.359 546 HG3 PRO 70 HG2 PRO 70 7.669 12.127 -10.961 547 HD2 PRO 70 HD1 PRO 70 6.440 9.982 -9.825 548 HD3 PRO 70 HD2 PRO 70 5.497 11.420 -10.314 549 HA PRO 71 HA PRO 71 7.423 6.961 -15.405 550 HB2 PRO 71 HB1 PRO 71 8.876 8.154 -17.431 551 HB3 PRO 71 HB2 PRO 71 7.153 7.660 -17.503 552 HG2 PRO 71 HG1 PRO 71 8.290 10.397 -17.058 553 HG3 PRO 71 HG2 PRO 71 6.831 9.902 -18.005 554 HD2 PRO 71 HD1 PRO 71 6.706 10.951 -15.467 555 HD3 PRO 71 HD2 PRO 71 5.518 9.785 -16.107 556 H LYS 72 H LYS 72 9.383 5.963 -15.262 557 HA LYS 72 HA LYS 72 11.461 5.443 -14.583 558 HB2 LYS 72 HB1 LYS 72 12.345 8.302 -14.657 559 HB3 LYS 72 HB2 LYS 72 13.264 6.836 -15.030 560 HG2 LYS 72 HG1 LYS 72 11.139 8.202 -16.695 561 HG3 LYS 72 HG2 LYS 72 12.860 8.072 -17.036 562 HD2 LYS 72 HD1 LYS 72 11.034 5.650 -16.912 563 HD3 LYS 72 HD2 LYS 72 11.209 6.653 -18.381 564 HE2 LYS 72 HE1 LYS 72 13.657 6.161 -18.364 565 HE3 LYS 72 HE2 LYS 72 13.399 5.077 -16.985 566 HZ1 LYS 72 HZ1 LYS 72 11.824 3.834 -18.435 567 HZ2 LYS 72 HZ2 LYS 72 13.336 3.834 -19.068 568 HZ3 LYS 72 HZ3 LYS 72 12.177 4.822 -19.687 569 H GLY 73 H GLY 73 9.484 7.120 -12.695 570 HA2 GLY 73 HA3 GLY 73 11.195 7.828 -10.471 571 HA3 GLY 73 HA2 GLY 73 9.432 8.029 -10.591 572 H ARG 74 H ARG 74 9.667 7.531 -8.417 573 HA ARG 74 HA ARG 74 8.917 4.904 -7.632 574 HB2 ARG 74 HB1 ARG 74 11.178 4.218 -7.721 575 HB3 ARG 74 HB2 ARG 74 11.774 5.784 -7.115 576 HG2 ARG 74 HG1 ARG 74 10.935 5.253 -4.880 577 HG3 ARG 74 HG2 ARG 74 10.331 3.689 -5.440 578 HD2 ARG 74 HD1 ARG 74 12.548 2.845 -5.780 579 HD3 ARG 74 HD2 ARG 74 13.263 4.475 -5.637 580 HE ARG 74 HE ARG 74 12.110 4.311 -3.246 581 HH11 ARG 74 HH12 ARG 74 14.064 1.607 -4.640 582 HH12 ARG 74 HH11 ARG 74 14.213 0.965 -2.995 583 HH21 ARG 74 HH22 ARG 74 12.456 3.382 -1.430 584 HH22 ARG 74 HH21 ARG 74 13.386 1.852 -1.331 585 H VAL 75 H VAL 75 8.024 4.819 -5.637 586 HA VAL 75 HA VAL 75 8.356 6.903 -3.623 587 HB VAL 75 HB VAL 75 5.915 7.306 -3.291 588 HG11 VAL 75 HG11 VAL 75 5.648 9.078 -4.889 589 HG12 VAL 75 HG12 VAL 75 7.356 8.994 -4.429 590 HG13 VAL 75 HG13 VAL 75 6.816 8.349 -6.000 591 HG21 VAL 75 HG21 VAL 75 4.366 7.029 -5.263 592 HG22 VAL 75 HG22 VAL 75 5.613 6.023 -6.041 593 HG23 VAL 75 HG23 VAL 75 4.848 5.505 -4.523 594 H GLU 76 H GLU 76 8.172 5.956 -1.595 595 HA GLU 76 HA GLU 76 7.302 3.140 -1.514 596 HB2 GLU 76 HB1 GLU 76 8.288 4.860 0.763 597 HB3 GLU 76 HB2 GLU 76 8.091 3.086 0.734 598 HG2 GLU 76 HG1 GLU 76 10.408 3.524 0.546 599 HG3 GLU 76 HG2 GLU 76 9.856 2.992 -1.045 600 H LEU 77 H LEU 77 5.419 2.356 -0.744 601 HA LEU 77 HA LEU 77 3.524 4.081 0.702 602 HB2 LEU 77 HB1 LEU 77 3.525 1.132 0.039 603 HB3 LEU 77 HB2 LEU 77 2.368 1.910 1.164 604 HG LEU 77 HG LEU 77 1.850 3.509 -0.826 605 HD11 LEU 77 HD11 LEU 77 2.034 2.433 -3.060 606 HD12 LEU 77 HD12 LEU 77 3.028 1.144 -2.352 607 HD13 LEU 77 HD13 LEU 77 3.621 2.819 -2.396 608 HD21 LEU 77 HD21 LEU 77 0.161 1.856 -1.670 609 HD22 LEU 77 HD22 LEU 77 0.226 1.998 0.090 610 HD23 LEU 77 HD23 LEU 77 0.981 0.601 -0.720 611 H LYS 78 H LYS 78 5.153 4.881 1.998 612 HA LYS 78 HA LYS 78 6.322 3.212 4.103 613 HB2 LYS 78 HB1 LYS 78 7.489 5.317 4.708 614 HB3 LYS 78 HB2 LYS 78 7.686 4.878 2.998 615 HG2 LYS 78 HG1 LYS 78 5.460 6.559 3.003 616 HG3 LYS 78 HG2 LYS 78 6.495 7.289 4.237 617 HD2 LYS 78 HD1 LYS 78 7.226 6.719 1.342 618 HD3 LYS 78 HD2 LYS 78 6.837 8.308 2.032 619 HE2 LYS 78 HE1 LYS 78 8.885 8.287 3.340 620 HE3 LYS 78 HE2 LYS 78 9.206 6.593 2.882 621 HZ1 LYS 78 HZ1 LYS 78 9.116 8.849 0.957 622 HZ2 LYS 78 HZ2 LYS 78 9.474 7.298 0.601 623 HZ3 LYS 78 HZ3 LYS 78 10.499 8.135 1.523 624 HA PRO 79 HA PRO 79 3.151 3.897 7.124 625 HB2 PRO 79 HB1 PRO 79 4.601 4.043 9.487 626 HB3 PRO 79 HB2 PRO 79 4.184 2.532 8.628 627 HG2 PRO 79 HG1 PRO 79 6.755 4.118 8.476 628 HG3 PRO 79 HG2 PRO 79 6.553 2.340 8.661 629 HD2 PRO 79 HD1 PRO 79 7.085 3.441 6.241 630 HD3 PRO 79 HD2 PRO 79 5.913 2.099 6.386 631 H GLY 80 H GLY 80 5.825 6.223 6.926 632 HA2 GLY 80 HA3 GLY 80 4.115 8.354 8.082 633 HA3 GLY 80 HA2 GLY 80 5.862 8.458 7.767 634 H GLY 81 H GLY 81 3.392 7.250 5.473 635 HA2 GLY 81 HA3 GLY 81 3.288 9.722 3.941 636 HA3 GLY 81 HA2 GLY 81 4.276 8.456 3.178 637 H TYR 82 H TYR 82 3.009 6.205 3.237 638 HA TYR 82 HA TYR 82 0.167 6.428 2.515 639 HB2 TYR 82 HB1 TYR 82 2.158 5.632 0.396 640 HB3 TYR 82 HB2 TYR 82 0.394 5.643 0.251 641 HD1 TYR 82 HD2 TYR 82 -0.831 7.881 0.400 642 HD2 TYR 82 HD1 TYR 82 3.442 7.560 -0.041 643 HE1 TYR 82 HE2 TYR 82 -0.722 10.302 -0.145 644 HE2 TYR 82 HE1 TYR 82 3.572 9.947 -0.659 645 HH TYR 82 HH TYR 82 2.384 11.889 -1.030 646 H HIS 83 H HIS 83 -0.907 4.370 2.402 647 HA HIS 83 HA HIS 83 0.673 1.913 2.602 648 HB2 HIS 83 HB1 HIS 83 -0.193 1.188 4.772 649 HB3 HIS 83 HB2 HIS 83 0.915 2.561 4.903 650 HD1 HIS 83 HD1 HIS 83 -0.211 4.936 5.623 651 HD2 HIS 83 HD2 HIS 83 -2.696 1.508 5.883 652 HE1 HIS 83 HE1 HIS 83 -2.184 5.546 7.096 653 H PHE 84 H PHE 84 -0.643 -0.029 2.695 654 HA PHE 84 HA PHE 84 -3.434 0.396 1.702 655 HB2 PHE 84 HB1 PHE 84 -1.533 -1.952 1.580 656 HB3 PHE 84 HB2 PHE 84 -3.286 -2.123 1.333 657 HD1 PHE 84 HD1 PHE 84 -4.255 -0.210 -0.395 658 HD2 PHE 84 HD2 PHE 84 -0.247 -1.813 -0.364 659 HE1 PHE 84 HE1 PHE 84 -4.097 0.107 -2.843 660 HE2 PHE 84 HE2 PHE 84 -0.055 -1.333 -2.798 661 HZ PHE 84 HZ PHE 84 -1.991 -0.421 -4.032 662 H MET 85 H MET 85 -4.928 0.317 3.147 663 HA MET 85 HA MET 85 -4.595 -1.187 5.684 664 HB2 MET 85 HB1 MET 85 -5.607 1.256 5.295 665 HB3 MET 85 HB2 MET 85 -7.079 0.324 4.937 666 HG2 MET 85 HG1 MET 85 -7.375 0.563 7.147 667 HG3 MET 85 HG2 MET 85 -6.423 -0.902 7.201 668 HE1 MET 85 HE1 MET 85 -4.300 -1.238 8.436 669 HE2 MET 85 HE2 MET 85 -3.411 -0.288 7.200 670 HE3 MET 85 HE3 MET 85 -3.191 0.060 8.923 671 H LEU 86 H LEU 86 -5.655 -3.071 6.073 672 HA LEU 86 HA LEU 86 -7.132 -4.312 3.771 673 HB2 LEU 86 HB1 LEU 86 -5.159 -5.556 5.731 674 HB3 LEU 86 HB2 LEU 86 -6.003 -6.413 4.428 675 HG LEU 86 HG LEU 86 -3.902 -4.218 4.087 676 HD11 LEU 86 HD11 LEU 86 -2.496 -6.064 3.233 677 HD12 LEU 86 HD12 LEU 86 -3.780 -7.227 3.622 678 HD13 LEU 86 HD13 LEU 86 -2.966 -6.324 4.922 679 HD21 LEU 86 HD21 LEU 86 -3.943 -4.855 1.677 680 HD22 LEU 86 HD22 LEU 86 -5.468 -4.138 2.198 681 HD23 LEU 86 HD23 LEU 86 -5.350 -5.900 1.987 682 H LEU 87 H LEU 87 -9.196 -4.280 4.390 683 HA LEU 87 HA LEU 87 -9.918 -4.945 7.211 684 HB2 LEU 87 HB1 LEU 87 -11.364 -3.442 5.006 685 HB3 LEU 87 HB2 LEU 87 -12.064 -3.815 6.591 686 HG LEU 87 HG LEU 87 -11.498 -1.558 6.652 687 HD11 LEU 87 HD11 LEU 87 -9.802 -1.327 8.373 688 HD12 LEU 87 HD12 LEU 87 -9.115 -2.912 7.973 689 HD13 LEU 87 HD13 LEU 87 -10.748 -2.799 8.674 690 HD21 LEU 87 HD21 LEU 87 -9.477 -0.496 5.979 691 HD22 LEU 87 HD22 LEU 87 -9.988 -1.532 4.636 692 HD23 LEU 87 HD23 LEU 87 -8.656 -2.036 5.705 693 H GLY 88 H GLY 88 -10.622 -6.873 7.575 694 HA2 GLY 88 HA3 GLY 88 -12.016 -8.776 7.406 695 HA3 GLY 88 HA2 GLY 88 -12.441 -8.325 5.739 696 H LEU 89 H LEU 89 -10.175 -10.076 7.778 697 HA LEU 89 HA LEU 89 -8.385 -10.658 5.492 698 HB2 LEU 89 HB1 LEU 89 -8.103 -11.550 8.350 699 HB3 LEU 89 HB2 LEU 89 -6.903 -11.662 7.039 700 HG LEU 89 HG LEU 89 -7.866 -9.190 8.485 701 HD11 LEU 89 HD11 LEU 89 -5.621 -9.012 9.242 702 HD12 LEU 89 HD12 LEU 89 -5.057 -10.307 8.153 703 HD13 LEU 89 HD13 LEU 89 -6.118 -10.683 9.530 704 HD21 LEU 89 HD21 LEU 89 -6.316 -7.863 7.089 705 HD22 LEU 89 HD22 LEU 89 -7.618 -8.534 6.116 706 HD23 LEU 89 HD23 LEU 89 -6.007 -9.287 6.066 707 H LYS 90 H LYS 90 -8.652 -12.404 4.261 708 HA LYS 90 HA LYS 90 -10.604 -14.487 4.902 709 HB2 LYS 90 HB1 LYS 90 -8.499 -14.415 2.710 710 HB3 LYS 90 HB2 LYS 90 -9.922 -15.480 2.803 711 HG2 LYS 90 HG1 LYS 90 -11.259 -13.210 2.863 712 HG3 LYS 90 HG2 LYS 90 -9.764 -12.520 2.198 713 HD2 LYS 90 HD1 LYS 90 -9.913 -13.923 0.230 714 HD3 LYS 90 HD2 LYS 90 -11.216 -14.905 0.985 715 HE2 LYS 90 HE1 LYS 90 -12.512 -13.604 -0.336 716 HE3 LYS 90 HE2 LYS 90 -12.466 -12.577 1.111 717 HZ1 LYS 90 HZ1 LYS 90 -12.106 -11.252 -0.741 718 HZ2 LYS 90 HZ2 LYS 90 -10.916 -12.201 -1.372 719 HZ3 LYS 90 HZ3 LYS 90 -10.661 -11.327 0.005 720 H ARG 91 H ARG 91 -7.364 -14.000 5.771 721 HA ARG 91 HA ARG 91 -7.441 -16.400 7.339 722 HB2 ARG 91 HB1 ARG 91 -5.265 -17.303 6.701 723 HB3 ARG 91 HB2 ARG 91 -6.414 -17.368 5.353 724 HG2 ARG 91 HG1 ARG 91 -5.330 -15.392 4.338 725 HG3 ARG 91 HG2 ARG 91 -4.204 -15.304 5.713 726 HD2 ARG 91 HD1 ARG 91 -3.694 -17.821 5.011 727 HD3 ARG 91 HD2 ARG 91 -4.314 -17.277 3.442 728 HE ARG 91 HE ARG 91 -2.329 -16.079 3.135 729 HH11 ARG 91 HH12 ARG 91 -2.621 -16.756 6.606 730 HH12 ARG 91 HH11 ARG 91 -0.964 -16.245 6.887 731 HH21 ARG 91 HH22 ARG 91 -0.133 -15.311 3.735 732 HH22 ARG 91 HH21 ARG 91 0.207 -15.333 5.440 733 HA PRO 92 HA PRO 92 -5.152 -13.416 9.899 734 HB2 PRO 92 HB1 PRO 92 -4.580 -14.974 12.050 735 HB3 PRO 92 HB2 PRO 92 -6.235 -14.373 11.723 736 HG2 PRO 92 HG1 PRO 92 -5.070 -17.086 11.047 737 HG3 PRO 92 HG2 PRO 92 -6.648 -16.719 11.831 738 HD2 PRO 92 HD1 PRO 92 -6.402 -17.231 9.139 739 HD3 PRO 92 HD2 PRO 92 -7.611 -16.081 9.786 740 H LEU 93 H LEU 93 -2.971 -12.982 10.235 741 HA LEU 93 HA LEU 93 -1.215 -14.587 8.513 742 HB2 LEU 93 HB1 LEU 93 -0.783 -11.867 9.774 743 HB3 LEU 93 HB2 LEU 93 0.174 -12.606 8.468 744 HG LEU 93 HG LEU 93 -2.733 -11.688 8.301 745 HD11 LEU 93 HD11 LEU 93 -1.152 -9.834 8.337 746 HD12 LEU 93 HD12 LEU 93 -1.825 -10.020 6.713 747 HD13 LEU 93 HD13 LEU 93 -0.180 -10.594 7.053 748 HD21 LEU 93 HD21 LEU 93 -2.560 -12.180 5.880 749 HD22 LEU 93 HD22 LEU 93 -2.440 -13.646 6.846 750 HD23 LEU 93 HD23 LEU 93 -0.968 -12.932 6.142 751 H LYS 94 H LYS 94 1.112 -14.772 9.045 752 HA LYS 94 HA LYS 94 1.826 -14.575 11.926 753 HB2 LYS 94 HB1 LYS 94 3.409 -16.448 10.206 754 HB3 LYS 94 HB2 LYS 94 3.337 -16.347 11.969 755 HG2 LYS 94 HG1 LYS 94 1.423 -17.708 10.083 756 HG3 LYS 94 HG2 LYS 94 2.500 -18.455 11.278 757 HD2 LYS 94 HD1 LYS 94 1.025 -18.181 12.957 758 HD3 LYS 94 HD2 LYS 94 0.526 -16.576 12.442 759 HE2 LYS 94 HE1 LYS 94 -0.347 -19.235 11.203 760 HE3 LYS 94 HE2 LYS 94 -1.325 -18.232 12.295 761 HZ1 LYS 94 HZ1 LYS 94 -1.934 -17.840 9.979 762 HZ2 LYS 94 HZ2 LYS 94 -0.398 -17.470 9.562 763 HZ3 LYS 94 HZ3 LYS 94 -1.242 -16.490 10.582 764 H ALA 95 H ALA 95 4.029 -13.898 12.233 765 HA ALA 95 HA ALA 95 5.231 -12.172 10.224 766 HB1 ALA 95 HB1 ALA 95 7.148 -12.178 11.751 767 HB2 ALA 95 HB2 ALA 95 5.662 -12.021 12.710 768 HB3 ALA 95 HB3 ALA 95 6.503 -13.581 12.626 769 H GLY 96 H GLY 96 6.529 -12.759 8.510 770 HA2 GLY 96 HA3 GLY 96 8.102 -13.980 7.358 771 HA3 GLY 96 HA2 GLY 96 7.946 -15.306 8.533 772 H GLU 97 H GLU 97 4.797 -14.587 7.369 773 HA GLU 97 HA GLU 97 4.829 -16.871 5.477 774 HB2 GLU 97 HB1 GLU 97 2.708 -14.855 6.282 775 HB3 GLU 97 HB2 GLU 97 2.437 -16.153 5.101 776 HG2 GLU 97 HG1 GLU 97 2.682 -17.848 6.790 777 HG3 GLU 97 HG2 GLU 97 3.180 -16.638 7.989 778 H GLU 98 H GLU 98 4.056 -16.555 3.265 779 HA GLU 98 HA GLU 98 4.833 -14.053 1.955 780 HB2 GLU 98 HB1 GLU 98 3.425 -16.458 0.765 781 HB3 GLU 98 HB2 GLU 98 4.270 -15.133 -0.091 782 HG2 GLU 98 HG1 GLU 98 5.869 -16.727 -0.239 783 HG3 GLU 98 HG2 GLU 98 6.360 -16.014 1.292 784 H VAL 99 H VAL 99 3.503 -12.701 0.819 785 HA VAL 99 HA VAL 99 0.555 -13.166 0.768 786 HB VAL 99 HB VAL 99 1.991 -10.559 1.396 787 HG11 VAL 99 HG11 VAL 99 0.423 -9.942 -0.423 788 HG12 VAL 99 HG12 VAL 99 -0.857 -10.878 0.377 789 HG13 VAL 99 HG13 VAL 99 -0.224 -9.403 1.126 790 HG21 VAL 99 HG21 VAL 99 -0.360 -12.066 2.647 791 HG22 VAL 99 HG22 VAL 99 1.286 -12.006 3.288 792 HG23 VAL 99 HG23 VAL 99 0.301 -10.540 3.250 793 H GLU 100 H GLU 100 0.091 -13.639 -1.156 794 HA GLU 100 HA GLU 100 1.284 -12.540 -3.597 795 HB2 GLU 100 HB1 GLU 100 -1.187 -14.167 -2.913 796 HB3 GLU 100 HB2 GLU 100 -0.957 -13.506 -4.544 797 HG2 GLU 100 HG1 GLU 100 1.093 -15.294 -3.185 798 HG3 GLU 100 HG2 GLU 100 -0.223 -15.908 -4.221 799 H LEU 101 H LEU 101 0.579 -10.798 -4.767 800 HA LEU 101 HA LEU 101 -1.778 -9.303 -3.857 801 HB2 LEU 101 HB1 LEU 101 0.864 -8.753 -2.947 802 HB3 LEU 101 HB2 LEU 101 0.399 -7.433 -4.045 803 HG LEU 101 HG LEU 101 -1.421 -8.256 -1.832 804 HD11 LEU 101 HD11 LEU 101 -0.446 -6.489 -0.485 805 HD12 LEU 101 HD12 LEU 101 0.805 -6.213 -1.742 806 HD13 LEU 101 HD13 LEU 101 0.748 -7.755 -0.836 807 HD21 LEU 101 HD21 LEU 101 -2.269 -5.994 -2.064 808 HD22 LEU 101 HD22 LEU 101 -2.162 -6.650 -3.705 809 HD23 LEU 101 HD23 LEU 101 -0.940 -5.526 -3.145 810 H ASP 102 H ASP 102 -2.790 -8.267 -5.369 811 HA ASP 102 HA ASP 102 -1.539 -7.680 -8.044 812 HB2 ASP 102 HB1 ASP 102 -4.359 -7.262 -7.013 813 HB3 ASP 102 HB2 ASP 102 -3.758 -6.732 -8.602 814 H LEU 103 H LEU 103 -0.580 -5.683 -8.260 815 HA LEU 103 HA LEU 103 -1.587 -3.319 -6.733 816 HB2 LEU 103 HB1 LEU 103 0.605 -3.711 -8.815 817 HB3 LEU 103 HB2 LEU 103 0.239 -2.164 -8.047 818 HG LEU 103 HG LEU 103 1.169 -4.661 -6.555 819 HD11 LEU 103 HD11 LEU 103 2.900 -3.894 -8.113 820 HD12 LEU 103 HD12 LEU 103 3.370 -3.537 -6.440 821 HD13 LEU 103 HD13 LEU 103 2.759 -2.241 -7.493 822 HD21 LEU 103 HD21 LEU 103 0.936 -1.745 -5.679 823 HD22 LEU 103 HD22 LEU 103 1.664 -3.062 -4.737 824 HD23 LEU 103 HD23 LEU 103 -0.063 -3.103 -5.102 825 H LEU 104 H LEU 104 -3.323 -2.203 -7.568 826 HA LEU 104 HA LEU 104 -4.172 -2.738 -10.372 827 HB2 LEU 104 HB1 LEU 104 -5.675 -1.212 -8.230 828 HB3 LEU 104 HB2 LEU 104 -6.315 -1.859 -9.748 829 HG LEU 104 HG LEU 104 -5.466 -3.376 -7.306 830 HD11 LEU 104 HD11 LEU 104 -8.206 -3.018 -8.571 831 HD12 LEU 104 HD12 LEU 104 -7.622 -2.221 -7.095 832 HD13 LEU 104 HD13 LEU 104 -7.847 -3.975 -7.117 833 HD21 LEU 104 HD21 LEU 104 -4.915 -4.750 -9.264 834 HD22 LEU 104 HD22 LEU 104 -6.526 -4.465 -9.957 835 HD23 LEU 104 HD23 LEU 104 -6.339 -5.430 -8.477 836 H PHE 105 H PHE 105 -4.091 -1.234 -11.950 837 HA PHE 105 HA PHE 105 -3.365 1.599 -11.238 838 HB2 PHE 105 HB1 PHE 105 -2.470 -0.258 -13.439 839 HB3 PHE 105 HB2 PHE 105 -2.183 1.463 -13.511 840 HD1 PHE 105 HD1 PHE 105 -0.634 2.504 -11.731 841 HD2 PHE 105 HD2 PHE 105 -1.135 -1.751 -12.160 842 HE1 PHE 105 HE1 PHE 105 1.432 2.142 -10.437 843 HE2 PHE 105 HE2 PHE 105 0.925 -2.120 -10.836 844 HZ PHE 105 HZ PHE 105 2.230 -0.176 -9.980 845 H ALA 106 H ALA 106 -4.015 3.242 -12.696 846 HA ALA 106 HA ALA 106 -6.760 3.173 -13.166 847 HB1 ALA 106 HB1 ALA 106 -5.471 5.208 -12.720 848 HB2 ALA 106 HB2 ALA 106 -4.711 5.102 -14.330 849 HB3 ALA 106 HB3 ALA 106 -6.458 5.397 -14.182 850 H GLY 107 H GLY 107 -7.949 2.147 -14.582 851 HA2 GLY 107 HA3 GLY 107 -8.846 1.592 -16.685 852 HA3 GLY 107 HA2 GLY 107 -7.362 2.166 -17.478 853 H GLY 108 H GLY 108 -7.086 0.260 -18.687 854 HA2 GLY 108 HA3 GLY 108 -7.115 -2.355 -17.471 855 HA3 GLY 108 HA2 GLY 108 -6.684 -1.954 -19.149 856 H LYS 109 H LYS 109 -5.136 -1.238 -15.880 857 HA LYS 109 HA LYS 109 -2.758 -2.770 -16.774 858 HB2 LYS 109 HB1 LYS 109 -3.044 0.026 -15.648 859 HB3 LYS 109 HB2 LYS 109 -1.617 -0.988 -15.289 860 HG2 LYS 109 HG1 LYS 109 -0.769 0.126 -17.043 861 HG3 LYS 109 HG2 LYS 109 -1.539 -1.194 -17.928 862 HD2 LYS 109 HD1 LYS 109 -2.197 0.748 -19.108 863 HD3 LYS 109 HD2 LYS 109 -3.601 0.428 -18.076 864 HE2 LYS 109 HE1 LYS 109 -2.545 2.031 -16.373 865 HE3 LYS 109 HE2 LYS 109 -1.343 2.432 -17.616 866 HZ1 LYS 109 HZ1 LYS 109 -3.018 4.042 -17.783 867 HZ2 LYS 109 HZ2 LYS 109 -4.234 2.976 -17.575 868 HZ3 LYS 109 HZ3 LYS 109 -3.404 3.008 -19.010 869 H VAL 110 H VAL 110 -2.084 -4.222 -15.237 870 HA VAL 110 HA VAL 110 -2.396 -3.686 -12.400 871 HB VAL 110 HB VAL 110 -4.479 -4.778 -12.880 872 HG11 VAL 110 HG11 VAL 110 -3.987 -5.925 -14.974 873 HG12 VAL 110 HG12 VAL 110 -2.951 -7.093 -14.120 874 HG13 VAL 110 HG13 VAL 110 -4.696 -7.035 -13.800 875 HG21 VAL 110 HG21 VAL 110 -3.332 -5.439 -10.755 876 HG22 VAL 110 HG22 VAL 110 -4.418 -6.690 -11.370 877 HG23 VAL 110 HG23 VAL 110 -2.666 -6.863 -11.576 878 H LEU 111 H LEU 111 -0.828 -4.780 -11.177 879 HA LEU 111 HA LEU 111 1.088 -6.569 -12.635 880 HB2 LEU 111 HB1 LEU 111 1.731 -4.315 -10.707 881 HB3 LEU 111 HB2 LEU 111 2.907 -5.509 -11.271 882 HG LEU 111 HG LEU 111 1.480 -3.444 -12.996 883 HD11 LEU 111 HD11 LEU 111 3.177 -2.498 -11.432 884 HD12 LEU 111 HD12 LEU 111 3.679 -2.360 -13.124 885 HD13 LEU 111 HD13 LEU 111 4.388 -3.616 -12.084 886 HD21 LEU 111 HD21 LEU 111 3.092 -4.116 -14.765 887 HD22 LEU 111 HD22 LEU 111 2.021 -5.452 -14.340 888 HD23 LEU 111 HD23 LEU 111 3.687 -5.427 -13.726 889 H LYS 112 H LYS 112 0.733 -8.508 -11.760 890 HA LYS 112 HA LYS 112 0.001 -8.854 -8.952 891 HB2 LYS 112 HB1 LYS 112 -0.768 -10.189 -11.005 892 HB3 LYS 112 HB2 LYS 112 0.749 -11.058 -10.897 893 HG2 LYS 112 HG1 LYS 112 -1.439 -10.856 -8.787 894 HG3 LYS 112 HG2 LYS 112 -1.085 -12.269 -9.799 895 HD2 LYS 112 HD1 LYS 112 0.614 -11.144 -7.549 896 HD3 LYS 112 HD2 LYS 112 -0.317 -12.662 -7.545 897 HE2 LYS 112 HE1 LYS 112 1.147 -13.613 -9.241 898 HE3 LYS 112 HE2 LYS 112 2.016 -12.080 -9.426 899 HZ1 LYS 112 HZ1 LYS 112 1.959 -13.820 -7.026 900 HZ2 LYS 112 HZ2 LYS 112 2.628 -12.363 -7.000 901 HZ3 LYS 112 HZ3 LYS 112 3.251 -13.550 -7.975 902 H VAL 113 H VAL 113 1.501 -8.532 -7.463 903 HA VAL 113 HA VAL 113 4.359 -9.351 -7.846 904 HB VAL 113 HB VAL 113 4.942 -7.703 -6.147 905 HG11 VAL 113 HG11 VAL 113 4.700 -5.701 -7.497 906 HG12 VAL 113 HG12 VAL 113 5.003 -7.094 -8.546 907 HG13 VAL 113 HG13 VAL 113 3.363 -6.422 -8.416 908 HG21 VAL 113 HG21 VAL 113 2.026 -6.807 -6.225 909 HG22 VAL 113 HG22 VAL 113 2.841 -7.591 -4.854 910 HG23 VAL 113 HG23 VAL 113 3.352 -5.983 -5.381 911 H VAL 114 H VAL 114 5.305 -9.494 -5.370 912 HA VAL 114 HA VAL 114 3.529 -10.969 -3.589 913 HB VAL 114 HB VAL 114 4.479 -12.706 -5.131 914 HG11 VAL 114 HG11 VAL 114 7.177 -12.099 -3.870 915 HG12 VAL 114 HG12 VAL 114 6.787 -13.398 -5.011 916 HG13 VAL 114 HG13 VAL 114 6.705 -11.713 -5.541 917 HG21 VAL 114 HG21 VAL 114 3.765 -13.285 -2.813 918 HG22 VAL 114 HG22 VAL 114 5.102 -14.301 -3.371 919 HG23 VAL 114 HG23 VAL 114 5.417 -12.979 -2.232 920 H LEU 115 H LEU 115 4.202 -10.825 -1.449 921 HA LEU 115 HA LEU 115 6.754 -9.405 -0.778 922 HB2 LEU 115 HB1 LEU 115 4.017 -8.825 0.408 923 HB3 LEU 115 HB2 LEU 115 5.540 -8.058 0.880 924 HG LEU 115 HG LEU 115 4.180 -7.737 -1.831 925 HD11 LEU 115 HD11 LEU 115 4.297 -5.842 0.556 926 HD12 LEU 115 HD12 LEU 115 2.883 -6.808 0.083 927 HD13 LEU 115 HD13 LEU 115 3.495 -5.565 -1.010 928 HD21 LEU 115 HD21 LEU 115 6.649 -7.346 -1.930 929 HD22 LEU 115 HD22 LEU 115 6.516 -6.218 -0.574 930 HD23 LEU 115 HD23 LEU 115 5.743 -5.840 -2.127 931 HA PRO 116 HA PRO 116 6.373 -12.315 2.774 932 HB2 PRO 116 HB1 PRO 116 8.279 -11.341 4.423 933 HB3 PRO 116 HB2 PRO 116 8.712 -12.179 2.903 934 HG2 PRO 116 HG1 PRO 116 8.495 -9.188 3.377 935 HG3 PRO 116 HG2 PRO 116 9.851 -10.088 2.610 936 HD2 PRO 116 HD1 PRO 116 7.858 -8.874 1.153 937 HD3 PRO 116 HD2 PRO 116 8.639 -10.392 0.622 938 H VAL 117 H VAL 117 5.384 -12.220 4.798 939 HA VAL 117 HA VAL 117 4.424 -9.677 5.921 940 HB VAL 117 HB VAL 117 4.179 -12.531 6.973 941 HG11 VAL 117 HG11 VAL 117 3.793 -10.869 8.656 942 HG12 VAL 117 HG12 VAL 117 2.736 -9.921 7.579 943 HG13 VAL 117 HG13 VAL 117 2.214 -11.505 8.196 944 HG21 VAL 117 HG21 VAL 117 2.073 -11.014 5.366 945 HG22 VAL 117 HG22 VAL 117 2.993 -12.412 4.776 946 HG23 VAL 117 HG23 VAL 117 1.875 -12.594 6.127 947 H GLU 118 H GLU 118 5.271 -8.858 7.798 948 HA GLU 118 HA GLU 118 7.637 -10.121 9.107 949 HB2 GLU 118 HB1 GLU 118 7.970 -8.068 7.500 950 HB3 GLU 118 HB2 GLU 118 7.300 -7.125 8.834 951 HG2 GLU 118 HG1 GLU 118 9.115 -8.003 10.309 952 HG3 GLU 118 HG2 GLU 118 9.776 -8.913 8.933 953 H ALA 119 H ALA 119 7.450 -7.746 11.121 954 HA ALA 119 HA ALA 119 4.700 -7.807 12.074 955 HB1 ALA 119 HB1 ALA 119 5.269 -8.629 14.350 956 HB2 ALA 119 HB2 ALA 119 5.429 -9.867 13.097 957 HB3 ALA 119 HB3 ALA 119 6.885 -9.082 13.763 958 H ARG 120 H ARG 120 4.273 -5.819 12.467 959 HA ARG 120 HA ARG 120 6.092 -3.939 13.879 960 HB2 ARG 120 HB1 ARG 120 5.259 -3.887 11.027 961 HB3 ARG 120 HB2 ARG 120 4.927 -2.363 11.865 962 HG2 ARG 120 HG1 ARG 120 7.075 -2.352 10.669 963 HG3 ARG 120 HG2 ARG 120 7.263 -2.063 12.408 964 HD2 ARG 120 HD1 ARG 120 8.240 -4.134 12.785 965 HD3 ARG 120 HD2 ARG 120 7.463 -4.867 11.345 966 HE ARG 120 HE ARG 120 9.311 -4.536 10.222 967 HH11 ARG 120 HH12 ARG 120 9.631 -2.288 12.844 968 HH12 ARG 120 HH11 ARG 120 11.351 -2.118 12.543 969 HH21 ARG 120 HH22 ARG 120 11.213 -4.432 9.968 970 HH22 ARG 120 HH21 ARG 120 12.291 -3.335 10.825 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 17.504 5.873 -3.739 2 H2 GLY 1 2H GLY 1 16.407 6.985 -4.292 3 H3 GLY 1 3H GLY 1 16.225 5.371 -4.627 4 HA2 GLY 1 HA3 GLY 1 16.049 6.604 -1.957 5 HA3 GLY 1 HA2 GLY 1 14.687 5.958 -2.902 6 H SER 2 H SER 2 14.282 4.325 -1.106 7 HA SER 2 HA SER 2 16.058 2.203 -0.554 8 HB2 SER 2 HB1 SER 2 13.157 1.669 -0.956 9 HB3 SER 2 HB2 SER 2 14.218 1.225 0.391 10 HG SER 2 HG SER 2 12.616 2.712 0.952 11 H PHE 3 H PHE 3 16.403 0.203 -1.574 12 HA PHE 3 HA PHE 3 15.075 -0.305 -4.193 13 HB2 PHE 3 HB1 PHE 3 17.989 -0.544 -3.491 14 HB3 PHE 3 HB2 PHE 3 17.262 -1.488 -4.814 15 HD1 PHE 3 HD1 PHE 3 16.233 -0.379 -6.774 16 HD2 PHE 3 HD2 PHE 3 18.407 1.840 -3.787 17 HE1 PHE 3 HE1 PHE 3 16.434 1.531 -8.342 18 HE2 PHE 3 HE2 PHE 3 18.627 3.740 -5.364 19 HZ PHE 3 HZ PHE 3 17.631 3.593 -7.646 20 H THR 4 H THR 4 14.285 -1.032 -1.541 21 HA THR 4 HA THR 4 14.686 -3.708 -0.795 22 HB THR 4 HB THR 4 12.011 -2.446 -0.360 23 HG1 THR 4 HG1 THR 4 12.643 -0.659 0.517 24 HG21 THR 4 HG21 THR 4 12.520 -2.890 2.003 25 HG22 THR 4 HG22 THR 4 14.177 -3.383 1.578 26 HG23 THR 4 HG23 THR 4 12.779 -4.343 1.037 27 H GLU 5 H GLU 5 12.909 -5.342 -0.758 28 HA GLU 5 HA GLU 5 11.102 -5.314 -3.138 29 HB2 GLU 5 HB1 GLU 5 12.023 -7.530 -1.296 30 HB3 GLU 5 HB2 GLU 5 10.511 -7.657 -2.229 31 HG2 GLU 5 HG1 GLU 5 11.753 -7.228 -4.317 32 HG3 GLU 5 HG2 GLU 5 13.269 -7.154 -3.413 33 H GLY 6 H GLY 6 8.905 -6.386 -2.268 34 HA2 GLY 6 HA3 GLY 6 7.890 -4.453 -0.271 35 HA3 GLY 6 HA2 GLY 6 6.918 -5.441 -1.386 36 H TRP 7 H TRP 7 6.117 -5.219 1.170 37 HA TRP 7 HA TRP 7 6.298 -7.962 2.141 38 HB2 TRP 7 HB1 TRP 7 7.017 -7.322 4.384 39 HB3 TRP 7 HB2 TRP 7 8.246 -6.877 3.196 40 HD1 TRP 7 HD TRP 7 5.770 -5.432 5.646 41 HE1 TRP 7 HE1 TRP 7 6.089 -2.911 5.913 42 HE3 TRP 7 3HE TRP 7 9.203 -4.643 1.929 43 HZ2 TRP 7 HZ2 TRP 7 7.494 -0.779 4.562 44 HZ3 TRP 7 HZ3 TRP 7 9.924 -2.345 1.370 45 HH2 TRP 7 HH TRP 7 9.074 -0.407 2.670 46 H VAL 8 H VAL 8 4.576 -8.496 3.562 47 HA VAL 8 HA VAL 8 2.432 -6.409 3.885 48 HB VAL 8 HB VAL 8 2.086 -9.369 3.329 49 HG11 VAL 8 HG11 VAL 8 -0.381 -8.734 3.197 50 HG12 VAL 8 HG12 VAL 8 0.286 -8.679 4.833 51 HG13 VAL 8 HG13 VAL 8 0.044 -7.185 3.906 52 HG21 VAL 8 HG21 VAL 8 2.699 -8.183 1.328 53 HG22 VAL 8 HG22 VAL 8 0.958 -8.433 1.259 54 HG23 VAL 8 HG23 VAL 8 1.603 -6.847 1.702 55 H ARG 9 H ARG 9 1.123 -6.462 5.818 56 HA ARG 9 HA ARG 9 3.195 -6.492 7.830 57 HB2 ARG 9 HB1 ARG 9 1.677 -4.593 7.018 58 HB3 ARG 9 HB2 ARG 9 0.447 -5.223 8.097 59 HG2 ARG 9 HG1 ARG 9 3.254 -4.665 9.060 60 HG3 ARG 9 HG2 ARG 9 2.051 -3.357 8.898 61 HD2 ARG 9 HD1 ARG 9 0.609 -4.437 10.535 62 HD3 ARG 9 HD2 ARG 9 1.765 -5.775 10.695 63 HE ARG 9 HE ARG 9 3.422 -3.760 11.175 64 HH11 ARG 9 HH12 ARG 9 0.169 -3.964 12.485 65 HH12 ARG 9 HH11 ARG 9 0.546 -2.815 13.759 66 HH21 ARG 9 HH22 ARG 9 3.881 -2.527 12.663 67 HH22 ARG 9 HH21 ARG 9 2.742 -1.972 13.895 68 H PHE 10 H PHE 10 3.449 -8.152 9.186 69 HA PHE 10 HA PHE 10 1.300 -9.732 10.294 70 HB2 PHE 10 HB1 PHE 10 3.447 -10.747 10.268 71 HB3 PHE 10 HB2 PHE 10 4.177 -9.364 11.107 72 HD1 PHE 10 HD2 PHE 10 0.943 -11.062 12.109 73 HD2 PHE 10 HD1 PHE 10 5.109 -10.414 13.005 74 HE1 PHE 10 HE2 PHE 10 0.609 -12.036 14.337 75 HE2 PHE 10 HE1 PHE 10 4.759 -11.368 15.261 76 HZ PHE 10 HZ PHE 10 2.490 -12.134 15.949 77 H SER 11 H SER 11 -0.315 -8.481 11.210 78 HA SER 11 HA SER 11 0.364 -8.176 14.023 79 HB2 SER 11 HB1 SER 11 -1.089 -6.090 14.129 80 HB3 SER 11 HB2 SER 11 0.540 -5.890 13.459 81 HG SER 11 HG SER 11 -1.809 -6.221 11.898 82 HA PRO 12 HA PRO 12 -3.573 -10.372 13.729 83 HB2 PRO 12 HB1 PRO 12 -3.855 -11.252 16.258 84 HB3 PRO 12 HB2 PRO 12 -2.497 -11.814 15.234 85 HG2 PRO 12 HG1 PRO 12 -2.465 -9.575 17.285 86 HG3 PRO 12 HG2 PRO 12 -1.320 -10.955 17.148 87 HD2 PRO 12 HD1 PRO 12 -0.815 -8.477 16.061 88 HD3 PRO 12 HD2 PRO 12 -0.250 -9.988 15.297 89 H GLY 13 H GLY 13 -4.446 -8.216 13.177 90 HA2 GLY 13 HA3 GLY 13 -6.239 -7.145 15.317 91 HA3 GLY 13 HA2 GLY 13 -5.548 -6.142 14.022 92 HA PRO 14 HA PRO 14 -9.706 -7.809 12.469 93 HB2 PRO 14 HB1 PRO 14 -11.212 -5.551 12.742 94 HB3 PRO 14 HB2 PRO 14 -11.100 -6.788 14.029 95 HG2 PRO 14 HG1 PRO 14 -9.563 -4.190 13.799 96 HG3 PRO 14 HG2 PRO 14 -10.409 -4.855 15.241 97 HD2 PRO 14 HD1 PRO 14 -7.701 -5.137 14.831 98 HD3 PRO 14 HD2 PRO 14 -8.678 -6.390 15.648 99 H ASN 15 H ASN 15 -7.892 -4.746 12.404 100 HA ASN 15 HA ASN 15 -7.705 -4.940 9.461 101 HB2 ASN 15 HB1 ASN 15 -7.154 -2.589 9.423 102 HB3 ASN 15 HB2 ASN 15 -8.731 -2.822 10.197 103 HD21 ASN 15 HD21 ASN 15 -6.393 -0.715 10.361 104 HD22 ASN 15 HD22 ASN 15 -6.288 -0.492 12.107 105 H ALA 16 H ALA 16 -5.644 -4.649 8.581 106 HA ALA 16 HA ALA 16 -3.247 -4.218 10.154 107 HB1 ALA 16 HB1 ALA 16 -2.046 -6.232 9.472 108 HB2 ALA 16 HB2 ALA 16 -3.520 -6.709 10.326 109 HB3 ALA 16 HB3 ALA 16 -3.460 -6.808 8.553 110 H ALA 17 H ALA 17 -1.527 -5.024 7.770 111 HA ALA 17 HA ALA 17 -2.513 -3.090 5.783 112 HB1 ALA 17 HB1 ALA 17 0.130 -2.685 7.245 113 HB2 ALA 17 HB2 ALA 17 -0.523 -1.671 5.947 114 HB3 ALA 17 HB3 ALA 17 -1.345 -1.735 7.515 115 H ALA 18 H ALA 18 -1.272 -2.990 3.802 116 HA ALA 18 HA ALA 18 0.876 -5.010 3.424 117 HB1 ALA 18 HB1 ALA 18 -1.408 -4.437 1.477 118 HB2 ALA 18 HB2 ALA 18 0.075 -5.286 1.040 119 HB3 ALA 18 HB3 ALA 18 -1.020 -5.974 2.245 120 H TYR 19 H TYR 19 2.542 -4.398 2.095 121 HA TYR 19 HA TYR 19 2.646 -1.636 1.033 122 HB2 TYR 19 HB1 TYR 19 4.936 -2.745 2.617 123 HB3 TYR 19 HB2 TYR 19 4.590 -1.071 2.207 124 HD1 TYR 19 HD2 TYR 19 2.869 0.204 3.608 125 HD2 TYR 19 HD1 TYR 19 4.088 -3.800 4.550 126 HE1 TYR 19 HE2 TYR 19 2.252 0.563 6.018 127 HE2 TYR 19 HE1 TYR 19 3.730 -3.363 6.968 128 HH TYR 19 HH TYR 19 3.402 -1.685 8.527 129 H LEU 20 H LEU 20 4.956 -1.411 -0.055 130 HA LEU 20 HA LEU 20 6.207 -3.587 -1.258 131 HB2 LEU 20 HB1 LEU 20 5.320 -3.477 -3.568 132 HB3 LEU 20 HB2 LEU 20 4.223 -4.203 -2.383 133 HG LEU 20 HG LEU 20 3.345 -1.588 -2.368 134 HD11 LEU 20 HD11 LEU 20 3.223 -0.781 -4.672 135 HD12 LEU 20 HD12 LEU 20 4.167 -2.171 -5.240 136 HD13 LEU 20 HD13 LEU 20 4.922 -0.943 -4.198 137 HD21 LEU 20 HD21 LEU 20 1.548 -2.398 -3.889 138 HD22 LEU 20 HD22 LEU 20 1.907 -3.522 -2.564 139 HD23 LEU 20 HD23 LEU 20 2.515 -3.860 -4.198 140 H THR 21 H THR 21 7.841 -3.106 -2.642 141 HA THR 21 HA THR 21 8.408 -0.231 -3.159 142 HB THR 21 HB THR 21 10.436 -2.465 -2.748 143 HG1 THR 21 HG1 THR 21 10.606 -0.847 -0.762 144 HG21 THR 21 HG21 THR 21 11.109 -0.403 -4.123 145 HG22 THR 21 HG22 THR 21 12.034 -0.619 -2.615 146 HG23 THR 21 HG23 THR 21 10.735 0.585 -2.718 147 H LEU 22 H LEU 22 8.420 0.252 -5.254 148 HA LEU 22 HA LEU 22 8.529 -1.815 -7.370 149 HB2 LEU 22 HB1 LEU 22 6.406 -2.128 -6.227 150 HB3 LEU 22 HB2 LEU 22 6.000 -0.420 -6.376 151 HG LEU 22 HG LEU 22 4.767 -2.077 -7.801 152 HD11 LEU 22 HD11 LEU 22 4.680 0.314 -8.248 153 HD12 LEU 22 HD12 LEU 22 4.561 -0.647 -9.733 154 HD13 LEU 22 HD13 LEU 22 6.071 0.185 -9.340 155 HD21 LEU 22 HD21 LEU 22 5.695 -2.925 -9.850 156 HD22 LEU 22 HD22 LEU 22 6.680 -3.483 -8.485 157 HD23 LEU 22 HD23 LEU 22 7.263 -2.171 -9.530 158 H GLU 23 H GLU 23 8.966 -0.994 -9.299 159 HA GLU 23 HA GLU 23 8.936 1.942 -9.714 160 HB2 GLU 23 HB1 GLU 23 10.515 1.450 -11.573 161 HB3 GLU 23 HB2 GLU 23 11.150 1.099 -9.962 162 HG2 GLU 23 HG1 GLU 23 9.911 -1.102 -11.635 163 HG3 GLU 23 HG2 GLU 23 11.596 -0.569 -11.906 164 H ASN 24 H ASN 24 8.139 2.919 -11.381 165 HA ASN 24 HA ASN 24 6.603 1.456 -13.457 166 HB2 ASN 24 HB1 ASN 24 5.736 3.583 -12.603 167 HB3 ASN 24 HB2 ASN 24 7.245 4.398 -13.055 168 HD21 ASN 24 HD21 ASN 24 5.639 5.756 -14.222 169 HD22 ASN 24 HD22 ASN 24 5.222 5.274 -15.868 170 HA PRO 25 HA PRO 25 10.630 1.551 -15.663 171 HB2 PRO 25 HB1 PRO 25 10.216 -0.502 -17.390 172 HB3 PRO 25 HB2 PRO 25 10.506 -0.800 -15.650 173 HG2 PRO 25 HG1 PRO 25 7.827 -0.618 -17.069 174 HG3 PRO 25 HG2 PRO 25 8.408 -1.935 -15.989 175 HD2 PRO 25 HD1 PRO 25 6.845 0.110 -15.073 176 HD3 PRO 25 HD2 PRO 25 8.156 -0.589 -14.078 177 H GLY 26 H GLY 26 7.427 2.307 -16.724 178 HA2 GLY 26 HA3 GLY 26 8.047 2.656 -19.547 179 HA3 GLY 26 HA2 GLY 26 6.535 3.058 -18.701 180 H ASP 27 H ASP 27 7.157 4.739 -20.497 181 HA ASP 27 HA ASP 27 8.654 7.054 -19.401 182 HB2 ASP 27 HB1 ASP 27 7.795 6.263 -22.201 183 HB3 ASP 27 HB2 ASP 27 8.674 7.756 -21.785 184 H LEU 28 H LEU 28 5.500 6.057 -19.514 185 HA LEU 28 HA LEU 28 4.512 8.836 -19.182 186 HB2 LEU 28 HB1 LEU 28 2.310 8.128 -19.846 187 HB3 LEU 28 HB2 LEU 28 3.508 7.788 -21.123 188 HG LEU 28 HG LEU 28 3.450 5.345 -20.256 189 HD11 LEU 28 HD11 LEU 28 1.176 4.735 -19.261 190 HD12 LEU 28 HD12 LEU 28 0.957 6.460 -18.884 191 HD13 LEU 28 HD13 LEU 28 2.270 5.526 -18.142 192 HD21 LEU 28 HD21 LEU 28 1.448 4.872 -21.625 193 HD22 LEU 28 HD22 LEU 28 2.466 6.104 -22.384 194 HD23 LEU 28 HD23 LEU 28 0.977 6.585 -21.538 195 HA PRO 29 HA PRO 29 4.050 7.728 -15.030 196 HB2 PRO 29 HB1 PRO 29 2.064 9.285 -14.027 197 HB3 PRO 29 HB2 PRO 29 3.561 9.970 -14.720 198 HG2 PRO 29 HG1 PRO 29 0.865 9.651 -16.045 199 HG3 PRO 29 HG2 PRO 29 1.956 11.080 -16.074 200 HD2 PRO 29 HD1 PRO 29 1.812 9.175 -18.091 201 HD3 PRO 29 HD2 PRO 29 3.283 10.110 -17.754 202 H LEU 30 H LEU 30 2.890 6.523 -13.395 203 HA LEU 30 HA LEU 30 0.488 4.989 -14.288 204 HB2 LEU 30 HB1 LEU 30 2.316 4.438 -11.973 205 HB3 LEU 30 HB2 LEU 30 0.907 3.479 -12.470 206 HG LEU 30 HG LEU 30 3.443 3.914 -13.996 207 HD11 LEU 30 HD11 LEU 30 2.215 1.443 -12.749 208 HD12 LEU 30 HD12 LEU 30 3.567 2.374 -12.059 209 HD13 LEU 30 HD13 LEU 30 3.788 1.495 -13.590 210 HD21 LEU 30 HD21 LEU 30 1.707 3.714 -15.675 211 HD22 LEU 30 HD22 LEU 30 1.030 2.283 -14.849 212 HD23 LEU 30 HD23 LEU 30 2.636 2.219 -15.619 213 H ARG 31 H ARG 31 -1.143 4.686 -12.806 214 HA ARG 31 HA ARG 31 -1.507 6.596 -10.556 215 HB2 ARG 31 HB1 ARG 31 -2.357 7.725 -12.563 216 HB3 ARG 31 HB2 ARG 31 -3.462 6.368 -12.857 217 HG2 ARG 31 HG1 ARG 31 -4.691 6.861 -10.820 218 HG3 ARG 31 HG2 ARG 31 -3.469 8.054 -10.308 219 HD2 ARG 31 HD1 ARG 31 -5.526 9.113 -11.230 220 HD3 ARG 31 HD2 ARG 31 -4.040 9.535 -12.107 221 HE ARG 31 HE ARG 31 -5.610 7.260 -13.151 222 HH11 ARG 31 HH12 ARG 31 -5.001 10.708 -13.532 223 HH12 ARG 31 HH11 ARG 31 -5.494 10.711 -15.198 224 HH21 ARG 31 HH22 ARG 31 -6.115 7.261 -15.320 225 HH22 ARG 31 HH21 ARG 31 -6.176 8.763 -16.191 226 H LEU 32 H LEU 32 -1.986 5.363 -8.889 227 HA LEU 32 HA LEU 32 -2.952 2.573 -9.243 228 HB2 LEU 32 HB1 LEU 32 -0.763 2.983 -8.242 229 HB3 LEU 32 HB2 LEU 32 -1.481 4.098 -7.056 230 HG LEU 32 HG LEU 32 -2.730 2.140 -6.077 231 HD11 LEU 32 HD11 LEU 32 -1.895 -0.138 -6.607 232 HD12 LEU 32 HD12 LEU 32 -0.900 0.524 -7.918 233 HD13 LEU 32 HD13 LEU 32 -2.670 0.596 -8.013 234 HD21 LEU 32 HD21 LEU 32 -0.621 3.013 -5.114 235 HD22 LEU 32 HD22 LEU 32 0.315 1.925 -6.157 236 HD23 LEU 32 HD23 LEU 32 -0.750 1.260 -4.899 237 H VAL 33 H VAL 33 -5.062 2.233 -8.845 238 HA VAL 33 HA VAL 33 -6.586 4.101 -7.056 239 HB VAL 33 HB VAL 33 -8.642 2.989 -8.200 240 HG11 VAL 33 HG11 VAL 33 -8.081 5.308 -8.468 241 HG12 VAL 33 HG12 VAL 33 -6.828 4.928 -9.673 242 HG13 VAL 33 HG13 VAL 33 -8.557 4.642 -10.025 243 HG21 VAL 33 HG21 VAL 33 -7.420 1.174 -9.382 244 HG22 VAL 33 HG22 VAL 33 -8.359 2.205 -10.470 245 HG23 VAL 33 HG23 VAL 33 -6.602 2.399 -10.383 246 H GLY 34 H GLY 34 -5.361 0.865 -7.129 247 HA2 GLY 34 HA3 GLY 34 -6.118 0.444 -4.473 248 HA3 GLY 34 HA2 GLY 34 -7.374 -0.332 -5.464 249 H ALA 35 H ALA 35 -6.697 -2.283 -4.418 250 HA ALA 35 HA ALA 35 -5.042 -3.684 -6.284 251 HB1 ALA 35 HB1 ALA 35 -4.369 -3.952 -3.324 252 HB2 ALA 35 HB2 ALA 35 -3.610 -4.800 -4.702 253 HB3 ALA 35 HB3 ALA 35 -3.395 -3.065 -4.518 254 H ARG 36 H ARG 36 -5.141 -6.236 -5.517 255 HA ARG 36 HA ARG 36 -7.624 -6.858 -3.998 256 HB2 ARG 36 HB1 ARG 36 -6.994 -8.012 -6.748 257 HB3 ARG 36 HB2 ARG 36 -8.246 -8.639 -5.663 258 HG2 ARG 36 HG1 ARG 36 -8.235 -5.854 -6.873 259 HG3 ARG 36 HG2 ARG 36 -9.122 -7.250 -7.535 260 HD2 ARG 36 HD1 ARG 36 -10.824 -6.958 -6.106 261 HD3 ARG 36 HD2 ARG 36 -9.729 -6.849 -4.707 262 HE ARG 36 HE ARG 36 -9.459 -4.522 -5.095 263 HH11 ARG 36 HH12 ARG 36 -11.969 -5.831 -7.225 264 HH12 ARG 36 HH11 ARG 36 -12.762 -4.295 -7.415 265 HH21 ARG 36 HH22 ARG 36 -10.565 -2.566 -5.345 266 HH22 ARG 36 HH21 ARG 36 -11.966 -2.465 -6.371 267 H THR 37 H THR 37 -7.297 -8.690 -2.695 268 HA THR 37 HA THR 37 -4.868 -10.366 -3.108 269 HB THR 37 HB THR 37 -4.169 -8.560 -1.714 270 HG1 THR 37 HG1 THR 37 -3.258 -10.507 -1.430 271 HG21 THR 37 HG21 THR 37 -6.251 -7.960 -0.496 272 HG22 THR 37 HG22 THR 37 -4.889 -8.296 0.584 273 HG23 THR 37 HG23 THR 37 -6.166 -9.509 0.378 274 HA PRO 38 HA PRO 38 -8.017 -13.318 -1.681 275 HB2 PRO 38 HB1 PRO 38 -6.503 -15.438 -0.842 276 HB3 PRO 38 HB2 PRO 38 -6.760 -15.000 -2.563 277 HG2 PRO 38 HG1 PRO 38 -4.391 -14.311 -0.830 278 HG3 PRO 38 HG2 PRO 38 -4.388 -15.027 -2.482 279 HD2 PRO 38 HD1 PRO 38 -4.076 -12.352 -2.079 280 HD3 PRO 38 HD2 PRO 38 -5.009 -12.968 -3.466 281 H VAL 39 H VAL 39 -5.411 -12.191 0.385 282 HA VAL 39 HA VAL 39 -6.463 -13.501 2.749 283 HB VAL 39 HB VAL 39 -4.626 -12.671 3.970 284 HG11 VAL 39 HG11 VAL 39 -3.569 -13.200 1.166 285 HG12 VAL 39 HG12 VAL 39 -2.768 -13.529 2.713 286 HG13 VAL 39 HG13 VAL 39 -4.202 -14.458 2.255 287 HG21 VAL 39 HG21 VAL 39 -4.061 -10.723 1.703 288 HG22 VAL 39 HG22 VAL 39 -4.566 -10.309 3.346 289 HG23 VAL 39 HG23 VAL 39 -2.978 -11.032 3.068 290 H ALA 40 H ALA 40 -7.945 -10.930 1.419 291 HA ALA 40 HA ALA 40 -8.689 -9.821 4.104 292 HB1 ALA 40 HB1 ALA 40 -6.933 -8.406 3.054 293 HB2 ALA 40 HB2 ALA 40 -8.011 -8.142 1.658 294 HB3 ALA 40 HB3 ALA 40 -8.473 -7.570 3.277 295 H GLU 41 H GLU 41 -10.742 -9.077 4.357 296 HA GLU 41 HA GLU 41 -12.964 -9.824 2.635 297 HB2 GLU 41 HB1 GLU 41 -13.423 -9.613 4.901 298 HB3 GLU 41 HB2 GLU 41 -12.544 -8.108 5.075 299 HG2 GLU 41 HG1 GLU 41 -14.961 -8.072 3.305 300 HG3 GLU 41 HG2 GLU 41 -15.232 -8.320 5.055 301 H ARG 42 H ARG 42 -11.264 -6.804 3.345 302 HA ARG 42 HA ARG 42 -11.886 -5.713 0.650 303 HB2 ARG 42 HB1 ARG 42 -13.563 -5.089 2.414 304 HB3 ARG 42 HB2 ARG 42 -12.259 -4.326 3.323 305 HG2 ARG 42 HG1 ARG 42 -11.991 -2.863 1.138 306 HG3 ARG 42 HG2 ARG 42 -13.632 -3.450 0.775 307 HD2 ARG 42 HD1 ARG 42 -12.667 -1.781 3.112 308 HD3 ARG 42 HD2 ARG 42 -13.972 -1.407 1.993 309 HE ARG 42 HE ARG 42 -14.800 -3.747 3.294 310 HH11 ARG 42 HH12 ARG 42 -13.544 -0.691 4.639 311 HH12 ARG 42 HH11 ARG 42 -14.256 -1.043 6.185 312 HH21 ARG 42 HH22 ARG 42 -15.366 -4.229 5.181 313 HH22 ARG 42 HH21 ARG 42 -15.320 -3.112 6.526 314 H VAL 43 H VAL 43 -10.510 -3.970 0.119 315 HA VAL 43 HA VAL 43 -8.103 -3.535 1.710 316 HB VAL 43 HB VAL 43 -7.372 -5.281 0.239 317 HG11 VAL 43 HG11 VAL 43 -9.022 -5.074 -1.594 318 HG12 VAL 43 HG12 VAL 43 -8.199 -3.598 -2.152 319 HG13 VAL 43 HG13 VAL 43 -7.355 -5.162 -2.168 320 HG21 VAL 43 HG21 VAL 43 -6.277 -2.642 -0.809 321 HG22 VAL 43 HG22 VAL 43 -5.813 -3.415 0.723 322 HG23 VAL 43 HG23 VAL 43 -5.466 -4.222 -0.817 323 H GLU 44 H GLU 44 -7.620 -1.472 1.832 324 HA GLU 44 HA GLU 44 -8.889 0.544 -0.012 325 HB2 GLU 44 HB1 GLU 44 -8.575 0.657 3.017 326 HB3 GLU 44 HB2 GLU 44 -9.188 1.967 1.982 327 HG2 GLU 44 HG1 GLU 44 -11.170 0.629 1.448 328 HG3 GLU 44 HG2 GLU 44 -10.546 -0.722 2.419 329 H LEU 45 H LEU 45 -7.178 1.866 -0.922 330 HA LEU 45 HA LEU 45 -4.594 1.851 0.406 331 HB2 LEU 45 HB1 LEU 45 -5.003 1.812 -2.102 332 HB3 LEU 45 HB2 LEU 45 -5.470 3.509 -1.996 333 HG LEU 45 HG LEU 45 -2.843 2.546 -0.785 334 HD11 LEU 45 HD11 LEU 45 -1.703 2.912 -2.857 335 HD12 LEU 45 HD12 LEU 45 -3.237 3.349 -3.683 336 HD13 LEU 45 HD13 LEU 45 -2.977 1.704 -3.106 337 HD21 LEU 45 HD21 LEU 45 -2.041 4.769 -1.375 338 HD22 LEU 45 HD22 LEU 45 -3.522 4.949 -0.438 339 HD23 LEU 45 HD23 LEU 45 -3.572 5.139 -2.207 340 H HIS 46 H HIS 46 -4.022 3.091 1.927 341 HA HIS 46 HA HIS 46 -5.355 5.696 2.432 342 HB2 HIS 46 HB1 HIS 46 -4.064 3.676 4.281 343 HB3 HIS 46 HB2 HIS 46 -4.428 5.323 4.800 344 HD2 HIS 46 HD2 HIS 46 -7.186 3.402 2.831 345 HE1 HIS 46 HE1 HIS 46 -8.346 3.438 6.893 346 HE2 HIS 46 HE2 HIS 46 -9.039 2.725 4.551 347 H GLU 47 H GLU 47 -4.072 7.393 3.273 348 HA GLU 47 HA GLU 47 -1.175 7.360 2.523 349 HB2 GLU 47 HB1 GLU 47 -1.292 9.695 2.089 350 HB3 GLU 47 HB2 GLU 47 -2.551 8.897 1.133 351 HG2 GLU 47 HG1 GLU 47 -4.268 9.667 2.659 352 HG3 GLU 47 HG2 GLU 47 -3.065 10.284 3.810 353 H THR 48 H THR 48 -0.125 9.344 3.774 354 HA THR 48 HA THR 48 -1.241 9.728 6.492 355 HB THR 48 HB THR 48 1.742 9.596 5.894 356 HG1 THR 48 HG1 THR 48 0.397 7.618 6.169 357 HG21 THR 48 HG21 THR 48 1.262 11.298 7.610 358 HG22 THR 48 HG22 THR 48 1.952 9.859 8.375 359 HG23 THR 48 HG23 THR 48 0.202 10.162 8.474 360 H PHE 49 H PHE 49 -1.858 11.752 6.565 361 HA PHE 49 HA PHE 49 -0.514 13.837 4.914 362 HB2 PHE 49 HB1 PHE 49 -2.514 15.186 5.364 363 HB3 PHE 49 HB2 PHE 49 -2.892 13.672 4.530 364 HD1 PHE 49 HD1 PHE 49 -3.061 15.440 7.824 365 HD2 PHE 49 HD2 PHE 49 -4.374 12.053 5.511 366 HE1 PHE 49 HE1 PHE 49 -4.691 14.883 9.588 367 HE2 PHE 49 HE2 PHE 49 -6.001 11.480 7.286 368 HZ PHE 49 HZ PHE 49 -6.169 12.893 9.318 369 H MET 50 H MET 50 -0.296 15.940 5.928 370 HA MET 50 HA MET 50 -0.277 16.031 8.888 371 HB2 MET 50 HB1 MET 50 1.980 16.860 7.054 372 HB3 MET 50 HB2 MET 50 1.719 17.690 8.613 373 HG2 MET 50 HG1 MET 50 1.895 15.624 9.829 374 HG3 MET 50 HG2 MET 50 2.001 14.669 8.351 375 HE1 MET 50 HE1 MET 50 5.522 15.048 7.077 376 HE2 MET 50 HE2 MET 50 4.019 14.098 7.109 377 HE3 MET 50 HE3 MET 50 4.018 15.745 6.437 378 H ARG 51 H ARG 51 -1.312 17.747 9.670 379 HA ARG 51 HA ARG 51 -2.152 20.002 7.935 380 HB2 ARG 51 HB1 ARG 51 -3.626 18.156 7.393 381 HB3 ARG 51 HB2 ARG 51 -3.987 17.860 9.090 382 HG2 ARG 51 HG1 ARG 51 -4.614 20.620 8.261 383 HG3 ARG 51 HG2 ARG 51 -5.463 19.400 7.272 384 HD2 ARG 51 HD1 ARG 51 -6.493 18.417 9.195 385 HD3 ARG 51 HD2 ARG 51 -5.462 19.362 10.305 386 HE ARG 51 HE ARG 51 -6.764 21.184 10.065 387 HH11 ARG 51 HH12 ARG 51 -7.854 18.890 7.607 388 HH12 ARG 51 HH11 ARG 51 -9.349 19.738 7.308 389 HH21 ARG 51 HH22 ARG 51 -8.697 22.249 9.626 390 HH22 ARG 51 HH21 ARG 51 -9.831 21.634 8.453 391 H GLU 52 H GLU 52 -2.846 21.831 9.109 392 HA GLU 52 HA GLU 52 -2.162 21.904 11.917 393 HB2 GLU 52 HB1 GLU 52 -2.943 23.899 9.883 394 HB3 GLU 52 HB2 GLU 52 -3.476 24.252 11.567 395 HG2 GLU 52 HG1 GLU 52 -1.388 25.305 11.275 396 HG3 GLU 52 HG2 GLU 52 -1.177 23.920 12.361 397 H VAL 53 H VAL 53 -3.361 21.869 13.635 398 HA VAL 53 HA VAL 53 -6.344 21.864 13.470 399 HB VAL 53 HB VAL 53 -4.795 19.953 15.227 400 HG11 VAL 53 HG11 VAL 53 -7.042 18.998 15.693 401 HG12 VAL 53 HG12 VAL 53 -6.964 20.684 16.207 402 HG13 VAL 53 HG13 VAL 53 -7.795 20.260 14.697 403 HG21 VAL 53 HG21 VAL 53 -5.770 18.155 13.808 404 HG22 VAL 53 HG22 VAL 53 -6.432 19.382 12.707 405 HG23 VAL 53 HG23 VAL 53 -4.677 19.181 12.881 406 H GLU 54 H GLU 54 -4.641 21.387 16.392 407 HA GLU 54 HA GLU 54 -5.143 24.129 17.355 408 HB2 GLU 54 HB1 GLU 54 -5.452 22.075 18.746 409 HB3 GLU 54 HB2 GLU 54 -3.715 21.848 18.780 410 HG2 GLU 54 HG1 GLU 54 -5.040 24.445 19.683 411 HG3 GLU 54 HG2 GLU 54 -4.855 23.044 20.774 412 H GLY 55 H GLY 55 -3.998 25.019 15.594 413 HA2 GLY 55 HA3 GLY 55 -2.388 26.277 14.666 414 HA3 GLY 55 HA2 GLY 55 -1.638 26.265 16.278 415 H LYS 56 H LYS 56 -1.281 23.208 15.692 416 HA LYS 56 HA LYS 56 1.334 23.436 14.290 417 HB2 LYS 56 HB1 LYS 56 0.256 21.887 16.685 418 HB3 LYS 56 HB2 LYS 56 1.838 21.548 15.958 419 HG2 LYS 56 HG1 LYS 56 2.652 23.738 16.494 420 HG3 LYS 56 HG2 LYS 56 1.057 24.319 16.982 421 HD2 LYS 56 HD1 LYS 56 2.607 22.134 18.401 422 HD3 LYS 56 HD2 LYS 56 2.599 23.844 18.885 423 HE2 LYS 56 HE1 LYS 56 0.191 21.982 18.827 424 HE3 LYS 56 HE2 LYS 56 1.086 22.481 20.280 425 HZ1 LYS 56 HZ1 LYS 56 -0.691 24.114 18.584 426 HZ2 LYS 56 HZ2 LYS 56 0.359 24.828 19.659 427 HZ3 LYS 56 HZ3 LYS 56 -0.834 23.813 20.117 428 H LYS 57 H LYS 57 2.116 21.604 13.126 429 HA LYS 57 HA LYS 57 0.090 20.292 11.570 430 HB2 LYS 57 HB1 LYS 57 2.151 18.989 10.669 431 HB3 LYS 57 HB2 LYS 57 1.745 20.627 10.176 432 HG2 LYS 57 HG1 LYS 57 3.525 20.963 12.321 433 HG3 LYS 57 HG2 LYS 57 4.141 19.530 11.457 434 HD2 LYS 57 HD1 LYS 57 5.253 21.448 10.574 435 HD3 LYS 57 HD2 LYS 57 4.151 20.887 9.328 436 HE2 LYS 57 HE1 LYS 57 3.244 23.028 11.273 437 HE3 LYS 57 HE2 LYS 57 4.390 23.478 9.994 438 HZ1 LYS 57 HZ1 LYS 57 1.663 22.381 9.621 439 HZ2 LYS 57 HZ2 LYS 57 2.713 22.718 8.368 440 HZ3 LYS 57 HZ3 LYS 57 2.058 23.859 9.370 441 H VAL 58 H VAL 58 -1.177 18.964 12.568 442 HA VAL 58 HA VAL 58 -0.240 16.673 14.186 443 HB VAL 58 HB VAL 58 -2.987 17.477 13.175 444 HG11 VAL 58 HG11 VAL 58 -2.958 15.048 13.449 445 HG12 VAL 58 HG12 VAL 58 -2.196 15.205 15.051 446 HG13 VAL 58 HG13 VAL 58 -3.862 15.767 14.781 447 HG21 VAL 58 HG21 VAL 58 -2.187 19.014 14.902 448 HG22 VAL 58 HG22 VAL 58 -3.436 17.972 15.587 449 HG23 VAL 58 HG23 VAL 58 -1.727 17.652 15.948 450 H MET 59 H MET 59 0.106 14.674 13.333 451 HA MET 59 HA MET 59 -0.256 14.249 10.419 452 HB2 MET 59 HB1 MET 59 1.192 12.352 10.639 453 HB3 MET 59 HB2 MET 59 1.960 13.806 11.300 454 HG2 MET 59 HG1 MET 59 0.959 12.880 13.581 455 HG3 MET 59 HG2 MET 59 0.927 11.344 12.701 456 HE1 MET 59 HE1 MET 59 4.642 13.801 13.920 457 HE2 MET 59 HE2 MET 59 3.439 14.436 12.777 458 HE3 MET 59 HE3 MET 59 2.972 14.086 14.454 459 H GLY 60 H GLY 60 -1.496 12.568 9.593 460 HA2 GLY 60 HA3 GLY 60 -2.763 10.606 11.321 461 HA3 GLY 60 HA2 GLY 60 -3.906 11.815 10.694 462 H MET 61 H MET 61 -4.262 9.158 10.080 463 HA MET 61 HA MET 61 -3.420 8.898 7.223 464 HB2 MET 61 HB1 MET 61 -4.058 6.744 9.274 465 HB3 MET 61 HB2 MET 61 -3.671 6.468 7.552 466 HG2 MET 61 HG1 MET 61 -1.682 6.018 8.618 467 HG3 MET 61 HG2 MET 61 -1.459 7.654 8.014 468 HE1 MET 61 HE1 MET 61 0.767 7.557 11.187 469 HE2 MET 61 HE2 MET 61 0.474 6.277 9.981 470 HE3 MET 61 HE3 MET 61 0.659 7.958 9.458 471 H ARG 62 H ARG 62 -4.916 8.098 5.730 472 HA ARG 62 HA ARG 62 -7.635 7.399 6.400 473 HB2 ARG 62 HB1 ARG 62 -7.023 10.183 5.444 474 HB3 ARG 62 HB2 ARG 62 -8.411 9.351 4.697 475 HG2 ARG 62 HG1 ARG 62 -9.061 8.886 7.230 476 HG3 ARG 62 HG2 ARG 62 -8.058 10.330 7.509 477 HD2 ARG 62 HD1 ARG 62 -10.278 11.133 7.246 478 HD3 ARG 62 HD2 ARG 62 -9.439 11.506 5.725 479 HE ARG 62 HE ARG 62 -10.801 9.991 4.604 480 HH11 ARG 62 HH12 ARG 62 -11.342 9.549 8.056 481 HH12 ARG 62 HH11 ARG 62 -12.782 8.594 7.828 482 HH21 ARG 62 HH22 ARG 62 -12.582 8.674 4.336 483 HH22 ARG 62 HH21 ARG 62 -13.426 8.025 5.709 484 HA PRO 63 HA PRO 63 -7.286 5.653 2.283 485 HB2 PRO 63 HB1 PRO 63 -9.919 5.577 1.468 486 HB3 PRO 63 HB2 PRO 63 -9.112 4.329 2.433 487 HG2 PRO 63 HG1 PRO 63 -10.964 6.460 3.310 488 HG3 PRO 63 HG2 PRO 63 -10.689 4.852 4.045 489 HD2 PRO 63 HD1 PRO 63 -9.727 7.323 5.000 490 HD3 PRO 63 HD2 PRO 63 -9.054 5.738 5.436 491 H VAL 64 H VAL 64 -7.126 6.337 0.228 492 HA VAL 64 HA VAL 64 -8.031 9.110 -0.443 493 HB VAL 64 HB VAL 64 -5.937 8.998 -2.042 494 HG11 VAL 64 HG11 VAL 64 -6.334 10.710 -0.383 495 HG12 VAL 64 HG12 VAL 64 -5.744 9.643 0.912 496 HG13 VAL 64 HG13 VAL 64 -4.633 10.220 -0.358 497 HG21 VAL 64 HG21 VAL 64 -3.940 7.971 -1.114 498 HG22 VAL 64 HG22 VAL 64 -4.862 7.277 0.228 499 HG23 VAL 64 HG23 VAL 64 -5.170 6.726 -1.438 500 HA PRO 65 HA PRO 65 -9.906 7.300 -3.967 501 HB2 PRO 65 HB1 PRO 65 -9.770 9.228 -5.898 502 HB3 PRO 65 HB2 PRO 65 -10.788 9.389 -4.433 503 HG2 PRO 65 HG1 PRO 65 -7.995 10.489 -4.883 504 HG3 PRO 65 HG2 PRO 65 -9.447 11.368 -4.275 505 HD2 PRO 65 HD1 PRO 65 -7.588 10.354 -2.566 506 HD3 PRO 65 HD2 PRO 65 -9.330 10.273 -2.175 507 H PHE 66 H PHE 66 -6.514 8.366 -4.274 508 HA PHE 66 HA PHE 66 -5.739 6.075 -5.625 509 HB2 PHE 66 HB1 PHE 66 -5.043 6.918 -7.805 510 HB3 PHE 66 HB2 PHE 66 -6.794 6.927 -7.647 511 HD1 PHE 66 HD1 PHE 66 -3.757 9.033 -7.912 512 HD2 PHE 66 HD2 PHE 66 -8.060 8.998 -7.694 513 HE1 PHE 66 HE1 PHE 66 -3.802 11.363 -8.720 514 HE2 PHE 66 HE2 PHE 66 -8.111 11.351 -8.482 515 HZ PHE 66 HZ PHE 66 -5.981 12.536 -9.011 516 H LEU 67 H LEU 67 -3.543 6.206 -6.384 517 HA LEU 67 HA LEU 67 -1.851 8.398 -5.324 518 HB2 LEU 67 HB1 LEU 67 -1.749 5.536 -4.767 519 HB3 LEU 67 HB2 LEU 67 -0.294 5.989 -5.671 520 HG LEU 67 HG LEU 67 -1.261 7.189 -3.048 521 HD11 LEU 67 HD11 LEU 67 -0.296 4.905 -2.877 522 HD12 LEU 67 HD12 LEU 67 0.882 6.071 -2.251 523 HD13 LEU 67 HD13 LEU 67 1.100 5.388 -3.861 524 HD21 LEU 67 HD21 LEU 67 0.994 8.341 -3.037 525 HD22 LEU 67 HD22 LEU 67 -0.059 8.957 -4.303 526 HD23 LEU 67 HD23 LEU 67 1.244 7.819 -4.713 527 H GLU 68 H GLU 68 0.343 8.317 -6.662 528 HA GLU 68 HA GLU 68 0.062 7.186 -9.333 529 HB2 GLU 68 HB1 GLU 68 0.486 9.210 -10.543 530 HB3 GLU 68 HB2 GLU 68 -1.001 9.379 -9.589 531 HG2 GLU 68 HG1 GLU 68 0.342 10.666 -7.882 532 HG3 GLU 68 HG2 GLU 68 1.752 10.542 -8.957 533 H VAL 69 H VAL 69 2.031 7.567 -10.613 534 HA VAL 69 HA VAL 69 4.524 7.710 -9.026 535 HB VAL 69 HB VAL 69 3.931 5.260 -10.753 536 HG11 VAL 69 HG11 VAL 69 5.992 4.336 -9.713 537 HG12 VAL 69 HG12 VAL 69 6.307 5.777 -10.673 538 HG13 VAL 69 HG13 VAL 69 6.256 5.897 -8.908 539 HG21 VAL 69 HG21 VAL 69 3.909 3.902 -8.687 540 HG22 VAL 69 HG22 VAL 69 3.950 5.389 -7.714 541 HG23 VAL 69 HG23 VAL 69 2.548 5.021 -8.753 542 HA PRO 70 HA PRO 70 5.414 9.529 -13.036 543 HB2 PRO 70 HB1 PRO 70 7.999 10.333 -12.701 544 HB3 PRO 70 HB2 PRO 70 6.610 11.138 -11.910 545 HG2 PRO 70 HG1 PRO 70 8.454 9.025 -10.749 546 HG3 PRO 70 HG2 PRO 70 7.950 10.582 -10.001 547 HD2 PRO 70 HD1 PRO 70 6.721 8.200 -9.418 548 HD3 PRO 70 HD2 PRO 70 5.810 9.738 -9.490 549 HA PRO 71 HA PRO 71 7.566 6.395 -15.430 550 HB2 PRO 71 HB1 PRO 71 8.832 7.909 -17.355 551 HB3 PRO 71 HB2 PRO 71 7.105 7.432 -17.339 552 HG2 PRO 71 HG1 PRO 71 8.332 10.059 -16.566 553 HG3 PRO 71 HG2 PRO 71 6.770 9.738 -17.419 554 HD2 PRO 71 HD1 PRO 71 6.953 10.344 -14.742 555 HD3 PRO 71 HD2 PRO 71 5.659 9.343 -15.436 556 H LYS 72 H LYS 72 9.482 5.297 -15.465 557 HA LYS 72 HA LYS 72 11.342 4.580 -14.504 558 HB2 LYS 72 HB1 LYS 72 11.944 6.966 -16.003 559 HB3 LYS 72 HB2 LYS 72 13.074 6.853 -14.627 560 HG2 LYS 72 HG1 LYS 72 14.023 5.623 -16.405 561 HG3 LYS 72 HG2 LYS 72 13.464 4.462 -15.199 562 HD2 LYS 72 HD1 LYS 72 13.096 3.676 -17.482 563 HD3 LYS 72 HD2 LYS 72 11.554 3.874 -16.636 564 HE2 LYS 72 HE1 LYS 72 11.080 5.910 -17.845 565 HE3 LYS 72 HE2 LYS 72 12.707 5.954 -18.548 566 HZ1 LYS 72 HZ1 LYS 72 10.675 3.853 -19.061 567 HZ2 LYS 72 HZ2 LYS 72 12.159 3.933 -19.763 568 HZ3 LYS 72 HZ3 LYS 72 11.055 5.076 -20.088 569 H GLY 73 H GLY 73 9.514 5.951 -12.862 570 HA2 GLY 73 HA3 GLY 73 10.997 6.760 -10.430 571 HA3 GLY 73 HA2 GLY 73 9.246 6.918 -10.697 572 H ARG 74 H ARG 74 11.604 5.315 -9.162 573 HA ARG 74 HA ARG 74 9.912 3.008 -8.386 574 HB2 ARG 74 HB1 ARG 74 12.296 2.508 -8.688 575 HB3 ARG 74 HB2 ARG 74 12.710 3.679 -7.421 576 HG2 ARG 74 HG1 ARG 74 11.611 2.365 -5.735 577 HG3 ARG 74 HG2 ARG 74 10.879 1.288 -6.928 578 HD2 ARG 74 HD1 ARG 74 13.826 1.371 -7.090 579 HD3 ARG 74 HD2 ARG 74 13.223 0.855 -5.502 580 HE ARG 74 HE ARG 74 12.532 -0.470 -8.127 581 HH11 ARG 74 HH12 ARG 74 13.283 -0.883 -4.733 582 HH12 ARG 74 HH11 ARG 74 12.926 -2.587 -4.774 583 HH21 ARG 74 HH22 ARG 74 11.863 -2.519 -8.089 584 HH22 ARG 74 HH21 ARG 74 12.131 -3.525 -6.676 585 H VAL 75 H VAL 75 8.701 2.938 -6.657 586 HA VAL 75 HA VAL 75 8.933 5.053 -4.529 587 HB VAL 75 HB VAL 75 6.480 4.885 -4.211 588 HG11 VAL 75 HG11 VAL 75 7.439 6.761 -5.430 589 HG12 VAL 75 HG12 VAL 75 7.385 5.851 -6.950 590 HG13 VAL 75 HG13 VAL 75 5.875 6.314 -6.135 591 HG21 VAL 75 HG21 VAL 75 6.101 2.668 -5.327 592 HG22 VAL 75 HG22 VAL 75 5.020 3.945 -5.905 593 HG23 VAL 75 HG23 VAL 75 6.399 3.444 -6.899 594 H GLU 76 H GLU 76 7.697 4.345 -2.459 595 HA GLU 76 HA GLU 76 7.786 1.477 -1.899 596 HB2 GLU 76 HB1 GLU 76 10.086 2.210 -1.472 597 HB3 GLU 76 HB2 GLU 76 9.503 3.505 -0.408 598 HG2 GLU 76 HG1 GLU 76 8.707 1.942 1.214 599 HG3 GLU 76 HG2 GLU 76 8.846 0.581 0.101 600 H LEU 77 H LEU 77 6.070 0.997 -0.752 601 HA LEU 77 HA LEU 77 4.498 3.073 0.634 602 HB2 LEU 77 HB1 LEU 77 4.041 0.195 -0.140 603 HB3 LEU 77 HB2 LEU 77 3.026 0.971 1.104 604 HG LEU 77 HG LEU 77 2.554 2.808 -0.609 605 HD11 LEU 77 HD11 LEU 77 3.772 0.768 -2.514 606 HD12 LEU 77 HD12 LEU 77 4.279 2.454 -2.275 607 HD13 LEU 77 HD13 LEU 77 2.721 2.108 -3.015 608 HD21 LEU 77 HD21 LEU 77 0.805 1.475 -1.740 609 HD22 LEU 77 HD22 LEU 77 0.890 1.149 -0.011 610 HD23 LEU 77 HD23 LEU 77 1.581 -0.021 -1.163 611 H LYS 78 H LYS 78 3.813 2.915 2.756 612 HA LYS 78 HA LYS 78 5.307 1.548 4.815 613 HB2 LYS 78 HB1 LYS 78 6.388 3.814 5.515 614 HB3 LYS 78 HB2 LYS 78 7.142 2.752 4.304 615 HG2 LYS 78 HG1 LYS 78 6.047 4.325 2.545 616 HG3 LYS 78 HG2 LYS 78 5.747 5.446 3.880 617 HD2 LYS 78 HD1 LYS 78 7.836 6.112 2.901 618 HD3 LYS 78 HD2 LYS 78 8.245 5.291 4.419 619 HE2 LYS 78 HE1 LYS 78 8.527 3.157 3.044 620 HE3 LYS 78 HE2 LYS 78 8.306 4.128 1.581 621 HZ1 LYS 78 HZ1 LYS 78 10.617 3.683 2.150 622 HZ2 LYS 78 HZ2 LYS 78 10.486 4.448 3.567 623 HZ3 LYS 78 HZ3 LYS 78 10.336 5.306 2.157 624 HA PRO 79 HA PRO 79 1.746 2.798 7.013 625 HB2 PRO 79 HB1 PRO 79 2.524 2.815 9.655 626 HB3 PRO 79 HB2 PRO 79 2.276 1.338 8.687 627 HG2 PRO 79 HG1 PRO 79 4.862 2.758 9.330 628 HG3 PRO 79 HG2 PRO 79 4.533 0.989 9.332 629 HD2 PRO 79 HD1 PRO 79 5.786 2.286 7.253 630 HD3 PRO 79 HD2 PRO 79 4.728 0.873 7.001 631 H GLY 80 H GLY 80 4.565 4.561 8.408 632 HA2 GLY 80 HA3 GLY 80 3.192 7.166 8.318 633 HA3 GLY 80 HA2 GLY 80 4.916 6.867 8.635 634 H GLY 81 H GLY 81 2.472 7.383 6.315 635 HA2 GLY 81 HA3 GLY 81 3.171 8.279 4.004 636 HA3 GLY 81 HA2 GLY 81 4.155 6.799 3.944 637 H TYR 82 H TYR 82 2.972 6.140 2.116 638 HA TYR 82 HA TYR 82 0.081 5.679 2.300 639 HB2 TYR 82 HB1 TYR 82 1.879 5.052 -0.041 640 HB3 TYR 82 HB2 TYR 82 0.138 5.356 -0.045 641 HD1 TYR 82 HD1 TYR 82 3.500 6.863 0.326 642 HD2 TYR 82 HD2 TYR 82 -0.717 7.650 -0.125 643 HE1 TYR 82 HE1 TYR 82 4.000 9.246 0.161 644 HE2 TYR 82 HE2 TYR 82 -0.242 10.067 -0.408 645 HH TYR 82 HH TYR 82 3.102 11.377 -0.172 646 H HIS 83 H HIS 83 -0.984 3.712 2.190 647 HA HIS 83 HA HIS 83 0.494 1.173 2.116 648 HB2 HIS 83 HB1 HIS 83 -0.035 0.622 4.464 649 HB3 HIS 83 HB2 HIS 83 1.167 1.912 4.302 650 HD1 HIS 83 HD1 HIS 83 0.335 4.438 5.124 651 HD2 HIS 83 HD2 HIS 83 -2.329 1.204 5.658 652 HE1 HIS 83 HE1 HIS 83 -1.524 5.273 6.607 653 H PHE 84 H PHE 84 -0.975 -0.670 2.229 654 HA PHE 84 HA PHE 84 -3.796 0.074 1.530 655 HB2 PHE 84 HB1 PHE 84 -2.124 -2.436 1.259 656 HB3 PHE 84 HB2 PHE 84 -3.870 -2.404 0.996 657 HD1 PHE 84 HD2 PHE 84 -4.760 -0.724 -0.785 658 HD2 PHE 84 HD1 PHE 84 -0.643 -1.966 -0.496 659 HE1 PHE 84 HE2 PHE 84 -4.459 -0.322 -3.213 660 HE2 PHE 84 HE1 PHE 84 -0.324 -1.460 -2.906 661 HZ PHE 84 HZ PHE 84 -2.249 -0.683 -4.272 662 H MET 85 H MET 85 -5.216 -0.004 3.180 663 HA MET 85 HA MET 85 -4.721 -1.555 5.652 664 HB2 MET 85 HB1 MET 85 -6.964 0.134 4.570 665 HB3 MET 85 HB2 MET 85 -7.308 -1.046 5.860 666 HG2 MET 85 HG1 MET 85 -5.196 1.112 6.063 667 HG3 MET 85 HG2 MET 85 -6.873 1.233 6.678 668 HE1 MET 85 HE1 MET 85 -3.486 0.995 7.836 669 HE2 MET 85 HE2 MET 85 -3.305 -0.510 8.776 670 HE3 MET 85 HE3 MET 85 -3.426 -0.577 7.005 671 H LEU 86 H LEU 86 -5.195 -3.570 5.989 672 HA LEU 86 HA LEU 86 -6.840 -5.100 3.990 673 HB2 LEU 86 HB1 LEU 86 -4.846 -6.131 6.051 674 HB3 LEU 86 HB2 LEU 86 -5.754 -7.105 4.878 675 HG LEU 86 HG LEU 86 -3.488 -5.146 4.336 676 HD11 LEU 86 HD11 LEU 86 -2.815 -7.330 5.205 677 HD12 LEU 86 HD12 LEU 86 -2.384 -7.215 3.493 678 HD13 LEU 86 HD13 LEU 86 -3.798 -8.158 3.975 679 HD21 LEU 86 HD21 LEU 86 -5.238 -6.612 2.320 680 HD22 LEU 86 HD22 LEU 86 -3.681 -5.842 1.938 681 HD23 LEU 86 HD23 LEU 86 -5.030 -4.852 2.496 682 H LEU 87 H LEU 87 -8.853 -5.426 4.686 683 HA LEU 87 HA LEU 87 -9.432 -5.421 7.628 684 HB2 LEU 87 HB1 LEU 87 -11.181 -4.909 5.200 685 HB3 LEU 87 HB2 LEU 87 -11.752 -4.942 6.888 686 HG LEU 87 HG LEU 87 -11.711 -2.712 6.266 687 HD11 LEU 87 HD11 LEU 87 -9.084 -3.098 7.752 688 HD12 LEU 87 HD12 LEU 87 -10.700 -3.177 8.498 689 HD13 LEU 87 HD13 LEU 87 -10.125 -1.661 7.772 690 HD21 LEU 87 HD21 LEU 87 -8.838 -2.858 5.293 691 HD22 LEU 87 HD22 LEU 87 -9.942 -1.479 5.226 692 HD23 LEU 87 HD23 LEU 87 -10.267 -2.909 4.229 693 H GLY 88 H GLY 88 -10.812 -6.991 8.479 694 HA2 GLY 88 HA3 GLY 88 -11.672 -9.111 8.795 695 HA3 GLY 88 HA2 GLY 88 -12.314 -8.911 7.149 696 H LEU 89 H LEU 89 -9.306 -9.774 8.858 697 HA LEU 89 HA LEU 89 -7.926 -10.664 6.613 698 HB2 LEU 89 HB1 LEU 89 -7.460 -11.458 9.495 699 HB3 LEU 89 HB2 LEU 89 -6.285 -11.507 8.162 700 HG LEU 89 HG LEU 89 -7.529 -9.010 9.413 701 HD11 LEU 89 HD11 LEU 89 -4.760 -10.240 9.515 702 HD12 LEU 89 HD12 LEU 89 -5.918 -10.117 10.841 703 HD13 LEU 89 HD13 LEU 89 -5.185 -8.641 10.175 704 HD21 LEU 89 HD21 LEU 89 -5.559 -9.282 7.100 705 HD22 LEU 89 HD22 LEU 89 -5.849 -7.774 7.998 706 HD23 LEU 89 HD23 LEU 89 -7.156 -8.510 7.068 707 H LYS 90 H LYS 90 -8.317 -12.224 5.328 708 HA LYS 90 HA LYS 90 -9.651 -14.734 6.099 709 HB2 LYS 90 HB1 LYS 90 -8.479 -13.878 3.424 710 HB3 LYS 90 HB2 LYS 90 -9.573 -15.252 3.703 711 HG2 LYS 90 HG1 LYS 90 -11.338 -13.674 4.445 712 HG3 LYS 90 HG2 LYS 90 -10.225 -12.309 4.123 713 HD2 LYS 90 HD1 LYS 90 -10.211 -12.732 1.780 714 HD3 LYS 90 HD2 LYS 90 -11.096 -14.256 1.962 715 HE2 LYS 90 HE1 LYS 90 -13.119 -13.169 2.452 716 HE3 LYS 90 HE2 LYS 90 -12.283 -11.709 3.055 717 HZ1 LYS 90 HZ1 LYS 90 -13.345 -11.350 0.897 718 HZ2 LYS 90 HZ2 LYS 90 -12.388 -12.513 0.208 719 HZ3 LYS 90 HZ3 LYS 90 -11.720 -11.146 0.831 720 H ARG 91 H ARG 91 -6.406 -13.673 5.563 721 HA ARG 91 HA ARG 91 -5.604 -16.135 6.972 722 HB2 ARG 91 HB1 ARG 91 -3.955 -14.658 4.890 723 HB3 ARG 91 HB2 ARG 91 -3.199 -15.626 6.173 724 HG2 ARG 91 HG1 ARG 91 -5.186 -16.747 4.166 725 HG3 ARG 91 HG2 ARG 91 -3.411 -16.777 3.962 726 HD2 ARG 91 HD1 ARG 91 -3.218 -18.040 6.104 727 HD3 ARG 91 HD2 ARG 91 -4.995 -18.086 6.207 728 HE ARG 91 HE ARG 91 -5.082 -19.638 4.490 729 HH11 ARG 91 HH12 ARG 91 -1.673 -18.638 4.935 730 HH12 ARG 91 HH11 ARG 91 -1.084 -19.927 3.952 731 HH21 ARG 91 HH22 ARG 91 -4.218 -21.283 3.217 732 HH22 ARG 91 HH21 ARG 91 -2.494 -21.392 2.991 733 HA PRO 92 HA PRO 92 -4.488 -12.566 9.669 734 HB2 PRO 92 HB1 PRO 92 -3.493 -13.991 11.773 735 HB3 PRO 92 HB2 PRO 92 -5.249 -13.740 11.529 736 HG2 PRO 92 HG1 PRO 92 -3.588 -16.152 10.775 737 HG3 PRO 92 HG2 PRO 92 -5.187 -16.118 11.599 738 HD2 PRO 92 HD1 PRO 92 -4.895 -16.557 8.896 739 HD3 PRO 92 HD2 PRO 92 -6.307 -15.698 9.574 740 H LEU 93 H LEU 93 -2.491 -11.605 9.537 741 HA LEU 93 HA LEU 93 -0.632 -12.805 7.734 742 HB2 LEU 93 HB1 LEU 93 -0.606 -10.194 9.276 743 HB3 LEU 93 HB2 LEU 93 0.574 -10.618 8.009 744 HG LEU 93 HG LEU 93 -0.853 -9.142 6.992 745 HD11 LEU 93 HD11 LEU 93 -0.491 -11.141 5.607 746 HD12 LEU 93 HD12 LEU 93 -2.044 -10.365 5.257 747 HD13 LEU 93 HD13 LEU 93 -1.996 -11.856 6.226 748 HD21 LEU 93 HD21 LEU 93 -3.335 -10.619 7.874 749 HD22 LEU 93 HD22 LEU 93 -3.212 -9.047 7.074 750 HD23 LEU 93 HD23 LEU 93 -2.657 -9.217 8.750 751 H LYS 94 H LYS 94 -0.234 -14.696 9.321 752 HA LYS 94 HA LYS 94 1.551 -14.580 11.492 753 HB2 LYS 94 HB1 LYS 94 0.091 -16.414 10.615 754 HB3 LYS 94 HB2 LYS 94 1.177 -16.644 9.260 755 HG2 LYS 94 HG1 LYS 94 1.852 -17.105 12.173 756 HG3 LYS 94 HG2 LYS 94 1.365 -18.369 11.032 757 HD2 LYS 94 HD1 LYS 94 3.794 -16.626 10.635 758 HD3 LYS 94 HD2 LYS 94 3.824 -18.139 11.573 759 HE2 LYS 94 HE1 LYS 94 4.749 -18.582 9.444 760 HE3 LYS 94 HE2 LYS 94 3.184 -19.384 9.496 761 HZ1 LYS 94 HZ1 LYS 94 3.841 -18.044 7.417 762 HZ2 LYS 94 HZ2 LYS 94 3.488 -16.706 8.279 763 HZ3 LYS 94 HZ3 LYS 94 2.325 -17.827 7.972 764 H ALA 95 H ALA 95 3.662 -13.751 11.527 765 HA ALA 95 HA ALA 95 5.126 -12.706 9.472 766 HB1 ALA 95 HB1 ALA 95 6.265 -14.247 11.841 767 HB2 ALA 95 HB2 ALA 95 7.128 -13.042 10.867 768 HB3 ALA 95 HB3 ALA 95 5.746 -12.544 11.858 769 H GLY 96 H GLY 96 6.093 -13.365 7.615 770 HA2 GLY 96 HA3 GLY 96 6.853 -14.779 5.972 771 HA3 GLY 96 HA2 GLY 96 7.158 -16.014 7.216 772 H GLU 97 H GLU 97 3.987 -14.553 6.375 773 HA GLU 97 HA GLU 97 3.108 -17.028 4.935 774 HB2 GLU 97 HB1 GLU 97 1.815 -14.295 5.055 775 HB3 GLU 97 HB2 GLU 97 1.163 -15.690 4.186 776 HG2 GLU 97 HG1 GLU 97 1.373 -15.527 7.182 777 HG3 GLU 97 HG2 GLU 97 -0.042 -15.037 6.212 778 H GLU 98 H GLU 98 2.359 -16.456 2.665 779 HA GLU 98 HA GLU 98 4.056 -14.473 1.223 780 HB2 GLU 98 HB1 GLU 98 2.707 -16.986 0.160 781 HB3 GLU 98 HB2 GLU 98 3.528 -15.758 -0.828 782 HG2 GLU 98 HG1 GLU 98 5.665 -16.286 0.273 783 HG3 GLU 98 HG2 GLU 98 4.862 -17.491 1.305 784 H VAL 99 H VAL 99 2.815 -13.052 -0.109 785 HA VAL 99 HA VAL 99 -0.177 -13.315 -0.001 786 HB VAL 99 HB VAL 99 1.439 -10.805 0.575 787 HG11 VAL 99 HG11 VAL 99 -0.829 -9.621 0.581 788 HG12 VAL 99 HG12 VAL 99 -0.282 -10.052 -1.037 789 HG13 VAL 99 HG13 VAL 99 -1.503 -11.046 -0.212 790 HG21 VAL 99 HG21 VAL 99 0.002 -10.781 2.593 791 HG22 VAL 99 HG22 VAL 99 -0.859 -12.216 2.024 792 HG23 VAL 99 HG23 VAL 99 0.851 -12.318 2.481 793 H GLU 100 H GLU 100 -0.924 -13.551 -1.815 794 HA GLU 100 HA GLU 100 0.140 -12.538 -4.359 795 HB2 GLU 100 HB1 GLU 100 -1.887 -14.421 -3.390 796 HB3 GLU 100 HB2 GLU 100 -2.568 -13.370 -4.640 797 HG2 GLU 100 HG1 GLU 100 0.108 -14.712 -5.087 798 HG3 GLU 100 HG2 GLU 100 -1.415 -15.620 -5.304 799 H LEU 101 H LEU 101 -0.552 -10.746 -5.435 800 HA LEU 101 HA LEU 101 -2.780 -9.136 -4.477 801 HB2 LEU 101 HB1 LEU 101 -0.017 -8.633 -3.642 802 HB3 LEU 101 HB2 LEU 101 -0.773 -7.225 -4.427 803 HG LEU 101 HG LEU 101 -2.100 -8.619 -2.130 804 HD11 LEU 101 HD11 LEU 101 -1.174 -6.893 -0.707 805 HD12 LEU 101 HD12 LEU 101 -0.227 -6.236 -2.084 806 HD13 LEU 101 HD13 LEU 101 0.127 -7.856 -1.434 807 HD21 LEU 101 HD21 LEU 101 -3.449 -6.998 -3.585 808 HD22 LEU 101 HD22 LEU 101 -2.261 -5.746 -3.189 809 HD23 LEU 101 HD23 LEU 101 -3.265 -6.446 -1.911 810 H ASP 102 H ASP 102 -3.687 -8.077 -6.030 811 HA ASP 102 HA ASP 102 -2.287 -7.614 -8.652 812 HB2 ASP 102 HB1 ASP 102 -5.127 -8.226 -7.825 813 HB3 ASP 102 HB2 ASP 102 -4.766 -7.515 -9.404 814 H LEU 103 H LEU 103 -1.475 -5.551 -8.580 815 HA LEU 103 HA LEU 103 -2.800 -3.380 -7.170 816 HB2 LEU 103 HB1 LEU 103 -0.431 -3.306 -9.061 817 HB3 LEU 103 HB2 LEU 103 -0.875 -2.073 -7.874 818 HG LEU 103 HG LEU 103 0.229 -4.856 -7.355 819 HD11 LEU 103 HD11 LEU 103 1.835 -3.143 -8.155 820 HD12 LEU 103 HD12 LEU 103 2.176 -3.638 -6.495 821 HD13 LEU 103 HD13 LEU 103 1.373 -2.083 -6.804 822 HD21 LEU 103 HD21 LEU 103 -1.394 -4.336 -5.574 823 HD22 LEU 103 HD22 LEU 103 -0.611 -2.762 -5.298 824 HD23 LEU 103 HD23 LEU 103 0.248 -4.285 -4.956 825 H LEU 104 H LEU 104 -4.278 -2.020 -7.971 826 HA LEU 104 HA LEU 104 -5.112 -2.378 -10.789 827 HB2 LEU 104 HB1 LEU 104 -6.524 -0.904 -8.544 828 HB3 LEU 104 HB2 LEU 104 -7.216 -1.427 -10.088 829 HG LEU 104 HG LEU 104 -6.374 -3.135 -7.763 830 HD11 LEU 104 HD11 LEU 104 -8.477 -1.942 -7.443 831 HD12 LEU 104 HD12 LEU 104 -8.768 -3.679 -7.626 832 HD13 LEU 104 HD13 LEU 104 -9.102 -2.583 -8.981 833 HD21 LEU 104 HD21 LEU 104 -5.884 -4.402 -9.830 834 HD22 LEU 104 HD22 LEU 104 -7.508 -4.039 -10.455 835 HD23 LEU 104 HD23 LEU 104 -7.300 -5.086 -9.033 836 H PHE 105 H PHE 105 -4.703 -0.927 -12.330 837 HA PHE 105 HA PHE 105 -4.009 1.842 -11.457 838 HB2 PHE 105 HB1 PHE 105 -2.988 0.196 -13.787 839 HB3 PHE 105 HB2 PHE 105 -2.615 1.909 -13.542 840 HD1 PHE 105 HD2 PHE 105 -1.227 2.628 -11.618 841 HD2 PHE 105 HD1 PHE 105 -1.857 -1.549 -12.488 842 HE1 PHE 105 HE2 PHE 105 0.689 2.032 -10.152 843 HE2 PHE 105 HE1 PHE 105 0.009 -2.126 -10.983 844 HZ PHE 105 HZ PHE 105 1.313 -0.349 -9.834 845 H ALA 106 H ALA 106 -4.935 3.538 -12.343 846 HA ALA 106 HA ALA 106 -7.450 3.201 -13.769 847 HB1 ALA 106 HB1 ALA 106 -5.974 5.583 -12.604 848 HB2 ALA 106 HB2 ALA 106 -7.598 5.680 -13.344 849 HB3 ALA 106 HB3 ALA 106 -7.329 4.682 -11.913 850 H GLY 107 H GLY 107 -6.095 2.228 -15.565 851 HA2 GLY 107 HA3 GLY 107 -6.311 3.871 -17.923 852 HA3 GLY 107 HA2 GLY 107 -4.613 3.619 -17.462 853 H GLY 108 H GLY 108 -7.208 1.202 -17.023 854 HA2 GLY 108 HA3 GLY 108 -7.671 -0.784 -18.100 855 HA3 GLY 108 HA2 GLY 108 -6.567 -0.312 -19.411 856 H LYS 109 H LYS 109 -4.788 -0.077 -16.610 857 HA LYS 109 HA LYS 109 -3.581 -2.741 -17.022 858 HB2 LYS 109 HB1 LYS 109 -2.652 -0.071 -16.039 859 HB3 LYS 109 HB2 LYS 109 -1.840 -1.482 -15.359 860 HG2 LYS 109 HG1 LYS 109 -2.059 -0.799 -18.299 861 HG3 LYS 109 HG2 LYS 109 -0.659 -0.503 -17.232 862 HD2 LYS 109 HD1 LYS 109 -1.738 -3.252 -17.965 863 HD3 LYS 109 HD2 LYS 109 -0.372 -2.422 -18.769 864 HE2 LYS 109 HE1 LYS 109 0.823 -2.356 -16.584 865 HE3 LYS 109 HE2 LYS 109 -0.505 -3.255 -15.831 866 HZ1 LYS 109 HZ1 LYS 109 -0.008 -5.099 -17.302 867 HZ2 LYS 109 HZ2 LYS 109 1.351 -4.669 -16.498 868 HZ3 LYS 109 HZ3 LYS 109 1.171 -4.231 -18.070 869 H VAL 110 H VAL 110 -3.159 -4.133 -15.517 870 HA VAL 110 HA VAL 110 -3.267 -3.398 -12.703 871 HB VAL 110 HB VAL 110 -5.245 -4.700 -12.908 872 HG11 VAL 110 HG11 VAL 110 -5.313 -6.992 -13.850 873 HG12 VAL 110 HG12 VAL 110 -4.929 -5.763 -15.054 874 HG13 VAL 110 HG13 VAL 110 -3.632 -6.798 -14.402 875 HG21 VAL 110 HG21 VAL 110 -3.142 -6.632 -11.836 876 HG22 VAL 110 HG22 VAL 110 -3.896 -5.314 -10.913 877 HG23 VAL 110 HG23 VAL 110 -4.882 -6.651 -11.506 878 H LEU 111 H LEU 111 -1.563 -4.455 -11.494 879 HA LEU 111 HA LEU 111 0.387 -6.112 -13.055 880 HB2 LEU 111 HB1 LEU 111 1.038 -4.025 -10.940 881 HB3 LEU 111 HB2 LEU 111 2.197 -5.202 -11.598 882 HG LEU 111 HG LEU 111 0.840 -2.982 -13.187 883 HD11 LEU 111 HD11 LEU 111 2.467 -2.128 -11.502 884 HD12 LEU 111 HD12 LEU 111 3.046 -1.891 -13.157 885 HD13 LEU 111 HD13 LEU 111 3.710 -3.206 -12.161 886 HD21 LEU 111 HD21 LEU 111 2.511 -3.549 -14.930 887 HD22 LEU 111 HD22 LEU 111 1.445 -4.929 -14.597 888 HD23 LEU 111 HD23 LEU 111 3.091 -4.903 -13.941 889 H LYS 112 H LYS 112 0.326 -8.116 -12.267 890 HA LYS 112 HA LYS 112 -0.504 -8.701 -9.529 891 HB2 LYS 112 HB1 LYS 112 -1.004 -10.251 -11.332 892 HB3 LYS 112 HB2 LYS 112 0.717 -10.437 -11.715 893 HG2 LYS 112 HG1 LYS 112 1.164 -11.606 -9.724 894 HG3 LYS 112 HG2 LYS 112 -0.315 -11.050 -8.927 895 HD2 LYS 112 HD1 LYS 112 -0.290 -12.906 -11.344 896 HD3 LYS 112 HD2 LYS 112 -0.309 -13.487 -9.660 897 HE2 LYS 112 HE1 LYS 112 -2.403 -11.609 -10.829 898 HE3 LYS 112 HE2 LYS 112 -2.594 -13.372 -10.779 899 HZ1 LYS 112 HZ1 LYS 112 -3.515 -11.948 -8.847 900 HZ2 LYS 112 HZ2 LYS 112 -1.955 -11.896 -8.332 901 HZ3 LYS 112 HZ3 LYS 112 -2.618 -13.334 -8.453 902 H VAL 113 H VAL 113 0.769 -8.881 -7.779 903 HA VAL 113 HA VAL 113 3.717 -9.238 -8.031 904 HB VAL 113 HB VAL 113 4.094 -7.619 -6.219 905 HG11 VAL 113 HG11 VAL 113 4.427 -6.939 -8.581 906 HG12 VAL 113 HG12 VAL 113 2.775 -6.278 -8.616 907 HG13 VAL 113 HG13 VAL 113 3.993 -5.578 -7.532 908 HG21 VAL 113 HG21 VAL 113 1.201 -6.746 -6.599 909 HG22 VAL 113 HG22 VAL 113 1.895 -7.484 -5.145 910 HG23 VAL 113 HG23 VAL 113 2.430 -5.883 -5.649 911 H VAL 114 H VAL 114 4.615 -10.459 -6.372 912 HA VAL 114 HA VAL 114 2.785 -11.356 -4.213 913 HB VAL 114 HB VAL 114 2.957 -13.145 -5.830 914 HG11 VAL 114 HG11 VAL 114 4.992 -14.351 -6.325 915 HG12 VAL 114 HG12 VAL 114 5.198 -12.658 -6.796 916 HG13 VAL 114 HG13 VAL 114 5.952 -13.268 -5.304 917 HG21 VAL 114 HG21 VAL 114 3.629 -14.955 -4.312 918 HG22 VAL 114 HG22 VAL 114 4.458 -13.795 -3.256 919 HG23 VAL 114 HG23 VAL 114 2.694 -13.724 -3.456 920 H LEU 115 H LEU 115 3.466 -10.964 -2.254 921 HA LEU 115 HA LEU 115 6.346 -10.296 -1.756 922 HB2 LEU 115 HB1 LEU 115 3.815 -9.261 -0.423 923 HB3 LEU 115 HB2 LEU 115 5.482 -8.780 -0.026 924 HG LEU 115 HG LEU 115 4.646 -6.998 -1.120 925 HD11 LEU 115 HD11 LEU 115 5.871 -6.694 -3.156 926 HD12 LEU 115 HD12 LEU 115 5.893 -8.428 -3.490 927 HD13 LEU 115 HD13 LEU 115 6.826 -7.787 -2.128 928 HD21 LEU 115 HD21 LEU 115 3.382 -8.614 -3.345 929 HD22 LEU 115 HD22 LEU 115 3.287 -6.866 -3.073 930 HD23 LEU 115 HD23 LEU 115 2.537 -7.977 -1.917 931 HA PRO 116 HA PRO 116 5.888 -13.100 1.863 932 HB2 PRO 116 HB1 PRO 116 7.964 -12.283 3.403 933 HB3 PRO 116 HB2 PRO 116 8.227 -13.185 1.881 934 HG2 PRO 116 HG1 PRO 116 8.318 -10.179 2.285 935 HG3 PRO 116 HG2 PRO 116 9.552 -11.222 1.489 936 HD2 PRO 116 HD1 PRO 116 7.645 -9.878 0.058 937 HD3 PRO 116 HD2 PRO 116 8.206 -11.507 -0.422 938 H VAL 117 H VAL 117 5.251 -12.862 4.104 939 HA VAL 117 HA VAL 117 4.410 -10.145 4.955 940 HB VAL 117 HB VAL 117 3.762 -12.937 5.856 941 HG11 VAL 117 HG11 VAL 117 4.068 -11.762 7.965 942 HG12 VAL 117 HG12 VAL 117 2.977 -10.467 7.435 943 HG13 VAL 117 HG13 VAL 117 2.381 -12.131 7.650 944 HG21 VAL 117 HG21 VAL 117 1.998 -10.553 5.165 945 HG22 VAL 117 HG22 VAL 117 2.467 -11.826 4.007 946 HG23 VAL 117 HG23 VAL 117 1.464 -12.210 5.421 947 H GLU 118 H GLU 118 5.203 -9.059 6.741 948 HA GLU 118 HA GLU 118 7.241 -10.294 8.512 949 HB2 GLU 118 HB1 GLU 118 7.618 -7.803 6.832 950 HB3 GLU 118 HB2 GLU 118 8.586 -8.187 8.290 951 HG2 GLU 118 HG1 GLU 118 9.234 -10.345 7.094 952 HG3 GLU 118 HG2 GLU 118 8.613 -9.586 5.619 953 H ALA 119 H ALA 119 7.754 -8.946 10.364 954 HA ALA 119 HA ALA 119 5.429 -7.649 11.595 955 HB1 ALA 119 HB1 ALA 119 8.273 -8.121 12.624 956 HB2 ALA 119 HB2 ALA 119 6.841 -7.717 13.591 957 HB3 ALA 119 HB3 ALA 119 6.952 -9.286 12.772 958 H ARG 120 H ARG 120 5.628 -6.002 9.691 959 HA ARG 120 HA ARG 120 7.382 -3.675 10.459 960 HB2 ARG 120 HB1 ARG 120 6.105 -4.339 7.794 961 HB3 ARG 120 HB2 ARG 120 7.224 -3.010 8.098 962 HG2 ARG 120 HG1 ARG 120 7.929 -5.962 8.321 963 HG3 ARG 120 HG2 ARG 120 8.227 -4.973 6.871 964 HD2 ARG 120 HD1 ARG 120 10.284 -5.220 8.011 965 HD3 ARG 120 HD2 ARG 120 9.744 -3.539 8.156 966 HE ARG 120 HE ARG 120 8.916 -5.281 10.349 967 HH11 ARG 120 HH12 ARG 120 11.503 -3.207 9.347 968 HH12 ARG 120 HH11 ARG 120 11.896 -2.737 10.988 969 HH21 ARG 120 HH22 ARG 120 9.311 -4.668 12.291 970 HH22 ARG 120 HH21 ARG 120 10.606 -3.562 12.699 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 18.520 1.920 4.054 2 H2 GLY 1 2H GLY 1 17.125 2.723 4.350 3 H3 GLY 1 3H GLY 1 17.705 2.637 2.805 4 HA2 GLY 1 HA3 GLY 1 15.834 1.115 3.174 5 HA3 GLY 1 HA2 GLY 1 17.338 0.284 2.718 6 H SER 2 H SER 2 15.042 -0.654 4.322 7 HA SER 2 HA SER 2 16.228 -1.900 6.654 8 HB2 SER 2 HB1 SER 2 14.748 -0.637 8.274 9 HB3 SER 2 HB2 SER 2 16.137 0.286 7.646 10 HG SER 2 HG SER 2 13.455 0.435 6.707 11 H PHE 3 H PHE 3 15.182 -3.064 4.639 12 HA PHE 3 HA PHE 3 13.563 -4.045 3.394 13 HB2 PHE 3 HB1 PHE 3 11.567 -2.887 5.299 14 HB3 PHE 3 HB2 PHE 3 11.122 -3.350 3.629 15 HD1 PHE 3 HD1 PHE 3 12.945 -4.822 6.608 16 HD2 PHE 3 HD2 PHE 3 10.435 -5.502 3.161 17 HE1 PHE 3 HE1 PHE 3 12.761 -7.220 7.207 18 HE2 PHE 3 HE2 PHE 3 10.291 -7.906 3.751 19 HZ PHE 3 HZ PHE 3 11.456 -8.766 5.768 20 H THR 4 H THR 4 12.459 -3.224 1.523 21 HA THR 4 HA THR 4 12.863 -0.579 0.529 22 HB THR 4 HB THR 4 15.038 -2.416 -0.463 23 HG1 THR 4 HG1 THR 4 16.362 -2.033 1.027 24 HG21 THR 4 HG21 THR 4 16.132 -0.268 -1.020 25 HG22 THR 4 HG22 THR 4 14.783 0.613 -0.255 26 HG23 THR 4 HG23 THR 4 14.499 -0.362 -1.705 27 H GLU 5 H GLU 5 13.132 -4.015 -0.124 28 HA GLU 5 HA GLU 5 11.336 -4.070 -2.428 29 HB2 GLU 5 HB1 GLU 5 12.124 -6.089 -0.289 30 HB3 GLU 5 HB2 GLU 5 10.961 -6.445 -1.590 31 HG2 GLU 5 HG1 GLU 5 12.695 -6.072 -3.277 32 HG3 GLU 5 HG2 GLU 5 13.866 -5.661 -2.013 33 H GLY 6 H GLY 6 9.156 -5.129 -2.072 34 HA2 GLY 6 HA3 GLY 6 7.622 -3.584 -0.102 35 HA3 GLY 6 HA2 GLY 6 6.982 -4.642 -1.380 36 H TRP 7 H TRP 7 6.060 -4.603 1.366 37 HA TRP 7 HA TRP 7 6.267 -7.422 1.811 38 HB2 TRP 7 HB1 TRP 7 7.125 -7.510 3.987 39 HB3 TRP 7 HB2 TRP 7 8.273 -6.595 3.024 40 HD1 TRP 7 HD TRP 7 6.278 -6.512 6.134 41 HE1 TRP 7 HE1 TRP 7 6.624 -4.351 7.440 42 HE3 TRP 7 3HE TRP 7 8.489 -3.715 2.460 43 HZ2 TRP 7 HZ2 TRP 7 7.745 -1.732 6.963 44 HZ3 TRP 7 HZ3 TRP 7 9.099 -1.362 2.880 45 HH2 TRP 7 HH TRP 7 8.753 -0.353 5.131 46 H VAL 8 H VAL 8 4.546 -8.303 2.838 47 HA VAL 8 HA VAL 8 2.286 -6.422 3.426 48 HB VAL 8 HB VAL 8 2.305 -9.398 2.896 49 HG11 VAL 8 HG11 VAL 8 -0.035 -7.570 3.639 50 HG12 VAL 8 HG12 VAL 8 -0.203 -9.216 2.995 51 HG13 VAL 8 HG13 VAL 8 0.555 -8.970 4.566 52 HG21 VAL 8 HG21 VAL 8 0.943 -8.664 0.904 53 HG22 VAL 8 HG22 VAL 8 1.188 -6.980 1.388 54 HG23 VAL 8 HG23 VAL 8 2.572 -7.978 0.900 55 H ARG 9 H ARG 9 1.480 -6.092 5.393 56 HA ARG 9 HA ARG 9 3.063 -6.904 7.675 57 HB2 ARG 9 HB1 ARG 9 2.218 -4.652 7.413 58 HB3 ARG 9 HB2 ARG 9 0.542 -5.249 7.425 59 HG2 ARG 9 HG1 ARG 9 0.749 -5.957 9.732 60 HG3 ARG 9 HG2 ARG 9 2.462 -5.501 9.759 61 HD2 ARG 9 HD1 ARG 9 1.937 -3.344 10.200 62 HD3 ARG 9 HD2 ARG 9 0.838 -3.263 8.811 63 HE ARG 9 HE ARG 9 -0.970 -3.686 10.204 64 HH11 ARG 9 HH12 ARG 9 2.030 -3.907 12.124 65 HH12 ARG 9 HH11 ARG 9 1.160 -4.320 13.559 66 HH21 ARG 9 HH22 ARG 9 -2.031 -4.192 12.150 67 HH22 ARG 9 HH21 ARG 9 -1.074 -4.363 13.594 68 H PHE 10 H PHE 10 2.834 -8.824 8.616 69 HA PHE 10 HA PHE 10 0.179 -10.018 9.166 70 HB2 PHE 10 HB1 PHE 10 1.873 -11.634 8.799 71 HB3 PHE 10 HB2 PHE 10 3.033 -10.781 9.828 72 HD1 PHE 10 HD2 PHE 10 -0.494 -12.126 10.257 73 HD2 PHE 10 HD1 PHE 10 3.504 -11.849 11.843 74 HE1 PHE 10 HE2 PHE 10 -1.208 -13.361 12.276 75 HE2 PHE 10 HE1 PHE 10 2.787 -13.093 13.858 76 HZ PHE 10 HZ PHE 10 0.432 -13.857 14.080 77 H SER 11 H SER 11 -0.811 -9.966 11.180 78 HA SER 11 HA SER 11 0.480 -9.229 13.574 79 HB2 SER 11 HB1 SER 11 -0.803 -7.061 12.066 80 HB3 SER 11 HB2 SER 11 -1.506 -7.265 13.686 81 HG SER 11 HG SER 11 1.268 -6.972 13.061 82 HA PRO 12 HA PRO 12 -3.218 -11.402 14.896 83 HB2 PRO 12 HB1 PRO 12 -2.941 -11.388 17.572 84 HB3 PRO 12 HB2 PRO 12 -1.701 -12.161 16.534 85 HG2 PRO 12 HG1 PRO 12 -1.647 -9.362 17.709 86 HG3 PRO 12 HG2 PRO 12 -0.361 -10.612 17.792 87 HD2 PRO 12 HD1 PRO 12 -0.413 -8.613 15.888 88 HD3 PRO 12 HD2 PRO 12 0.264 -10.236 15.571 89 H GLY 13 H GLY 13 -4.469 -9.575 13.875 90 HA2 GLY 13 HA3 GLY 13 -6.215 -8.325 15.874 91 HA3 GLY 13 HA2 GLY 13 -5.232 -7.184 14.928 92 HA PRO 14 HA PRO 14 -9.227 -8.056 12.641 93 HB2 PRO 14 HB1 PRO 14 -10.487 -5.667 12.905 94 HB3 PRO 14 HB2 PRO 14 -10.535 -6.902 14.199 95 HG2 PRO 14 HG1 PRO 14 -8.668 -4.518 13.979 96 HG3 PRO 14 HG2 PRO 14 -9.668 -5.008 15.393 97 HD2 PRO 14 HD1 PRO 14 -7.029 -5.704 15.161 98 HD3 PRO 14 HD2 PRO 14 -8.229 -6.808 15.895 99 H ASN 15 H ASN 15 -6.648 -5.638 12.498 100 HA ASN 15 HA ASN 15 -6.976 -5.567 9.604 101 HB2 ASN 15 HB1 ASN 15 -7.058 -3.223 9.409 102 HB3 ASN 15 HB2 ASN 15 -8.334 -3.709 10.539 103 HD21 ASN 15 HD21 ASN 15 -7.220 -1.062 10.166 104 HD22 ASN 15 HD22 ASN 15 -6.554 -0.624 11.727 105 H ALA 16 H ALA 16 -5.315 -4.502 8.446 106 HA ALA 16 HA ALA 16 -2.612 -4.388 9.517 107 HB1 ALA 16 HB1 ALA 16 -2.990 -6.826 9.361 108 HB2 ALA 16 HB2 ALA 16 -3.468 -6.649 7.655 109 HB3 ALA 16 HB3 ALA 16 -1.812 -6.286 8.171 110 H ALA 17 H ALA 17 -1.262 -4.742 7.053 111 HA ALA 17 HA ALA 17 -2.370 -2.707 5.273 112 HB1 ALA 17 HB1 ALA 17 0.298 -2.290 6.694 113 HB2 ALA 17 HB2 ALA 17 -0.445 -1.210 5.501 114 HB3 ALA 17 HB3 ALA 17 -1.202 -1.424 7.090 115 H ALA 18 H ALA 18 -1.485 -2.752 3.174 116 HA ALA 18 HA ALA 18 0.900 -4.546 2.771 117 HB1 ALA 18 HB1 ALA 18 -1.052 -5.187 1.378 118 HB2 ALA 18 HB2 ALA 18 -1.003 -3.578 0.617 119 HB3 ALA 18 HB3 ALA 18 0.366 -4.684 0.441 120 H TYR 19 H TYR 19 2.716 -3.536 2.792 121 HA TYR 19 HA TYR 19 3.064 -0.825 1.587 122 HB2 TYR 19 HB1 TYR 19 5.276 -2.306 2.928 123 HB3 TYR 19 HB2 TYR 19 4.962 -0.576 2.879 124 HD1 TYR 19 HD2 TYR 19 2.785 0.165 4.346 125 HD2 TYR 19 HD1 TYR 19 5.034 -3.456 4.867 126 HE1 TYR 19 HE2 TYR 19 2.132 0.106 6.747 127 HE2 TYR 19 HE1 TYR 19 4.480 -3.477 7.280 128 HH TYR 19 HH TYR 19 3.618 -2.354 8.999 129 H LEU 20 H LEU 20 4.647 -0.714 -0.228 130 HA LEU 20 HA LEU 20 5.787 -3.107 -1.224 131 HB2 LEU 20 HB1 LEU 20 4.341 -3.482 -3.219 132 HB3 LEU 20 HB2 LEU 20 3.712 -4.002 -1.643 133 HG LEU 20 HG LEU 20 2.514 -1.601 -1.756 134 HD11 LEU 20 HD11 LEU 20 2.885 -2.331 -4.694 135 HD12 LEU 20 HD12 LEU 20 3.517 -0.886 -3.887 136 HD13 LEU 20 HD13 LEU 20 1.775 -1.094 -4.061 137 HD21 LEU 20 HD21 LEU 20 0.542 -2.792 -2.664 138 HD22 LEU 20 HD22 LEU 20 1.413 -3.748 -1.466 139 HD23 LEU 20 HD23 LEU 20 1.599 -4.118 -3.190 140 H THR 21 H THR 21 6.829 -3.129 -3.122 141 HA THR 21 HA THR 21 7.683 -0.425 -4.043 142 HB THR 21 HB THR 21 9.356 -2.959 -3.708 143 HG1 THR 21 HG1 THR 21 10.248 -1.534 -2.060 144 HG21 THR 21 HG21 THR 21 10.161 -0.096 -4.392 145 HG22 THR 21 HG22 THR 21 10.216 -1.465 -5.536 146 HG23 THR 21 HG23 THR 21 11.264 -1.466 -4.112 147 H LEU 22 H LEU 22 7.920 -0.024 -6.115 148 HA LEU 22 HA LEU 22 7.803 -1.974 -8.261 149 HB2 LEU 22 HB1 LEU 22 5.348 -1.385 -7.285 150 HB3 LEU 22 HB2 LEU 22 5.548 -0.098 -8.493 151 HG LEU 22 HG LEU 22 6.426 -2.101 -10.036 152 HD11 LEU 22 HD11 LEU 22 5.306 -4.256 -9.522 153 HD12 LEU 22 HD12 LEU 22 4.778 -3.598 -7.954 154 HD13 LEU 22 HD13 LEU 22 6.505 -3.832 -8.290 155 HD21 LEU 22 HD21 LEU 22 4.145 -2.502 -10.790 156 HD22 LEU 22 HD22 LEU 22 4.494 -0.788 -10.477 157 HD23 LEU 22 HD23 LEU 22 3.527 -1.721 -9.305 158 H GLU 23 H GLU 23 7.445 -0.607 -10.421 159 HA GLU 23 HA GLU 23 8.163 2.172 -10.202 160 HB2 GLU 23 HB1 GLU 23 10.033 2.114 -11.744 161 HB3 GLU 23 HB2 GLU 23 10.415 1.157 -10.300 162 HG2 GLU 23 HG1 GLU 23 10.029 -0.918 -11.530 163 HG3 GLU 23 HG2 GLU 23 9.517 -0.008 -12.969 164 H ASN 24 H ASN 24 7.831 3.303 -12.146 165 HA ASN 24 HA ASN 24 6.109 1.935 -14.163 166 HB2 ASN 24 HB1 ASN 24 5.248 3.999 -13.209 167 HB3 ASN 24 HB2 ASN 24 6.725 4.862 -13.654 168 HD21 ASN 24 HD21 ASN 24 5.082 6.253 -14.709 169 HD22 ASN 24 HD22 ASN 24 4.650 5.828 -16.373 170 HA PRO 25 HA PRO 25 10.156 2.027 -16.355 171 HB2 PRO 25 HB1 PRO 25 9.812 -0.112 -17.985 172 HB3 PRO 25 HB2 PRO 25 10.163 -0.297 -16.239 173 HG2 PRO 25 HG1 PRO 25 7.442 -0.347 -17.590 174 HG3 PRO 25 HG2 PRO 25 8.128 -1.567 -16.461 175 HD2 PRO 25 HD1 PRO 25 6.472 0.423 -15.598 176 HD3 PRO 25 HD2 PRO 25 7.862 -0.129 -14.617 177 H GLY 26 H GLY 26 6.937 2.714 -17.348 178 HA2 GLY 26 HA3 GLY 26 7.425 2.910 -20.216 179 HA3 GLY 26 HA2 GLY 26 5.951 3.353 -19.325 180 H ASP 27 H ASP 27 6.597 4.958 -21.285 181 HA ASP 27 HA ASP 27 8.002 7.344 -20.198 182 HB2 ASP 27 HB1 ASP 27 7.307 6.470 -23.011 183 HB3 ASP 27 HB2 ASP 27 8.077 8.020 -22.588 184 H LEU 28 H LEU 28 4.970 6.252 -20.151 185 HA LEU 28 HA LEU 28 3.847 8.983 -19.933 186 HB2 LEU 28 HB1 LEU 28 1.655 8.130 -20.508 187 HB3 LEU 28 HB2 LEU 28 2.837 7.873 -21.819 188 HG LEU 28 HG LEU 28 2.969 5.440 -21.022 189 HD11 LEU 28 HD11 LEU 28 0.829 4.636 -19.880 190 HD12 LEU 28 HD12 LEU 28 0.513 6.329 -19.439 191 HD13 LEU 28 HD13 LEU 28 1.948 5.480 -18.824 192 HD21 LEU 28 HD21 LEU 28 1.758 6.175 -23.046 193 HD22 LEU 28 HD22 LEU 28 0.311 6.511 -22.069 194 HD23 LEU 28 HD23 LEU 28 0.908 4.845 -22.250 195 HA PRO 29 HA PRO 29 3.525 7.958 -15.745 196 HB2 PRO 29 HB1 PRO 29 1.402 9.303 -14.716 197 HB3 PRO 29 HB2 PRO 29 2.800 10.132 -15.461 198 HG2 PRO 29 HG1 PRO 29 0.129 9.489 -16.718 199 HG3 PRO 29 HG2 PRO 29 1.044 11.035 -16.781 200 HD2 PRO 29 HD1 PRO 29 1.094 9.114 -18.780 201 HD3 PRO 29 HD2 PRO 29 2.465 10.200 -18.466 202 H LEU 30 H LEU 30 2.386 6.764 -13.969 203 HA LEU 30 HA LEU 30 0.109 5.013 -14.827 204 HB2 LEU 30 HB1 LEU 30 2.116 4.495 -12.642 205 HB3 LEU 30 HB2 LEU 30 0.691 3.504 -13.022 206 HG LEU 30 HG LEU 30 3.070 4.017 -14.729 207 HD11 LEU 30 HD11 LEU 30 1.995 1.477 -13.474 208 HD12 LEU 30 HD12 LEU 30 3.371 2.416 -12.846 209 HD13 LEU 30 HD13 LEU 30 3.504 1.589 -14.416 210 HD21 LEU 30 HD21 LEU 30 2.252 2.352 -16.329 211 HD22 LEU 30 HD22 LEU 30 1.278 3.816 -16.299 212 HD23 LEU 30 HD23 LEU 30 0.678 2.342 -15.480 213 H ARG 31 H ARG 31 -1.495 4.756 -13.363 214 HA ARG 31 HA ARG 31 -1.582 6.450 -10.910 215 HB2 ARG 31 HB1 ARG 31 -2.719 7.693 -12.686 216 HB3 ARG 31 HB2 ARG 31 -3.788 6.301 -12.969 217 HG2 ARG 31 HG1 ARG 31 -5.004 6.677 -11.029 218 HG3 ARG 31 HG2 ARG 31 -3.661 7.506 -10.205 219 HD2 ARG 31 HD1 ARG 31 -5.613 8.966 -10.849 220 HD3 ARG 31 HD2 ARG 31 -3.998 9.505 -11.328 221 HE ARG 31 HE ARG 31 -6.049 8.270 -13.125 222 HH11 ARG 31 HH12 ARG 31 -3.250 10.524 -12.792 223 HH12 ARG 31 HH11 ARG 31 -3.132 10.740 -14.472 224 HH21 ARG 31 HH22 ARG 31 -5.880 8.732 -15.309 225 HH22 ARG 31 HH21 ARG 31 -4.683 9.876 -15.862 226 H LEU 32 H LEU 32 -1.938 5.295 -9.255 227 HA LEU 32 HA LEU 32 -2.926 2.495 -9.416 228 HB2 LEU 32 HB1 LEU 32 -0.648 2.890 -8.632 229 HB3 LEU 32 HB2 LEU 32 -1.225 4.080 -7.447 230 HG LEU 32 HG LEU 32 -2.440 2.183 -6.275 231 HD11 LEU 32 HD11 LEU 32 -2.513 0.567 -8.179 232 HD12 LEU 32 HD12 LEU 32 -1.693 -0.128 -6.783 233 HD13 LEU 32 HD13 LEU 32 -0.746 0.466 -8.162 234 HD21 LEU 32 HD21 LEU 32 -0.265 3.060 -5.503 235 HD22 LEU 32 HD22 LEU 32 0.590 1.988 -6.633 236 HD23 LEU 32 HD23 LEU 32 -0.320 1.305 -5.272 237 H VAL 33 H VAL 33 -5.017 2.295 -8.891 238 HA VAL 33 HA VAL 33 -6.350 4.394 -7.223 239 HB VAL 33 HB VAL 33 -8.446 3.747 -8.308 240 HG11 VAL 33 HG11 VAL 33 -7.030 5.501 -9.327 241 HG12 VAL 33 HG12 VAL 33 -6.244 4.277 -10.342 242 HG13 VAL 33 HG13 VAL 33 -7.976 4.622 -10.537 243 HG21 VAL 33 HG21 VAL 33 -7.935 1.329 -8.793 244 HG22 VAL 33 HG22 VAL 33 -8.555 2.212 -10.194 245 HG23 VAL 33 HG23 VAL 33 -6.826 1.862 -10.077 246 H GLY 34 H GLY 34 -5.323 1.121 -6.963 247 HA2 GLY 34 HA3 GLY 34 -6.451 0.763 -4.396 248 HA3 GLY 34 HA2 GLY 34 -7.462 -0.069 -5.599 249 H ALA 35 H ALA 35 -6.681 -1.824 -4.100 250 HA ALA 35 HA ALA 35 -4.695 -3.312 -5.583 251 HB1 ALA 35 HB1 ALA 35 -3.213 -2.585 -3.837 252 HB2 ALA 35 HB2 ALA 35 -4.482 -2.702 -2.592 253 HB3 ALA 35 HB3 ALA 35 -3.771 -4.160 -3.247 254 H ARG 36 H ARG 36 -4.765 -5.776 -4.630 255 HA ARG 36 HA ARG 36 -7.178 -6.507 -3.175 256 HB2 ARG 36 HB1 ARG 36 -8.574 -6.471 -4.903 257 HB3 ARG 36 HB2 ARG 36 -7.254 -6.218 -6.080 258 HG2 ARG 36 HG1 ARG 36 -8.274 -8.042 -6.881 259 HG3 ARG 36 HG2 ARG 36 -6.919 -8.748 -6.018 260 HD2 ARG 36 HD1 ARG 36 -8.357 -9.536 -4.256 261 HD3 ARG 36 HD2 ARG 36 -9.723 -8.590 -4.866 262 HE ARG 36 HE ARG 36 -8.426 -10.925 -6.206 263 HH11 ARG 36 HH12 ARG 36 -11.208 -8.739 -6.150 264 HH12 ARG 36 HH11 ARG 36 -11.882 -9.430 -7.594 265 HH21 ARG 36 HH22 ARG 36 -9.334 -11.732 -8.048 266 HH22 ARG 36 HH21 ARG 36 -10.885 -11.171 -8.605 267 H THR 37 H THR 37 -6.951 -8.624 -2.372 268 HA THR 37 HA THR 37 -4.829 -10.395 -3.427 269 HB THR 37 HB THR 37 -3.507 -9.123 -1.962 270 HG1 THR 37 HG1 THR 37 -3.027 -11.161 -1.696 271 HG21 THR 37 HG21 THR 37 -5.188 -7.974 -0.574 272 HG22 THR 37 HG22 THR 37 -3.983 -8.784 0.420 273 HG23 THR 37 HG23 THR 37 -5.593 -9.513 0.222 274 HA PRO 38 HA PRO 38 -7.945 -13.358 -1.869 275 HB2 PRO 38 HB1 PRO 38 -6.400 -15.502 -1.087 276 HB3 PRO 38 HB2 PRO 38 -6.804 -15.086 -2.783 277 HG2 PRO 38 HG1 PRO 38 -4.282 -14.377 -1.287 278 HG3 PRO 38 HG2 PRO 38 -4.440 -15.166 -2.903 279 HD2 PRO 38 HD1 PRO 38 -4.058 -12.496 -2.727 280 HD3 PRO 38 HD2 PRO 38 -5.242 -13.166 -3.888 281 H VAL 39 H VAL 39 -5.326 -12.195 0.048 282 HA VAL 39 HA VAL 39 -6.407 -13.338 2.518 283 HB VAL 39 HB VAL 39 -4.538 -12.748 3.670 284 HG11 VAL 39 HG11 VAL 39 -4.247 -14.456 1.854 285 HG12 VAL 39 HG12 VAL 39 -3.506 -13.203 0.840 286 HG13 VAL 39 HG13 VAL 39 -2.749 -13.675 2.376 287 HG21 VAL 39 HG21 VAL 39 -2.792 -11.195 3.007 288 HG22 VAL 39 HG22 VAL 39 -3.685 -10.767 1.539 289 HG23 VAL 39 HG23 VAL 39 -4.323 -10.334 3.135 290 H ALA 40 H ALA 40 -7.636 -10.617 1.032 291 HA ALA 40 HA ALA 40 -8.215 -9.327 3.689 292 HB1 ALA 40 HB1 ALA 40 -7.774 -7.135 2.711 293 HB2 ALA 40 HB2 ALA 40 -6.327 -8.164 2.613 294 HB3 ALA 40 HB3 ALA 40 -7.328 -7.886 1.165 295 H GLU 41 H GLU 41 -10.132 -8.359 3.998 296 HA GLU 41 HA GLU 41 -12.275 -8.873 2.042 297 HB2 GLU 41 HB1 GLU 41 -12.213 -9.299 4.644 298 HB3 GLU 41 HB2 GLU 41 -12.701 -7.606 4.761 299 HG2 GLU 41 HG1 GLU 41 -14.697 -8.870 4.829 300 HG3 GLU 41 HG2 GLU 41 -14.644 -8.166 3.210 301 H ARG 42 H ARG 42 -11.759 -5.983 4.149 302 HA ARG 42 HA ARG 42 -12.514 -4.149 1.954 303 HB2 ARG 42 HB1 ARG 42 -13.271 -3.690 4.252 304 HB3 ARG 42 HB2 ARG 42 -11.572 -3.691 4.795 305 HG2 ARG 42 HG1 ARG 42 -11.193 -1.745 3.201 306 HG3 ARG 42 HG2 ARG 42 -12.947 -1.644 3.009 307 HD2 ARG 42 HD1 ARG 42 -11.449 -1.481 5.661 308 HD3 ARG 42 HD2 ARG 42 -11.988 -0.075 4.753 309 HE ARG 42 HE ARG 42 -13.660 -2.045 6.213 310 HH11 ARG 42 HH12 ARG 42 -13.592 0.977 4.303 311 HH12 ARG 42 HH11 ARG 42 -15.187 1.419 4.785 312 HH21 ARG 42 HH22 ARG 42 -15.699 -1.338 6.868 313 HH22 ARG 42 HH21 ARG 42 -16.366 0.121 6.190 314 H VAL 43 H VAL 43 -11.016 -3.391 0.594 315 HA VAL 43 HA VAL 43 -8.248 -2.898 1.556 316 HB VAL 43 HB VAL 43 -8.167 -4.713 0.001 317 HG11 VAL 43 HG11 VAL 43 -10.261 -4.160 -1.313 318 HG12 VAL 43 HG12 VAL 43 -9.304 -2.946 -2.189 319 HG13 VAL 43 HG13 VAL 43 -8.871 -4.670 -2.263 320 HG21 VAL 43 HG21 VAL 43 -6.475 -3.888 -1.494 321 HG22 VAL 43 HG22 VAL 43 -7.059 -2.216 -1.342 322 HG23 VAL 43 HG23 VAL 43 -6.328 -3.041 0.052 323 H GLU 44 H GLU 44 -7.649 -0.831 1.523 324 HA GLU 44 HA GLU 44 -8.875 1.166 -0.352 325 HB2 GLU 44 HB1 GLU 44 -8.641 1.375 2.676 326 HB3 GLU 44 HB2 GLU 44 -8.938 2.763 1.599 327 HG2 GLU 44 HG1 GLU 44 -11.065 1.816 0.909 328 HG3 GLU 44 HG2 GLU 44 -10.776 0.364 1.891 329 H LEU 45 H LEU 45 -7.212 2.571 -1.216 330 HA LEU 45 HA LEU 45 -4.566 2.458 -0.025 331 HB2 LEU 45 HB1 LEU 45 -5.141 2.651 -2.518 332 HB3 LEU 45 HB2 LEU 45 -5.499 4.351 -2.220 333 HG LEU 45 HG LEU 45 -2.859 3.114 -1.307 334 HD11 LEU 45 HD11 LEU 45 -1.836 3.674 -3.383 335 HD12 LEU 45 HD12 LEU 45 -3.383 4.321 -4.039 336 HD13 LEU 45 HD13 LEU 45 -3.212 2.603 -3.714 337 HD21 LEU 45 HD21 LEU 45 -3.477 5.901 -2.362 338 HD22 LEU 45 HD22 LEU 45 -1.945 5.344 -1.655 339 HD23 LEU 45 HD23 LEU 45 -3.374 5.510 -0.632 340 H HIS 46 H HIS 46 -3.925 3.570 1.529 341 HA HIS 46 HA HIS 46 -5.122 6.189 2.297 342 HB2 HIS 46 HB1 HIS 46 -3.894 3.978 3.962 343 HB3 HIS 46 HB2 HIS 46 -4.115 5.622 4.583 344 HD2 HIS 46 HD2 HIS 46 -7.082 4.175 2.575 345 HE1 HIS 46 HE1 HIS 46 -8.162 3.999 6.657 346 HE2 HIS 46 HE2 HIS 46 -8.975 3.597 4.266 347 H GLU 47 H GLU 47 -3.758 7.756 3.153 348 HA GLU 47 HA GLU 47 -0.864 7.583 2.411 349 HB2 GLU 47 HB1 GLU 47 -0.863 9.932 1.985 350 HB3 GLU 47 HB2 GLU 47 -2.053 9.141 0.939 351 HG2 GLU 47 HG1 GLU 47 -3.872 10.062 2.123 352 HG3 GLU 47 HG2 GLU 47 -2.888 10.450 3.551 353 H THR 48 H THR 48 0.271 9.548 3.646 354 HA THR 48 HA THR 48 -0.726 9.858 6.444 355 HB THR 48 HB THR 48 2.210 9.477 5.708 356 HG1 THR 48 HG1 THR 48 0.195 7.783 6.088 357 HG21 THR 48 HG21 THR 48 2.449 9.212 8.179 358 HG22 THR 48 HG22 THR 48 0.724 9.592 8.380 359 HG23 THR 48 HG23 THR 48 1.843 10.819 7.752 360 H PHE 49 H PHE 49 -1.126 11.914 6.699 361 HA PHE 49 HA PHE 49 0.619 13.965 5.391 362 HB2 PHE 49 HB1 PHE 49 -1.307 15.429 5.352 363 HB3 PHE 49 HB2 PHE 49 -1.669 13.926 4.490 364 HD1 PHE 49 HD2 PHE 49 -2.432 15.973 7.496 365 HD2 PHE 49 HD1 PHE 49 -3.324 12.348 5.354 366 HE1 PHE 49 HE2 PHE 49 -4.401 15.611 8.946 367 HE2 PHE 49 HE1 PHE 49 -5.282 11.979 6.795 368 HZ PHE 49 HZ PHE 49 -5.837 13.620 8.596 369 H MET 50 H MET 50 0.358 16.133 6.654 370 HA MET 50 HA MET 50 -0.365 15.828 9.448 371 HB2 MET 50 HB1 MET 50 1.575 16.893 10.408 372 HB3 MET 50 HB2 MET 50 2.031 15.403 9.550 373 HG2 MET 50 HG1 MET 50 2.825 16.759 7.648 374 HG3 MET 50 HG2 MET 50 2.398 18.240 8.526 375 HE1 MET 50 HE1 MET 50 4.273 14.835 9.572 376 HE2 MET 50 HE2 MET 50 4.899 15.370 7.994 377 HE3 MET 50 HE3 MET 50 5.938 15.427 9.429 378 H ARG 51 H ARG 51 -1.602 17.465 10.112 379 HA ARG 51 HA ARG 51 -1.562 20.039 8.616 380 HB2 ARG 51 HB1 ARG 51 -3.214 18.303 7.722 381 HB3 ARG 51 HB2 ARG 51 -4.110 18.504 9.234 382 HG2 ARG 51 HG1 ARG 51 -4.366 20.927 8.746 383 HG3 ARG 51 HG2 ARG 51 -3.406 20.729 7.257 384 HD2 ARG 51 HD1 ARG 51 -5.126 19.123 6.411 385 HD3 ARG 51 HD2 ARG 51 -6.086 19.440 7.876 386 HE ARG 51 HE ARG 51 -6.179 21.816 7.152 387 HH11 ARG 51 HH12 ARG 51 -5.509 19.467 4.575 388 HH12 ARG 51 HH11 ARG 51 -5.940 20.590 3.323 389 HH21 ARG 51 HH22 ARG 51 -6.669 23.211 5.487 390 HH22 ARG 51 HH21 ARG 51 -6.563 22.695 3.837 391 H GLU 52 H GLU 52 -2.448 21.769 9.627 392 HA GLU 52 HA GLU 52 -2.219 22.105 12.450 393 HB2 GLU 52 HB1 GLU 52 -2.900 24.238 12.292 394 HB3 GLU 52 HB2 GLU 52 -1.383 23.762 11.524 395 HG2 GLU 52 HG1 GLU 52 -3.915 23.615 9.930 396 HG3 GLU 52 HG2 GLU 52 -3.160 25.143 10.432 397 H VAL 53 H VAL 53 -3.628 22.320 13.985 398 HA VAL 53 HA VAL 53 -6.533 22.237 13.510 399 HB VAL 53 HB VAL 53 -6.063 20.018 13.874 400 HG11 VAL 53 HG11 VAL 53 -5.042 19.025 15.721 401 HG12 VAL 53 HG12 VAL 53 -3.951 20.305 15.160 402 HG13 VAL 53 HG13 VAL 53 -4.938 20.545 16.618 403 HG21 VAL 53 HG21 VAL 53 -7.588 19.545 15.729 404 HG22 VAL 53 HG22 VAL 53 -7.384 21.191 16.358 405 HG23 VAL 53 HG23 VAL 53 -8.171 20.928 14.786 406 H GLU 54 H GLU 54 -5.009 22.149 16.568 407 HA GLU 54 HA GLU 54 -5.792 24.846 17.397 408 HB2 GLU 54 HB1 GLU 54 -3.850 22.886 18.643 409 HB3 GLU 54 HB2 GLU 54 -4.568 24.277 19.454 410 HG2 GLU 54 HG1 GLU 54 -6.646 23.174 19.725 411 HG3 GLU 54 HG2 GLU 54 -6.283 21.962 18.475 412 H GLY 55 H GLY 55 -4.311 25.087 15.028 413 HA2 GLY 55 HA3 GLY 55 -2.518 26.164 14.059 414 HA3 GLY 55 HA2 GLY 55 -1.933 26.592 15.682 415 H LYS 56 H LYS 56 -1.578 23.948 16.706 416 HA LYS 56 HA LYS 56 0.956 23.163 15.694 417 HB2 LYS 56 HB1 LYS 56 0.793 21.362 17.284 418 HB3 LYS 56 HB2 LYS 56 0.125 22.827 18.017 419 HG2 LYS 56 HG1 LYS 56 -2.174 21.967 17.441 420 HG3 LYS 56 HG2 LYS 56 -1.409 20.461 16.872 421 HD2 LYS 56 HD1 LYS 56 -2.275 20.011 19.002 422 HD3 LYS 56 HD2 LYS 56 -0.526 20.084 19.183 423 HE2 LYS 56 HE1 LYS 56 -0.637 22.074 20.439 424 HE3 LYS 56 HE2 LYS 56 -2.176 22.571 19.667 425 HZ1 LYS 56 HZ1 LYS 56 -2.779 21.905 21.813 426 HZ2 LYS 56 HZ2 LYS 56 -1.894 20.484 21.758 427 HZ3 LYS 56 HZ3 LYS 56 -3.250 20.760 20.855 428 H LYS 57 H LYS 57 1.599 21.674 14.179 429 HA LYS 57 HA LYS 57 -0.507 20.611 12.398 430 HB2 LYS 57 HB1 LYS 57 2.477 20.867 12.020 431 HB3 LYS 57 HB2 LYS 57 1.363 20.136 10.837 432 HG2 LYS 57 HG1 LYS 57 0.126 22.269 10.686 433 HG3 LYS 57 HG2 LYS 57 1.239 23.005 11.865 434 HD2 LYS 57 HD1 LYS 57 2.063 23.770 9.838 435 HD3 LYS 57 HD2 LYS 57 3.109 22.381 10.192 436 HE2 LYS 57 HE1 LYS 57 2.622 22.058 7.941 437 HE3 LYS 57 HE2 LYS 57 1.389 21.047 8.697 438 HZ1 LYS 57 HZ1 LYS 57 0.477 22.523 6.939 439 HZ2 LYS 57 HZ2 LYS 57 0.924 23.859 7.811 440 HZ3 LYS 57 HZ3 LYS 57 -0.201 22.906 8.363 441 H VAL 58 H VAL 58 -1.342 18.723 12.983 442 HA VAL 58 HA VAL 58 0.301 16.690 14.413 443 HB VAL 58 HB VAL 58 -2.713 16.856 14.132 444 HG11 VAL 58 HG11 VAL 58 -2.698 15.317 16.115 445 HG12 VAL 58 HG12 VAL 58 -1.968 14.580 14.691 446 HG13 VAL 58 HG13 VAL 58 -0.927 15.208 15.988 447 HG21 VAL 58 HG21 VAL 58 -0.925 17.810 16.411 448 HG22 VAL 58 HG22 VAL 58 -1.979 18.806 15.383 449 HG23 VAL 58 HG23 VAL 58 -2.693 17.655 16.506 450 H MET 59 H MET 59 0.503 14.605 13.650 451 HA MET 59 HA MET 59 0.180 14.144 10.805 452 HB2 MET 59 HB1 MET 59 1.169 12.301 13.005 453 HB3 MET 59 HB2 MET 59 1.374 12.075 11.246 454 HG2 MET 59 HG1 MET 59 3.438 12.872 11.940 455 HG3 MET 59 HG2 MET 59 2.647 14.294 11.274 456 HE1 MET 59 HE1 MET 59 4.355 16.431 13.822 457 HE2 MET 59 HE2 MET 59 4.905 15.373 12.503 458 HE3 MET 59 HE3 MET 59 3.470 16.411 12.292 459 H GLY 60 H GLY 60 -0.945 12.364 9.800 460 HA2 GLY 60 HA3 GLY 60 -2.535 10.520 11.322 461 HA3 GLY 60 HA2 GLY 60 -3.561 11.796 10.628 462 H MET 61 H MET 61 -3.837 9.066 10.042 463 HA MET 61 HA MET 61 -3.060 8.885 7.165 464 HB2 MET 61 HB1 MET 61 -3.702 6.716 9.196 465 HB3 MET 61 HB2 MET 61 -3.562 6.441 7.431 466 HG2 MET 61 HG1 MET 61 -1.528 5.762 8.309 467 HG3 MET 61 HG2 MET 61 -1.223 7.327 7.565 468 HE1 MET 61 HE1 MET 61 1.126 7.081 8.743 469 HE2 MET 61 HE2 MET 61 1.353 6.943 10.500 470 HE3 MET 61 HE3 MET 61 0.630 5.601 9.580 471 H ARG 62 H ARG 62 -4.611 8.649 5.655 472 HA ARG 62 HA ARG 62 -7.371 7.921 6.312 473 HB2 ARG 62 HB1 ARG 62 -6.655 10.667 5.213 474 HB3 ARG 62 HB2 ARG 62 -8.268 9.942 5.008 475 HG2 ARG 62 HG1 ARG 62 -8.446 9.795 7.510 476 HG3 ARG 62 HG2 ARG 62 -6.932 10.728 7.616 477 HD2 ARG 62 HD1 ARG 62 -8.394 12.463 7.763 478 HD3 ARG 62 HD2 ARG 62 -8.240 12.395 6.010 479 HE ARG 62 HE ARG 62 -10.391 10.810 7.305 480 HH11 ARG 62 HH12 ARG 62 -9.673 13.700 5.409 481 HH12 ARG 62 HH11 ARG 62 -11.355 14.095 5.196 482 HH21 ARG 62 HH22 ARG 62 -12.546 11.331 6.926 483 HH22 ARG 62 HH21 ARG 62 -12.952 12.749 6.008 484 HA PRO 63 HA PRO 63 -7.050 6.367 2.133 485 HB2 PRO 63 HB1 PRO 63 -9.644 6.426 1.231 486 HB3 PRO 63 HB2 PRO 63 -8.977 5.150 2.267 487 HG2 PRO 63 HG1 PRO 63 -10.614 7.518 3.038 488 HG3 PRO 63 HG2 PRO 63 -10.667 5.866 3.722 489 HD2 PRO 63 HD1 PRO 63 -9.428 8.033 4.929 490 HD3 PRO 63 HD2 PRO 63 -8.884 6.355 5.168 491 H VAL 64 H VAL 64 -7.001 7.006 0.021 492 HA VAL 64 HA VAL 64 -7.823 9.794 -0.680 493 HB VAL 64 HB VAL 64 -5.765 9.545 -2.348 494 HG11 VAL 64 HG11 VAL 64 -4.393 10.867 -0.778 495 HG12 VAL 64 HG12 VAL 64 -6.084 11.397 -0.837 496 HG13 VAL 64 HG13 VAL 64 -5.509 10.433 0.541 497 HG21 VAL 64 HG21 VAL 64 -3.786 8.520 -1.434 498 HG22 VAL 64 HG22 VAL 64 -4.642 8.008 0.029 499 HG23 VAL 64 HG23 VAL 64 -5.071 7.298 -1.545 500 HA PRO 65 HA PRO 65 -9.835 7.848 -4.054 501 HB2 PRO 65 HB1 PRO 65 -9.693 9.643 -6.112 502 HB3 PRO 65 HB2 PRO 65 -10.658 9.930 -4.635 503 HG2 PRO 65 HG1 PRO 65 -7.841 10.894 -5.226 504 HG3 PRO 65 HG2 PRO 65 -9.242 11.868 -4.648 505 HD2 PRO 65 HD1 PRO 65 -7.382 10.904 -2.916 506 HD3 PRO 65 HD2 PRO 65 -9.116 10.902 -2.481 507 H PHE 66 H PHE 66 -6.423 8.626 -4.423 508 HA PHE 66 HA PHE 66 -5.740 6.268 -5.697 509 HB2 PHE 66 HB1 PHE 66 -5.007 7.020 -7.905 510 HB3 PHE 66 HB2 PHE 66 -6.759 7.002 -7.738 511 HD1 PHE 66 HD2 PHE 66 -3.762 9.197 -8.001 512 HD2 PHE 66 HD1 PHE 66 -8.067 8.999 -8.007 513 HE1 PHE 66 HE2 PHE 66 -3.861 11.485 -8.935 514 HE2 PHE 66 HE1 PHE 66 -8.166 11.299 -8.926 515 HZ PHE 66 HZ PHE 66 -6.060 12.548 -9.398 516 H LEU 67 H LEU 67 -3.503 6.272 -6.394 517 HA LEU 67 HA LEU 67 -1.829 8.607 -5.654 518 HB2 LEU 67 HB1 LEU 67 -1.476 5.720 -5.049 519 HB3 LEU 67 HB2 LEU 67 -0.089 6.426 -5.910 520 HG LEU 67 HG LEU 67 -1.216 7.270 -3.218 521 HD11 LEU 67 HD11 LEU 67 0.189 5.219 -3.263 522 HD12 LEU 67 HD12 LEU 67 1.160 6.547 -2.592 523 HD13 LEU 67 HD13 LEU 67 1.409 6.052 -4.262 524 HD21 LEU 67 HD21 LEU 67 -0.438 9.347 -4.263 525 HD22 LEU 67 HD22 LEU 67 1.023 8.542 -4.885 526 HD23 LEU 67 HD23 LEU 67 0.805 8.813 -3.145 527 H GLU 68 H GLU 68 0.168 8.662 -7.187 528 HA GLU 68 HA GLU 68 -0.066 7.182 -9.617 529 HB2 GLU 68 HB1 GLU 68 -0.972 8.479 -11.080 530 HB3 GLU 68 HB2 GLU 68 -1.761 9.257 -9.717 531 HG2 GLU 68 HG1 GLU 68 -0.216 11.121 -9.833 532 HG3 GLU 68 HG2 GLU 68 0.799 10.270 -11.018 533 H VAL 69 H VAL 69 1.554 7.805 -11.225 534 HA VAL 69 HA VAL 69 4.113 8.359 -9.824 535 HB VAL 69 HB VAL 69 3.601 5.823 -11.458 536 HG11 VAL 69 HG11 VAL 69 5.867 6.677 -9.622 537 HG12 VAL 69 HG12 VAL 69 5.683 5.032 -10.278 538 HG13 VAL 69 HG13 VAL 69 5.946 6.391 -11.365 539 HG21 VAL 69 HG21 VAL 69 3.420 6.113 -8.443 540 HG22 VAL 69 HG22 VAL 69 2.163 5.542 -9.559 541 HG23 VAL 69 HG23 VAL 69 3.603 4.561 -9.295 542 HA PRO 70 HA PRO 70 4.830 10.013 -13.952 543 HB2 PRO 70 HB1 PRO 70 7.395 10.894 -13.720 544 HB3 PRO 70 HB2 PRO 70 6.015 11.712 -12.931 545 HG2 PRO 70 HG1 PRO 70 7.917 9.677 -11.718 546 HG3 PRO 70 HG2 PRO 70 7.435 11.273 -11.039 547 HD2 PRO 70 HD1 PRO 70 6.220 8.939 -10.279 548 HD3 PRO 70 HD2 PRO 70 5.299 10.463 -10.437 549 HA PRO 71 HA PRO 71 7.013 6.785 -16.178 550 HB2 PRO 71 HB1 PRO 71 8.333 8.268 -18.122 551 HB3 PRO 71 HB2 PRO 71 6.642 7.671 -18.159 552 HG2 PRO 71 HG1 PRO 71 7.640 10.419 -17.556 553 HG3 PRO 71 HG2 PRO 71 6.096 9.904 -18.347 554 HD2 PRO 71 HD1 PRO 71 6.300 10.736 -15.722 555 HD3 PRO 71 HD2 PRO 71 5.035 9.644 -16.326 556 H LYS 72 H LYS 72 8.821 5.681 -16.007 557 HA LYS 72 HA LYS 72 10.847 4.972 -15.320 558 HB2 LYS 72 HB1 LYS 72 11.781 7.845 -15.547 559 HB3 LYS 72 HB2 LYS 72 12.807 6.401 -15.504 560 HG2 LYS 72 HG1 LYS 72 10.725 6.885 -17.668 561 HG3 LYS 72 HG2 LYS 72 12.404 7.477 -17.743 562 HD2 LYS 72 HD1 LYS 72 13.251 5.192 -17.684 563 HD3 LYS 72 HD2 LYS 72 11.626 4.532 -17.450 564 HE2 LYS 72 HE1 LYS 72 12.284 6.247 -19.865 565 HE3 LYS 72 HE2 LYS 72 12.685 4.517 -19.855 566 HZ1 LYS 72 HZ1 LYS 72 9.960 5.548 -19.345 567 HZ2 LYS 72 HZ2 LYS 72 10.384 3.991 -19.615 568 HZ3 LYS 72 HZ3 LYS 72 10.477 5.116 -20.822 569 H GLY 73 H GLY 73 8.883 6.566 -13.496 570 HA2 GLY 73 HA3 GLY 73 10.454 7.143 -11.113 571 HA3 GLY 73 HA2 GLY 73 8.684 7.217 -11.272 572 H ARG 74 H ARG 74 11.265 5.637 -10.044 573 HA ARG 74 HA ARG 74 9.845 3.174 -9.344 574 HB2 ARG 74 HB1 ARG 74 11.747 2.267 -8.701 575 HB3 ARG 74 HB2 ARG 74 12.524 3.660 -9.467 576 HG2 ARG 74 HG1 ARG 74 13.633 3.562 -7.474 577 HG3 ARG 74 HG2 ARG 74 12.377 4.717 -7.053 578 HD2 ARG 74 HD1 ARG 74 11.081 2.639 -6.131 579 HD3 ARG 74 HD2 ARG 74 12.614 1.766 -6.314 580 HE ARG 74 HE ARG 74 12.919 4.257 -4.871 581 HH11 ARG 74 HH12 ARG 74 11.965 0.864 -4.280 582 HH12 ARG 74 HH11 ARG 74 12.174 1.072 -2.547 583 HH21 ARG 74 HH22 ARG 74 13.118 4.336 -2.583 584 HH22 ARG 74 HH21 ARG 74 12.777 2.865 -1.683 585 H VAL 75 H VAL 75 8.789 2.680 -7.515 586 HA VAL 75 HA VAL 75 8.327 4.856 -5.508 587 HB VAL 75 HB VAL 75 5.912 4.178 -5.502 588 HG11 VAL 75 HG11 VAL 75 6.743 6.256 -6.512 589 HG12 VAL 75 HG12 VAL 75 6.976 5.419 -8.059 590 HG13 VAL 75 HG13 VAL 75 5.343 5.617 -7.379 591 HG21 VAL 75 HG21 VAL 75 6.096 2.003 -6.717 592 HG22 VAL 75 HG22 VAL 75 4.916 3.105 -7.443 593 HG23 VAL 75 HG23 VAL 75 6.500 2.890 -8.206 594 H GLU 76 H GLU 76 7.339 4.193 -3.532 595 HA GLU 76 HA GLU 76 7.739 1.430 -2.615 596 HB2 GLU 76 HB1 GLU 76 9.955 2.576 -2.702 597 HB3 GLU 76 HB2 GLU 76 9.341 3.833 -1.623 598 HG2 GLU 76 HG1 GLU 76 8.941 2.073 0.117 599 HG3 GLU 76 HG2 GLU 76 9.605 0.867 -1.016 600 H LEU 77 H LEU 77 5.586 1.425 -2.082 601 HA LEU 77 HA LEU 77 4.315 3.377 -0.325 602 HB2 LEU 77 HB1 LEU 77 3.610 0.672 -1.466 603 HB3 LEU 77 HB2 LEU 77 2.730 1.291 -0.042 604 HG LEU 77 HG LEU 77 2.220 3.376 -1.403 605 HD11 LEU 77 HD11 LEU 77 2.236 3.121 -3.887 606 HD12 LEU 77 HD12 LEU 77 3.202 1.640 -3.711 607 HD13 LEU 77 HD13 LEU 77 3.860 3.214 -3.205 608 HD21 LEU 77 HD21 LEU 77 1.114 0.723 -2.387 609 HD22 LEU 77 HD22 LEU 77 0.349 2.314 -2.603 610 HD23 LEU 77 HD23 LEU 77 0.544 1.648 -0.979 611 H LYS 78 H LYS 78 4.056 3.240 1.790 612 HA LYS 78 HA LYS 78 5.620 1.456 3.511 613 HB2 LYS 78 HB1 LYS 78 7.143 3.277 4.169 614 HB3 LYS 78 HB2 LYS 78 7.312 2.813 2.463 615 HG2 LYS 78 HG1 LYS 78 5.944 4.833 1.840 616 HG3 LYS 78 HG2 LYS 78 5.875 5.262 3.571 617 HD2 LYS 78 HD1 LYS 78 7.614 6.596 2.576 618 HD3 LYS 78 HD2 LYS 78 8.388 5.355 3.580 619 HE2 LYS 78 HE1 LYS 78 8.523 3.948 1.420 620 HE3 LYS 78 HE2 LYS 78 8.075 5.406 0.534 621 HZ1 LYS 78 HZ1 LYS 78 10.417 5.200 2.333 622 HZ2 LYS 78 HZ2 LYS 78 10.109 6.414 1.237 623 HZ3 LYS 78 HZ3 LYS 78 10.493 4.865 0.771 624 HA PRO 79 HA PRO 79 2.615 2.633 6.491 625 HB2 PRO 79 HB1 PRO 79 4.023 2.932 8.874 626 HB3 PRO 79 HB2 PRO 79 3.539 1.378 8.140 627 HG2 PRO 79 HG1 PRO 79 6.196 2.789 7.953 628 HG3 PRO 79 HG2 PRO 79 5.874 1.034 8.203 629 HD2 PRO 79 HD1 PRO 79 6.551 2.024 5.763 630 HD3 PRO 79 HD2 PRO 79 5.335 0.727 5.926 631 H GLY 80 H GLY 80 5.420 4.717 7.534 632 HA2 GLY 80 HA3 GLY 80 3.723 7.116 7.528 633 HA3 GLY 80 HA2 GLY 80 5.477 7.040 7.815 634 H GLY 81 H GLY 81 2.928 7.244 5.432 635 HA2 GLY 81 HA3 GLY 81 4.094 8.557 3.329 636 HA3 GLY 81 HA2 GLY 81 4.639 6.879 3.103 637 H TYR 82 H TYR 82 3.154 5.296 2.472 638 HA TYR 82 HA TYR 82 0.363 5.963 1.872 639 HB2 TYR 82 HB1 TYR 82 2.323 5.424 -0.387 640 HB3 TYR 82 HB2 TYR 82 0.575 5.667 -0.531 641 HD1 TYR 82 HD1 TYR 82 -0.401 7.926 -0.245 642 HD2 TYR 82 HD2 TYR 82 3.857 7.267 -0.088 643 HE1 TYR 82 HE1 TYR 82 -0.033 10.379 -0.272 644 HE2 TYR 82 HE2 TYR 82 4.243 9.709 -0.035 645 HH TYR 82 HH TYR 82 1.487 12.021 0.030 646 H HIS 83 H HIS 83 -0.888 4.009 1.691 647 HA HIS 83 HA HIS 83 0.408 1.420 1.257 648 HB2 HIS 83 HB1 HIS 83 0.022 0.639 3.604 649 HB3 HIS 83 HB2 HIS 83 1.402 1.729 3.359 650 HD1 HIS 83 HD1 HIS 83 1.257 4.141 4.545 651 HD2 HIS 83 HD2 HIS 83 -2.007 1.549 5.144 652 HE1 HIS 83 HE1 HIS 83 -0.188 5.198 6.347 653 H PHE 84 H PHE 84 -1.147 -0.402 1.761 654 HA PHE 84 HA PHE 84 -3.941 0.523 1.221 655 HB2 PHE 84 HB1 PHE 84 -2.604 -2.152 0.766 656 HB3 PHE 84 HB2 PHE 84 -4.322 -1.795 0.484 657 HD1 PHE 84 HD2 PHE 84 -4.926 0.039 -1.175 658 HD2 PHE 84 HD1 PHE 84 -0.968 -1.651 -0.903 659 HE1 PHE 84 HE2 PHE 84 -4.446 0.755 -3.494 660 HE2 PHE 84 HE1 PHE 84 -0.486 -0.881 -3.224 661 HZ PHE 84 HZ PHE 84 -2.254 0.282 -4.526 662 H MET 85 H MET 85 -5.247 0.557 2.934 663 HA MET 85 HA MET 85 -4.703 -0.980 5.386 664 HB2 MET 85 HB1 MET 85 -6.762 0.977 4.455 665 HB3 MET 85 HB2 MET 85 -7.276 -0.205 5.690 666 HG2 MET 85 HG1 MET 85 -4.872 1.618 5.949 667 HG3 MET 85 HG2 MET 85 -6.481 1.901 6.667 668 HE1 MET 85 HE1 MET 85 -3.240 -0.243 6.671 669 HE2 MET 85 HE2 MET 85 -3.109 1.189 7.712 670 HE3 MET 85 HE3 MET 85 -3.076 -0.443 8.426 671 H LEU 86 H LEU 86 -5.263 -2.945 5.816 672 HA LEU 86 HA LEU 86 -7.217 -4.392 4.061 673 HB2 LEU 86 HB1 LEU 86 -4.955 -5.563 5.720 674 HB3 LEU 86 HB2 LEU 86 -5.983 -6.419 4.562 675 HG LEU 86 HG LEU 86 -3.845 -4.330 3.938 676 HD11 LEU 86 HD11 LEU 86 -3.940 -7.322 3.388 677 HD12 LEU 86 HD12 LEU 86 -2.959 -6.515 4.632 678 HD13 LEU 86 HD13 LEU 86 -2.639 -6.208 2.917 679 HD21 LEU 86 HD21 LEU 86 -5.661 -4.152 2.260 680 HD22 LEU 86 HD22 LEU 86 -5.561 -5.898 1.962 681 HD23 LEU 86 HD23 LEU 86 -4.196 -4.840 1.557 682 H LEU 87 H LEU 87 -9.139 -4.507 5.162 683 HA LEU 87 HA LEU 87 -9.048 -4.790 8.157 684 HB2 LEU 87 HB1 LEU 87 -9.942 -2.603 6.762 685 HB3 LEU 87 HB2 LEU 87 -11.447 -3.514 6.945 686 HG LEU 87 HG LEU 87 -9.637 -2.576 9.189 687 HD11 LEU 87 HD11 LEU 87 -11.458 -1.017 9.704 688 HD12 LEU 87 HD12 LEU 87 -12.388 -1.615 8.314 689 HD13 LEU 87 HD13 LEU 87 -10.851 -0.755 8.062 690 HD21 LEU 87 HD21 LEU 87 -10.795 -4.669 9.837 691 HD22 LEU 87 HD22 LEU 87 -12.346 -3.992 9.302 692 HD23 LEU 87 HD23 LEU 87 -11.491 -3.292 10.695 693 H GLY 88 H GLY 88 -9.766 -6.680 8.799 694 HA2 GLY 88 HA3 GLY 88 -10.995 -8.689 8.856 695 HA3 GLY 88 HA2 GLY 88 -11.819 -8.242 7.345 696 H LEU 89 H LEU 89 -9.450 -10.233 8.691 697 HA LEU 89 HA LEU 89 -7.829 -10.432 6.189 698 HB2 LEU 89 HB1 LEU 89 -7.162 -11.266 9.023 699 HB3 LEU 89 HB2 LEU 89 -6.092 -11.393 7.610 700 HG LEU 89 HG LEU 89 -7.087 -8.845 8.964 701 HD11 LEU 89 HD11 LEU 89 -5.299 -10.084 10.140 702 HD12 LEU 89 HD12 LEU 89 -4.706 -8.542 9.495 703 HD13 LEU 89 HD13 LEU 89 -4.311 -10.067 8.666 704 HD21 LEU 89 HD21 LEU 89 -5.617 -7.609 7.397 705 HD22 LEU 89 HD22 LEU 89 -6.939 -8.390 6.541 706 HD23 LEU 89 HD23 LEU 89 -5.314 -9.107 6.489 707 H LYS 90 H LYS 90 -8.300 -12.009 4.921 708 HA LYS 90 HA LYS 90 -10.116 -14.126 5.627 709 HB2 LYS 90 HB1 LYS 90 -8.456 -13.605 3.136 710 HB3 LYS 90 HB2 LYS 90 -9.746 -14.826 3.251 711 HG2 LYS 90 HG1 LYS 90 -11.405 -13.051 3.649 712 HG3 LYS 90 HG2 LYS 90 -10.128 -11.814 3.573 713 HD2 LYS 90 HD1 LYS 90 -9.644 -12.330 1.281 714 HD3 LYS 90 HD2 LYS 90 -10.704 -13.740 1.278 715 HE2 LYS 90 HE1 LYS 90 -11.616 -10.862 1.656 716 HE3 LYS 90 HE2 LYS 90 -11.643 -11.717 0.109 717 HZ1 LYS 90 HZ1 LYS 90 -13.787 -11.720 1.293 718 HZ2 LYS 90 HZ2 LYS 90 -13.163 -12.365 2.562 719 HZ3 LYS 90 HZ3 LYS 90 -13.236 -13.297 1.175 720 H ARG 91 H ARG 91 -6.723 -14.054 6.003 721 HA ARG 91 HA ARG 91 -6.828 -16.732 7.040 722 HB2 ARG 91 HB1 ARG 91 -5.126 -17.800 5.799 723 HB3 ARG 91 HB2 ARG 91 -6.250 -17.144 4.603 724 HG2 ARG 91 HG1 ARG 91 -4.668 -15.204 4.294 725 HG3 ARG 91 HG2 ARG 91 -3.544 -16.021 5.415 726 HD2 ARG 91 HD1 ARG 91 -3.611 -18.012 3.812 727 HD3 ARG 91 HD2 ARG 91 -4.412 -16.926 2.655 728 HE ARG 91 HE ARG 91 -2.396 -15.778 2.342 729 HH11 ARG 91 HH12 ARG 91 -1.917 -17.979 5.103 730 HH12 ARG 91 HH11 ARG 91 -0.216 -17.552 5.197 731 HH21 ARG 91 HH22 ARG 91 -0.101 -15.401 2.556 732 HH22 ARG 91 HH21 ARG 91 0.646 -16.050 3.984 733 HA PRO 92 HA PRO 92 -3.724 -14.596 9.556 734 HB2 PRO 92 HB1 PRO 92 -2.869 -16.600 11.192 735 HB3 PRO 92 HB2 PRO 92 -4.497 -15.867 11.347 736 HG2 PRO 92 HG1 PRO 92 -3.736 -18.443 9.950 737 HG3 PRO 92 HG2 PRO 92 -5.107 -18.151 11.080 738 HD2 PRO 92 HD1 PRO 92 -5.363 -18.127 8.326 739 HD3 PRO 92 HD2 PRO 92 -6.375 -17.124 9.402 740 H LEU 93 H LEU 93 -1.666 -14.137 9.040 741 HA LEU 93 HA LEU 93 -0.221 -15.721 7.053 742 HB2 LEU 93 HB1 LEU 93 -0.058 -12.982 8.285 743 HB3 LEU 93 HB2 LEU 93 1.318 -13.614 7.359 744 HG LEU 93 HG LEU 93 0.092 -13.626 5.330 745 HD11 LEU 93 HD11 LEU 93 -2.254 -12.857 5.138 746 HD12 LEU 93 HD12 LEU 93 -2.390 -12.827 6.909 747 HD13 LEU 93 HD13 LEU 93 -2.129 -14.363 6.044 748 HD21 LEU 93 HD21 LEU 93 -0.517 -11.179 5.198 749 HD22 LEU 93 HD22 LEU 93 1.018 -11.460 6.026 750 HD23 LEU 93 HD23 LEU 93 -0.447 -11.090 6.958 751 H LYS 94 H LYS 94 2.188 -15.932 7.237 752 HA LYS 94 HA LYS 94 3.259 -15.837 10.027 753 HB2 LYS 94 HB1 LYS 94 4.794 -17.373 7.984 754 HB3 LYS 94 HB2 LYS 94 4.849 -17.463 9.755 755 HG2 LYS 94 HG1 LYS 94 3.039 -18.876 7.814 756 HG3 LYS 94 HG2 LYS 94 4.131 -19.549 9.050 757 HD2 LYS 94 HD1 LYS 94 2.355 -19.739 10.414 758 HD3 LYS 94 HD2 LYS 94 2.265 -17.966 10.459 759 HE2 LYS 94 HE1 LYS 94 1.043 -18.284 8.119 760 HE3 LYS 94 HE2 LYS 94 0.803 -19.949 8.633 761 HZ1 LYS 94 HZ1 LYS 94 -0.394 -19.072 10.566 762 HZ2 LYS 94 HZ2 LYS 94 -1.022 -18.373 9.188 763 HZ3 LYS 94 HZ3 LYS 94 -0.001 -17.525 10.131 764 H ALA 95 H ALA 95 5.147 -14.732 10.278 765 HA ALA 95 HA ALA 95 6.185 -12.877 8.286 766 HB1 ALA 95 HB1 ALA 95 7.524 -14.100 10.741 767 HB2 ALA 95 HB2 ALA 95 8.091 -12.694 9.817 768 HB3 ALA 95 HB3 ALA 95 6.574 -12.593 10.722 769 H GLY 96 H GLY 96 7.424 -13.334 6.553 770 HA2 GLY 96 HA3 GLY 96 8.961 -14.476 5.226 771 HA3 GLY 96 HA2 GLY 96 9.007 -15.799 6.413 772 H GLU 97 H GLU 97 5.707 -15.232 5.631 773 HA GLU 97 HA GLU 97 5.629 -17.265 3.475 774 HB2 GLU 97 HB1 GLU 97 3.591 -15.512 4.877 775 HB3 GLU 97 HB2 GLU 97 3.187 -16.411 3.392 776 HG2 GLU 97 HG1 GLU 97 3.636 -18.529 4.487 777 HG3 GLU 97 HG2 GLU 97 4.078 -17.682 5.980 778 H GLU 98 H GLU 98 4.363 -16.490 1.501 779 HA GLU 98 HA GLU 98 4.903 -13.683 0.715 780 HB2 GLU 98 HB1 GLU 98 3.981 -16.124 -0.818 781 HB3 GLU 98 HB2 GLU 98 3.737 -14.462 -1.427 782 HG2 GLU 98 HG1 GLU 98 6.159 -14.066 -1.367 783 HG3 GLU 98 HG2 GLU 98 6.431 -15.704 -0.745 784 H VAL 99 H VAL 99 3.209 -12.380 0.174 785 HA VAL 99 HA VAL 99 0.491 -13.541 0.035 786 HB VAL 99 HB VAL 99 1.147 -10.912 1.421 787 HG11 VAL 99 HG11 VAL 99 -0.596 -10.347 -0.268 788 HG12 VAL 99 HG12 VAL 99 -1.540 -11.762 0.248 789 HG13 VAL 99 HG13 VAL 99 -1.293 -10.382 1.337 790 HG21 VAL 99 HG21 VAL 99 -0.449 -11.846 3.111 791 HG22 VAL 99 HG22 VAL 99 -0.553 -13.335 2.154 792 HG23 VAL 99 HG23 VAL 99 0.981 -12.866 2.894 793 H GLU 100 H GLU 100 -0.251 -13.216 -1.998 794 HA GLU 100 HA GLU 100 1.167 -11.198 -3.659 795 HB2 GLU 100 HB1 GLU 100 0.297 -12.728 -5.533 796 HB3 GLU 100 HB2 GLU 100 1.775 -13.117 -4.597 797 HG2 GLU 100 HG1 GLU 100 0.559 -15.125 -5.034 798 HG3 GLU 100 HG2 GLU 100 0.530 -14.803 -3.306 799 H LEU 101 H LEU 101 -0.017 -10.126 -5.318 800 HA LEU 101 HA LEU 101 -2.724 -9.345 -4.502 801 HB2 LEU 101 HB1 LEU 101 -1.226 -8.790 -2.685 802 HB3 LEU 101 HB2 LEU 101 -0.173 -7.877 -3.747 803 HG LEU 101 HG LEU 101 -2.980 -7.102 -2.972 804 HD11 LEU 101 HD11 LEU 101 -1.908 -5.481 -1.479 805 HD12 LEU 101 HD12 LEU 101 -0.313 -6.163 -1.884 806 HD13 LEU 101 HD13 LEU 101 -1.534 -7.153 -1.043 807 HD21 LEU 101 HD21 LEU 101 -1.778 -4.785 -3.743 808 HD22 LEU 101 HD22 LEU 101 -2.617 -5.850 -4.888 809 HD23 LEU 101 HD23 LEU 101 -0.844 -5.887 -4.744 810 H ASP 102 H ASP 102 -3.763 -8.278 -5.960 811 HA ASP 102 HA ASP 102 -2.778 -7.494 -8.610 812 HB2 ASP 102 HB1 ASP 102 -5.384 -7.572 -7.078 813 HB3 ASP 102 HB2 ASP 102 -5.274 -6.749 -8.630 814 H LEU 103 H LEU 103 -1.538 -5.562 -8.513 815 HA LEU 103 HA LEU 103 -2.519 -3.221 -7.006 816 HB2 LEU 103 HB1 LEU 103 -0.361 -3.565 -9.125 817 HB3 LEU 103 HB2 LEU 103 -0.665 -2.058 -8.251 818 HG LEU 103 HG LEU 103 0.174 -4.687 -6.946 819 HD11 LEU 103 HD11 LEU 103 2.403 -3.674 -6.758 820 HD12 LEU 103 HD12 LEU 103 1.842 -2.225 -7.619 821 HD13 LEU 103 HD13 LEU 103 1.926 -3.790 -8.459 822 HD21 LEU 103 HD21 LEU 103 0.058 -1.830 -5.863 823 HD22 LEU 103 HD22 LEU 103 0.661 -3.267 -5.013 824 HD23 LEU 103 HD23 LEU 103 -1.048 -3.149 -5.415 825 H LEU 104 H LEU 104 -4.123 -1.929 -7.702 826 HA LEU 104 HA LEU 104 -5.246 -2.442 -10.384 827 HB2 LEU 104 HB1 LEU 104 -6.432 -0.861 -8.089 828 HB3 LEU 104 HB2 LEU 104 -7.277 -1.557 -9.474 829 HG LEU 104 HG LEU 104 -6.107 -2.995 -7.138 830 HD11 LEU 104 HD11 LEU 104 -8.267 -1.891 -6.716 831 HD12 LEU 104 HD12 LEU 104 -8.447 -3.653 -6.689 832 HD13 LEU 104 HD13 LEU 104 -8.979 -2.728 -8.110 833 HD21 LEU 104 HD21 LEU 104 -7.103 -5.085 -8.151 834 HD22 LEU 104 HD22 LEU 104 -5.758 -4.426 -9.081 835 HD23 LEU 104 HD23 LEU 104 -7.425 -4.162 -9.637 836 H PHE 105 H PHE 105 -5.131 -1.006 -12.043 837 HA PHE 105 HA PHE 105 -4.314 1.803 -11.391 838 HB2 PHE 105 HB1 PHE 105 -3.632 0.052 -13.751 839 HB3 PHE 105 HB2 PHE 105 -3.231 1.766 -13.642 840 HD1 PHE 105 HD2 PHE 105 -2.481 -1.629 -12.323 841 HD2 PHE 105 HD1 PHE 105 -1.445 2.545 -12.124 842 HE1 PHE 105 HE2 PHE 105 -0.415 -2.194 -11.078 843 HE2 PHE 105 HE1 PHE 105 0.591 1.986 -10.846 844 HZ PHE 105 HZ PHE 105 1.128 -0.390 -10.332 845 H ALA 106 H ALA 106 -4.952 3.485 -12.758 846 HA ALA 106 HA ALA 106 -7.783 3.512 -13.245 847 HB1 ALA 106 HB1 ALA 106 -6.455 5.428 -12.320 848 HB2 ALA 106 HB2 ALA 106 -5.694 5.623 -13.917 849 HB3 ALA 106 HB3 ALA 106 -7.437 5.875 -13.721 850 H GLY 107 H GLY 107 -7.483 1.639 -14.879 851 HA2 GLY 107 HA3 GLY 107 -8.576 2.068 -17.291 852 HA3 GLY 107 HA2 GLY 107 -6.881 2.481 -17.634 853 H GLY 108 H GLY 108 -6.613 0.747 -19.047 854 HA2 GLY 108 HA3 GLY 108 -7.362 -1.951 -18.446 855 HA3 GLY 108 HA2 GLY 108 -6.379 -1.396 -19.820 856 H LYS 109 H LYS 109 -5.604 -1.213 -16.263 857 HA LYS 109 HA LYS 109 -3.565 -3.283 -16.625 858 HB2 LYS 109 HB1 LYS 109 -3.223 -0.377 -15.972 859 HB3 LYS 109 HB2 LYS 109 -2.228 -1.521 -15.084 860 HG2 LYS 109 HG1 LYS 109 -2.455 -1.358 -18.105 861 HG3 LYS 109 HG2 LYS 109 -1.180 -0.566 -17.162 862 HD2 LYS 109 HD1 LYS 109 -0.056 -2.544 -16.765 863 HD3 LYS 109 HD2 LYS 109 -1.473 -3.573 -16.937 864 HE2 LYS 109 HE1 LYS 109 -0.272 -1.984 -19.242 865 HE3 LYS 109 HE2 LYS 109 0.217 -3.644 -18.853 866 HZ1 LYS 109 HZ1 LYS 109 -1.540 -3.450 -20.594 867 HZ2 LYS 109 HZ2 LYS 109 -2.584 -2.834 -19.480 868 HZ3 LYS 109 HZ3 LYS 109 -2.030 -4.357 -19.317 869 H VAL 110 H VAL 110 -3.284 -4.540 -15.102 870 HA VAL 110 HA VAL 110 -3.520 -3.881 -12.343 871 HB VAL 110 HB VAL 110 -5.733 -4.580 -12.679 872 HG11 VAL 110 HG11 VAL 110 -6.444 -6.778 -13.505 873 HG12 VAL 110 HG12 VAL 110 -5.614 -5.836 -14.746 874 HG13 VAL 110 HG13 VAL 110 -4.765 -7.170 -13.929 875 HG21 VAL 110 HG21 VAL 110 -5.925 -6.381 -11.042 876 HG22 VAL 110 HG22 VAL 110 -4.289 -6.961 -11.424 877 HG23 VAL 110 HG23 VAL 110 -4.501 -5.402 -10.617 878 H LEU 111 H LEU 111 -1.923 -4.855 -11.240 879 HA LEU 111 HA LEU 111 -0.183 -6.846 -12.664 880 HB2 LEU 111 HB1 LEU 111 0.304 -4.396 -10.987 881 HB3 LEU 111 HB2 LEU 111 1.565 -5.612 -11.180 882 HG LEU 111 HG LEU 111 1.811 -3.609 -12.530 883 HD11 LEU 111 HD11 LEU 111 1.501 -6.169 -14.162 884 HD12 LEU 111 HD12 LEU 111 2.903 -5.733 -13.163 885 HD13 LEU 111 HD13 LEU 111 2.510 -4.772 -14.598 886 HD21 LEU 111 HD21 LEU 111 -0.606 -3.255 -13.201 887 HD22 LEU 111 HD22 LEU 111 -0.362 -4.533 -14.414 888 HD23 LEU 111 HD23 LEU 111 0.608 -3.056 -14.470 889 H LYS 112 H LYS 112 -0.771 -8.703 -11.697 890 HA LYS 112 HA LYS 112 -1.264 -8.929 -8.850 891 HB2 LYS 112 HB1 LYS 112 -2.322 -10.230 -10.810 892 HB3 LYS 112 HB2 LYS 112 -0.973 -11.330 -10.653 893 HG2 LYS 112 HG1 LYS 112 -2.809 -10.472 -8.369 894 HG3 LYS 112 HG2 LYS 112 -3.090 -11.921 -9.353 895 HD2 LYS 112 HD1 LYS 112 -0.709 -11.453 -7.519 896 HD3 LYS 112 HD2 LYS 112 -2.159 -12.439 -7.157 897 HE2 LYS 112 HE1 LYS 112 -1.587 -13.815 -9.220 898 HE3 LYS 112 HE2 LYS 112 -0.049 -12.937 -9.302 899 HZ1 LYS 112 HZ1 LYS 112 0.054 -15.086 -8.037 900 HZ2 LYS 112 HZ2 LYS 112 -1.002 -14.460 -6.939 901 HZ3 LYS 112 HZ3 LYS 112 0.472 -13.789 -7.112 902 H VAL 113 H VAL 113 0.681 -8.082 -8.052 903 HA VAL 113 HA VAL 113 3.286 -9.304 -8.633 904 HB VAL 113 HB VAL 113 4.212 -7.804 -6.949 905 HG11 VAL 113 HG11 VAL 113 3.943 -7.062 -9.279 906 HG12 VAL 113 HG12 VAL 113 2.352 -6.371 -8.883 907 HG13 VAL 113 HG13 VAL 113 3.814 -5.718 -8.132 908 HG21 VAL 113 HG21 VAL 113 2.273 -7.680 -5.356 909 HG22 VAL 113 HG22 VAL 113 2.937 -6.102 -5.799 910 HG23 VAL 113 HG23 VAL 113 1.424 -6.656 -6.532 911 H VAL 114 H VAL 114 4.724 -10.161 -7.017 912 HA VAL 114 HA VAL 114 3.496 -11.728 -4.858 913 HB VAL 114 HB VAL 114 5.714 -12.870 -4.812 914 HG11 VAL 114 HG11 VAL 114 3.936 -13.193 -7.300 915 HG12 VAL 114 HG12 VAL 114 5.043 -14.427 -6.663 916 HG13 VAL 114 HG13 VAL 114 3.628 -13.937 -5.719 917 HG21 VAL 114 HG21 VAL 114 6.904 -11.243 -6.198 918 HG22 VAL 114 HG22 VAL 114 7.009 -12.884 -6.873 919 HG23 VAL 114 HG23 VAL 114 5.890 -11.693 -7.583 920 H LEU 115 H LEU 115 4.154 -11.325 -2.726 921 HA LEU 115 HA LEU 115 6.340 -9.374 -2.225 922 HB2 LEU 115 HB1 LEU 115 3.546 -9.152 -1.041 923 HB3 LEU 115 HB2 LEU 115 4.921 -8.120 -0.627 924 HG LEU 115 HG LEU 115 3.680 -8.216 -3.412 925 HD11 LEU 115 HD11 LEU 115 1.963 -7.566 -1.789 926 HD12 LEU 115 HD12 LEU 115 2.451 -6.200 -2.799 927 HD13 LEU 115 HD13 LEU 115 3.043 -6.320 -1.122 928 HD21 LEU 115 HD21 LEU 115 5.998 -7.256 -3.236 929 HD22 LEU 115 HD22 LEU 115 5.398 -6.115 -2.018 930 HD23 LEU 115 HD23 LEU 115 4.791 -6.041 -3.687 931 HA PRO 116 HA PRO 116 6.775 -12.432 1.139 932 HB2 PRO 116 HB1 PRO 116 8.794 -11.279 2.563 933 HB3 PRO 116 HB2 PRO 116 9.065 -12.106 0.998 934 HG2 PRO 116 HG1 PRO 116 8.678 -9.133 1.482 935 HG3 PRO 116 HG2 PRO 116 9.983 -9.937 0.535 936 HD2 PRO 116 HD1 PRO 116 7.769 -8.919 -0.681 937 HD3 PRO 116 HD2 PRO 116 8.498 -10.460 -1.226 938 H VAL 117 H VAL 117 6.303 -12.501 3.413 939 HA VAL 117 HA VAL 117 4.808 -10.191 4.493 940 HB VAL 117 HB VAL 117 5.016 -13.119 5.265 941 HG11 VAL 117 HG11 VAL 117 4.554 -11.869 7.300 942 HG12 VAL 117 HG12 VAL 117 3.296 -10.918 6.484 943 HG13 VAL 117 HG13 VAL 117 3.084 -12.652 6.761 944 HG21 VAL 117 HG21 VAL 117 3.719 -12.673 3.178 945 HG22 VAL 117 HG22 VAL 117 2.671 -13.229 4.487 946 HG23 VAL 117 HG23 VAL 117 2.716 -11.505 4.058 947 H GLU 118 H GLU 118 5.196 -9.277 6.487 948 HA GLU 118 HA GLU 118 7.301 -10.271 8.270 949 HB2 GLU 118 HB1 GLU 118 7.925 -8.244 6.492 950 HB3 GLU 118 HB2 GLU 118 7.448 -7.327 7.920 951 HG2 GLU 118 HG1 GLU 118 9.433 -9.616 8.094 952 HG3 GLU 118 HG2 GLU 118 9.920 -7.961 7.621 953 H ALA 119 H ALA 119 7.073 -9.186 10.476 954 HA ALA 119 HA ALA 119 4.152 -9.203 11.041 955 HB1 ALA 119 HB1 ALA 119 6.583 -9.718 12.805 956 HB2 ALA 119 HB2 ALA 119 4.888 -9.998 13.257 957 HB3 ALA 119 HB3 ALA 119 5.643 -10.973 11.976 958 H ARG 120 H ARG 120 4.944 -6.779 10.106 959 HA ARG 120 HA ARG 120 5.642 -5.042 12.439 960 HB2 ARG 120 HB1 ARG 120 7.493 -5.899 11.089 961 HB3 ARG 120 HB2 ARG 120 6.777 -5.226 9.623 962 HG2 ARG 120 HG1 ARG 120 7.271 -2.963 10.365 963 HG3 ARG 120 HG2 ARG 120 7.753 -3.543 11.980 964 HD2 ARG 120 HD1 ARG 120 9.619 -4.758 11.103 965 HD3 ARG 120 HD2 ARG 120 9.010 -4.606 9.441 966 HE ARG 120 HE ARG 120 9.900 -2.167 10.888 967 HH11 ARG 120 HH12 ARG 120 10.527 -4.547 8.399 968 HH12 ARG 120 HH11 ARG 120 11.510 -3.444 7.452 969 HH21 ARG 120 HH22 ARG 120 11.531 -0.968 9.788 970 HH22 ARG 120 HH21 ARG 120 12.221 -1.652 8.314 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 20.749 4.227 -6.464 2 H2 GLY 1 2H GLY 1 20.208 5.422 -5.491 3 H3 GLY 1 3H GLY 1 19.661 5.327 -7.051 4 HA2 GLY 1 HA3 GLY 1 17.973 4.533 -5.541 5 HA3 GLY 1 HA2 GLY 1 18.584 3.220 -6.574 6 H SER 2 H SER 2 17.558 2.045 -4.491 7 HA SER 2 HA SER 2 19.750 0.996 -2.948 8 HB2 SER 2 HB1 SER 2 19.172 3.115 -1.671 9 HB3 SER 2 HB2 SER 2 17.570 2.410 -1.372 10 HG SER 2 HG SER 2 19.071 1.910 0.317 11 H PHE 3 H PHE 3 18.852 -0.747 -1.460 12 HA PHE 3 HA PHE 3 16.945 -2.318 -3.047 13 HB2 PHE 3 HB1 PHE 3 18.761 -3.037 -0.728 14 HB3 PHE 3 HB2 PHE 3 17.767 -4.186 -1.652 15 HD1 PHE 3 HD1 PHE 3 18.147 -4.284 -4.221 16 HD2 PHE 3 HD2 PHE 3 20.979 -2.591 -1.443 17 HE1 PHE 3 HE1 PHE 3 19.954 -4.540 -5.904 18 HE2 PHE 3 HE2 PHE 3 22.781 -2.849 -3.130 19 HZ PHE 3 HZ PHE 3 22.273 -3.821 -5.360 20 H THR 4 H THR 4 15.291 -0.625 -2.279 21 HA THR 4 HA THR 4 13.931 -1.449 0.218 22 HB THR 4 HB THR 4 12.194 0.115 -0.365 23 HG1 THR 4 HG1 THR 4 11.900 0.221 -2.375 24 HG21 THR 4 HG21 THR 4 14.866 1.456 -0.958 25 HG22 THR 4 HG22 THR 4 14.267 1.055 0.670 26 HG23 THR 4 HG23 THR 4 13.384 2.214 -0.339 27 H GLU 5 H GLU 5 11.724 -2.340 0.095 28 HA GLU 5 HA GLU 5 11.000 -3.884 -2.256 29 HB2 GLU 5 HB1 GLU 5 12.951 -5.081 -1.150 30 HB3 GLU 5 HB2 GLU 5 11.889 -5.391 0.217 31 HG2 GLU 5 HG1 GLU 5 10.454 -6.182 -2.134 32 HG3 GLU 5 HG2 GLU 5 12.125 -6.724 -2.392 33 H GLY 6 H GLY 6 9.445 -5.840 -0.337 34 HA2 GLY 6 HA3 GLY 6 7.645 -4.057 1.061 35 HA3 GLY 6 HA2 GLY 6 6.984 -4.636 -0.485 36 H TRP 7 H TRP 7 6.975 -5.175 2.741 37 HA TRP 7 HA TRP 7 6.252 -8.049 2.405 38 HB2 TRP 7 HB1 TRP 7 6.571 -8.246 4.830 39 HB3 TRP 7 HB2 TRP 7 8.056 -7.817 3.982 40 HD1 TRP 7 HD TRP 7 5.871 -6.828 6.791 41 HE1 TRP 7 HE1 TRP 7 6.588 -4.613 7.845 42 HE3 TRP 7 3HE TRP 7 9.315 -5.335 3.293 43 HZ2 TRP 7 HZ2 TRP 7 8.227 -2.336 7.120 44 HZ3 TRP 7 HZ3 TRP 7 10.387 -3.115 3.471 45 HH2 TRP 7 HH TRP 7 9.842 -1.597 5.362 46 H VAL 8 H VAL 8 4.354 -8.788 3.293 47 HA VAL 8 HA VAL 8 2.278 -6.711 3.916 48 HB VAL 8 HB VAL 8 1.908 -9.598 3.079 49 HG11 VAL 8 HG11 VAL 8 0.158 -9.014 4.732 50 HG12 VAL 8 HG12 VAL 8 -0.152 -7.487 3.895 51 HG13 VAL 8 HG13 VAL 8 -0.548 -9.022 3.112 52 HG21 VAL 8 HG21 VAL 8 2.463 -8.035 1.243 53 HG22 VAL 8 HG22 VAL 8 0.752 -8.460 1.150 54 HG23 VAL 8 HG23 VAL 8 1.235 -6.888 1.823 55 H ARG 9 H ARG 9 1.207 -6.732 5.770 56 HA ARG 9 HA ARG 9 3.172 -7.231 7.806 57 HB2 ARG 9 HB1 ARG 9 2.100 -5.093 6.989 58 HB3 ARG 9 HB2 ARG 9 0.679 -5.502 7.919 59 HG2 ARG 9 HG1 ARG 9 3.403 -5.487 9.235 60 HG3 ARG 9 HG2 ARG 9 2.569 -3.949 8.846 61 HD2 ARG 9 HD1 ARG 9 0.594 -4.812 10.173 62 HD3 ARG 9 HD2 ARG 9 1.649 -6.127 10.733 63 HE ARG 9 HE ARG 9 2.970 -4.565 11.942 64 HH11 ARG 9 HH12 ARG 9 0.969 -2.674 9.801 65 HH12 ARG 9 HH11 ARG 9 1.327 -1.217 10.661 66 HH21 ARG 9 HH22 ARG 9 3.532 -2.768 12.759 67 HH22 ARG 9 HH21 ARG 9 2.705 -1.256 12.471 68 H PHE 10 H PHE 10 3.108 -8.826 9.218 69 HA PHE 10 HA PHE 10 0.744 -10.332 9.925 70 HB2 PHE 10 HB1 PHE 10 2.793 -11.486 10.060 71 HB3 PHE 10 HB2 PHE 10 3.555 -10.199 11.013 72 HD1 PHE 10 HD2 PHE 10 0.251 -11.994 11.545 73 HD2 PHE 10 HD1 PHE 10 4.203 -11.160 13.058 74 HE1 PHE 10 HE2 PHE 10 -0.334 -13.100 13.670 75 HE2 PHE 10 HE1 PHE 10 3.610 -12.273 15.187 76 HZ PHE 10 HZ PHE 10 1.339 -13.235 15.508 77 H SER 11 H SER 11 -0.901 -9.690 11.243 78 HA SER 11 HA SER 11 -0.204 -8.908 13.931 79 HB2 SER 11 HB1 SER 11 -1.597 -7.049 12.009 80 HB3 SER 11 HB2 SER 11 -2.038 -7.058 13.730 81 HG SER 11 HG SER 11 0.680 -6.925 12.947 82 HA PRO 12 HA PRO 12 -4.030 -11.330 14.258 83 HB2 PRO 12 HB1 PRO 12 -4.172 -11.653 16.927 84 HB3 PRO 12 HB2 PRO 12 -2.820 -12.366 15.994 85 HG2 PRO 12 HG1 PRO 12 -2.832 -9.755 17.539 86 HG3 PRO 12 HG2 PRO 12 -1.612 -11.079 17.609 87 HD2 PRO 12 HD1 PRO 12 -1.347 -8.823 16.021 88 HD3 PRO 12 HD2 PRO 12 -0.653 -10.412 15.591 89 H GLY 13 H GLY 13 -4.850 -9.186 13.298 90 HA2 GLY 13 HA3 GLY 13 -6.520 -7.691 15.277 91 HA3 GLY 13 HA2 GLY 13 -5.714 -6.912 13.897 92 HA PRO 14 HA PRO 14 -9.959 -8.173 12.317 93 HB2 PRO 14 HB1 PRO 14 -11.250 -5.788 12.441 94 HB3 PRO 14 HB2 PRO 14 -11.247 -6.923 13.824 95 HG2 PRO 14 HG1 PRO 14 -9.454 -4.518 13.391 96 HG3 PRO 14 HG2 PRO 14 -10.384 -4.953 14.869 97 HD2 PRO 14 HD1 PRO 14 -7.718 -5.566 14.536 98 HD3 PRO 14 HD2 PRO 14 -8.834 -6.622 15.448 99 H ASN 15 H ASN 15 -7.563 -5.598 12.101 100 HA ASN 15 HA ASN 15 -7.418 -5.912 9.238 101 HB2 ASN 15 HB1 ASN 15 -7.654 -3.624 8.688 102 HB3 ASN 15 HB2 ASN 15 -9.058 -4.048 9.677 103 HD21 ASN 15 HD21 ASN 15 -7.268 -1.466 9.092 104 HD22 ASN 15 HD22 ASN 15 -7.137 -0.811 10.705 105 H ALA 16 H ALA 16 -5.538 -4.619 8.356 106 HA ALA 16 HA ALA 16 -3.363 -3.974 10.207 107 HB1 ALA 16 HB1 ALA 16 -1.768 -5.517 9.058 108 HB2 ALA 16 HB2 ALA 16 -3.077 -6.414 9.847 109 HB3 ALA 16 HB3 ALA 16 -3.106 -6.173 8.089 110 H ALA 17 H ALA 17 -1.655 -2.803 9.124 111 HA ALA 17 HA ALA 17 -2.353 -1.551 6.498 112 HB1 ALA 17 HB1 ALA 17 -0.716 0.142 7.081 113 HB2 ALA 17 HB2 ALA 17 -1.818 -0.017 8.457 114 HB3 ALA 17 HB3 ALA 17 -0.209 -0.747 8.522 115 H ALA 18 H ALA 18 -1.495 -2.567 4.811 116 HA ALA 18 HA ALA 18 1.106 -4.051 5.001 117 HB1 ALA 18 HB1 ALA 18 -0.783 -5.314 4.162 118 HB2 ALA 18 HB2 ALA 18 -1.113 -4.089 2.927 119 HB3 ALA 18 HB3 ALA 18 0.389 -5.027 2.857 120 H TYR 19 H TYR 19 2.573 -3.833 3.159 121 HA TYR 19 HA TYR 19 2.793 -1.035 2.136 122 HB2 TYR 19 HB1 TYR 19 5.171 -2.558 3.151 123 HB3 TYR 19 HB2 TYR 19 4.953 -0.817 3.009 124 HD1 TYR 19 HD2 TYR 19 2.982 0.114 4.672 125 HD2 TYR 19 HD1 TYR 19 5.253 -3.504 5.220 126 HE1 TYR 19 HE2 TYR 19 2.569 0.218 7.135 127 HE2 TYR 19 HE1 TYR 19 4.892 -3.377 7.667 128 HH TYR 19 HH TYR 19 4.091 -2.141 9.398 129 H LEU 20 H LEU 20 4.411 -0.818 0.440 130 HA LEU 20 HA LEU 20 6.115 -2.852 -0.279 131 HB2 LEU 20 HB1 LEU 20 5.561 -3.641 -2.391 132 HB3 LEU 20 HB2 LEU 20 4.097 -3.874 -1.459 133 HG LEU 20 HG LEU 20 4.566 -1.597 -3.440 134 HD11 LEU 20 HD11 LEU 20 4.517 -3.805 -4.539 135 HD12 LEU 20 HD12 LEU 20 3.087 -2.840 -4.930 136 HD13 LEU 20 HD13 LEU 20 2.962 -4.164 -3.753 137 HD21 LEU 20 HD21 LEU 20 2.906 -0.950 -1.774 138 HD22 LEU 20 HD22 LEU 20 2.055 -2.498 -1.977 139 HD23 LEU 20 HD23 LEU 20 2.101 -1.309 -3.302 140 H THR 21 H THR 21 7.657 -2.367 -1.893 141 HA THR 21 HA THR 21 7.831 0.446 -2.801 142 HB THR 21 HB THR 21 9.662 -1.906 -3.419 143 HG1 THR 21 HG1 THR 21 9.714 -1.261 -1.274 144 HG21 THR 21 HG21 THR 21 11.192 -0.033 -4.125 145 HG22 THR 21 HG22 THR 21 9.856 1.111 -3.940 146 HG23 THR 21 HG23 THR 21 9.791 -0.182 -5.169 147 H LEU 22 H LEU 22 7.447 1.098 -4.797 148 HA LEU 22 HA LEU 22 6.306 -0.755 -6.819 149 HB2 LEU 22 HB1 LEU 22 4.691 0.598 -5.352 150 HB3 LEU 22 HB2 LEU 22 5.343 2.062 -6.079 151 HG LEU 22 HG LEU 22 3.220 1.537 -7.016 152 HD11 LEU 22 HD11 LEU 22 3.620 1.610 -9.332 153 HD12 LEU 22 HD12 LEU 22 5.119 0.680 -9.199 154 HD13 LEU 22 HD13 LEU 22 5.051 2.350 -8.581 155 HD21 LEU 22 HD21 LEU 22 2.667 -0.538 -8.153 156 HD22 LEU 22 HD22 LEU 22 3.163 -0.869 -6.487 157 HD23 LEU 22 HD23 LEU 22 4.283 -1.198 -7.829 158 H GLU 23 H GLU 23 7.343 -0.528 -8.708 159 HA GLU 23 HA GLU 23 8.735 2.019 -9.403 160 HB2 GLU 23 HB1 GLU 23 9.831 0.508 -11.182 161 HB3 GLU 23 HB2 GLU 23 10.477 0.531 -9.539 162 HG2 GLU 23 HG1 GLU 23 8.467 -1.600 -10.173 163 HG3 GLU 23 HG2 GLU 23 10.072 -1.721 -10.945 164 H ASN 24 H ASN 24 7.929 3.191 -10.936 165 HA ASN 24 HA ASN 24 6.304 1.998 -13.128 166 HB2 ASN 24 HB1 ASN 24 5.675 4.211 -12.218 167 HB3 ASN 24 HB2 ASN 24 7.277 4.836 -12.634 168 HD21 ASN 24 HD21 ASN 24 5.492 6.307 -13.729 169 HD22 ASN 24 HD22 ASN 24 5.207 5.884 -15.430 170 HA PRO 25 HA PRO 25 10.433 1.691 -15.048 171 HB2 PRO 25 HB1 PRO 25 10.010 -0.437 -16.684 172 HB3 PRO 25 HB2 PRO 25 10.084 -0.664 -14.909 173 HG2 PRO 25 HG1 PRO 25 7.592 -0.290 -16.620 174 HG3 PRO 25 HG2 PRO 25 7.922 -1.617 -15.452 175 HD2 PRO 25 HD1 PRO 25 6.496 0.608 -14.754 176 HD3 PRO 25 HD2 PRO 25 7.628 -0.189 -13.619 177 H GLY 26 H GLY 26 7.418 2.663 -16.382 178 HA2 GLY 26 HA3 GLY 26 8.377 2.783 -19.168 179 HA3 GLY 26 HA2 GLY 26 6.737 3.123 -18.573 180 H ASP 27 H ASP 27 7.954 4.753 -20.411 181 HA ASP 27 HA ASP 27 8.997 7.160 -19.125 182 HB2 ASP 27 HB1 ASP 27 8.437 6.312 -21.971 183 HB3 ASP 27 HB2 ASP 27 8.953 7.966 -21.553 184 H LEU 28 H LEU 28 5.898 6.073 -19.289 185 HA LEU 28 HA LEU 28 4.822 8.838 -19.173 186 HB2 LEU 28 HB1 LEU 28 2.698 8.071 -19.967 187 HB3 LEU 28 HB2 LEU 28 3.991 7.686 -21.129 188 HG LEU 28 HG LEU 28 3.878 5.283 -20.137 189 HD11 LEU 28 HD11 LEU 28 1.250 6.442 -19.085 190 HD12 LEU 28 HD12 LEU 28 2.500 5.594 -18.154 191 HD13 LEU 28 HD13 LEU 28 1.536 4.702 -19.319 192 HD21 LEU 28 HD21 LEU 28 1.528 6.432 -21.706 193 HD22 LEU 28 HD22 LEU 28 2.014 4.722 -21.661 194 HD23 LEU 28 HD23 LEU 28 3.090 5.924 -22.387 195 HA PRO 29 HA PRO 29 4.088 7.949 -15.018 196 HB2 PRO 29 HB1 PRO 29 1.967 9.465 -14.244 197 HB3 PRO 29 HB2 PRO 29 3.502 10.164 -14.834 198 HG2 PRO 29 HG1 PRO 29 0.935 9.725 -16.363 199 HG3 PRO 29 HG2 PRO 29 1.998 11.175 -16.369 200 HD2 PRO 29 HD1 PRO 29 2.048 9.177 -18.300 201 HD3 PRO 29 HD2 PRO 29 3.470 10.160 -17.901 202 H LEU 30 H LEU 30 2.862 6.744 -13.406 203 HA LEU 30 HA LEU 30 0.575 5.109 -14.433 204 HB2 LEU 30 HB1 LEU 30 2.367 4.617 -12.054 205 HB3 LEU 30 HB2 LEU 30 0.991 3.612 -12.533 206 HG LEU 30 HG LEU 30 3.599 4.017 -13.868 207 HD11 LEU 30 HD11 LEU 30 2.129 1.496 -13.069 208 HD12 LEU 30 HD12 LEU 30 3.377 2.294 -12.077 209 HD13 LEU 30 HD13 LEU 30 3.810 1.577 -13.644 210 HD21 LEU 30 HD21 LEU 30 1.271 2.613 -15.179 211 HD22 LEU 30 HD22 LEU 30 2.971 2.525 -15.718 212 HD23 LEU 30 HD23 LEU 30 2.129 4.068 -15.769 213 H ARG 31 H ARG 31 -1.098 4.735 -13.086 214 HA ARG 31 HA ARG 31 -1.486 6.388 -10.658 215 HB2 ARG 31 HB1 ARG 31 -2.629 7.503 -12.645 216 HB3 ARG 31 HB2 ARG 31 -3.749 6.122 -12.641 217 HG2 ARG 31 HG1 ARG 31 -4.661 6.725 -10.565 218 HG3 ARG 31 HG2 ARG 31 -3.267 7.712 -10.097 219 HD2 ARG 31 HD1 ARG 31 -5.148 8.514 -12.325 220 HD3 ARG 31 HD2 ARG 31 -5.377 8.972 -10.612 221 HE ARG 31 HE ARG 31 -3.275 10.238 -10.707 222 HH11 ARG 31 HH12 ARG 31 -4.756 9.614 -13.856 223 HH12 ARG 31 HH11 ARG 31 -3.817 10.887 -14.598 224 HH21 ARG 31 HH22 ARG 31 -2.149 11.753 -11.682 225 HH22 ARG 31 HH21 ARG 31 -2.357 12.118 -13.366 226 H LEU 32 H LEU 32 -1.754 5.042 -9.087 227 HA LEU 32 HA LEU 32 -2.582 2.201 -9.490 228 HB2 LEU 32 HB1 LEU 32 -0.361 2.556 -8.590 229 HB3 LEU 32 HB2 LEU 32 -0.986 3.708 -7.385 230 HG LEU 32 HG LEU 32 -2.300 1.700 -6.412 231 HD11 LEU 32 HD11 LEU 32 -1.393 -0.522 -6.854 232 HD12 LEU 32 HD12 LEU 32 -0.217 0.138 -8.008 233 HD13 LEU 32 HD13 LEU 32 -1.946 0.167 -8.384 234 HD21 LEU 32 HD21 LEU 32 0.748 1.718 -6.303 235 HD22 LEU 32 HD22 LEU 32 -0.334 0.952 -5.119 236 HD23 LEU 32 HD23 LEU 32 -0.345 2.711 -5.312 237 H VAL 33 H VAL 33 -4.655 1.817 -8.950 238 HA VAL 33 HA VAL 33 -6.106 3.921 -7.385 239 HB VAL 33 HB VAL 33 -8.117 3.322 -8.607 240 HG11 VAL 33 HG11 VAL 33 -7.510 4.152 -10.806 241 HG12 VAL 33 HG12 VAL 33 -6.534 4.990 -9.589 242 HG13 VAL 33 HG13 VAL 33 -5.812 3.702 -10.569 243 HG21 VAL 33 HG21 VAL 33 -7.690 0.886 -8.992 244 HG22 VAL 33 HG22 VAL 33 -8.150 1.745 -10.468 245 HG23 VAL 33 HG23 VAL 33 -6.455 1.318 -10.197 246 H GLY 34 H GLY 34 -5.110 0.679 -7.128 247 HA2 GLY 34 HA3 GLY 34 -5.969 0.450 -4.477 248 HA3 GLY 34 HA2 GLY 34 -7.155 -0.421 -5.476 249 H ALA 35 H ALA 35 -6.367 -2.268 -4.196 250 HA ALA 35 HA ALA 35 -4.716 -3.758 -5.952 251 HB1 ALA 35 HB1 ALA 35 -3.835 -3.745 -3.046 252 HB2 ALA 35 HB2 ALA 35 -3.171 -4.717 -4.388 253 HB3 ALA 35 HB3 ALA 35 -2.969 -2.973 -4.398 254 H ARG 36 H ARG 36 -4.774 -6.254 -4.997 255 HA ARG 36 HA ARG 36 -7.240 -6.871 -3.492 256 HB2 ARG 36 HB1 ARG 36 -8.394 -6.697 -5.435 257 HB3 ARG 36 HB2 ARG 36 -7.006 -7.023 -6.470 258 HG2 ARG 36 HG1 ARG 36 -7.151 -9.445 -5.743 259 HG3 ARG 36 HG2 ARG 36 -8.659 -9.028 -4.902 260 HD2 ARG 36 HD1 ARG 36 -9.454 -8.119 -7.192 261 HD3 ARG 36 HD2 ARG 36 -8.060 -8.951 -7.893 262 HE ARG 36 HE ARG 36 -10.493 -10.128 -6.714 263 HH11 ARG 36 HH12 ARG 36 -7.192 -10.935 -7.851 264 HH12 ARG 36 HH11 ARG 36 -7.622 -12.572 -8.157 265 HH21 ARG 36 HH22 ARG 36 -10.922 -12.286 -7.089 266 HH22 ARG 36 HH21 ARG 36 -9.660 -13.335 -7.683 267 H THR 37 H THR 37 -7.145 -8.978 -2.569 268 HA THR 37 HA THR 37 -4.643 -10.550 -2.974 269 HB THR 37 HB THR 37 -3.958 -8.769 -1.576 270 HG1 THR 37 HG1 THR 37 -3.050 -10.566 -0.932 271 HG21 THR 37 HG21 THR 37 -4.901 -8.383 0.697 272 HG22 THR 37 HG22 THR 37 -6.293 -9.405 0.261 273 HG23 THR 37 HG23 THR 37 -5.983 -7.891 -0.606 274 HA PRO 38 HA PRO 38 -7.432 -13.728 -1.270 275 HB2 PRO 38 HB1 PRO 38 -5.697 -15.651 -0.455 276 HB3 PRO 38 HB2 PRO 38 -5.979 -15.244 -2.181 277 HG2 PRO 38 HG1 PRO 38 -3.721 -14.260 -0.437 278 HG3 PRO 38 HG2 PRO 38 -3.606 -15.052 -2.053 279 HD2 PRO 38 HD1 PRO 38 -3.626 -12.342 -1.784 280 HD3 PRO 38 HD2 PRO 38 -4.449 -13.138 -3.149 281 H VAL 39 H VAL 39 -4.974 -12.123 0.619 282 HA VAL 39 HA VAL 39 -5.730 -13.474 3.089 283 HB VAL 39 HB VAL 39 -4.074 -12.340 4.255 284 HG11 VAL 39 HG11 VAL 39 -2.933 -12.672 1.462 285 HG12 VAL 39 HG12 VAL 39 -2.104 -12.835 3.025 286 HG13 VAL 39 HG13 VAL 39 -3.336 -14.014 2.561 287 HG21 VAL 39 HG21 VAL 39 -4.011 -10.251 2.053 288 HG22 VAL 39 HG22 VAL 39 -4.364 -10.022 3.769 289 HG23 VAL 39 HG23 VAL 39 -2.726 -10.430 3.253 290 H ALA 40 H ALA 40 -6.902 -10.557 1.623 291 HA ALA 40 HA ALA 40 -8.357 -9.813 4.119 292 HB1 ALA 40 HB1 ALA 40 -6.362 -8.344 3.695 293 HB2 ALA 40 HB2 ALA 40 -7.114 -7.852 2.159 294 HB3 ALA 40 HB3 ALA 40 -7.933 -7.486 3.688 295 H GLU 41 H GLU 41 -10.359 -8.850 3.870 296 HA GLU 41 HA GLU 41 -11.669 -9.501 1.365 297 HB2 GLU 41 HB1 GLU 41 -12.503 -10.017 3.721 298 HB3 GLU 41 HB2 GLU 41 -12.949 -8.326 3.879 299 HG2 GLU 41 HG1 GLU 41 -14.861 -9.729 3.166 300 HG3 GLU 41 HG2 GLU 41 -14.456 -8.545 1.912 301 H ARG 42 H ARG 42 -12.275 -6.563 3.305 302 HA ARG 42 HA ARG 42 -12.443 -5.045 0.758 303 HB2 ARG 42 HB1 ARG 42 -14.261 -4.765 2.440 304 HB3 ARG 42 HB2 ARG 42 -13.085 -4.052 3.551 305 HG2 ARG 42 HG1 ARG 42 -12.578 -2.637 1.247 306 HG3 ARG 42 HG2 ARG 42 -14.305 -2.943 1.041 307 HD2 ARG 42 HD1 ARG 42 -13.056 -1.686 3.523 308 HD3 ARG 42 HD2 ARG 42 -13.708 -0.772 2.132 309 HE ARG 42 HE ARG 42 -15.661 -2.595 3.188 310 HH11 ARG 42 HH12 ARG 42 -14.123 0.531 3.878 311 HH12 ARG 42 HH11 ARG 42 -15.548 1.200 4.606 312 HH21 ARG 42 HH22 ARG 42 -17.474 -1.689 4.222 313 HH22 ARG 42 HH21 ARG 42 -17.396 -0.064 4.844 314 H VAL 43 H VAL 43 -10.299 -5.143 0.243 315 HA VAL 43 HA VAL 43 -8.290 -3.730 1.828 316 HB VAL 43 HB VAL 43 -7.447 -5.377 0.416 317 HG11 VAL 43 HG11 VAL 43 -8.659 -3.977 -1.993 318 HG12 VAL 43 HG12 VAL 43 -7.618 -5.422 -1.985 319 HG13 VAL 43 HG13 VAL 43 -9.226 -5.508 -1.283 320 HG21 VAL 43 HG21 VAL 43 -5.729 -4.241 -0.852 321 HG22 VAL 43 HG22 VAL 43 -6.676 -2.744 -0.914 322 HG23 VAL 43 HG23 VAL 43 -6.035 -3.330 0.637 323 H GLU 44 H GLU 44 -7.722 -1.595 1.785 324 HA GLU 44 HA GLU 44 -8.893 0.295 -0.229 325 HB2 GLU 44 HB1 GLU 44 -8.698 0.750 2.774 326 HB3 GLU 44 HB2 GLU 44 -9.210 1.947 1.566 327 HG2 GLU 44 HG1 GLU 44 -11.235 0.646 1.119 328 HG3 GLU 44 HG2 GLU 44 -10.713 -0.603 2.271 329 H LEU 45 H LEU 45 -7.262 1.851 -0.963 330 HA LEU 45 HA LEU 45 -4.687 1.822 0.432 331 HB2 LEU 45 HB1 LEU 45 -5.022 1.777 -2.092 332 HB3 LEU 45 HB2 LEU 45 -5.533 3.460 -1.996 333 HG LEU 45 HG LEU 45 -2.931 2.589 -0.681 334 HD11 LEU 45 HD11 LEU 45 -2.911 1.646 -2.951 335 HD12 LEU 45 HD12 LEU 45 -1.731 2.956 -2.746 336 HD13 LEU 45 HD13 LEU 45 -3.273 3.234 -3.628 337 HD21 LEU 45 HD21 LEU 45 -3.668 5.103 -2.240 338 HD22 LEU 45 HD22 LEU 45 -2.170 4.822 -1.314 339 HD23 LEU 45 HD23 LEU 45 -3.704 4.981 -0.460 340 H HIS 46 H HIS 46 -4.174 3.107 1.978 341 HA HIS 46 HA HIS 46 -5.586 5.697 2.352 342 HB2 HIS 46 HB1 HIS 46 -4.386 3.737 4.311 343 HB3 HIS 46 HB2 HIS 46 -4.666 5.434 4.754 344 HD2 HIS 46 HD2 HIS 46 -7.410 3.433 2.799 345 HE1 HIS 46 HE1 HIS 46 -8.859 4.199 6.691 346 HE2 HIS 46 HE2 HIS 46 -9.404 3.143 4.420 347 H GLU 47 H GLU 47 -4.419 7.426 3.192 348 HA GLU 47 HA GLU 47 -1.532 7.598 2.410 349 HB2 GLU 47 HB1 GLU 47 -1.851 9.934 2.015 350 HB3 GLU 47 HB2 GLU 47 -3.037 9.037 1.052 351 HG2 GLU 47 HG1 GLU 47 -4.809 9.603 2.584 352 HG3 GLU 47 HG2 GLU 47 -3.678 10.301 3.761 353 H THR 48 H THR 48 -0.479 9.511 3.656 354 HA THR 48 HA THR 48 -1.612 10.073 6.332 355 HB THR 48 HB THR 48 1.303 9.378 5.850 356 HG1 THR 48 HG1 THR 48 -0.774 7.909 6.276 357 HG21 THR 48 HG21 THR 48 1.448 9.575 8.351 358 HG22 THR 48 HG22 THR 48 -0.197 10.259 8.359 359 HG23 THR 48 HG23 THR 48 1.135 11.121 7.552 360 H PHE 49 H PHE 49 -2.208 12.101 5.863 361 HA PHE 49 HA PHE 49 -0.433 13.905 4.335 362 HB2 PHE 49 HB1 PHE 49 -2.355 15.388 4.230 363 HB3 PHE 49 HB2 PHE 49 -2.733 13.782 3.598 364 HD1 PHE 49 HD1 PHE 49 -4.270 12.271 4.872 365 HD2 PHE 49 HD2 PHE 49 -3.528 16.319 6.134 366 HE1 PHE 49 HE1 PHE 49 -6.271 12.184 6.317 367 HE2 PHE 49 HE2 PHE 49 -5.556 16.249 7.544 368 HZ PHE 49 HZ PHE 49 -6.934 14.166 7.630 369 H MET 50 H MET 50 0.079 16.002 5.098 370 HA MET 50 HA MET 50 0.390 16.222 8.051 371 HB2 MET 50 HB1 MET 50 1.908 18.057 7.598 372 HB3 MET 50 HB2 MET 50 2.405 16.571 6.768 373 HG2 MET 50 HG1 MET 50 1.562 17.446 4.647 374 HG3 MET 50 HG2 MET 50 0.921 18.893 5.460 375 HE1 MET 50 HE1 MET 50 4.046 17.071 4.011 376 HE2 MET 50 HE2 MET 50 5.395 17.985 4.711 377 HE3 MET 50 HE3 MET 50 4.401 16.946 5.749 378 H ARG 51 H ARG 51 -0.166 18.163 9.175 379 HA ARG 51 HA ARG 51 -1.966 20.129 8.009 380 HB2 ARG 51 HB1 ARG 51 -3.894 19.548 9.471 381 HB3 ARG 51 HB2 ARG 51 -3.584 18.342 8.207 382 HG2 ARG 51 HG1 ARG 51 -2.619 16.814 9.776 383 HG3 ARG 51 HG2 ARG 51 -2.576 18.031 11.070 384 HD2 ARG 51 HD1 ARG 51 -4.956 18.025 11.296 385 HD3 ARG 51 HD2 ARG 51 -5.150 17.034 9.827 386 HE ARG 51 HE ARG 51 -3.553 15.449 11.320 387 HH11 ARG 51 HH12 ARG 51 -6.505 17.059 12.407 388 HH12 ARG 51 HH11 ARG 51 -6.893 15.766 13.506 389 HH21 ARG 51 HH22 ARG 51 -4.025 13.922 12.667 390 HH22 ARG 51 HH21 ARG 51 -5.488 13.924 13.628 391 H GLU 52 H GLU 52 -2.507 21.804 9.362 392 HA GLU 52 HA GLU 52 -1.250 22.100 12.040 393 HB2 GLU 52 HB1 GLU 52 -2.803 23.932 10.234 394 HB3 GLU 52 HB2 GLU 52 -2.566 24.311 11.953 395 HG2 GLU 52 HG1 GLU 52 -0.321 23.764 10.007 396 HG3 GLU 52 HG2 GLU 52 -0.945 25.358 10.514 397 H VAL 53 H VAL 53 -2.801 23.005 13.573 398 HA VAL 53 HA VAL 53 -5.634 22.298 13.372 399 HB VAL 53 HB VAL 53 -4.240 21.304 15.881 400 HG11 VAL 53 HG11 VAL 53 -7.022 20.768 14.729 401 HG12 VAL 53 HG12 VAL 53 -6.382 20.137 16.261 402 HG13 VAL 53 HG13 VAL 53 -6.680 21.864 16.076 403 HG21 VAL 53 HG21 VAL 53 -4.598 18.993 15.153 404 HG22 VAL 53 HG22 VAL 53 -5.181 19.544 13.572 405 HG23 VAL 53 HG23 VAL 53 -3.488 19.803 14.050 406 H GLU 54 H GLU 54 -5.062 22.918 16.584 407 HA GLU 54 HA GLU 54 -5.577 25.767 16.548 408 HB2 GLU 54 HB1 GLU 54 -6.447 24.113 18.161 409 HB3 GLU 54 HB2 GLU 54 -4.788 23.765 18.680 410 HG2 GLU 54 HG1 GLU 54 -4.872 26.398 19.270 411 HG3 GLU 54 HG2 GLU 54 -6.612 26.058 19.360 412 H GLY 55 H GLY 55 -3.525 25.953 15.040 413 HA2 GLY 55 HA3 GLY 55 -1.410 26.746 14.670 414 HA3 GLY 55 HA2 GLY 55 -1.342 27.197 16.388 415 H LYS 56 H LYS 56 -1.890 23.922 16.305 416 HA LYS 56 HA LYS 56 0.943 23.180 16.586 417 HB2 LYS 56 HB1 LYS 56 0.046 21.468 18.103 418 HB3 LYS 56 HB2 LYS 56 -0.295 23.123 18.629 419 HG2 LYS 56 HG1 LYS 56 -2.634 22.743 17.562 420 HG3 LYS 56 HG2 LYS 56 -2.195 21.022 17.517 421 HD2 LYS 56 HD1 LYS 56 -3.533 21.458 19.487 422 HD3 LYS 56 HD2 LYS 56 -1.887 21.075 20.006 423 HE2 LYS 56 HE1 LYS 56 -1.420 23.372 20.515 424 HE3 LYS 56 HE2 LYS 56 -2.851 23.932 19.597 425 HZ1 LYS 56 HZ1 LYS 56 -2.945 22.533 22.209 426 HZ2 LYS 56 HZ2 LYS 56 -4.259 22.961 21.271 427 HZ3 LYS 56 HZ3 LYS 56 -3.376 24.104 21.837 428 H LYS 57 H LYS 57 1.760 21.598 15.357 429 HA LYS 57 HA LYS 57 0.049 20.744 13.100 430 HB2 LYS 57 HB1 LYS 57 2.274 20.351 11.952 431 HB3 LYS 57 HB2 LYS 57 1.717 22.010 12.200 432 HG2 LYS 57 HG1 LYS 57 3.476 21.088 14.371 433 HG3 LYS 57 HG2 LYS 57 4.238 20.953 12.755 434 HD2 LYS 57 HD1 LYS 57 4.801 23.113 13.675 435 HD3 LYS 57 HD2 LYS 57 3.671 23.332 12.316 436 HE2 LYS 57 HE1 LYS 57 1.823 23.347 14.118 437 HE3 LYS 57 HE2 LYS 57 3.097 23.555 15.308 438 HZ1 LYS 57 HZ1 LYS 57 2.122 25.629 14.593 439 HZ2 LYS 57 HZ2 LYS 57 2.410 25.298 13.038 440 HZ3 LYS 57 HZ3 LYS 57 3.700 25.623 14.040 441 H VAL 58 H VAL 58 0.037 18.747 12.212 442 HA VAL 58 HA VAL 58 0.983 16.416 13.783 443 HB VAL 58 HB VAL 58 -1.987 16.654 13.281 444 HG11 VAL 58 HG11 VAL 58 -1.082 14.435 13.977 445 HG12 VAL 58 HG12 VAL 58 -0.374 15.180 15.418 446 HG13 VAL 58 HG13 VAL 58 -2.137 15.102 15.211 447 HG21 VAL 58 HG21 VAL 58 -1.577 18.654 14.662 448 HG22 VAL 58 HG22 VAL 58 -2.435 17.416 15.571 449 HG23 VAL 58 HG23 VAL 58 -0.700 17.664 15.853 450 H MET 59 H MET 59 0.389 14.358 12.680 451 HA MET 59 HA MET 59 -0.029 14.556 9.749 452 HB2 MET 59 HB1 MET 59 0.428 12.220 9.683 453 HB3 MET 59 HB2 MET 59 1.691 13.054 10.607 454 HG2 MET 59 HG1 MET 59 0.126 12.363 12.664 455 HG3 MET 59 HG2 MET 59 -0.453 11.135 11.522 456 HE1 MET 59 HE1 MET 59 3.798 11.523 13.267 457 HE2 MET 59 HE2 MET 59 3.014 12.820 12.341 458 HE3 MET 59 HE3 MET 59 2.349 12.316 13.915 459 H GLY 60 H GLY 60 -1.710 13.003 8.825 460 HA2 GLY 60 HA3 GLY 60 -3.826 12.030 10.597 461 HA3 GLY 60 HA2 GLY 60 -4.344 13.254 9.415 462 H MET 61 H MET 61 -5.018 10.345 9.625 463 HA MET 61 HA MET 61 -4.011 9.364 6.977 464 HB2 MET 61 HB1 MET 61 -5.077 7.854 9.388 465 HB3 MET 61 HB2 MET 61 -4.693 7.126 7.800 466 HG2 MET 61 HG1 MET 61 -2.859 6.664 9.173 467 HG3 MET 61 HG2 MET 61 -2.342 7.934 8.066 468 HE1 MET 61 HE1 MET 61 -0.747 6.981 10.730 469 HE2 MET 61 HE2 MET 61 -0.229 8.115 9.468 470 HE3 MET 61 HE3 MET 61 -0.145 8.591 11.181 471 H ARG 62 H ARG 62 -5.507 8.338 5.607 472 HA ARG 62 HA ARG 62 -8.298 8.110 6.076 473 HB2 ARG 62 HB1 ARG 62 -9.179 9.692 4.448 474 HB3 ARG 62 HB2 ARG 62 -8.358 10.570 5.738 475 HG2 ARG 62 HG1 ARG 62 -6.533 11.139 4.326 476 HG3 ARG 62 HG2 ARG 62 -6.988 9.912 3.104 477 HD2 ARG 62 HD1 ARG 62 -7.530 11.954 2.147 478 HD3 ARG 62 HD2 ARG 62 -9.052 11.186 2.624 479 HE ARG 62 HE ARG 62 -9.364 12.850 4.265 480 HH11 ARG 62 HH12 ARG 62 -6.194 13.360 2.740 481 HH12 ARG 62 HH11 ARG 62 -6.248 15.078 2.969 482 HH21 ARG 62 HH22 ARG 62 -9.403 15.077 4.509 483 HH22 ARG 62 HH21 ARG 62 -8.025 16.025 4.013 484 HA PRO 63 HA PRO 63 -7.523 5.772 2.220 485 HB2 PRO 63 HB1 PRO 63 -10.140 5.743 1.210 486 HB3 PRO 63 HB2 PRO 63 -9.333 4.449 2.110 487 HG2 PRO 63 HG1 PRO 63 -11.450 6.172 3.003 488 HG3 PRO 63 HG2 PRO 63 -10.647 4.855 3.928 489 HD2 PRO 63 HD1 PRO 63 -10.325 7.778 4.127 490 HD3 PRO 63 HD2 PRO 63 -9.772 6.516 5.244 491 H VAL 64 H VAL 64 -7.426 6.230 0.028 492 HA VAL 64 HA VAL 64 -8.305 8.946 -0.875 493 HB VAL 64 HB VAL 64 -6.254 8.859 -2.419 494 HG11 VAL 64 HG11 VAL 64 -5.841 9.297 0.558 495 HG12 VAL 64 HG12 VAL 64 -4.816 9.941 -0.748 496 HG13 VAL 64 HG13 VAL 64 -6.500 10.471 -0.604 497 HG21 VAL 64 HG21 VAL 64 -5.142 6.981 -0.292 498 HG22 VAL 64 HG22 VAL 64 -5.585 6.501 -1.948 499 HG23 VAL 64 HG23 VAL 64 -4.280 7.667 -1.678 500 HA PRO 65 HA PRO 65 -10.085 6.697 -4.254 501 HB2 PRO 65 HB1 PRO 65 -9.990 8.456 -6.340 502 HB3 PRO 65 HB2 PRO 65 -11.054 8.696 -4.919 503 HG2 PRO 65 HG1 PRO 65 -8.301 9.884 -5.391 504 HG3 PRO 65 HG2 PRO 65 -9.808 10.747 -4.919 505 HD2 PRO 65 HD1 PRO 65 -7.978 9.985 -3.058 506 HD3 PRO 65 HD2 PRO 65 -9.729 9.847 -2.725 507 H PHE 66 H PHE 66 -6.708 7.719 -4.366 508 HA PHE 66 HA PHE 66 -5.793 5.502 -5.770 509 HB2 PHE 66 HB1 PHE 66 -5.020 6.503 -7.871 510 HB3 PHE 66 HB2 PHE 66 -6.773 6.353 -7.803 511 HD1 PHE 66 HD1 PHE 66 -3.939 8.792 -7.556 512 HD2 PHE 66 HD2 PHE 66 -8.186 8.253 -8.083 513 HE1 PHE 66 HE1 PHE 66 -4.157 11.167 -8.202 514 HE2 PHE 66 HE2 PHE 66 -8.399 10.634 -8.749 515 HZ PHE 66 HZ PHE 66 -6.380 12.096 -8.812 516 H LEU 67 H LEU 67 -3.560 5.723 -6.351 517 HA LEU 67 HA LEU 67 -2.048 8.038 -5.297 518 HB2 LEU 67 HB1 LEU 67 -1.754 5.211 -4.670 519 HB3 LEU 67 HB2 LEU 67 -0.333 5.724 -5.596 520 HG LEU 67 HG LEU 67 -1.386 6.968 -3.026 521 HD11 LEU 67 HD11 LEU 67 1.093 5.287 -3.753 522 HD12 LEU 67 HD12 LEU 67 -0.268 4.762 -2.739 523 HD13 LEU 67 HD13 LEU 67 0.833 6.026 -2.175 524 HD21 LEU 67 HD21 LEU 67 0.820 8.244 -3.070 525 HD22 LEU 67 HD22 LEU 67 -0.280 8.754 -4.345 526 HD23 LEU 67 HD23 LEU 67 1.082 7.673 -4.726 527 H GLU 68 H GLU 68 0.169 8.110 -6.630 528 HA GLU 68 HA GLU 68 0.041 6.951 -9.274 529 HB2 GLU 68 HB1 GLU 68 -0.160 8.870 -10.588 530 HB3 GLU 68 HB2 GLU 68 -1.514 8.908 -9.452 531 HG2 GLU 68 HG1 GLU 68 -0.213 10.587 -8.079 532 HG3 GLU 68 HG2 GLU 68 1.041 10.559 -9.347 533 H VAL 69 H VAL 69 1.870 7.554 -10.593 534 HA VAL 69 HA VAL 69 4.259 8.173 -8.960 535 HB VAL 69 HB VAL 69 3.887 5.494 -10.412 536 HG11 VAL 69 HG11 VAL 69 6.013 4.819 -9.337 537 HG12 VAL 69 HG12 VAL 69 6.257 6.196 -10.407 538 HG13 VAL 69 HG13 VAL 69 6.195 6.445 -8.648 539 HG21 VAL 69 HG21 VAL 69 4.007 4.427 -8.172 540 HG22 VAL 69 HG22 VAL 69 3.937 6.028 -7.413 541 HG23 VAL 69 HG23 VAL 69 2.565 5.412 -8.370 542 HA PRO 70 HA PRO 70 5.314 9.786 -12.985 543 HB2 PRO 70 HB1 PRO 70 7.812 10.778 -12.534 544 HB3 PRO 70 HB2 PRO 70 6.335 11.509 -11.836 545 HG2 PRO 70 HG1 PRO 70 8.232 9.528 -10.528 546 HG3 PRO 70 HG2 PRO 70 7.628 11.084 -9.853 547 HD2 PRO 70 HD1 PRO 70 6.462 8.692 -9.239 548 HD3 PRO 70 HD2 PRO 70 5.486 10.174 -9.452 549 HA PRO 71 HA PRO 71 7.558 6.718 -15.231 550 HB2 PRO 71 HB1 PRO 71 8.981 8.215 -17.085 551 HB3 PRO 71 HB2 PRO 71 7.253 7.732 -17.157 552 HG2 PRO 71 HG1 PRO 71 8.413 10.368 -16.345 553 HG3 PRO 71 HG2 PRO 71 6.894 10.012 -17.269 554 HD2 PRO 71 HD1 PRO 71 6.897 10.651 -14.613 555 HD3 PRO 71 HD2 PRO 71 5.704 9.552 -15.346 556 H LYS 72 H LYS 72 9.310 5.476 -15.104 557 HA LYS 72 HA LYS 72 11.230 4.605 -14.270 558 HB2 LYS 72 HB1 LYS 72 12.164 7.352 -15.039 559 HB3 LYS 72 HB2 LYS 72 13.277 6.199 -14.260 560 HG2 LYS 72 HG1 LYS 72 13.326 6.304 -16.766 561 HG3 LYS 72 HG2 LYS 72 13.211 4.702 -16.040 562 HD2 LYS 72 HD1 LYS 72 10.776 4.699 -16.582 563 HD3 LYS 72 HD2 LYS 72 10.949 6.262 -17.378 564 HE2 LYS 72 HE1 LYS 72 12.407 3.698 -18.170 565 HE3 LYS 72 HE2 LYS 72 10.909 4.320 -18.929 566 HZ1 LYS 72 HZ1 LYS 72 13.584 5.580 -19.047 567 HZ2 LYS 72 HZ2 LYS 72 12.174 6.306 -19.536 568 HZ3 LYS 72 HZ3 LYS 72 12.618 4.992 -20.282 569 H GLY 73 H GLY 73 9.472 6.560 -12.605 570 HA2 GLY 73 HA3 GLY 73 10.965 7.011 -10.151 571 HA3 GLY 73 HA2 GLY 73 9.226 7.281 -10.410 572 H ARG 74 H ARG 74 11.492 5.511 -8.954 573 HA ARG 74 HA ARG 74 9.605 3.363 -8.119 574 HB2 ARG 74 HB1 ARG 74 11.888 2.628 -8.854 575 HB3 ARG 74 HB2 ARG 74 12.569 3.531 -7.489 576 HG2 ARG 74 HG1 ARG 74 11.260 2.125 -5.918 577 HG3 ARG 74 HG2 ARG 74 10.569 1.245 -7.299 578 HD2 ARG 74 HD1 ARG 74 13.217 0.963 -7.844 579 HD3 ARG 74 HD2 ARG 74 13.313 1.099 -6.090 580 HE ARG 74 HE ARG 74 11.498 -0.863 -7.471 581 HH11 ARG 74 HH12 ARG 74 13.627 -0.387 -4.665 582 HH12 ARG 74 HH11 ARG 74 13.479 -2.061 -4.242 583 HH21 ARG 74 HH22 ARG 74 11.518 -2.820 -7.042 584 HH22 ARG 74 HH21 ARG 74 12.256 -3.473 -5.577 585 H VAL 75 H VAL 75 8.690 3.472 -6.175 586 HA VAL 75 HA VAL 75 9.776 5.168 -3.988 587 HB VAL 75 HB VAL 75 7.603 6.305 -3.596 588 HG11 VAL 75 HG11 VAL 75 8.712 6.981 -6.346 589 HG12 VAL 75 HG12 VAL 75 7.828 8.054 -5.248 590 HG13 VAL 75 HG13 VAL 75 9.440 7.475 -4.797 591 HG21 VAL 75 HG21 VAL 75 5.921 6.479 -5.402 592 HG22 VAL 75 HG22 VAL 75 6.803 5.276 -6.358 593 HG23 VAL 75 HG23 VAL 75 6.052 4.819 -4.814 594 H GLU 76 H GLU 76 8.894 4.711 -1.887 595 HA GLU 76 HA GLU 76 7.461 2.106 -1.759 596 HB2 GLU 76 HB1 GLU 76 8.356 2.930 0.806 597 HB3 GLU 76 HB2 GLU 76 8.766 1.482 -0.150 598 HG2 GLU 76 HG1 GLU 76 10.815 2.446 0.455 599 HG3 GLU 76 HG2 GLU 76 10.611 2.881 -1.237 600 H LEU 77 H LEU 77 5.497 1.892 -1.086 601 HA LEU 77 HA LEU 77 3.899 4.007 0.162 602 HB2 LEU 77 HB1 LEU 77 3.508 1.070 -0.487 603 HB3 LEU 77 HB2 LEU 77 2.396 1.936 0.615 604 HG LEU 77 HG LEU 77 1.977 3.577 -1.253 605 HD11 LEU 77 HD11 LEU 77 3.852 3.108 -2.762 606 HD12 LEU 77 HD12 LEU 77 2.338 2.727 -3.581 607 HD13 LEU 77 HD13 LEU 77 3.339 1.413 -2.926 608 HD21 LEU 77 HD21 LEU 77 0.335 1.917 -0.613 609 HD22 LEU 77 HD22 LEU 77 1.141 0.674 -1.600 610 HD23 LEU 77 HD23 LEU 77 0.360 2.064 -2.378 611 H LYS 78 H LYS 78 5.469 4.551 1.716 612 HA LYS 78 HA LYS 78 6.181 2.686 3.829 613 HB2 LYS 78 HB1 LYS 78 7.439 4.597 4.702 614 HB3 LYS 78 HB2 LYS 78 7.718 4.381 2.960 615 HG2 LYS 78 HG1 LYS 78 5.815 6.206 2.725 616 HG3 LYS 78 HG2 LYS 78 6.196 6.550 4.430 617 HD2 LYS 78 HD1 LYS 78 7.558 8.063 3.224 618 HD3 LYS 78 HD2 LYS 78 8.658 6.734 3.638 619 HE2 LYS 78 HE1 LYS 78 7.949 5.726 1.345 620 HE3 LYS 78 HE2 LYS 78 7.284 7.307 0.960 621 HZ1 LYS 78 HZ1 LYS 78 10.078 6.586 1.587 622 HZ2 LYS 78 HZ2 LYS 78 9.606 8.180 1.329 623 HZ3 LYS 78 HZ3 LYS 78 9.552 6.971 0.170 624 HA PRO 79 HA PRO 79 2.713 3.128 6.498 625 HB2 PRO 79 HB1 PRO 79 3.916 3.455 9.031 626 HB3 PRO 79 HB2 PRO 79 3.522 1.917 8.224 627 HG2 PRO 79 HG1 PRO 79 6.146 3.387 8.289 628 HG3 PRO 79 HG2 PRO 79 5.852 1.615 8.384 629 HD2 PRO 79 HD1 PRO 79 6.692 2.774 6.082 630 HD3 PRO 79 HD2 PRO 79 5.459 1.479 6.046 631 H GLY 80 H GLY 80 5.251 5.501 7.560 632 HA2 GLY 80 HA3 GLY 80 3.242 7.600 7.994 633 HA3 GLY 80 HA2 GLY 80 5.007 7.748 8.155 634 H GLY 81 H GLY 81 2.485 7.191 5.700 635 HA2 GLY 81 HA3 GLY 81 3.251 9.180 3.816 636 HA3 GLY 81 HA2 GLY 81 4.088 7.664 3.414 637 H TYR 82 H TYR 82 2.702 5.723 3.196 638 HA TYR 82 HA TYR 82 -0.092 5.991 2.340 639 HB2 TYR 82 HB1 TYR 82 2.054 5.285 0.324 640 HB3 TYR 82 HB2 TYR 82 0.304 5.299 0.056 641 HD1 TYR 82 HD1 TYR 82 -0.925 7.520 0.056 642 HD2 TYR 82 HD2 TYR 82 3.379 7.235 0.096 643 HE1 TYR 82 HE1 TYR 82 -0.768 9.904 -0.627 644 HE2 TYR 82 HE2 TYR 82 3.549 9.615 -0.578 645 HH TYR 82 HH TYR 82 0.631 11.632 -1.105 646 H HIS 83 H HIS 83 -1.105 3.905 2.292 647 HA HIS 83 HA HIS 83 0.410 1.448 2.333 648 HB2 HIS 83 HB1 HIS 83 -0.042 0.888 4.728 649 HB3 HIS 83 HB2 HIS 83 1.185 2.134 4.507 650 HD1 HIS 83 HD1 HIS 83 0.610 4.556 5.610 651 HD2 HIS 83 HD2 HIS 83 -2.421 1.640 5.782 652 HE1 HIS 83 HE1 HIS 83 -1.214 5.495 7.100 653 H PHE 84 H PHE 84 -0.978 -0.442 2.784 654 HA PHE 84 HA PHE 84 -3.757 0.102 1.830 655 HB2 PHE 84 HB1 PHE 84 -1.953 -2.324 1.841 656 HB3 PHE 84 HB2 PHE 84 -3.692 -2.428 1.490 657 HD1 PHE 84 HD2 PHE 84 -4.539 -0.678 -0.358 658 HD2 PHE 84 HD1 PHE 84 -0.502 -2.161 0.010 659 HE1 PHE 84 HE2 PHE 84 -4.185 -0.343 -2.786 660 HE2 PHE 84 HE1 PHE 84 -0.135 -1.726 -2.407 661 HZ PHE 84 HZ PHE 84 -1.968 -0.792 -3.799 662 H MET 85 H MET 85 -5.409 -0.004 3.178 663 HA MET 85 HA MET 85 -5.243 -1.317 5.830 664 HB2 MET 85 HB1 MET 85 -7.245 0.386 4.343 665 HB3 MET 85 HB2 MET 85 -7.739 -0.564 5.762 666 HG2 MET 85 HG1 MET 85 -5.484 1.439 5.833 667 HG3 MET 85 HG2 MET 85 -7.196 1.796 6.226 668 HE1 MET 85 HE1 MET 85 -3.972 1.386 7.773 669 HE2 MET 85 HE2 MET 85 -4.082 0.056 8.950 670 HE3 MET 85 HE3 MET 85 -4.044 -0.304 7.211 671 H LEU 86 H LEU 86 -5.625 -3.345 6.037 672 HA LEU 86 HA LEU 86 -7.134 -4.908 3.985 673 HB2 LEU 86 HB1 LEU 86 -5.247 -5.654 6.257 674 HB3 LEU 86 HB2 LEU 86 -5.968 -6.805 5.136 675 HG LEU 86 HG LEU 86 -3.837 -4.701 4.604 676 HD11 LEU 86 HD11 LEU 86 -3.927 -7.735 4.309 677 HD12 LEU 86 HD12 LEU 86 -3.065 -6.816 5.562 678 HD13 LEU 86 HD13 LEU 86 -2.554 -6.716 3.866 679 HD21 LEU 86 HD21 LEU 86 -3.789 -5.404 2.238 680 HD22 LEU 86 HD22 LEU 86 -5.310 -4.605 2.638 681 HD23 LEU 86 HD23 LEU 86 -5.250 -6.376 2.485 682 H LEU 87 H LEU 87 -9.324 -4.156 4.760 683 HA LEU 87 HA LEU 87 -10.042 -4.823 7.547 684 HB2 LEU 87 HB1 LEU 87 -11.604 -3.787 5.173 685 HB3 LEU 87 HB2 LEU 87 -12.391 -4.238 6.696 686 HG LEU 87 HG LEU 87 -12.109 -1.811 6.321 687 HD11 LEU 87 HD11 LEU 87 -10.667 -2.875 8.774 688 HD12 LEU 87 HD12 LEU 87 -12.425 -2.712 8.585 689 HD13 LEU 87 HD13 LEU 87 -11.390 -1.271 8.597 690 HD21 LEU 87 HD21 LEU 87 -9.146 -2.236 6.857 691 HD22 LEU 87 HD22 LEU 87 -9.995 -0.698 6.608 692 HD23 LEU 87 HD23 LEU 87 -9.852 -1.846 5.263 693 H GLY 88 H GLY 88 -10.746 -6.713 8.241 694 HA2 GLY 88 HA3 GLY 88 -11.928 -8.715 8.306 695 HA3 GLY 88 HA2 GLY 88 -12.485 -8.436 6.640 696 H LEU 89 H LEU 89 -9.518 -9.387 8.534 697 HA LEU 89 HA LEU 89 -8.306 -10.464 6.120 698 HB2 LEU 89 HB1 LEU 89 -7.369 -10.981 8.919 699 HB3 LEU 89 HB2 LEU 89 -6.480 -11.174 7.387 700 HG LEU 89 HG LEU 89 -7.376 -8.436 7.553 701 HD11 LEU 89 HD11 LEU 89 -7.680 -8.899 9.909 702 HD12 LEU 89 HD12 LEU 89 -6.257 -7.839 9.703 703 HD13 LEU 89 HD13 LEU 89 -6.039 -9.577 10.034 704 HD21 LEU 89 HD21 LEU 89 -5.325 -9.235 6.373 705 HD22 LEU 89 HD22 LEU 89 -4.575 -9.537 7.962 706 HD23 LEU 89 HD23 LEU 89 -5.026 -7.891 7.492 707 H LYS 90 H LYS 90 -9.791 -11.814 5.337 708 HA LYS 90 HA LYS 90 -10.839 -14.196 6.431 709 HB2 LYS 90 HB1 LYS 90 -11.165 -14.897 4.135 710 HB3 LYS 90 HB2 LYS 90 -11.509 -13.165 4.286 711 HG2 LYS 90 HG1 LYS 90 -8.764 -13.344 3.653 712 HG3 LYS 90 HG2 LYS 90 -9.504 -14.581 2.643 713 HD2 LYS 90 HD1 LYS 90 -10.582 -11.752 2.762 714 HD3 LYS 90 HD2 LYS 90 -9.193 -12.198 1.726 715 HE2 LYS 90 HE1 LYS 90 -10.587 -13.789 0.502 716 HE3 LYS 90 HE2 LYS 90 -11.983 -13.361 1.539 717 HZ1 LYS 90 HZ1 LYS 90 -12.221 -11.398 0.582 718 HZ2 LYS 90 HZ2 LYS 90 -11.663 -12.138 -0.717 719 HZ3 LYS 90 HZ3 LYS 90 -10.647 -11.153 0.172 720 H ARG 91 H ARG 91 -7.559 -13.542 6.105 721 HA ARG 91 HA ARG 91 -6.919 -16.318 6.848 722 HB2 ARG 91 HB1 ARG 91 -5.348 -14.698 4.806 723 HB3 ARG 91 HB2 ARG 91 -4.746 -16.173 5.607 724 HG2 ARG 91 HG1 ARG 91 -6.584 -17.472 4.599 725 HG3 ARG 91 HG2 ARG 91 -7.191 -16.020 3.775 726 HD2 ARG 91 HD1 ARG 91 -5.235 -15.824 2.434 727 HD3 ARG 91 HD2 ARG 91 -4.337 -17.001 3.405 728 HE ARG 91 HE ARG 91 -6.270 -17.517 1.281 729 HH11 ARG 91 HH12 ARG 91 -4.837 -18.972 4.156 730 HH12 ARG 91 HH11 ARG 91 -5.079 -20.595 3.596 731 HH21 ARG 91 HH22 ARG 91 -6.477 -19.661 0.551 732 HH22 ARG 91 HH21 ARG 91 -5.953 -20.974 1.563 733 HA PRO 92 HA PRO 92 -4.560 -13.664 9.763 734 HB2 PRO 92 HB1 PRO 92 -3.355 -15.612 11.247 735 HB3 PRO 92 HB2 PRO 92 -5.084 -15.187 11.451 736 HG2 PRO 92 HG1 PRO 92 -3.904 -17.465 9.844 737 HG3 PRO 92 HG2 PRO 92 -5.278 -17.519 11.003 738 HD2 PRO 92 HD1 PRO 92 -5.622 -17.323 8.280 739 HD3 PRO 92 HD2 PRO 92 -6.741 -16.550 9.442 740 H LEU 93 H LEU 93 -2.498 -12.944 9.592 741 HA LEU 93 HA LEU 93 -0.958 -13.876 7.288 742 HB2 LEU 93 HB1 LEU 93 -1.073 -11.449 9.061 743 HB3 LEU 93 HB2 LEU 93 0.375 -11.700 8.067 744 HG LEU 93 HG LEU 93 -1.306 -10.151 7.102 745 HD11 LEU 93 HD11 LEU 93 -1.173 -11.060 4.810 746 HD12 LEU 93 HD12 LEU 93 -0.689 -12.638 5.448 747 HD13 LEU 93 HD13 LEU 93 0.354 -11.216 5.679 748 HD21 LEU 93 HD21 LEU 93 -3.340 -10.917 6.099 749 HD22 LEU 93 HD22 LEU 93 -3.363 -11.448 7.790 750 HD23 LEU 93 HD23 LEU 93 -2.991 -12.608 6.497 751 H LYS 94 H LYS 94 -0.120 -15.929 8.083 752 HA LYS 94 HA LYS 94 1.521 -15.998 10.441 753 HB2 LYS 94 HB1 LYS 94 0.140 -17.810 9.020 754 HB3 LYS 94 HB2 LYS 94 1.701 -18.061 8.259 755 HG2 LYS 94 HG1 LYS 94 1.044 -18.290 11.209 756 HG3 LYS 94 HG2 LYS 94 1.302 -19.646 10.112 757 HD2 LYS 94 HD1 LYS 94 3.487 -17.611 10.528 758 HD3 LYS 94 HD2 LYS 94 3.154 -18.849 11.776 759 HE2 LYS 94 HE1 LYS 94 4.919 -19.720 10.486 760 HE3 LYS 94 HE2 LYS 94 3.473 -20.599 9.963 761 HZ1 LYS 94 HZ1 LYS 94 4.810 -19.874 8.047 762 HZ2 LYS 94 HZ2 LYS 94 4.682 -18.306 8.492 763 HZ3 LYS 94 HZ3 LYS 94 3.391 -19.226 8.003 764 H ALA 95 H ALA 95 3.330 -14.746 10.465 765 HA ALA 95 HA ALA 95 5.010 -13.862 8.492 766 HB1 ALA 95 HB1 ALA 95 5.242 -13.333 10.909 767 HB2 ALA 95 HB2 ALA 95 5.884 -14.972 11.194 768 HB3 ALA 95 HB3 ALA 95 6.786 -13.825 10.189 769 H GLY 96 H GLY 96 6.249 -14.626 6.967 770 HA2 GLY 96 HA3 GLY 96 8.004 -16.131 6.242 771 HA3 GLY 96 HA2 GLY 96 7.154 -17.456 7.071 772 H GLU 97 H GLU 97 4.446 -16.372 5.732 773 HA GLU 97 HA GLU 97 4.912 -18.059 3.352 774 HB2 GLU 97 HB1 GLU 97 2.294 -16.780 3.625 775 HB3 GLU 97 HB2 GLU 97 2.714 -18.406 3.103 776 HG2 GLU 97 HG1 GLU 97 2.232 -17.350 5.863 777 HG3 GLU 97 HG2 GLU 97 1.289 -18.524 4.921 778 H GLU 98 H GLU 98 3.712 -17.403 1.308 779 HA GLU 98 HA GLU 98 4.480 -14.707 0.416 780 HB2 GLU 98 HB1 GLU 98 3.258 -17.012 -1.130 781 HB3 GLU 98 HB2 GLU 98 4.000 -15.532 -1.792 782 HG2 GLU 98 HG1 GLU 98 5.764 -16.913 -2.072 783 HG3 GLU 98 HG2 GLU 98 6.121 -16.445 -0.415 784 H VAL 99 H VAL 99 3.099 -13.053 0.069 785 HA VAL 99 HA VAL 99 0.154 -13.575 -0.239 786 HB VAL 99 HB VAL 99 1.583 -10.934 0.319 787 HG11 VAL 99 HG11 VAL 99 -0.314 -10.425 -1.098 788 HG12 VAL 99 HG12 VAL 99 -1.351 -11.566 -0.205 789 HG13 VAL 99 HG13 VAL 99 -0.793 -10.065 0.556 790 HG21 VAL 99 HG21 VAL 99 0.193 -11.135 2.461 791 HG22 VAL 99 HG22 VAL 99 -0.082 -12.830 2.014 792 HG23 VAL 99 HG23 VAL 99 1.563 -12.242 2.294 793 H GLU 100 H GLU 100 -0.367 -13.878 -2.271 794 HA GLU 100 HA GLU 100 0.867 -12.296 -4.448 795 HB2 GLU 100 HB1 GLU 100 -1.345 -14.346 -4.372 796 HB3 GLU 100 HB2 GLU 100 -1.153 -13.225 -5.751 797 HG2 GLU 100 HG1 GLU 100 1.426 -14.207 -5.340 798 HG3 GLU 100 HG2 GLU 100 0.402 -15.624 -5.037 799 H LEU 101 H LEU 101 -0.027 -10.591 -5.440 800 HA LEU 101 HA LEU 101 -2.455 -9.327 -4.342 801 HB2 LEU 101 HB1 LEU 101 0.255 -8.826 -3.481 802 HB3 LEU 101 HB2 LEU 101 -0.383 -7.367 -4.250 803 HG LEU 101 HG LEU 101 -1.904 -8.810 -2.090 804 HD11 LEU 101 HD11 LEU 101 -0.975 -7.136 -0.539 805 HD12 LEU 101 HD12 LEU 101 0.076 -6.523 -1.853 806 HD13 LEU 101 HD13 LEU 101 0.293 -8.175 -1.223 807 HD21 LEU 101 HD21 LEU 101 -1.908 -5.875 -2.951 808 HD22 LEU 101 HD22 LEU 101 -3.057 -6.658 -1.854 809 HD23 LEU 101 HD23 LEU 101 -3.060 -7.047 -3.587 810 H ASP 102 H ASP 102 -3.569 -8.615 -5.915 811 HA ASP 102 HA ASP 102 -2.598 -7.981 -8.629 812 HB2 ASP 102 HB1 ASP 102 -5.274 -7.924 -7.219 813 HB3 ASP 102 HB2 ASP 102 -5.072 -7.449 -8.902 814 H LEU 103 H LEU 103 -1.307 -6.043 -8.384 815 HA LEU 103 HA LEU 103 -2.359 -3.671 -7.072 816 HB2 LEU 103 HB1 LEU 103 -0.199 -3.961 -9.190 817 HB3 LEU 103 HB2 LEU 103 -0.433 -2.570 -8.124 818 HG LEU 103 HG LEU 103 0.420 -5.381 -7.278 819 HD11 LEU 103 HD11 LEU 103 2.130 -4.167 -8.561 820 HD12 LEU 103 HD12 LEU 103 2.608 -4.320 -6.863 821 HD13 LEU 103 HD13 LEU 103 1.970 -2.778 -7.468 822 HD21 LEU 103 HD21 LEU 103 -0.842 -4.294 -5.458 823 HD22 LEU 103 HD22 LEU 103 0.164 -2.833 -5.612 824 HD23 LEU 103 HD23 LEU 103 0.877 -4.369 -5.063 825 H LEU 104 H LEU 104 -3.927 -2.339 -7.837 826 HA LEU 104 HA LEU 104 -4.939 -2.812 -10.584 827 HB2 LEU 104 HB1 LEU 104 -6.200 -1.174 -8.369 828 HB3 LEU 104 HB2 LEU 104 -6.979 -1.781 -9.839 829 HG LEU 104 HG LEU 104 -6.080 -3.360 -7.438 830 HD11 LEU 104 HD11 LEU 104 -8.122 -2.046 -7.103 831 HD12 LEU 104 HD12 LEU 104 -8.471 -3.782 -7.097 832 HD13 LEU 104 HD13 LEU 104 -8.859 -2.805 -8.532 833 HD21 LEU 104 HD21 LEU 104 -5.755 -4.778 -9.407 834 HD22 LEU 104 HD22 LEU 104 -7.385 -4.389 -10.000 835 HD23 LEU 104 HD23 LEU 104 -7.166 -5.341 -8.511 836 H PHE 105 H PHE 105 -4.855 -1.328 -12.187 837 HA PHE 105 HA PHE 105 -3.917 1.456 -11.531 838 HB2 PHE 105 HB1 PHE 105 -3.006 -0.483 -13.677 839 HB3 PHE 105 HB2 PHE 105 -2.572 1.223 -13.675 840 HD1 PHE 105 HD2 PHE 105 -1.042 2.114 -11.907 841 HD2 PHE 105 HD1 PHE 105 -1.871 -2.105 -12.299 842 HE1 PHE 105 HE2 PHE 105 1.025 1.581 -10.630 843 HE2 PHE 105 HE1 PHE 105 0.188 -2.620 -11.035 844 HZ PHE 105 HZ PHE 105 1.642 -0.788 -10.203 845 H ALA 106 H ALA 106 -4.564 3.097 -12.814 846 HA ALA 106 HA ALA 106 -7.198 3.074 -13.674 847 HB1 ALA 106 HB1 ALA 106 -6.761 5.358 -14.481 848 HB2 ALA 106 HB2 ALA 106 -5.967 5.061 -12.922 849 HB3 ALA 106 HB3 ALA 106 -5.011 5.050 -14.427 850 H GLY 107 H GLY 107 -8.343 2.870 -15.487 851 HA2 GLY 107 HA3 GLY 107 -8.914 2.643 -17.701 852 HA3 GLY 107 HA2 GLY 107 -7.260 3.125 -18.141 853 H GLY 108 H GLY 108 -8.522 0.276 -16.335 854 HA2 GLY 108 HA3 GLY 108 -8.782 -1.899 -16.990 855 HA3 GLY 108 HA2 GLY 108 -8.254 -1.442 -18.625 856 H LYS 109 H LYS 109 -6.043 -0.910 -15.854 857 HA LYS 109 HA LYS 109 -4.434 -3.260 -16.769 858 HB2 LYS 109 HB1 LYS 109 -3.743 -0.489 -15.838 859 HB3 LYS 109 HB2 LYS 109 -2.673 -1.856 -15.405 860 HG2 LYS 109 HG1 LYS 109 -1.700 -0.943 -17.288 861 HG3 LYS 109 HG2 LYS 109 -2.531 -2.393 -17.858 862 HD2 LYS 109 HD1 LYS 109 -2.861 -0.607 -19.464 863 HD3 LYS 109 HD2 LYS 109 -4.412 -0.902 -18.662 864 HE2 LYS 109 HE1 LYS 109 -3.860 1.005 -17.088 865 HE3 LYS 109 HE2 LYS 109 -2.399 1.320 -18.035 866 HZ1 LYS 109 HZ1 LYS 109 -4.363 2.692 -18.599 867 HZ2 LYS 109 HZ2 LYS 109 -5.157 1.364 -19.115 868 HZ3 LYS 109 HZ3 LYS 109 -3.802 1.845 -19.915 869 H VAL 110 H VAL 110 -3.773 -4.727 -15.290 870 HA VAL 110 HA VAL 110 -3.627 -4.093 -12.483 871 HB VAL 110 HB VAL 110 -5.800 -5.025 -12.551 872 HG11 VAL 110 HG11 VAL 110 -5.854 -6.132 -14.710 873 HG12 VAL 110 HG12 VAL 110 -4.761 -7.408 -14.118 874 HG13 VAL 110 HG13 VAL 110 -6.392 -7.234 -13.441 875 HG21 VAL 110 HG21 VAL 110 -3.980 -7.320 -11.682 876 HG22 VAL 110 HG22 VAL 110 -4.262 -5.857 -10.724 877 HG23 VAL 110 HG23 VAL 110 -5.611 -6.953 -11.091 878 H LEU 111 H LEU 111 -1.872 -5.081 -11.590 879 HA LEU 111 HA LEU 111 -0.341 -7.107 -13.195 880 HB2 LEU 111 HB1 LEU 111 0.750 -4.703 -11.687 881 HB3 LEU 111 HB2 LEU 111 1.738 -5.967 -12.428 882 HG LEU 111 HG LEU 111 -0.054 -3.995 -13.919 883 HD11 LEU 111 HD11 LEU 111 1.916 -2.926 -12.865 884 HD12 LEU 111 HD12 LEU 111 2.056 -2.948 -14.630 885 HD13 LEU 111 HD13 LEU 111 2.983 -4.106 -13.652 886 HD21 LEU 111 HD21 LEU 111 0.195 -6.112 -15.184 887 HD22 LEU 111 HD22 LEU 111 1.956 -6.040 -14.978 888 HD23 LEU 111 HD23 LEU 111 1.115 -4.815 -15.953 889 H LYS 112 H LYS 112 -0.527 -8.953 -11.956 890 HA LYS 112 HA LYS 112 -0.649 -8.643 -9.070 891 HB2 LYS 112 HB1 LYS 112 -1.411 -10.715 -8.843 892 HB3 LYS 112 HB2 LYS 112 -2.050 -10.254 -10.426 893 HG2 LYS 112 HG1 LYS 112 -0.230 -11.616 -11.487 894 HG3 LYS 112 HG2 LYS 112 0.299 -12.113 -9.859 895 HD2 LYS 112 HD1 LYS 112 -1.959 -13.040 -9.408 896 HD3 LYS 112 HD2 LYS 112 -2.482 -12.544 -11.041 897 HE2 LYS 112 HE1 LYS 112 -1.978 -14.834 -11.270 898 HE3 LYS 112 HE2 LYS 112 -0.554 -14.001 -11.916 899 HZ1 LYS 112 HZ1 LYS 112 0.405 -14.350 -9.562 900 HZ2 LYS 112 HZ2 LYS 112 0.175 -15.747 -10.412 901 HZ3 LYS 112 HZ3 LYS 112 -0.819 -15.247 -9.210 902 H VAL 113 H VAL 113 0.881 -8.786 -7.661 903 HA VAL 113 HA VAL 113 3.613 -9.773 -8.434 904 HB VAL 113 HB VAL 113 4.610 -8.158 -6.980 905 HG11 VAL 113 HG11 VAL 113 4.192 -7.493 -9.327 906 HG12 VAL 113 HG12 VAL 113 2.679 -6.704 -8.832 907 HG13 VAL 113 HG13 VAL 113 4.234 -6.106 -8.226 908 HG21 VAL 113 HG21 VAL 113 1.839 -7.035 -6.388 909 HG22 VAL 113 HG22 VAL 113 2.881 -7.896 -5.240 910 HG23 VAL 113 HG23 VAL 113 3.386 -6.333 -5.875 911 H VAL 114 H VAL 114 4.927 -10.371 -6.453 912 HA VAL 114 HA VAL 114 3.263 -11.619 -4.333 913 HB VAL 114 HB VAL 114 4.209 -13.329 -5.805 914 HG11 VAL 114 HG11 VAL 114 6.311 -12.199 -6.511 915 HG12 VAL 114 HG12 VAL 114 6.972 -12.433 -4.877 916 HG13 VAL 114 HG13 VAL 114 6.585 -13.833 -5.890 917 HG21 VAL 114 HG21 VAL 114 5.467 -13.368 -3.031 918 HG22 VAL 114 HG22 VAL 114 3.775 -13.767 -3.405 919 HG23 VAL 114 HG23 VAL 114 5.089 -14.764 -4.058 920 H LEU 115 H LEU 115 3.854 -11.270 -2.280 921 HA LEU 115 HA LEU 115 6.322 -9.728 -1.531 922 HB2 LEU 115 HB1 LEU 115 3.462 -9.186 -0.660 923 HB3 LEU 115 HB2 LEU 115 4.894 -8.330 -0.085 924 HG LEU 115 HG LEU 115 3.750 -8.247 -2.914 925 HD11 LEU 115 HD11 LEU 115 3.023 -5.989 -2.322 926 HD12 LEU 115 HD12 LEU 115 3.719 -6.163 -0.693 927 HD13 LEU 115 HD13 LEU 115 2.348 -7.164 -1.186 928 HD21 LEU 115 HD21 LEU 115 6.265 -7.797 -2.819 929 HD22 LEU 115 HD22 LEU 115 5.904 -6.419 -1.767 930 HD23 LEU 115 HD23 LEU 115 5.279 -6.455 -3.420 931 HA PRO 116 HA PRO 116 5.984 -13.048 1.567 932 HB2 PRO 116 HB1 PRO 116 7.972 -12.376 3.306 933 HB3 PRO 116 HB2 PRO 116 8.298 -13.020 1.669 934 HG2 PRO 116 HG1 PRO 116 8.230 -10.111 2.536 935 HG3 PRO 116 HG2 PRO 116 9.519 -10.951 1.601 936 HD2 PRO 116 HD1 PRO 116 7.592 -9.498 0.352 937 HD3 PRO 116 HD2 PRO 116 8.170 -11.044 -0.337 938 H VAL 117 H VAL 117 5.119 -13.394 3.646 939 HA VAL 117 HA VAL 117 3.862 -11.156 5.028 940 HB VAL 117 HB VAL 117 4.056 -14.095 5.828 941 HG11 VAL 117 HG11 VAL 117 2.092 -13.456 7.227 942 HG12 VAL 117 HG12 VAL 117 3.556 -12.587 7.708 943 HG13 VAL 117 HG13 VAL 117 2.335 -11.759 6.743 944 HG21 VAL 117 HG21 VAL 117 1.757 -12.599 4.490 945 HG22 VAL 117 HG22 VAL 117 2.760 -13.806 3.677 946 HG23 VAL 117 HG23 VAL 117 1.731 -14.291 5.026 947 H GLU 118 H GLU 118 4.850 -9.983 6.630 948 HA GLU 118 HA GLU 118 6.883 -11.112 8.396 949 HB2 GLU 118 HB1 GLU 118 7.644 -9.880 5.930 950 HB3 GLU 118 HB2 GLU 118 8.147 -8.791 7.219 951 HG2 GLU 118 HG1 GLU 118 8.784 -11.766 7.299 952 HG3 GLU 118 HG2 GLU 118 9.799 -10.607 6.401 953 H ALA 119 H ALA 119 7.760 -9.428 9.900 954 HA ALA 119 HA ALA 119 5.396 -7.884 10.897 955 HB1 ALA 119 HB1 ALA 119 6.203 -8.591 13.108 956 HB2 ALA 119 HB2 ALA 119 5.969 -9.990 12.037 957 HB3 ALA 119 HB3 ALA 119 7.605 -9.386 12.360 958 H ARG 120 H ARG 120 6.036 -5.925 9.898 959 HA ARG 120 HA ARG 120 7.312 -4.342 12.057 960 HB2 ARG 120 HB1 ARG 120 7.410 -3.618 9.104 961 HB3 ARG 120 HB2 ARG 120 7.436 -2.397 10.428 962 HG2 ARG 120 HG1 ARG 120 9.596 -2.488 9.809 963 HG3 ARG 120 HG2 ARG 120 9.574 -3.519 11.226 964 HD2 ARG 120 HD1 ARG 120 9.376 -4.644 8.401 965 HD3 ARG 120 HD2 ARG 120 10.944 -4.240 9.151 966 HE ARG 120 HE ARG 120 9.435 -5.859 10.932 967 HH11 ARG 120 HH12 ARG 120 10.969 -6.426 7.773 968 HH12 ARG 120 HH11 ARG 120 11.240 -8.106 8.266 969 HH21 ARG 120 HH22 ARG 120 9.818 -7.928 11.273 970 HH22 ARG 120 HH21 ARG 120 10.528 -8.909 10.006 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 16.964 -7.353 -3.638 2 H2 GLY 1 2H GLY 1 16.385 -6.257 -2.543 3 H3 GLY 1 3H GLY 1 16.898 -5.752 -4.018 4 HA2 GLY 1 HA3 GLY 1 14.560 -7.448 -3.475 5 HA3 GLY 1 HA2 GLY 1 14.530 -5.743 -3.981 6 H SER 2 H SER 2 13.141 -6.797 -5.724 7 HA SER 2 HA SER 2 14.836 -7.742 -8.031 8 HB2 SER 2 HB1 SER 2 11.854 -8.015 -7.526 9 HB3 SER 2 HB2 SER 2 12.637 -8.287 -9.108 10 HG SER 2 HG SER 2 12.455 -10.244 -8.010 11 H PHE 3 H PHE 3 15.468 -5.382 -7.511 12 HA PHE 3 HA PHE 3 15.452 -3.148 -7.711 13 HB2 PHE 3 HB1 PHE 3 13.311 -3.467 -9.809 14 HB3 PHE 3 HB2 PHE 3 14.223 -1.986 -9.458 15 HD1 PHE 3 HD1 PHE 3 16.762 -2.013 -9.779 16 HD2 PHE 3 HD2 PHE 3 14.177 -5.103 -11.301 17 HE1 PHE 3 HE1 PHE 3 18.571 -2.770 -11.306 18 HE2 PHE 3 HE2 PHE 3 15.983 -5.860 -12.831 19 HZ PHE 3 HZ PHE 3 18.185 -4.699 -12.828 20 H THR 4 H THR 4 12.144 -4.032 -8.003 21 HA THR 4 HA THR 4 10.855 -2.604 -5.936 22 HB THR 4 HB THR 4 9.269 -4.547 -5.860 23 HG1 THR 4 HG1 THR 4 10.990 -5.599 -7.858 24 HG21 THR 4 HG21 THR 4 8.454 -4.310 -8.150 25 HG22 THR 4 HG22 THR 4 10.012 -3.632 -8.671 26 HG23 THR 4 HG23 THR 4 8.994 -2.742 -7.523 27 H GLU 5 H GLU 5 10.523 -2.844 -3.840 28 HA GLU 5 HA GLU 5 11.207 -5.195 -2.284 29 HB2 GLU 5 HB1 GLU 5 12.576 -2.529 -1.699 30 HB3 GLU 5 HB2 GLU 5 12.402 -3.866 -0.516 31 HG2 GLU 5 HG1 GLU 5 13.466 -5.314 -2.391 32 HG3 GLU 5 HG2 GLU 5 14.053 -3.782 -3.038 33 H GLY 6 H GLY 6 10.253 -5.000 -0.033 34 HA2 GLY 6 HA3 GLY 6 8.709 -2.895 0.909 35 HA3 GLY 6 HA2 GLY 6 7.644 -3.804 -0.187 36 H TRP 7 H TRP 7 6.545 -3.924 2.081 37 HA TRP 7 HA TRP 7 6.824 -6.625 2.839 38 HB2 TRP 7 HB1 TRP 7 7.448 -6.542 5.108 39 HB3 TRP 7 HB2 TRP 7 8.678 -5.628 4.262 40 HD1 TRP 7 HD TRP 7 6.435 -5.533 7.120 41 HE1 TRP 7 HE1 TRP 7 6.449 -3.250 8.291 42 HE3 TRP 7 3HE TRP 7 8.707 -2.743 3.474 43 HZ2 TRP 7 HZ2 TRP 7 7.248 -0.557 7.701 44 HZ3 TRP 7 HZ3 TRP 7 9.041 -0.312 3.790 45 HH2 TRP 7 HH TRP 7 8.332 0.795 5.897 46 H VAL 8 H VAL 8 5.153 -7.452 4.177 47 HA VAL 8 HA VAL 8 2.830 -5.567 4.598 48 HB VAL 8 HB VAL 8 2.785 -8.518 3.919 49 HG11 VAL 8 HG11 VAL 8 0.493 -6.559 4.406 50 HG12 VAL 8 HG12 VAL 8 0.300 -8.188 3.726 51 HG13 VAL 8 HG13 VAL 8 0.878 -7.995 5.380 52 HG21 VAL 8 HG21 VAL 8 3.359 -7.219 1.965 53 HG22 VAL 8 HG22 VAL 8 1.681 -7.736 1.812 54 HG23 VAL 8 HG23 VAL 8 2.054 -6.068 2.288 55 H ARG 9 H ARG 9 1.777 -5.583 6.572 56 HA ARG 9 HA ARG 9 3.279 -6.889 8.754 57 HB2 ARG 9 HB1 ARG 9 2.778 -4.568 9.072 58 HB3 ARG 9 HB2 ARG 9 1.043 -4.845 8.867 59 HG2 ARG 9 HG1 ARG 9 0.843 -5.946 10.921 60 HG3 ARG 9 HG2 ARG 9 2.564 -6.438 10.942 61 HD2 ARG 9 HD1 ARG 9 2.283 -4.838 12.648 62 HD3 ARG 9 HD2 ARG 9 3.211 -4.106 11.323 63 HE ARG 9 HE ARG 9 0.421 -3.492 11.052 64 HH11 ARG 9 HH12 ARG 9 3.153 -2.783 13.172 65 HH12 ARG 9 HH11 ARG 9 2.534 -1.232 13.654 66 HH21 ARG 9 HH22 ARG 9 -0.312 -1.396 11.619 67 HH22 ARG 9 HH21 ARG 9 0.594 -0.449 12.765 68 H PHE 10 H PHE 10 2.796 -8.967 9.117 69 HA PHE 10 HA PHE 10 0.103 -10.047 9.301 70 HB2 PHE 10 HB1 PHE 10 1.770 -11.670 9.191 71 HB3 PHE 10 HB2 PHE 10 2.825 -10.813 10.329 72 HD1 PHE 10 HD1 PHE 10 -0.814 -11.754 10.872 73 HD2 PHE 10 HD2 PHE 10 3.315 -12.522 11.849 74 HE1 PHE 10 HE1 PHE 10 -1.526 -13.126 12.783 75 HE2 PHE 10 HE2 PHE 10 2.589 -13.961 13.722 76 HZ PHE 10 HZ PHE 10 0.162 -14.178 14.262 77 H SER 11 H SER 11 -1.391 -9.542 10.712 78 HA SER 11 HA SER 11 -0.807 -9.444 13.515 79 HB2 SER 11 HB1 SER 11 -2.048 -7.112 11.979 80 HB3 SER 11 HB2 SER 11 -2.411 -7.406 13.684 81 HG SER 11 HG SER 11 0.271 -7.375 12.820 82 HA PRO 12 HA PRO 12 -5.016 -11.187 12.965 83 HB2 PRO 12 HB1 PRO 12 -5.715 -11.734 15.477 84 HB3 PRO 12 HB2 PRO 12 -4.205 -12.450 14.826 85 HG2 PRO 12 HG1 PRO 12 -4.501 -10.040 16.623 86 HG3 PRO 12 HG2 PRO 12 -3.301 -11.378 16.727 87 HD2 PRO 12 HD1 PRO 12 -2.966 -8.853 15.437 88 HD3 PRO 12 HD2 PRO 12 -1.907 -10.263 15.266 89 H GLY 13 H GLY 13 -7.150 -10.701 14.624 90 HA2 GLY 13 HA3 GLY 13 -8.732 -9.171 15.397 91 HA3 GLY 13 HA2 GLY 13 -7.565 -7.857 15.126 92 HA PRO 14 HA PRO 14 -10.810 -7.440 11.917 93 HB2 PRO 14 HB1 PRO 14 -11.354 -4.799 12.135 94 HB3 PRO 14 HB2 PRO 14 -11.879 -5.969 13.383 95 HG2 PRO 14 HG1 PRO 14 -9.409 -4.205 13.413 96 HG3 PRO 14 HG2 PRO 14 -10.636 -4.411 14.715 97 HD2 PRO 14 HD1 PRO 14 -8.263 -5.805 14.657 98 HD3 PRO 14 HD2 PRO 14 -9.768 -6.508 15.313 99 H ASN 15 H ASN 15 -7.619 -5.890 12.075 100 HA ASN 15 HA ASN 15 -7.621 -5.698 9.193 101 HB2 ASN 15 HB1 ASN 15 -7.141 -3.384 9.026 102 HB3 ASN 15 HB2 ASN 15 -8.606 -3.521 9.986 103 HD21 ASN 15 HD21 ASN 15 -8.602 -2.665 12.073 104 HD22 ASN 15 HD22 ASN 15 -7.182 -1.870 12.764 105 H ALA 16 H ALA 16 -5.689 -5.088 8.241 106 HA ALA 16 HA ALA 16 -3.189 -5.040 9.791 107 HB1 ALA 16 HB1 ALA 16 -3.767 -6.992 7.502 108 HB2 ALA 16 HB2 ALA 16 -2.148 -6.633 8.098 109 HB3 ALA 16 HB3 ALA 16 -3.312 -7.394 9.183 110 H ALA 17 H ALA 17 -1.347 -4.630 7.986 111 HA ALA 17 HA ALA 17 -2.286 -2.525 6.116 112 HB1 ALA 17 HB1 ALA 17 -0.106 -2.156 8.202 113 HB2 ALA 17 HB2 ALA 17 -0.615 -0.957 6.990 114 HB3 ALA 17 HB3 ALA 17 -1.723 -1.442 8.289 115 H ALA 18 H ALA 18 -0.985 -2.244 4.299 116 HA ALA 18 HA ALA 18 1.476 -3.951 4.076 117 HB1 ALA 18 HB1 ALA 18 -0.591 -3.358 1.922 118 HB2 ALA 18 HB2 ALA 18 0.933 -4.206 1.670 119 HB3 ALA 18 HB3 ALA 18 -0.311 -4.928 2.714 120 H TYR 19 H TYR 19 3.229 -3.163 3.003 121 HA TYR 19 HA TYR 19 3.315 -0.280 2.267 122 HB2 TYR 19 HB1 TYR 19 5.477 -1.672 3.840 123 HB3 TYR 19 HB2 TYR 19 5.191 0.052 3.701 124 HD1 TYR 19 HD2 TYR 19 2.951 0.929 4.845 125 HD2 TYR 19 HD1 TYR 19 4.792 -2.854 5.678 126 HE1 TYR 19 HE2 TYR 19 1.770 0.838 7.058 127 HE2 TYR 19 HE1 TYR 19 3.741 -2.922 7.902 128 HH TYR 19 HH TYR 19 2.456 -1.782 9.408 129 H LEU 20 H LEU 20 5.010 0.203 0.687 130 HA LEU 20 HA LEU 20 6.926 -1.741 -0.074 131 HB2 LEU 20 HB1 LEU 20 6.263 -2.432 -2.265 132 HB3 LEU 20 HB2 LEU 20 5.088 -3.007 -1.098 133 HG LEU 20 HG LEU 20 4.626 -0.510 -2.770 134 HD11 LEU 20 HD11 LEU 20 5.109 -2.376 -4.301 135 HD12 LEU 20 HD12 LEU 20 3.402 -1.918 -4.370 136 HD13 LEU 20 HD13 LEU 20 3.890 -3.380 -3.484 137 HD21 LEU 20 HD21 LEU 20 3.037 -0.784 -0.888 138 HD22 LEU 20 HD22 LEU 20 2.684 -2.441 -1.416 139 HD23 LEU 20 HD23 LEU 20 2.242 -1.055 -2.435 140 H THR 21 H THR 21 8.367 -1.239 -1.626 141 HA THR 21 HA THR 21 8.574 1.578 -2.488 142 HB THR 21 HB THR 21 10.642 -0.592 -3.000 143 HG1 THR 21 HG1 THR 21 10.518 -0.681 -0.874 144 HG21 THR 21 HG21 THR 21 10.817 1.631 -4.124 145 HG22 THR 21 HG22 THR 21 12.127 1.369 -2.953 146 HG23 THR 21 HG23 THR 21 10.766 2.446 -2.542 147 H LEU 22 H LEU 22 7.087 1.750 -4.057 148 HA LEU 22 HA LEU 22 6.847 -0.280 -6.203 149 HB2 LEU 22 HB1 LEU 22 4.873 0.444 -4.952 150 HB3 LEU 22 HB2 LEU 22 5.143 2.124 -5.380 151 HG LEU 22 HG LEU 22 3.277 0.843 -6.511 152 HD11 LEU 22 HD11 LEU 22 3.468 1.983 -8.622 153 HD12 LEU 22 HD12 LEU 22 5.211 2.201 -8.419 154 HD13 LEU 22 HD13 LEU 22 4.077 3.017 -7.322 155 HD21 LEU 22 HD21 LEU 22 3.684 -0.592 -8.378 156 HD22 LEU 22 HD22 LEU 22 4.581 -1.237 -6.991 157 HD23 LEU 22 HD23 LEU 22 5.433 -0.365 -8.279 158 H GLU 23 H GLU 23 7.304 0.182 -8.375 159 HA GLU 23 HA GLU 23 8.543 2.824 -8.945 160 HB2 GLU 23 HB1 GLU 23 10.260 1.698 -10.239 161 HB3 GLU 23 HB2 GLU 23 10.305 1.179 -8.540 162 HG2 GLU 23 HG1 GLU 23 9.233 -0.927 -9.102 163 HG3 GLU 23 HG2 GLU 23 8.986 -0.422 -10.782 164 H ASN 24 H ASN 24 8.545 3.578 -10.993 165 HA ASN 24 HA ASN 24 6.968 2.104 -13.061 166 HB2 ASN 24 HB1 ASN 24 5.983 4.257 -12.317 167 HB3 ASN 24 HB2 ASN 24 7.470 5.094 -12.786 168 HD21 ASN 24 HD21 ASN 24 5.139 5.915 -13.931 169 HD22 ASN 24 HD22 ASN 24 5.153 5.434 -15.632 170 HA PRO 25 HA PRO 25 11.298 2.222 -14.625 171 HB2 PRO 25 HB1 PRO 25 11.349 -0.178 -15.901 172 HB3 PRO 25 HB2 PRO 25 11.470 -0.051 -14.120 173 HG2 PRO 25 HG1 PRO 25 8.986 -0.603 -15.773 174 HG3 PRO 25 HG2 PRO 25 9.591 -1.526 -14.350 175 HD2 PRO 25 HD1 PRO 25 7.667 0.408 -14.130 176 HD3 PRO 25 HD2 PRO 25 8.905 0.160 -12.864 177 H GLY 26 H GLY 26 8.213 2.350 -16.131 178 HA2 GLY 26 HA3 GLY 26 9.151 2.277 -18.902 179 HA3 GLY 26 HA2 GLY 26 7.491 2.530 -18.317 180 H ASP 27 H ASP 27 7.859 4.035 -20.195 181 HA ASP 27 HA ASP 27 9.118 6.630 -19.510 182 HB2 ASP 27 HB1 ASP 27 8.407 5.277 -22.135 183 HB3 ASP 27 HB2 ASP 27 9.188 6.869 -21.984 184 H LEU 28 H LEU 28 6.096 5.440 -19.297 185 HA LEU 28 HA LEU 28 4.828 8.069 -19.802 186 HB2 LEU 28 HB1 LEU 28 2.789 6.979 -20.480 187 HB3 LEU 28 HB2 LEU 28 4.156 6.499 -21.519 188 HG LEU 28 HG LEU 28 4.219 4.326 -20.116 189 HD11 LEU 28 HD11 LEU 28 1.916 3.696 -19.208 190 HD12 LEU 28 HD12 LEU 28 1.494 5.423 -19.272 191 HD13 LEU 28 HD13 LEU 28 2.797 4.845 -18.217 192 HD21 LEU 28 HD21 LEU 28 1.796 4.953 -21.861 193 HD22 LEU 28 HD22 LEU 28 2.433 3.330 -21.505 194 HD23 LEU 28 HD23 LEU 28 3.407 4.473 -22.441 195 HA PRO 29 HA PRO 29 3.939 7.893 -15.567 196 HB2 PRO 29 HB1 PRO 29 1.748 9.438 -15.172 197 HB3 PRO 29 HB2 PRO 29 3.252 10.086 -15.890 198 HG2 PRO 29 HG1 PRO 29 0.757 9.152 -17.322 199 HG3 PRO 29 HG2 PRO 29 1.700 10.657 -17.604 200 HD2 PRO 29 HD1 PRO 29 1.982 8.336 -19.098 201 HD3 PRO 29 HD2 PRO 29 3.314 9.487 -18.852 202 H LEU 30 H LEU 30 2.649 7.080 -13.783 203 HA LEU 30 HA LEU 30 0.625 4.999 -14.531 204 HB2 LEU 30 HB1 LEU 30 3.251 4.756 -13.381 205 HB3 LEU 30 HB2 LEU 30 2.037 4.201 -12.219 206 HG LEU 30 HG LEU 30 1.144 2.635 -13.854 207 HD11 LEU 30 HD11 LEU 30 2.360 2.144 -15.958 208 HD12 LEU 30 HD12 LEU 30 3.291 3.647 -15.738 209 HD13 LEU 30 HD13 LEU 30 1.527 3.699 -15.988 210 HD21 LEU 30 HD21 LEU 30 2.947 1.068 -13.878 211 HD22 LEU 30 HD22 LEU 30 3.118 2.032 -12.397 212 HD23 LEU 30 HD23 LEU 30 4.164 2.369 -13.786 213 H ARG 31 H ARG 31 -1.155 5.052 -13.404 214 HA ARG 31 HA ARG 31 -1.355 6.661 -10.876 215 HB2 ARG 31 HB1 ARG 31 -2.568 7.653 -12.818 216 HB3 ARG 31 HB2 ARG 31 -3.597 6.209 -12.865 217 HG2 ARG 31 HG1 ARG 31 -4.578 6.713 -10.767 218 HG3 ARG 31 HG2 ARG 31 -3.327 7.890 -10.341 219 HD2 ARG 31 HD1 ARG 31 -5.304 8.300 -12.608 220 HD3 ARG 31 HD2 ARG 31 -5.543 8.886 -10.936 221 HE ARG 31 HE ARG 31 -3.395 10.199 -11.261 222 HH11 ARG 31 HH12 ARG 31 -5.642 9.774 -13.964 223 HH12 ARG 31 HH11 ARG 31 -4.936 11.133 -14.807 224 HH21 ARG 31 HH22 ARG 31 -2.516 11.728 -12.393 225 HH22 ARG 31 HH21 ARG 31 -3.164 12.261 -13.918 226 H LEU 32 H LEU 32 -1.519 5.405 -9.176 227 HA LEU 32 HA LEU 32 -2.255 2.527 -9.404 228 HB2 LEU 32 HB1 LEU 32 -0.068 3.018 -8.520 229 HB3 LEU 32 HB2 LEU 32 -0.731 4.211 -7.384 230 HG LEU 32 HG LEU 32 -1.900 2.310 -6.190 231 HD11 LEU 32 HD11 LEU 32 -1.935 0.626 -8.005 232 HD12 LEU 32 HD12 LEU 32 -1.066 0.010 -6.599 233 HD13 LEU 32 HD13 LEU 32 -0.162 0.581 -8.019 234 HD21 LEU 32 HD21 LEU 32 0.241 3.254 -5.406 235 HD22 LEU 32 HD22 LEU 32 1.133 2.141 -6.468 236 HD23 LEU 32 HD23 LEU 32 0.178 1.508 -5.106 237 H VAL 33 H VAL 33 -4.350 2.142 -8.987 238 HA VAL 33 HA VAL 33 -5.908 4.199 -7.472 239 HB VAL 33 HB VAL 33 -7.896 3.403 -8.677 240 HG11 VAL 33 HG11 VAL 33 -7.346 4.327 -10.867 241 HG12 VAL 33 HG12 VAL 33 -6.511 5.248 -9.608 242 HG13 VAL 33 HG13 VAL 33 -5.615 4.076 -10.588 243 HG21 VAL 33 HG21 VAL 33 -7.785 1.880 -10.563 244 HG22 VAL 33 HG22 VAL 33 -6.046 1.648 -10.350 245 HG23 VAL 33 HG23 VAL 33 -7.188 1.031 -9.130 246 H GLY 34 H GLY 34 -4.774 0.976 -7.157 247 HA2 GLY 34 HA3 GLY 34 -5.709 0.742 -4.523 248 HA3 GLY 34 HA2 GLY 34 -6.808 -0.193 -5.562 249 H ALA 35 H ALA 35 -6.000 -2.003 -4.261 250 HA ALA 35 HA ALA 35 -4.183 -3.430 -5.921 251 HB1 ALA 35 HB1 ALA 35 -2.539 -2.586 -4.322 252 HB2 ALA 35 HB2 ALA 35 -3.465 -3.288 -2.969 253 HB3 ALA 35 HB3 ALA 35 -2.714 -4.324 -4.211 254 H ARG 36 H ARG 36 -4.102 -5.865 -4.764 255 HA ARG 36 HA ARG 36 -6.614 -6.668 -3.449 256 HB2 ARG 36 HB1 ARG 36 -7.653 -6.698 -5.490 257 HB3 ARG 36 HB2 ARG 36 -6.134 -6.841 -6.399 258 HG2 ARG 36 HG1 ARG 36 -6.024 -9.249 -5.654 259 HG3 ARG 36 HG2 ARG 36 -7.651 -9.087 -4.998 260 HD2 ARG 36 HD1 ARG 36 -6.954 -8.424 -7.888 261 HD3 ARG 36 HD2 ARG 36 -7.402 -10.065 -7.358 262 HE ARG 36 HE ARG 36 -9.389 -8.280 -6.446 263 HH11 ARG 36 HH12 ARG 36 -8.145 -9.519 -9.488 264 HH12 ARG 36 HH11 ARG 36 -9.679 -9.424 -10.312 265 HH21 ARG 36 HH22 ARG 36 -11.387 -8.198 -7.502 266 HH22 ARG 36 HH21 ARG 36 -11.515 -8.659 -9.176 267 H THR 37 H THR 37 -6.281 -8.652 -2.369 268 HA THR 37 HA THR 37 -3.739 -10.135 -2.854 269 HB THR 37 HB THR 37 -3.185 -8.300 -1.424 270 HG1 THR 37 HG1 THR 37 -2.167 -10.263 -1.211 271 HG21 THR 37 HG21 THR 37 -3.918 -8.170 0.899 272 HG22 THR 37 HG22 THR 37 -5.136 -9.427 0.619 273 HG23 THR 37 HG23 THR 37 -5.275 -7.851 -0.194 274 HA PRO 38 HA PRO 38 -6.681 -13.350 -1.760 275 HB2 PRO 38 HB1 PRO 38 -5.154 -15.504 -1.154 276 HB3 PRO 38 HB2 PRO 38 -5.224 -14.759 -2.789 277 HG2 PRO 38 HG1 PRO 38 -3.129 -14.278 -0.672 278 HG3 PRO 38 HG2 PRO 38 -2.880 -14.778 -2.385 279 HD2 PRO 38 HD1 PRO 38 -2.781 -12.157 -1.604 280 HD3 PRO 38 HD2 PRO 38 -3.465 -12.623 -3.178 281 H VAL 39 H VAL 39 -4.564 -12.072 0.524 282 HA VAL 39 HA VAL 39 -5.668 -13.532 2.821 283 HB VAL 39 HB VAL 39 -4.009 -12.562 4.166 284 HG11 VAL 39 HG11 VAL 39 -2.657 -12.875 1.454 285 HG12 VAL 39 HG12 VAL 39 -1.946 -13.127 3.058 286 HG13 VAL 39 HG13 VAL 39 -3.202 -14.232 2.472 287 HG21 VAL 39 HG21 VAL 39 -4.159 -10.173 3.555 288 HG22 VAL 39 HG22 VAL 39 -2.487 -10.733 3.471 289 HG23 VAL 39 HG23 VAL 39 -3.422 -10.526 1.982 290 H ALA 40 H ALA 40 -7.047 -10.900 1.259 291 HA ALA 40 HA ALA 40 -8.367 -10.023 3.769 292 HB1 ALA 40 HB1 ALA 40 -7.869 -7.674 3.341 293 HB2 ALA 40 HB2 ALA 40 -6.352 -8.589 3.476 294 HB3 ALA 40 HB3 ALA 40 -6.968 -8.112 1.874 295 H GLU 41 H GLU 41 -10.325 -9.030 3.567 296 HA GLU 41 HA GLU 41 -11.852 -9.619 1.150 297 HB2 GLU 41 HB1 GLU 41 -12.411 -9.824 3.747 298 HB3 GLU 41 HB2 GLU 41 -12.969 -8.161 3.570 299 HG2 GLU 41 HG1 GLU 41 -14.867 -9.585 3.268 300 HG3 GLU 41 HG2 GLU 41 -14.456 -8.960 1.667 301 H ARG 42 H ARG 42 -11.633 -6.635 3.147 302 HA ARG 42 HA ARG 42 -11.903 -4.938 0.722 303 HB2 ARG 42 HB1 ARG 42 -12.360 -4.565 3.635 304 HB3 ARG 42 HB2 ARG 42 -11.617 -3.192 2.771 305 HG2 ARG 42 HG1 ARG 42 -13.615 -3.524 1.088 306 HG3 ARG 42 HG2 ARG 42 -14.369 -4.384 2.448 307 HD2 ARG 42 HD1 ARG 42 -13.765 -2.381 3.911 308 HD3 ARG 42 HD2 ARG 42 -13.232 -1.563 2.416 309 HE ARG 42 HE ARG 42 -15.950 -2.445 2.179 310 HH11 ARG 42 HH12 ARG 42 -13.915 0.118 3.606 311 HH12 ARG 42 HH11 ARG 42 -15.246 1.204 3.796 312 HH21 ARG 42 HH22 ARG 42 -17.628 -0.916 2.359 313 HH22 ARG 42 HH21 ARG 42 -17.309 0.646 3.064 314 H VAL 43 H VAL 43 -10.403 -3.590 0.121 315 HA VAL 43 HA VAL 43 -7.803 -3.265 1.480 316 HB VAL 43 HB VAL 43 -7.290 -5.007 -0.054 317 HG11 VAL 43 HG11 VAL 43 -8.507 -3.429 -2.336 318 HG12 VAL 43 HG12 VAL 43 -7.782 -5.059 -2.380 319 HG13 VAL 43 HG13 VAL 43 -9.301 -4.809 -1.545 320 HG21 VAL 43 HG21 VAL 43 -5.612 -4.008 -1.479 321 HG22 VAL 43 HG22 VAL 43 -6.422 -2.432 -1.438 322 HG23 VAL 43 HG23 VAL 43 -5.673 -3.083 0.032 323 H GLU 44 H GLU 44 -7.342 -1.214 1.545 324 HA GLU 44 HA GLU 44 -8.658 0.805 -0.254 325 HB2 GLU 44 HB1 GLU 44 -8.480 0.820 2.789 326 HB3 GLU 44 HB2 GLU 44 -9.111 2.138 1.774 327 HG2 GLU 44 HG1 GLU 44 -10.978 0.714 1.064 328 HG3 GLU 44 HG2 GLU 44 -10.346 -0.642 2.018 329 H LEU 45 H LEU 45 -6.944 2.108 -1.157 330 HA LEU 45 HA LEU 45 -4.426 2.268 0.275 331 HB2 LEU 45 HB1 LEU 45 -4.731 2.189 -2.249 332 HB3 LEU 45 HB2 LEU 45 -5.296 3.857 -2.175 333 HG LEU 45 HG LEU 45 -2.662 3.063 -0.866 334 HD11 LEU 45 HD11 LEU 45 -2.556 2.162 -3.126 335 HD12 LEU 45 HD12 LEU 45 -1.506 3.582 -2.960 336 HD13 LEU 45 HD13 LEU 45 -3.087 3.706 -3.802 337 HD21 LEU 45 HD21 LEU 45 -3.497 5.433 -0.598 338 HD22 LEU 45 HD22 LEU 45 -3.475 5.583 -2.373 339 HD23 LEU 45 HD23 LEU 45 -1.967 5.330 -1.463 340 H HIS 46 H HIS 46 -3.954 3.573 1.768 341 HA HIS 46 HA HIS 46 -5.416 6.121 2.180 342 HB2 HIS 46 HB1 HIS 46 -4.172 4.144 4.097 343 HB3 HIS 46 HB2 HIS 46 -4.544 5.805 4.576 344 HD2 HIS 46 HD2 HIS 46 -7.100 3.507 2.610 345 HE1 HIS 46 HE1 HIS 46 -8.662 4.213 6.463 346 HE2 HIS 46 HE2 HIS 46 -9.065 3.033 4.247 347 H GLU 47 H GLU 47 -4.335 7.842 2.944 348 HA GLU 47 HA GLU 47 -1.382 7.979 2.502 349 HB2 GLU 47 HB1 GLU 47 -1.571 10.321 2.154 350 HB3 GLU 47 HB2 GLU 47 -2.652 9.502 1.014 351 HG2 GLU 47 HG1 GLU 47 -4.596 10.139 2.303 352 HG3 GLU 47 HG2 GLU 47 -3.593 10.741 3.646 353 H THR 48 H THR 48 -0.612 9.947 4.008 354 HA THR 48 HA THR 48 -1.872 9.796 6.706 355 HB THR 48 HB THR 48 1.122 9.892 6.228 356 HG1 THR 48 HG1 THR 48 -0.511 7.917 6.023 357 HG21 THR 48 HG21 THR 48 -0.620 9.564 8.722 358 HG22 THR 48 HG22 THR 48 0.389 10.964 8.326 359 HG23 THR 48 HG23 THR 48 1.157 9.407 8.693 360 H PHE 49 H PHE 49 -2.991 11.560 5.858 361 HA PHE 49 HA PHE 49 -1.762 13.865 4.735 362 HB2 PHE 49 HB1 PHE 49 -3.886 14.886 4.737 363 HB3 PHE 49 HB2 PHE 49 -4.115 13.192 4.331 364 HD1 PHE 49 HD2 PHE 49 -5.009 11.626 6.200 365 HD2 PHE 49 HD1 PHE 49 -5.107 15.916 6.476 366 HE1 PHE 49 HE2 PHE 49 -6.678 11.471 8.015 367 HE2 PHE 49 HE1 PHE 49 -6.796 15.768 8.267 368 HZ PHE 49 HZ PHE 49 -7.539 13.519 9.082 369 H MET 50 H MET 50 -1.587 15.927 5.504 370 HA MET 50 HA MET 50 -0.990 16.246 8.399 371 HB2 MET 50 HB1 MET 50 0.039 18.369 7.754 372 HB3 MET 50 HB2 MET 50 0.752 16.991 6.890 373 HG2 MET 50 HG1 MET 50 -0.508 17.567 4.877 374 HG3 MET 50 HG2 MET 50 -1.337 18.883 5.732 375 HE1 MET 50 HE1 MET 50 0.890 20.824 3.217 376 HE2 MET 50 HE2 MET 50 0.002 19.302 2.979 377 HE3 MET 50 HE3 MET 50 -0.741 20.632 3.902 378 H ARG 51 H ARG 51 -1.901 17.826 9.690 379 HA ARG 51 HA ARG 51 -3.882 19.681 8.677 380 HB2 ARG 51 HB1 ARG 51 -5.766 19.004 9.940 381 HB3 ARG 51 HB2 ARG 51 -5.234 17.591 9.019 382 HG2 ARG 51 HG1 ARG 51 -4.107 16.739 11.090 383 HG3 ARG 51 HG2 ARG 51 -4.767 18.116 11.995 384 HD2 ARG 51 HD1 ARG 51 -6.404 15.967 10.597 385 HD3 ARG 51 HD2 ARG 51 -6.069 16.067 12.344 386 HE ARG 51 HE ARG 51 -7.231 18.507 11.559 387 HH11 ARG 51 HH12 ARG 51 -8.238 15.154 12.060 388 HH12 ARG 51 HH11 ARG 51 -9.913 15.577 12.237 389 HH21 ARG 51 HH22 ARG 51 -9.426 18.978 11.744 390 HH22 ARG 51 HH21 ARG 51 -10.573 17.722 12.090 391 H GLU 52 H GLU 52 -4.470 21.293 10.178 392 HA GLU 52 HA GLU 52 -2.701 21.540 12.549 393 HB2 GLU 52 HB1 GLU 52 -3.237 23.361 10.548 394 HB3 GLU 52 HB2 GLU 52 -4.385 23.863 11.809 395 HG2 GLU 52 HG1 GLU 52 -2.300 25.049 12.082 396 HG3 GLU 52 HG2 GLU 52 -2.566 23.956 13.450 397 H VAL 53 H VAL 53 -3.535 21.829 14.567 398 HA VAL 53 HA VAL 53 -6.446 22.301 14.928 399 HB VAL 53 HB VAL 53 -4.908 20.173 16.508 400 HG11 VAL 53 HG11 VAL 53 -6.520 21.401 17.924 401 HG12 VAL 53 HG12 VAL 53 -7.801 21.133 16.721 402 HG13 VAL 53 HG13 VAL 53 -7.104 19.763 17.613 403 HG21 VAL 53 HG21 VAL 53 -5.551 19.225 14.341 404 HG22 VAL 53 HG22 VAL 53 -6.567 18.553 15.615 405 HG23 VAL 53 HG23 VAL 53 -7.216 19.815 14.548 406 H GLU 54 H GLU 54 -6.566 24.109 16.208 407 HA GLU 54 HA GLU 54 -5.988 25.819 17.610 408 HB2 GLU 54 HB1 GLU 54 -6.013 23.746 19.093 409 HB3 GLU 54 HB2 GLU 54 -4.250 23.804 19.055 410 HG2 GLU 54 HG1 GLU 54 -4.594 26.247 19.990 411 HG3 GLU 54 HG2 GLU 54 -6.215 25.659 20.408 412 H GLY 55 H GLY 55 -4.209 25.250 15.219 413 HA2 GLY 55 HA3 GLY 55 -2.389 26.282 14.227 414 HA3 GLY 55 HA2 GLY 55 -2.075 27.157 15.743 415 H LYS 56 H LYS 56 -2.264 23.925 16.527 416 HA LYS 56 HA LYS 56 0.631 23.378 16.294 417 HB2 LYS 56 HB1 LYS 56 -1.643 22.248 17.970 418 HB3 LYS 56 HB2 LYS 56 -0.015 21.554 17.927 419 HG2 LYS 56 HG1 LYS 56 0.773 23.089 19.372 420 HG3 LYS 56 HG2 LYS 56 0.081 24.441 18.450 421 HD2 LYS 56 HD1 LYS 56 -0.838 24.545 20.631 422 HD3 LYS 56 HD2 LYS 56 -2.123 23.993 19.553 423 HE2 LYS 56 HE1 LYS 56 -1.679 21.638 20.324 424 HE3 LYS 56 HE2 LYS 56 -0.416 22.274 21.407 425 HZ1 LYS 56 HZ1 LYS 56 -3.352 22.713 21.594 426 HZ2 LYS 56 HZ2 LYS 56 -2.391 23.724 22.280 427 HZ3 LYS 56 HZ3 LYS 56 -2.353 22.130 22.754 428 H LYS 57 H LYS 57 1.370 21.571 15.249 429 HA LYS 57 HA LYS 57 -0.341 20.753 12.998 430 HB2 LYS 57 HB1 LYS 57 2.028 19.850 12.258 431 HB3 LYS 57 HB2 LYS 57 1.485 21.501 11.978 432 HG2 LYS 57 HG1 LYS 57 3.225 20.696 14.327 433 HG3 LYS 57 HG2 LYS 57 3.895 21.113 12.728 434 HD2 LYS 57 HD1 LYS 57 2.336 22.964 14.557 435 HD3 LYS 57 HD2 LYS 57 4.093 22.983 14.284 436 HE2 LYS 57 HE1 LYS 57 3.899 23.990 12.212 437 HE3 LYS 57 HE2 LYS 57 2.277 23.281 11.912 438 HZ1 LYS 57 HZ1 LYS 57 2.714 25.455 13.863 439 HZ2 LYS 57 HZ2 LYS 57 1.308 24.751 13.378 440 HZ3 LYS 57 HZ3 LYS 57 2.127 25.631 12.309 441 H VAL 58 H VAL 58 -0.946 18.762 12.486 442 HA VAL 58 HA VAL 58 -0.124 16.411 14.136 443 HB VAL 58 HB VAL 58 -2.976 17.318 13.603 444 HG11 VAL 58 HG11 VAL 58 -1.939 14.896 15.131 445 HG12 VAL 58 HG12 VAL 58 -3.628 15.450 15.129 446 HG13 VAL 58 HG13 VAL 58 -2.898 14.885 13.631 447 HG21 VAL 58 HG21 VAL 58 -2.042 18.713 15.376 448 HG22 VAL 58 HG22 VAL 58 -3.184 17.568 16.069 449 HG23 VAL 58 HG23 VAL 58 -1.439 17.273 16.231 450 H MET 59 H MET 59 -0.250 14.447 12.992 451 HA MET 59 HA MET 59 -1.246 14.534 10.162 452 HB2 MET 59 HB1 MET 59 1.278 13.406 11.328 453 HB3 MET 59 HB2 MET 59 0.486 12.551 9.975 454 HG2 MET 59 HG1 MET 59 2.235 14.042 9.201 455 HG3 MET 59 HG2 MET 59 0.645 14.460 8.553 456 HE1 MET 59 HE1 MET 59 2.934 16.986 11.724 457 HE2 MET 59 HE2 MET 59 2.204 15.416 12.112 458 HE3 MET 59 HE3 MET 59 3.584 15.504 10.991 459 H GLY 60 H GLY 60 -2.425 12.753 9.448 460 HA2 GLY 60 HA3 GLY 60 -3.016 10.519 11.265 461 HA3 GLY 60 HA2 GLY 60 -4.375 11.615 10.927 462 H MET 61 H MET 61 -4.616 8.944 10.183 463 HA MET 61 HA MET 61 -3.920 8.768 7.308 464 HB2 MET 61 HB1 MET 61 -4.925 6.717 9.296 465 HB3 MET 61 HB2 MET 61 -4.664 6.401 7.552 466 HG2 MET 61 HG1 MET 61 -2.735 5.626 8.593 467 HG3 MET 61 HG2 MET 61 -2.290 7.158 7.848 468 HE1 MET 61 HE1 MET 61 0.119 6.970 10.865 469 HE2 MET 61 HE2 MET 61 -0.470 5.601 9.885 470 HE3 MET 61 HE3 MET 61 -0.069 7.146 9.106 471 H ARG 62 H ARG 62 -5.330 8.210 5.676 472 HA ARG 62 HA ARG 62 -8.172 7.928 6.042 473 HB2 ARG 62 HB1 ARG 62 -7.242 10.603 5.803 474 HB3 ARG 62 HB2 ARG 62 -7.901 10.196 4.206 475 HG2 ARG 62 HG1 ARG 62 -9.993 9.382 5.404 476 HG3 ARG 62 HG2 ARG 62 -9.334 10.081 6.895 477 HD2 ARG 62 HD1 ARG 62 -9.329 12.314 5.883 478 HD3 ARG 62 HD2 ARG 62 -9.815 11.626 4.317 479 HE ARG 62 HE ARG 62 -11.610 11.032 6.551 480 HH11 ARG 62 HH12 ARG 62 -11.060 13.271 3.873 481 HH12 ARG 62 HH11 ARG 62 -12.723 13.786 3.828 482 HH21 ARG 62 HH22 ARG 62 -13.729 11.743 6.466 483 HH22 ARG 62 HH21 ARG 62 -14.213 12.937 5.302 484 HA PRO 63 HA PRO 63 -7.317 6.062 2.050 485 HB2 PRO 63 HB1 PRO 63 -9.940 5.908 1.052 486 HB3 PRO 63 HB2 PRO 63 -9.005 4.640 1.871 487 HG2 PRO 63 HG1 PRO 63 -11.234 6.114 2.894 488 HG3 PRO 63 HG2 PRO 63 -10.288 4.834 3.726 489 HD2 PRO 63 HD1 PRO 63 -10.225 7.767 4.047 490 HD3 PRO 63 HD2 PRO 63 -9.546 6.523 5.105 491 H VAL 64 H VAL 64 -7.222 6.558 -0.119 492 HA VAL 64 HA VAL 64 -8.194 9.255 -1.001 493 HB VAL 64 HB VAL 64 -6.113 9.200 -2.548 494 HG11 VAL 64 HG11 VAL 64 -5.798 9.714 0.427 495 HG12 VAL 64 HG12 VAL 64 -4.751 10.358 -0.862 496 HG13 VAL 64 HG13 VAL 64 -6.453 10.843 -0.780 497 HG21 VAL 64 HG21 VAL 64 -4.976 7.414 -0.364 498 HG22 VAL 64 HG22 VAL 64 -5.365 6.893 -2.023 499 HG23 VAL 64 HG23 VAL 64 -4.111 8.119 -1.738 500 HA PRO 65 HA PRO 65 -9.870 7.051 -4.461 501 HB2 PRO 65 HB1 PRO 65 -9.760 8.839 -6.521 502 HB3 PRO 65 HB2 PRO 65 -10.850 9.046 -5.115 503 HG2 PRO 65 HG1 PRO 65 -8.103 10.271 -5.527 504 HG3 PRO 65 HG2 PRO 65 -9.628 11.112 -5.064 505 HD2 PRO 65 HD1 PRO 65 -7.812 10.342 -3.191 506 HD3 PRO 65 HD2 PRO 65 -9.565 10.187 -2.879 507 H PHE 66 H PHE 66 -6.536 8.190 -4.575 508 HA PHE 66 HA PHE 66 -5.536 5.924 -5.856 509 HB2 PHE 66 HB1 PHE 66 -4.730 6.856 -7.976 510 HB3 PHE 66 HB2 PHE 66 -6.477 6.631 -7.924 511 HD1 PHE 66 HD1 PHE 66 -3.749 9.180 -7.875 512 HD2 PHE 66 HD2 PHE 66 -7.984 8.461 -8.247 513 HE1 PHE 66 HE1 PHE 66 -4.064 11.481 -8.714 514 HE2 PHE 66 HE2 PHE 66 -8.299 10.778 -9.076 515 HZ PHE 66 HZ PHE 66 -6.334 12.294 -9.318 516 H LEU 67 H LEU 67 -3.292 6.096 -6.337 517 HA LEU 67 HA LEU 67 -1.835 8.556 -5.542 518 HB2 LEU 67 HB1 LEU 67 -1.276 5.678 -4.990 519 HB3 LEU 67 HB2 LEU 67 0.100 6.543 -5.706 520 HG LEU 67 HG LEU 67 -1.320 7.239 -3.109 521 HD11 LEU 67 HD11 LEU 67 0.937 6.585 -2.190 522 HD12 LEU 67 HD12 LEU 67 1.470 6.178 -3.828 523 HD13 LEU 67 HD13 LEU 67 0.173 5.239 -3.053 524 HD21 LEU 67 HD21 LEU 67 -0.537 9.355 -4.052 525 HD22 LEU 67 HD22 LEU 67 1.002 8.617 -4.561 526 HD23 LEU 67 HD23 LEU 67 0.641 8.855 -2.844 527 H GLU 68 H GLU 68 0.313 8.601 -6.938 528 HA GLU 68 HA GLU 68 0.225 7.179 -9.403 529 HB2 GLU 68 HB1 GLU 68 -0.112 8.815 -11.007 530 HB3 GLU 68 HB2 GLU 68 -1.464 8.971 -9.879 531 HG2 GLU 68 HG1 GLU 68 -0.270 10.945 -8.848 532 HG3 GLU 68 HG2 GLU 68 0.954 10.798 -10.131 533 H VAL 69 H VAL 69 1.916 7.861 -10.903 534 HA VAL 69 HA VAL 69 4.352 8.790 -9.510 535 HB VAL 69 HB VAL 69 4.330 6.112 -10.974 536 HG11 VAL 69 HG11 VAL 69 6.286 5.663 -9.517 537 HG12 VAL 69 HG12 VAL 69 6.525 7.113 -10.496 538 HG13 VAL 69 HG13 VAL 69 6.101 7.269 -8.785 539 HG21 VAL 69 HG21 VAL 69 4.188 4.889 -8.840 540 HG22 VAL 69 HG22 VAL 69 3.761 6.394 -8.000 541 HG23 VAL 69 HG23 VAL 69 2.677 5.702 -9.234 542 HA PRO 70 HA PRO 70 5.131 10.000 -13.822 543 HB2 PRO 70 HB1 PRO 70 7.613 11.087 -13.589 544 HB3 PRO 70 HB2 PRO 70 6.151 11.901 -12.959 545 HG2 PRO 70 HG1 PRO 70 8.120 10.166 -11.435 546 HG3 PRO 70 HG2 PRO 70 7.506 11.795 -10.978 547 HD2 PRO 70 HD1 PRO 70 6.422 9.476 -9.988 548 HD3 PRO 70 HD2 PRO 70 5.417 10.913 -10.331 549 HA PRO 71 HA PRO 71 7.630 6.609 -15.367 550 HB2 PRO 71 HB1 PRO 71 8.974 7.755 -17.496 551 HB3 PRO 71 HB2 PRO 71 7.283 7.168 -17.498 552 HG2 PRO 71 HG1 PRO 71 8.300 9.982 -17.238 553 HG3 PRO 71 HG2 PRO 71 6.834 9.385 -18.107 554 HD2 PRO 71 HD1 PRO 71 6.776 10.565 -15.614 555 HD3 PRO 71 HD2 PRO 71 5.581 9.366 -16.154 556 H LYS 72 H LYS 72 9.596 5.714 -15.102 557 HA LYS 72 HA LYS 72 11.612 5.308 -14.195 558 HB2 LYS 72 HB1 LYS 72 12.376 8.205 -14.550 559 HB3 LYS 72 HB2 LYS 72 13.444 6.790 -14.477 560 HG2 LYS 72 HG1 LYS 72 11.490 7.489 -16.700 561 HG3 LYS 72 HG2 LYS 72 13.253 7.647 -16.734 562 HD2 LYS 72 HD1 LYS 72 13.523 5.227 -16.727 563 HD3 LYS 72 HD2 LYS 72 11.778 4.992 -16.420 564 HE2 LYS 72 HE1 LYS 72 11.286 6.162 -18.562 565 HE3 LYS 72 HE2 LYS 72 13.004 6.194 -18.942 566 HZ1 LYS 72 HZ1 LYS 72 11.768 4.337 -19.932 567 HZ2 LYS 72 HZ2 LYS 72 11.403 3.743 -18.450 568 HZ3 LYS 72 HZ3 LYS 72 12.968 3.770 -18.946 569 H GLY 73 H GLY 73 9.397 7.073 -12.743 570 HA2 GLY 73 HA3 GLY 73 10.708 7.916 -10.292 571 HA3 GLY 73 HA2 GLY 73 8.962 7.907 -10.626 572 H ARG 74 H ARG 74 11.419 6.559 -8.989 573 HA ARG 74 HA ARG 74 9.855 4.164 -8.160 574 HB2 ARG 74 HB1 ARG 74 11.686 3.017 -7.912 575 HB3 ARG 74 HB2 ARG 74 12.509 4.301 -8.802 576 HG2 ARG 74 HG1 ARG 74 13.912 3.822 -7.015 577 HG3 ARG 74 HG2 ARG 74 13.103 5.286 -6.485 578 HD2 ARG 74 HD1 ARG 74 11.443 3.750 -5.257 579 HD3 ARG 74 HD2 ARG 74 12.508 2.394 -5.701 580 HE ARG 74 HE ARG 74 14.018 3.043 -4.082 581 HH11 ARG 74 HH12 ARG 74 11.745 5.786 -4.369 582 HH12 ARG 74 HH11 ARG 74 11.927 6.111 -2.637 583 HH21 ARG 74 HH22 ARG 74 14.097 3.642 -1.879 584 HH22 ARG 74 HH21 ARG 74 13.148 5.039 -1.376 585 H VAL 75 H VAL 75 8.523 4.379 -6.508 586 HA VAL 75 HA VAL 75 8.997 6.534 -4.476 587 HB VAL 75 HB VAL 75 6.563 6.824 -4.335 588 HG11 VAL 75 HG11 VAL 75 7.917 8.351 -5.683 589 HG12 VAL 75 HG12 VAL 75 7.715 7.318 -7.110 590 HG13 VAL 75 HG13 VAL 75 6.309 8.135 -6.394 591 HG21 VAL 75 HG21 VAL 75 5.049 5.968 -6.032 592 HG22 VAL 75 HG22 VAL 75 6.367 5.120 -6.863 593 HG23 VAL 75 HG23 VAL 75 5.846 4.601 -5.243 594 H GLU 76 H GLU 76 7.113 6.014 -2.644 595 HA GLU 76 HA GLU 76 7.522 3.274 -1.657 596 HB2 GLU 76 HB1 GLU 76 8.487 4.680 0.475 597 HB3 GLU 76 HB2 GLU 76 9.460 3.770 -0.718 598 HG2 GLU 76 HG1 GLU 76 9.862 5.795 -1.989 599 HG3 GLU 76 HG2 GLU 76 8.868 6.750 -0.887 600 H LEU 77 H LEU 77 5.558 2.783 -1.282 601 HA LEU 77 HA LEU 77 3.686 4.300 0.375 602 HB2 LEU 77 HB1 LEU 77 3.735 1.479 -0.737 603 HB3 LEU 77 HB2 LEU 77 2.532 2.048 0.461 604 HG LEU 77 HG LEU 77 2.040 3.917 -1.305 605 HD11 LEU 77 HD11 LEU 77 2.289 3.121 -3.651 606 HD12 LEU 77 HD12 LEU 77 3.252 1.740 -3.082 607 HD13 LEU 77 HD13 LEU 77 3.859 3.402 -2.903 608 HD21 LEU 77 HD21 LEU 77 1.177 1.013 -1.628 609 HD22 LEU 77 HD22 LEU 77 0.364 2.401 -2.373 610 HD23 LEU 77 HD23 LEU 77 0.412 2.254 -0.611 611 H LYS 78 H LYS 78 5.231 4.811 1.871 612 HA LYS 78 HA LYS 78 6.201 2.805 3.785 613 HB2 LYS 78 HB1 LYS 78 7.446 4.761 4.685 614 HB3 LYS 78 HB2 LYS 78 7.709 4.510 2.938 615 HG2 LYS 78 HG1 LYS 78 5.781 6.295 2.689 616 HG3 LYS 78 HG2 LYS 78 6.191 6.717 4.357 617 HD2 LYS 78 HD1 LYS 78 8.145 6.661 2.023 618 HD3 LYS 78 HD2 LYS 78 7.368 8.126 2.666 619 HE2 LYS 78 HE1 LYS 78 8.528 7.893 4.776 620 HE3 LYS 78 HE2 LYS 78 9.106 6.264 4.336 621 HZ1 LYS 78 HZ1 LYS 78 10.405 7.237 2.590 622 HZ2 LYS 78 HZ2 LYS 78 10.825 7.944 4.007 623 HZ3 LYS 78 HZ3 LYS 78 9.871 8.730 2.900 624 HA PRO 79 HA PRO 79 2.964 2.884 6.616 625 HB2 PRO 79 HB1 PRO 79 4.218 3.231 9.120 626 HB3 PRO 79 HB2 PRO 79 3.993 1.698 8.233 627 HG2 PRO 79 HG1 PRO 79 6.400 3.508 8.259 628 HG3 PRO 79 HG2 PRO 79 6.349 1.709 8.315 629 HD2 PRO 79 HD1 PRO 79 6.911 2.983 6.006 630 HD3 PRO 79 HD2 PRO 79 5.793 1.586 5.995 631 H GLY 80 H GLY 80 5.096 5.461 8.105 632 HA2 GLY 80 HA3 GLY 80 2.781 7.301 8.171 633 HA3 GLY 80 HA2 GLY 80 4.443 7.654 8.694 634 H GLY 81 H GLY 81 2.181 7.680 6.069 635 HA2 GLY 81 HA3 GLY 81 3.291 9.394 4.242 636 HA3 GLY 81 HA2 GLY 81 4.120 7.857 3.905 637 H TYR 82 H TYR 82 2.894 6.060 3.180 638 HA TYR 82 HA TYR 82 0.083 6.347 2.325 639 HB2 TYR 82 HB1 TYR 82 2.267 5.899 0.286 640 HB3 TYR 82 HB2 TYR 82 0.520 5.882 0.004 641 HD1 TYR 82 HD2 TYR 82 -0.772 8.008 0.011 642 HD2 TYR 82 HD1 TYR 82 3.513 7.946 0.472 643 HE1 TYR 82 HE2 TYR 82 -0.691 10.449 -0.478 644 HE2 TYR 82 HE1 TYR 82 3.607 10.376 0.031 645 HH TYR 82 HH TYR 82 2.386 12.281 -0.468 646 H HIS 83 H HIS 83 -0.922 4.291 2.130 647 HA HIS 83 HA HIS 83 0.593 1.807 1.975 648 HB2 HIS 83 HB1 HIS 83 0.055 1.091 4.306 649 HB3 HIS 83 HB2 HIS 83 1.314 2.328 4.194 650 HD1 HIS 83 HD1 HIS 83 0.784 4.685 5.332 651 HD2 HIS 83 HD2 HIS 83 -2.216 1.749 5.584 652 HE1 HIS 83 HE1 HIS 83 -0.921 5.554 6.982 653 H PHE 84 H PHE 84 -0.920 -0.101 2.588 654 HA PHE 84 HA PHE 84 -3.711 0.628 1.782 655 HB2 PHE 84 HB1 PHE 84 -2.304 -2.047 1.674 656 HB3 PHE 84 HB2 PHE 84 -4.008 -1.754 1.278 657 HD1 PHE 84 HD1 PHE 84 -4.547 -0.162 -0.664 658 HD2 PHE 84 HD2 PHE 84 -0.601 -1.752 0.038 659 HE1 PHE 84 HE1 PHE 84 -3.959 0.216 -3.042 660 HE2 PHE 84 HE2 PHE 84 -0.008 -1.317 -2.333 661 HZ PHE 84 HZ PHE 84 -1.685 -0.308 -3.869 662 H MET 85 H MET 85 -5.313 0.321 3.184 663 HA MET 85 HA MET 85 -4.783 -1.150 5.733 664 HB2 MET 85 HB1 MET 85 -7.095 0.598 4.854 665 HB3 MET 85 HB2 MET 85 -7.073 -0.339 6.363 666 HG2 MET 85 HG1 MET 85 -4.807 1.539 5.830 667 HG3 MET 85 HG2 MET 85 -6.402 2.206 6.285 668 HE1 MET 85 HE1 MET 85 -3.388 0.071 7.295 669 HE2 MET 85 HE2 MET 85 -3.614 -0.193 9.044 670 HE3 MET 85 HE3 MET 85 -4.576 -1.130 7.895 671 H LEU 86 H LEU 86 -5.366 -3.186 5.867 672 HA LEU 86 HA LEU 86 -7.109 -4.419 3.764 673 HB2 LEU 86 HB1 LEU 86 -4.876 -5.513 5.518 674 HB3 LEU 86 HB2 LEU 86 -5.983 -6.538 4.568 675 HG LEU 86 HG LEU 86 -3.966 -6.443 3.385 676 HD11 LEU 86 HD11 LEU 86 -5.699 -4.361 1.995 677 HD12 LEU 86 HD12 LEU 86 -6.014 -6.100 1.966 678 HD13 LEU 86 HD13 LEU 86 -4.527 -5.461 1.244 679 HD21 LEU 86 HD21 LEU 86 -3.966 -3.407 3.375 680 HD22 LEU 86 HD22 LEU 86 -2.731 -4.496 2.737 681 HD23 LEU 86 HD23 LEU 86 -2.996 -4.406 4.490 682 H LEU 87 H LEU 87 -9.080 -4.753 4.447 683 HA LEU 87 HA LEU 87 -9.680 -4.883 7.387 684 HB2 LEU 87 HB1 LEU 87 -10.943 -3.525 5.016 685 HB3 LEU 87 HB2 LEU 87 -11.999 -4.040 6.338 686 HG LEU 87 HG LEU 87 -11.408 -1.658 6.395 687 HD11 LEU 87 HD11 LEU 87 -10.772 -1.553 8.796 688 HD12 LEU 87 HD12 LEU 87 -10.415 -3.290 8.759 689 HD13 LEU 87 HD13 LEU 87 -12.067 -2.721 8.465 690 HD21 LEU 87 HD21 LEU 87 -9.084 -1.825 5.518 691 HD22 LEU 87 HD22 LEU 87 -8.569 -2.497 7.088 692 HD23 LEU 87 HD23 LEU 87 -9.231 -0.854 6.995 693 H GLY 88 H GLY 88 -10.600 -6.664 8.104 694 HA2 GLY 88 HA3 GLY 88 -11.713 -8.717 8.158 695 HA3 GLY 88 HA2 GLY 88 -12.294 -8.440 6.501 696 H LEU 89 H LEU 89 -9.794 -9.871 8.492 697 HA LEU 89 HA LEU 89 -8.049 -10.483 6.181 698 HB2 LEU 89 HB1 LEU 89 -7.689 -11.051 9.136 699 HB3 LEU 89 HB2 LEU 89 -6.469 -11.268 7.863 700 HG LEU 89 HG LEU 89 -7.651 -8.641 8.862 701 HD11 LEU 89 HD11 LEU 89 -5.401 -8.218 9.669 702 HD12 LEU 89 HD12 LEU 89 -4.815 -9.743 8.970 703 HD13 LEU 89 HD13 LEU 89 -5.969 -9.761 10.321 704 HD21 LEU 89 HD21 LEU 89 -5.629 -9.083 6.616 705 HD22 LEU 89 HD22 LEU 89 -6.037 -7.515 7.350 706 HD23 LEU 89 HD23 LEU 89 -7.262 -8.396 6.445 707 H LYS 90 H LYS 90 -8.074 -12.314 5.110 708 HA LYS 90 HA LYS 90 -10.163 -14.212 5.653 709 HB2 LYS 90 HB1 LYS 90 -7.933 -14.143 3.582 710 HB3 LYS 90 HB2 LYS 90 -9.273 -15.322 3.578 711 HG2 LYS 90 HG1 LYS 90 -10.906 -13.478 3.398 712 HG3 LYS 90 HG2 LYS 90 -9.577 -12.291 3.384 713 HD2 LYS 90 HD1 LYS 90 -8.735 -13.116 1.312 714 HD3 LYS 90 HD2 LYS 90 -9.825 -14.500 1.302 715 HE2 LYS 90 HE1 LYS 90 -10.718 -11.590 1.164 716 HE3 LYS 90 HE2 LYS 90 -10.438 -12.603 -0.261 717 HZ1 LYS 90 HZ1 LYS 90 -12.255 -14.066 0.603 718 HZ2 LYS 90 HZ2 LYS 90 -12.785 -12.504 0.407 719 HZ3 LYS 90 HZ3 LYS 90 -12.483 -12.986 1.851 720 H ARG 91 H ARG 91 -6.829 -14.272 6.612 721 HA ARG 91 HA ARG 91 -7.448 -16.514 8.360 722 HB2 ARG 91 HB1 ARG 91 -4.947 -16.540 6.611 723 HB3 ARG 91 HB2 ARG 91 -5.294 -17.669 7.940 724 HG2 ARG 91 HG1 ARG 91 -7.277 -18.493 6.648 725 HG3 ARG 91 HG2 ARG 91 -6.747 -17.451 5.289 726 HD2 ARG 91 HD1 ARG 91 -5.834 -19.519 4.744 727 HD3 ARG 91 HD2 ARG 91 -4.493 -18.617 5.476 728 HE ARG 91 HE ARG 91 -4.413 -20.199 7.167 729 HH11 ARG 91 HH12 ARG 91 -7.559 -20.548 5.608 730 HH12 ARG 91 HH11 ARG 91 -7.904 -22.067 6.377 731 HH21 ARG 91 HH22 ARG 91 -4.934 -22.199 8.168 732 HH22 ARG 91 HH21 ARG 91 -6.446 -22.976 7.810 733 HA PRO 92 HA PRO 92 -4.152 -14.119 10.628 734 HB2 PRO 92 HB1 PRO 92 -3.113 -16.083 12.216 735 HB3 PRO 92 HB2 PRO 92 -4.633 -15.230 12.624 736 HG2 PRO 92 HG1 PRO 92 -4.313 -17.916 11.262 737 HG3 PRO 92 HG2 PRO 92 -5.408 -17.486 12.623 738 HD2 PRO 92 HD1 PRO 92 -6.245 -17.573 10.001 739 HD3 PRO 92 HD2 PRO 92 -6.907 -16.394 11.175 740 H LEU 93 H LEU 93 -2.096 -13.924 9.944 741 HA LEU 93 HA LEU 93 -1.097 -15.531 7.699 742 HB2 LEU 93 HB1 LEU 93 -0.507 -12.915 9.049 743 HB3 LEU 93 HB2 LEU 93 0.784 -13.651 8.085 744 HG LEU 93 HG LEU 93 -0.622 -13.591 6.082 745 HD11 LEU 93 HD11 LEU 93 -2.771 -12.388 7.881 746 HD12 LEU 93 HD12 LEU 93 -2.871 -13.895 6.938 747 HD13 LEU 93 HD13 LEU 93 -2.796 -12.337 6.108 748 HD21 LEU 93 HD21 LEU 93 0.732 -11.574 6.836 749 HD22 LEU 93 HD22 LEU 93 -0.775 -10.887 7.471 750 HD23 LEU 93 HD23 LEU 93 -0.609 -11.213 5.736 751 H LYS 94 H LYS 94 1.013 -16.474 7.668 752 HA LYS 94 HA LYS 94 1.643 -17.795 10.269 753 HB2 LYS 94 HB1 LYS 94 2.789 -19.473 9.064 754 HB3 LYS 94 HB2 LYS 94 1.190 -19.274 8.368 755 HG2 LYS 94 HG1 LYS 94 3.390 -17.755 7.036 756 HG3 LYS 94 HG2 LYS 94 3.531 -19.538 6.982 757 HD2 LYS 94 HD1 LYS 94 1.249 -19.651 5.983 758 HD3 LYS 94 HD2 LYS 94 1.206 -17.881 5.945 759 HE2 LYS 94 HE1 LYS 94 3.515 -18.156 4.677 760 HE3 LYS 94 HE2 LYS 94 2.975 -19.805 4.372 761 HZ1 LYS 94 HZ1 LYS 94 1.054 -18.861 3.199 762 HZ2 LYS 94 HZ2 LYS 94 2.423 -18.243 2.579 763 HZ3 LYS 94 HZ3 LYS 94 1.490 -17.338 3.592 764 H ALA 95 H ALA 95 2.595 -15.089 8.915 765 HA ALA 95 HA ALA 95 4.282 -13.598 9.178 766 HB1 ALA 95 HB1 ALA 95 4.573 -14.543 11.501 767 HB2 ALA 95 HB2 ALA 95 5.835 -15.607 10.849 768 HB3 ALA 95 HB3 ALA 95 6.047 -13.852 10.790 769 H GLY 96 H GLY 96 6.606 -13.169 8.406 770 HA2 GLY 96 HA3 GLY 96 8.296 -13.379 6.905 771 HA3 GLY 96 HA2 GLY 96 8.129 -15.140 7.081 772 H GLU 97 H GLU 97 5.272 -14.515 5.993 773 HA GLU 97 HA GLU 97 5.833 -15.977 3.753 774 HB2 GLU 97 HB1 GLU 97 3.470 -16.248 3.568 775 HB3 GLU 97 HB2 GLU 97 3.973 -16.291 5.266 776 HG2 GLU 97 HG1 GLU 97 3.104 -14.012 5.582 777 HG3 GLU 97 HG2 GLU 97 2.612 -13.942 3.885 778 H GLU 98 H GLU 98 4.682 -16.011 1.841 779 HA GLU 98 HA GLU 98 5.584 -14.003 0.017 780 HB2 GLU 98 HB1 GLU 98 5.239 -15.715 -1.604 781 HB3 GLU 98 HB2 GLU 98 6.072 -16.381 -0.198 782 HG2 GLU 98 HG1 GLU 98 3.245 -16.929 -1.127 783 HG3 GLU 98 HG2 GLU 98 4.642 -18.033 -1.143 784 H VAL 99 H VAL 99 3.943 -12.303 0.730 785 HA VAL 99 HA VAL 99 1.145 -12.836 0.091 786 HB VAL 99 HB VAL 99 2.518 -10.246 0.851 787 HG11 VAL 99 HG11 VAL 99 0.710 -9.555 -0.703 788 HG12 VAL 99 HG12 VAL 99 -0.398 -10.697 0.075 789 HG13 VAL 99 HG13 VAL 99 0.181 -9.271 0.953 790 HG21 VAL 99 HG21 VAL 99 0.319 -11.938 2.148 791 HG22 VAL 99 HG22 VAL 99 2.033 -12.019 2.578 792 HG23 VAL 99 HG23 VAL 99 1.118 -10.516 2.847 793 H GLU 100 H GLU 100 0.730 -13.376 -1.842 794 HA GLU 100 HA GLU 100 1.265 -12.067 -4.324 795 HB2 GLU 100 HB1 GLU 100 -0.991 -13.696 -3.152 796 HB3 GLU 100 HB2 GLU 100 -1.206 -12.953 -4.744 797 HG2 GLU 100 HG1 GLU 100 1.274 -14.589 -4.232 798 HG3 GLU 100 HG2 GLU 100 -0.285 -15.419 -4.486 799 H LEU 101 H LEU 101 0.728 -10.132 -5.052 800 HA LEU 101 HA LEU 101 -1.678 -8.728 -4.096 801 HB2 LEU 101 HB1 LEU 101 1.045 -8.173 -3.259 802 HB3 LEU 101 HB2 LEU 101 0.340 -6.756 -4.054 803 HG LEU 101 HG LEU 101 -1.094 -8.226 -1.850 804 HD11 LEU 101 HD11 LEU 101 1.069 -7.382 -1.027 805 HD12 LEU 101 HD12 LEU 101 -0.318 -6.512 -0.336 806 HD13 LEU 101 HD13 LEU 101 0.656 -5.763 -1.642 807 HD21 LEU 101 HD21 LEU 101 -2.392 -6.608 -3.380 808 HD22 LEU 101 HD22 LEU 101 -1.306 -5.336 -2.821 809 HD23 LEU 101 HD23 LEU 101 -2.383 -6.143 -1.669 810 H ASP 102 H ASP 102 -2.758 -8.317 -5.762 811 HA ASP 102 HA ASP 102 -1.806 -7.622 -8.472 812 HB2 ASP 102 HB1 ASP 102 -4.391 -8.127 -7.023 813 HB3 ASP 102 HB2 ASP 102 -4.453 -7.154 -8.502 814 H LEU 103 H LEU 103 -0.694 -5.608 -8.191 815 HA LEU 103 HA LEU 103 -1.966 -3.331 -6.877 816 HB2 LEU 103 HB1 LEU 103 0.347 -3.392 -8.837 817 HB3 LEU 103 HB2 LEU 103 -0.063 -2.072 -7.732 818 HG LEU 103 HG LEU 103 0.978 -4.843 -6.980 819 HD11 LEU 103 HD11 LEU 103 2.644 -3.330 -8.003 820 HD12 LEU 103 HD12 LEU 103 2.994 -3.608 -6.290 821 HD13 LEU 103 HD13 LEU 103 2.245 -2.080 -6.800 822 HD21 LEU 103 HD21 LEU 103 -0.513 -4.092 -5.195 823 HD22 LEU 103 HD22 LEU 103 0.262 -2.488 -5.171 824 HD23 LEU 103 HD23 LEU 103 1.162 -3.937 -4.661 825 H LEU 104 H LEU 104 -3.556 -2.064 -7.710 826 HA LEU 104 HA LEU 104 -4.424 -2.601 -10.484 827 HB2 LEU 104 HB1 LEU 104 -5.836 -0.952 -8.374 828 HB3 LEU 104 HB2 LEU 104 -6.530 -1.645 -9.848 829 HG LEU 104 HG LEU 104 -5.638 -3.095 -7.364 830 HD11 LEU 104 HD11 LEU 104 -7.753 -1.887 -7.128 831 HD12 LEU 104 HD12 LEU 104 -8.013 -3.638 -7.086 832 HD13 LEU 104 HD13 LEU 104 -8.402 -2.720 -8.560 833 HD21 LEU 104 HD21 LEU 104 -6.582 -5.166 -8.396 834 HD22 LEU 104 HD22 LEU 104 -5.177 -4.563 -9.275 835 HD23 LEU 104 HD23 LEU 104 -6.807 -4.279 -9.923 836 H PHE 105 H PHE 105 -4.217 -1.222 -12.137 837 HA PHE 105 HA PHE 105 -3.440 1.623 -11.526 838 HB2 PHE 105 HB1 PHE 105 -2.355 -0.377 -13.496 839 HB3 PHE 105 HB2 PHE 105 -2.120 1.351 -13.741 840 HD1 PHE 105 HD1 PHE 105 -0.767 2.663 -12.111 841 HD2 PHE 105 HD2 PHE 105 -1.006 -1.627 -12.034 842 HE1 PHE 105 HE1 PHE 105 1.373 2.579 -10.874 843 HE2 PHE 105 HE2 PHE 105 1.078 -1.718 -10.669 844 HZ PHE 105 HZ PHE 105 2.283 0.391 -10.107 845 H ALA 106 H ALA 106 -4.349 3.149 -12.508 846 HA ALA 106 HA ALA 106 -6.117 4.273 -13.582 847 HB1 ALA 106 HB1 ALA 106 -4.220 3.308 -15.766 848 HB2 ALA 106 HB2 ALA 106 -5.260 4.749 -15.853 849 HB3 ALA 106 HB3 ALA 106 -3.944 4.671 -14.667 850 H GLY 107 H GLY 107 -7.472 2.089 -12.968 851 HA2 GLY 107 HA3 GLY 107 -9.376 0.916 -13.530 852 HA3 GLY 107 HA2 GLY 107 -9.295 1.573 -15.180 853 H GLY 108 H GLY 108 -8.190 0.501 -16.736 854 HA2 GLY 108 HA3 GLY 108 -8.364 -2.337 -16.441 855 HA3 GLY 108 HA2 GLY 108 -8.059 -1.436 -17.943 856 H LYS 109 H LYS 109 -5.679 -1.177 -15.256 857 HA LYS 109 HA LYS 109 -3.966 -3.248 -16.542 858 HB2 LYS 109 HB1 LYS 109 -3.355 -0.515 -15.408 859 HB3 LYS 109 HB2 LYS 109 -2.167 -1.824 -15.321 860 HG2 LYS 109 HG1 LYS 109 -1.586 -0.332 -17.072 861 HG3 LYS 109 HG2 LYS 109 -2.060 -1.885 -17.767 862 HD2 LYS 109 HD1 LYS 109 -2.918 0.029 -19.073 863 HD3 LYS 109 HD2 LYS 109 -4.236 -0.941 -18.403 864 HE2 LYS 109 HE1 LYS 109 -3.965 0.876 -16.405 865 HE3 LYS 109 HE2 LYS 109 -3.308 1.856 -17.716 866 HZ1 LYS 109 HZ1 LYS 109 -5.950 0.500 -17.681 867 HZ2 LYS 109 HZ2 LYS 109 -5.435 1.497 -18.890 868 HZ3 LYS 109 HZ3 LYS 109 -5.755 2.079 -17.370 869 H VAL 110 H VAL 110 -2.925 -4.598 -15.010 870 HA VAL 110 HA VAL 110 -2.874 -3.855 -12.222 871 HB VAL 110 HB VAL 110 -4.922 -5.038 -12.281 872 HG11 VAL 110 HG11 VAL 110 -3.561 -7.348 -13.700 873 HG12 VAL 110 HG12 VAL 110 -5.220 -7.342 -13.065 874 HG13 VAL 110 HG13 VAL 110 -4.785 -6.243 -14.374 875 HG21 VAL 110 HG21 VAL 110 -2.853 -7.014 -11.226 876 HG22 VAL 110 HG22 VAL 110 -3.407 -5.566 -10.362 877 HG23 VAL 110 HG23 VAL 110 -4.552 -6.868 -10.740 878 H LEU 111 H LEU 111 -1.057 -4.640 -11.198 879 HA LEU 111 HA LEU 111 0.768 -6.485 -12.709 880 HB2 LEU 111 HB1 LEU 111 1.462 -4.021 -11.075 881 HB3 LEU 111 HB2 LEU 111 2.649 -5.191 -11.671 882 HG LEU 111 HG LEU 111 0.895 -3.352 -13.357 883 HD11 LEU 111 HD11 LEU 111 3.916 -3.397 -12.901 884 HD12 LEU 111 HD12 LEU 111 2.790 -2.238 -12.174 885 HD13 LEU 111 HD13 LEU 111 3.020 -2.256 -13.928 886 HD21 LEU 111 HD21 LEU 111 1.277 -5.442 -14.611 887 HD22 LEU 111 HD22 LEU 111 3.013 -5.376 -14.237 888 HD23 LEU 111 HD23 LEU 111 2.268 -4.151 -15.286 889 H LYS 112 H LYS 112 0.729 -8.356 -11.656 890 HA LYS 112 HA LYS 112 0.155 -8.421 -8.799 891 HB2 LYS 112 HB1 LYS 112 -0.811 -9.966 -10.569 892 HB3 LYS 112 HB2 LYS 112 0.749 -10.799 -10.557 893 HG2 LYS 112 HG1 LYS 112 0.499 -11.293 -8.165 894 HG3 LYS 112 HG2 LYS 112 -0.963 -10.277 -8.066 895 HD2 LYS 112 HD1 LYS 112 -1.543 -12.656 -8.106 896 HD3 LYS 112 HD2 LYS 112 -2.170 -11.807 -9.538 897 HE2 LYS 112 HE1 LYS 112 -1.285 -13.927 -10.260 898 HE3 LYS 112 HE2 LYS 112 -0.187 -12.657 -10.826 899 HZ1 LYS 112 HZ1 LYS 112 0.155 -14.429 -8.473 900 HZ2 LYS 112 HZ2 LYS 112 1.089 -13.196 -8.660 901 HZ3 LYS 112 HZ3 LYS 112 1.126 -14.409 -9.805 902 H VAL 113 H VAL 113 1.700 -8.051 -7.385 903 HA VAL 113 HA VAL 113 4.512 -8.994 -7.871 904 HB VAL 113 HB VAL 113 5.295 -7.371 -6.311 905 HG11 VAL 113 HG11 VAL 113 4.910 -5.320 -7.558 906 HG12 VAL 113 HG12 VAL 113 5.017 -6.689 -8.679 907 HG13 VAL 113 HG13 VAL 113 3.435 -5.982 -8.286 908 HG21 VAL 113 HG21 VAL 113 2.435 -6.389 -5.930 909 HG22 VAL 113 HG22 VAL 113 3.424 -7.217 -4.711 910 HG23 VAL 113 HG23 VAL 113 3.901 -5.622 -5.289 911 H VAL 114 H VAL 114 5.670 -9.766 -6.036 912 HA VAL 114 HA VAL 114 4.033 -10.916 -3.846 913 HB VAL 114 HB VAL 114 5.266 -12.642 -5.045 914 HG11 VAL 114 HG11 VAL 114 7.848 -11.322 -4.112 915 HG12 VAL 114 HG12 VAL 114 7.675 -12.849 -4.990 916 HG13 VAL 114 HG13 VAL 114 7.246 -11.329 -5.785 917 HG21 VAL 114 HG21 VAL 114 6.367 -12.214 -2.232 918 HG22 VAL 114 HG22 VAL 114 4.766 -12.877 -2.623 919 HG23 VAL 114 HG23 VAL 114 6.229 -13.751 -3.106 920 H LEU 115 H LEU 115 4.406 -10.204 -1.812 921 HA LEU 115 HA LEU 115 6.834 -8.569 -1.227 922 HB2 LEU 115 HB1 LEU 115 4.045 -8.162 -0.093 923 HB3 LEU 115 HB2 LEU 115 5.502 -7.308 0.450 924 HG LEU 115 HG LEU 115 4.193 -7.062 -2.292 925 HD11 LEU 115 HD11 LEU 115 4.335 -5.112 0.053 926 HD12 LEU 115 HD12 LEU 115 2.913 -6.064 -0.395 927 HD13 LEU 115 HD13 LEU 115 3.528 -4.838 -1.508 928 HD21 LEU 115 HD21 LEU 115 5.758 -5.133 -2.593 929 HD22 LEU 115 HD22 LEU 115 6.626 -6.664 -2.476 930 HD23 LEU 115 HD23 LEU 115 6.572 -5.577 -1.076 931 HA PRO 116 HA PRO 116 7.134 -11.602 2.092 932 HB2 PRO 116 HB1 PRO 116 9.088 -10.520 3.620 933 HB3 PRO 116 HB2 PRO 116 9.421 -11.210 2.002 934 HG2 PRO 116 HG1 PRO 116 8.968 -8.300 2.723 935 HG3 PRO 116 HG2 PRO 116 10.288 -8.998 1.720 936 HD2 PRO 116 HD1 PRO 116 8.012 -7.902 0.634 937 HD3 PRO 116 HD2 PRO 116 8.847 -9.293 -0.114 938 H VAL 117 H VAL 117 5.917 -11.813 3.901 939 HA VAL 117 HA VAL 117 4.963 -9.466 5.376 940 HB VAL 117 HB VAL 117 4.490 -12.397 5.493 941 HG11 VAL 117 HG11 VAL 117 3.470 -10.585 7.686 942 HG12 VAL 117 HG12 VAL 117 2.996 -12.278 7.385 943 HG13 VAL 117 HG13 VAL 117 4.645 -11.905 7.880 944 HG21 VAL 117 HG21 VAL 117 2.212 -11.776 5.056 945 HG22 VAL 117 HG22 VAL 117 2.524 -10.087 5.493 946 HG23 VAL 117 HG23 VAL 117 3.236 -10.773 4.012 947 H GLU 118 H GLU 118 5.298 -8.977 7.570 948 HA GLU 118 HA GLU 118 7.036 -10.658 9.201 949 HB2 GLU 118 HB1 GLU 118 8.533 -8.923 8.092 950 HB3 GLU 118 HB2 GLU 118 7.620 -7.692 8.971 951 HG2 GLU 118 HG1 GLU 118 8.260 -8.912 11.107 952 HG3 GLU 118 HG2 GLU 118 9.284 -9.979 10.138 953 H ALA 119 H ALA 119 6.706 -10.089 11.559 954 HA ALA 119 HA ALA 119 4.075 -8.804 12.138 955 HB1 ALA 119 HB1 ALA 119 4.487 -9.676 14.419 956 HB2 ALA 119 HB2 ALA 119 4.524 -10.982 13.219 957 HB3 ALA 119 HB3 ALA 119 6.041 -10.348 13.896 958 H ARG 120 H ARG 120 4.385 -6.620 11.975 959 HA ARG 120 HA ARG 120 7.077 -5.621 12.628 960 HB2 ARG 120 HB1 ARG 120 5.384 -5.503 10.271 961 HB3 ARG 120 HB2 ARG 120 5.890 -3.867 10.724 962 HG2 ARG 120 HG1 ARG 120 7.889 -6.128 10.668 963 HG3 ARG 120 HG2 ARG 120 7.422 -5.325 9.161 964 HD2 ARG 120 HD1 ARG 120 9.479 -4.351 9.982 965 HD3 ARG 120 HD2 ARG 120 8.178 -3.150 10.108 966 HE ARG 120 HE ARG 120 8.118 -3.478 12.490 967 HH11 ARG 120 HH12 ARG 120 10.428 -5.732 11.092 968 HH12 ARG 120 HH11 ARG 120 10.882 -6.310 12.590 969 HH21 ARG 120 HH22 ARG 120 8.596 -4.280 14.261 970 HH22 ARG 120 HH21 ARG 120 9.943 -5.394 14.491 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 11.734 -3.191 -7.358 2 H2 GLY 1 2H GLY 1 13.056 -2.285 -7.571 3 H3 GLY 1 3H GLY 1 12.936 -3.284 -6.243 4 HA2 GLY 1 HA3 GLY 1 13.022 -4.156 -9.072 5 HA3 GLY 1 HA2 GLY 1 14.409 -4.226 -7.961 6 H SER 2 H SER 2 13.745 -6.594 -9.019 7 HA SER 2 HA SER 2 13.323 -8.791 -8.379 8 HB2 SER 2 HB1 SER 2 14.391 -7.498 -5.859 9 HB3 SER 2 HB2 SER 2 14.571 -9.200 -6.348 10 HG SER 2 HG SER 2 16.417 -7.967 -6.918 11 H PHE 3 H PHE 3 10.817 -7.834 -8.342 12 HA PHE 3 HA PHE 3 8.778 -8.680 -7.865 13 HB2 PHE 3 HB1 PHE 3 9.795 -9.748 -5.227 14 HB3 PHE 3 HB2 PHE 3 8.226 -10.078 -5.990 15 HD1 PHE 3 HD1 PHE 3 8.448 -11.043 -8.517 16 HD2 PHE 3 HD2 PHE 3 11.379 -11.447 -5.384 17 HE1 PHE 3 HE1 PHE 3 9.420 -13.012 -9.676 18 HE2 PHE 3 HE2 PHE 3 12.348 -13.415 -6.542 19 HZ PHE 3 HZ PHE 3 11.374 -14.198 -8.694 20 H THR 4 H THR 4 10.463 -6.528 -6.029 21 HA THR 4 HA THR 4 9.921 -4.365 -5.603 22 HB THR 4 HB THR 4 7.875 -3.483 -4.748 23 HG1 THR 4 HG1 THR 4 6.968 -6.108 -4.973 24 HG21 THR 4 HG21 THR 4 7.409 -5.033 -7.321 25 HG22 THR 4 HG22 THR 4 8.268 -3.481 -7.170 26 HG23 THR 4 HG23 THR 4 6.547 -3.579 -6.772 27 H GLU 5 H GLU 5 11.010 -3.723 -3.966 28 HA GLU 5 HA GLU 5 11.319 -5.353 -1.658 29 HB2 GLU 5 HB1 GLU 5 12.837 -3.656 -0.854 30 HB3 GLU 5 HB2 GLU 5 13.214 -4.246 -2.473 31 HG2 GLU 5 HG1 GLU 5 11.943 -1.559 -1.881 32 HG3 GLU 5 HG2 GLU 5 13.701 -1.849 -2.017 33 H GLY 6 H GLY 6 9.756 -5.673 -0.328 34 HA2 GLY 6 HA3 GLY 6 8.429 -3.557 1.177 35 HA3 GLY 6 HA2 GLY 6 7.423 -4.386 -0.033 36 H TRP 7 H TRP 7 6.513 -4.506 2.411 37 HA TRP 7 HA TRP 7 6.434 -7.310 2.945 38 HB2 TRP 7 HB1 TRP 7 7.070 -7.326 5.264 39 HB3 TRP 7 HB2 TRP 7 8.437 -6.796 4.295 40 HD1 TRP 7 HD TRP 7 6.425 -5.943 7.248 41 HE1 TRP 7 HE1 TRP 7 7.041 -3.683 8.230 42 HE3 TRP 7 3HE TRP 7 9.356 -4.162 3.439 43 HZ2 TRP 7 HZ2 TRP 7 8.342 -1.239 7.328 44 HZ3 TRP 7 HZ3 TRP 7 10.221 -1.849 3.507 45 HH2 TRP 7 HH TRP 7 9.717 -0.374 5.443 46 H VAL 8 H VAL 8 4.541 -7.877 4.017 47 HA VAL 8 HA VAL 8 2.523 -5.725 4.439 48 HB VAL 8 HB VAL 8 2.203 -8.746 4.333 49 HG11 VAL 8 HG11 VAL 8 0.053 -6.591 4.398 50 HG12 VAL 8 HG12 VAL 8 -0.222 -8.324 4.193 51 HG13 VAL 8 HG13 VAL 8 0.411 -7.728 5.723 52 HG21 VAL 8 HG21 VAL 8 2.727 -8.000 2.133 53 HG22 VAL 8 HG22 VAL 8 0.963 -8.072 2.158 54 HG23 VAL 8 HG23 VAL 8 1.772 -6.514 2.313 55 H ARG 9 H ARG 9 1.487 -5.396 6.435 56 HA ARG 9 HA ARG 9 3.237 -5.768 8.657 57 HB2 ARG 9 HB1 ARG 9 1.580 -3.842 8.211 58 HB3 ARG 9 HB2 ARG 9 0.355 -4.891 8.949 59 HG2 ARG 9 HG1 ARG 9 2.146 -5.204 10.846 60 HG3 ARG 9 HG2 ARG 9 2.902 -3.752 10.164 61 HD2 ARG 9 HD1 ARG 9 0.746 -2.524 10.537 62 HD3 ARG 9 HD2 ARG 9 0.070 -3.985 11.275 63 HE ARG 9 HE ARG 9 2.621 -2.818 12.321 64 HH11 ARG 9 HH12 ARG 9 -0.645 -3.854 13.249 65 HH12 ARG 9 HH11 ARG 9 -0.431 -3.209 14.847 66 HH21 ARG 9 HH22 ARG 9 2.890 -2.302 14.226 67 HH22 ARG 9 HH21 ARG 9 1.632 -2.370 15.465 68 H PHE 10 H PHE 10 3.531 -7.573 9.726 69 HA PHE 10 HA PHE 10 1.614 -9.619 10.382 70 HB2 PHE 10 HB1 PHE 10 3.699 -10.373 10.816 71 HB3 PHE 10 HB2 PHE 10 4.325 -8.783 11.259 72 HD1 PHE 10 HD2 PHE 10 3.911 -7.873 13.583 73 HD2 PHE 10 HD1 PHE 10 3.019 -11.942 12.499 74 HE1 PHE 10 HE2 PHE 10 3.680 -8.467 15.981 75 HE2 PHE 10 HE1 PHE 10 2.748 -12.524 14.891 76 HZ PHE 10 HZ PHE 10 3.051 -10.777 16.633 77 H SER 11 H SER 11 -0.071 -9.647 11.898 78 HA SER 11 HA SER 11 -0.050 -7.909 14.203 79 HB2 SER 11 HB1 SER 11 -1.723 -7.323 11.758 80 HB3 SER 11 HB2 SER 11 -2.360 -6.978 13.375 81 HG SER 11 HG SER 11 0.223 -6.163 12.585 82 HA PRO 12 HA PRO 12 -3.027 -11.181 15.257 83 HB2 PRO 12 HB1 PRO 12 -3.087 -10.913 17.922 84 HB3 PRO 12 HB2 PRO 12 -1.556 -11.350 17.101 85 HG2 PRO 12 HG1 PRO 12 -2.451 -8.595 18.009 86 HG3 PRO 12 HG2 PRO 12 -0.873 -9.405 18.327 87 HD2 PRO 12 HD1 PRO 12 -1.317 -7.623 16.240 88 HD3 PRO 12 HD2 PRO 12 -0.113 -8.943 16.180 89 H GLY 13 H GLY 13 -4.538 -9.657 13.894 90 HA2 GLY 13 HA3 GLY 13 -6.827 -8.921 15.540 91 HA3 GLY 13 HA2 GLY 13 -5.979 -7.522 14.843 92 HA PRO 14 HA PRO 14 -9.061 -8.981 11.641 93 HB2 PRO 14 HB1 PRO 14 -11.092 -7.251 11.961 94 HB3 PRO 14 HB2 PRO 14 -10.863 -8.584 13.129 95 HG2 PRO 14 HG1 PRO 14 -9.907 -5.712 13.395 96 HG3 PRO 14 HG2 PRO 14 -10.866 -6.665 14.583 97 HD2 PRO 14 HD1 PRO 14 -8.120 -6.442 14.698 98 HD3 PRO 14 HD2 PRO 14 -8.991 -7.910 15.229 99 H ASN 15 H ASN 15 -7.076 -6.315 12.227 100 HA ASN 15 HA ASN 15 -7.371 -5.350 9.455 101 HB2 ASN 15 HB1 ASN 15 -7.068 -3.072 10.122 102 HB3 ASN 15 HB2 ASN 15 -8.533 -3.738 10.861 103 HD21 ASN 15 HD21 ASN 15 -7.546 -1.384 11.833 104 HD22 ASN 15 HD22 ASN 15 -6.875 -1.688 13.431 105 H ALA 16 H ALA 16 -5.517 -4.523 8.551 106 HA ALA 16 HA ALA 16 -2.899 -4.576 9.822 107 HB1 ALA 16 HB1 ALA 16 -3.252 -6.977 9.360 108 HB2 ALA 16 HB2 ALA 16 -3.600 -6.623 7.660 109 HB3 ALA 16 HB3 ALA 16 -1.974 -6.342 8.324 110 H ALA 17 H ALA 17 -1.344 -4.553 7.494 111 HA ALA 17 HA ALA 17 -2.401 -2.508 5.686 112 HB1 ALA 17 HB1 ALA 17 -1.506 -1.227 7.663 113 HB2 ALA 17 HB2 ALA 17 0.063 -2.010 7.421 114 HB3 ALA 17 HB3 ALA 17 -0.584 -0.922 6.179 115 H ALA 18 H ALA 18 -1.117 -2.508 3.674 116 HA ALA 18 HA ALA 18 1.267 -4.320 3.666 117 HB1 ALA 18 HB1 ALA 18 0.962 -4.614 1.281 118 HB2 ALA 18 HB2 ALA 18 -0.517 -5.097 2.135 119 HB3 ALA 18 HB3 ALA 18 -0.433 -3.544 1.277 120 H TYR 19 H TYR 19 3.187 -3.578 3.180 121 HA TYR 19 HA TYR 19 3.542 -0.780 2.209 122 HB2 TYR 19 HB1 TYR 19 5.578 -2.369 3.767 123 HB3 TYR 19 HB2 TYR 19 5.479 -0.626 3.582 124 HD1 TYR 19 HD1 TYR 19 2.920 0.202 4.566 125 HD2 TYR 19 HD2 TYR 19 5.304 -3.121 5.886 126 HE1 TYR 19 HE1 TYR 19 1.834 0.313 6.802 127 HE2 TYR 19 HE2 TYR 19 4.253 -3.030 8.118 128 HH TYR 19 HH TYR 19 1.793 -0.537 8.939 129 H LEU 20 H LEU 20 4.857 -0.532 0.379 130 HA LEU 20 HA LEU 20 6.829 -2.457 -0.391 131 HB2 LEU 20 HB1 LEU 20 5.939 -3.327 -2.410 132 HB3 LEU 20 HB2 LEU 20 4.824 -3.760 -1.127 133 HG LEU 20 HG LEU 20 4.385 -1.443 -3.068 134 HD11 LEU 20 HD11 LEU 20 2.876 -2.947 -4.262 135 HD12 LEU 20 HD12 LEU 20 3.311 -4.286 -3.173 136 HD13 LEU 20 HD13 LEU 20 4.526 -3.577 -4.263 137 HD21 LEU 20 HD21 LEU 20 2.999 -1.190 -1.049 138 HD22 LEU 20 HD22 LEU 20 2.472 -2.883 -1.162 139 HD23 LEU 20 HD23 LEU 20 1.992 -1.698 -2.397 140 H THR 21 H THR 21 8.141 -1.877 -2.065 141 HA THR 21 HA THR 21 7.979 0.959 -2.869 142 HB THR 21 HB THR 21 10.245 -0.972 -3.322 143 HG1 THR 21 HG1 THR 21 10.015 -0.889 -1.192 144 HG21 THR 21 HG21 THR 21 11.515 1.207 -3.291 145 HG22 THR 21 HG22 THR 21 9.964 2.074 -3.276 146 HG23 THR 21 HG23 THR 21 10.400 1.052 -4.667 147 H LEU 22 H LEU 22 6.433 1.050 -4.377 148 HA LEU 22 HA LEU 22 6.614 -0.663 -6.767 149 HB2 LEU 22 HB1 LEU 22 4.453 -0.053 -5.743 150 HB3 LEU 22 HB2 LEU 22 4.730 1.644 -6.105 151 HG LEU 22 HG LEU 22 3.152 0.285 -7.585 152 HD11 LEU 22 HD11 LEU 22 3.889 2.500 -8.204 153 HD12 LEU 22 HD12 LEU 22 3.734 1.466 -9.629 154 HD13 LEU 22 HD13 LEU 22 5.343 1.849 -8.995 155 HD21 LEU 22 HD21 LEU 22 5.678 -0.728 -8.953 156 HD22 LEU 22 HD22 LEU 22 4.001 -1.067 -9.377 157 HD23 LEU 22 HD23 LEU 22 4.671 -1.706 -7.866 158 H GLU 23 H GLU 23 7.466 -0.080 -8.677 159 HA GLU 23 HA GLU 23 8.866 2.524 -8.924 160 HB2 GLU 23 HB1 GLU 23 10.829 1.402 -9.697 161 HB3 GLU 23 HB2 GLU 23 10.361 0.704 -8.128 162 HG2 GLU 23 HG1 GLU 23 9.179 -1.120 -9.561 163 HG3 GLU 23 HG2 GLU 23 10.168 -0.519 -10.901 164 H ASN 24 H ASN 24 9.038 3.339 -11.000 165 HA ASN 24 HA ASN 24 7.303 2.026 -13.055 166 HB2 ASN 24 HB1 ASN 24 6.623 4.250 -12.167 167 HB3 ASN 24 HB2 ASN 24 8.117 4.942 -12.807 168 HD21 ASN 24 HD21 ASN 24 5.574 5.853 -13.659 169 HD22 ASN 24 HD22 ASN 24 5.465 5.441 -15.375 170 HA PRO 25 HA PRO 25 11.420 1.761 -15.034 171 HB2 PRO 25 HB1 PRO 25 11.045 -0.498 -16.510 172 HB3 PRO 25 HB2 PRO 25 11.288 -0.570 -14.738 173 HG2 PRO 25 HG1 PRO 25 8.653 -0.581 -16.246 174 HG3 PRO 25 HG2 PRO 25 9.194 -1.737 -14.979 175 HD2 PRO 25 HD1 PRO 25 7.604 0.418 -14.411 176 HD3 PRO 25 HD2 PRO 25 8.863 -0.144 -13.274 177 H GLY 26 H GLY 26 8.259 2.346 -16.300 178 HA2 GLY 26 HA3 GLY 26 9.017 2.373 -19.125 179 HA3 GLY 26 HA2 GLY 26 7.437 2.777 -18.416 180 H ASP 27 H ASP 27 7.915 4.365 -20.251 181 HA ASP 27 HA ASP 27 9.357 6.805 -19.352 182 HB2 ASP 27 HB1 ASP 27 8.562 5.750 -22.085 183 HB3 ASP 27 HB2 ASP 27 9.388 7.299 -21.793 184 H LEU 28 H LEU 28 6.348 5.776 -19.021 185 HA LEU 28 HA LEU 28 5.148 8.461 -19.255 186 HB2 LEU 28 HB1 LEU 28 3.070 7.516 -20.046 187 HB3 LEU 28 HB2 LEU 28 4.412 7.130 -21.147 188 HG LEU 28 HG LEU 28 4.418 4.799 -19.968 189 HD11 LEU 28 HD11 LEU 28 2.934 5.198 -18.063 190 HD12 LEU 28 HD12 LEU 28 2.100 4.130 -19.180 191 HD13 LEU 28 HD13 LEU 28 1.674 5.855 -19.123 192 HD21 LEU 28 HD21 LEU 28 3.689 5.204 -22.288 193 HD22 LEU 28 HD22 LEU 28 2.072 5.671 -21.711 194 HD23 LEU 28 HD23 LEU 28 2.656 4.003 -21.502 195 HA PRO 29 HA PRO 29 4.341 7.795 -15.094 196 HB2 PRO 29 HB1 PRO 29 2.148 9.268 -14.438 197 HB3 PRO 29 HB2 PRO 29 3.662 9.987 -15.065 198 HG2 PRO 29 HG1 PRO 29 1.128 9.329 -16.578 199 HG3 PRO 29 HG2 PRO 29 2.121 10.825 -16.677 200 HD2 PRO 29 HD1 PRO 29 2.290 8.708 -18.469 201 HD3 PRO 29 HD2 PRO 29 3.662 9.780 -18.116 202 H LEU 30 H LEU 30 3.368 6.579 -13.497 203 HA LEU 30 HA LEU 30 1.201 4.659 -14.276 204 HB2 LEU 30 HB1 LEU 30 3.714 4.483 -12.804 205 HB3 LEU 30 HB2 LEU 30 2.342 3.813 -11.897 206 HG LEU 30 HG LEU 30 1.841 2.265 -13.622 207 HD11 LEU 30 HD11 LEU 30 3.206 1.922 -15.619 208 HD12 LEU 30 HD12 LEU 30 4.058 3.451 -15.305 209 HD13 LEU 30 HD13 LEU 30 2.320 3.448 -15.679 210 HD21 LEU 30 HD21 LEU 30 3.616 1.744 -11.987 211 HD22 LEU 30 HD22 LEU 30 4.833 2.332 -13.138 212 HD23 LEU 30 HD23 LEU 30 3.857 0.891 -13.524 213 H ARG 31 H ARG 31 -0.667 5.102 -13.422 214 HA ARG 31 HA ARG 31 -0.895 6.655 -10.857 215 HB2 ARG 31 HB1 ARG 31 -1.791 7.834 -12.813 216 HB3 ARG 31 HB2 ARG 31 -2.956 6.533 -13.074 217 HG2 ARG 31 HG1 ARG 31 -4.070 7.006 -10.997 218 HG3 ARG 31 HG2 ARG 31 -2.766 8.078 -10.448 219 HD2 ARG 31 HD1 ARG 31 -4.629 8.637 -12.787 220 HD3 ARG 31 HD2 ARG 31 -4.753 9.339 -11.150 221 HE ARG 31 HE ARG 31 -2.536 10.400 -11.536 222 HH11 ARG 31 HH12 ARG 31 -4.434 9.713 -14.441 223 HH12 ARG 31 HH11 ARG 31 -3.392 10.722 -15.420 224 HH21 ARG 31 HH22 ARG 31 -1.206 11.419 -12.778 225 HH22 ARG 31 HH21 ARG 31 -1.550 11.749 -14.455 226 H LEU 32 H LEU 32 -1.024 5.268 -9.315 227 HA LEU 32 HA LEU 32 -2.203 2.576 -9.552 228 HB2 LEU 32 HB1 LEU 32 -0.013 2.846 -8.559 229 HB3 LEU 32 HB2 LEU 32 -0.615 4.073 -7.429 230 HG LEU 32 HG LEU 32 -2.012 2.271 -6.334 231 HD11 LEU 32 HD11 LEU 32 -1.411 -0.090 -6.813 232 HD12 LEU 32 HD12 LEU 32 -0.386 0.449 -8.166 233 HD13 LEU 32 HD13 LEU 32 -2.145 0.675 -8.214 234 HD21 LEU 32 HD21 LEU 32 1.000 1.778 -6.461 235 HD22 LEU 32 HD22 LEU 32 -0.092 1.240 -5.166 236 HD23 LEU 32 HD23 LEU 32 0.180 2.969 -5.426 237 H VAL 33 H VAL 33 -4.349 2.443 -9.285 238 HA VAL 33 HA VAL 33 -5.797 4.520 -7.695 239 HB VAL 33 HB VAL 33 -7.803 3.897 -8.988 240 HG11 VAL 33 HG11 VAL 33 -7.154 4.927 -11.103 241 HG12 VAL 33 HG12 VAL 33 -6.352 5.743 -9.755 242 HG13 VAL 33 HG13 VAL 33 -5.442 4.615 -10.769 243 HG21 VAL 33 HG21 VAL 33 -7.722 2.502 -10.959 244 HG22 VAL 33 HG22 VAL 33 -5.998 2.184 -10.742 245 HG23 VAL 33 HG23 VAL 33 -7.180 1.528 -9.585 246 H GLY 34 H GLY 34 -4.944 1.181 -7.508 247 HA2 GLY 34 HA3 GLY 34 -6.224 0.784 -5.029 248 HA3 GLY 34 HA2 GLY 34 -7.265 0.094 -6.295 249 H ALA 35 H ALA 35 -6.836 -1.920 -5.091 250 HA ALA 35 HA ALA 35 -4.818 -3.440 -6.421 251 HB1 ALA 35 HB1 ALA 35 -3.303 -2.602 -4.755 252 HB2 ALA 35 HB2 ALA 35 -4.509 -2.779 -3.453 253 HB3 ALA 35 HB3 ALA 35 -3.761 -4.201 -4.163 254 H ARG 36 H ARG 36 -4.757 -5.796 -5.467 255 HA ARG 36 HA ARG 36 -6.952 -6.412 -3.674 256 HB2 ARG 36 HB1 ARG 36 -7.856 -8.342 -4.887 257 HB3 ARG 36 HB2 ARG 36 -8.248 -6.742 -5.589 258 HG2 ARG 36 HG1 ARG 36 -7.967 -7.940 -7.451 259 HG3 ARG 36 HG2 ARG 36 -6.362 -7.289 -7.283 260 HD2 ARG 36 HD1 ARG 36 -7.307 -10.123 -6.582 261 HD3 ARG 36 HD2 ARG 36 -6.372 -9.658 -8.024 262 HE ARG 36 HE ARG 36 -4.873 -8.843 -5.830 263 HH11 ARG 36 HH12 ARG 36 -5.036 -11.709 -7.759 264 HH12 ARG 36 HH11 ARG 36 -4.116 -12.621 -6.565 265 HH21 ARG 36 HH22 ARG 36 -3.392 -10.014 -4.635 266 HH22 ARG 36 HH21 ARG 36 -3.131 -11.689 -5.083 267 H THR 37 H THR 37 -6.722 -8.476 -2.611 268 HA THR 37 HA THR 37 -4.205 -9.962 -2.951 269 HB THR 37 HB THR 37 -3.394 -8.145 -1.684 270 HG1 THR 37 HG1 THR 37 -2.524 -9.987 -1.044 271 HG21 THR 37 HG21 THR 37 -4.175 -7.682 0.617 272 HG22 THR 37 HG22 THR 37 -5.548 -8.785 0.387 273 HG23 THR 37 HG23 THR 37 -5.437 -7.281 -0.557 274 HA PRO 38 HA PRO 38 -7.058 -13.042 -1.296 275 HB2 PRO 38 HB1 PRO 38 -5.318 -14.874 -0.200 276 HB3 PRO 38 HB2 PRO 38 -5.671 -14.737 -1.950 277 HG2 PRO 38 HG1 PRO 38 -3.323 -13.582 -0.444 278 HG3 PRO 38 HG2 PRO 38 -3.313 -14.493 -2.000 279 HD2 PRO 38 HD1 PRO 38 -3.243 -11.773 -1.941 280 HD3 PRO 38 HD2 PRO 38 -4.182 -12.654 -3.179 281 H VAL 39 H VAL 39 -4.396 -11.630 0.659 282 HA VAL 39 HA VAL 39 -5.487 -12.815 3.067 283 HB VAL 39 HB VAL 39 -3.678 -11.953 4.302 284 HG11 VAL 39 HG11 VAL 39 -2.562 -12.667 1.567 285 HG12 VAL 39 HG12 VAL 39 -1.874 -13.012 3.173 286 HG13 VAL 39 HG13 VAL 39 -3.346 -13.840 2.636 287 HG21 VAL 39 HG21 VAL 39 -2.871 -10.221 1.924 288 HG22 VAL 39 HG22 VAL 39 -3.588 -9.613 3.429 289 HG23 VAL 39 HG23 VAL 39 -2.007 -10.389 3.460 290 H ALA 40 H ALA 40 -6.889 -10.375 1.597 291 HA ALA 40 HA ALA 40 -7.861 -9.086 4.084 292 HB1 ALA 40 HB1 ALA 40 -6.171 -7.589 2.936 293 HB2 ALA 40 HB2 ALA 40 -7.257 -7.544 1.530 294 HB3 ALA 40 HB3 ALA 40 -7.798 -6.886 3.086 295 H GLU 41 H GLU 41 -9.987 -7.957 3.609 296 HA GLU 41 HA GLU 41 -11.409 -9.181 1.289 297 HB2 GLU 41 HB1 GLU 41 -12.281 -9.724 3.633 298 HB3 GLU 41 HB2 GLU 41 -12.777 -8.038 3.759 299 HG2 GLU 41 HG1 GLU 41 -14.668 -9.365 3.019 300 HG3 GLU 41 HG2 GLU 41 -14.154 -8.362 1.656 301 H ARG 42 H ARG 42 -12.177 -6.254 3.219 302 HA ARG 42 HA ARG 42 -12.035 -4.571 0.819 303 HB2 ARG 42 HB1 ARG 42 -13.666 -4.145 2.653 304 HB3 ARG 42 HB2 ARG 42 -12.325 -3.745 3.734 305 HG2 ARG 42 HG1 ARG 42 -11.670 -1.887 2.226 306 HG3 ARG 42 HG2 ARG 42 -13.006 -2.305 1.127 307 HD2 ARG 42 HD1 ARG 42 -14.631 -1.849 2.956 308 HD3 ARG 42 HD2 ARG 42 -13.276 -1.400 4.026 309 HE ARG 42 HE ARG 42 -12.928 0.591 2.793 310 HH11 ARG 42 HH12 ARG 42 -15.752 -1.057 1.430 311 HH12 ARG 42 HH11 ARG 42 -16.250 0.393 0.595 312 HH21 ARG 42 HH22 ARG 42 -13.486 2.219 1.753 313 HH22 ARG 42 HH21 ARG 42 -14.915 2.302 0.727 314 H VAL 43 H VAL 43 -10.221 -3.790 0.054 315 HA VAL 43 HA VAL 43 -7.942 -3.137 1.837 316 HB VAL 43 HB VAL 43 -7.158 -4.878 0.447 317 HG11 VAL 43 HG11 VAL 43 -8.198 -3.403 -2.008 318 HG12 VAL 43 HG12 VAL 43 -7.203 -4.871 -2.005 319 HG13 VAL 43 HG13 VAL 43 -8.838 -4.923 -1.342 320 HG21 VAL 43 HG21 VAL 43 -5.303 -3.882 -0.689 321 HG22 VAL 43 HG22 VAL 43 -6.171 -2.354 -0.942 322 HG23 VAL 43 HG23 VAL 43 -5.684 -2.833 0.693 323 H GLU 44 H GLU 44 -7.181 -1.052 1.754 324 HA GLU 44 HA GLU 44 -8.315 0.861 -0.268 325 HB2 GLU 44 HB1 GLU 44 -8.097 1.315 2.727 326 HB3 GLU 44 HB2 GLU 44 -8.680 2.472 1.505 327 HG2 GLU 44 HG1 GLU 44 -10.589 0.901 1.050 328 HG3 GLU 44 HG2 GLU 44 -10.050 -0.070 2.437 329 H LEU 45 H LEU 45 -6.609 2.121 -1.183 330 HA LEU 45 HA LEU 45 -4.117 2.365 0.303 331 HB2 LEU 45 HB1 LEU 45 -4.393 2.150 -2.216 332 HB3 LEU 45 HB2 LEU 45 -4.947 3.822 -2.235 333 HG LEU 45 HG LEU 45 -2.358 3.141 -0.789 334 HD11 LEU 45 HD11 LEU 45 -2.024 1.948 -2.768 335 HD12 LEU 45 HD12 LEU 45 -1.128 3.445 -2.922 336 HD13 LEU 45 HD13 LEU 45 -2.685 3.250 -3.792 337 HD21 LEU 45 HD21 LEU 45 -3.191 5.431 -2.619 338 HD22 LEU 45 HD22 LEU 45 -1.696 5.344 -1.643 339 HD23 LEU 45 HD23 LEU 45 -3.258 5.481 -0.833 340 H HIS 46 H HIS 46 -3.727 3.758 1.796 341 HA HIS 46 HA HIS 46 -5.333 6.258 2.084 342 HB2 HIS 46 HB1 HIS 46 -3.751 4.589 4.044 343 HB3 HIS 46 HB2 HIS 46 -4.415 6.169 4.456 344 HD2 HIS 46 HD2 HIS 46 -6.936 3.924 2.624 345 HE1 HIS 46 HE1 HIS 46 -7.833 3.691 6.751 346 HE2 HIS 46 HE2 HIS 46 -8.626 3.048 4.422 347 H GLU 47 H GLU 47 -4.359 8.150 2.694 348 HA GLU 47 HA GLU 47 -1.458 8.510 2.114 349 HB2 GLU 47 HB1 GLU 47 -1.815 10.726 1.763 350 HB3 GLU 47 HB2 GLU 47 -3.403 10.131 1.279 351 HG2 GLU 47 HG1 GLU 47 -4.078 10.581 3.749 352 HG3 GLU 47 HG2 GLU 47 -2.560 11.497 3.852 353 H THR 48 H THR 48 -0.129 9.484 3.711 354 HA THR 48 HA THR 48 -1.298 9.854 6.447 355 HB THR 48 HB THR 48 1.641 9.561 5.730 356 HG1 THR 48 HG1 THR 48 -0.137 7.786 5.802 357 HG21 THR 48 HG21 THR 48 1.962 9.365 8.180 358 HG22 THR 48 HG22 THR 48 0.227 9.624 8.442 359 HG23 THR 48 HG23 THR 48 1.247 10.922 7.783 360 H PHE 49 H PHE 49 -1.080 11.917 7.251 361 HA PHE 49 HA PHE 49 0.186 13.980 5.527 362 HB2 PHE 49 HB1 PHE 49 -1.797 15.395 5.776 363 HB3 PHE 49 HB2 PHE 49 -2.157 13.902 4.895 364 HD1 PHE 49 HD2 PHE 49 -2.649 15.721 8.131 365 HD2 PHE 49 HD1 PHE 49 -3.724 12.268 5.794 366 HE1 PHE 49 HE2 PHE 49 -4.628 15.365 9.570 367 HE2 PHE 49 HE1 PHE 49 -5.690 11.923 7.254 368 HZ PHE 49 HZ PHE 49 -6.179 13.435 9.074 369 H MET 50 H MET 50 0.709 15.901 6.576 370 HA MET 50 HA MET 50 0.381 16.064 9.533 371 HB2 MET 50 HB1 MET 50 2.732 16.010 9.115 372 HB3 MET 50 HB2 MET 50 2.583 17.051 7.676 373 HG2 MET 50 HG1 MET 50 1.957 18.936 9.017 374 HG3 MET 50 HG2 MET 50 1.864 17.942 10.478 375 HE1 MET 50 HE1 MET 50 5.845 19.086 8.376 376 HE2 MET 50 HE2 MET 50 4.790 17.815 7.740 377 HE3 MET 50 HE3 MET 50 4.240 19.512 7.744 378 H ARG 51 H ARG 51 -1.181 17.502 10.001 379 HA ARG 51 HA ARG 51 -1.571 19.976 8.424 380 HB2 ARG 51 HB1 ARG 51 -3.744 17.888 8.871 381 HB3 ARG 51 HB2 ARG 51 -4.080 19.583 8.422 382 HG2 ARG 51 HG1 ARG 51 -2.757 19.270 6.347 383 HG3 ARG 51 HG2 ARG 51 -2.576 17.550 6.747 384 HD2 ARG 51 HD1 ARG 51 -5.087 17.353 6.782 385 HD3 ARG 51 HD2 ARG 51 -5.178 19.038 6.216 386 HE ARG 51 HE ARG 51 -4.006 18.339 4.176 387 HH11 ARG 51 HH12 ARG 51 -5.365 15.582 6.022 388 HH12 ARG 51 HH11 ARG 51 -4.979 14.521 4.672 389 HH21 ARG 51 HH22 ARG 51 -3.625 16.722 2.574 390 HH22 ARG 51 HH21 ARG 51 -4.148 15.089 2.952 391 H GLU 52 H GLU 52 -3.206 21.410 9.584 392 HA GLU 52 HA GLU 52 -3.135 21.267 12.496 393 HB2 GLU 52 HB1 GLU 52 -4.273 23.091 10.428 394 HB3 GLU 52 HB2 GLU 52 -5.055 23.055 12.038 395 HG2 GLU 52 HG1 GLU 52 -3.289 24.781 11.859 396 HG3 GLU 52 HG2 GLU 52 -3.032 23.592 13.154 397 H VAL 53 H VAL 53 -4.890 20.893 13.790 398 HA VAL 53 HA VAL 53 -7.429 19.871 12.591 399 HB VAL 53 HB VAL 53 -6.122 18.484 14.934 400 HG11 VAL 53 HG11 VAL 53 -8.684 17.855 13.384 401 HG12 VAL 53 HG12 VAL 53 -7.976 16.849 14.667 402 HG13 VAL 53 HG13 VAL 53 -8.607 18.450 15.053 403 HG21 VAL 53 HG21 VAL 53 -5.917 16.521 13.448 404 HG22 VAL 53 HG22 VAL 53 -6.544 17.467 12.082 405 HG23 VAL 53 HG23 VAL 53 -4.978 17.874 12.810 406 H GLU 54 H GLU 54 -6.965 19.822 15.960 407 HA GLU 54 HA GLU 54 -8.738 22.069 16.469 408 HB2 GLU 54 HB1 GLU 54 -8.154 21.604 18.889 409 HB3 GLU 54 HB2 GLU 54 -9.046 20.355 17.985 410 HG2 GLU 54 HG1 GLU 54 -7.313 18.886 18.001 411 HG3 GLU 54 HG2 GLU 54 -6.080 20.167 17.944 412 H GLY 55 H GLY 55 -7.200 23.406 15.067 413 HA2 GLY 55 HA3 GLY 55 -6.033 25.365 14.936 414 HA3 GLY 55 HA2 GLY 55 -5.956 25.398 16.713 415 H LYS 56 H LYS 56 -4.529 22.759 16.717 416 HA LYS 56 HA LYS 56 -1.758 23.627 16.095 417 HB2 LYS 56 HB1 LYS 56 -1.202 22.277 17.973 418 HB3 LYS 56 HB2 LYS 56 -2.646 23.167 18.472 419 HG2 LYS 56 HG1 LYS 56 -3.956 21.058 17.704 420 HG3 LYS 56 HG2 LYS 56 -2.374 20.244 17.650 421 HD2 LYS 56 HD1 LYS 56 -3.358 19.694 19.739 422 HD3 LYS 56 HD2 LYS 56 -2.080 20.854 20.100 423 HE2 LYS 56 HE1 LYS 56 -3.651 22.582 20.573 424 HE3 LYS 56 HE2 LYS 56 -4.928 21.774 19.600 425 HZ1 LYS 56 HZ1 LYS 56 -5.555 21.395 21.757 426 HZ2 LYS 56 HZ2 LYS 56 -4.024 20.940 22.291 427 HZ3 LYS 56 HZ3 LYS 56 -4.963 20.034 21.261 428 H LYS 57 H LYS 57 -0.247 22.012 15.603 429 HA LYS 57 HA LYS 57 -0.886 20.661 13.225 430 HB2 LYS 57 HB1 LYS 57 1.081 22.088 14.004 431 HB3 LYS 57 HB2 LYS 57 1.598 20.704 14.999 432 HG2 LYS 57 HG1 LYS 57 2.902 20.596 13.071 433 HG3 LYS 57 HG2 LYS 57 1.639 19.368 12.888 434 HD2 LYS 57 HD1 LYS 57 1.937 20.461 10.757 435 HD3 LYS 57 HD2 LYS 57 0.394 21.027 11.413 436 HE2 LYS 57 HE1 LYS 57 1.818 23.010 12.370 437 HE3 LYS 57 HE2 LYS 57 3.059 22.498 11.230 438 HZ1 LYS 57 HZ1 LYS 57 1.303 22.782 9.466 439 HZ2 LYS 57 HZ2 LYS 57 1.543 24.197 10.304 440 HZ3 LYS 57 HZ3 LYS 57 0.263 23.261 10.628 441 H VAL 58 H VAL 58 -1.237 18.499 12.868 442 HA VAL 58 HA VAL 58 -0.559 16.414 14.887 443 HB VAL 58 HB VAL 58 -3.236 16.632 13.489 444 HG11 VAL 58 HG11 VAL 58 -2.741 14.316 14.002 445 HG12 VAL 58 HG12 VAL 58 -2.254 14.738 15.661 446 HG13 VAL 58 HG13 VAL 58 -3.950 14.877 15.147 447 HG21 VAL 58 HG21 VAL 58 -4.229 17.108 15.745 448 HG22 VAL 58 HG22 VAL 58 -2.587 17.299 16.391 449 HG23 VAL 58 HG23 VAL 58 -3.212 18.414 15.152 450 H MET 59 H MET 59 -0.131 14.390 13.989 451 HA MET 59 HA MET 59 0.030 14.127 11.030 452 HB2 MET 59 HB1 MET 59 1.272 12.566 13.307 453 HB3 MET 59 HB2 MET 59 1.307 12.039 11.599 454 HG2 MET 59 HG1 MET 59 3.367 13.110 12.013 455 HG3 MET 59 HG2 MET 59 2.410 14.200 11.013 456 HE1 MET 59 HE1 MET 59 4.489 16.764 12.937 457 HE2 MET 59 HE2 MET 59 5.057 15.165 12.407 458 HE3 MET 59 HE3 MET 59 3.953 16.106 11.374 459 H GLY 60 H GLY 60 -1.575 13.108 10.022 460 HA2 GLY 60 HA3 GLY 60 -3.199 11.034 11.420 461 HA3 GLY 60 HA2 GLY 60 -3.988 12.378 10.565 462 H MET 61 H MET 61 -4.899 10.180 9.621 463 HA MET 61 HA MET 61 -3.543 9.613 7.040 464 HB2 MET 61 HB1 MET 61 -4.422 7.533 9.084 465 HB3 MET 61 HB2 MET 61 -3.996 7.152 7.400 466 HG2 MET 61 HG1 MET 61 -1.735 7.828 7.718 467 HG3 MET 61 HG2 MET 61 -2.076 8.531 9.308 468 HE1 MET 61 HE1 MET 61 0.353 5.658 10.122 469 HE2 MET 61 HE2 MET 61 0.336 6.694 8.683 470 HE3 MET 61 HE3 MET 61 0.015 7.397 10.290 471 H ARG 62 H ARG 62 -5.011 8.607 5.457 472 HA ARG 62 HA ARG 62 -7.648 7.927 6.066 473 HB2 ARG 62 HB1 ARG 62 -8.911 9.603 4.639 474 HB3 ARG 62 HB2 ARG 62 -8.496 10.013 6.319 475 HG2 ARG 62 HG1 ARG 62 -8.338 11.935 4.934 476 HG3 ARG 62 HG2 ARG 62 -6.733 11.489 5.526 477 HD2 ARG 62 HD1 ARG 62 -6.551 12.333 3.327 478 HD3 ARG 62 HD2 ARG 62 -6.152 10.623 3.297 479 HE ARG 62 HE ARG 62 -8.543 10.317 2.428 480 HH11 ARG 62 HH12 ARG 62 -6.286 12.800 1.384 481 HH12 ARG 62 HH11 ARG 62 -7.246 13.243 0.033 482 HH21 ARG 62 HH22 ARG 62 -9.579 10.739 0.591 483 HH22 ARG 62 HH21 ARG 62 -9.112 12.062 -0.452 484 HA PRO 63 HA PRO 63 -7.254 5.977 2.041 485 HB2 PRO 63 HB1 PRO 63 -9.864 5.652 1.244 486 HB3 PRO 63 HB2 PRO 63 -9.001 4.574 2.369 487 HG2 PRO 63 HG1 PRO 63 -10.873 6.804 3.010 488 HG3 PRO 63 HG2 PRO 63 -10.746 5.204 3.797 489 HD2 PRO 63 HD1 PRO 63 -9.699 7.506 4.874 490 HD3 PRO 63 HD2 PRO 63 -8.899 5.927 5.086 491 H VAL 64 H VAL 64 -7.077 6.509 -0.057 492 HA VAL 64 HA VAL 64 -8.069 9.194 -0.957 493 HB VAL 64 HB VAL 64 -5.909 9.130 -2.418 494 HG11 VAL 64 HG11 VAL 64 -4.667 10.370 -0.714 495 HG12 VAL 64 HG12 VAL 64 -6.370 10.823 -0.778 496 HG13 VAL 64 HG13 VAL 64 -5.783 9.774 0.542 497 HG21 VAL 64 HG21 VAL 64 -4.855 7.425 -0.141 498 HG22 VAL 64 HG22 VAL 64 -5.119 6.870 -1.814 499 HG23 VAL 64 HG23 VAL 64 -3.926 8.138 -1.467 500 HA PRO 65 HA PRO 65 -9.475 7.013 -4.541 501 HB2 PRO 65 HB1 PRO 65 -9.374 8.846 -6.551 502 HB3 PRO 65 HB2 PRO 65 -10.497 9.001 -5.164 503 HG2 PRO 65 HG1 PRO 65 -7.773 10.301 -5.496 504 HG3 PRO 65 HG2 PRO 65 -9.328 11.094 -5.055 505 HD2 PRO 65 HD1 PRO 65 -7.527 10.324 -3.156 506 HD3 PRO 65 HD2 PRO 65 -9.288 10.147 -2.886 507 H PHE 66 H PHE 66 -6.124 8.277 -4.594 508 HA PHE 66 HA PHE 66 -5.176 6.039 -5.996 509 HB2 PHE 66 HB1 PHE 66 -4.385 6.979 -8.059 510 HB3 PHE 66 HB2 PHE 66 -6.142 6.986 -7.988 511 HD1 PHE 66 HD2 PHE 66 -3.101 9.082 -8.074 512 HD2 PHE 66 HD1 PHE 66 -7.409 9.051 -8.015 513 HE1 PHE 66 HE2 PHE 66 -3.119 11.425 -8.853 514 HE2 PHE 66 HE1 PHE 66 -7.431 11.414 -8.763 515 HZ PHE 66 HZ PHE 66 -5.282 12.608 -9.200 516 H LEU 67 H LEU 67 -2.942 6.131 -6.446 517 HA LEU 67 HA LEU 67 -1.345 8.440 -5.499 518 HB2 LEU 67 HB1 LEU 67 -1.036 5.537 -4.942 519 HB3 LEU 67 HB2 LEU 67 0.422 6.246 -5.663 520 HG LEU 67 HG LEU 67 -0.941 7.114 -3.092 521 HD11 LEU 67 HD11 LEU 67 1.781 5.828 -3.752 522 HD12 LEU 67 HD12 LEU 67 0.407 4.986 -3.018 523 HD13 LEU 67 HD13 LEU 67 1.232 6.267 -2.130 524 HD21 LEU 67 HD21 LEU 67 1.515 8.263 -4.523 525 HD22 LEU 67 HD22 LEU 67 1.152 8.547 -2.814 526 HD23 LEU 67 HD23 LEU 67 0.041 9.140 -4.043 527 H GLU 68 H GLU 68 0.846 8.385 -6.816 528 HA GLU 68 HA GLU 68 0.777 6.900 -9.230 529 HB2 GLU 68 HB1 GLU 68 0.681 8.482 -10.904 530 HB3 GLU 68 HB2 GLU 68 -0.711 8.817 -9.870 531 HG2 GLU 68 HG1 GLU 68 0.517 10.768 -8.917 532 HG3 GLU 68 HG2 GLU 68 1.875 10.413 -10.014 533 H VAL 69 H VAL 69 2.633 7.222 -10.569 534 HA VAL 69 HA VAL 69 5.034 8.193 -9.104 535 HB VAL 69 HB VAL 69 4.918 5.484 -10.512 536 HG11 VAL 69 HG11 VAL 69 7.032 5.052 -9.347 537 HG12 VAL 69 HG12 VAL 69 7.185 6.515 -10.312 538 HG13 VAL 69 HG13 VAL 69 6.963 6.645 -8.558 539 HG21 VAL 69 HG21 VAL 69 4.620 6.082 -7.551 540 HG22 VAL 69 HG22 VAL 69 3.479 5.208 -8.600 541 HG23 VAL 69 HG23 VAL 69 5.045 4.486 -8.207 542 HA PRO 70 HA PRO 70 5.697 9.638 -13.330 543 HB2 PRO 70 HB1 PRO 70 8.095 10.903 -13.037 544 HB3 PRO 70 HB2 PRO 70 6.561 11.576 -12.408 545 HG2 PRO 70 HG1 PRO 70 8.645 9.957 -10.904 546 HG3 PRO 70 HG2 PRO 70 7.888 11.512 -10.405 547 HD2 PRO 70 HD1 PRO 70 6.982 9.087 -9.506 548 HD3 PRO 70 HD2 PRO 70 5.861 10.436 -9.842 549 HA PRO 71 HA PRO 71 8.143 6.427 -15.074 550 HB2 PRO 71 HB1 PRO 71 9.434 7.679 -17.194 551 HB3 PRO 71 HB2 PRO 71 7.755 7.062 -17.168 552 HG2 PRO 71 HG1 PRO 71 8.730 9.878 -16.828 553 HG3 PRO 71 HG2 PRO 71 7.233 9.287 -17.647 554 HD2 PRO 71 HD1 PRO 71 7.264 10.372 -15.120 555 HD3 PRO 71 HD2 PRO 71 6.080 9.152 -15.638 556 H LYS 72 H LYS 72 10.053 5.440 -14.826 557 HA LYS 72 HA LYS 72 12.117 4.945 -14.139 558 HB2 LYS 72 HB1 LYS 72 12.952 7.832 -14.360 559 HB3 LYS 72 HB2 LYS 72 13.968 6.379 -14.461 560 HG2 LYS 72 HG1 LYS 72 11.930 7.347 -16.495 561 HG3 LYS 72 HG2 LYS 72 13.696 7.375 -16.636 562 HD2 LYS 72 HD1 LYS 72 13.755 4.929 -16.780 563 HD3 LYS 72 HD2 LYS 72 12.003 4.838 -16.446 564 HE2 LYS 72 HE1 LYS 72 11.581 6.208 -18.479 565 HE3 LYS 72 HE2 LYS 72 13.288 6.128 -18.897 566 HZ1 LYS 72 HZ1 LYS 72 13.048 3.737 -19.124 567 HZ2 LYS 72 HZ2 LYS 72 11.873 4.481 -20.006 568 HZ3 LYS 72 HZ3 LYS 72 11.496 3.782 -18.577 569 H GLY 73 H GLY 73 10.151 6.964 -12.369 570 HA2 GLY 73 HA3 GLY 73 11.820 7.165 -9.975 571 HA3 GLY 73 HA2 GLY 73 10.145 7.725 -10.182 572 H ARG 74 H ARG 74 10.166 6.826 -8.052 573 HA ARG 74 HA ARG 74 8.727 4.372 -7.878 574 HB2 ARG 74 HB1 ARG 74 10.106 3.043 -6.445 575 HB3 ARG 74 HB2 ARG 74 11.078 3.447 -7.866 576 HG2 ARG 74 HG1 ARG 74 12.261 5.182 -6.552 577 HG3 ARG 74 HG2 ARG 74 11.249 4.820 -5.130 578 HD2 ARG 74 HD1 ARG 74 13.420 3.785 -4.863 579 HD3 ARG 74 HD2 ARG 74 12.175 2.545 -5.025 580 HE ARG 74 HE ARG 74 14.014 3.419 -7.211 581 HH11 ARG 74 HH12 ARG 74 12.626 0.445 -5.646 582 HH12 ARG 74 HH11 ARG 74 12.417 -0.222 -7.243 583 HH21 ARG 74 HH22 ARG 74 14.020 2.104 -9.057 584 HH22 ARG 74 HH21 ARG 74 13.324 0.496 -8.913 585 H VAL 75 H VAL 75 7.870 3.926 -5.765 586 HA VAL 75 HA VAL 75 8.321 5.928 -3.624 587 HB VAL 75 HB VAL 75 5.891 6.140 -3.141 588 HG11 VAL 75 HG11 VAL 75 5.395 7.867 -4.758 589 HG12 VAL 75 HG12 VAL 75 7.123 7.923 -4.371 590 HG13 VAL 75 HG13 VAL 75 6.574 7.211 -5.908 591 HG21 VAL 75 HG21 VAL 75 4.259 5.756 -5.061 592 HG22 VAL 75 HG22 VAL 75 5.517 4.757 -5.829 593 HG23 VAL 75 HG23 VAL 75 4.827 4.298 -4.259 594 H GLU 76 H GLU 76 8.579 4.888 -1.681 595 HA GLU 76 HA GLU 76 7.452 2.165 -1.398 596 HB2 GLU 76 HB1 GLU 76 8.626 3.062 1.023 597 HB3 GLU 76 HB2 GLU 76 8.986 1.648 0.022 598 HG2 GLU 76 HG1 GLU 76 11.043 2.757 0.235 599 HG3 GLU 76 HG2 GLU 76 10.500 3.285 -1.356 600 H LEU 77 H LEU 77 5.565 1.860 -0.699 601 HA LEU 77 HA LEU 77 3.911 3.761 0.729 602 HB2 LEU 77 HB1 LEU 77 3.667 0.836 -0.026 603 HB3 LEU 77 HB2 LEU 77 2.478 1.651 1.031 604 HG LEU 77 HG LEU 77 2.258 3.368 -0.907 605 HD11 LEU 77 HD11 LEU 77 4.118 2.593 -2.347 606 HD12 LEU 77 HD12 LEU 77 2.568 2.410 -3.167 607 HD13 LEU 77 HD13 LEU 77 3.363 0.987 -2.468 608 HD21 LEU 77 HD21 LEU 77 1.173 0.530 -1.080 609 HD22 LEU 77 HD22 LEU 77 0.524 1.922 -1.969 610 HD23 LEU 77 HD23 LEU 77 0.458 1.900 -0.202 611 H LYS 78 H LYS 78 5.680 4.207 2.222 612 HA LYS 78 HA LYS 78 6.200 2.441 4.446 613 HB2 LYS 78 HB1 LYS 78 7.344 4.423 5.375 614 HB3 LYS 78 HB2 LYS 78 7.795 4.143 3.678 615 HG2 LYS 78 HG1 LYS 78 6.092 5.902 3.030 616 HG3 LYS 78 HG2 LYS 78 5.861 6.209 4.776 617 HD2 LYS 78 HD1 LYS 78 7.284 7.903 3.808 618 HD3 LYS 78 HD2 LYS 78 8.173 6.928 4.995 619 HE2 LYS 78 HE1 LYS 78 9.531 7.428 3.011 620 HE3 LYS 78 HE2 LYS 78 9.273 5.681 3.180 621 HZ1 LYS 78 HZ1 LYS 78 9.037 6.317 0.948 622 HZ2 LYS 78 HZ2 LYS 78 7.904 7.467 1.248 623 HZ3 LYS 78 HZ3 LYS 78 7.574 5.848 1.439 624 HA PRO 79 HA PRO 79 2.438 2.795 6.650 625 HB2 PRO 79 HB1 PRO 79 3.312 3.094 9.321 626 HB3 PRO 79 HB2 PRO 79 3.048 1.565 8.447 627 HG2 PRO 79 HG1 PRO 79 5.616 3.074 8.871 628 HG3 PRO 79 HG2 PRO 79 5.347 1.296 8.882 629 HD2 PRO 79 HD1 PRO 79 6.449 2.549 6.741 630 HD3 PRO 79 HD2 PRO 79 5.280 1.217 6.510 631 H GLY 80 H GLY 80 4.708 5.118 8.258 632 HA2 GLY 80 HA3 GLY 80 2.725 7.285 8.153 633 HA3 GLY 80 HA2 GLY 80 4.393 7.377 8.763 634 H GLY 81 H GLY 81 2.426 7.137 5.866 635 HA2 GLY 81 HA3 GLY 81 3.705 9.009 4.203 636 HA3 GLY 81 HA2 GLY 81 4.432 7.424 3.852 637 H TYR 82 H TYR 82 2.946 5.655 3.327 638 HA TYR 82 HA TYR 82 0.210 6.155 2.493 639 HB2 TYR 82 HB1 TYR 82 2.222 5.347 0.378 640 HB3 TYR 82 HB2 TYR 82 0.470 5.498 0.178 641 HD1 TYR 82 HD2 TYR 82 -0.601 7.779 0.200 642 HD2 TYR 82 HD1 TYR 82 3.675 7.220 0.301 643 HE1 TYR 82 HE2 TYR 82 -0.280 10.176 -0.382 644 HE2 TYR 82 HE1 TYR 82 4.019 9.603 -0.211 645 HH TYR 82 HH TYR 82 2.995 11.581 -0.815 646 H HIS 83 H HIS 83 -0.915 4.114 2.304 647 HA HIS 83 HA HIS 83 0.598 1.604 2.322 648 HB2 HIS 83 HB1 HIS 83 -0.326 0.891 4.538 649 HB3 HIS 83 HB2 HIS 83 0.956 2.112 4.629 650 HD1 HIS 83 HD1 HIS 83 0.296 4.454 5.743 651 HD2 HIS 83 HD2 HIS 83 -2.910 1.735 5.220 652 HE1 HIS 83 HE1 HIS 83 -1.741 5.485 6.841 653 H PHE 84 H PHE 84 -0.791 -0.235 2.172 654 HA PHE 84 HA PHE 84 -3.579 0.405 1.306 655 HB2 PHE 84 HB1 PHE 84 -1.833 -2.031 0.980 656 HB3 PHE 84 HB2 PHE 84 -3.581 -2.054 0.710 657 HD1 PHE 84 HD1 PHE 84 -4.470 -0.212 -1.011 658 HD2 PHE 84 HD2 PHE 84 -0.425 -1.696 -0.838 659 HE1 PHE 84 HE1 PHE 84 -4.215 0.180 -3.451 660 HE2 PHE 84 HE2 PHE 84 -0.145 -1.192 -3.256 661 HZ PHE 84 HZ PHE 84 -2.050 -0.251 -4.554 662 H MET 85 H MET 85 -4.751 0.562 3.079 663 HA MET 85 HA MET 85 -4.314 -0.981 5.527 664 HB2 MET 85 HB1 MET 85 -5.490 1.351 5.208 665 HB3 MET 85 HB2 MET 85 -6.923 0.368 4.808 666 HG2 MET 85 HG1 MET 85 -7.302 0.391 6.996 667 HG3 MET 85 HG2 MET 85 -6.103 -0.883 7.084 668 HE1 MET 85 HE1 MET 85 -3.329 0.366 6.834 669 HE2 MET 85 HE2 MET 85 -2.958 0.942 8.463 670 HE3 MET 85 HE3 MET 85 -3.733 -0.648 8.249 671 H LEU 86 H LEU 86 -5.092 -2.937 5.996 672 HA LEU 86 HA LEU 86 -6.753 -4.392 3.966 673 HB2 LEU 86 HB1 LEU 86 -4.685 -5.450 5.928 674 HB3 LEU 86 HB2 LEU 86 -5.538 -6.393 4.706 675 HG LEU 86 HG LEU 86 -3.370 -4.304 4.295 676 HD11 LEU 86 HD11 LEU 86 -2.125 -6.217 3.360 677 HD12 LEU 86 HD12 LEU 86 -3.497 -7.284 3.703 678 HD13 LEU 86 HD13 LEU 86 -2.609 -6.514 5.036 679 HD21 LEU 86 HD21 LEU 86 -4.968 -4.037 2.452 680 HD22 LEU 86 HD22 LEU 86 -4.939 -5.784 2.136 681 HD23 LEU 86 HD23 LEU 86 -3.485 -4.798 1.872 682 H LEU 87 H LEU 87 -8.755 -4.926 4.726 683 HA LEU 87 HA LEU 87 -9.153 -5.268 7.683 684 HB2 LEU 87 HB1 LEU 87 -11.040 -4.154 5.578 685 HB3 LEU 87 HB2 LEU 87 -11.417 -4.378 7.303 686 HG LEU 87 HG LEU 87 -11.167 -2.088 6.923 687 HD11 LEU 87 HD11 LEU 87 -10.111 -2.864 9.019 688 HD12 LEU 87 HD12 LEU 87 -9.334 -1.398 8.374 689 HD13 LEU 87 HD13 LEU 87 -8.542 -2.965 8.182 690 HD21 LEU 87 HD21 LEU 87 -9.794 -2.243 4.784 691 HD22 LEU 87 HD22 LEU 87 -8.360 -2.331 5.840 692 HD23 LEU 87 HD23 LEU 87 -9.405 -0.915 5.893 693 H GLY 88 H GLY 88 -10.717 -6.805 8.352 694 HA2 GLY 88 HA3 GLY 88 -12.296 -8.528 8.139 695 HA3 GLY 88 HA2 GLY 88 -12.027 -8.574 6.382 696 H LEU 89 H LEU 89 -9.722 -9.173 5.844 697 HA LEU 89 HA LEU 89 -7.899 -10.410 5.731 698 HB2 LEU 89 HB1 LEU 89 -8.167 -10.680 8.708 699 HB3 LEU 89 HB2 LEU 89 -6.707 -10.989 7.745 700 HG LEU 89 HG LEU 89 -8.082 -8.297 8.154 701 HD11 LEU 89 HD11 LEU 89 -5.489 -9.508 9.180 702 HD12 LEU 89 HD12 LEU 89 -6.948 -9.135 10.110 703 HD13 LEU 89 HD13 LEU 89 -5.984 -7.817 9.421 704 HD21 LEU 89 HD21 LEU 89 -5.547 -8.959 6.598 705 HD22 LEU 89 HD22 LEU 89 -6.050 -7.330 7.081 706 HD23 LEU 89 HD23 LEU 89 -7.046 -8.247 5.950 707 H LYS 90 H LYS 90 -7.872 -12.197 4.618 708 HA LYS 90 HA LYS 90 -9.309 -14.596 5.610 709 HB2 LYS 90 HB1 LYS 90 -7.828 -14.308 2.989 710 HB3 LYS 90 HB2 LYS 90 -9.055 -15.518 3.446 711 HG2 LYS 90 HG1 LYS 90 -10.697 -13.580 3.659 712 HG3 LYS 90 HG2 LYS 90 -9.473 -12.544 2.901 713 HD2 LYS 90 HD1 LYS 90 -9.480 -14.001 0.892 714 HD3 LYS 90 HD2 LYS 90 -10.683 -15.064 1.694 715 HE2 LYS 90 HE1 LYS 90 -12.060 -13.767 0.384 716 HE3 LYS 90 HE2 LYS 90 -12.088 -12.882 1.928 717 HZ1 LYS 90 HZ1 LYS 90 -10.448 -11.362 0.976 718 HZ2 LYS 90 HZ2 LYS 90 -11.863 -11.376 0.175 719 HZ3 LYS 90 HZ3 LYS 90 -10.544 -12.125 -0.478 720 H ARG 91 H ARG 91 -6.266 -13.410 6.103 721 HA ARG 91 HA ARG 91 -5.282 -16.048 7.009 722 HB2 ARG 91 HB1 ARG 91 -3.657 -13.983 5.468 723 HB3 ARG 91 HB2 ARG 91 -2.927 -15.301 6.403 724 HG2 ARG 91 HG1 ARG 91 -4.742 -15.629 3.991 725 HG3 ARG 91 HG2 ARG 91 -2.966 -15.756 3.980 726 HD2 ARG 91 HD1 ARG 91 -4.849 -17.576 5.527 727 HD3 ARG 91 HD2 ARG 91 -4.067 -17.954 3.968 728 HE ARG 91 HE ARG 91 -1.884 -17.413 5.430 729 HH11 ARG 91 HH12 ARG 91 -4.654 -19.405 6.393 730 HH12 ARG 91 HH11 ARG 91 -3.647 -20.496 7.305 731 HH21 ARG 91 HH22 ARG 91 -0.677 -18.819 6.497 732 HH22 ARG 91 HH21 ARG 91 -1.360 -20.152 7.376 733 HA PRO 92 HA PRO 92 -4.108 -13.179 10.414 734 HB2 PRO 92 HB1 PRO 92 -2.845 -14.953 12.039 735 HB3 PRO 92 HB2 PRO 92 -4.630 -14.864 11.946 736 HG2 PRO 92 HG1 PRO 92 -2.775 -16.814 10.564 737 HG3 PRO 92 HG2 PRO 92 -4.329 -17.158 11.404 738 HD2 PRO 92 HD1 PRO 92 -4.064 -16.855 8.652 739 HD3 PRO 92 HD2 PRO 92 -5.568 -16.484 9.540 740 H LEU 93 H LEU 93 -2.269 -11.990 10.275 741 HA LEU 93 HA LEU 93 -0.336 -12.772 8.237 742 HB2 LEU 93 HB1 LEU 93 -0.688 -10.273 9.927 743 HB3 LEU 93 HB2 LEU 93 0.530 -10.460 8.638 744 HG LEU 93 HG LEU 93 -1.079 -9.179 7.660 745 HD11 LEU 93 HD11 LEU 93 -2.144 -10.453 5.905 746 HD12 LEU 93 HD12 LEU 93 -1.959 -11.963 6.809 747 HD13 LEU 93 HD13 LEU 93 -0.522 -11.100 6.205 748 HD21 LEU 93 HD21 LEU 93 -3.333 -10.915 8.711 749 HD22 LEU 93 HD22 LEU 93 -3.460 -9.413 7.787 750 HD23 LEU 93 HD23 LEU 93 -2.793 -9.384 9.428 751 H LYS 94 H LYS 94 0.676 -14.555 9.202 752 HA LYS 94 HA LYS 94 2.579 -13.903 11.395 753 HB2 LYS 94 HB1 LYS 94 2.722 -16.187 11.920 754 HB3 LYS 94 HB2 LYS 94 0.995 -15.775 11.737 755 HG2 LYS 94 HG1 LYS 94 1.049 -17.791 10.671 756 HG3 LYS 94 HG2 LYS 94 1.330 -16.717 9.302 757 HD2 LYS 94 HD1 LYS 94 3.916 -17.268 10.317 758 HD3 LYS 94 HD2 LYS 94 3.056 -18.811 10.495 759 HE2 LYS 94 HE1 LYS 94 2.448 -18.794 8.129 760 HE3 LYS 94 HE2 LYS 94 3.094 -17.125 7.982 761 HZ1 LYS 94 HZ1 LYS 94 5.273 -18.019 8.465 762 HZ2 LYS 94 HZ2 LYS 94 4.668 -18.598 7.080 763 HZ3 LYS 94 HZ3 LYS 94 4.684 -19.570 8.417 764 H ALA 95 H ALA 95 4.772 -14.152 11.191 765 HA ALA 95 HA ALA 95 5.806 -13.327 8.753 766 HB1 ALA 95 HB1 ALA 95 7.987 -13.476 9.844 767 HB2 ALA 95 HB2 ALA 95 6.784 -12.850 10.982 768 HB3 ALA 95 HB3 ALA 95 7.318 -14.550 11.095 769 H GLY 96 H GLY 96 7.107 -14.024 7.162 770 HA2 GLY 96 HA3 GLY 96 7.796 -15.517 5.546 771 HA3 GLY 96 HA2 GLY 96 7.858 -16.776 6.800 772 H GLU 97 H GLU 97 5.173 -14.875 5.366 773 HA GLU 97 HA GLU 97 4.339 -17.269 3.850 774 HB2 GLU 97 HB1 GLU 97 2.502 -14.919 4.424 775 HB3 GLU 97 HB2 GLU 97 2.138 -16.446 3.596 776 HG2 GLU 97 HG1 GLU 97 3.051 -17.269 6.054 777 HG3 GLU 97 HG2 GLU 97 2.167 -15.800 6.456 778 H GLU 98 H GLU 98 3.157 -16.079 1.769 779 HA GLU 98 HA GLU 98 4.697 -13.662 1.026 780 HB2 GLU 98 HB1 GLU 98 4.748 -14.353 -1.312 781 HB3 GLU 98 HB2 GLU 98 5.789 -15.329 -0.261 782 HG2 GLU 98 HG1 GLU 98 4.210 -17.187 -0.366 783 HG3 GLU 98 HG2 GLU 98 3.049 -16.220 -1.290 784 H VAL 99 H VAL 99 3.355 -12.065 0.811 785 HA VAL 99 HA VAL 99 0.503 -12.558 0.019 786 HB VAL 99 HB VAL 99 1.907 -10.036 0.955 787 HG11 VAL 99 HG11 VAL 99 -0.525 -9.099 0.824 788 HG12 VAL 99 HG12 VAL 99 0.334 -9.232 -0.712 789 HG13 VAL 99 HG13 VAL 99 -0.859 -10.462 -0.253 790 HG21 VAL 99 HG21 VAL 99 1.202 -11.787 2.642 791 HG22 VAL 99 HG22 VAL 99 0.342 -10.251 2.832 792 HG23 VAL 99 HG23 VAL 99 -0.445 -11.630 2.038 793 H GLU 100 H GLU 100 0.529 -13.123 -2.022 794 HA GLU 100 HA GLU 100 1.721 -11.421 -4.095 795 HB2 GLU 100 HB1 GLU 100 0.533 -12.780 -5.691 796 HB3 GLU 100 HB2 GLU 100 1.462 -13.772 -4.547 797 HG2 GLU 100 HG1 GLU 100 -0.361 -15.000 -4.202 798 HG3 GLU 100 HG2 GLU 100 -1.172 -13.614 -3.476 799 H LEU 101 H LEU 101 0.725 -9.861 -5.303 800 HA LEU 101 HA LEU 101 -1.996 -9.000 -4.646 801 HB2 LEU 101 HB1 LEU 101 -1.510 -7.844 -2.942 802 HB3 LEU 101 HB2 LEU 101 0.220 -8.206 -3.115 803 HG LEU 101 HG LEU 101 0.614 -6.146 -4.229 804 HD11 LEU 101 HD11 LEU 101 -1.382 -4.421 -4.117 805 HD12 LEU 101 HD12 LEU 101 -2.386 -5.885 -4.256 806 HD13 LEU 101 HD13 LEU 101 -1.200 -5.463 -5.519 807 HD21 LEU 101 HD21 LEU 101 0.071 -4.686 -2.299 808 HD22 LEU 101 HD22 LEU 101 0.532 -6.303 -1.738 809 HD23 LEU 101 HD23 LEU 101 -1.180 -5.847 -1.776 810 H ASP 102 H ASP 102 -2.970 -7.806 -6.033 811 HA ASP 102 HA ASP 102 -1.591 -7.305 -8.656 812 HB2 ASP 102 HB1 ASP 102 -4.411 -7.943 -7.852 813 HB3 ASP 102 HB2 ASP 102 -4.100 -7.036 -9.337 814 H LEU 103 H LEU 103 -1.066 -5.286 -9.069 815 HA LEU 103 HA LEU 103 -2.223 -3.049 -7.497 816 HB2 LEU 103 HB1 LEU 103 0.167 -3.314 -9.359 817 HB3 LEU 103 HB2 LEU 103 -0.294 -1.806 -8.560 818 HG LEU 103 HG LEU 103 0.517 -4.371 -7.120 819 HD11 LEU 103 HD11 LEU 103 2.082 -1.826 -7.702 820 HD12 LEU 103 HD12 LEU 103 2.373 -3.418 -8.432 821 HD13 LEU 103 HD13 LEU 103 2.654 -3.172 -6.698 822 HD21 LEU 103 HD21 LEU 103 0.687 -3.001 -5.117 823 HD22 LEU 103 HD22 LEU 103 -0.943 -2.803 -5.765 824 HD23 LEU 103 HD23 LEU 103 0.268 -1.532 -6.020 825 H LEU 104 H LEU 104 -3.793 -1.856 -8.299 826 HA LEU 104 HA LEU 104 -4.568 -2.166 -11.142 827 HB2 LEU 104 HB1 LEU 104 -6.039 -0.673 -8.959 828 HB3 LEU 104 HB2 LEU 104 -6.685 -1.292 -10.487 829 HG LEU 104 HG LEU 104 -5.883 -2.850 -8.069 830 HD11 LEU 104 HD11 LEU 104 -8.049 -1.692 -7.918 831 HD12 LEU 104 HD12 LEU 104 -8.257 -3.451 -7.937 832 HD13 LEU 104 HD13 LEU 104 -8.589 -2.502 -9.404 833 HD21 LEU 104 HD21 LEU 104 -6.863 -3.939 -10.742 834 HD22 LEU 104 HD22 LEU 104 -6.734 -4.890 -9.246 835 HD23 LEU 104 HD23 LEU 104 -5.277 -4.232 -9.992 836 H PHE 105 H PHE 105 -4.135 -0.678 -12.639 837 HA PHE 105 HA PHE 105 -3.367 2.064 -11.760 838 HB2 PHE 105 HB1 PHE 105 -2.402 0.377 -14.069 839 HB3 PHE 105 HB2 PHE 105 -1.964 2.058 -13.891 840 HD1 PHE 105 HD1 PHE 105 -0.511 2.730 -11.918 841 HD2 PHE 105 HD2 PHE 105 -1.297 -1.373 -12.954 842 HE1 PHE 105 HE1 PHE 105 1.513 2.038 -10.676 843 HE2 PHE 105 HE2 PHE 105 0.695 -2.085 -11.630 844 HZ PHE 105 HZ PHE 105 2.099 -0.378 -10.491 845 H ALA 106 H ALA 106 -4.468 3.667 -12.545 846 HA ALA 106 HA ALA 106 -6.059 4.926 -13.649 847 HB1 ALA 106 HB1 ALA 106 -5.360 5.276 -15.968 848 HB2 ALA 106 HB2 ALA 106 -3.926 5.007 -14.953 849 HB3 ALA 106 HB3 ALA 106 -4.545 3.704 -15.997 850 H GLY 107 H GLY 107 -7.037 2.103 -13.192 851 HA2 GLY 107 HA3 GLY 107 -8.963 0.883 -13.674 852 HA3 GLY 107 HA2 GLY 107 -9.340 1.992 -15.012 853 H GLY 108 H GLY 108 -7.423 1.908 -16.747 854 HA2 GLY 108 HA3 GLY 108 -7.987 -0.544 -18.049 855 HA3 GLY 108 HA2 GLY 108 -6.987 0.784 -18.680 856 H LYS 109 H LYS 109 -5.440 -0.255 -15.879 857 HA LYS 109 HA LYS 109 -4.047 -2.529 -17.200 858 HB2 LYS 109 HB1 LYS 109 -3.003 0.066 -17.035 859 HB3 LYS 109 HB2 LYS 109 -2.234 -0.778 -15.683 860 HG2 LYS 109 HG1 LYS 109 -2.125 -1.899 -18.468 861 HG3 LYS 109 HG2 LYS 109 -0.979 -0.660 -17.837 862 HD2 LYS 109 HD1 LYS 109 -0.415 -2.168 -15.964 863 HD3 LYS 109 HD2 LYS 109 -1.427 -3.434 -16.654 864 HE2 LYS 109 HE1 LYS 109 0.822 -2.136 -18.232 865 HE3 LYS 109 HE2 LYS 109 1.120 -3.487 -17.109 866 HZ1 LYS 109 HZ1 LYS 109 -0.380 -4.826 -18.421 867 HZ2 LYS 109 HZ2 LYS 109 0.781 -4.205 -19.398 868 HZ3 LYS 109 HZ3 LYS 109 -0.729 -3.562 -19.424 869 H VAL 110 H VAL 110 -3.440 -4.162 -15.792 870 HA VAL 110 HA VAL 110 -2.962 -3.491 -12.981 871 HB VAL 110 HB VAL 110 -5.120 -4.451 -12.878 872 HG11 VAL 110 HG11 VAL 110 -4.131 -6.730 -14.629 873 HG12 VAL 110 HG12 VAL 110 -5.709 -6.671 -13.810 874 HG13 VAL 110 HG13 VAL 110 -5.327 -5.481 -15.055 875 HG21 VAL 110 HG21 VAL 110 -3.251 -6.756 -12.187 876 HG22 VAL 110 HG22 VAL 110 -3.504 -5.324 -11.167 877 HG23 VAL 110 HG23 VAL 110 -4.852 -6.420 -11.510 878 H LEU 111 H LEU 111 -1.362 -4.706 -11.983 879 HA LEU 111 HA LEU 111 0.176 -6.742 -13.488 880 HB2 LEU 111 HB1 LEU 111 1.278 -4.123 -12.381 881 HB3 LEU 111 HB2 LEU 111 2.312 -5.515 -12.728 882 HG LEU 111 HG LEU 111 0.639 -4.013 -14.781 883 HD11 LEU 111 HD11 LEU 111 3.624 -3.876 -14.208 884 HD12 LEU 111 HD12 LEU 111 2.429 -2.605 -13.866 885 HD13 LEU 111 HD13 LEU 111 2.779 -3.060 -15.542 886 HD21 LEU 111 HD21 LEU 111 2.771 -6.177 -15.102 887 HD22 LEU 111 HD22 LEU 111 2.075 -5.242 -16.436 888 HD23 LEU 111 HD23 LEU 111 1.049 -6.333 -15.499 889 H LYS 112 H LYS 112 0.769 -8.379 -12.120 890 HA LYS 112 HA LYS 112 0.187 -8.039 -9.284 891 HB2 LYS 112 HB1 LYS 112 -0.346 -10.082 -10.834 892 HB3 LYS 112 HB2 LYS 112 1.304 -10.586 -10.460 893 HG2 LYS 112 HG1 LYS 112 0.818 -10.673 -8.093 894 HG3 LYS 112 HG2 LYS 112 -0.730 -9.803 -8.322 895 HD2 LYS 112 HD1 LYS 112 -1.220 -12.084 -7.867 896 HD3 LYS 112 HD2 LYS 112 -1.652 -11.713 -9.544 897 HE2 LYS 112 HE1 LYS 112 0.395 -12.845 -10.329 898 HE3 LYS 112 HE2 LYS 112 0.939 -13.059 -8.640 899 HZ1 LYS 112 HZ1 LYS 112 -1.500 -14.268 -9.799 900 HZ2 LYS 112 HZ2 LYS 112 -0.992 -14.420 -8.253 901 HZ3 LYS 112 HZ3 LYS 112 -0.094 -15.081 -9.440 902 H VAL 113 H VAL 113 1.572 -8.070 -7.566 903 HA VAL 113 HA VAL 113 4.504 -8.487 -8.005 904 HB VAL 113 HB VAL 113 4.957 -6.833 -6.231 905 HG11 VAL 113 HG11 VAL 113 5.169 -6.167 -8.589 906 HG12 VAL 113 HG12 VAL 113 3.470 -5.646 -8.613 907 HG13 VAL 113 HG13 VAL 113 4.642 -4.804 -7.586 908 HG21 VAL 113 HG21 VAL 113 2.787 -6.821 -5.066 909 HG22 VAL 113 HG22 VAL 113 3.268 -5.193 -5.554 910 HG23 VAL 113 HG23 VAL 113 2.024 -6.045 -6.473 911 H VAL 114 H VAL 114 5.495 -8.805 -5.576 912 HA VAL 114 HA VAL 114 3.691 -10.263 -3.837 913 HB VAL 114 HB VAL 114 4.027 -11.981 -5.520 914 HG11 VAL 114 HG11 VAL 114 7.009 -11.867 -4.910 915 HG12 VAL 114 HG12 VAL 114 6.184 -13.036 -5.956 916 HG13 VAL 114 HG13 VAL 114 6.229 -11.333 -6.421 917 HG21 VAL 114 HG21 VAL 114 3.780 -12.627 -3.128 918 HG22 VAL 114 HG22 VAL 114 4.680 -13.808 -4.089 919 HG23 VAL 114 HG23 VAL 114 5.550 -12.721 -2.993 920 H LEU 115 H LEU 115 4.433 -10.516 -1.803 921 HA LEU 115 HA LEU 115 7.169 -9.798 -1.042 922 HB2 LEU 115 HB1 LEU 115 6.428 -7.835 0.264 923 HB3 LEU 115 HB2 LEU 115 6.427 -7.612 -1.487 924 HG LEU 115 HG LEU 115 3.832 -8.406 -0.132 925 HD11 LEU 115 HD11 LEU 115 5.177 -5.694 0.016 926 HD12 LEU 115 HD12 LEU 115 4.710 -6.754 1.357 927 HD13 LEU 115 HD13 LEU 115 3.451 -5.972 0.388 928 HD21 LEU 115 HD21 LEU 115 4.530 -6.458 -2.384 929 HD22 LEU 115 HD22 LEU 115 2.893 -6.772 -1.773 930 HD23 LEU 115 HD23 LEU 115 3.781 -8.058 -2.585 931 HA PRO 116 HA PRO 116 5.995 -12.181 2.508 932 HB2 PRO 116 HB1 PRO 116 8.040 -11.789 4.196 933 HB3 PRO 116 HB2 PRO 116 8.300 -12.480 2.562 934 HG2 PRO 116 HG1 PRO 116 8.556 -9.555 3.359 935 HG3 PRO 116 HG2 PRO 116 9.816 -10.583 2.591 936 HD2 PRO 116 HD1 PRO 116 8.169 -9.029 1.087 937 HD3 PRO 116 HD2 PRO 116 8.617 -10.677 0.553 938 H VAL 117 H VAL 117 6.266 -11.638 5.284 939 HA VAL 117 HA VAL 117 4.180 -9.598 5.678 940 HB VAL 117 HB VAL 117 4.078 -12.567 6.400 941 HG11 VAL 117 HG11 VAL 117 2.965 -11.174 8.075 942 HG12 VAL 117 HG12 VAL 117 2.110 -10.292 6.795 943 HG13 VAL 117 HG13 VAL 117 1.764 -12.022 7.099 944 HG21 VAL 117 HG21 VAL 117 2.096 -12.605 4.856 945 HG22 VAL 117 HG22 VAL 117 2.558 -10.983 4.302 946 HG23 VAL 117 HG23 VAL 117 3.635 -12.369 4.029 947 H GLU 118 H GLU 118 5.770 -8.370 7.004 948 HA GLU 118 HA GLU 118 6.586 -9.712 9.555 949 HB2 GLU 118 HB1 GLU 118 8.333 -8.201 7.623 950 HB3 GLU 118 HB2 GLU 118 8.770 -8.450 9.342 951 HG2 GLU 118 HG1 GLU 118 9.874 -10.157 8.188 952 HG3 GLU 118 HG2 GLU 118 8.502 -10.930 8.984 953 H ALA 119 H ALA 119 7.696 -8.048 11.070 954 HA ALA 119 HA ALA 119 5.367 -6.496 11.891 955 HB1 ALA 119 HB1 ALA 119 6.490 -6.496 14.080 956 HB2 ALA 119 HB2 ALA 119 6.497 -8.134 13.395 957 HB3 ALA 119 HB3 ALA 119 7.971 -7.140 13.348 958 H ARG 120 H ARG 120 5.201 -4.372 12.324 959 HA ARG 120 HA ARG 120 7.321 -2.580 12.739 960 HB2 ARG 120 HB1 ARG 120 6.552 -2.914 9.967 961 HB3 ARG 120 HB2 ARG 120 6.139 -1.273 10.464 962 HG2 ARG 120 HG1 ARG 120 8.865 -2.429 11.104 963 HG3 ARG 120 HG2 ARG 120 8.522 -1.794 9.478 964 HD2 ARG 120 HD1 ARG 120 9.655 -0.143 10.976 965 HD3 ARG 120 HD2 ARG 120 8.079 0.406 10.341 966 HE ARG 120 HE ARG 120 7.080 -0.022 12.480 967 HH11 ARG 120 HH12 ARG 120 10.541 -0.411 12.790 968 HH12 ARG 120 HH11 ARG 120 10.391 -0.676 14.511 969 HH21 ARG 120 HH22 ARG 120 6.952 -0.427 14.414 970 HH22 ARG 120 HH21 ARG 120 8.341 -0.646 15.480 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 15.875 -2.723 2.191 2 H2 GLY 1 2H GLY 1 14.782 -3.945 1.862 3 H3 GLY 1 3H GLY 1 15.766 -3.399 0.689 4 HA2 GLY 1 HA3 GLY 1 16.732 -4.734 3.118 5 HA3 GLY 1 HA2 GLY 1 16.434 -5.553 1.568 6 H SER 2 H SER 2 17.788 -5.170 -0.185 7 HA SER 2 HA SER 2 20.319 -3.631 0.315 8 HB2 SER 2 HB1 SER 2 19.478 -5.457 -1.950 9 HB3 SER 2 HB2 SER 2 21.010 -4.553 -1.868 10 HG SER 2 HG SER 2 21.215 -6.714 -1.082 11 H PHE 3 H PHE 3 17.226 -3.483 -1.264 12 HA PHE 3 HA PHE 3 17.841 -0.803 -2.419 13 HB2 PHE 3 HB1 PHE 3 16.123 -3.074 -3.502 14 HB3 PHE 3 HB2 PHE 3 16.300 -1.490 -4.262 15 HD1 PHE 3 HD2 PHE 3 18.065 -4.662 -3.436 16 HD2 PHE 3 HD1 PHE 3 18.220 -0.952 -5.621 17 HE1 PHE 3 HE2 PHE 3 20.006 -5.511 -4.743 18 HE2 PHE 3 HE1 PHE 3 20.163 -1.794 -6.911 19 HZ PHE 3 HZ PHE 3 21.058 -4.071 -6.478 20 H THR 4 H THR 4 15.565 0.169 -3.041 21 HA THR 4 HA THR 4 13.663 0.303 -0.829 22 HB THR 4 HB THR 4 12.319 1.552 -2.577 23 HG1 THR 4 HG1 THR 4 13.392 0.453 -4.308 24 HG21 THR 4 HG21 THR 4 13.818 2.742 -1.005 25 HG22 THR 4 HG22 THR 4 13.751 3.520 -2.585 26 HG23 THR 4 HG23 THR 4 15.173 2.550 -2.148 27 H GLU 5 H GLU 5 12.276 -1.261 -0.438 28 HA GLU 5 HA GLU 5 11.429 -3.251 -2.491 29 HB2 GLU 5 HB1 GLU 5 12.799 -3.729 0.176 30 HB3 GLU 5 HB2 GLU 5 11.882 -4.999 -0.658 31 HG2 GLU 5 HG1 GLU 5 13.439 -5.191 -2.385 32 HG3 GLU 5 HG2 GLU 5 14.117 -3.571 -2.118 33 H GLY 6 H GLY 6 9.695 -4.845 -1.038 34 HA2 GLY 6 HA3 GLY 6 7.951 -2.950 0.453 35 HA3 GLY 6 HA2 GLY 6 7.287 -3.953 -0.857 36 H TRP 7 H TRP 7 6.194 -4.096 1.659 37 HA TRP 7 HA TRP 7 6.402 -6.876 2.324 38 HB2 TRP 7 HB1 TRP 7 7.239 -6.769 4.551 39 HB3 TRP 7 HB2 TRP 7 8.456 -6.077 3.488 40 HD1 TRP 7 HD TRP 7 6.238 -5.300 6.416 41 HE1 TRP 7 HE1 TRP 7 6.742 -2.979 7.370 42 HE3 TRP 7 3HE TRP 7 9.389 -3.618 2.755 43 HZ2 TRP 7 HZ2 TRP 7 8.358 -0.687 6.644 44 HZ3 TRP 7 HZ3 TRP 7 10.362 -1.342 2.883 45 HH2 TRP 7 HH TRP 7 9.876 0.126 4.829 46 H VAL 8 H VAL 8 4.937 -7.466 4.153 47 HA VAL 8 HA VAL 8 2.687 -5.477 4.464 48 HB VAL 8 HB VAL 8 2.386 -8.447 3.881 49 HG11 VAL 8 HG11 VAL 8 0.560 -7.729 5.292 50 HG12 VAL 8 HG12 VAL 8 0.357 -6.219 4.380 51 HG13 VAL 8 HG13 VAL 8 -0.070 -7.766 3.644 52 HG21 VAL 8 HG21 VAL 8 2.032 -5.956 2.163 53 HG22 VAL 8 HG22 VAL 8 3.050 -7.368 1.840 54 HG23 VAL 8 HG23 VAL 8 1.294 -7.510 1.744 55 H ARG 9 H ARG 9 1.750 -5.292 6.441 56 HA ARG 9 HA ARG 9 3.377 -6.472 8.543 57 HB2 ARG 9 HB1 ARG 9 2.790 -4.803 9.937 58 HB3 ARG 9 HB2 ARG 9 2.869 -4.038 8.348 59 HG2 ARG 9 HG1 ARG 9 0.270 -4.408 8.334 60 HG3 ARG 9 HG2 ARG 9 0.450 -4.660 10.083 61 HD2 ARG 9 HD1 ARG 9 1.363 -2.194 8.537 62 HD3 ARG 9 HD2 ARG 9 -0.111 -2.315 9.515 63 HE ARG 9 HE ARG 9 2.567 -2.829 10.752 64 HH11 ARG 9 HH12 ARG 9 -0.157 -0.579 10.633 65 HH12 ARG 9 HH11 ARG 9 0.269 0.093 12.186 66 HH21 ARG 9 HH22 ARG 9 3.043 -2.028 12.515 67 HH22 ARG 9 HH21 ARG 9 2.150 -0.734 13.311 68 H PHE 10 H PHE 10 2.937 -7.974 9.855 69 HA PHE 10 HA PHE 10 0.424 -9.395 10.003 70 HB2 PHE 10 HB1 PHE 10 2.377 -10.706 10.045 71 HB3 PHE 10 HB2 PHE 10 3.190 -9.623 11.189 72 HD1 PHE 10 HD2 PHE 10 -0.084 -11.525 11.336 73 HD2 PHE 10 HD1 PHE 10 3.787 -10.784 13.078 74 HE1 PHE 10 HE2 PHE 10 -0.673 -12.949 13.267 75 HE2 PHE 10 HE1 PHE 10 3.226 -12.289 14.955 76 HZ PHE 10 HZ PHE 10 0.972 -13.342 15.087 77 H SER 11 H SER 11 -1.100 -9.448 11.565 78 HA SER 11 HA SER 11 -0.500 -8.791 14.266 79 HB2 SER 11 HB1 SER 11 -2.045 -6.869 12.556 80 HB3 SER 11 HB2 SER 11 -2.665 -7.199 14.184 81 HG SER 11 HG SER 11 0.031 -6.502 13.596 82 HA PRO 12 HA PRO 12 -4.029 -11.608 14.546 83 HB2 PRO 12 HB1 PRO 12 -4.276 -11.862 17.211 84 HB3 PRO 12 HB2 PRO 12 -2.763 -12.364 16.392 85 HG2 PRO 12 HG1 PRO 12 -3.318 -9.733 17.800 86 HG3 PRO 12 HG2 PRO 12 -1.910 -10.831 18.027 87 HD2 PRO 12 HD1 PRO 12 -1.892 -8.636 16.332 88 HD3 PRO 12 HD2 PRO 12 -0.922 -10.109 16.042 89 H GLY 13 H GLY 13 -4.953 -9.399 13.513 90 HA2 GLY 13 HA3 GLY 13 -7.023 -8.249 15.333 91 HA3 GLY 13 HA2 GLY 13 -6.056 -7.245 14.230 92 HA PRO 14 HA PRO 14 -9.906 -8.610 11.898 93 HB2 PRO 14 HB1 PRO 14 -11.492 -6.428 12.076 94 HB3 PRO 14 HB2 PRO 14 -11.420 -7.627 13.402 95 HG2 PRO 14 HG1 PRO 14 -9.915 -5.004 13.191 96 HG3 PRO 14 HG2 PRO 14 -10.876 -5.615 14.583 97 HD2 PRO 14 HD1 PRO 14 -8.140 -5.903 14.398 98 HD3 PRO 14 HD2 PRO 14 -9.180 -7.109 15.207 99 H ASN 15 H ASN 15 -7.677 -5.943 11.975 100 HA ASN 15 HA ASN 15 -7.808 -5.569 9.059 101 HB2 ASN 15 HB1 ASN 15 -7.859 -3.211 9.231 102 HB3 ASN 15 HB2 ASN 15 -9.249 -3.880 10.104 103 HD21 ASN 15 HD21 ASN 15 -7.718 -1.220 10.266 104 HD22 ASN 15 HD22 ASN 15 -7.441 -1.087 11.996 105 H ALA 16 H ALA 16 -5.907 -4.657 8.158 106 HA ALA 16 HA ALA 16 -3.508 -4.158 9.736 107 HB1 ALA 16 HB1 ALA 16 -3.407 -6.600 9.706 108 HB2 ALA 16 HB2 ALA 16 -3.622 -6.623 7.938 109 HB3 ALA 16 HB3 ALA 16 -2.147 -5.955 8.661 110 H ALA 17 H ALA 17 -1.556 -4.052 7.898 111 HA ALA 17 HA ALA 17 -2.642 -2.456 5.667 112 HB1 ALA 17 HB1 ALA 17 -1.955 -0.983 7.672 113 HB2 ALA 17 HB2 ALA 17 -0.288 -1.444 7.278 114 HB3 ALA 17 HB3 ALA 17 -1.254 -0.588 6.089 115 H ALA 18 H ALA 18 -1.502 -2.489 3.772 116 HA ALA 18 HA ALA 18 1.027 -4.114 3.708 117 HB1 ALA 18 HB1 ALA 18 -0.729 -5.152 2.359 118 HB2 ALA 18 HB2 ALA 18 -1.002 -3.629 1.490 119 HB3 ALA 18 HB3 ALA 18 0.530 -4.476 1.306 120 H TYR 19 H TYR 19 2.839 -3.280 2.860 121 HA TYR 19 HA TYR 19 2.840 -0.471 1.838 122 HB2 TYR 19 HB1 TYR 19 5.170 -1.956 3.056 123 HB3 TYR 19 HB2 TYR 19 5.021 -0.228 2.830 124 HD1 TYR 19 HD2 TYR 19 2.988 0.879 4.318 125 HD2 TYR 19 HD1 TYR 19 4.963 -2.862 5.095 126 HE1 TYR 19 HE2 TYR 19 2.494 1.107 6.768 127 HE2 TYR 19 HE1 TYR 19 4.560 -2.605 7.518 128 HH TYR 19 HH TYR 19 3.896 -1.219 9.156 129 H LEU 20 H LEU 20 4.414 -0.094 0.102 130 HA LEU 20 HA LEU 20 6.237 -2.068 -0.665 131 HB2 LEU 20 HB1 LEU 20 5.603 -2.746 -2.873 132 HB3 LEU 20 HB2 LEU 20 4.428 -3.339 -1.726 133 HG LEU 20 HG LEU 20 3.973 -0.833 -3.400 134 HD11 LEU 20 HD11 LEU 20 4.455 -2.720 -4.901 135 HD12 LEU 20 HD12 LEU 20 2.760 -2.226 -4.980 136 HD13 LEU 20 HD13 LEU 20 3.212 -3.691 -4.080 137 HD21 LEU 20 HD21 LEU 20 1.582 -1.383 -3.052 138 HD22 LEU 20 HD22 LEU 20 2.382 -1.085 -1.513 139 HD23 LEU 20 HD23 LEU 20 2.037 -2.753 -2.014 140 H THR 21 H THR 21 7.781 -1.530 -2.036 141 HA THR 21 HA THR 21 7.914 1.149 -3.275 142 HB THR 21 HB THR 21 9.706 -1.321 -3.475 143 HG1 THR 21 HG1 THR 21 9.879 -0.369 -1.480 144 HG21 THR 21 HG21 THR 21 9.815 1.443 -4.694 145 HG22 THR 21 HG22 THR 21 10.060 -0.125 -5.492 146 HG23 THR 21 HG23 THR 21 11.300 0.499 -4.409 147 H LEU 22 H LEU 22 7.396 1.585 -5.387 148 HA LEU 22 HA LEU 22 7.339 -0.583 -7.356 149 HB2 LEU 22 HB1 LEU 22 5.050 -0.462 -6.437 150 HB3 LEU 22 HB2 LEU 22 4.956 1.248 -6.861 151 HG LEU 22 HG LEU 22 3.704 -0.380 -8.306 152 HD11 LEU 22 HD11 LEU 22 5.695 1.295 -9.869 153 HD12 LEU 22 HD12 LEU 22 4.265 1.928 -9.025 154 HD13 LEU 22 HD13 LEU 22 4.079 0.772 -10.359 155 HD21 LEU 22 HD21 LEU 22 4.837 -1.664 -10.014 156 HD22 LEU 22 HD22 LEU 22 5.434 -2.160 -8.421 157 HD23 LEU 22 HD23 LEU 22 6.425 -1.111 -9.459 158 H GLU 23 H GLU 23 8.259 0.116 -9.238 159 HA GLU 23 HA GLU 23 8.235 2.979 -9.849 160 HB2 GLU 23 HB1 GLU 23 10.537 3.226 -10.243 161 HB3 GLU 23 HB2 GLU 23 10.277 2.664 -8.576 162 HG2 GLU 23 HG1 GLU 23 11.064 0.431 -9.191 163 HG3 GLU 23 HG2 GLU 23 11.277 0.959 -10.876 164 H ASN 24 H ASN 24 8.689 3.557 -11.908 165 HA ASN 24 HA ASN 24 7.574 1.565 -13.801 166 HB2 ASN 24 HB1 ASN 24 6.348 3.621 -13.199 167 HB3 ASN 24 HB2 ASN 24 7.674 4.612 -13.821 168 HD21 ASN 24 HD21 ASN 24 5.338 5.164 -14.918 169 HD22 ASN 24 HD22 ASN 24 5.257 4.525 -16.554 170 HA PRO 25 HA PRO 25 11.690 2.089 -15.741 171 HB2 PRO 25 HB1 PRO 25 11.948 -0.363 -16.913 172 HB3 PRO 25 HB2 PRO 25 12.160 -0.142 -15.148 173 HG2 PRO 25 HG1 PRO 25 9.641 -1.010 -16.612 174 HG3 PRO 25 HG2 PRO 25 10.438 -1.832 -15.226 175 HD2 PRO 25 HD1 PRO 25 8.354 -0.111 -14.866 176 HD3 PRO 25 HD2 PRO 25 9.731 -0.159 -13.723 177 H GLY 26 H GLY 26 8.529 1.786 -17.050 178 HA2 GLY 26 HA3 GLY 26 9.311 1.680 -19.871 179 HA3 GLY 26 HA2 GLY 26 7.671 1.820 -19.198 180 H ASP 27 H ASP 27 7.704 3.330 -21.109 181 HA ASP 27 HA ASP 27 8.752 6.051 -20.482 182 HB2 ASP 27 HB1 ASP 27 8.392 4.545 -23.084 183 HB3 ASP 27 HB2 ASP 27 8.865 6.259 -22.969 184 H LEU 28 H LEU 28 5.948 4.671 -20.068 185 HA LEU 28 HA LEU 28 4.408 7.081 -20.817 186 HB2 LEU 28 HB1 LEU 28 2.463 5.743 -21.284 187 HB3 LEU 28 HB2 LEU 28 3.833 5.262 -22.315 188 HG LEU 28 HG LEU 28 4.137 3.286 -20.672 189 HD11 LEU 28 HD11 LEU 28 2.744 3.884 -18.781 190 HD12 LEU 28 HD12 LEU 28 1.911 2.581 -19.609 191 HD13 LEU 28 HD13 LEU 28 1.365 4.260 -19.833 192 HD21 LEU 28 HD21 LEU 28 2.404 1.983 -21.855 193 HD22 LEU 28 HD22 LEU 28 3.232 3.086 -22.960 194 HD23 LEU 28 HD23 LEU 28 1.608 3.490 -22.364 195 HA PRO 29 HA PRO 29 3.703 7.316 -16.570 196 HB2 PRO 29 HB1 PRO 29 1.419 8.742 -16.249 197 HB3 PRO 29 HB2 PRO 29 2.847 9.405 -17.102 198 HG2 PRO 29 HG1 PRO 29 0.370 8.150 -18.306 199 HG3 PRO 29 HG2 PRO 29 1.195 9.670 -18.798 200 HD2 PRO 29 HD1 PRO 29 1.582 7.210 -20.028 201 HD3 PRO 29 HD2 PRO 29 2.834 8.469 -19.982 202 H LEU 30 H LEU 30 2.552 6.642 -14.656 203 HA LEU 30 HA LEU 30 0.682 4.346 -15.035 204 HB2 LEU 30 HB1 LEU 30 3.252 4.531 -13.774 205 HB3 LEU 30 HB2 LEU 30 2.025 4.259 -12.516 206 HG LEU 30 HG LEU 30 1.199 2.298 -13.767 207 HD11 LEU 30 HD11 LEU 30 1.873 2.847 -16.088 208 HD12 LEU 30 HD12 LEU 30 2.523 1.287 -15.576 209 HD13 LEU 30 HD13 LEU 30 3.578 2.711 -15.622 210 HD21 LEU 30 HD21 LEU 30 3.082 0.842 -13.200 211 HD22 LEU 30 HD22 LEU 30 2.905 2.125 -11.987 212 HD23 LEU 30 HD23 LEU 30 4.188 2.240 -13.211 213 H ARG 31 H ARG 31 -1.101 4.311 -13.704 214 HA ARG 31 HA ARG 31 -1.491 6.469 -11.700 215 HB2 ARG 31 HB1 ARG 31 -2.322 7.278 -13.929 216 HB3 ARG 31 HB2 ARG 31 -3.532 5.988 -13.889 217 HG2 ARG 31 HG1 ARG 31 -4.835 7.130 -12.391 218 HG3 ARG 31 HG2 ARG 31 -3.448 7.659 -11.415 219 HD2 ARG 31 HD1 ARG 31 -2.902 9.374 -13.102 220 HD3 ARG 31 HD2 ARG 31 -4.293 8.869 -14.078 221 HE ARG 31 HE ARG 31 -5.354 9.493 -11.593 222 HH11 ARG 31 HH12 ARG 31 -3.080 11.387 -13.470 223 HH12 ARG 31 HH11 ARG 31 -3.907 12.814 -13.232 224 HH21 ARG 31 HH22 ARG 31 -6.210 11.531 -11.096 225 HH22 ARG 31 HH21 ARG 31 -5.626 12.935 -11.937 226 H LEU 32 H LEU 32 -1.976 5.474 -9.933 227 HA LEU 32 HA LEU 32 -2.826 2.635 -9.940 228 HB2 LEU 32 HB1 LEU 32 -0.589 3.433 -9.151 229 HB3 LEU 32 HB2 LEU 32 -1.355 4.404 -7.897 230 HG LEU 32 HG LEU 32 -1.854 1.388 -8.089 231 HD11 LEU 32 HD11 LEU 32 0.094 1.029 -6.587 232 HD12 LEU 32 HD12 LEU 32 0.562 2.730 -6.798 233 HD13 LEU 32 HD13 LEU 32 0.582 1.622 -8.182 234 HD21 LEU 32 HD21 LEU 32 -2.053 1.605 -5.625 235 HD22 LEU 32 HD22 LEU 32 -3.210 2.643 -6.456 236 HD23 LEU 32 HD23 LEU 32 -1.741 3.350 -5.756 237 H VAL 33 H VAL 33 -4.746 2.059 -9.023 238 HA VAL 33 HA VAL 33 -6.342 4.182 -7.613 239 HB VAL 33 HB VAL 33 -8.330 3.524 -8.865 240 HG11 VAL 33 HG11 VAL 33 -6.047 4.188 -10.778 241 HG12 VAL 33 HG12 VAL 33 -7.775 4.505 -11.019 242 HG13 VAL 33 HG13 VAL 33 -6.892 5.360 -9.744 243 HG21 VAL 33 HG21 VAL 33 -6.523 1.738 -10.543 244 HG22 VAL 33 HG22 VAL 33 -7.750 1.160 -9.393 245 HG23 VAL 33 HG23 VAL 33 -8.235 2.072 -10.829 246 H GLY 34 H GLY 34 -5.250 0.935 -7.385 247 HA2 GLY 34 HA3 GLY 34 -6.271 0.620 -4.799 248 HA3 GLY 34 HA2 GLY 34 -7.369 -0.240 -5.903 249 H ALA 35 H ALA 35 -6.673 -2.133 -4.694 250 HA ALA 35 HA ALA 35 -4.923 -3.620 -6.362 251 HB1 ALA 35 HB1 ALA 35 -3.211 -2.815 -4.797 252 HB2 ALA 35 HB2 ALA 35 -4.133 -3.471 -3.426 253 HB3 ALA 35 HB3 ALA 35 -3.430 -4.551 -4.662 254 H ARG 36 H ARG 36 -4.868 -6.066 -5.240 255 HA ARG 36 HA ARG 36 -7.260 -6.716 -3.631 256 HB2 ARG 36 HB1 ARG 36 -6.728 -8.044 -6.322 257 HB3 ARG 36 HB2 ARG 36 -7.962 -8.551 -5.156 258 HG2 ARG 36 HG1 ARG 36 -7.931 -5.910 -6.655 259 HG3 ARG 36 HG2 ARG 36 -8.887 -7.340 -7.109 260 HD2 ARG 36 HD1 ARG 36 -10.351 -7.099 -5.304 261 HD3 ARG 36 HD2 ARG 36 -9.180 -6.165 -4.339 262 HE ARG 36 HE ARG 36 -9.675 -4.245 -5.462 263 HH11 ARG 36 HH12 ARG 36 -11.496 -6.850 -6.941 264 HH12 ARG 36 HH11 ARG 36 -12.665 -5.799 -7.690 265 HH21 ARG 36 HH22 ARG 36 -11.038 -2.882 -6.615 266 HH22 ARG 36 HH21 ARG 36 -12.262 -3.524 -7.665 267 H THR 37 H THR 37 -6.917 -8.716 -2.426 268 HA THR 37 HA THR 37 -4.341 -10.151 -2.910 269 HB THR 37 HB THR 37 -3.748 -8.506 -1.349 270 HG1 THR 37 HG1 THR 37 -2.829 -10.446 -1.104 271 HG21 THR 37 HG21 THR 37 -5.822 -7.865 -0.277 272 HG22 THR 37 HG22 THR 37 -4.633 -8.389 0.923 273 HG23 THR 37 HG23 THR 37 -5.962 -9.471 0.466 274 HA PRO 38 HA PRO 38 -7.164 -13.527 -1.465 275 HB2 PRO 38 HB1 PRO 38 -5.334 -15.403 -0.655 276 HB3 PRO 38 HB2 PRO 38 -5.744 -15.066 -2.368 277 HG2 PRO 38 HG1 PRO 38 -3.400 -13.974 -0.804 278 HG3 PRO 38 HG2 PRO 38 -3.380 -14.784 -2.415 279 HD2 PRO 38 HD1 PRO 38 -3.426 -12.082 -2.218 280 HD3 PRO 38 HD2 PRO 38 -4.401 -12.916 -3.459 281 H VAL 39 H VAL 39 -4.607 -12.038 0.450 282 HA VAL 39 HA VAL 39 -5.495 -13.363 2.900 283 HB VAL 39 HB VAL 39 -3.722 -12.442 4.066 284 HG11 VAL 39 HG11 VAL 39 -3.142 -14.056 2.225 285 HG12 VAL 39 HG12 VAL 39 -2.628 -12.671 1.237 286 HG13 VAL 39 HG13 VAL 39 -1.806 -13.035 2.769 287 HG21 VAL 39 HG21 VAL 39 -3.457 -10.266 1.955 288 HG22 VAL 39 HG22 VAL 39 -3.876 -10.057 3.654 289 HG23 VAL 39 HG23 VAL 39 -2.252 -10.585 3.204 290 H ALA 40 H ALA 40 -7.132 -10.990 1.470 291 HA ALA 40 HA ALA 40 -8.378 -10.144 3.968 292 HB1 ALA 40 HB1 ALA 40 -6.521 -8.503 3.673 293 HB2 ALA 40 HB2 ALA 40 -7.233 -8.018 2.116 294 HB3 ALA 40 HB3 ALA 40 -8.133 -7.757 3.621 295 H GLU 41 H GLU 41 -10.226 -8.525 3.440 296 HA GLU 41 HA GLU 41 -11.648 -9.483 1.009 297 HB2 GLU 41 HB1 GLU 41 -12.518 -10.169 3.295 298 HB3 GLU 41 HB2 GLU 41 -12.893 -8.472 3.609 299 HG2 GLU 41 HG1 GLU 41 -14.905 -9.553 2.846 300 HG3 GLU 41 HG2 GLU 41 -14.366 -8.508 1.530 301 H ARG 42 H ARG 42 -12.406 -6.672 3.098 302 HA ARG 42 HA ARG 42 -12.564 -5.060 0.628 303 HB2 ARG 42 HB1 ARG 42 -14.333 -4.779 2.339 304 HB3 ARG 42 HB2 ARG 42 -13.136 -4.095 3.444 305 HG2 ARG 42 HG1 ARG 42 -12.552 -2.383 1.705 306 HG3 ARG 42 HG2 ARG 42 -13.815 -3.071 0.646 307 HD2 ARG 42 HD1 ARG 42 -14.826 -1.203 1.602 308 HD3 ARG 42 HD2 ARG 42 -15.467 -2.556 2.516 309 HE ARG 42 HE ARG 42 -13.296 -0.663 3.417 310 HH11 ARG 42 HH12 ARG 42 -15.920 -2.786 4.463 311 HH12 ARG 42 HH11 ARG 42 -16.003 -1.987 6.011 312 HH21 ARG 42 HH22 ARG 42 -13.399 0.218 5.221 313 HH22 ARG 42 HH21 ARG 42 -14.502 -0.272 6.507 314 H VAL 43 H VAL 43 -10.614 -4.904 -0.052 315 HA VAL 43 HA VAL 43 -8.494 -3.461 1.394 316 HB VAL 43 HB VAL 43 -7.740 -5.036 -0.184 317 HG11 VAL 43 HG11 VAL 43 -9.725 -5.107 -1.705 318 HG12 VAL 43 HG12 VAL 43 -9.174 -3.582 -2.438 319 HG13 VAL 43 HG13 VAL 43 -8.176 -5.050 -2.521 320 HG21 VAL 43 HG21 VAL 43 -6.425 -2.909 -0.014 321 HG22 VAL 43 HG22 VAL 43 -6.217 -3.762 -1.556 322 HG23 VAL 43 HG23 VAL 43 -7.243 -2.317 -1.474 323 H GLU 44 H GLU 44 -8.164 -1.354 1.441 324 HA GLU 44 HA GLU 44 -9.463 0.566 -0.465 325 HB2 GLU 44 HB1 GLU 44 -8.968 0.883 2.531 326 HB3 GLU 44 HB2 GLU 44 -9.496 2.183 1.440 327 HG2 GLU 44 HG1 GLU 44 -11.626 1.072 1.082 328 HG3 GLU 44 HG2 GLU 44 -11.100 -0.339 2.025 329 H LEU 45 H LEU 45 -7.841 2.255 -1.211 330 HA LEU 45 HA LEU 45 -5.166 2.017 -0.026 331 HB2 LEU 45 HB1 LEU 45 -5.661 2.145 -2.525 332 HB3 LEU 45 HB2 LEU 45 -6.092 3.836 -2.285 333 HG LEU 45 HG LEU 45 -3.460 2.726 -1.230 334 HD11 LEU 45 HD11 LEU 45 -2.383 3.215 -3.311 335 HD12 LEU 45 HD12 LEU 45 -3.936 3.767 -4.033 336 HD13 LEU 45 HD13 LEU 45 -3.715 2.074 -3.605 337 HD21 LEU 45 HD21 LEU 45 -4.103 5.459 -2.432 338 HD22 LEU 45 HD22 LEU 45 -2.592 4.965 -1.629 339 HD23 LEU 45 HD23 LEU 45 -4.056 5.134 -0.678 340 H HIS 46 H HIS 46 -4.488 3.257 1.511 341 HA HIS 46 HA HIS 46 -5.817 5.856 2.092 342 HB2 HIS 46 HB1 HIS 46 -4.684 3.733 3.910 343 HB3 HIS 46 HB2 HIS 46 -4.828 5.409 4.446 344 HD2 HIS 46 HD2 HIS 46 -7.756 3.686 2.472 345 HE1 HIS 46 HE1 HIS 46 -9.049 4.233 6.449 346 HE2 HIS 46 HE2 HIS 46 -9.707 3.359 4.139 347 H GLU 47 H GLU 47 -4.571 7.487 2.891 348 HA GLU 47 HA GLU 47 -1.663 7.480 2.213 349 HB2 GLU 47 HB1 GLU 47 -1.751 9.904 2.198 350 HB3 GLU 47 HB2 GLU 47 -2.808 9.204 0.956 351 HG2 GLU 47 HG1 GLU 47 -4.770 9.716 2.196 352 HG3 GLU 47 HG2 GLU 47 -3.856 10.065 3.674 353 H THR 48 H THR 48 -0.345 8.756 3.722 354 HA THR 48 HA THR 48 -1.437 9.003 6.493 355 HB THR 48 HB THR 48 1.435 8.290 5.874 356 HG1 THR 48 HG1 THR 48 0.923 6.280 6.639 357 HG21 THR 48 HG21 THR 48 -0.187 8.296 8.457 358 HG22 THR 48 HG22 THR 48 1.052 9.482 8.012 359 HG23 THR 48 HG23 THR 48 1.508 7.801 8.308 360 H PHE 49 H PHE 49 -1.476 11.044 6.998 361 HA PHE 49 HA PHE 49 0.295 13.008 5.608 362 HB2 PHE 49 HB1 PHE 49 -1.586 14.517 5.543 363 HB3 PHE 49 HB2 PHE 49 -2.025 12.988 4.767 364 HD1 PHE 49 HD2 PHE 49 -2.624 15.207 7.699 365 HD2 PHE 49 HD1 PHE 49 -3.772 11.563 5.709 366 HE1 PHE 49 HE2 PHE 49 -4.616 15.049 9.154 367 HE2 PHE 49 HE1 PHE 49 -5.793 11.437 7.138 368 HZ PHE 49 HZ PHE 49 -6.209 13.163 8.853 369 H MET 50 H MET 50 -0.059 15.242 6.809 370 HA MET 50 HA MET 50 -0.316 14.993 9.714 371 HB2 MET 50 HB1 MET 50 1.698 16.338 10.169 372 HB3 MET 50 HB2 MET 50 2.085 14.752 9.467 373 HG2 MET 50 HG1 MET 50 2.494 15.759 7.297 374 HG3 MET 50 HG2 MET 50 1.952 17.345 7.867 375 HE1 MET 50 HE1 MET 50 4.703 16.860 6.328 376 HE2 MET 50 HE2 MET 50 4.094 18.441 6.883 377 HE3 MET 50 HE3 MET 50 5.747 17.934 7.278 378 H ARG 51 H ARG 51 -0.560 17.052 10.796 379 HA ARG 51 HA ARG 51 -1.096 19.476 9.346 380 HB2 ARG 51 HB1 ARG 51 -3.227 17.546 9.569 381 HB3 ARG 51 HB2 ARG 51 -3.659 18.935 10.582 382 HG2 ARG 51 HG1 ARG 51 -3.628 20.432 8.776 383 HG3 ARG 51 HG2 ARG 51 -2.605 19.376 7.773 384 HD2 ARG 51 HD1 ARG 51 -4.465 17.766 7.563 385 HD3 ARG 51 HD2 ARG 51 -5.498 18.841 8.530 386 HE ARG 51 HE ARG 51 -5.803 20.180 6.678 387 HH11 ARG 51 HH12 ARG 51 -2.950 18.184 5.995 388 HH12 ARG 51 HH11 ARG 51 -2.952 18.591 4.307 389 HH21 ARG 51 HH22 ARG 51 -5.657 20.781 4.519 390 HH22 ARG 51 HH21 ARG 51 -4.427 20.099 3.500 391 H GLU 52 H GLU 52 -2.162 21.111 10.762 392 HA GLU 52 HA GLU 52 -1.273 20.975 13.593 393 HB2 GLU 52 HB1 GLU 52 -0.168 22.699 13.278 394 HB3 GLU 52 HB2 GLU 52 -0.723 22.891 11.622 395 HG2 GLU 52 HG1 GLU 52 -2.668 24.183 12.455 396 HG3 GLU 52 HG2 GLU 52 -2.099 23.877 14.119 397 H VAL 53 H VAL 53 -2.685 21.071 15.100 398 HA VAL 53 HA VAL 53 -5.585 21.092 14.373 399 HB VAL 53 HB VAL 53 -4.360 19.859 16.840 400 HG11 VAL 53 HG11 VAL 53 -7.001 19.348 15.362 401 HG12 VAL 53 HG12 VAL 53 -6.493 18.605 16.894 402 HG13 VAL 53 HG13 VAL 53 -6.861 20.334 16.826 403 HG21 VAL 53 HG21 VAL 53 -4.907 18.498 14.177 404 HG22 VAL 53 HG22 VAL 53 -3.334 18.667 14.990 405 HG23 VAL 53 HG23 VAL 53 -4.585 17.657 15.709 406 H GLU 54 H GLU 54 -5.189 21.423 17.712 407 HA GLU 54 HA GLU 54 -5.534 24.341 17.656 408 HB2 GLU 54 HB1 GLU 54 -4.950 23.005 20.235 409 HB3 GLU 54 HB2 GLU 54 -6.091 24.308 19.818 410 HG2 GLU 54 HG1 GLU 54 -7.575 22.648 20.340 411 HG3 GLU 54 HG2 GLU 54 -7.403 22.282 18.631 412 H GLY 55 H GLY 55 -3.566 24.478 16.332 413 HA2 GLY 55 HA3 GLY 55 -1.488 25.317 15.992 414 HA3 GLY 55 HA2 GLY 55 -1.324 25.526 17.750 415 H LYS 56 H LYS 56 -1.752 22.519 18.015 416 HA LYS 56 HA LYS 56 1.015 21.700 17.982 417 HB2 LYS 56 HB1 LYS 56 0.135 19.688 19.031 418 HB3 LYS 56 HB2 LYS 56 -0.569 21.133 19.783 419 HG2 LYS 56 HG1 LYS 56 -2.608 20.769 18.320 420 HG3 LYS 56 HG2 LYS 56 -1.891 19.226 17.798 421 HD2 LYS 56 HD1 LYS 56 -3.483 18.722 19.469 422 HD3 LYS 56 HD2 LYS 56 -1.897 18.474 20.196 423 HE2 LYS 56 HE1 LYS 56 -2.114 20.387 21.571 424 HE3 LYS 56 HE2 LYS 56 -3.263 21.165 20.428 425 HZ1 LYS 56 HZ1 LYS 56 -4.936 19.692 21.064 426 HZ2 LYS 56 HZ2 LYS 56 -4.416 20.387 22.395 427 HZ3 LYS 56 HZ3 LYS 56 -3.976 18.813 22.081 428 H LYS 57 H LYS 57 2.048 20.379 16.543 429 HA LYS 57 HA LYS 57 0.651 19.724 14.010 430 HB2 LYS 57 HB1 LYS 57 3.536 20.006 14.840 431 HB3 LYS 57 HB2 LYS 57 3.072 19.142 13.339 432 HG2 LYS 57 HG1 LYS 57 3.656 21.345 12.719 433 HG3 LYS 57 HG2 LYS 57 1.899 21.187 12.565 434 HD2 LYS 57 HD1 LYS 57 1.656 22.418 14.727 435 HD3 LYS 57 HD2 LYS 57 3.407 22.645 14.788 436 HE2 LYS 57 HE1 LYS 57 3.361 23.992 12.763 437 HE3 LYS 57 HE2 LYS 57 1.649 23.555 12.463 438 HZ1 LYS 57 HZ1 LYS 57 1.365 25.548 13.370 439 HZ2 LYS 57 HZ2 LYS 57 2.679 25.502 14.390 440 HZ3 LYS 57 HZ3 LYS 57 1.261 24.714 14.706 441 H VAL 58 H VAL 58 0.027 17.694 13.512 442 HA VAL 58 HA VAL 58 1.035 15.340 15.028 443 HB VAL 58 HB VAL 58 -1.935 15.838 14.736 444 HG11 VAL 58 HG11 VAL 58 -2.070 14.195 16.630 445 HG12 VAL 58 HG12 VAL 58 -1.297 13.497 15.214 446 HG13 VAL 58 HG13 VAL 58 -0.304 14.028 16.585 447 HG21 VAL 58 HG21 VAL 58 -2.051 16.496 17.126 448 HG22 VAL 58 HG22 VAL 58 -0.277 16.569 17.186 449 HG23 VAL 58 HG23 VAL 58 -1.200 17.685 16.149 450 H MET 59 H MET 59 0.511 13.318 14.014 451 HA MET 59 HA MET 59 0.213 13.397 11.083 452 HB2 MET 59 HB1 MET 59 0.894 11.103 11.139 453 HB3 MET 59 HB2 MET 59 2.003 12.090 12.110 454 HG2 MET 59 HG1 MET 59 0.313 11.326 14.061 455 HG3 MET 59 HG2 MET 59 0.026 9.982 12.946 456 HE1 MET 59 HE1 MET 59 2.335 11.650 15.543 457 HE2 MET 59 HE2 MET 59 3.945 11.012 15.153 458 HE3 MET 59 HE3 MET 59 3.157 12.146 14.039 459 H GLY 60 H GLY 60 -1.207 11.859 9.982 460 HA2 GLY 60 HA3 GLY 60 -3.435 10.637 11.415 461 HA3 GLY 60 HA2 GLY 60 -3.904 11.959 10.322 462 H MET 61 H MET 61 -5.000 9.591 9.752 463 HA MET 61 HA MET 61 -3.738 8.809 7.181 464 HB2 MET 61 HB1 MET 61 -4.798 6.873 9.282 465 HB3 MET 61 HB2 MET 61 -4.467 6.435 7.585 466 HG2 MET 61 HG1 MET 61 -2.120 6.984 7.857 467 HG3 MET 61 HG2 MET 61 -2.395 7.506 9.524 468 HE1 MET 61 HE1 MET 61 -0.495 6.065 10.461 469 HE2 MET 61 HE2 MET 61 -0.239 4.356 10.022 470 HE3 MET 61 HE3 MET 61 -0.124 5.617 8.778 471 H ARG 62 H ARG 62 -5.287 8.042 5.625 472 HA ARG 62 HA ARG 62 -8.112 7.948 6.136 473 HB2 ARG 62 HB1 ARG 62 -8.865 9.924 4.952 474 HB3 ARG 62 HB2 ARG 62 -7.838 10.435 6.295 475 HG2 ARG 62 HG1 ARG 62 -5.935 10.687 4.703 476 HG3 ARG 62 HG2 ARG 62 -7.024 10.232 3.366 477 HD2 ARG 62 HD1 ARG 62 -8.464 12.226 4.010 478 HD3 ARG 62 HD2 ARG 62 -7.115 12.727 5.065 479 HE ARG 62 HE ARG 62 -5.694 12.942 3.148 480 HH11 ARG 62 HH12 ARG 62 -8.839 11.816 2.018 481 HH12 ARG 62 HH11 ARG 62 -8.413 12.131 0.367 482 HH21 ARG 62 HH22 ARG 62 -5.182 13.008 1.051 483 HH22 ARG 62 HH21 ARG 62 -6.378 12.881 -0.164 484 HA PRO 63 HA PRO 63 -7.731 6.061 2.098 485 HB2 PRO 63 HB1 PRO 63 -10.382 6.362 1.181 486 HB3 PRO 63 HB2 PRO 63 -9.630 4.934 1.918 487 HG2 PRO 63 HG1 PRO 63 -11.557 6.701 3.080 488 HG3 PRO 63 HG2 PRO 63 -10.784 5.268 3.840 489 HD2 PRO 63 HD1 PRO 63 -10.279 8.139 4.261 490 HD3 PRO 63 HD2 PRO 63 -9.728 6.754 5.223 491 H VAL 64 H VAL 64 -7.555 6.526 -0.027 492 HA VAL 64 HA VAL 64 -8.413 9.173 -1.065 493 HB VAL 64 HB VAL 64 -6.157 9.032 -2.466 494 HG11 VAL 64 HG11 VAL 64 -5.174 10.683 -0.987 495 HG12 VAL 64 HG12 VAL 64 -6.914 10.939 -1.179 496 HG13 VAL 64 HG13 VAL 64 -6.287 10.203 0.321 497 HG21 VAL 64 HG21 VAL 64 -4.205 8.330 -1.238 498 HG22 VAL 64 HG22 VAL 64 -5.173 7.910 0.191 499 HG23 VAL 64 HG23 VAL 64 -5.345 6.970 -1.304 500 HA PRO 65 HA PRO 65 -9.734 6.570 -4.320 501 HB2 PRO 65 HB1 PRO 65 -10.129 8.300 -6.393 502 HB3 PRO 65 HB2 PRO 65 -11.108 8.338 -4.895 503 HG2 PRO 65 HG1 PRO 65 -8.699 10.045 -5.583 504 HG3 PRO 65 HG2 PRO 65 -10.295 10.586 -4.951 505 HD2 PRO 65 HD1 PRO 65 -8.140 10.189 -3.313 506 HD3 PRO 65 HD2 PRO 65 -9.804 9.785 -2.791 507 H PHE 66 H PHE 66 -6.614 8.208 -4.766 508 HA PHE 66 HA PHE 66 -5.569 6.126 -6.298 509 HB2 PHE 66 HB1 PHE 66 -5.284 7.102 -8.492 510 HB3 PHE 66 HB2 PHE 66 -7.004 7.113 -8.158 511 HD1 PHE 66 HD2 PHE 66 -8.174 9.263 -7.694 512 HD2 PHE 66 HD1 PHE 66 -4.029 9.137 -8.862 513 HE1 PHE 66 HE2 PHE 66 -8.221 11.709 -8.130 514 HE2 PHE 66 HE1 PHE 66 -4.062 11.577 -9.270 515 HZ PHE 66 HZ PHE 66 -6.151 12.878 -8.883 516 H LEU 67 H LEU 67 -3.535 6.640 -7.308 517 HA LEU 67 HA LEU 67 -2.192 9.137 -6.773 518 HB2 LEU 67 HB1 LEU 67 -0.070 7.945 -6.051 519 HB3 LEU 67 HB2 LEU 67 -1.353 8.224 -4.852 520 HG LEU 67 HG LEU 67 -1.836 5.615 -5.682 521 HD11 LEU 67 HD11 LEU 67 0.393 5.604 -6.892 522 HD12 LEU 67 HD12 LEU 67 0.412 4.519 -5.477 523 HD13 LEU 67 HD13 LEU 67 1.188 6.105 -5.381 524 HD21 LEU 67 HD21 LEU 67 -1.898 6.472 -3.376 525 HD22 LEU 67 HD22 LEU 67 -0.128 6.615 -3.365 526 HD23 LEU 67 HD23 LEU 67 -0.885 5.015 -3.474 527 H GLU 68 H GLU 68 0.144 8.925 -8.010 528 HA GLU 68 HA GLU 68 -0.020 7.260 -10.379 529 HB2 GLU 68 HB1 GLU 68 -0.454 8.860 -12.008 530 HB3 GLU 68 HB2 GLU 68 -1.728 9.085 -10.798 531 HG2 GLU 68 HG1 GLU 68 -0.364 11.025 -9.885 532 HG3 GLU 68 HG2 GLU 68 0.712 10.833 -11.287 533 H VAL 69 H VAL 69 1.640 7.887 -11.967 534 HA VAL 69 HA VAL 69 4.122 8.798 -10.661 535 HB VAL 69 HB VAL 69 4.132 6.093 -12.048 536 HG11 VAL 69 HG11 VAL 69 6.008 5.634 -10.476 537 HG12 VAL 69 HG12 VAL 69 6.297 7.059 -11.472 538 HG13 VAL 69 HG13 VAL 69 5.806 7.259 -9.787 539 HG21 VAL 69 HG21 VAL 69 3.843 4.839 -9.965 540 HG22 VAL 69 HG22 VAL 69 3.382 6.333 -9.121 541 HG23 VAL 69 HG23 VAL 69 2.369 5.682 -10.428 542 HA PRO 70 HA PRO 70 4.849 9.670 -15.083 543 HB2 PRO 70 HB1 PRO 70 7.416 10.552 -14.994 544 HB3 PRO 70 HB2 PRO 70 6.049 11.540 -14.396 545 HG2 PRO 70 HG1 PRO 70 7.929 9.787 -12.787 546 HG3 PRO 70 HG2 PRO 70 7.441 11.486 -12.448 547 HD2 PRO 70 HD1 PRO 70 6.241 9.309 -11.261 548 HD3 PRO 70 HD2 PRO 70 5.335 10.798 -11.638 549 HA PRO 71 HA PRO 71 7.486 6.072 -16.241 550 HB2 PRO 71 HB1 PRO 71 8.864 7.087 -18.404 551 HB3 PRO 71 HB2 PRO 71 7.222 6.378 -18.447 552 HG2 PRO 71 HG1 PRO 71 8.032 9.256 -18.507 553 HG3 PRO 71 HG2 PRO 71 6.609 8.457 -19.283 554 HD2 PRO 71 HD1 PRO 71 6.541 9.956 -16.926 555 HD3 PRO 71 HD2 PRO 71 5.323 8.756 -17.408 556 H LYS 72 H LYS 72 9.582 5.412 -15.799 557 HA LYS 72 HA LYS 72 11.620 5.371 -14.878 558 HB2 LYS 72 HB1 LYS 72 11.993 8.311 -15.406 559 HB3 LYS 72 HB2 LYS 72 13.225 7.039 -15.296 560 HG2 LYS 72 HG1 LYS 72 11.202 7.468 -17.521 561 HG3 LYS 72 HG2 LYS 72 12.950 7.755 -17.565 562 HD2 LYS 72 HD1 LYS 72 13.362 5.325 -17.418 563 HD3 LYS 72 HD2 LYS 72 11.611 5.028 -17.236 564 HE2 LYS 72 HE1 LYS 72 11.280 6.204 -19.448 565 HE3 LYS 72 HE2 LYS 72 13.023 6.183 -19.686 566 HZ1 LYS 72 HZ1 LYS 72 11.300 3.801 -19.285 567 HZ2 LYS 72 HZ2 LYS 72 12.901 3.739 -19.620 568 HZ3 LYS 72 HZ3 LYS 72 11.819 4.328 -20.729 569 H GLY 73 H GLY 73 9.183 7.027 -13.512 570 HA2 GLY 73 HA3 GLY 73 10.498 7.994 -11.100 571 HA3 GLY 73 HA2 GLY 73 8.772 8.102 -11.516 572 H ARG 74 H ARG 74 10.168 7.304 -9.243 573 HA ARG 74 HA ARG 74 8.934 4.641 -8.647 574 HB2 ARG 74 HB1 ARG 74 11.338 4.661 -8.117 575 HB3 ARG 74 HB2 ARG 74 11.130 6.103 -7.101 576 HG2 ARG 74 HG1 ARG 74 9.876 4.917 -5.482 577 HG3 ARG 74 HG2 ARG 74 9.616 3.523 -6.549 578 HD2 ARG 74 HD1 ARG 74 11.157 2.982 -4.786 579 HD3 ARG 74 HD2 ARG 74 11.958 2.862 -6.328 580 HE ARG 74 HE ARG 74 12.301 4.873 -4.181 581 HH11 ARG 74 HH12 ARG 74 13.555 3.605 -7.309 582 HH12 ARG 74 HH11 ARG 74 15.104 4.326 -7.054 583 HH21 ARG 74 HH22 ARG 74 14.261 5.687 -3.930 584 HH22 ARG 74 HH21 ARG 74 15.505 5.575 -5.162 585 H VAL 75 H VAL 75 7.479 4.410 -7.111 586 HA VAL 75 HA VAL 75 6.878 6.648 -5.247 587 HB VAL 75 HB VAL 75 4.513 5.710 -5.067 588 HG11 VAL 75 HG11 VAL 75 3.651 7.159 -6.849 589 HG12 VAL 75 HG12 VAL 75 5.010 7.918 -6.004 590 HG13 VAL 75 HG13 VAL 75 5.258 7.204 -7.608 591 HG21 VAL 75 HG21 VAL 75 4.785 3.637 -6.381 592 HG22 VAL 75 HG22 VAL 75 3.527 4.666 -7.075 593 HG23 VAL 75 HG23 VAL 75 5.130 4.584 -7.842 594 H GLU 76 H GLU 76 6.521 5.970 -3.143 595 HA GLU 76 HA GLU 76 6.894 3.057 -2.576 596 HB2 GLU 76 HB1 GLU 76 8.321 5.407 -1.280 597 HB3 GLU 76 HB2 GLU 76 8.281 3.758 -0.607 598 HG2 GLU 76 HG1 GLU 76 9.394 2.863 -2.560 599 HG3 GLU 76 HG2 GLU 76 9.296 4.418 -3.402 600 H LEU 77 H LEU 77 5.074 2.414 -1.814 601 HA LEU 77 HA LEU 77 3.218 4.039 -0.240 602 HB2 LEU 77 HB1 LEU 77 3.206 1.130 -1.109 603 HB3 LEU 77 HB2 LEU 77 1.977 1.872 -0.039 604 HG LEU 77 HG LEU 77 1.670 3.568 -2.017 605 HD11 LEU 77 HD11 LEU 77 1.956 2.562 -4.253 606 HD12 LEU 77 HD12 LEU 77 2.808 1.183 -3.535 607 HD13 LEU 77 HD13 LEU 77 3.518 2.812 -3.474 608 HD21 LEU 77 HD21 LEU 77 0.642 0.709 -2.151 609 HD22 LEU 77 HD22 LEU 77 -0.069 2.106 -2.985 610 HD23 LEU 77 HD23 LEU 77 -0.064 2.045 -1.216 611 H LYS 78 H LYS 78 5.099 4.544 0.980 612 HA LYS 78 HA LYS 78 6.050 2.810 3.093 613 HB2 LYS 78 HB1 LYS 78 7.313 4.883 3.700 614 HB3 LYS 78 HB2 LYS 78 7.484 4.396 1.989 615 HG2 LYS 78 HG1 LYS 78 5.512 6.136 1.640 616 HG3 LYS 78 HG2 LYS 78 6.058 6.789 3.183 617 HD2 LYS 78 HD1 LYS 78 8.095 6.269 1.026 618 HD3 LYS 78 HD2 LYS 78 7.010 7.654 0.814 619 HE2 LYS 78 HE1 LYS 78 8.590 7.236 3.374 620 HE3 LYS 78 HE2 LYS 78 9.305 8.035 1.951 621 HZ1 LYS 78 HZ1 LYS 78 8.307 9.634 3.492 622 HZ2 LYS 78 HZ2 LYS 78 6.842 8.917 3.361 623 HZ3 LYS 78 HZ3 LYS 78 7.503 9.648 2.058 624 HA PRO 79 HA PRO 79 3.001 3.591 6.199 625 HB2 PRO 79 HB1 PRO 79 4.569 4.022 8.486 626 HB3 PRO 79 HB2 PRO 79 4.070 2.440 7.832 627 HG2 PRO 79 HG1 PRO 79 6.667 3.910 7.409 628 HG3 PRO 79 HG2 PRO 79 6.411 2.154 7.702 629 HD2 PRO 79 HD1 PRO 79 6.877 3.099 5.206 630 HD3 PRO 79 HD2 PRO 79 5.660 1.813 5.476 631 H GLY 80 H GLY 80 5.687 5.992 6.181 632 HA2 GLY 80 HA3 GLY 80 3.773 8.149 6.889 633 HA3 GLY 80 HA2 GLY 80 5.536 8.309 6.719 634 H GLY 81 H GLY 81 2.776 7.244 4.646 635 HA2 GLY 81 HA3 GLY 81 3.010 9.344 2.734 636 HA3 GLY 81 HA2 GLY 81 3.868 7.902 2.145 637 H TYR 82 H TYR 82 2.537 5.823 2.280 638 HA TYR 82 HA TYR 82 -0.348 6.046 1.775 639 HB2 TYR 82 HB1 TYR 82 1.457 5.114 -0.453 640 HB3 TYR 82 HB2 TYR 82 -0.306 5.221 -0.481 641 HD1 TYR 82 HD1 TYR 82 -1.404 7.503 -0.448 642 HD2 TYR 82 HD2 TYR 82 2.838 6.939 -1.016 643 HE1 TYR 82 HE1 TYR 82 -1.212 9.833 -1.276 644 HE2 TYR 82 HE2 TYR 82 3.042 9.250 -1.870 645 HH TYR 82 HH TYR 82 0.176 11.426 -2.020 646 H HIS 83 H HIS 83 -1.395 3.951 1.680 647 HA HIS 83 HA HIS 83 0.159 1.505 1.618 648 HB2 HIS 83 HB1 HIS 83 -0.437 0.760 3.879 649 HB3 HIS 83 HB2 HIS 83 0.661 2.140 3.926 650 HD1 HIS 83 HD1 HIS 83 -0.627 4.577 4.639 651 HD2 HIS 83 HD2 HIS 83 -2.659 0.943 5.214 652 HE1 HIS 83 HE1 HIS 83 -2.461 5.039 6.334 653 H PHE 84 H PHE 84 -1.375 -0.395 2.087 654 HA PHE 84 HA PHE 84 -4.139 0.296 1.163 655 HB2 PHE 84 HB1 PHE 84 -2.635 -2.334 1.121 656 HB3 PHE 84 HB2 PHE 84 -4.377 -2.160 0.805 657 HD1 PHE 84 HD1 PHE 84 -5.069 -0.454 -1.026 658 HD2 PHE 84 HD2 PHE 84 -1.112 -2.140 -0.696 659 HE1 PHE 84 HE1 PHE 84 -4.632 0.085 -3.394 660 HE2 PHE 84 HE2 PHE 84 -0.672 -1.556 -3.066 661 HZ PHE 84 HZ PHE 84 -2.421 -0.412 -4.417 662 H MET 85 H MET 85 -5.657 0.266 2.593 663 HA MET 85 HA MET 85 -5.320 -0.960 5.283 664 HB2 MET 85 HB1 MET 85 -7.136 1.073 4.067 665 HB3 MET 85 HB2 MET 85 -7.897 -0.050 5.223 666 HG2 MET 85 HG1 MET 85 -5.421 1.604 5.801 667 HG3 MET 85 HG2 MET 85 -7.085 2.013 6.290 668 HE1 MET 85 HE1 MET 85 -4.035 1.209 7.811 669 HE2 MET 85 HE2 MET 85 -4.093 -0.431 8.508 670 HE3 MET 85 HE3 MET 85 -3.998 -0.201 6.743 671 H LEU 86 H LEU 86 -5.832 -2.918 5.608 672 HA LEU 86 HA LEU 86 -7.541 -4.404 3.649 673 HB2 LEU 86 HB1 LEU 86 -5.341 -5.360 5.531 674 HB3 LEU 86 HB2 LEU 86 -6.228 -6.362 4.376 675 HG LEU 86 HG LEU 86 -4.227 -4.153 3.737 676 HD11 LEU 86 HD11 LEU 86 -2.886 -6.018 2.825 677 HD12 LEU 86 HD12 LEU 86 -4.130 -7.176 3.335 678 HD13 LEU 86 HD13 LEU 86 -3.224 -6.245 4.549 679 HD21 LEU 86 HD21 LEU 86 -5.948 -4.129 1.999 680 HD22 LEU 86 HD22 LEU 86 -5.843 -5.897 1.822 681 HD23 LEU 86 HD23 LEU 86 -4.472 -4.863 1.360 682 H LEU 87 H LEU 87 -9.536 -4.622 4.464 683 HA LEU 87 HA LEU 87 -9.944 -5.155 7.384 684 HB2 LEU 87 HB1 LEU 87 -11.807 -4.218 5.170 685 HB3 LEU 87 HB2 LEU 87 -12.342 -4.630 6.812 686 HG LEU 87 HG LEU 87 -12.351 -2.279 6.526 687 HD11 LEU 87 HD11 LEU 87 -11.030 -1.561 8.415 688 HD12 LEU 87 HD12 LEU 87 -9.948 -2.948 8.227 689 HD13 LEU 87 HD13 LEU 87 -11.636 -3.199 8.738 690 HD21 LEU 87 HD21 LEU 87 -9.367 -2.268 5.974 691 HD22 LEU 87 HD22 LEU 87 -10.468 -0.881 6.018 692 HD23 LEU 87 HD23 LEU 87 -10.637 -2.070 4.720 693 H GLY 88 H GLY 88 -10.852 -7.044 8.036 694 HA2 GLY 88 HA3 GLY 88 -11.895 -9.132 7.917 695 HA3 GLY 88 HA2 GLY 88 -12.264 -8.845 6.201 696 H LEU 89 H LEU 89 -9.425 -9.392 8.358 697 HA LEU 89 HA LEU 89 -7.729 -10.297 6.210 698 HB2 LEU 89 HB1 LEU 89 -7.417 -10.712 9.195 699 HB3 LEU 89 HB2 LEU 89 -6.145 -10.836 7.959 700 HG LEU 89 HG LEU 89 -7.590 -8.317 8.866 701 HD11 LEU 89 HD11 LEU 89 -5.860 -9.319 10.391 702 HD12 LEU 89 HD12 LEU 89 -5.454 -7.706 9.805 703 HD13 LEU 89 HD13 LEU 89 -4.673 -9.130 9.097 704 HD21 LEU 89 HD21 LEU 89 -5.994 -7.092 7.393 705 HD22 LEU 89 HD22 LEU 89 -7.127 -8.077 6.467 706 HD23 LEU 89 HD23 LEU 89 -5.454 -8.638 6.706 707 H LYS 90 H LYS 90 -7.620 -12.213 5.259 708 HA LYS 90 HA LYS 90 -9.463 -14.316 6.132 709 HB2 LYS 90 HB1 LYS 90 -7.738 -14.059 3.638 710 HB3 LYS 90 HB2 LYS 90 -8.979 -15.310 3.919 711 HG2 LYS 90 HG1 LYS 90 -10.651 -13.462 4.279 712 HG3 LYS 90 HG2 LYS 90 -9.403 -12.305 3.754 713 HD2 LYS 90 HD1 LYS 90 -9.380 -13.205 1.531 714 HD3 LYS 90 HD2 LYS 90 -10.419 -14.568 1.995 715 HE2 LYS 90 HE1 LYS 90 -12.298 -13.163 2.356 716 HE3 LYS 90 HE2 LYS 90 -11.300 -11.692 2.421 717 HZ1 LYS 90 HZ1 LYS 90 -10.952 -11.840 0.097 718 HZ2 LYS 90 HZ2 LYS 90 -12.561 -11.898 0.397 719 HZ3 LYS 90 HZ3 LYS 90 -11.803 -13.283 -0.012 720 H ARG 91 H ARG 91 -6.902 -13.748 7.522 721 HA ARG 91 HA ARG 91 -6.234 -16.184 8.728 722 HB2 ARG 91 HB1 ARG 91 -3.903 -16.405 7.878 723 HB3 ARG 91 HB2 ARG 91 -5.098 -16.756 6.623 724 HG2 ARG 91 HG1 ARG 91 -4.793 -14.358 5.812 725 HG3 ARG 91 HG2 ARG 91 -3.452 -14.201 6.972 726 HD2 ARG 91 HD1 ARG 91 -2.500 -14.690 4.848 727 HD3 ARG 91 HD2 ARG 91 -2.325 -16.123 5.864 728 HE ARG 91 HE ARG 91 -4.751 -16.370 4.411 729 HH11 ARG 91 HH12 ARG 91 -1.269 -16.416 3.750 730 HH12 ARG 91 HH11 ARG 91 -1.446 -17.163 2.214 731 HH21 ARG 91 HH22 ARG 91 -4.933 -17.448 2.420 732 HH22 ARG 91 HH21 ARG 91 -3.492 -17.779 1.489 733 HA PRO 92 HA PRO 92 -3.759 -12.855 10.896 734 HB2 PRO 92 HB1 PRO 92 -2.077 -14.427 12.351 735 HB3 PRO 92 HB2 PRO 92 -3.743 -14.071 12.893 736 HG2 PRO 92 HG1 PRO 92 -2.704 -16.546 11.500 737 HG3 PRO 92 HG2 PRO 92 -3.843 -16.446 12.888 738 HD2 PRO 92 HD1 PRO 92 -4.617 -16.796 10.237 739 HD3 PRO 92 HD2 PRO 92 -5.646 -16.011 11.468 740 H LEU 93 H LEU 93 -1.957 -12.037 9.804 741 HA LEU 93 HA LEU 93 -1.056 -13.388 7.448 742 HB2 LEU 93 HB1 LEU 93 0.240 -11.074 8.905 743 HB3 LEU 93 HB2 LEU 93 0.665 -11.656 7.270 744 HG LEU 93 HG LEU 93 -0.506 -9.645 7.050 745 HD11 LEU 93 HD11 LEU 93 -1.027 -11.414 5.397 746 HD12 LEU 93 HD12 LEU 93 -2.363 -10.268 5.624 747 HD13 LEU 93 HD13 LEU 93 -2.454 -11.880 6.353 748 HD21 LEU 93 HD21 LEU 93 -2.676 -9.116 7.863 749 HD22 LEU 93 HD22 LEU 93 -1.713 -9.637 9.251 750 HD23 LEU 93 HD23 LEU 93 -2.919 -10.735 8.538 751 H LYS 94 H LYS 94 0.261 -15.082 7.263 752 HA LYS 94 HA LYS 94 1.603 -16.102 9.587 753 HB2 LYS 94 HB1 LYS 94 0.703 -17.736 8.325 754 HB3 LYS 94 HB2 LYS 94 0.991 -16.894 6.792 755 HG2 LYS 94 HG1 LYS 94 2.187 -18.876 6.688 756 HG3 LYS 94 HG2 LYS 94 3.387 -17.612 6.916 757 HD2 LYS 94 HD1 LYS 94 3.303 -18.179 9.408 758 HD3 LYS 94 HD2 LYS 94 2.319 -19.583 8.954 759 HE2 LYS 94 HE1 LYS 94 5.226 -18.970 8.340 760 HE3 LYS 94 HE2 LYS 94 4.549 -20.407 9.114 761 HZ1 LYS 94 HZ1 LYS 94 5.216 -20.921 6.882 762 HZ2 LYS 94 HZ2 LYS 94 4.452 -19.633 6.260 763 HZ3 LYS 94 HZ3 LYS 94 3.560 -20.891 6.850 764 H ALA 95 H ALA 95 3.320 -14.915 10.360 765 HA ALA 95 HA ALA 95 5.505 -13.889 8.903 766 HB1 ALA 95 HB1 ALA 95 5.555 -15.392 11.561 767 HB2 ALA 95 HB2 ALA 95 6.828 -14.321 10.944 768 HB3 ALA 95 HB3 ALA 95 5.234 -13.652 11.349 769 H GLY 96 H GLY 96 6.709 -14.815 7.356 770 HA2 GLY 96 HA3 GLY 96 7.989 -16.499 6.285 771 HA3 GLY 96 HA2 GLY 96 7.352 -17.705 7.426 772 H GLU 97 H GLU 97 5.175 -15.407 5.567 773 HA GLU 97 HA GLU 97 5.324 -17.188 3.296 774 HB2 GLU 97 HB1 GLU 97 3.033 -17.218 2.877 775 HB3 GLU 97 HB2 GLU 97 3.176 -17.712 4.557 776 HG2 GLU 97 HG1 GLU 97 2.568 -15.310 5.179 777 HG3 GLU 97 HG2 GLU 97 2.269 -14.992 3.462 778 H GLU 98 H GLU 98 3.999 -15.819 1.518 779 HA GLU 98 HA GLU 98 4.673 -12.948 1.800 780 HB2 GLU 98 HB1 GLU 98 4.735 -14.585 -0.752 781 HB3 GLU 98 HB2 GLU 98 4.931 -12.817 -0.574 782 HG2 GLU 98 HG1 GLU 98 6.896 -13.491 1.041 783 HG3 GLU 98 HG2 GLU 98 6.817 -15.053 0.211 784 H VAL 99 H VAL 99 3.257 -11.577 0.954 785 HA VAL 99 HA VAL 99 0.434 -12.455 0.604 786 HB VAL 99 HB VAL 99 1.769 -9.755 1.060 787 HG11 VAL 99 HG11 VAL 99 -0.580 -8.830 1.184 788 HG12 VAL 99 HG12 VAL 99 -0.110 -9.291 -0.452 789 HG13 VAL 99 HG13 VAL 99 -1.165 -10.361 0.507 790 HG21 VAL 99 HG21 VAL 99 1.659 -11.187 3.037 791 HG22 VAL 99 HG22 VAL 99 0.456 -9.904 3.204 792 HG23 VAL 99 HG23 VAL 99 -0.045 -11.539 2.745 793 H GLU 100 H GLU 100 0.036 -13.052 -1.402 794 HA GLU 100 HA GLU 100 1.033 -11.702 -3.799 795 HB2 GLU 100 HB1 GLU 100 -1.332 -13.498 -3.231 796 HB3 GLU 100 HB2 GLU 100 -1.179 -12.602 -4.773 797 HG2 GLU 100 HG1 GLU 100 1.121 -13.717 -4.998 798 HG3 GLU 100 HG2 GLU 100 0.594 -14.813 -3.710 799 H LEU 101 H LEU 101 0.283 -9.925 -4.769 800 HA LEU 101 HA LEU 101 -2.259 -8.711 -3.997 801 HB2 LEU 101 HB1 LEU 101 0.348 -7.805 -3.019 802 HB3 LEU 101 HB2 LEU 101 -0.512 -6.519 -3.882 803 HG LEU 101 HG LEU 101 -1.812 -8.099 -1.693 804 HD11 LEU 101 HD11 LEU 101 -0.316 -5.486 -1.544 805 HD12 LEU 101 HD12 LEU 101 0.161 -7.039 -0.804 806 HD13 LEU 101 HD13 LEU 101 -1.313 -6.224 -0.238 807 HD21 LEU 101 HD21 LEU 101 -2.353 -5.253 -2.692 808 HD22 LEU 101 HD22 LEU 101 -3.376 -6.213 -1.608 809 HD23 LEU 101 HD23 LEU 101 -3.227 -6.638 -3.324 810 H ASP 102 H ASP 102 -3.230 -7.846 -5.548 811 HA ASP 102 HA ASP 102 -2.030 -7.609 -8.239 812 HB2 ASP 102 HB1 ASP 102 -4.736 -8.345 -7.117 813 HB3 ASP 102 HB2 ASP 102 -4.468 -8.036 -8.832 814 H LEU 103 H LEU 103 -1.320 -5.505 -8.172 815 HA LEU 103 HA LEU 103 -2.722 -3.270 -7.101 816 HB2 LEU 103 HB1 LEU 103 -0.484 -3.308 -9.141 817 HB3 LEU 103 HB2 LEU 103 -0.879 -1.988 -8.040 818 HG LEU 103 HG LEU 103 0.284 -4.712 -7.283 819 HD11 LEU 103 HD11 LEU 103 2.348 -3.504 -6.888 820 HD12 LEU 103 HD12 LEU 103 1.578 -1.956 -7.314 821 HD13 LEU 103 HD13 LEU 103 1.815 -3.219 -8.544 822 HD21 LEU 103 HD21 LEU 103 0.635 -3.723 -5.033 823 HD22 LEU 103 HD22 LEU 103 -1.079 -3.861 -5.429 824 HD23 LEU 103 HD23 LEU 103 -0.274 -2.277 -5.531 825 H LEU 104 H LEU 104 -4.210 -1.960 -7.975 826 HA LEU 104 HA LEU 104 -5.129 -2.487 -10.752 827 HB2 LEU 104 HB1 LEU 104 -6.487 -0.831 -8.606 828 HB3 LEU 104 HB2 LEU 104 -7.188 -1.413 -10.128 829 HG LEU 104 HG LEU 104 -6.438 -3.044 -7.708 830 HD11 LEU 104 HD11 LEU 104 -9.151 -2.430 -8.928 831 HD12 LEU 104 HD12 LEU 104 -8.474 -1.680 -7.462 832 HD13 LEU 104 HD13 LEU 104 -8.825 -3.415 -7.482 833 HD21 LEU 104 HD21 LEU 104 -7.626 -3.985 -10.357 834 HD22 LEU 104 HD22 LEU 104 -7.512 -4.977 -8.884 835 HD23 LEU 104 HD23 LEU 104 -6.040 -4.420 -9.684 836 H PHE 105 H PHE 105 -5.181 -1.013 -12.315 837 HA PHE 105 HA PHE 105 -4.170 1.747 -11.774 838 HB2 PHE 105 HB1 PHE 105 -3.287 -0.348 -13.758 839 HB3 PHE 105 HB2 PHE 105 -2.908 1.340 -13.996 840 HD1 PHE 105 HD2 PHE 105 -1.328 2.462 -12.335 841 HD2 PHE 105 HD1 PHE 105 -2.101 -1.774 -12.260 842 HE1 PHE 105 HE2 PHE 105 0.727 2.122 -10.992 843 HE2 PHE 105 HE1 PHE 105 -0.039 -2.109 -10.927 844 HZ PHE 105 HZ PHE 105 1.368 -0.174 -10.274 845 H ALA 106 H ALA 106 -5.018 3.325 -12.944 846 HA ALA 106 HA ALA 106 -7.667 3.254 -13.536 847 HB1 ALA 106 HB1 ALA 106 -5.643 5.197 -14.728 848 HB2 ALA 106 HB2 ALA 106 -7.383 5.491 -14.523 849 HB3 ALA 106 HB3 ALA 106 -6.350 5.297 -13.095 850 H GLY 107 H GLY 107 -8.980 2.561 -15.051 851 HA2 GLY 107 HA3 GLY 107 -9.757 2.025 -17.248 852 HA3 GLY 107 HA2 GLY 107 -8.081 2.079 -17.842 853 H GLY 108 H GLY 108 -8.057 -0.001 -18.679 854 HA2 GLY 108 HA3 GLY 108 -8.943 -2.281 -17.094 855 HA3 GLY 108 HA2 GLY 108 -8.412 -2.281 -18.791 856 H LYS 109 H LYS 109 -6.301 -1.055 -16.084 857 HA LYS 109 HA LYS 109 -4.419 -3.278 -16.743 858 HB2 LYS 109 HB1 LYS 109 -4.153 -0.448 -15.723 859 HB3 LYS 109 HB2 LYS 109 -2.891 -1.678 -15.445 860 HG2 LYS 109 HG1 LYS 109 -1.991 -0.853 -17.296 861 HG3 LYS 109 HG2 LYS 109 -3.153 -1.899 -18.114 862 HD2 LYS 109 HD1 LYS 109 -3.372 0.233 -19.168 863 HD3 LYS 109 HD2 LYS 109 -4.750 0.161 -18.054 864 HE2 LYS 109 HE1 LYS 109 -3.272 1.377 -16.351 865 HE3 LYS 109 HE2 LYS 109 -2.067 1.572 -17.640 866 HZ1 LYS 109 HZ1 LYS 109 -3.419 3.531 -17.494 867 HZ2 LYS 109 HZ2 LYS 109 -4.810 2.679 -17.530 868 HZ3 LYS 109 HZ3 LYS 109 -3.870 2.769 -18.884 869 H VAL 110 H VAL 110 -4.233 -4.868 -15.223 870 HA VAL 110 HA VAL 110 -3.827 -3.978 -12.473 871 HB VAL 110 HB VAL 110 -5.967 -4.839 -12.273 872 HG11 VAL 110 HG11 VAL 110 -6.760 -7.039 -13.020 873 HG12 VAL 110 HG12 VAL 110 -6.329 -5.972 -14.358 874 HG13 VAL 110 HG13 VAL 110 -5.230 -7.295 -13.887 875 HG21 VAL 110 HG21 VAL 110 -5.739 -6.744 -10.767 876 HG22 VAL 110 HG22 VAL 110 -4.195 -7.208 -11.504 877 HG23 VAL 110 HG23 VAL 110 -4.314 -5.709 -10.568 878 H LEU 111 H LEU 111 -1.890 -4.544 -11.819 879 HA LEU 111 HA LEU 111 -0.372 -6.730 -13.192 880 HB2 LEU 111 HB1 LEU 111 0.378 -4.005 -12.093 881 HB3 LEU 111 HB2 LEU 111 1.582 -5.246 -12.495 882 HG LEU 111 HG LEU 111 1.426 -3.507 -14.117 883 HD11 LEU 111 HD11 LEU 111 1.367 -4.896 -16.147 884 HD12 LEU 111 HD12 LEU 111 0.452 -6.149 -15.284 885 HD13 LEU 111 HD13 LEU 111 2.127 -5.781 -14.812 886 HD21 LEU 111 HD21 LEU 111 -1.306 -4.373 -15.051 887 HD22 LEU 111 HD22 LEU 111 -0.316 -3.028 -15.618 888 HD23 LEU 111 HD23 LEU 111 -1.018 -2.967 -13.993 889 H LYS 112 H LYS 112 0.038 -8.401 -11.797 890 HA LYS 112 HA LYS 112 -0.164 -7.858 -8.919 891 HB2 LYS 112 HB1 LYS 112 -0.399 -10.205 -8.615 892 HB3 LYS 112 HB2 LYS 112 -1.501 -9.619 -9.885 893 HG2 LYS 112 HG1 LYS 112 0.078 -10.502 -11.593 894 HG3 LYS 112 HG2 LYS 112 1.077 -11.185 -10.301 895 HD2 LYS 112 HD1 LYS 112 -1.864 -11.859 -10.752 896 HD3 LYS 112 HD2 LYS 112 -0.478 -12.819 -11.358 897 HE2 LYS 112 HE1 LYS 112 -0.785 -13.998 -9.482 898 HE3 LYS 112 HE2 LYS 112 0.174 -12.724 -8.731 899 HZ1 LYS 112 HZ1 LYS 112 -1.925 -11.698 -7.983 900 HZ2 LYS 112 HZ2 LYS 112 -1.790 -13.269 -7.515 901 HZ3 LYS 112 HZ3 LYS 112 -2.793 -12.826 -8.760 902 H VAL 113 H VAL 113 1.171 -8.394 -7.385 903 HA VAL 113 HA VAL 113 4.013 -9.061 -7.954 904 HB VAL 113 HB VAL 113 4.775 -7.397 -6.332 905 HG11 VAL 113 HG11 VAL 113 3.157 -6.043 -8.529 906 HG12 VAL 113 HG12 VAL 113 4.569 -5.387 -7.682 907 HG13 VAL 113 HG13 VAL 113 4.752 -6.801 -8.735 908 HG21 VAL 113 HG21 VAL 113 1.932 -6.291 -6.285 909 HG22 VAL 113 HG22 VAL 113 2.735 -7.133 -4.942 910 HG23 VAL 113 HG23 VAL 113 3.358 -5.581 -5.508 911 H VAL 114 H VAL 114 5.117 -9.497 -5.748 912 HA VAL 114 HA VAL 114 3.328 -10.746 -3.770 913 HB VAL 114 HB VAL 114 4.068 -12.447 -5.432 914 HG11 VAL 114 HG11 VAL 114 6.309 -11.564 -5.992 915 HG12 VAL 114 HG12 VAL 114 6.888 -11.997 -4.368 916 HG13 VAL 114 HG13 VAL 114 6.361 -13.260 -5.496 917 HG21 VAL 114 HG21 VAL 114 5.232 -12.938 -2.701 918 HG22 VAL 114 HG22 VAL 114 3.493 -13.017 -3.077 919 HG23 VAL 114 HG23 VAL 114 4.623 -14.149 -3.839 920 H LEU 115 H LEU 115 4.142 -10.609 -1.658 921 HA LEU 115 HA LEU 115 6.559 -8.897 -1.178 922 HB2 LEU 115 HB1 LEU 115 3.686 -8.343 -0.322 923 HB3 LEU 115 HB2 LEU 115 5.089 -7.390 0.177 924 HG LEU 115 HG LEU 115 4.060 -7.606 -2.691 925 HD11 LEU 115 HD11 LEU 115 3.647 -5.438 -0.598 926 HD12 LEU 115 HD12 LEU 115 2.413 -6.552 -1.214 927 HD13 LEU 115 HD13 LEU 115 3.136 -5.360 -2.301 928 HD21 LEU 115 HD21 LEU 115 5.487 -5.629 -3.091 929 HD22 LEU 115 HD22 LEU 115 6.480 -6.986 -2.530 930 HD23 LEU 115 HD23 LEU 115 6.048 -5.688 -1.405 931 HA PRO 116 HA PRO 116 6.621 -11.797 2.252 932 HB2 PRO 116 HB1 PRO 116 8.586 -10.733 3.854 933 HB3 PRO 116 HB2 PRO 116 8.896 -11.602 2.319 934 HG2 PRO 116 HG1 PRO 116 8.663 -8.606 2.738 935 HG3 PRO 116 HG2 PRO 116 9.962 -9.503 1.872 936 HD2 PRO 116 HD1 PRO 116 7.919 -8.378 0.502 937 HD3 PRO 116 HD2 PRO 116 8.497 -10.014 0.057 938 H VAL 117 H VAL 117 5.741 -12.163 4.248 939 HA VAL 117 HA VAL 117 4.339 -9.990 5.617 940 HB VAL 117 HB VAL 117 4.725 -12.943 6.245 941 HG11 VAL 117 HG11 VAL 117 3.113 -10.811 7.696 942 HG12 VAL 117 HG12 VAL 117 2.903 -12.562 7.930 943 HG13 VAL 117 HG13 VAL 117 4.436 -11.806 8.358 944 HG21 VAL 117 HG21 VAL 117 2.317 -11.320 5.285 945 HG22 VAL 117 HG22 VAL 117 3.239 -12.490 4.307 946 HG23 VAL 117 HG23 VAL 117 2.285 -13.043 5.693 947 H GLU 118 H GLU 118 5.067 -8.832 7.329 948 HA GLU 118 HA GLU 118 7.395 -9.747 8.963 949 HB2 GLU 118 HB1 GLU 118 6.904 -6.994 7.775 950 HB3 GLU 118 HB2 GLU 118 7.984 -7.312 9.162 951 HG2 GLU 118 HG1 GLU 118 9.207 -8.948 7.587 952 HG3 GLU 118 HG2 GLU 118 8.334 -8.142 6.276 953 H ALA 119 H ALA 119 7.435 -8.879 11.116 954 HA ALA 119 HA ALA 119 4.859 -7.899 12.241 955 HB1 ALA 119 HB1 ALA 119 7.491 -8.723 13.556 956 HB2 ALA 119 HB2 ALA 119 6.021 -8.210 14.407 957 HB3 ALA 119 HB3 ALA 119 6.016 -9.715 13.455 958 H ARG 120 H ARG 120 4.830 -5.879 11.183 959 HA ARG 120 HA ARG 120 6.673 -3.776 12.077 960 HB2 ARG 120 HB1 ARG 120 7.697 -5.292 10.248 961 HB3 ARG 120 HB2 ARG 120 6.593 -4.517 9.126 962 HG2 ARG 120 HG1 ARG 120 7.728 -2.413 9.345 963 HG3 ARG 120 HG2 ARG 120 8.491 -2.900 10.887 964 HD2 ARG 120 HD1 ARG 120 9.776 -4.636 9.758 965 HD3 ARG 120 HD2 ARG 120 9.016 -4.252 8.208 966 HE ARG 120 HE ARG 120 10.320 -1.923 9.195 967 HH11 ARG 120 HH12 ARG 120 11.145 -5.160 8.088 968 HH12 ARG 120 HH11 ARG 120 12.533 -4.648 7.239 969 HH21 ARG 120 HH22 ARG 120 12.264 -1.331 8.194 970 HH22 ARG 120 HH21 ARG 120 13.337 -2.585 7.609 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 21.263 -3.243 -7.747 2 H2 GLY 1 2H GLY 1 21.081 -4.602 -8.641 3 H3 GLY 1 3H GLY 1 21.587 -4.715 -7.070 4 HA2 GLY 1 HA3 GLY 1 19.295 -5.367 -7.224 5 HA3 GLY 1 HA2 GLY 1 19.472 -3.861 -6.295 6 H SER 2 H SER 2 17.115 -3.883 -7.002 7 HA SER 2 HA SER 2 16.137 -1.886 -8.500 8 HB2 SER 2 HB1 SER 2 16.503 -4.324 -10.255 9 HB3 SER 2 HB2 SER 2 15.169 -3.160 -10.500 10 HG SER 2 HG SER 2 17.947 -2.614 -10.516 11 H PHE 3 H PHE 3 13.625 -2.758 -9.183 12 HA PHE 3 HA PHE 3 11.741 -3.766 -8.562 13 HB2 PHE 3 HB1 PHE 3 13.317 -5.772 -6.954 14 HB3 PHE 3 HB2 PHE 3 11.696 -5.946 -7.656 15 HD1 PHE 3 HD1 PHE 3 11.459 -5.918 -10.211 16 HD2 PHE 3 HD2 PHE 3 15.265 -6.319 -8.232 17 HE1 PHE 3 HE1 PHE 3 12.451 -6.823 -12.296 18 HE2 PHE 3 HE2 PHE 3 16.250 -7.256 -10.317 19 HZ PHE 3 HZ PHE 3 14.842 -7.495 -12.354 20 H THR 4 H THR 4 11.525 -5.054 -5.715 21 HA THR 4 HA THR 4 10.984 -2.471 -4.377 22 HB THR 4 HB THR 4 8.940 -2.816 -5.344 23 HG1 THR 4 HG1 THR 4 8.659 -4.457 -3.068 24 HG21 THR 4 HG21 THR 4 9.171 -5.822 -4.874 25 HG22 THR 4 HG22 THR 4 9.163 -4.973 -6.439 26 HG23 THR 4 HG23 THR 4 7.704 -4.995 -5.447 27 H GLU 5 H GLU 5 11.290 -2.335 -2.365 28 HA GLU 5 HA GLU 5 11.595 -4.626 -0.509 29 HB2 GLU 5 HB1 GLU 5 11.468 -1.619 -0.054 30 HB3 GLU 5 HB2 GLU 5 11.830 -2.820 1.182 31 HG2 GLU 5 HG1 GLU 5 13.521 -2.269 -1.289 32 HG3 GLU 5 HG2 GLU 5 13.803 -1.561 0.311 33 H GLY 6 H GLY 6 9.709 -5.446 0.462 34 HA2 GLY 6 HA3 GLY 6 7.724 -3.622 1.467 35 HA3 GLY 6 HA2 GLY 6 7.097 -4.536 0.076 36 H TRP 7 H TRP 7 5.857 -4.718 2.507 37 HA TRP 7 HA TRP 7 5.971 -7.557 3.007 38 HB2 TRP 7 HB1 TRP 7 6.401 -7.528 5.365 39 HB3 TRP 7 HB2 TRP 7 7.795 -6.954 4.468 40 HD1 TRP 7 HD TRP 7 5.285 -5.994 7.091 41 HE1 TRP 7 HE1 TRP 7 6.173 -4.007 8.426 42 HE3 TRP 7 3HE TRP 7 9.133 -4.613 4.009 43 HZ2 TRP 7 HZ2 TRP 7 8.169 -1.941 8.102 44 HZ3 TRP 7 HZ3 TRP 7 10.535 -2.656 4.568 45 HH2 TRP 7 HH TRP 7 10.065 -1.302 6.594 46 H VAL 8 H VAL 8 4.327 -8.377 4.378 47 HA VAL 8 HA VAL 8 2.055 -6.482 4.983 48 HB VAL 8 HB VAL 8 1.966 -9.504 4.619 49 HG11 VAL 8 HG11 VAL 8 0.391 -8.853 6.372 50 HG12 VAL 8 HG12 VAL 8 -0.212 -7.506 5.385 51 HG13 VAL 8 HG13 VAL 8 -0.515 -9.187 4.893 52 HG21 VAL 8 HG21 VAL 8 0.852 -7.211 2.938 53 HG22 VAL 8 HG22 VAL 8 2.105 -8.371 2.458 54 HG23 VAL 8 HG23 VAL 8 0.443 -8.910 2.715 55 H ARG 9 H ARG 9 1.668 -6.103 7.128 56 HA ARG 9 HA ARG 9 3.842 -6.976 8.820 57 HB2 ARG 9 HB1 ARG 9 3.574 -5.072 9.896 58 HB3 ARG 9 HB2 ARG 9 2.644 -4.635 8.459 59 HG2 ARG 9 HG1 ARG 9 0.547 -5.243 9.729 60 HG3 ARG 9 HG2 ARG 9 1.560 -5.478 11.181 61 HD2 ARG 9 HD1 ARG 9 2.447 -3.129 10.811 62 HD3 ARG 9 HD2 ARG 9 1.153 -2.937 9.612 63 HE ARG 9 HE ARG 9 -0.470 -3.214 11.403 64 HH11 ARG 9 HH12 ARG 9 2.833 -3.134 12.696 65 HH12 ARG 9 HH11 ARG 9 2.347 -2.623 14.231 66 HH21 ARG 9 HH22 ARG 9 -1.075 -2.574 13.492 67 HH22 ARG 9 HH21 ARG 9 0.173 -2.299 14.683 68 H PHE 10 H PHE 10 1.090 -8.601 8.371 69 HA PHE 10 HA PHE 10 -0.249 -10.034 9.420 70 HB2 PHE 10 HB1 PHE 10 1.496 -11.329 10.034 71 HB3 PHE 10 HB2 PHE 10 2.158 -10.146 11.166 72 HD1 PHE 10 HD1 PHE 10 -1.061 -12.173 10.979 73 HD2 PHE 10 HD2 PHE 10 2.344 -10.866 13.270 74 HE1 PHE 10 HE1 PHE 10 -1.891 -13.421 12.932 75 HE2 PHE 10 HE2 PHE 10 1.589 -12.226 15.173 76 HZ PHE 10 HZ PHE 10 -0.563 -13.474 15.041 77 H SER 11 H SER 11 -1.894 -10.319 10.820 78 HA SER 11 HA SER 11 -2.013 -9.142 13.387 79 HB2 SER 11 HB1 SER 11 -2.970 -7.250 12.036 80 HB3 SER 11 HB2 SER 11 -4.197 -8.390 11.411 81 HG SER 11 HG SER 11 -5.004 -7.186 13.082 82 HA PRO 12 HA PRO 12 -4.642 -12.883 13.372 83 HB2 PRO 12 HB1 PRO 12 -5.239 -13.104 15.994 84 HB3 PRO 12 HB2 PRO 12 -3.555 -13.308 15.423 85 HG2 PRO 12 HG1 PRO 12 -4.828 -10.807 16.578 86 HG3 PRO 12 HG2 PRO 12 -3.276 -11.579 17.064 87 HD2 PRO 12 HD1 PRO 12 -3.429 -9.481 15.274 88 HD3 PRO 12 HD2 PRO 12 -2.177 -10.750 15.168 89 H GLY 13 H GLY 13 -5.642 -9.652 13.885 90 HA2 GLY 13 HA3 GLY 13 -8.385 -10.237 14.735 91 HA3 GLY 13 HA2 GLY 13 -7.647 -8.639 14.478 92 HA PRO 14 HA PRO 14 -10.554 -9.514 10.943 93 HB2 PRO 14 HB1 PRO 14 -12.126 -7.303 11.108 94 HB3 PRO 14 HB2 PRO 14 -12.355 -8.712 12.189 95 HG2 PRO 14 HG1 PRO 14 -10.806 -6.167 12.771 96 HG3 PRO 14 HG2 PRO 14 -12.079 -6.938 13.784 97 HD2 PRO 14 HD1 PRO 14 -9.414 -7.364 14.229 98 HD3 PRO 14 HD2 PRO 14 -10.614 -8.669 14.448 99 H ASN 15 H ASN 15 -8.192 -7.104 11.691 100 HA ASN 15 HA ASN 15 -7.859 -6.429 8.897 101 HB2 ASN 15 HB1 ASN 15 -7.920 -3.993 9.338 102 HB3 ASN 15 HB2 ASN 15 -9.490 -4.797 9.534 103 HD21 ASN 15 HD21 ASN 15 -9.967 -2.691 10.667 104 HD22 ASN 15 HD22 ASN 15 -9.549 -2.613 12.369 105 H ALA 16 H ALA 16 -6.015 -5.078 8.462 106 HA ALA 16 HA ALA 16 -3.761 -4.919 10.297 107 HB1 ALA 16 HB1 ALA 16 -3.625 -6.840 7.911 108 HB2 ALA 16 HB2 ALA 16 -2.311 -6.504 9.063 109 HB3 ALA 16 HB3 ALA 16 -3.763 -7.359 9.587 110 H ALA 17 H ALA 17 -1.680 -4.583 8.625 111 HA ALA 17 HA ALA 17 -2.429 -2.693 6.501 112 HB1 ALA 17 HB1 ALA 17 -1.129 -0.893 7.307 113 HB2 ALA 17 HB2 ALA 17 -1.983 -1.447 8.764 114 HB3 ALA 17 HB3 ALA 17 -0.297 -1.890 8.503 115 H ALA 18 H ALA 18 -0.701 -2.234 5.057 116 HA ALA 18 HA ALA 18 1.728 -3.917 5.107 117 HB1 ALA 18 HB1 ALA 18 -0.003 -5.325 4.069 118 HB2 ALA 18 HB2 ALA 18 -0.374 -4.039 2.898 119 HB3 ALA 18 HB3 ALA 18 1.213 -4.838 2.876 120 H TYR 19 H TYR 19 3.155 -3.514 3.316 121 HA TYR 19 HA TYR 19 3.223 -0.715 2.306 122 HB2 TYR 19 HB1 TYR 19 5.582 -1.926 3.741 123 HB3 TYR 19 HB2 TYR 19 5.253 -0.229 3.406 124 HD1 TYR 19 HD1 TYR 19 3.376 0.918 4.745 125 HD2 TYR 19 HD2 TYR 19 4.913 -2.976 5.714 126 HE1 TYR 19 HE1 TYR 19 2.260 1.039 6.972 127 HE2 TYR 19 HE2 TYR 19 3.894 -2.854 7.962 128 HH TYR 19 HH TYR 19 1.993 0.037 8.995 129 H LEU 20 H LEU 20 4.826 -0.389 0.647 130 HA LEU 20 HA LEU 20 6.581 -2.393 -0.279 131 HB2 LEU 20 HB1 LEU 20 5.571 -2.978 -2.427 132 HB3 LEU 20 HB2 LEU 20 4.640 -3.590 -1.045 133 HG LEU 20 HG LEU 20 3.207 -1.366 -1.493 134 HD11 LEU 20 HD11 LEU 20 4.624 -0.507 -3.361 135 HD12 LEU 20 HD12 LEU 20 2.987 -0.891 -3.892 136 HD13 LEU 20 HD13 LEU 20 4.321 -2.001 -4.266 137 HD21 LEU 20 HD21 LEU 20 3.018 -3.924 -3.136 138 HD22 LEU 20 HD22 LEU 20 1.715 -2.737 -2.918 139 HD23 LEU 20 HD23 LEU 20 2.318 -3.630 -1.524 140 H THR 21 H THR 21 7.799 -1.838 -2.082 141 HA THR 21 HA THR 21 7.891 1.072 -2.708 142 HB THR 21 HB THR 21 9.782 -1.170 -3.485 143 HG1 THR 21 HG1 THR 21 9.670 -0.830 -1.262 144 HG21 THR 21 HG21 THR 21 9.983 0.857 -4.956 145 HG22 THR 21 HG22 THR 21 11.389 0.658 -3.900 146 HG23 THR 21 HG23 THR 21 10.149 1.863 -3.489 147 H LEU 22 H LEU 22 7.410 1.864 -4.746 148 HA LEU 22 HA LEU 22 6.142 -0.023 -6.687 149 HB2 LEU 22 HB1 LEU 22 4.707 1.548 -5.220 150 HB3 LEU 22 HB2 LEU 22 5.384 2.876 -6.160 151 HG LEU 22 HG LEU 22 3.208 2.406 -6.949 152 HD11 LEU 22 HD11 LEU 22 4.917 1.054 -9.035 153 HD12 LEU 22 HD12 LEU 22 5.046 2.792 -8.666 154 HD13 LEU 22 HD13 LEU 22 3.515 2.108 -9.260 155 HD21 LEU 22 HD21 LEU 22 3.993 -0.514 -7.340 156 HD22 LEU 22 HD22 LEU 22 2.438 0.228 -7.767 157 HD23 LEU 22 HD23 LEU 22 2.927 0.129 -6.073 158 H GLU 23 H GLU 23 6.932 0.120 -8.740 159 HA GLU 23 HA GLU 23 8.545 2.491 -9.493 160 HB2 GLU 23 HB1 GLU 23 10.087 1.198 -10.726 161 HB3 GLU 23 HB2 GLU 23 10.070 0.652 -9.037 162 HG2 GLU 23 HG1 GLU 23 8.738 -1.350 -9.766 163 HG3 GLU 23 HG2 GLU 23 8.893 -0.798 -11.452 164 H ASN 24 H ASN 24 7.992 3.449 -11.270 165 HA ASN 24 HA ASN 24 6.304 2.056 -13.304 166 HB2 ASN 24 HB1 ASN 24 5.512 4.235 -12.470 167 HB3 ASN 24 HB2 ASN 24 7.043 4.984 -12.957 168 HD21 ASN 24 HD21 ASN 24 5.466 6.357 -14.136 169 HD22 ASN 24 HD22 ASN 24 5.021 5.835 -15.770 170 HA PRO 25 HA PRO 25 10.301 2.086 -15.499 171 HB2 PRO 25 HB1 PRO 25 9.947 -0.095 -17.080 172 HB3 PRO 25 HB2 PRO 25 10.172 -0.273 -15.312 173 HG2 PRO 25 HG1 PRO 25 7.548 -0.182 -16.844 174 HG3 PRO 25 HG2 PRO 25 8.077 -1.428 -15.662 175 HD2 PRO 25 HD1 PRO 25 6.493 0.698 -14.962 176 HD3 PRO 25 HD2 PRO 25 7.718 0.030 -13.848 177 H GLY 26 H GLY 26 7.140 2.803 -16.675 178 HA2 GLY 26 HA3 GLY 26 7.916 2.940 -19.508 179 HA3 GLY 26 HA2 GLY 26 6.316 3.267 -18.804 180 H ASP 27 H ASP 27 7.540 4.848 -20.786 181 HA ASP 27 HA ASP 27 8.477 7.341 -19.595 182 HB2 ASP 27 HB1 ASP 27 7.869 6.386 -22.398 183 HB3 ASP 27 HB2 ASP 27 8.282 8.085 -22.047 184 H LEU 28 H LEU 28 5.449 6.094 -19.587 185 HA LEU 28 HA LEU 28 4.213 8.797 -19.542 186 HB2 LEU 28 HB1 LEU 28 2.094 7.853 -20.128 187 HB3 LEU 28 HB2 LEU 28 3.330 7.447 -21.346 188 HG LEU 28 HG LEU 28 3.432 5.129 -20.173 189 HD11 LEU 28 HD11 LEU 28 0.827 6.233 -19.012 190 HD12 LEU 28 HD12 LEU 28 2.183 5.515 -18.123 191 HD13 LEU 28 HD13 LEU 28 1.183 4.494 -19.141 192 HD21 LEU 28 HD21 LEU 28 0.908 6.016 -21.642 193 HD22 LEU 28 HD22 LEU 28 1.501 4.345 -21.503 194 HD23 LEU 28 HD23 LEU 28 2.445 5.542 -22.399 195 HA PRO 29 HA PRO 29 3.803 8.155 -15.281 196 HB2 PRO 29 HB1 PRO 29 1.683 9.662 -14.491 197 HB3 PRO 29 HB2 PRO 29 3.148 10.373 -15.227 198 HG2 PRO 29 HG1 PRO 29 0.512 9.732 -16.551 199 HG3 PRO 29 HG2 PRO 29 1.518 11.212 -16.731 200 HD2 PRO 29 HD1 PRO 29 1.521 9.066 -18.503 201 HD3 PRO 29 HD2 PRO 29 2.914 10.140 -18.288 202 H LEU 30 H LEU 30 2.587 7.087 -13.502 203 HA LEU 30 HA LEU 30 0.316 5.327 -14.348 204 HB2 LEU 30 HB1 LEU 30 2.209 4.978 -12.037 205 HB3 LEU 30 HB2 LEU 30 0.821 3.938 -12.417 206 HG LEU 30 HG LEU 30 3.284 4.379 -14.040 207 HD11 LEU 30 HD11 LEU 30 3.474 2.913 -12.026 208 HD12 LEU 30 HD12 LEU 30 3.744 2.006 -13.532 209 HD13 LEU 30 HD13 LEU 30 2.173 1.901 -12.702 210 HD21 LEU 30 HD21 LEU 30 0.942 2.618 -14.789 211 HD22 LEU 30 HD22 LEU 30 2.549 2.591 -15.565 212 HD23 LEU 30 HD23 LEU 30 1.555 4.040 -15.683 213 H ARG 31 H ARG 31 -1.347 5.081 -12.958 214 HA ARG 31 HA ARG 31 -1.599 6.786 -10.548 215 HB2 ARG 31 HB1 ARG 31 -2.855 7.887 -12.442 216 HB3 ARG 31 HB2 ARG 31 -3.928 6.471 -12.452 217 HG2 ARG 31 HG1 ARG 31 -4.792 6.973 -10.320 218 HG3 ARG 31 HG2 ARG 31 -3.443 8.032 -9.889 219 HD2 ARG 31 HD1 ARG 31 -5.451 8.732 -12.041 220 HD3 ARG 31 HD2 ARG 31 -5.632 9.180 -10.321 221 HE ARG 31 HE ARG 31 -3.530 10.504 -10.535 222 HH11 ARG 31 HH12 ARG 31 -5.436 10.010 -13.467 223 HH12 ARG 31 HH11 ARG 31 -4.726 11.420 -14.219 224 HH21 ARG 31 HH22 ARG 31 -2.617 12.131 -11.555 225 HH22 ARG 31 HH21 ARG 31 -3.159 12.659 -13.117 226 H LEU 32 H LEU 32 -1.882 5.496 -8.909 227 HA LEU 32 HA LEU 32 -2.568 2.617 -9.240 228 HB2 LEU 32 HB1 LEU 32 -0.365 3.126 -8.348 229 HB3 LEU 32 HB2 LEU 32 -1.064 4.254 -7.159 230 HG LEU 32 HG LEU 32 -2.224 2.249 -6.100 231 HD11 LEU 32 HD11 LEU 32 -1.423 0.026 -6.570 232 HD12 LEU 32 HD12 LEU 32 -0.224 0.630 -7.740 233 HD13 LEU 32 HD13 LEU 32 -1.951 0.707 -8.107 234 HD21 LEU 32 HD21 LEU 32 -0.194 3.275 -5.146 235 HD22 LEU 32 HD22 LEU 32 0.824 2.253 -6.180 236 HD23 LEU 32 HD23 LEU 32 -0.185 1.518 -4.916 237 H VAL 33 H VAL 33 -4.584 2.071 -8.660 238 HA VAL 33 HA VAL 33 -6.176 4.034 -7.052 239 HB VAL 33 HB VAL 33 -8.136 3.347 -8.317 240 HG11 VAL 33 HG11 VAL 33 -7.578 4.282 -10.493 241 HG12 VAL 33 HG12 VAL 33 -6.691 5.160 -9.242 242 HG13 VAL 33 HG13 VAL 33 -5.854 3.965 -10.247 243 HG21 VAL 33 HG21 VAL 33 -8.078 1.848 -10.225 244 HG22 VAL 33 HG22 VAL 33 -6.352 1.542 -10.003 245 HG23 VAL 33 HG23 VAL 33 -7.527 0.960 -8.800 246 H GLY 34 H GLY 34 -4.960 0.824 -6.852 247 HA2 GLY 34 HA3 GLY 34 -5.973 0.386 -4.293 248 HA3 GLY 34 HA2 GLY 34 -7.105 -0.407 -5.412 249 H ALA 35 H ALA 35 -6.485 -2.396 -4.360 250 HA ALA 35 HA ALA 35 -4.339 -3.695 -5.808 251 HB1 ALA 35 HB1 ALA 35 -3.427 -4.629 -3.531 252 HB2 ALA 35 HB2 ALA 35 -2.994 -2.963 -3.954 253 HB3 ALA 35 HB3 ALA 35 -4.285 -3.291 -2.786 254 H ARG 36 H ARG 36 -4.233 -6.200 -4.886 255 HA ARG 36 HA ARG 36 -6.737 -7.163 -3.770 256 HB2 ARG 36 HB1 ARG 36 -5.995 -7.678 -6.673 257 HB3 ARG 36 HB2 ARG 36 -6.809 -8.956 -5.730 258 HG2 ARG 36 HG1 ARG 36 -7.903 -6.239 -6.463 259 HG3 ARG 36 HG2 ARG 36 -8.431 -7.844 -7.013 260 HD2 ARG 36 HD1 ARG 36 -8.606 -8.067 -4.254 261 HD3 ARG 36 HD2 ARG 36 -9.003 -6.360 -4.471 262 HE ARG 36 HE ARG 36 -10.637 -7.741 -6.270 263 HH11 ARG 36 HH12 ARG 36 -10.275 -7.662 -2.670 264 HH12 ARG 36 HH11 ARG 36 -11.859 -8.343 -2.496 265 HH21 ARG 36 HH22 ARG 36 -12.772 -8.593 -5.710 266 HH22 ARG 36 HH21 ARG 36 -13.119 -8.788 -3.993 267 H THR 37 H THR 37 -6.448 -9.334 -2.976 268 HA THR 37 HA THR 37 -3.830 -10.624 -3.200 269 HB THR 37 HB THR 37 -3.206 -8.824 -1.763 270 HG1 THR 37 HG1 THR 37 -2.393 -10.718 -1.202 271 HG21 THR 37 HG21 THR 37 -5.568 -9.542 0.032 272 HG22 THR 37 HG22 THR 37 -5.347 -8.021 -0.855 273 HG23 THR 37 HG23 THR 37 -4.240 -8.444 0.456 274 HA PRO 38 HA PRO 38 -6.723 -13.800 -1.700 275 HB2 PRO 38 HB1 PRO 38 -5.136 -15.859 -0.960 276 HB3 PRO 38 HB2 PRO 38 -5.274 -15.259 -2.652 277 HG2 PRO 38 HG1 PRO 38 -3.111 -14.577 -0.668 278 HG3 PRO 38 HG2 PRO 38 -2.913 -15.218 -2.341 279 HD2 PRO 38 HD1 PRO 38 -2.848 -12.541 -1.772 280 HD3 PRO 38 HD2 PRO 38 -3.534 -13.153 -3.295 281 H VAL 39 H VAL 39 -4.539 -12.260 0.396 282 HA VAL 39 HA VAL 39 -5.630 -13.605 2.821 283 HB VAL 39 HB VAL 39 -3.939 -12.679 4.145 284 HG11 VAL 39 HG11 VAL 39 -2.030 -13.643 3.168 285 HG12 VAL 39 HG12 VAL 39 -3.409 -14.530 2.510 286 HG13 VAL 39 HG13 VAL 39 -2.585 -13.314 1.506 287 HG21 VAL 39 HG21 VAL 39 -2.235 -11.057 3.258 288 HG22 VAL 39 HG22 VAL 39 -3.271 -10.808 1.844 289 HG23 VAL 39 HG23 VAL 39 -3.842 -10.354 3.456 290 H ALA 40 H ALA 40 -6.750 -10.927 1.174 291 HA ALA 40 HA ALA 40 -8.330 -10.040 3.468 292 HB1 ALA 40 HB1 ALA 40 -7.665 -7.681 3.278 293 HB2 ALA 40 HB2 ALA 40 -6.249 -8.672 3.677 294 HB3 ALA 40 HB3 ALA 40 -6.487 -8.089 2.015 295 H GLU 41 H GLU 41 -10.161 -8.712 2.816 296 HA GLU 41 HA GLU 41 -10.914 -9.204 -0.027 297 HB2 GLU 41 HB1 GLU 41 -12.380 -10.015 1.758 298 HB3 GLU 41 HB2 GLU 41 -12.564 -8.374 2.396 299 HG2 GLU 41 HG1 GLU 41 -14.499 -9.098 1.043 300 HG3 GLU 41 HG2 GLU 41 -13.708 -7.670 0.362 301 H ARG 42 H ARG 42 -11.576 -6.531 2.261 302 HA ARG 42 HA ARG 42 -11.427 -4.580 0.068 303 HB2 ARG 42 HB1 ARG 42 -13.059 -4.770 2.194 304 HB3 ARG 42 HB2 ARG 42 -11.827 -3.747 2.927 305 HG2 ARG 42 HG1 ARG 42 -12.096 -2.110 1.060 306 HG3 ARG 42 HG2 ARG 42 -13.341 -3.171 0.343 307 HD2 ARG 42 HD1 ARG 42 -14.589 -3.037 2.534 308 HD3 ARG 42 HD2 ARG 42 -13.448 -1.816 3.066 309 HE ARG 42 HE ARG 42 -15.388 -1.615 0.784 310 HH11 ARG 42 HH12 ARG 42 -13.238 0.192 2.958 311 HH12 ARG 42 HH11 ARG 42 -13.991 1.676 2.642 312 HH21 ARG 42 HH22 ARG 42 -16.300 0.373 0.368 313 HH22 ARG 42 HH21 ARG 42 -15.764 1.784 1.249 314 H VAL 43 H VAL 43 -9.458 -4.067 -0.515 315 HA VAL 43 HA VAL 43 -7.448 -3.334 1.556 316 HB VAL 43 HB VAL 43 -6.442 -5.158 0.501 317 HG11 VAL 43 HG11 VAL 43 -6.005 -5.324 -1.901 318 HG12 VAL 43 HG12 VAL 43 -7.747 -5.302 -1.582 319 HG13 VAL 43 HG13 VAL 43 -6.937 -3.834 -2.178 320 HG21 VAL 43 HG21 VAL 43 -5.022 -3.105 0.918 321 HG22 VAL 43 HG22 VAL 43 -4.389 -4.183 -0.344 322 HG23 VAL 43 HG23 VAL 43 -5.218 -2.673 -0.779 323 H GLU 44 H GLU 44 -6.920 -1.341 1.667 324 HA GLU 44 HA GLU 44 -8.003 0.599 -0.361 325 HB2 GLU 44 HB1 GLU 44 -8.316 0.534 2.666 326 HB3 GLU 44 HB2 GLU 44 -8.766 1.913 1.632 327 HG2 GLU 44 HG1 GLU 44 -10.385 0.516 0.439 328 HG3 GLU 44 HG2 GLU 44 -9.915 -0.902 1.402 329 H LEU 45 H LEU 45 -6.504 2.073 -0.986 330 HA LEU 45 HA LEU 45 -4.016 2.250 0.476 331 HB2 LEU 45 HB1 LEU 45 -4.342 2.174 -2.041 332 HB3 LEU 45 HB2 LEU 45 -4.880 3.848 -1.963 333 HG LEU 45 HG LEU 45 -2.260 3.091 -0.609 334 HD11 LEU 45 HD11 LEU 45 -1.024 3.372 -2.677 335 HD12 LEU 45 HD12 LEU 45 -2.547 3.520 -3.606 336 HD13 LEU 45 HD13 LEU 45 -2.128 1.997 -2.810 337 HD21 LEU 45 HD21 LEU 45 -1.620 5.320 -1.359 338 HD22 LEU 45 HD22 LEU 45 -3.171 5.410 -0.524 339 HD23 LEU 45 HD23 LEU 45 -3.128 5.455 -2.312 340 H HIS 46 H HIS 46 -3.555 3.513 1.998 341 HA HIS 46 HA HIS 46 -5.063 6.002 2.525 342 HB2 HIS 46 HB1 HIS 46 -3.726 3.950 4.275 343 HB3 HIS 46 HB2 HIS 46 -3.889 5.619 4.864 344 HD2 HIS 46 HD2 HIS 46 -6.787 3.606 3.099 345 HE1 HIS 46 HE1 HIS 46 -7.984 4.598 7.037 346 HE2 HIS 46 HE2 HIS 46 -8.671 3.436 4.871 347 H GLU 47 H GLU 47 -4.002 7.708 3.411 348 HA GLU 47 HA GLU 47 -1.183 8.231 2.579 349 HB2 GLU 47 HB1 GLU 47 -1.821 10.595 2.592 350 HB3 GLU 47 HB2 GLU 47 -2.844 9.686 1.467 351 HG2 GLU 47 HG1 GLU 47 -4.719 9.795 2.908 352 HG3 GLU 47 HG2 GLU 47 -3.757 10.258 4.321 353 H THR 48 H THR 48 -0.301 10.099 4.021 354 HA THR 48 HA THR 48 -1.539 10.304 6.696 355 HB THR 48 HB THR 48 1.480 10.282 6.343 356 HG1 THR 48 HG1 THR 48 -0.306 8.361 6.543 357 HG21 THR 48 HG21 THR 48 1.462 10.271 8.821 358 HG22 THR 48 HG22 THR 48 -0.314 10.385 8.818 359 HG23 THR 48 HG23 THR 48 0.671 11.725 8.187 360 H PHE 49 H PHE 49 -2.491 12.248 6.187 361 HA PHE 49 HA PHE 49 -1.094 14.305 4.658 362 HB2 PHE 49 HB1 PHE 49 -3.024 15.719 5.176 363 HB3 PHE 49 HB2 PHE 49 -3.510 14.178 4.477 364 HD1 PHE 49 HD1 PHE 49 -3.471 16.237 7.577 365 HD2 PHE 49 HD2 PHE 49 -4.809 12.565 5.779 366 HE1 PHE 49 HE1 PHE 49 -4.991 15.862 9.488 367 HE2 PHE 49 HE2 PHE 49 -6.310 12.172 7.707 368 HZ PHE 49 HZ PHE 49 -6.418 13.822 9.543 369 H MET 50 H MET 50 -0.376 16.272 5.460 370 HA MET 50 HA MET 50 -0.265 16.627 8.426 371 HB2 MET 50 HB1 MET 50 1.382 18.297 8.220 372 HB3 MET 50 HB2 MET 50 1.958 16.868 7.352 373 HG2 MET 50 HG1 MET 50 1.504 17.907 5.222 374 HG3 MET 50 HG2 MET 50 0.640 19.257 5.989 375 HE1 MET 50 HE1 MET 50 5.209 18.625 5.886 376 HE2 MET 50 HE2 MET 50 4.139 17.463 6.706 377 HE3 MET 50 HE3 MET 50 4.005 17.713 4.952 378 H ARG 51 H ARG 51 -0.948 18.634 9.266 379 HA ARG 51 HA ARG 51 -2.134 20.779 7.884 380 HB2 ARG 51 HB1 ARG 51 -3.946 18.490 8.431 381 HB3 ARG 51 HB2 ARG 51 -4.546 20.044 9.061 382 HG2 ARG 51 HG1 ARG 51 -5.047 20.827 7.028 383 HG3 ARG 51 HG2 ARG 51 -3.530 20.275 6.302 384 HD2 ARG 51 HD1 ARG 51 -4.495 17.949 6.213 385 HD3 ARG 51 HD2 ARG 51 -6.041 18.626 6.767 386 HE ARG 51 HE ARG 51 -6.391 19.531 4.659 387 HH11 ARG 51 HH12 ARG 51 -3.011 18.485 4.791 388 HH12 ARG 51 HH11 ARG 51 -2.826 18.553 3.063 389 HH21 ARG 51 HH22 ARG 51 -6.044 19.690 2.424 390 HH22 ARG 51 HH21 ARG 51 -4.481 19.308 1.765 391 H GLU 52 H GLU 52 -3.181 22.301 9.350 392 HA GLU 52 HA GLU 52 -2.184 22.109 12.157 393 HB2 GLU 52 HB1 GLU 52 -2.808 24.387 10.308 394 HB3 GLU 52 HB2 GLU 52 -2.976 24.591 12.080 395 HG2 GLU 52 HG1 GLU 52 -0.781 25.310 11.387 396 HG3 GLU 52 HG2 GLU 52 -0.656 23.876 12.410 397 H VAL 53 H VAL 53 -3.630 22.598 13.804 398 HA VAL 53 HA VAL 53 -6.558 22.414 13.218 399 HB VAL 53 HB VAL 53 -5.221 20.666 15.287 400 HG11 VAL 53 HG11 VAL 53 -7.465 19.615 15.455 401 HG12 VAL 53 HG12 VAL 53 -7.547 21.322 15.887 402 HG13 VAL 53 HG13 VAL 53 -8.111 20.789 14.291 403 HG21 VAL 53 HG21 VAL 53 -5.895 18.751 13.850 404 HG22 VAL 53 HG22 VAL 53 -6.415 19.883 12.586 405 HG23 VAL 53 HG23 VAL 53 -4.703 19.772 13.047 406 H GLU 54 H GLU 54 -5.371 22.144 16.394 407 HA GLU 54 HA GLU 54 -6.398 24.718 17.289 408 HB2 GLU 54 HB1 GLU 54 -6.411 22.552 18.570 409 HB3 GLU 54 HB2 GLU 54 -4.650 22.702 18.723 410 HG2 GLU 54 HG1 GLU 54 -5.410 25.104 19.756 411 HG3 GLU 54 HG2 GLU 54 -6.878 24.178 20.122 412 H GLY 55 H GLY 55 -4.815 25.560 15.391 413 HA2 GLY 55 HA3 GLY 55 -3.104 26.958 14.809 414 HA3 GLY 55 HA2 GLY 55 -2.700 27.112 16.534 415 H LYS 56 H LYS 56 -2.348 24.023 16.436 416 HA LYS 56 HA LYS 56 0.554 24.159 15.988 417 HB2 LYS 56 HB1 LYS 56 -1.340 22.340 17.531 418 HB3 LYS 56 HB2 LYS 56 0.411 22.065 17.447 419 HG2 LYS 56 HG1 LYS 56 0.881 24.127 18.567 420 HG3 LYS 56 HG2 LYS 56 -0.798 24.680 18.454 421 HD2 LYS 56 HD1 LYS 56 0.226 22.392 20.170 422 HD3 LYS 56 HD2 LYS 56 -0.295 24.014 20.711 423 HE2 LYS 56 HE1 LYS 56 -2.550 23.451 19.605 424 HE3 LYS 56 HE2 LYS 56 -1.996 21.776 19.539 425 HZ1 LYS 56 HZ1 LYS 56 -2.623 23.438 21.885 426 HZ2 LYS 56 HZ2 LYS 56 -1.722 22.026 22.068 427 HZ3 LYS 56 HZ3 LYS 56 -3.276 22.090 21.476 428 H LYS 57 H LYS 57 1.740 22.469 15.007 429 HA LYS 57 HA LYS 57 0.684 21.388 12.563 430 HB2 LYS 57 HB1 LYS 57 3.123 20.490 14.133 431 HB3 LYS 57 HB2 LYS 57 2.829 20.199 12.418 432 HG2 LYS 57 HG1 LYS 57 3.427 22.865 13.750 433 HG3 LYS 57 HG2 LYS 57 4.564 21.883 12.798 434 HD2 LYS 57 HD1 LYS 57 2.088 23.292 11.754 435 HD3 LYS 57 HD2 LYS 57 3.773 23.818 11.536 436 HE2 LYS 57 HE1 LYS 57 4.254 21.858 10.166 437 HE3 LYS 57 HE2 LYS 57 2.638 21.179 10.523 438 HZ1 LYS 57 HZ1 LYS 57 1.638 22.987 9.374 439 HZ2 LYS 57 HZ2 LYS 57 2.675 22.245 8.352 440 HZ3 LYS 57 HZ3 LYS 57 3.044 23.710 9.045 441 H VAL 58 H VAL 58 -0.462 19.552 12.188 442 HA VAL 58 HA VAL 58 -0.193 17.211 14.035 443 HB VAL 58 HB VAL 58 -2.709 18.215 12.661 444 HG11 VAL 58 HG11 VAL 58 -3.873 16.402 13.953 445 HG12 VAL 58 HG12 VAL 58 -2.821 15.800 12.681 446 HG13 VAL 58 HG13 VAL 58 -2.280 15.741 14.379 447 HG21 VAL 58 HG21 VAL 58 -2.238 19.564 14.649 448 HG22 VAL 58 HG22 VAL 58 -3.571 18.471 15.013 449 HG23 VAL 58 HG23 VAL 58 -1.944 18.099 15.613 450 H MET 59 H MET 59 -0.306 15.163 12.993 451 HA MET 59 HA MET 59 -0.661 15.091 10.072 452 HB2 MET 59 HB1 MET 59 1.644 13.879 11.571 453 HB3 MET 59 HB2 MET 59 0.987 13.054 10.131 454 HG2 MET 59 HG1 MET 59 1.439 14.855 8.716 455 HG3 MET 59 HG2 MET 59 1.680 15.992 10.043 456 HE1 MET 59 HE1 MET 59 3.704 14.356 11.990 457 HE2 MET 59 HE2 MET 59 5.139 15.230 11.421 458 HE3 MET 59 HE3 MET 59 3.572 16.079 11.588 459 H GLY 60 H GLY 60 -1.916 13.343 9.370 460 HA2 GLY 60 HA3 GLY 60 -2.699 11.246 11.277 461 HA3 GLY 60 HA2 GLY 60 -3.985 12.384 10.817 462 H MET 61 H MET 61 -4.171 9.649 10.296 463 HA MET 61 HA MET 61 -3.487 9.252 7.443 464 HB2 MET 61 HB1 MET 61 -4.475 7.351 9.589 465 HB3 MET 61 HB2 MET 61 -4.169 6.905 7.882 466 HG2 MET 61 HG1 MET 61 -2.232 6.269 8.962 467 HG3 MET 61 HG2 MET 61 -1.813 7.797 8.199 468 HE1 MET 61 HE1 MET 61 0.500 7.774 11.275 469 HE2 MET 61 HE2 MET 61 0.015 6.388 10.265 470 HE3 MET 61 HE3 MET 61 0.353 7.962 9.515 471 H ARG 62 H ARG 62 -4.938 8.304 5.985 472 HA ARG 62 HA ARG 62 -7.838 8.500 6.255 473 HB2 ARG 62 HB1 ARG 62 -6.206 10.723 5.212 474 HB3 ARG 62 HB2 ARG 62 -7.365 10.143 3.999 475 HG2 ARG 62 HG1 ARG 62 -9.214 10.453 5.549 476 HG3 ARG 62 HG2 ARG 62 -8.088 10.972 6.825 477 HD2 ARG 62 HD1 ARG 62 -7.323 12.814 5.238 478 HD3 ARG 62 HD2 ARG 62 -8.676 12.390 4.190 479 HE ARG 62 HE ARG 62 -8.721 13.721 6.803 480 HH11 ARG 62 HH12 ARG 62 -10.745 12.070 4.444 481 HH12 ARG 62 HH11 ARG 62 -12.237 12.520 5.228 482 HH21 ARG 62 HH22 ARG 62 -10.664 14.275 7.793 483 HH22 ARG 62 HH21 ARG 62 -12.185 13.740 7.133 484 HA PRO 63 HA PRO 63 -6.996 5.981 2.484 485 HB2 PRO 63 HB1 PRO 63 -9.644 5.838 1.584 486 HB3 PRO 63 HB2 PRO 63 -8.757 4.594 2.483 487 HG2 PRO 63 HG1 PRO 63 -10.907 6.240 3.418 488 HG3 PRO 63 HG2 PRO 63 -9.994 4.991 4.340 489 HD2 PRO 63 HD1 PRO 63 -9.796 7.950 4.407 490 HD3 PRO 63 HD2 PRO 63 -9.197 6.766 5.583 491 H VAL 64 H VAL 64 -6.962 6.442 0.307 492 HA VAL 64 HA VAL 64 -7.985 9.121 -0.577 493 HB VAL 64 HB VAL 64 -6.030 9.120 -2.212 494 HG11 VAL 64 HG11 VAL 64 -5.393 9.432 0.745 495 HG12 VAL 64 HG12 VAL 64 -4.497 10.167 -0.603 496 HG13 VAL 64 HG13 VAL 64 -6.174 10.647 -0.290 497 HG21 VAL 64 HG21 VAL 64 -5.282 6.758 -1.882 498 HG22 VAL 64 HG22 VAL 64 -3.990 7.948 -1.652 499 HG23 VAL 64 HG23 VAL 64 -4.741 7.195 -0.240 500 HA PRO 65 HA PRO 65 -9.826 6.781 -3.890 501 HB2 PRO 65 HB1 PRO 65 -9.940 8.567 -5.948 502 HB3 PRO 65 HB2 PRO 65 -10.940 8.732 -4.473 503 HG2 PRO 65 HG1 PRO 65 -8.285 10.075 -5.071 504 HG3 PRO 65 HG2 PRO 65 -9.811 10.850 -4.509 505 HD2 PRO 65 HD1 PRO 65 -7.841 10.170 -2.760 506 HD3 PRO 65 HD2 PRO 65 -9.563 9.947 -2.332 507 H PHE 66 H PHE 66 -6.525 7.971 -4.115 508 HA PHE 66 HA PHE 66 -5.562 5.799 -5.539 509 HB2 PHE 66 HB1 PHE 66 -4.852 6.866 -7.649 510 HB3 PHE 66 HB2 PHE 66 -6.589 6.611 -7.556 511 HD1 PHE 66 HD2 PHE 66 -3.893 9.191 -7.374 512 HD2 PHE 66 HD1 PHE 66 -8.125 8.443 -7.746 513 HE1 PHE 66 HE2 PHE 66 -4.250 11.553 -7.983 514 HE2 PHE 66 HE1 PHE 66 -8.480 10.817 -8.381 515 HZ PHE 66 HZ PHE 66 -6.541 12.380 -8.503 516 H LEU 67 H LEU 67 -3.347 5.999 -6.017 517 HA LEU 67 HA LEU 67 -1.903 8.445 -5.170 518 HB2 LEU 67 HB1 LEU 67 -1.336 5.608 -4.610 519 HB3 LEU 67 HB2 LEU 67 0.004 6.358 -5.500 520 HG LEU 67 HG LEU 67 -1.179 7.307 -2.864 521 HD11 LEU 67 HD11 LEU 67 1.115 6.602 -2.044 522 HD12 LEU 67 HD12 LEU 67 1.521 6.051 -3.671 523 HD13 LEU 67 HD13 LEU 67 0.244 5.236 -2.753 524 HD21 LEU 67 HD21 LEU 67 -0.339 9.298 -4.043 525 HD22 LEU 67 HD22 LEU 67 1.135 8.434 -4.543 526 HD23 LEU 67 HD23 LEU 67 0.858 8.841 -2.838 527 H GLU 68 H GLU 68 0.230 8.557 -6.654 528 HA GLU 68 HA GLU 68 -0.048 7.333 -9.253 529 HB2 GLU 68 HB1 GLU 68 -0.414 9.204 -10.597 530 HB3 GLU 68 HB2 GLU 68 -1.678 9.242 -9.358 531 HG2 GLU 68 HG1 GLU 68 -0.323 10.997 -8.142 532 HG3 GLU 68 HG2 GLU 68 0.824 10.966 -9.508 533 H VAL 69 H VAL 69 1.666 8.078 -10.754 534 HA VAL 69 HA VAL 69 4.139 8.673 -9.262 535 HB VAL 69 HB VAL 69 3.878 6.086 -10.884 536 HG11 VAL 69 HG11 VAL 69 5.893 6.935 -8.772 537 HG12 VAL 69 HG12 VAL 69 5.864 5.362 -9.597 538 HG13 VAL 69 HG13 VAL 69 6.182 6.831 -10.519 539 HG21 VAL 69 HG21 VAL 69 3.464 6.280 -7.882 540 HG22 VAL 69 HG22 VAL 69 2.290 5.723 -9.098 541 HG23 VAL 69 HG23 VAL 69 3.738 4.778 -8.782 542 HA PRO 70 HA PRO 70 5.049 10.228 -13.362 543 HB2 PRO 70 HB1 PRO 70 7.649 11.010 -13.104 544 HB3 PRO 70 HB2 PRO 70 6.288 11.871 -12.326 545 HG2 PRO 70 HG1 PRO 70 8.108 9.767 -11.106 546 HG3 PRO 70 HG2 PRO 70 7.671 11.374 -10.424 547 HD2 PRO 70 HD1 PRO 70 6.372 9.081 -9.687 548 HD3 PRO 70 HD2 PRO 70 5.501 10.634 -9.852 549 HA PRO 71 HA PRO 71 7.127 7.005 -15.697 550 HB2 PRO 71 HB1 PRO 71 8.552 8.493 -17.557 551 HB3 PRO 71 HB2 PRO 71 6.827 7.995 -17.624 552 HG2 PRO 71 HG1 PRO 71 7.962 10.653 -16.887 553 HG3 PRO 71 HG2 PRO 71 6.413 10.249 -17.740 554 HD2 PRO 71 HD1 PRO 71 6.557 10.954 -15.088 555 HD3 PRO 71 HD2 PRO 71 5.294 9.902 -15.770 556 H LYS 72 H LYS 72 8.920 5.779 -15.609 557 HA LYS 72 HA LYS 72 10.882 4.948 -14.825 558 HB2 LYS 72 HB1 LYS 72 11.713 7.731 -15.559 559 HB3 LYS 72 HB2 LYS 72 12.876 6.602 -14.814 560 HG2 LYS 72 HG1 LYS 72 12.875 6.739 -17.319 561 HG3 LYS 72 HG2 LYS 72 12.822 5.126 -16.609 562 HD2 LYS 72 HD1 LYS 72 10.374 5.063 -17.107 563 HD3 LYS 72 HD2 LYS 72 10.497 6.628 -17.907 564 HE2 LYS 72 HE1 LYS 72 12.017 4.103 -18.712 565 HE3 LYS 72 HE2 LYS 72 10.492 4.675 -19.454 566 HZ1 LYS 72 HZ1 LYS 72 11.678 6.685 -20.100 567 HZ2 LYS 72 HZ2 LYS 72 12.191 5.380 -20.822 568 HZ3 LYS 72 HZ3 LYS 72 13.118 6.036 -19.590 569 H GLY 73 H GLY 73 9.104 6.826 -13.084 570 HA2 GLY 73 HA3 GLY 73 10.646 7.440 -10.740 571 HA3 GLY 73 HA2 GLY 73 8.881 7.569 -10.914 572 H ARG 74 H ARG 74 11.350 6.068 -9.479 573 HA ARG 74 HA ARG 74 9.635 3.925 -8.313 574 HB2 ARG 74 HB1 ARG 74 12.489 4.641 -7.564 575 HB3 ARG 74 HB2 ARG 74 11.479 3.382 -6.801 576 HG2 ARG 74 HG1 ARG 74 11.291 2.603 -9.381 577 HG3 ARG 74 HG2 ARG 74 12.873 3.387 -9.461 578 HD2 ARG 74 HD1 ARG 74 13.746 1.894 -7.728 579 HD3 ARG 74 HD2 ARG 74 12.106 1.240 -7.429 580 HE ARG 74 HE ARG 74 12.334 -0.210 -9.138 581 HH11 ARG 74 HH12 ARG 74 14.908 2.142 -9.678 582 HH12 ARG 74 HH11 ARG 74 15.506 1.262 -11.062 583 HH21 ARG 74 HH22 ARG 74 12.924 -1.050 -11.054 584 HH22 ARG 74 HH21 ARG 74 14.412 -0.577 -11.821 585 H VAL 75 H VAL 75 8.544 4.202 -6.503 586 HA VAL 75 HA VAL 75 9.082 6.450 -4.641 587 HB VAL 75 HB VAL 75 6.699 7.026 -4.471 588 HG11 VAL 75 HG11 VAL 75 8.172 8.397 -5.905 589 HG12 VAL 75 HG12 VAL 75 7.729 7.410 -7.314 590 HG13 VAL 75 HG13 VAL 75 6.499 8.384 -6.487 591 HG21 VAL 75 HG21 VAL 75 5.648 4.977 -5.282 592 HG22 VAL 75 HG22 VAL 75 5.100 6.352 -6.241 593 HG23 VAL 75 HG23 VAL 75 6.312 5.236 -6.915 594 H GLU 76 H GLU 76 7.622 6.102 -2.568 595 HA GLU 76 HA GLU 76 7.781 3.193 -1.890 596 HB2 GLU 76 HB1 GLU 76 9.817 4.636 -1.489 597 HB3 GLU 76 HB2 GLU 76 8.844 5.588 -0.355 598 HG2 GLU 76 HG1 GLU 76 8.465 3.344 0.887 599 HG3 GLU 76 HG2 GLU 76 9.770 2.708 -0.132 600 H LEU 77 H LEU 77 5.944 2.465 -0.868 601 HA LEU 77 HA LEU 77 4.106 4.376 0.435 602 HB2 LEU 77 HB1 LEU 77 4.021 1.388 -0.045 603 HB3 LEU 77 HB2 LEU 77 2.918 2.219 1.094 604 HG LEU 77 HG LEU 77 2.231 3.703 -0.864 605 HD11 LEU 77 HD11 LEU 77 2.430 2.670 -3.123 606 HD12 LEU 77 HD12 LEU 77 3.550 1.462 -2.460 607 HD13 LEU 77 HD13 LEU 77 3.995 3.183 -2.496 608 HD21 LEU 77 HD21 LEU 77 0.756 2.036 0.069 609 HD22 LEU 77 HD22 LEU 77 1.573 0.728 -0.829 610 HD23 LEU 77 HD23 LEU 77 0.632 1.963 -1.690 611 H LYS 78 H LYS 78 5.750 5.227 1.803 612 HA LYS 78 HA LYS 78 6.787 3.513 3.931 613 HB2 LYS 78 HB1 LYS 78 7.844 5.580 4.762 614 HB3 LYS 78 HB2 LYS 78 8.197 5.182 3.058 615 HG2 LYS 78 HG1 LYS 78 6.636 6.915 2.317 616 HG3 LYS 78 HG2 LYS 78 6.293 7.321 4.017 617 HD2 LYS 78 HD1 LYS 78 7.823 8.932 3.122 618 HD3 LYS 78 HD2 LYS 78 8.660 7.988 4.339 619 HE2 LYS 78 HE1 LYS 78 8.834 7.148 1.436 620 HE3 LYS 78 HE2 LYS 78 9.733 8.593 1.947 621 HZ1 LYS 78 HZ1 LYS 78 10.077 5.845 3.032 622 HZ2 LYS 78 HZ2 LYS 78 10.935 7.174 3.536 623 HZ3 LYS 78 HZ3 LYS 78 11.034 6.518 2.009 624 HA PRO 79 HA PRO 79 3.322 3.239 6.350 625 HB2 PRO 79 HB1 PRO 79 4.271 3.542 8.999 626 HB3 PRO 79 HB2 PRO 79 4.252 2.048 8.023 627 HG2 PRO 79 HG1 PRO 79 6.510 4.002 8.397 628 HG3 PRO 79 HG2 PRO 79 6.578 2.204 8.346 629 HD2 PRO 79 HD1 PRO 79 7.286 3.644 6.184 630 HD3 PRO 79 HD2 PRO 79 6.266 2.190 5.977 631 H GLY 80 H GLY 80 5.135 5.876 8.036 632 HA2 GLY 80 HA3 GLY 80 2.755 7.644 7.970 633 HA3 GLY 80 HA2 GLY 80 4.357 8.033 8.637 634 H GLY 81 H GLY 81 2.305 8.295 5.975 635 HA2 GLY 81 HA3 GLY 81 3.511 9.765 4.051 636 HA3 GLY 81 HA2 GLY 81 4.351 8.208 3.871 637 H TYR 82 H TYR 82 3.149 6.358 3.307 638 HA TYR 82 HA TYR 82 0.347 6.479 2.469 639 HB2 TYR 82 HB1 TYR 82 2.500 5.948 0.413 640 HB3 TYR 82 HB2 TYR 82 0.747 5.826 0.178 641 HD1 TYR 82 HD1 TYR 82 -0.660 7.956 0.351 642 HD2 TYR 82 HD2 TYR 82 3.645 8.003 0.140 643 HE1 TYR 82 HE1 TYR 82 -0.725 10.383 -0.165 644 HE2 TYR 82 HE2 TYR 82 3.594 10.423 -0.409 645 HH TYR 82 HH TYR 82 0.541 12.281 -0.543 646 H HIS 83 H HIS 83 -0.567 4.390 2.353 647 HA HIS 83 HA HIS 83 1.026 1.968 2.386 648 HB2 HIS 83 HB1 HIS 83 0.568 1.257 4.669 649 HB3 HIS 83 HB2 HIS 83 1.590 2.698 4.651 650 HD1 HIS 83 HD1 HIS 83 0.540 4.912 5.760 651 HD2 HIS 83 HD2 HIS 83 -1.934 1.504 5.681 652 HE1 HIS 83 HE1 HIS 83 -1.531 5.494 7.103 653 H PHE 84 H PHE 84 -0.505 0.046 3.155 654 HA PHE 84 HA PHE 84 -3.212 0.536 1.975 655 HB2 PHE 84 HB1 PHE 84 -1.306 -1.803 1.842 656 HB3 PHE 84 HB2 PHE 84 -3.057 -2.017 1.620 657 HD1 PHE 84 HD2 PHE 84 -4.119 -0.226 -0.138 658 HD2 PHE 84 HD1 PHE 84 -0.034 -1.601 -0.115 659 HE1 PHE 84 HE2 PHE 84 -4.028 0.001 -2.601 660 HE2 PHE 84 HE1 PHE 84 0.095 -1.208 -2.570 661 HZ PHE 84 HZ PHE 84 -1.914 -0.451 -3.816 662 H MET 85 H MET 85 -4.858 0.254 3.269 663 HA MET 85 HA MET 85 -4.604 -1.204 5.850 664 HB2 MET 85 HB1 MET 85 -6.744 0.525 4.580 665 HB3 MET 85 HB2 MET 85 -7.089 -0.477 6.001 666 HG2 MET 85 HG1 MET 85 -4.755 1.419 6.056 667 HG3 MET 85 HG2 MET 85 -6.427 2.023 6.264 668 HE1 MET 85 HE1 MET 85 -3.925 -0.199 9.351 669 HE2 MET 85 HE2 MET 85 -4.215 -1.029 7.831 670 HE3 MET 85 HE3 MET 85 -3.374 0.543 7.818 671 H LEU 86 H LEU 86 -5.473 -3.139 6.199 672 HA LEU 86 HA LEU 86 -6.713 -4.608 3.895 673 HB2 LEU 86 HB1 LEU 86 -5.001 -5.658 6.189 674 HB3 LEU 86 HB2 LEU 86 -5.630 -6.607 4.831 675 HG LEU 86 HG LEU 86 -3.505 -4.418 4.673 676 HD11 LEU 86 HD11 LEU 86 -2.643 -6.413 5.754 677 HD12 LEU 86 HD12 LEU 86 -2.024 -6.356 4.097 678 HD13 LEU 86 HD13 LEU 86 -3.347 -7.458 4.499 679 HD21 LEU 86 HD21 LEU 86 -3.213 -5.142 2.335 680 HD22 LEU 86 HD22 LEU 86 -4.844 -4.527 2.610 681 HD23 LEU 86 HD23 LEU 86 -4.572 -6.279 2.500 682 H LEU 87 H LEU 87 -8.813 -4.945 4.259 683 HA LEU 87 HA LEU 87 -9.810 -5.540 7.018 684 HB2 LEU 87 HB1 LEU 87 -10.634 -3.652 4.852 685 HB3 LEU 87 HB2 LEU 87 -11.968 -4.507 5.635 686 HG LEU 87 HG LEU 87 -9.854 -3.070 7.275 687 HD11 LEU 87 HD11 LEU 87 -12.389 -1.852 6.082 688 HD12 LEU 87 HD12 LEU 87 -10.717 -1.405 5.681 689 HD13 LEU 87 HD13 LEU 87 -11.348 -1.088 7.304 690 HD21 LEU 87 HD21 LEU 87 -11.666 -2.997 8.936 691 HD22 LEU 87 HD22 LEU 87 -11.479 -4.672 8.374 692 HD23 LEU 87 HD23 LEU 87 -12.812 -3.678 7.762 693 H GLY 88 H GLY 88 -11.216 -7.216 7.287 694 HA2 GLY 88 HA3 GLY 88 -12.496 -9.097 6.731 695 HA3 GLY 88 HA2 GLY 88 -12.471 -8.598 5.024 696 H LEU 89 H LEU 89 -10.066 -9.635 7.534 697 HA LEU 89 HA LEU 89 -8.236 -10.622 5.569 698 HB2 LEU 89 HB1 LEU 89 -8.331 -11.196 8.536 699 HB3 LEU 89 HB2 LEU 89 -6.977 -11.575 7.441 700 HG LEU 89 HG LEU 89 -7.944 -8.860 8.371 701 HD11 LEU 89 HD11 LEU 89 -6.385 -10.225 9.818 702 HD12 LEU 89 HD12 LEU 89 -5.711 -8.673 9.300 703 HD13 LEU 89 HD13 LEU 89 -5.196 -10.178 8.510 704 HD21 LEU 89 HD21 LEU 89 -6.124 -7.854 7.001 705 HD22 LEU 89 HD22 LEU 89 -7.420 -8.525 6.010 706 HD23 LEU 89 HD23 LEU 89 -5.888 -9.417 6.191 707 H LYS 90 H LYS 90 -7.989 -12.455 4.597 708 HA LYS 90 HA LYS 90 -10.052 -14.546 4.889 709 HB2 LYS 90 HB1 LYS 90 -7.822 -14.071 2.875 710 HB3 LYS 90 HB2 LYS 90 -9.071 -15.321 2.727 711 HG2 LYS 90 HG1 LYS 90 -10.813 -13.568 2.631 712 HG3 LYS 90 HG2 LYS 90 -9.568 -12.303 2.795 713 HD2 LYS 90 HD1 LYS 90 -8.555 -12.924 0.703 714 HD3 LYS 90 HD2 LYS 90 -9.638 -14.299 0.497 715 HE2 LYS 90 HE1 LYS 90 -10.489 -11.373 0.624 716 HE3 LYS 90 HE2 LYS 90 -10.256 -12.289 -0.877 717 HZ1 LYS 90 HZ1 LYS 90 -12.257 -12.846 1.228 718 HZ2 LYS 90 HZ2 LYS 90 -12.065 -13.746 -0.155 719 HZ3 LYS 90 HZ3 LYS 90 -12.553 -12.176 -0.226 720 H ARG 91 H ARG 91 -6.900 -14.092 6.080 721 HA ARG 91 HA ARG 91 -7.182 -16.545 7.512 722 HB2 ARG 91 HB1 ARG 91 -5.144 -17.643 7.057 723 HB3 ARG 91 HB2 ARG 91 -5.902 -17.354 5.489 724 HG2 ARG 91 HG1 ARG 91 -4.347 -15.400 5.165 725 HG3 ARG 91 HG2 ARG 91 -3.565 -15.820 6.714 726 HD2 ARG 91 HD1 ARG 91 -3.147 -18.130 5.744 727 HD3 ARG 91 HD2 ARG 91 -3.649 -17.485 4.183 728 HE ARG 91 HE ARG 91 -1.260 -16.595 5.809 729 HH11 ARG 91 HH12 ARG 91 -2.596 -16.951 2.519 730 HH12 ARG 91 HH11 ARG 91 -1.093 -16.352 1.846 731 HH21 ARG 91 HH22 ARG 91 0.394 -15.786 4.897 732 HH22 ARG 91 HH21 ARG 91 0.592 -15.631 3.154 733 HA PRO 92 HA PRO 92 -4.676 -13.916 10.320 734 HB2 PRO 92 HB1 PRO 92 -4.108 -15.722 12.275 735 HB3 PRO 92 HB2 PRO 92 -5.698 -14.908 12.148 736 HG2 PRO 92 HG1 PRO 92 -4.928 -17.674 11.191 737 HG3 PRO 92 HG2 PRO 92 -6.411 -17.176 12.082 738 HD2 PRO 92 HD1 PRO 92 -6.310 -17.521 9.335 739 HD3 PRO 92 HD2 PRO 92 -7.400 -16.346 10.127 740 H LEU 93 H LEU 93 -2.604 -13.580 9.920 741 HA LEU 93 HA LEU 93 -1.170 -15.501 8.230 742 HB2 LEU 93 HB1 LEU 93 -0.406 -12.658 8.957 743 HB3 LEU 93 HB2 LEU 93 0.268 -13.686 7.659 744 HG LEU 93 HG LEU 93 -2.265 -13.676 6.818 745 HD11 LEU 93 HD11 LEU 93 -3.299 -11.453 7.108 746 HD12 LEU 93 HD12 LEU 93 -2.003 -10.961 8.214 747 HD13 LEU 93 HD13 LEU 93 -3.149 -12.229 8.681 748 HD21 LEU 93 HD21 LEU 93 -0.240 -11.435 6.408 749 HD22 LEU 93 HD22 LEU 93 -1.644 -11.747 5.366 750 HD23 LEU 93 HD23 LEU 93 -0.360 -12.956 5.494 751 H LYS 94 H LYS 94 1.281 -15.685 8.505 752 HA LYS 94 HA LYS 94 2.114 -15.467 11.377 753 HB2 LYS 94 HB1 LYS 94 3.505 -17.483 9.682 754 HB3 LYS 94 HB2 LYS 94 3.347 -17.414 11.440 755 HG2 LYS 94 HG1 LYS 94 1.309 -18.398 9.431 756 HG3 LYS 94 HG2 LYS 94 2.287 -19.372 10.558 757 HD2 LYS 94 HD1 LYS 94 0.675 -19.262 12.053 758 HD3 LYS 94 HD2 LYS 94 0.850 -17.500 12.131 759 HE2 LYS 94 HE1 LYS 94 -1.478 -18.669 11.651 760 HE3 LYS 94 HE2 LYS 94 -1.040 -17.144 10.854 761 HZ1 LYS 94 HZ1 LYS 94 -0.959 -19.825 9.614 762 HZ2 LYS 94 HZ2 LYS 94 -0.410 -18.477 8.889 763 HZ3 LYS 94 HZ3 LYS 94 -1.978 -18.556 9.267 764 H ALA 95 H ALA 95 4.094 -14.637 11.727 765 HA ALA 95 HA ALA 95 5.696 -13.337 9.703 766 HB1 ALA 95 HB1 ALA 95 6.041 -12.847 12.053 767 HB2 ALA 95 HB2 ALA 95 6.475 -14.541 12.397 768 HB3 ALA 95 HB3 ALA 95 7.526 -13.523 11.386 769 H GLY 96 H GLY 96 6.954 -14.201 8.125 770 HA2 GLY 96 HA3 GLY 96 8.314 -15.786 7.047 771 HA3 GLY 96 HA2 GLY 96 7.909 -16.987 8.294 772 H GLU 97 H GLU 97 5.013 -15.564 7.057 773 HA GLU 97 HA GLU 97 4.688 -17.632 4.935 774 HB2 GLU 97 HB1 GLU 97 2.815 -15.592 6.167 775 HB3 GLU 97 HB2 GLU 97 2.428 -16.562 4.725 776 HG2 GLU 97 HG1 GLU 97 2.558 -18.617 6.033 777 HG3 GLU 97 HG2 GLU 97 2.955 -17.683 7.488 778 H GLU 98 H GLU 98 3.689 -16.595 2.903 779 HA GLU 98 HA GLU 98 4.782 -13.906 2.224 780 HB2 GLU 98 HB1 GLU 98 4.700 -16.467 0.628 781 HB3 GLU 98 HB2 GLU 98 4.606 -14.903 -0.199 782 HG2 GLU 98 HG1 GLU 98 6.799 -15.012 1.762 783 HG3 GLU 98 HG2 GLU 98 6.926 -16.270 0.502 784 H VAL 99 H VAL 99 3.484 -12.697 0.827 785 HA VAL 99 HA VAL 99 0.613 -13.506 0.488 786 HB VAL 99 HB VAL 99 1.684 -10.777 1.365 787 HG11 VAL 99 HG11 VAL 99 -0.166 -10.359 -0.159 788 HG12 VAL 99 HG12 VAL 99 -1.107 -11.692 0.549 789 HG13 VAL 99 HG13 VAL 99 -0.811 -10.209 1.468 790 HG21 VAL 99 HG21 VAL 99 0.302 -11.233 3.397 791 HG22 VAL 99 HG22 VAL 99 -0.048 -12.860 2.764 792 HG23 VAL 99 HG23 VAL 99 1.596 -12.413 3.181 793 H GLU 100 H GLU 100 0.088 -13.541 -1.532 794 HA GLU 100 HA GLU 100 1.578 -12.121 -3.635 795 HB2 GLU 100 HB1 GLU 100 0.741 -14.521 -3.688 796 HB3 GLU 100 HB2 GLU 100 -0.886 -13.895 -3.872 797 HG2 GLU 100 HG1 GLU 100 1.090 -12.746 -5.773 798 HG3 GLU 100 HG2 GLU 100 0.905 -14.516 -5.896 799 H LEU 101 H LEU 101 0.654 -10.449 -4.994 800 HA LEU 101 HA LEU 101 -1.941 -9.427 -4.374 801 HB2 LEU 101 HB1 LEU 101 -0.549 -8.723 -2.492 802 HB3 LEU 101 HB2 LEU 101 0.531 -7.861 -3.565 803 HG LEU 101 HG LEU 101 -2.325 -7.133 -3.007 804 HD11 LEU 101 HD11 LEU 101 0.225 -6.000 -1.821 805 HD12 LEU 101 HD12 LEU 101 -0.982 -7.007 -0.983 806 HD13 LEU 101 HD13 LEU 101 -1.421 -5.387 -1.538 807 HD21 LEU 101 HD21 LEU 101 -1.911 -5.987 -4.948 808 HD22 LEU 101 HD22 LEU 101 -0.146 -5.925 -4.699 809 HD23 LEU 101 HD23 LEU 101 -1.211 -4.811 -3.830 810 H ASP 102 H ASP 102 -2.808 -8.120 -5.907 811 HA ASP 102 HA ASP 102 -1.293 -7.509 -8.414 812 HB2 ASP 102 HB1 ASP 102 -4.026 -8.418 -7.687 813 HB3 ASP 102 HB2 ASP 102 -4.040 -7.124 -8.878 814 H LEU 103 H LEU 103 -0.591 -5.351 -8.516 815 HA LEU 103 HA LEU 103 -1.922 -3.238 -7.023 816 HB2 LEU 103 HB1 LEU 103 0.184 -3.328 -9.211 817 HB3 LEU 103 HB2 LEU 103 -0.348 -1.829 -8.417 818 HG LEU 103 HG LEU 103 1.741 -2.485 -7.626 819 HD11 LEU 103 HD11 LEU 103 0.233 -1.447 -5.971 820 HD12 LEU 103 HD12 LEU 103 1.406 -2.519 -5.206 821 HD13 LEU 103 HD13 LEU 103 -0.270 -3.062 -5.416 822 HD21 LEU 103 HD21 LEU 103 2.344 -4.446 -6.434 823 HD22 LEU 103 HD22 LEU 103 1.761 -4.868 -8.049 824 HD23 LEU 103 HD23 LEU 103 0.727 -5.139 -6.627 825 H LEU 104 H LEU 104 -3.618 -2.055 -7.692 826 HA LEU 104 HA LEU 104 -4.664 -2.512 -10.445 827 HB2 LEU 104 HB1 LEU 104 -5.984 -1.049 -8.147 828 HB3 LEU 104 HB2 LEU 104 -6.740 -1.632 -9.637 829 HG LEU 104 HG LEU 104 -5.733 -3.257 -7.335 830 HD11 LEU 104 HD11 LEU 104 -8.111 -3.872 -7.060 831 HD12 LEU 104 HD12 LEU 104 -8.536 -2.840 -8.442 832 HD13 LEU 104 HD13 LEU 104 -7.878 -2.121 -6.956 833 HD21 LEU 104 HD21 LEU 104 -6.924 -4.251 -9.960 834 HD22 LEU 104 HD22 LEU 104 -6.680 -5.258 -8.513 835 HD23 LEU 104 HD23 LEU 104 -5.285 -4.570 -9.343 836 H PHE 105 H PHE 105 -4.420 -1.017 -12.021 837 HA PHE 105 HA PHE 105 -3.893 1.832 -11.229 838 HB2 PHE 105 HB1 PHE 105 -2.761 0.246 -13.548 839 HB3 PHE 105 HB2 PHE 105 -2.469 1.957 -13.257 840 HD1 PHE 105 HD2 PHE 105 -1.020 2.658 -11.315 841 HD2 PHE 105 HD1 PHE 105 -1.543 -1.478 -12.421 842 HE1 PHE 105 HE2 PHE 105 1.047 2.060 -10.075 843 HE2 PHE 105 HE1 PHE 105 0.510 -2.059 -11.183 844 HZ PHE 105 HZ PHE 105 1.823 -0.300 -10.017 845 H ALA 106 H ALA 106 -4.586 3.438 -12.625 846 HA ALA 106 HA ALA 106 -7.245 3.204 -13.406 847 HB1 ALA 106 HB1 ALA 106 -6.152 5.292 -12.730 848 HB2 ALA 106 HB2 ALA 106 -5.216 5.309 -14.246 849 HB3 ALA 106 HB3 ALA 106 -6.983 5.492 -14.285 850 H GLY 107 H GLY 107 -8.348 2.562 -15.117 851 HA2 GLY 107 HA3 GLY 107 -8.990 2.207 -17.292 852 HA3 GLY 107 HA2 GLY 107 -7.512 3.039 -17.828 853 H GLY 108 H GLY 108 -8.033 -0.035 -16.010 854 HA2 GLY 108 HA3 GLY 108 -7.889 -2.205 -16.721 855 HA3 GLY 108 HA2 GLY 108 -7.571 -1.612 -18.367 856 H LYS 109 H LYS 109 -5.280 -0.520 -15.956 857 HA LYS 109 HA LYS 109 -3.295 -2.569 -16.853 858 HB2 LYS 109 HB1 LYS 109 -3.139 0.230 -15.752 859 HB3 LYS 109 HB2 LYS 109 -1.830 -0.934 -15.407 860 HG2 LYS 109 HG1 LYS 109 -1.114 0.318 -17.251 861 HG3 LYS 109 HG2 LYS 109 -1.572 -1.276 -17.870 862 HD2 LYS 109 HD1 LYS 109 -2.321 0.463 -19.406 863 HD3 LYS 109 HD2 LYS 109 -3.743 -0.280 -18.659 864 HE2 LYS 109 HE1 LYS 109 -3.729 1.617 -16.975 865 HE3 LYS 109 HE2 LYS 109 -2.411 2.368 -17.882 866 HZ1 LYS 109 HZ1 LYS 109 -3.914 2.584 -19.756 867 HZ2 LYS 109 HZ2 LYS 109 -4.651 3.200 -18.400 868 HZ3 LYS 109 HZ3 LYS 109 -5.093 1.738 -18.972 869 H VAL 110 H VAL 110 -2.706 -4.147 -15.409 870 HA VAL 110 HA VAL 110 -2.791 -3.641 -12.557 871 HB VAL 110 HB VAL 110 -4.982 -4.528 -12.922 872 HG11 VAL 110 HG11 VAL 110 -3.747 -6.931 -14.321 873 HG12 VAL 110 HG12 VAL 110 -5.457 -6.729 -13.897 874 HG13 VAL 110 HG13 VAL 110 -4.718 -5.650 -15.082 875 HG21 VAL 110 HG21 VAL 110 -5.002 -6.483 -11.469 876 HG22 VAL 110 HG22 VAL 110 -3.289 -6.798 -11.802 877 HG23 VAL 110 HG23 VAL 110 -3.769 -5.352 -10.896 878 H LEU 111 H LEU 111 -1.202 -4.797 -11.452 879 HA LEU 111 HA LEU 111 0.589 -6.573 -13.054 880 HB2 LEU 111 HB1 LEU 111 1.415 -4.050 -11.568 881 HB3 LEU 111 HB2 LEU 111 2.551 -5.243 -12.225 882 HG LEU 111 HG LEU 111 0.624 -3.562 -13.895 883 HD11 LEU 111 HD11 LEU 111 3.619 -3.227 -13.430 884 HD12 LEU 111 HD12 LEU 111 2.345 -2.169 -12.794 885 HD13 LEU 111 HD13 LEU 111 2.613 -2.269 -14.539 886 HD21 LEU 111 HD21 LEU 111 1.276 -5.695 -15.015 887 HD22 LEU 111 HD22 LEU 111 2.983 -5.325 -14.720 888 HD23 LEU 111 HD23 LEU 111 2.021 -4.301 -15.805 889 H LYS 112 H LYS 112 1.475 -8.188 -11.974 890 HA LYS 112 HA LYS 112 0.642 -8.733 -9.261 891 HB2 LYS 112 HB1 LYS 112 0.766 -10.351 -11.182 892 HB3 LYS 112 HB2 LYS 112 2.543 -10.210 -11.137 893 HG2 LYS 112 HG1 LYS 112 2.475 -12.015 -9.834 894 HG3 LYS 112 HG2 LYS 112 1.975 -10.946 -8.527 895 HD2 LYS 112 HD1 LYS 112 0.173 -12.592 -10.340 896 HD3 LYS 112 HD2 LYS 112 0.530 -12.870 -8.623 897 HE2 LYS 112 HE1 LYS 112 -0.553 -10.663 -8.106 898 HE3 LYS 112 HE2 LYS 112 -0.941 -10.487 -9.835 899 HZ1 LYS 112 HZ1 LYS 112 -2.842 -11.333 -8.890 900 HZ2 LYS 112 HZ2 LYS 112 -2.033 -12.396 -7.894 901 HZ3 LYS 112 HZ3 LYS 112 -2.143 -12.697 -9.500 902 H VAL 113 H VAL 113 1.772 -8.509 -7.384 903 HA VAL 113 HA VAL 113 4.717 -8.957 -7.474 904 HB VAL 113 HB VAL 113 5.172 -7.546 -5.579 905 HG11 VAL 113 HG11 VAL 113 5.010 -5.337 -6.600 906 HG12 VAL 113 HG12 VAL 113 5.490 -6.572 -7.776 907 HG13 VAL 113 HG13 VAL 113 3.831 -5.946 -7.779 908 HG21 VAL 113 HG21 VAL 113 2.245 -6.734 -5.643 909 HG22 VAL 113 HG22 VAL 113 3.112 -7.549 -4.334 910 HG23 VAL 113 HG23 VAL 113 3.512 -5.878 -4.732 911 H VAL 114 H VAL 114 5.505 -9.606 -5.202 912 HA VAL 114 HA VAL 114 3.500 -10.894 -3.510 913 HB VAL 114 HB VAL 114 4.568 -12.655 -4.985 914 HG11 VAL 114 HG11 VAL 114 6.817 -13.434 -4.531 915 HG12 VAL 114 HG12 VAL 114 6.874 -11.739 -5.042 916 HG13 VAL 114 HG13 VAL 114 7.072 -12.159 -3.326 917 HG21 VAL 114 HG21 VAL 114 4.860 -14.287 -3.189 918 HG22 VAL 114 HG22 VAL 114 4.929 -12.982 -1.986 919 HG23 VAL 114 HG23 VAL 114 3.450 -13.264 -2.924 920 H LEU 115 H LEU 115 4.218 -11.028 -1.303 921 HA LEU 115 HA LEU 115 6.455 -9.258 -0.462 922 HB2 LEU 115 HB1 LEU 115 3.543 -9.072 0.419 923 HB3 LEU 115 HB2 LEU 115 4.865 -8.082 1.046 924 HG LEU 115 HG LEU 115 3.815 -7.986 -1.819 925 HD11 LEU 115 HD11 LEU 115 3.285 -6.124 0.536 926 HD12 LEU 115 HD12 LEU 115 2.119 -7.258 -0.185 927 HD13 LEU 115 HD13 LEU 115 2.729 -5.898 -1.139 928 HD21 LEU 115 HD21 LEU 115 5.626 -6.055 -0.318 929 HD22 LEU 115 HD22 LEU 115 5.096 -5.910 -2.007 930 HD23 LEU 115 HD23 LEU 115 6.205 -7.209 -1.534 931 HA PRO 116 HA PRO 116 6.491 -12.574 2.666 932 HB2 PRO 116 HB1 PRO 116 8.434 -11.625 4.344 933 HB3 PRO 116 HB2 PRO 116 8.780 -12.358 2.747 934 HG2 PRO 116 HG1 PRO 116 8.491 -9.408 3.407 935 HG3 PRO 116 HG2 PRO 116 9.833 -10.212 2.515 936 HD2 PRO 116 HD1 PRO 116 7.810 -9.025 1.172 937 HD3 PRO 116 HD2 PRO 116 8.444 -10.609 0.627 938 H VAL 117 H VAL 117 5.824 -12.903 4.865 939 HA VAL 117 HA VAL 117 4.349 -10.653 6.040 940 HB VAL 117 HB VAL 117 4.333 -13.606 6.678 941 HG11 VAL 117 HG11 VAL 117 3.763 -12.318 8.645 942 HG12 VAL 117 HG12 VAL 117 2.695 -11.240 7.708 943 HG13 VAL 117 HG13 VAL 117 2.266 -12.945 7.980 944 HG21 VAL 117 HG21 VAL 117 2.037 -13.495 5.685 945 HG22 VAL 117 HG22 VAL 117 2.331 -11.802 5.251 946 HG23 VAL 117 HG23 VAL 117 3.287 -13.102 4.500 947 H GLU 118 H GLU 118 4.838 -9.711 7.765 948 HA GLU 118 HA GLU 118 7.250 -10.241 9.432 949 HB2 GLU 118 HB1 GLU 118 5.913 -7.929 8.203 950 HB3 GLU 118 HB2 GLU 118 6.181 -7.643 9.914 951 HG2 GLU 118 HG1 GLU 118 8.376 -8.642 8.068 952 HG3 GLU 118 HG2 GLU 118 8.016 -6.909 8.302 953 H ALA 119 H ALA 119 6.660 -8.958 11.731 954 HA ALA 119 HA ALA 119 3.861 -9.374 12.551 955 HB1 ALA 119 HB1 ALA 119 4.690 -11.554 13.137 956 HB2 ALA 119 HB2 ALA 119 6.139 -10.864 13.923 957 HB3 ALA 119 HB3 ALA 119 4.530 -10.637 14.639 958 H ARG 120 H ARG 120 4.123 -7.037 12.367 959 HA ARG 120 HA ARG 120 5.809 -5.700 14.435 960 HB2 ARG 120 HB1 ARG 120 7.215 -6.711 12.691 961 HB3 ARG 120 HB2 ARG 120 6.306 -5.853 11.433 962 HG2 ARG 120 HG1 ARG 120 7.163 -3.708 12.232 963 HG3 ARG 120 HG2 ARG 120 7.950 -4.507 13.617 964 HD2 ARG 120 HD1 ARG 120 9.304 -5.880 12.088 965 HD3 ARG 120 HD2 ARG 120 8.491 -5.147 10.687 966 HE ARG 120 HE ARG 120 9.626 -3.067 12.194 967 HH11 ARG 120 HH12 ARG 120 10.765 -5.845 10.329 968 HH12 ARG 120 HH11 ARG 120 12.243 -5.065 9.871 969 HH21 ARG 120 HH22 ARG 120 11.534 -2.115 11.521 970 HH22 ARG 120 HH21 ARG 120 12.633 -2.997 10.483 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 14.121 2.258 0.240 2 H2 GLY 1 2H GLY 1 14.427 3.569 1.161 3 H3 GLY 1 3H GLY 1 15.476 2.275 1.160 4 HA2 GLY 1 HA3 GLY 1 14.880 3.827 -1.261 5 HA3 GLY 1 HA2 GLY 1 16.244 4.223 -0.191 6 H SER 2 H SER 2 16.219 3.173 -3.002 7 HA SER 2 HA SER 2 17.733 2.008 -4.239 8 HB2 SER 2 HB1 SER 2 18.916 0.929 -1.669 9 HB3 SER 2 HB2 SER 2 19.662 0.980 -3.287 10 HG SER 2 HG SER 2 20.362 2.708 -1.935 11 H PHE 3 H PHE 3 17.048 -0.271 -1.533 12 HA PHE 3 HA PHE 3 15.727 -2.170 -3.357 13 HB2 PHE 3 HB1 PHE 3 17.398 -3.957 -2.701 14 HB3 PHE 3 HB2 PHE 3 17.887 -2.760 -3.916 15 HD1 PHE 3 HD2 PHE 3 18.218 -3.598 -0.256 16 HD2 PHE 3 HD1 PHE 3 19.911 -1.594 -3.678 17 HE1 PHE 3 HE2 PHE 3 20.266 -3.097 1.046 18 HE2 PHE 3 HE1 PHE 3 21.969 -1.112 -2.375 19 HZ PHE 3 HZ PHE 3 22.148 -1.860 -0.010 20 H THR 4 H THR 4 14.772 -0.696 -1.061 21 HA THR 4 HA THR 4 13.944 -2.671 0.904 22 HB THR 4 HB THR 4 12.042 -0.617 -0.209 23 HG1 THR 4 HG1 THR 4 12.975 1.014 0.547 24 HG21 THR 4 HG21 THR 4 11.352 -2.016 1.706 25 HG22 THR 4 HG22 THR 4 11.470 -0.313 2.164 26 HG23 THR 4 HG23 THR 4 12.757 -1.448 2.634 27 H GLU 5 H GLU 5 12.139 -4.118 0.701 28 HA GLU 5 HA GLU 5 10.833 -4.331 -1.973 29 HB2 GLU 5 HB1 GLU 5 12.413 -6.200 -1.503 30 HB3 GLU 5 HB2 GLU 5 11.458 -6.585 -0.062 31 HG2 GLU 5 HG1 GLU 5 9.574 -7.241 -1.388 32 HG3 GLU 5 HG2 GLU 5 10.275 -6.549 -2.862 33 H GLY 6 H GLY 6 8.654 -5.698 -1.507 34 HA2 GLY 6 HA3 GLY 6 7.212 -4.196 0.617 35 HA3 GLY 6 HA2 GLY 6 6.480 -4.884 -0.850 36 H TRP 7 H TRP 7 6.471 -5.165 2.324 37 HA TRP 7 HA TRP 7 5.978 -8.109 2.292 38 HB2 TRP 7 HB1 TRP 7 6.762 -8.263 4.482 39 HB3 TRP 7 HB2 TRP 7 7.964 -7.282 3.659 40 HD1 TRP 7 HD TRP 7 5.806 -7.404 6.638 41 HE1 TRP 7 HE1 TRP 7 5.848 -5.261 7.998 42 HE3 TRP 7 3HE TRP 7 8.279 -4.418 3.270 43 HZ2 TRP 7 HZ2 TRP 7 6.809 -2.548 7.650 44 HZ3 TRP 7 HZ3 TRP 7 8.730 -2.056 3.818 45 HH2 TRP 7 HH TRP 7 8.012 -1.102 6.002 46 H VAL 8 H VAL 8 4.494 -8.734 4.144 47 HA VAL 8 HA VAL 8 2.459 -6.629 4.828 48 HB VAL 8 HB VAL 8 1.876 -9.585 4.390 49 HG11 VAL 8 HG11 VAL 8 -0.502 -8.888 4.684 50 HG12 VAL 8 HG12 VAL 8 0.460 -8.605 6.133 51 HG13 VAL 8 HG13 VAL 8 0.038 -7.239 5.076 52 HG21 VAL 8 HG21 VAL 8 2.176 -8.510 2.206 53 HG22 VAL 8 HG22 VAL 8 0.459 -8.806 2.479 54 HG23 VAL 8 HG23 VAL 8 1.114 -7.169 2.685 55 H ARG 9 H ARG 9 2.213 -6.343 7.016 56 HA ARG 9 HA ARG 9 3.891 -7.574 8.890 57 HB2 ARG 9 HB1 ARG 9 2.769 -6.408 10.557 58 HB3 ARG 9 HB2 ARG 9 2.632 -5.374 9.140 59 HG2 ARG 9 HG1 ARG 9 0.496 -7.180 10.333 60 HG3 ARG 9 HG2 ARG 9 0.539 -5.410 10.415 61 HD2 ARG 9 HD1 ARG 9 0.130 -5.236 8.044 62 HD3 ARG 9 HD2 ARG 9 0.282 -6.996 7.823 63 HE ARG 9 HE ARG 9 -1.693 -6.961 9.568 64 HH11 ARG 9 HH12 ARG 9 -1.267 -4.872 6.755 65 HH12 ARG 9 HH11 ARG 9 -2.961 -4.908 6.361 66 HH21 ARG 9 HH22 ARG 9 -3.892 -7.088 8.841 67 HH22 ARG 9 HH21 ARG 9 -4.359 -6.214 7.428 68 H PHE 10 H PHE 10 3.824 -9.271 10.235 69 HA PHE 10 HA PHE 10 1.989 -11.427 9.827 70 HB2 PHE 10 HB1 PHE 10 3.420 -12.652 11.138 71 HB3 PHE 10 HB2 PHE 10 4.504 -11.460 10.474 72 HD1 PHE 10 HD2 PHE 10 4.049 -9.080 12.279 73 HD2 PHE 10 HD1 PHE 10 4.119 -13.296 13.198 74 HE1 PHE 10 HE2 PHE 10 4.287 -8.555 14.677 75 HE2 PHE 10 HE1 PHE 10 4.375 -12.775 15.578 76 HZ PHE 10 HZ PHE 10 4.343 -10.383 16.346 77 H SER 11 H SER 11 0.393 -9.194 10.761 78 HA SER 11 HA SER 11 0.464 -9.152 13.620 79 HB2 SER 11 HB1 SER 11 -1.459 -7.571 13.465 80 HB3 SER 11 HB2 SER 11 -0.060 -7.127 12.466 81 HG SER 11 HG SER 11 -2.633 -7.999 11.752 82 HA PRO 12 HA PRO 12 -2.798 -12.196 14.485 83 HB2 PRO 12 HB1 PRO 12 -3.039 -11.835 17.175 84 HB3 PRO 12 HB2 PRO 12 -1.642 -12.677 16.436 85 HG2 PRO 12 HG1 PRO 12 -1.821 -9.776 17.300 86 HG3 PRO 12 HG2 PRO 12 -0.523 -10.964 17.676 87 HD2 PRO 12 HD1 PRO 12 -0.313 -9.162 15.626 88 HD3 PRO 12 HD2 PRO 12 0.357 -10.812 15.491 89 H GLY 13 H GLY 13 -2.900 -8.723 15.113 90 HA2 GLY 13 HA3 GLY 13 -5.848 -8.626 15.214 91 HA3 GLY 13 HA2 GLY 13 -4.735 -7.249 15.046 92 HA PRO 14 HA PRO 14 -5.709 -9.534 10.874 93 HB2 PRO 14 HB1 PRO 14 -8.367 -9.295 10.186 94 HB3 PRO 14 HB2 PRO 14 -7.687 -10.672 11.105 95 HG2 PRO 14 HG1 PRO 14 -9.076 -8.211 12.193 96 HG3 PRO 14 HG2 PRO 14 -9.363 -9.934 12.631 97 HD2 PRO 14 HD1 PRO 14 -7.784 -8.317 14.152 98 HD3 PRO 14 HD2 PRO 14 -7.352 -10.031 13.881 99 H ASN 15 H ASN 15 -7.471 -6.537 11.873 100 HA ASN 15 HA ASN 15 -7.056 -5.442 9.177 101 HB2 ASN 15 HB1 ASN 15 -8.306 -4.049 11.560 102 HB3 ASN 15 HB2 ASN 15 -8.501 -3.647 9.844 103 HD21 ASN 15 HD21 ASN 15 -10.417 -4.545 12.176 104 HD22 ASN 15 HD22 ASN 15 -11.374 -5.783 11.369 105 H ALA 16 H ALA 16 -5.735 -3.733 8.677 106 HA ALA 16 HA ALA 16 -4.173 -1.984 10.037 107 HB1 ALA 16 HB1 ALA 16 -2.940 -4.741 10.275 108 HB2 ALA 16 HB2 ALA 16 -1.904 -3.308 10.239 109 HB3 ALA 16 HB3 ALA 16 -3.110 -3.485 11.503 110 H ALA 17 H ALA 17 -1.863 -1.702 8.932 111 HA ALA 17 HA ALA 17 -2.438 -1.151 6.133 112 HB1 ALA 17 HB1 ALA 17 -1.387 0.541 7.636 113 HB2 ALA 17 HB2 ALA 17 -0.014 -0.557 7.892 114 HB3 ALA 17 HB3 ALA 17 -0.317 0.127 6.288 115 H ALA 18 H ALA 18 -1.268 -1.768 4.330 116 HA ALA 18 HA ALA 18 0.940 -3.757 4.615 117 HB1 ALA 18 HB1 ALA 18 -1.381 -3.883 2.636 118 HB2 ALA 18 HB2 ALA 18 0.063 -4.915 2.586 119 HB3 ALA 18 HB3 ALA 18 -1.048 -5.020 3.965 120 H TYR 19 H TYR 19 2.405 -3.794 2.787 121 HA TYR 19 HA TYR 19 2.879 -0.993 1.847 122 HB2 TYR 19 HB1 TYR 19 5.030 -2.778 2.948 123 HB3 TYR 19 HB2 TYR 19 4.966 -1.020 2.911 124 HD1 TYR 19 HD1 TYR 19 3.359 0.156 4.562 125 HD2 TYR 19 HD2 TYR 19 4.380 -4.025 4.823 126 HE1 TYR 19 HE1 TYR 19 2.596 0.111 6.939 127 HE2 TYR 19 HE2 TYR 19 3.665 -4.072 7.193 128 HH TYR 19 HH TYR 19 2.485 -1.149 8.879 129 H LEU 20 H LEU 20 4.699 -0.805 0.287 130 HA LEU 20 HA LEU 20 6.148 -2.944 -0.581 131 HB2 LEU 20 HB1 LEU 20 5.585 -3.435 -2.819 132 HB3 LEU 20 HB2 LEU 20 4.149 -3.741 -1.870 133 HG LEU 20 HG LEU 20 4.645 -1.250 -3.553 134 HD11 LEU 20 HD11 LEU 20 3.051 -2.256 -5.136 135 HD12 LEU 20 HD12 LEU 20 2.936 -3.712 -4.121 136 HD13 LEU 20 HD13 LEU 20 4.467 -3.296 -4.929 137 HD21 LEU 20 HD21 LEU 20 2.127 -2.242 -2.155 138 HD22 LEU 20 HD22 LEU 20 2.198 -0.893 -3.322 139 HD23 LEU 20 HD23 LEU 20 3.040 -0.764 -1.782 140 H THR 21 H THR 21 7.813 -2.592 -2.026 141 HA THR 21 HA THR 21 8.365 0.183 -2.924 142 HB THR 21 HB THR 21 9.800 -2.472 -3.410 143 HG1 THR 21 HG1 THR 21 11.223 -1.607 -2.069 144 HG21 THR 21 HG21 THR 21 10.404 0.399 -4.342 145 HG22 THR 21 HG22 THR 21 10.170 -1.017 -5.386 146 HG23 THR 21 HG23 THR 21 11.598 -0.922 -4.348 147 H LEU 22 H LEU 22 7.740 0.917 -4.900 148 HA LEU 22 HA LEU 22 6.953 -0.970 -7.023 149 HB2 LEU 22 HB1 LEU 22 4.946 -0.626 -5.675 150 HB3 LEU 22 HB2 LEU 22 5.064 1.115 -5.836 151 HG LEU 22 HG LEU 22 3.303 -0.094 -7.168 152 HD11 LEU 22 HD11 LEU 22 3.977 2.203 -7.679 153 HD12 LEU 22 HD12 LEU 22 3.439 1.315 -9.115 154 HD13 LEU 22 HD13 LEU 22 5.163 1.607 -8.859 155 HD21 LEU 22 HD21 LEU 22 5.570 -0.967 -9.001 156 HD22 LEU 22 HD22 LEU 22 3.836 -1.207 -9.244 157 HD23 LEU 22 HD23 LEU 22 4.658 -2.031 -7.907 158 H GLU 23 H GLU 23 7.410 -0.187 -9.053 159 HA GLU 23 HA GLU 23 7.938 2.657 -9.419 160 HB2 GLU 23 HB1 GLU 23 10.138 2.387 -10.337 161 HB3 GLU 23 HB2 GLU 23 10.073 1.859 -8.648 162 HG2 GLU 23 HG1 GLU 23 10.261 -0.456 -9.295 163 HG3 GLU 23 HG2 GLU 23 10.062 -0.044 -11.012 164 H ASN 24 H ASN 24 8.509 3.198 -11.596 165 HA ASN 24 HA ASN 24 6.841 1.631 -13.506 166 HB2 ASN 24 HB1 ASN 24 5.950 3.797 -12.668 167 HB3 ASN 24 HB2 ASN 24 7.353 4.623 -13.353 168 HD21 ASN 24 HD21 ASN 24 4.991 5.493 -14.281 169 HD22 ASN 24 HD22 ASN 24 4.797 4.925 -15.943 170 HA PRO 25 HA PRO 25 11.044 1.744 -15.428 171 HB2 PRO 25 HB1 PRO 25 11.057 -0.745 -16.549 172 HB3 PRO 25 HB2 PRO 25 11.395 -0.480 -14.809 173 HG2 PRO 25 HG1 PRO 25 8.745 -1.237 -16.083 174 HG3 PRO 25 HG2 PRO 25 9.571 -2.041 -14.701 175 HD2 PRO 25 HD1 PRO 25 7.615 -0.182 -14.315 176 HD3 PRO 25 HD2 PRO 25 9.042 -0.266 -13.238 177 H GLY 26 H GLY 26 7.829 1.763 -16.542 178 HA2 GLY 26 HA3 GLY 26 8.440 1.685 -19.411 179 HA3 GLY 26 HA2 GLY 26 6.857 1.946 -18.643 180 H ASP 27 H ASP 27 7.532 3.422 -20.730 181 HA ASP 27 HA ASP 27 8.630 6.024 -19.948 182 HB2 ASP 27 HB1 ASP 27 7.790 4.806 -22.601 183 HB3 ASP 27 HB2 ASP 27 8.594 6.380 -22.403 184 H LEU 28 H LEU 28 5.592 4.802 -19.736 185 HA LEU 28 HA LEU 28 4.335 7.474 -20.014 186 HB2 LEU 28 HB1 LEU 28 2.263 6.447 -20.704 187 HB3 LEU 28 HB2 LEU 28 3.599 6.056 -21.819 188 HG LEU 28 HG LEU 28 3.704 3.773 -20.665 189 HD11 LEU 28 HD11 LEU 28 1.082 4.800 -19.484 190 HD12 LEU 28 HD12 LEU 28 2.445 4.054 -18.624 191 HD13 LEU 28 HD13 LEU 28 1.442 3.064 -19.672 192 HD21 LEU 28 HD21 LEU 28 2.714 4.160 -22.894 193 HD22 LEU 28 HD22 LEU 28 1.155 4.568 -22.141 194 HD23 LEU 28 HD23 LEU 28 1.814 2.921 -22.010 195 HA PRO 29 HA PRO 29 3.663 7.188 -15.810 196 HB2 PRO 29 HB1 PRO 29 1.430 8.621 -15.225 197 HB3 PRO 29 HB2 PRO 29 2.868 9.350 -16.002 198 HG2 PRO 29 HG1 PRO 29 0.334 8.365 -17.327 199 HG3 PRO 29 HG2 PRO 29 1.201 9.917 -17.604 200 HD2 PRO 29 HD1 PRO 29 1.491 7.685 -19.208 201 HD3 PRO 29 HD2 PRO 29 2.810 8.847 -18.956 202 H LEU 30 H LEU 30 2.536 6.371 -13.933 203 HA LEU 30 HA LEU 30 0.511 4.225 -14.475 204 HB2 LEU 30 HB1 LEU 30 3.195 4.107 -13.339 205 HB3 LEU 30 HB2 LEU 30 1.955 3.381 -12.292 206 HG LEU 30 HG LEU 30 1.248 1.913 -14.042 207 HD11 LEU 30 HD11 LEU 30 2.582 1.563 -16.112 208 HD12 LEU 30 HD12 LEU 30 3.380 3.116 -15.820 209 HD13 LEU 30 HD13 LEU 30 1.634 3.054 -16.107 210 HD21 LEU 30 HD21 LEU 30 4.247 1.856 -13.628 211 HD22 LEU 30 HD22 LEU 30 3.220 0.468 -14.059 212 HD23 LEU 30 HD23 LEU 30 3.017 1.264 -12.489 213 H ARG 31 H ARG 31 -1.155 5.176 -13.764 214 HA ARG 31 HA ARG 31 -1.346 6.367 -11.036 215 HB2 ARG 31 HB1 ARG 31 -2.410 7.601 -12.886 216 HB3 ARG 31 HB2 ARG 31 -3.475 6.206 -13.171 217 HG2 ARG 31 HG1 ARG 31 -4.685 6.563 -11.219 218 HG3 ARG 31 HG2 ARG 31 -3.363 7.440 -10.415 219 HD2 ARG 31 HD1 ARG 31 -5.386 8.796 -11.026 220 HD3 ARG 31 HD2 ARG 31 -3.818 9.439 -11.496 221 HE ARG 31 HE ARG 31 -5.853 8.184 -13.288 222 HH11 ARG 31 HH12 ARG 31 -3.005 10.358 -12.995 223 HH12 ARG 31 HH11 ARG 31 -3.134 10.869 -14.624 224 HH21 ARG 31 HH22 ARG 31 -5.962 8.948 -15.389 225 HH22 ARG 31 HH21 ARG 31 -4.798 10.117 -15.946 226 H LEU 32 H LEU 32 -1.754 5.218 -9.391 227 HA LEU 32 HA LEU 32 -2.725 2.407 -9.634 228 HB2 LEU 32 HB1 LEU 32 -0.465 2.495 -9.007 229 HB3 LEU 32 HB2 LEU 32 -0.705 3.860 -7.907 230 HG LEU 32 HG LEU 32 -1.862 2.376 -6.309 231 HD11 LEU 32 HD11 LEU 32 -1.322 0.240 -8.418 232 HD12 LEU 32 HD12 LEU 32 -2.880 0.721 -7.704 233 HD13 LEU 32 HD13 LEU 32 -1.696 -0.130 -6.716 234 HD21 LEU 32 HD21 LEU 32 0.587 2.698 -6.173 235 HD22 LEU 32 HD22 LEU 32 0.836 1.303 -7.250 236 HD23 LEU 32 HD23 LEU 32 0.122 1.076 -5.639 237 H VAL 33 H VAL 33 -4.754 2.199 -9.017 238 HA VAL 33 HA VAL 33 -6.022 4.351 -7.388 239 HB VAL 33 HB VAL 33 -8.144 3.704 -8.358 240 HG11 VAL 33 HG11 VAL 33 -7.741 4.391 -10.676 241 HG12 VAL 33 HG12 VAL 33 -6.743 5.339 -9.573 242 HG13 VAL 33 HG13 VAL 33 -6.010 4.032 -10.508 243 HG21 VAL 33 HG21 VAL 33 -7.757 1.250 -8.694 244 HG22 VAL 33 HG22 VAL 33 -8.405 2.067 -10.121 245 HG23 VAL 33 HG23 VAL 33 -6.691 1.650 -10.059 246 H GLY 34 H GLY 34 -5.153 0.992 -7.110 247 HA2 GLY 34 HA3 GLY 34 -5.999 0.774 -4.428 248 HA3 GLY 34 HA2 GLY 34 -7.235 0.023 -5.464 249 H ALA 35 H ALA 35 -6.520 -1.905 -4.165 250 HA ALA 35 HA ALA 35 -4.614 -3.429 -5.777 251 HB1 ALA 35 HB1 ALA 35 -3.676 -4.326 -3.450 252 HB2 ALA 35 HB2 ALA 35 -3.074 -2.770 -4.061 253 HB3 ALA 35 HB3 ALA 35 -4.310 -2.828 -2.788 254 H ARG 36 H ARG 36 -4.725 -5.953 -4.955 255 HA ARG 36 HA ARG 36 -7.258 -6.656 -3.664 256 HB2 ARG 36 HB1 ARG 36 -8.058 -6.079 -5.847 257 HB3 ARG 36 HB2 ARG 36 -6.694 -6.875 -6.654 258 HG2 ARG 36 HG1 ARG 36 -7.492 -9.038 -6.112 259 HG3 ARG 36 HG2 ARG 36 -8.595 -8.389 -4.877 260 HD2 ARG 36 HD1 ARG 36 -9.782 -7.173 -6.808 261 HD3 ARG 36 HD2 ARG 36 -8.794 -8.148 -7.913 262 HE ARG 36 HE ARG 36 -10.196 -9.918 -7.543 263 HH11 ARG 36 HH12 ARG 36 -10.654 -7.762 -4.763 264 HH12 ARG 36 HH11 ARG 36 -12.063 -8.595 -4.206 265 HH21 ARG 36 HH22 ARG 36 -12.099 -10.912 -6.812 266 HH22 ARG 36 HH21 ARG 36 -12.892 -10.340 -5.374 267 H THR 37 H THR 37 -6.889 -8.609 -2.599 268 HA THR 37 HA THR 37 -4.652 -10.340 -3.556 269 HB THR 37 HB THR 37 -3.594 -9.061 -1.879 270 HG1 THR 37 HG1 THR 37 -3.043 -11.051 -1.592 271 HG21 THR 37 HG21 THR 37 -5.960 -9.621 -0.052 272 HG22 THR 37 HG22 THR 37 -5.454 -8.033 -0.669 273 HG23 THR 37 HG23 THR 37 -4.412 -8.913 0.454 274 HA PRO 38 HA PRO 38 -7.717 -13.548 -2.398 275 HB2 PRO 38 HB1 PRO 38 -6.059 -15.596 -1.576 276 HB3 PRO 38 HB2 PRO 38 -6.413 -15.190 -3.283 277 HG2 PRO 38 HG1 PRO 38 -4.019 -14.328 -1.653 278 HG3 PRO 38 HG2 PRO 38 -4.037 -15.065 -3.299 279 HD2 PRO 38 HD1 PRO 38 -3.874 -12.386 -3.006 280 HD3 PRO 38 HD2 PRO 38 -4.934 -13.090 -4.258 281 H VAL 39 H VAL 39 -5.097 -12.498 -0.230 282 HA VAL 39 HA VAL 39 -6.262 -13.959 2.003 283 HB VAL 39 HB VAL 39 -4.464 -13.408 3.326 284 HG11 VAL 39 HG11 VAL 39 -2.578 -14.089 2.001 285 HG12 VAL 39 HG12 VAL 39 -4.014 -14.876 1.334 286 HG13 VAL 39 HG13 VAL 39 -3.310 -13.473 0.505 287 HG21 VAL 39 HG21 VAL 39 -2.748 -11.692 2.813 288 HG22 VAL 39 HG22 VAL 39 -3.750 -11.098 1.477 289 HG23 VAL 39 HG23 VAL 39 -4.324 -10.974 3.147 290 H ALA 40 H ALA 40 -7.353 -11.079 0.786 291 HA ALA 40 HA ALA 40 -8.527 -10.210 3.346 292 HB1 ALA 40 HB1 ALA 40 -7.034 -8.242 1.577 293 HB2 ALA 40 HB2 ALA 40 -7.794 -7.927 3.145 294 HB3 ALA 40 HB3 ALA 40 -6.350 -8.955 3.057 295 H GLU 41 H GLU 41 -10.107 -8.455 3.056 296 HA GLU 41 HA GLU 41 -11.748 -8.890 0.617 297 HB2 GLU 41 HB1 GLU 41 -12.372 -9.613 3.061 298 HB3 GLU 41 HB2 GLU 41 -12.812 -7.928 3.299 299 HG2 GLU 41 HG1 GLU 41 -14.816 -8.994 2.629 300 HG3 GLU 41 HG2 GLU 41 -14.267 -8.196 1.154 301 H ARG 42 H ARG 42 -11.881 -6.238 3.095 302 HA ARG 42 HA ARG 42 -12.179 -4.265 0.925 303 HB2 ARG 42 HB1 ARG 42 -13.683 -4.001 2.736 304 HB3 ARG 42 HB2 ARG 42 -12.381 -4.045 3.935 305 HG2 ARG 42 HG1 ARG 42 -11.506 -1.921 3.156 306 HG3 ARG 42 HG2 ARG 42 -12.676 -1.861 1.830 307 HD2 ARG 42 HD1 ARG 42 -13.539 -2.059 4.736 308 HD3 ARG 42 HD2 ARG 42 -13.190 -0.495 3.997 309 HE ARG 42 HE ARG 42 -15.460 -2.301 3.449 310 HH11 ARG 42 HH12 ARG 42 -13.774 0.666 2.407 311 HH12 ARG 42 HH11 ARG 42 -15.141 1.241 1.527 312 HH21 ARG 42 HH22 ARG 42 -17.182 -1.495 2.230 313 HH22 ARG 42 HH21 ARG 42 -17.025 0.042 1.423 314 H VAL 43 H VAL 43 -10.461 -3.731 -0.028 315 HA VAL 43 HA VAL 43 -7.975 -2.994 1.426 316 HB VAL 43 HB VAL 43 -7.494 -4.959 0.242 317 HG11 VAL 43 HG11 VAL 43 -9.387 -5.066 -1.308 318 HG12 VAL 43 HG12 VAL 43 -8.700 -3.729 -2.250 319 HG13 VAL 43 HG13 VAL 43 -7.855 -5.297 -2.135 320 HG21 VAL 43 HG21 VAL 43 -6.456 -2.718 -1.539 321 HG22 VAL 43 HG22 VAL 43 -5.793 -3.122 0.056 322 HG23 VAL 43 HG23 VAL 43 -5.724 -4.310 -1.257 323 H GLU 44 H GLU 44 -7.234 -1.009 1.152 324 HA GLU 44 HA GLU 44 -8.417 0.849 -0.898 325 HB2 GLU 44 HB1 GLU 44 -8.279 1.245 2.118 326 HB3 GLU 44 HB2 GLU 44 -8.865 2.430 0.933 327 HG2 GLU 44 HG1 GLU 44 -10.764 0.983 0.401 328 HG3 GLU 44 HG2 GLU 44 -10.177 -0.248 1.542 329 H LEU 45 H LEU 45 -6.763 2.306 -1.715 330 HA LEU 45 HA LEU 45 -4.256 2.401 -0.239 331 HB2 LEU 45 HB1 LEU 45 -4.571 2.442 -2.790 332 HB3 LEU 45 HB2 LEU 45 -4.996 4.142 -2.612 333 HG LEU 45 HG LEU 45 -2.467 3.058 -1.289 334 HD11 LEU 45 HD11 LEU 45 -2.675 3.887 -4.197 335 HD12 LEU 45 HD12 LEU 45 -2.436 2.236 -3.603 336 HD13 LEU 45 HD13 LEU 45 -1.187 3.460 -3.287 337 HD21 LEU 45 HD21 LEU 45 -1.597 5.292 -1.737 338 HD22 LEU 45 HD22 LEU 45 -3.145 5.447 -0.904 339 HD23 LEU 45 HD23 LEU 45 -3.065 5.710 -2.660 340 H HIS 46 H HIS 46 -3.825 3.610 1.328 341 HA HIS 46 HA HIS 46 -5.277 6.148 1.853 342 HB2 HIS 46 HB1 HIS 46 -4.070 4.065 3.687 343 HB3 HIS 46 HB2 HIS 46 -4.354 5.720 4.250 344 HD2 HIS 46 HD2 HIS 46 -7.038 3.645 2.259 345 HE1 HIS 46 HE1 HIS 46 -8.482 4.280 6.178 346 HE2 HIS 46 HE2 HIS 46 -8.991 3.212 3.910 347 H GLU 47 H GLU 47 -4.104 7.823 2.800 348 HA GLU 47 HA GLU 47 -1.142 7.734 2.449 349 HB2 GLU 47 HB1 GLU 47 -1.058 10.053 2.079 350 HB3 GLU 47 HB2 GLU 47 -2.147 9.308 0.889 351 HG2 GLU 47 HG1 GLU 47 -4.077 10.205 1.964 352 HG3 GLU 47 HG2 GLU 47 -3.147 10.676 3.409 353 H THR 48 H THR 48 -0.229 9.638 3.940 354 HA THR 48 HA THR 48 -1.474 9.630 6.625 355 HB THR 48 HB THR 48 1.392 8.758 6.222 356 HG1 THR 48 HG1 THR 48 -0.951 7.457 6.043 357 HG21 THR 48 HG21 THR 48 0.971 9.825 8.382 358 HG22 THR 48 HG22 THR 48 1.166 8.082 8.617 359 HG23 THR 48 HG23 THR 48 -0.455 8.805 8.647 360 H PHE 49 H PHE 49 -1.759 11.704 6.739 361 HA PHE 49 HA PHE 49 0.202 13.586 5.551 362 HB2 PHE 49 HB1 PHE 49 -1.709 15.048 5.274 363 HB3 PHE 49 HB2 PHE 49 -2.026 13.457 4.566 364 HD1 PHE 49 HD2 PHE 49 -2.932 15.804 7.314 365 HD2 PHE 49 HD1 PHE 49 -3.805 12.037 5.415 366 HE1 PHE 49 HE2 PHE 49 -5.040 15.657 8.587 367 HE2 PHE 49 HE1 PHE 49 -5.924 11.896 6.683 368 HZ PHE 49 HZ PHE 49 -6.552 13.721 8.253 369 H MET 50 H MET 50 -0.284 15.902 6.509 370 HA MET 50 HA MET 50 -0.593 15.925 9.421 371 HB2 MET 50 HB1 MET 50 1.356 17.307 9.819 372 HB3 MET 50 HB2 MET 50 1.853 15.775 9.068 373 HG2 MET 50 HG1 MET 50 1.842 17.015 6.845 374 HG3 MET 50 HG2 MET 50 1.631 18.515 7.757 375 HE1 MET 50 HE1 MET 50 5.252 18.898 6.513 376 HE2 MET 50 HE2 MET 50 3.800 18.303 5.684 377 HE3 MET 50 HE3 MET 50 3.685 19.699 6.779 378 H ARG 51 H ARG 51 -1.660 17.730 10.154 379 HA ARG 51 HA ARG 51 -1.805 20.170 8.569 380 HB2 ARG 51 HB1 ARG 51 -3.560 18.551 7.729 381 HB3 ARG 51 HB2 ARG 51 -4.329 18.623 9.319 382 HG2 ARG 51 HG1 ARG 51 -4.907 20.929 9.032 383 HG3 ARG 51 HG2 ARG 51 -3.747 21.132 7.693 384 HD2 ARG 51 HD1 ARG 51 -5.053 19.553 6.314 385 HD3 ARG 51 HD2 ARG 51 -6.190 19.329 7.661 386 HE ARG 51 HE ARG 51 -7.204 21.340 7.073 387 HH11 ARG 51 HH12 ARG 51 -3.994 21.394 5.590 388 HH12 ARG 51 HH11 ARG 51 -4.324 22.841 4.686 389 HH21 ARG 51 HH22 ARG 51 -7.576 23.193 5.866 390 HH22 ARG 51 HH21 ARG 51 -6.330 23.832 4.834 391 H GLU 52 H GLU 52 -2.641 21.921 9.734 392 HA GLU 52 HA GLU 52 -2.076 21.811 12.567 393 HB2 GLU 52 HB1 GLU 52 -2.490 24.042 10.596 394 HB3 GLU 52 HB2 GLU 52 -2.145 24.283 12.336 395 HG2 GLU 52 HG1 GLU 52 -0.076 24.389 11.064 396 HG3 GLU 52 HG2 GLU 52 -0.079 22.978 12.131 397 H VAL 53 H VAL 53 -3.149 22.646 14.159 398 HA VAL 53 HA VAL 53 -6.154 22.827 13.976 399 HB VAL 53 HB VAL 53 -4.606 21.498 16.208 400 HG11 VAL 53 HG11 VAL 53 -6.801 22.431 16.927 401 HG12 VAL 53 HG12 VAL 53 -7.600 21.585 15.586 402 HG13 VAL 53 HG13 VAL 53 -6.839 20.667 16.901 403 HG21 VAL 53 HG21 VAL 53 -6.155 20.232 13.904 404 HG22 VAL 53 HG22 VAL 53 -4.409 20.095 14.209 405 HG23 VAL 53 HG23 VAL 53 -5.555 19.364 15.333 406 H GLU 54 H GLU 54 -4.448 23.161 16.899 407 HA GLU 54 HA GLU 54 -5.231 25.909 17.448 408 HB2 GLU 54 HB1 GLU 54 -4.939 23.916 19.028 409 HB3 GLU 54 HB2 GLU 54 -3.193 24.162 18.866 410 HG2 GLU 54 HG1 GLU 54 -3.731 26.592 19.712 411 HG3 GLU 54 HG2 GLU 54 -5.282 25.900 20.227 412 H GLY 55 H GLY 55 -3.783 25.878 15.011 413 HA2 GLY 55 HA3 GLY 55 -1.910 26.587 13.852 414 HA3 GLY 55 HA2 GLY 55 -1.234 27.239 15.362 415 H LYS 56 H LYS 56 -1.737 24.385 16.492 416 HA LYS 56 HA LYS 56 0.952 23.397 16.088 417 HB2 LYS 56 HB1 LYS 56 -1.443 22.444 17.715 418 HB3 LYS 56 HB2 LYS 56 0.165 21.702 17.785 419 HG2 LYS 56 HG1 LYS 56 1.135 23.765 18.647 420 HG3 LYS 56 HG2 LYS 56 -0.417 24.616 18.453 421 HD2 LYS 56 HD1 LYS 56 -1.418 22.911 20.059 422 HD3 LYS 56 HD2 LYS 56 0.231 22.388 20.420 423 HE2 LYS 56 HE1 LYS 56 0.819 24.608 21.236 424 HE3 LYS 56 HE2 LYS 56 -0.714 25.283 20.574 425 HZ1 LYS 56 HZ1 LYS 56 -0.464 23.528 22.941 426 HZ2 LYS 56 HZ2 LYS 56 -1.878 23.811 22.111 427 HZ3 LYS 56 HZ3 LYS 56 -1.184 25.044 22.764 428 H LYS 57 H LYS 57 1.589 21.687 14.912 429 HA LYS 57 HA LYS 57 -0.208 20.639 12.878 430 HB2 LYS 57 HB1 LYS 57 1.764 19.829 11.854 431 HB3 LYS 57 HB2 LYS 57 1.955 21.526 12.366 432 HG2 LYS 57 HG1 LYS 57 3.939 20.910 13.142 433 HG3 LYS 57 HG2 LYS 57 3.094 20.137 14.483 434 HD2 LYS 57 HD1 LYS 57 4.687 18.573 13.513 435 HD3 LYS 57 HD2 LYS 57 3.047 18.001 13.146 436 HE2 LYS 57 HE1 LYS 57 3.206 19.030 10.891 437 HE3 LYS 57 HE2 LYS 57 4.822 19.650 11.272 438 HZ1 LYS 57 HZ1 LYS 57 5.576 17.363 11.429 439 HZ2 LYS 57 HZ2 LYS 57 4.832 17.593 9.975 440 HZ3 LYS 57 HZ3 LYS 57 4.050 16.790 11.163 441 H VAL 58 H VAL 58 -1.285 18.794 12.887 442 HA VAL 58 HA VAL 58 -0.525 16.547 14.723 443 HB VAL 58 HB VAL 58 -3.288 17.495 13.903 444 HG11 VAL 58 HG11 VAL 58 -4.082 15.874 15.660 445 HG12 VAL 58 HG12 VAL 58 -3.343 15.087 14.271 446 HG13 VAL 58 HG13 VAL 58 -2.420 15.253 15.783 447 HG21 VAL 58 HG21 VAL 58 -1.831 17.708 16.578 448 HG22 VAL 58 HG22 VAL 58 -2.320 19.060 15.534 449 HG23 VAL 58 HG23 VAL 58 -3.550 18.081 16.329 450 H MET 59 H MET 59 -0.921 14.409 13.899 451 HA MET 59 HA MET 59 -0.776 14.211 10.930 452 HB2 MET 59 HB1 MET 59 0.106 11.992 11.277 453 HB3 MET 59 HB2 MET 59 1.090 13.259 12.035 454 HG2 MET 59 HG1 MET 59 0.361 12.639 14.220 455 HG3 MET 59 HG2 MET 59 -0.948 11.619 13.591 456 HE1 MET 59 HE1 MET 59 2.650 11.611 11.984 457 HE2 MET 59 HE2 MET 59 2.957 12.067 13.680 458 HE3 MET 59 HE3 MET 59 3.508 10.487 13.064 459 H GLY 60 H GLY 60 -1.926 12.570 9.780 460 HA2 GLY 60 HA3 GLY 60 -4.029 11.061 11.142 461 HA3 GLY 60 HA2 GLY 60 -4.622 12.302 10.015 462 H MET 61 H MET 61 -5.319 9.731 9.543 463 HA MET 61 HA MET 61 -3.875 9.100 7.008 464 HB2 MET 61 HB1 MET 61 -5.011 7.134 9.037 465 HB3 MET 61 HB2 MET 61 -4.519 6.699 7.380 466 HG2 MET 61 HG1 MET 61 -2.233 7.388 7.838 467 HG3 MET 61 HG2 MET 61 -2.669 7.900 9.473 468 HE1 MET 61 HE1 MET 61 -0.250 5.988 8.730 469 HE2 MET 61 HE2 MET 61 -0.634 6.542 10.377 470 HE3 MET 61 HE3 MET 61 -0.374 4.811 10.048 471 H ARG 62 H ARG 62 -5.218 8.429 5.317 472 HA ARG 62 HA ARG 62 -8.076 8.075 5.645 473 HB2 ARG 62 HB1 ARG 62 -6.983 10.644 4.507 474 HB3 ARG 62 HB2 ARG 62 -8.403 9.895 3.721 475 HG2 ARG 62 HG1 ARG 62 -9.410 9.849 6.120 476 HG3 ARG 62 HG2 ARG 62 -8.167 11.068 6.489 477 HD2 ARG 62 HD1 ARG 62 -10.165 12.250 5.892 478 HD3 ARG 62 HD2 ARG 62 -9.019 12.427 4.548 479 HE ARG 62 HE ARG 62 -10.468 11.280 3.179 480 HH11 ARG 62 HH12 ARG 62 -11.511 10.620 6.476 481 HH12 ARG 62 HH11 ARG 62 -13.060 9.986 5.981 482 HH21 ARG 62 HH22 ARG 62 -12.432 10.378 2.580 483 HH22 ARG 62 HH21 ARG 62 -13.520 9.753 3.781 484 HA PRO 63 HA PRO 63 -7.195 6.065 1.674 485 HB2 PRO 63 HB1 PRO 63 -9.794 5.920 0.696 486 HB3 PRO 63 HB2 PRO 63 -8.934 4.661 1.602 487 HG2 PRO 63 HG1 PRO 63 -11.085 6.388 2.497 488 HG3 PRO 63 HG2 PRO 63 -10.374 4.967 3.333 489 HD2 PRO 63 HD1 PRO 63 -9.998 7.813 3.855 490 HD3 PRO 63 HD2 PRO 63 -9.358 6.435 4.771 491 H VAL 64 H VAL 64 -6.996 6.719 -0.373 492 HA VAL 64 HA VAL 64 -7.933 9.470 -1.134 493 HB VAL 64 HB VAL 64 -5.901 9.391 -2.735 494 HG11 VAL 64 HG11 VAL 64 -6.099 10.931 -0.853 495 HG12 VAL 64 HG12 VAL 64 -5.485 9.686 0.260 496 HG13 VAL 64 HG13 VAL 64 -4.429 10.357 -1.008 497 HG21 VAL 64 HG21 VAL 64 -4.796 7.410 -0.709 498 HG22 VAL 64 HG22 VAL 64 -5.261 7.008 -2.384 499 HG23 VAL 64 HG23 VAL 64 -3.942 8.153 -2.066 500 HA PRO 65 HA PRO 65 -9.780 7.517 -4.689 501 HB2 PRO 65 HB1 PRO 65 -9.422 9.310 -6.722 502 HB3 PRO 65 HB2 PRO 65 -10.562 9.580 -5.368 503 HG2 PRO 65 HG1 PRO 65 -7.715 10.602 -5.626 504 HG3 PRO 65 HG2 PRO 65 -9.195 11.543 -5.213 505 HD2 PRO 65 HD1 PRO 65 -7.533 10.617 -3.273 506 HD3 PRO 65 HD2 PRO 65 -9.308 10.563 -3.053 507 H PHE 66 H PHE 66 -6.354 8.501 -4.801 508 HA PHE 66 HA PHE 66 -5.458 6.113 -5.936 509 HB2 PHE 66 HB1 PHE 66 -4.647 6.868 -8.121 510 HB3 PHE 66 HB2 PHE 66 -6.403 6.766 -8.035 511 HD1 PHE 66 HD2 PHE 66 -3.515 9.111 -8.191 512 HD2 PHE 66 HD1 PHE 66 -7.797 8.671 -8.422 513 HE1 PHE 66 HE2 PHE 66 -3.688 11.370 -9.176 514 HE2 PHE 66 HE1 PHE 66 -7.974 10.950 -9.383 515 HZ PHE 66 HZ PHE 66 -5.918 12.304 -9.775 516 H LEU 67 H LEU 67 -3.214 6.132 -6.399 517 HA LEU 67 HA LEU 67 -1.661 8.608 -5.847 518 HB2 LEU 67 HB1 LEU 67 -1.104 5.723 -5.206 519 HB3 LEU 67 HB2 LEU 67 0.251 6.650 -5.891 520 HG LEU 67 HG LEU 67 -1.217 7.236 -3.302 521 HD11 LEU 67 HD11 LEU 67 1.618 6.340 -4.075 522 HD12 LEU 67 HD12 LEU 67 0.386 5.320 -3.296 523 HD13 LEU 67 HD13 LEU 67 1.096 6.689 -2.425 524 HD21 LEU 67 HD21 LEU 67 1.019 8.779 -4.713 525 HD22 LEU 67 HD22 LEU 67 0.649 8.942 -2.989 526 HD23 LEU 67 HD23 LEU 67 -0.562 9.410 -4.182 527 H GLU 68 H GLU 68 0.383 8.524 -7.316 528 HA GLU 68 HA GLU 68 0.285 6.689 -9.473 529 HB2 GLU 68 HB1 GLU 68 0.109 7.957 -11.362 530 HB3 GLU 68 HB2 GLU 68 -1.253 8.460 -10.364 531 HG2 GLU 68 HG1 GLU 68 -0.036 10.564 -9.829 532 HG3 GLU 68 HG2 GLU 68 1.307 10.013 -10.864 533 H VAL 69 H VAL 69 2.093 6.766 -10.834 534 HA VAL 69 HA VAL 69 4.504 8.000 -9.616 535 HB VAL 69 HB VAL 69 4.419 5.189 -10.811 536 HG11 VAL 69 HG11 VAL 69 6.522 6.592 -9.097 537 HG12 VAL 69 HG12 VAL 69 6.612 4.925 -9.708 538 HG13 VAL 69 HG13 VAL 69 6.644 6.279 -10.841 539 HG21 VAL 69 HG21 VAL 69 4.663 4.330 -8.497 540 HG22 VAL 69 HG22 VAL 69 4.314 5.956 -7.867 541 HG23 VAL 69 HG23 VAL 69 3.082 5.057 -8.787 542 HA PRO 70 HA PRO 70 4.810 9.238 -13.941 543 HB2 PRO 70 HB1 PRO 70 7.160 10.617 -13.886 544 HB3 PRO 70 HB2 PRO 70 5.657 11.240 -13.139 545 HG2 PRO 70 HG1 PRO 70 7.948 9.788 -11.787 546 HG3 PRO 70 HG2 PRO 70 7.134 11.302 -11.260 547 HD2 PRO 70 HD1 PRO 70 6.491 8.826 -10.254 548 HD3 PRO 70 HD2 PRO 70 5.267 10.105 -10.448 549 HA PRO 71 HA PRO 71 7.353 6.109 -15.780 550 HB2 PRO 71 HB1 PRO 71 8.460 7.303 -18.001 551 HB3 PRO 71 HB2 PRO 71 6.765 6.735 -17.853 552 HG2 PRO 71 HG1 PRO 71 7.828 9.537 -17.548 553 HG3 PRO 71 HG2 PRO 71 6.333 8.985 -18.391 554 HD2 PRO 71 HD1 PRO 71 6.309 10.034 -15.859 555 HD3 PRO 71 HD2 PRO 71 5.169 8.769 -16.374 556 H LYS 72 H LYS 72 9.301 5.258 -15.464 557 HA LYS 72 HA LYS 72 11.365 4.922 -14.668 558 HB2 LYS 72 HB1 LYS 72 12.130 7.768 -15.314 559 HB3 LYS 72 HB2 LYS 72 13.168 6.331 -15.264 560 HG2 LYS 72 HG1 LYS 72 11.004 6.944 -17.311 561 HG3 LYS 72 HG2 LYS 72 12.756 7.081 -17.527 562 HD2 LYS 72 HD1 LYS 72 13.014 4.667 -17.466 563 HD3 LYS 72 HD2 LYS 72 11.325 4.448 -16.926 564 HE2 LYS 72 HE1 LYS 72 10.483 5.395 -18.995 565 HE3 LYS 72 HE2 LYS 72 12.117 5.703 -19.590 566 HZ1 LYS 72 HZ1 LYS 72 10.968 3.027 -19.023 567 HZ2 LYS 72 HZ2 LYS 72 12.465 3.321 -19.656 568 HZ3 LYS 72 HZ3 LYS 72 11.117 3.714 -20.501 569 H GLY 73 H GLY 73 9.250 6.758 -13.177 570 HA2 GLY 73 HA3 GLY 73 10.804 7.557 -10.823 571 HA3 GLY 73 HA2 GLY 73 9.068 7.812 -11.114 572 H ARG 74 H ARG 74 9.663 7.067 -8.857 573 HA ARG 74 HA ARG 74 8.782 4.308 -8.404 574 HB2 ARG 74 HB1 ARG 74 11.111 3.890 -8.705 575 HB3 ARG 74 HB2 ARG 74 11.578 5.278 -7.698 576 HG2 ARG 74 HG1 ARG 74 11.185 4.162 -5.717 577 HG3 ARG 74 HG2 ARG 74 10.003 3.034 -6.426 578 HD2 ARG 74 HD1 ARG 74 11.553 1.631 -7.272 579 HD3 ARG 74 HD2 ARG 74 12.808 2.859 -7.421 580 HE ARG 74 HE ARG 74 12.282 2.464 -4.661 581 HH11 ARG 74 HH12 ARG 74 13.541 0.654 -7.467 582 HH12 ARG 74 HH11 ARG 74 14.734 -0.157 -6.490 583 HH21 ARG 74 HH22 ARG 74 13.712 1.302 -3.446 584 HH22 ARG 74 HH21 ARG 74 14.830 0.186 -4.256 585 H VAL 75 H VAL 75 7.983 3.884 -6.420 586 HA VAL 75 HA VAL 75 8.223 5.911 -4.251 587 HB VAL 75 HB VAL 75 5.892 5.417 -3.552 588 HG11 VAL 75 HG11 VAL 75 6.101 6.663 -6.335 589 HG12 VAL 75 HG12 VAL 75 4.797 6.915 -5.161 590 HG13 VAL 75 HG13 VAL 75 6.435 7.484 -4.796 591 HG21 VAL 75 HG21 VAL 75 5.527 3.276 -4.758 592 HG22 VAL 75 HG22 VAL 75 4.272 4.464 -5.145 593 HG23 VAL 75 HG23 VAL 75 5.571 4.132 -6.308 594 H GLU 76 H GLU 76 8.053 5.031 -2.127 595 HA GLU 76 HA GLU 76 7.963 2.075 -1.861 596 HB2 GLU 76 HB1 GLU 76 9.915 3.845 -0.344 597 HB3 GLU 76 HB2 GLU 76 9.630 2.097 -0.112 598 HG2 GLU 76 HG1 GLU 76 10.496 1.658 -2.378 599 HG3 GLU 76 HG2 GLU 76 10.801 3.392 -2.615 600 H LEU 77 H LEU 77 6.167 1.710 -0.801 601 HA LEU 77 HA LEU 77 4.651 3.895 0.333 602 HB2 LEU 77 HB1 LEU 77 4.119 1.019 -0.322 603 HB3 LEU 77 HB2 LEU 77 3.008 1.878 0.784 604 HG LEU 77 HG LEU 77 2.896 3.699 -1.051 605 HD11 LEU 77 HD11 LEU 77 3.209 2.864 -3.365 606 HD12 LEU 77 HD12 LEU 77 3.925 1.368 -2.731 607 HD13 LEU 77 HD13 LEU 77 4.737 2.929 -2.481 608 HD21 LEU 77 HD21 LEU 77 1.089 2.498 -2.243 609 HD22 LEU 77 HD22 LEU 77 0.987 2.311 -0.490 610 HD23 LEU 77 HD23 LEU 77 1.606 0.980 -1.483 611 H LYS 78 H LYS 78 5.474 4.709 2.097 612 HA LYS 78 HA LYS 78 6.242 3.012 4.350 613 HB2 LYS 78 HB1 LYS 78 7.065 5.218 5.264 614 HB3 LYS 78 HB2 LYS 78 7.758 4.766 3.689 615 HG2 LYS 78 HG1 LYS 78 6.266 6.292 2.535 616 HG3 LYS 78 HG2 LYS 78 5.416 6.634 4.065 617 HD2 LYS 78 HD1 LYS 78 6.706 8.523 3.640 618 HD3 LYS 78 HD2 LYS 78 7.540 7.664 4.931 619 HE2 LYS 78 HE1 LYS 78 9.240 6.891 3.392 620 HE3 LYS 78 HE2 LYS 78 8.254 7.350 1.983 621 HZ1 LYS 78 HZ1 LYS 78 10.007 8.974 2.473 622 HZ2 LYS 78 HZ2 LYS 78 9.363 9.256 3.967 623 HZ3 LYS 78 HZ3 LYS 78 8.518 9.645 2.618 624 HA PRO 79 HA PRO 79 2.444 3.693 6.665 625 HB2 PRO 79 HB1 PRO 79 3.324 3.403 9.250 626 HB3 PRO 79 HB2 PRO 79 3.094 2.036 8.124 627 HG2 PRO 79 HG1 PRO 79 5.663 3.507 8.762 628 HG3 PRO 79 HG2 PRO 79 5.387 1.729 8.705 629 HD2 PRO 79 HD1 PRO 79 6.474 3.078 6.600 630 HD3 PRO 79 HD2 PRO 79 5.323 1.732 6.339 631 H GLY 80 H GLY 80 5.305 5.708 7.095 632 HA2 GLY 80 HA3 GLY 80 3.604 7.943 8.079 633 HA3 GLY 80 HA2 GLY 80 5.382 7.919 8.053 634 H GLY 81 H GLY 81 2.789 7.292 5.623 635 HA2 GLY 81 HA3 GLY 81 3.304 9.521 3.958 636 HA3 GLY 81 HA2 GLY 81 4.271 8.154 3.359 637 H TYR 82 H TYR 82 2.999 6.090 2.993 638 HA TYR 82 HA TYR 82 0.272 6.378 1.938 639 HB2 TYR 82 HB1 TYR 82 2.644 5.952 0.096 640 HB3 TYR 82 HB2 TYR 82 0.930 5.846 -0.345 641 HD1 TYR 82 HD1 TYR 82 -0.503 7.927 -0.259 642 HD2 TYR 82 HD2 TYR 82 3.779 8.052 0.221 643 HE1 TYR 82 HE1 TYR 82 -0.552 10.395 -0.535 644 HE2 TYR 82 HE2 TYR 82 3.739 10.517 -0.012 645 HH TYR 82 HH TYR 82 0.632 12.297 -0.325 646 H HIS 83 H HIS 83 -0.733 4.353 1.758 647 HA HIS 83 HA HIS 83 0.737 1.851 1.788 648 HB2 HIS 83 HB1 HIS 83 0.275 1.205 4.059 649 HB3 HIS 83 HB2 HIS 83 1.230 2.683 4.098 650 HD1 HIS 83 HD1 HIS 83 -0.084 4.900 5.110 651 HD2 HIS 83 HD2 HIS 83 -2.256 1.302 4.926 652 HE1 HIS 83 HE1 HIS 83 -2.205 5.257 6.463 653 H PHE 84 H PHE 84 -0.911 0.017 2.439 654 HA PHE 84 HA PHE 84 -3.600 0.730 1.339 655 HB2 PHE 84 HB1 PHE 84 -2.043 -1.869 1.455 656 HB3 PHE 84 HB2 PHE 84 -3.772 -1.776 1.057 657 HD1 PHE 84 HD1 PHE 84 -4.371 -0.055 -0.878 658 HD2 PHE 84 HD2 PHE 84 -0.492 -1.848 -0.318 659 HE1 PHE 84 HE1 PHE 84 -3.847 0.324 -3.271 660 HE2 PHE 84 HE2 PHE 84 0.026 -1.440 -2.712 661 HZ PHE 84 HZ PHE 84 -1.637 -0.328 -4.184 662 H MET 85 H MET 85 -5.249 0.763 2.825 663 HA MET 85 HA MET 85 -4.925 -0.650 5.428 664 HB2 MET 85 HB1 MET 85 -6.952 1.200 4.223 665 HB3 MET 85 HB2 MET 85 -7.561 -0.027 5.365 666 HG2 MET 85 HG1 MET 85 -5.334 1.945 5.952 667 HG3 MET 85 HG2 MET 85 -7.026 2.080 6.493 668 HE1 MET 85 HE1 MET 85 -4.077 1.993 8.046 669 HE2 MET 85 HE2 MET 85 -3.688 0.400 8.745 670 HE3 MET 85 HE3 MET 85 -3.595 0.675 6.976 671 H LEU 86 H LEU 86 -5.530 -2.619 5.825 672 HA LEU 86 HA LEU 86 -7.320 -4.035 3.902 673 HB2 LEU 86 HB1 LEU 86 -5.329 -5.276 5.832 674 HB3 LEU 86 HB2 LEU 86 -6.368 -6.131 4.670 675 HG LEU 86 HG LEU 86 -3.961 -4.360 4.073 676 HD11 LEU 86 HD11 LEU 86 -4.505 -7.315 3.539 677 HD12 LEU 86 HD12 LEU 86 -3.512 -6.684 4.864 678 HD13 LEU 86 HD13 LEU 86 -3.005 -6.439 3.185 679 HD21 LEU 86 HD21 LEU 86 -4.305 -4.981 1.677 680 HD22 LEU 86 HD22 LEU 86 -5.576 -3.934 2.301 681 HD23 LEU 86 HD23 LEU 86 -5.890 -5.674 2.105 682 H LEU 87 H LEU 87 -9.198 -4.625 4.646 683 HA LEU 87 HA LEU 87 -9.824 -4.776 7.548 684 HB2 LEU 87 HB1 LEU 87 -10.758 -2.877 5.484 685 HB3 LEU 87 HB2 LEU 87 -12.103 -3.707 6.293 686 HG LEU 87 HG LEU 87 -9.885 -2.353 7.864 687 HD11 LEU 87 HD11 LEU 87 -10.890 -0.649 6.386 688 HD12 LEU 87 HD12 LEU 87 -11.377 -0.391 8.070 689 HD13 LEU 87 HD13 LEU 87 -12.518 -1.125 6.921 690 HD21 LEU 87 HD21 LEU 87 -11.445 -4.018 8.985 691 HD22 LEU 87 HD22 LEU 87 -12.802 -2.986 8.539 692 HD23 LEU 87 HD23 LEU 87 -11.557 -2.377 9.654 693 H GLY 88 H GLY 88 -10.576 -6.749 7.962 694 HA2 GLY 88 HA3 GLY 88 -11.823 -8.732 7.692 695 HA3 GLY 88 HA2 GLY 88 -12.365 -8.180 6.091 696 H LEU 89 H LEU 89 -10.288 -10.292 7.739 697 HA LEU 89 HA LEU 89 -8.676 -10.783 5.272 698 HB2 LEU 89 HB1 LEU 89 -8.000 -11.550 8.105 699 HB3 LEU 89 HB2 LEU 89 -7.055 -11.897 6.628 700 HG LEU 89 HG LEU 89 -7.443 -9.228 8.003 701 HD11 LEU 89 HD11 LEU 89 -5.778 -10.784 8.965 702 HD12 LEU 89 HD12 LEU 89 -4.956 -9.419 8.187 703 HD13 LEU 89 HD13 LEU 89 -5.023 -10.986 7.370 704 HD21 LEU 89 HD21 LEU 89 -7.471 -8.750 5.595 705 HD22 LEU 89 HD22 LEU 89 -6.024 -9.761 5.360 706 HD23 LEU 89 HD23 LEU 89 -5.936 -8.254 6.305 707 H LYS 90 H LYS 90 -8.665 -12.737 4.369 708 HA LYS 90 HA LYS 90 -10.576 -14.787 5.300 709 HB2 LYS 90 HB1 LYS 90 -8.673 -14.863 2.936 710 HB3 LYS 90 HB2 LYS 90 -10.092 -15.898 3.225 711 HG2 LYS 90 HG1 LYS 90 -11.502 -13.762 3.083 712 HG3 LYS 90 HG2 LYS 90 -10.029 -12.941 2.505 713 HD2 LYS 90 HD1 LYS 90 -9.932 -14.922 0.783 714 HD3 LYS 90 HD2 LYS 90 -11.644 -15.130 1.160 715 HE2 LYS 90 HE1 LYS 90 -10.488 -12.411 0.414 716 HE3 LYS 90 HE2 LYS 90 -10.944 -13.581 -0.841 717 HZ1 LYS 90 HZ1 LYS 90 -13.213 -13.517 0.032 718 HZ2 LYS 90 HZ2 LYS 90 -12.749 -11.962 -0.224 719 HZ3 LYS 90 HZ3 LYS 90 -12.795 -12.512 1.242 720 H ARG 91 H ARG 91 -7.621 -13.976 6.382 721 HA ARG 91 HA ARG 91 -6.827 -16.668 7.265 722 HB2 ARG 91 HB1 ARG 91 -4.903 -14.781 5.848 723 HB3 ARG 91 HB2 ARG 91 -4.502 -16.357 6.567 724 HG2 ARG 91 HG1 ARG 91 -5.929 -17.460 4.855 725 HG3 ARG 91 HG2 ARG 91 -6.190 -15.862 4.096 726 HD2 ARG 91 HD1 ARG 91 -4.443 -16.937 2.879 727 HD3 ARG 91 HD2 ARG 91 -3.709 -15.635 3.834 728 HE ARG 91 HE ARG 91 -2.361 -17.218 4.836 729 HH11 ARG 91 HH12 ARG 91 -5.190 -19.039 3.686 730 HH12 ARG 91 HH11 ARG 91 -4.405 -20.561 4.026 731 HH21 ARG 91 HH22 ARG 91 -1.508 -19.048 5.260 732 HH22 ARG 91 HH21 ARG 91 -2.262 -20.585 4.866 733 HA PRO 92 HA PRO 92 -4.824 -13.955 10.495 734 HB2 PRO 92 HB1 PRO 92 -3.185 -15.749 11.670 735 HB3 PRO 92 HB2 PRO 92 -4.951 -15.799 11.969 736 HG2 PRO 92 HG1 PRO 92 -3.348 -17.457 9.998 737 HG3 PRO 92 HG2 PRO 92 -4.569 -18.032 11.187 738 HD2 PRO 92 HD1 PRO 92 -5.142 -17.524 8.526 739 HD3 PRO 92 HD2 PRO 92 -6.340 -17.308 9.833 740 H LEU 93 H LEU 93 -2.437 -13.321 10.708 741 HA LEU 93 HA LEU 93 -0.897 -13.953 8.215 742 HB2 LEU 93 HB1 LEU 93 -0.922 -11.403 9.870 743 HB3 LEU 93 HB2 LEU 93 0.098 -11.704 8.448 744 HG LEU 93 HG LEU 93 -2.958 -11.671 8.402 745 HD11 LEU 93 HD11 LEU 93 -2.796 -9.474 7.345 746 HD12 LEU 93 HD12 LEU 93 -1.044 -9.492 7.526 747 HD13 LEU 93 HD13 LEU 93 -2.077 -9.443 8.971 748 HD21 LEU 93 HD21 LEU 93 -2.005 -12.993 6.549 749 HD22 LEU 93 HD22 LEU 93 -0.903 -11.658 6.140 750 HD23 LEU 93 HD23 LEU 93 -2.659 -11.471 5.940 751 H LYS 94 H LYS 94 1.021 -14.900 8.476 752 HA LYS 94 HA LYS 94 2.190 -15.151 11.218 753 HB2 LYS 94 HB1 LYS 94 0.553 -16.906 10.537 754 HB3 LYS 94 HB2 LYS 94 1.532 -17.292 9.136 755 HG2 LYS 94 HG1 LYS 94 2.404 -17.628 12.009 756 HG3 LYS 94 HG2 LYS 94 1.654 -18.909 11.035 757 HD2 LYS 94 HD1 LYS 94 4.250 -17.531 10.337 758 HD3 LYS 94 HD2 LYS 94 4.131 -19.029 11.293 759 HE2 LYS 94 HE1 LYS 94 4.785 -19.657 9.128 760 HE3 LYS 94 HE2 LYS 94 3.098 -20.142 9.272 761 HZ1 LYS 94 HZ1 LYS 94 3.780 -17.550 8.041 762 HZ2 LYS 94 HZ2 LYS 94 2.474 -18.513 7.760 763 HZ3 LYS 94 HZ3 LYS 94 3.949 -18.917 7.172 764 H ALA 95 H ALA 95 4.407 -14.559 11.116 765 HA ALA 95 HA ALA 95 5.669 -13.817 8.727 766 HB1 ALA 95 HB1 ALA 95 6.417 -13.151 10.991 767 HB2 ALA 95 HB2 ALA 95 6.977 -14.818 11.295 768 HB3 ALA 95 HB3 ALA 95 7.751 -13.830 10.041 769 H GLY 96 H GLY 96 6.706 -14.782 7.056 770 HA2 GLY 96 HA3 GLY 96 7.653 -16.476 5.773 771 HA3 GLY 96 HA2 GLY 96 7.660 -17.547 7.192 772 H GLU 97 H GLU 97 4.840 -15.881 5.662 773 HA GLU 97 HA GLU 97 4.649 -17.983 3.798 774 HB2 GLU 97 HB1 GLU 97 2.260 -18.134 3.815 775 HB3 GLU 97 HB2 GLU 97 2.950 -18.678 5.344 776 HG2 GLU 97 HG1 GLU 97 2.229 -16.366 6.262 777 HG3 GLU 97 HG2 GLU 97 1.302 -16.188 4.760 778 H GLU 98 H GLU 98 3.380 -17.178 1.966 779 HA GLU 98 HA GLU 98 3.994 -14.291 1.566 780 HB2 GLU 98 HB1 GLU 98 4.182 -16.747 -0.174 781 HB3 GLU 98 HB2 GLU 98 4.185 -15.110 -0.881 782 HG2 GLU 98 HG1 GLU 98 6.453 -16.056 -0.578 783 HG3 GLU 98 HG2 GLU 98 6.206 -14.520 0.256 784 H VAL 99 H VAL 99 2.825 -13.035 0.135 785 HA VAL 99 HA VAL 99 -0.085 -13.710 -0.194 786 HB VAL 99 HB VAL 99 1.271 -11.089 0.607 787 HG11 VAL 99 HG11 VAL 99 -1.656 -11.658 0.039 788 HG12 VAL 99 HG12 VAL 99 -1.074 -10.205 0.876 789 HG13 VAL 99 HG13 VAL 99 -0.619 -10.479 -0.798 790 HG21 VAL 99 HG21 VAL 99 -0.025 -11.317 2.702 791 HG22 VAL 99 HG22 VAL 99 -0.626 -12.897 2.157 792 HG23 VAL 99 HG23 VAL 99 1.099 -12.658 2.480 793 H GLU 100 H GLU 100 -0.601 -13.829 -2.304 794 HA GLU 100 HA GLU 100 0.713 -12.245 -4.408 795 HB2 GLU 100 HB1 GLU 100 -1.753 -13.991 -4.281 796 HB3 GLU 100 HB2 GLU 100 -1.503 -12.848 -5.634 797 HG2 GLU 100 HG1 GLU 100 0.744 -13.968 -6.007 798 HG3 GLU 100 HG2 GLU 100 0.223 -15.218 -4.863 799 H LEU 101 H LEU 101 -0.021 -10.317 -5.304 800 HA LEU 101 HA LEU 101 -2.625 -9.251 -4.554 801 HB2 LEU 101 HB1 LEU 101 -1.213 -8.674 -2.670 802 HB3 LEU 101 HB2 LEU 101 -0.069 -7.849 -3.722 803 HG LEU 101 HG LEU 101 -2.936 -7.006 -3.301 804 HD11 LEU 101 HD11 LEU 101 -2.061 -5.298 -1.770 805 HD12 LEU 101 HD12 LEU 101 -0.421 -5.952 -1.965 806 HD13 LEU 101 HD13 LEU 101 -1.691 -6.930 -1.185 807 HD21 LEU 101 HD21 LEU 101 -2.328 -5.850 -5.199 808 HD22 LEU 101 HD22 LEU 101 -0.583 -5.910 -4.854 809 HD23 LEU 101 HD23 LEU 101 -1.602 -4.737 -4.031 810 H ASP 102 H ASP 102 -3.509 -8.334 -6.147 811 HA ASP 102 HA ASP 102 -2.248 -7.550 -8.695 812 HB2 ASP 102 HB1 ASP 102 -4.950 -8.216 -7.598 813 HB3 ASP 102 HB2 ASP 102 -4.912 -7.060 -8.927 814 H LEU 103 H LEU 103 -1.460 -5.522 -8.856 815 HA LEU 103 HA LEU 103 -2.508 -3.287 -7.249 816 HB2 LEU 103 HB1 LEU 103 -0.337 -3.497 -9.373 817 HB3 LEU 103 HB2 LEU 103 -0.703 -2.030 -8.452 818 HG LEU 103 HG LEU 103 0.236 -4.650 -7.192 819 HD11 LEU 103 HD11 LEU 103 1.850 -2.164 -7.892 820 HD12 LEU 103 HD12 LEU 103 1.938 -3.727 -8.733 821 HD13 LEU 103 HD13 LEU 103 2.447 -3.611 -7.045 822 HD21 LEU 103 HD21 LEU 103 0.151 -1.807 -6.067 823 HD22 LEU 103 HD22 LEU 103 0.709 -3.267 -5.222 824 HD23 LEU 103 HD23 LEU 103 -0.995 -3.093 -5.649 825 H LEU 104 H LEU 104 -4.046 -1.966 -7.937 826 HA LEU 104 HA LEU 104 -5.292 -2.487 -10.575 827 HB2 LEU 104 HB1 LEU 104 -6.323 -0.900 -8.201 828 HB3 LEU 104 HB2 LEU 104 -7.258 -1.535 -9.561 829 HG LEU 104 HG LEU 104 -6.057 -3.074 -7.293 830 HD11 LEU 104 HD11 LEU 104 -8.945 -2.636 -8.147 831 HD12 LEU 104 HD12 LEU 104 -8.134 -1.863 -6.769 832 HD13 LEU 104 HD13 LEU 104 -8.409 -3.613 -6.763 833 HD21 LEU 104 HD21 LEU 104 -7.502 -4.144 -9.755 834 HD22 LEU 104 HD22 LEU 104 -7.191 -5.092 -8.282 835 HD23 LEU 104 HD23 LEU 104 -5.836 -4.497 -9.241 836 H PHE 105 H PHE 105 -5.125 -0.974 -12.254 837 HA PHE 105 HA PHE 105 -4.101 1.745 -11.522 838 HB2 PHE 105 HB1 PHE 105 -3.910 -0.008 -13.970 839 HB3 PHE 105 HB2 PHE 105 -3.352 1.644 -13.975 840 HD1 PHE 105 HD2 PHE 105 -1.375 2.276 -12.511 841 HD2 PHE 105 HD1 PHE 105 -2.681 -1.819 -12.865 842 HE1 PHE 105 HE2 PHE 105 0.685 1.528 -11.371 843 HE2 PHE 105 HE1 PHE 105 -0.575 -2.571 -11.815 844 HZ PHE 105 HZ PHE 105 1.114 -0.911 -11.056 845 H ALA 106 H ALA 106 -4.768 3.559 -12.845 846 HA ALA 106 HA ALA 106 -7.625 3.757 -13.009 847 HB1 ALA 106 HB1 ALA 106 -5.480 5.616 -14.113 848 HB2 ALA 106 HB2 ALA 106 -7.202 6.008 -13.920 849 HB3 ALA 106 HB3 ALA 106 -6.219 5.682 -12.484 850 H GLY 107 H GLY 107 -8.594 2.376 -14.358 851 HA2 GLY 107 HA3 GLY 107 -9.714 2.226 -16.515 852 HA3 GLY 107 HA2 GLY 107 -8.207 2.764 -17.292 853 H GLY 108 H GLY 108 -8.018 0.983 -18.615 854 HA2 GLY 108 HA3 GLY 108 -8.551 -1.684 -17.717 855 HA3 GLY 108 HA2 GLY 108 -7.980 -1.188 -19.326 856 H LYS 109 H LYS 109 -6.463 -1.147 -15.999 857 HA LYS 109 HA LYS 109 -4.596 -3.211 -16.961 858 HB2 LYS 109 HB1 LYS 109 -3.769 -0.679 -17.273 859 HB3 LYS 109 HB2 LYS 109 -3.283 -0.893 -15.584 860 HG2 LYS 109 HG1 LYS 109 -1.749 -2.539 -16.038 861 HG3 LYS 109 HG2 LYS 109 -2.453 -2.924 -17.622 862 HD2 LYS 109 HD1 LYS 109 -0.299 -1.738 -17.818 863 HD3 LYS 109 HD2 LYS 109 -1.647 -0.842 -18.558 864 HE2 LYS 109 HE1 LYS 109 -1.756 0.595 -16.520 865 HE3 LYS 109 HE2 LYS 109 -0.387 -0.292 -15.826 866 HZ1 LYS 109 HZ1 LYS 109 0.950 0.493 -17.700 867 HZ2 LYS 109 HZ2 LYS 109 0.288 1.781 -16.935 868 HZ3 LYS 109 HZ3 LYS 109 -0.343 1.265 -18.358 869 H VAL 110 H VAL 110 -4.139 -4.679 -15.447 870 HA VAL 110 HA VAL 110 -3.795 -3.911 -12.672 871 HB VAL 110 HB VAL 110 -6.059 -4.566 -12.631 872 HG11 VAL 110 HG11 VAL 110 -6.935 -6.741 -13.379 873 HG12 VAL 110 HG12 VAL 110 -6.323 -5.775 -14.723 874 HG13 VAL 110 HG13 VAL 110 -5.359 -7.134 -14.097 875 HG21 VAL 110 HG21 VAL 110 -6.053 -6.415 -11.065 876 HG22 VAL 110 HG22 VAL 110 -4.512 -7.014 -11.705 877 HG23 VAL 110 HG23 VAL 110 -4.561 -5.483 -10.816 878 H LEU 111 H LEU 111 -2.151 -4.999 -11.748 879 HA LEU 111 HA LEU 111 -0.715 -7.142 -13.250 880 HB2 LEU 111 HB1 LEU 111 0.416 -4.432 -12.419 881 HB3 LEU 111 HB2 LEU 111 1.385 -5.768 -13.048 882 HG LEU 111 HG LEU 111 -0.781 -4.303 -14.622 883 HD11 LEU 111 HD11 LEU 111 2.239 -3.948 -14.692 884 HD12 LEU 111 HD12 LEU 111 1.059 -2.782 -14.056 885 HD13 LEU 111 HD13 LEU 111 1.067 -3.174 -15.783 886 HD21 LEU 111 HD21 LEU 111 1.415 -6.219 -15.536 887 HD22 LEU 111 HD22 LEU 111 0.261 -5.373 -16.590 888 HD23 LEU 111 HD23 LEU 111 -0.314 -6.605 -15.460 889 H LYS 112 H LYS 112 -0.048 -8.671 -11.780 890 HA LYS 112 HA LYS 112 -0.180 -7.894 -8.960 891 HB2 LYS 112 HB1 LYS 112 0.162 -10.376 -8.546 892 HB3 LYS 112 HB2 LYS 112 -1.377 -9.800 -9.201 893 HG2 LYS 112 HG1 LYS 112 -0.756 -10.598 -11.425 894 HG3 LYS 112 HG2 LYS 112 0.869 -11.035 -10.850 895 HD2 LYS 112 HD1 LYS 112 -0.725 -12.966 -11.097 896 HD3 LYS 112 HD2 LYS 112 0.002 -12.805 -9.476 897 HE2 LYS 112 HE1 LYS 112 -2.380 -13.430 -9.399 898 HE3 LYS 112 HE2 LYS 112 -2.031 -11.901 -8.573 899 HZ1 LYS 112 HZ1 LYS 112 -3.296 -12.224 -11.237 900 HZ2 LYS 112 HZ2 LYS 112 -2.889 -10.765 -10.571 901 HZ3 LYS 112 HZ3 LYS 112 -4.002 -11.637 -9.854 902 H VAL 113 H VAL 113 1.185 -8.295 -7.413 903 HA VAL 113 HA VAL 113 4.024 -9.016 -7.995 904 HB VAL 113 HB VAL 113 4.731 -7.635 -6.078 905 HG11 VAL 113 HG11 VAL 113 3.357 -5.985 -8.243 906 HG12 VAL 113 HG12 VAL 113 4.693 -5.460 -7.199 907 HG13 VAL 113 HG13 VAL 113 4.952 -6.759 -8.376 908 HG21 VAL 113 HG21 VAL 113 3.306 -5.868 -5.152 909 HG22 VAL 113 HG22 VAL 113 1.934 -6.402 -6.136 910 HG23 VAL 113 HG23 VAL 113 2.576 -7.448 -4.850 911 H VAL 114 H VAL 114 5.035 -9.943 -5.946 912 HA VAL 114 HA VAL 114 3.054 -11.259 -4.158 913 HB VAL 114 HB VAL 114 3.997 -12.936 -5.682 914 HG11 VAL 114 HG11 VAL 114 6.240 -11.958 -6.096 915 HG12 VAL 114 HG12 VAL 114 6.717 -12.359 -4.431 916 HG13 VAL 114 HG13 VAL 114 6.323 -13.649 -5.578 917 HG21 VAL 114 HG21 VAL 114 4.594 -14.586 -3.997 918 HG22 VAL 114 HG22 VAL 114 4.958 -13.317 -2.813 919 HG23 VAL 114 HG23 VAL 114 3.292 -13.553 -3.389 920 H LEU 115 H LEU 115 3.532 -11.202 -2.012 921 HA LEU 115 HA LEU 115 5.875 -9.577 -1.077 922 HB2 LEU 115 HB1 LEU 115 3.020 -9.507 -0.039 923 HB3 LEU 115 HB2 LEU 115 4.335 -8.422 0.415 924 HG LEU 115 HG LEU 115 2.954 -8.501 -2.312 925 HD11 LEU 115 HD11 LEU 115 1.425 -7.761 -0.558 926 HD12 LEU 115 HD12 LEU 115 1.899 -6.389 -1.580 927 HD13 LEU 115 HD13 LEU 115 2.623 -6.584 0.030 928 HD21 LEU 115 HD21 LEU 115 5.320 -7.584 -2.365 929 HD22 LEU 115 HD22 LEU 115 4.790 -6.353 -1.196 930 HD23 LEU 115 HD23 LEU 115 4.066 -6.411 -2.809 931 HA PRO 116 HA PRO 116 5.787 -13.103 1.907 932 HB2 PRO 116 HB1 PRO 116 7.915 -12.493 3.466 933 HB3 PRO 116 HB2 PRO 116 8.106 -13.145 1.809 934 HG2 PRO 116 HG1 PRO 116 8.192 -10.241 2.679 935 HG3 PRO 116 HG2 PRO 116 9.377 -11.120 1.647 936 HD2 PRO 116 HD1 PRO 116 7.389 -9.591 0.574 937 HD3 PRO 116 HD2 PRO 116 7.899 -11.122 -0.191 938 H VAL 117 H VAL 117 5.037 -13.349 4.062 939 HA VAL 117 HA VAL 117 4.199 -10.929 5.464 940 HB VAL 117 HB VAL 117 3.891 -13.852 6.214 941 HG11 VAL 117 HG11 VAL 117 2.342 -12.981 7.925 942 HG12 VAL 117 HG12 VAL 117 4.015 -12.482 8.202 943 HG13 VAL 117 HG13 VAL 117 2.850 -11.329 7.520 944 HG21 VAL 117 HG21 VAL 117 1.498 -13.481 5.725 945 HG22 VAL 117 HG22 VAL 117 1.809 -11.780 5.322 946 HG23 VAL 117 HG23 VAL 117 2.430 -13.067 4.280 947 H GLU 118 H GLU 118 5.452 -9.963 6.968 948 HA GLU 118 HA GLU 118 7.815 -11.401 8.079 949 HB2 GLU 118 HB1 GLU 118 8.046 -9.409 6.205 950 HB3 GLU 118 HB2 GLU 118 8.100 -8.464 7.703 951 HG2 GLU 118 HG1 GLU 118 9.792 -10.490 8.362 952 HG3 GLU 118 HG2 GLU 118 10.033 -10.507 6.614 953 H ALA 119 H ALA 119 8.669 -10.359 10.097 954 HA ALA 119 HA ALA 119 6.371 -10.225 11.871 955 HB1 ALA 119 HB1 ALA 119 7.997 -10.711 13.617 956 HB2 ALA 119 HB2 ALA 119 8.181 -11.816 12.242 957 HB3 ALA 119 HB3 ALA 119 9.332 -10.470 12.471 958 H ARG 120 H ARG 120 6.167 -7.940 10.609 959 HA ARG 120 HA ARG 120 6.468 -5.847 12.614 960 HB2 ARG 120 HB1 ARG 120 7.916 -4.395 11.317 961 HB3 ARG 120 HB2 ARG 120 8.744 -5.922 11.671 962 HG2 ARG 120 HG1 ARG 120 7.538 -6.416 9.225 963 HG3 ARG 120 HG2 ARG 120 7.972 -4.711 9.078 964 HD2 ARG 120 HD1 ARG 120 9.861 -6.995 9.767 965 HD3 ARG 120 HD2 ARG 120 9.661 -6.230 8.168 966 HE ARG 120 HE ARG 120 10.368 -4.312 10.186 967 HH11 ARG 120 HH12 ARG 120 11.767 -6.837 8.135 968 HH12 ARG 120 HH11 ARG 120 13.341 -6.126 8.163 969 HH21 ARG 120 HH22 ARG 120 12.422 -3.479 10.198 970 HH22 ARG 120 HH21 ARG 120 13.671 -4.209 9.209 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 21.592 -1.564 3.680 2 H2 GLY 1 2H GLY 1 21.868 -0.870 2.205 3 H3 GLY 1 3H GLY 1 20.700 -2.028 2.395 4 HA2 GLY 1 HA3 GLY 1 20.641 0.641 3.631 5 HA3 GLY 1 HA2 GLY 1 19.677 0.136 2.225 6 H SER 2 H SER 2 18.186 1.010 4.395 7 HA SER 2 HA SER 2 17.666 -0.940 6.385 8 HB2 SER 2 HB1 SER 2 15.747 1.193 5.419 9 HB3 SER 2 HB2 SER 2 15.950 0.550 7.062 10 HG SER 2 HG SER 2 16.998 2.563 6.887 11 H PHE 3 H PHE 3 16.410 -0.687 3.163 12 HA PHE 3 HA PHE 3 15.299 -3.255 3.064 13 HB2 PHE 3 HB1 PHE 3 12.953 -2.817 2.754 14 HB3 PHE 3 HB2 PHE 3 13.417 -2.286 4.369 15 HD1 PHE 3 HD1 PHE 3 13.680 0.204 4.821 16 HD2 PHE 3 HD2 PHE 3 11.963 -1.319 1.164 17 HE1 PHE 3 HE1 PHE 3 12.791 2.465 4.288 18 HE2 PHE 3 HE2 PHE 3 11.065 0.925 0.664 19 HZ PHE 3 HZ PHE 3 11.497 2.831 2.194 20 H THR 4 H THR 4 13.809 -3.167 0.882 21 HA THR 4 HA THR 4 14.640 -1.296 -1.191 22 HB THR 4 HB THR 4 15.374 -3.196 -2.733 23 HG1 THR 4 HG1 THR 4 15.446 -5.102 -1.884 24 HG21 THR 4 HG21 THR 4 17.350 -2.779 -0.463 25 HG22 THR 4 HG22 THR 4 17.014 -1.554 -1.712 26 HG23 THR 4 HG23 THR 4 17.679 -3.134 -2.169 27 H GLU 5 H GLU 5 13.180 -4.383 -0.433 28 HA GLU 5 HA GLU 5 11.103 -4.053 -2.502 29 HB2 GLU 5 HB1 GLU 5 12.786 -6.027 -2.180 30 HB3 GLU 5 HB2 GLU 5 11.696 -6.539 -0.893 31 HG2 GLU 5 HG1 GLU 5 9.890 -6.853 -2.489 32 HG3 GLU 5 HG2 GLU 5 10.829 -6.057 -3.775 33 H GLY 6 H GLY 6 9.085 -5.468 -1.737 34 HA2 GLY 6 HA3 GLY 6 7.773 -3.699 0.196 35 HA3 GLY 6 HA2 GLY 6 7.004 -4.783 -0.985 36 H TRP 7 H TRP 7 6.121 -4.500 1.661 37 HA TRP 7 HA TRP 7 6.211 -7.335 2.405 38 HB2 TRP 7 HB1 TRP 7 6.624 -6.973 4.717 39 HB3 TRP 7 HB2 TRP 7 7.970 -6.327 3.799 40 HD1 TRP 7 HD TRP 7 5.692 -5.584 6.539 41 HE1 TRP 7 HE1 TRP 7 5.893 -3.163 7.361 42 HE3 TRP 7 3HE TRP 7 8.333 -3.602 2.593 43 HZ2 TRP 7 HZ2 TRP 7 6.993 -0.691 6.402 44 HZ3 TRP 7 HZ3 TRP 7 8.929 -1.208 2.579 45 HH2 TRP 7 HH TRP 7 8.275 0.266 4.468 46 H VAL 8 H VAL 8 4.429 -8.055 3.490 47 HA VAL 8 HA VAL 8 2.070 -6.210 3.721 48 HB VAL 8 HB VAL 8 2.141 -9.246 3.509 49 HG11 VAL 8 HG11 VAL 8 -0.205 -7.288 3.608 50 HG12 VAL 8 HG12 VAL 8 -0.337 -9.019 3.233 51 HG13 VAL 8 HG13 VAL 8 0.198 -8.500 4.838 52 HG21 VAL 8 HG21 VAL 8 1.399 -7.052 1.515 53 HG22 VAL 8 HG22 VAL 8 2.729 -8.222 1.369 54 HG23 VAL 8 HG23 VAL 8 1.060 -8.769 1.273 55 H ARG 9 H ARG 9 1.125 -5.877 5.718 56 HA ARG 9 HA ARG 9 3.044 -6.342 7.809 57 HB2 ARG 9 HB1 ARG 9 1.931 -4.166 7.185 58 HB3 ARG 9 HB2 ARG 9 0.531 -4.714 8.112 59 HG2 ARG 9 HG1 ARG 9 1.939 -4.962 10.127 60 HG3 ARG 9 HG2 ARG 9 3.391 -4.544 9.175 61 HD2 ARG 9 HD1 ARG 9 2.221 -2.360 8.593 62 HD3 ARG 9 HD2 ARG 9 1.016 -2.748 9.812 63 HE ARG 9 HE ARG 9 3.942 -2.209 10.224 64 HH11 ARG 9 HH12 ARG 9 0.791 -2.631 11.744 65 HH12 ARG 9 HH11 ARG 9 1.322 -1.912 13.249 66 HH21 ARG 9 HH22 ARG 9 4.589 -1.421 12.089 67 HH22 ARG 9 HH21 ARG 9 3.527 -1.236 13.481 68 H PHE 10 H PHE 10 3.002 -8.285 8.767 69 HA PHE 10 HA PHE 10 0.651 -9.660 9.747 70 HB2 PHE 10 HB1 PHE 10 2.508 -11.037 9.527 71 HB3 PHE 10 HB2 PHE 10 3.600 -9.871 10.284 72 HD1 PHE 10 HD1 PHE 10 0.355 -11.451 11.477 73 HD2 PHE 10 HD2 PHE 10 4.586 -10.930 12.121 74 HE1 PHE 10 HE1 PHE 10 0.131 -12.440 13.725 75 HE2 PHE 10 HE2 PHE 10 4.361 -11.942 14.370 76 HZ PHE 10 HZ PHE 10 2.123 -12.653 15.200 77 H SER 11 H SER 11 -0.556 -9.365 11.527 78 HA SER 11 HA SER 11 0.451 -8.254 13.961 79 HB2 SER 11 HB1 SER 11 -1.494 -6.518 13.904 80 HB3 SER 11 HB2 SER 11 0.037 -6.116 13.104 81 HG SER 11 HG SER 11 -1.066 -6.922 11.128 82 HA PRO 12 HA PRO 12 -3.009 -10.841 15.178 83 HB2 PRO 12 HB1 PRO 12 -3.172 -10.410 17.828 84 HB3 PRO 12 HB2 PRO 12 -1.667 -11.054 17.097 85 HG2 PRO 12 HG1 PRO 12 -2.288 -8.169 17.809 86 HG3 PRO 12 HG2 PRO 12 -0.832 -9.125 18.255 87 HD2 PRO 12 HD1 PRO 12 -0.930 -7.443 16.065 88 HD3 PRO 12 HD2 PRO 12 0.054 -8.936 16.103 89 H GLY 13 H GLY 13 -4.275 -9.246 13.655 90 HA2 GLY 13 HA3 GLY 13 -6.497 -8.054 15.211 91 HA3 GLY 13 HA2 GLY 13 -5.571 -6.993 14.125 92 HA PRO 14 HA PRO 14 -9.011 -9.080 11.635 93 HB2 PRO 14 HB1 PRO 14 -11.125 -7.425 11.897 94 HB3 PRO 14 HB2 PRO 14 -10.754 -8.635 13.162 95 HG2 PRO 14 HG1 PRO 14 -9.979 -5.699 13.124 96 HG3 PRO 14 HG2 PRO 14 -10.786 -6.608 14.452 97 HD2 PRO 14 HD1 PRO 14 -8.063 -6.186 14.357 98 HD3 PRO 14 HD2 PRO 14 -8.784 -7.663 15.061 99 H ASN 15 H ASN 15 -7.434 -6.031 11.934 100 HA ASN 15 HA ASN 15 -7.530 -5.628 9.039 101 HB2 ASN 15 HB1 ASN 15 -7.929 -3.273 9.220 102 HB3 ASN 15 HB2 ASN 15 -9.279 -4.149 9.947 103 HD21 ASN 15 HD21 ASN 15 -8.001 -1.320 10.279 104 HD22 ASN 15 HD22 ASN 15 -7.892 -1.188 12.027 105 H ALA 16 H ALA 16 -5.777 -4.378 8.244 106 HA ALA 16 HA ALA 16 -3.414 -3.891 9.884 107 HB1 ALA 16 HB1 ALA 16 -2.030 -5.658 8.927 108 HB2 ALA 16 HB2 ALA 16 -3.426 -6.378 9.719 109 HB3 ALA 16 HB3 ALA 16 -3.389 -6.254 7.948 110 H ALA 17 H ALA 17 -1.539 -4.160 7.745 111 HA ALA 17 HA ALA 17 -2.465 -2.202 5.711 112 HB1 ALA 17 HB1 ALA 17 0.207 -2.090 7.179 113 HB2 ALA 17 HB2 ALA 17 -0.347 -0.990 5.908 114 HB3 ALA 17 HB3 ALA 17 -1.157 -0.996 7.485 115 H ALA 18 H ALA 18 -1.383 -2.444 3.667 116 HA ALA 18 HA ALA 18 0.884 -4.371 3.571 117 HB1 ALA 18 HB1 ALA 18 -1.197 -3.970 1.377 118 HB2 ALA 18 HB2 ALA 18 0.288 -4.928 1.243 119 HB3 ALA 18 HB3 ALA 18 -0.985 -5.426 2.367 120 H TYR 19 H TYR 19 2.600 -3.783 2.364 121 HA TYR 19 HA TYR 19 2.640 -1.121 1.046 122 HB2 TYR 19 HB1 TYR 19 5.012 -2.270 2.518 123 HB3 TYR 19 HB2 TYR 19 4.772 -0.623 1.942 124 HD1 TYR 19 HD1 TYR 19 3.293 0.955 3.268 125 HD2 TYR 19 HD2 TYR 19 4.224 -3.025 4.608 126 HE1 TYR 19 HE1 TYR 19 2.522 1.535 5.570 127 HE2 TYR 19 HE2 TYR 19 3.549 -2.448 6.896 128 HH TYR 19 HH TYR 19 2.166 0.807 7.680 129 H LEU 20 H LEU 20 4.891 -1.088 -0.205 130 HA LEU 20 HA LEU 20 5.859 -3.425 -1.421 131 HB2 LEU 20 HB1 LEU 20 4.987 -3.353 -3.608 132 HB3 LEU 20 HB2 LEU 20 3.668 -3.605 -2.475 133 HG LEU 20 HG LEU 20 4.319 -0.891 -3.728 134 HD11 LEU 20 HD11 LEU 20 2.336 -3.011 -4.594 135 HD12 LEU 20 HD12 LEU 20 3.826 -2.603 -5.467 136 HD13 LEU 20 HD13 LEU 20 2.528 -1.401 -5.334 137 HD21 LEU 20 HD21 LEU 20 1.912 -0.445 -3.207 138 HD22 LEU 20 HD22 LEU 20 2.849 -0.729 -1.744 139 HD23 LEU 20 HD23 LEU 20 1.810 -2.015 -2.375 140 H THR 21 H THR 21 7.336 -2.987 -3.163 141 HA THR 21 HA THR 21 8.049 -0.123 -3.610 142 HB THR 21 HB THR 21 9.704 -2.609 -4.220 143 HG1 THR 21 HG1 THR 21 11.014 -1.596 -2.601 144 HG21 THR 21 HG21 THR 21 10.294 0.382 -4.549 145 HG22 THR 21 HG22 THR 21 10.160 -0.805 -5.861 146 HG23 THR 21 HG23 THR 21 11.492 -0.924 -4.711 147 H LEU 22 H LEU 22 7.815 0.600 -5.753 148 HA LEU 22 HA LEU 22 6.836 -1.208 -7.835 149 HB2 LEU 22 HB1 LEU 22 4.875 -0.743 -6.418 150 HB3 LEU 22 HB2 LEU 22 5.121 0.993 -6.611 151 HG LEU 22 HG LEU 22 3.242 -0.138 -7.893 152 HD11 LEU 22 HD11 LEU 22 5.144 1.512 -9.591 153 HD12 LEU 22 HD12 LEU 22 4.023 2.142 -8.364 154 HD13 LEU 22 HD13 LEU 22 3.398 1.316 -9.802 155 HD21 LEU 22 HD21 LEU 22 3.716 -1.204 -10.021 156 HD22 LEU 22 HD22 LEU 22 4.502 -2.106 -8.708 157 HD23 LEU 22 HD23 LEU 22 5.454 -1.053 -9.774 158 H GLU 23 H GLU 23 7.562 -0.550 -9.702 159 HA GLU 23 HA GLU 23 8.305 2.290 -10.178 160 HB2 GLU 23 HB1 GLU 23 9.447 0.837 -12.215 161 HB3 GLU 23 HB2 GLU 23 10.301 1.614 -10.895 162 HG2 GLU 23 HG1 GLU 23 9.337 -1.208 -10.506 163 HG3 GLU 23 HG2 GLU 23 10.745 -0.881 -11.565 164 H ASN 24 H ASN 24 7.854 3.223 -12.086 165 HA ASN 24 HA ASN 24 5.897 1.881 -13.892 166 HB2 ASN 24 HB1 ASN 24 5.260 4.092 -13.016 167 HB3 ASN 24 HB2 ASN 24 6.730 4.789 -13.704 168 HD21 ASN 24 HD21 ASN 24 4.876 6.115 -14.668 169 HD22 ASN 24 HD22 ASN 24 4.343 5.550 -16.261 170 HA PRO 25 HA PRO 25 9.714 1.692 -16.413 171 HB2 PRO 25 HB1 PRO 25 9.153 -0.534 -17.876 172 HB3 PRO 25 HB2 PRO 25 9.589 -0.655 -16.144 173 HG2 PRO 25 HG1 PRO 25 6.799 -0.591 -17.348 174 HG3 PRO 25 HG2 PRO 25 7.463 -1.795 -16.190 175 HD2 PRO 25 HD1 PRO 25 5.984 0.366 -15.383 176 HD3 PRO 25 HD2 PRO 25 7.344 -0.261 -14.408 177 H GLY 26 H GLY 26 6.446 2.418 -17.232 178 HA2 GLY 26 HA3 GLY 26 6.824 2.511 -20.126 179 HA3 GLY 26 HA2 GLY 26 5.376 2.953 -19.194 180 H ASP 27 H ASP 27 6.144 4.450 -21.269 181 HA ASP 27 HA ASP 27 7.573 6.858 -20.401 182 HB2 ASP 27 HB1 ASP 27 6.274 6.036 -23.025 183 HB3 ASP 27 HB2 ASP 27 7.302 7.465 -22.781 184 H LEU 28 H LEU 28 4.465 5.817 -20.036 185 HA LEU 28 HA LEU 28 3.298 8.559 -19.913 186 HB2 LEU 28 HB1 LEU 28 1.679 6.030 -20.020 187 HB3 LEU 28 HB2 LEU 28 1.158 7.710 -20.295 188 HG LEU 28 HG LEU 28 0.960 6.672 -22.298 189 HD11 LEU 28 HD11 LEU 28 3.627 8.081 -22.587 190 HD12 LEU 28 HD12 LEU 28 2.046 8.882 -22.455 191 HD13 LEU 28 HD13 LEU 28 2.402 7.827 -23.836 192 HD21 LEU 28 HD21 LEU 28 2.460 5.245 -23.463 193 HD22 LEU 28 HD22 LEU 28 2.338 4.631 -21.804 194 HD23 LEU 28 HD23 LEU 28 3.775 5.532 -22.323 195 HA PRO 29 HA PRO 29 3.273 7.727 -15.587 196 HB2 PRO 29 HB1 PRO 29 1.225 9.187 -14.535 197 HB3 PRO 29 HB2 PRO 29 2.660 9.921 -15.306 198 HG2 PRO 29 HG1 PRO 29 -0.079 9.474 -16.480 199 HG3 PRO 29 HG2 PRO 29 0.988 10.909 -16.655 200 HD2 PRO 29 HD1 PRO 29 0.724 8.845 -18.524 201 HD3 PRO 29 HD2 PRO 29 2.164 9.868 -18.422 202 H LEU 30 H LEU 30 2.328 6.486 -13.817 203 HA LEU 30 HA LEU 30 -0.014 4.759 -14.538 204 HB2 LEU 30 HB1 LEU 30 2.130 4.310 -12.465 205 HB3 LEU 30 HB2 LEU 30 0.703 3.291 -12.698 206 HG LEU 30 HG LEU 30 2.931 3.827 -14.540 207 HD11 LEU 30 HD11 LEU 30 3.312 2.156 -12.716 208 HD12 LEU 30 HD12 LEU 30 3.407 1.388 -14.317 209 HD13 LEU 30 HD13 LEU 30 1.926 1.227 -13.344 210 HD21 LEU 30 HD21 LEU 30 1.168 3.682 -16.081 211 HD22 LEU 30 HD22 LEU 30 0.559 2.174 -15.324 212 HD23 LEU 30 HD23 LEU 30 2.139 2.223 -16.168 213 H ARG 31 H ARG 31 -1.694 4.850 -13.433 214 HA ARG 31 HA ARG 31 -1.883 6.488 -10.911 215 HB2 ARG 31 HB1 ARG 31 -2.943 7.492 -12.989 216 HB3 ARG 31 HB2 ARG 31 -4.147 6.195 -12.895 217 HG2 ARG 31 HG1 ARG 31 -5.007 7.005 -10.841 218 HG3 ARG 31 HG2 ARG 31 -3.568 7.982 -10.496 219 HD2 ARG 31 HD1 ARG 31 -5.516 8.569 -12.754 220 HD3 ARG 31 HD2 ARG 31 -5.589 9.311 -11.134 221 HE ARG 31 HE ARG 31 -3.277 10.228 -11.612 222 HH11 ARG 31 HH12 ARG 31 -5.656 10.000 -14.204 223 HH12 ARG 31 HH11 ARG 31 -4.699 11.033 -15.239 224 HH21 ARG 31 HH22 ARG 31 -2.073 11.314 -12.963 225 HH22 ARG 31 HH21 ARG 31 -2.656 11.804 -14.531 226 H LEU 32 H LEU 32 -2.162 5.258 -9.237 227 HA LEU 32 HA LEU 32 -3.032 2.429 -9.487 228 HB2 LEU 32 HB1 LEU 32 -0.772 2.954 -8.688 229 HB3 LEU 32 HB2 LEU 32 -1.444 3.993 -7.415 230 HG LEU 32 HG LEU 32 -2.551 1.870 -6.474 231 HD11 LEU 32 HD11 LEU 32 -2.267 0.445 -8.537 232 HD12 LEU 32 HD12 LEU 32 -1.553 -0.284 -7.094 233 HD13 LEU 32 HD13 LEU 32 -0.513 0.500 -8.298 234 HD21 LEU 32 HD21 LEU 32 -0.422 1.158 -5.382 235 HD22 LEU 32 HD22 LEU 32 -0.572 2.919 -5.455 236 HD23 LEU 32 HD23 LEU 32 0.497 2.071 -6.594 237 H VAL 33 H VAL 33 -5.028 1.959 -8.862 238 HA VAL 33 HA VAL 33 -6.544 3.953 -7.215 239 HB VAL 33 HB VAL 33 -8.576 3.167 -8.320 240 HG11 VAL 33 HG11 VAL 33 -6.424 3.885 -10.362 241 HG12 VAL 33 HG12 VAL 33 -8.175 4.080 -10.556 242 HG13 VAL 33 HG13 VAL 33 -7.312 5.033 -9.341 243 HG21 VAL 33 HG21 VAL 33 -6.844 1.435 -10.125 244 HG22 VAL 33 HG22 VAL 33 -7.884 0.800 -8.829 245 HG23 VAL 33 HG23 VAL 33 -8.595 1.652 -10.205 246 H GLY 34 H GLY 34 -5.243 0.797 -6.995 247 HA2 GLY 34 HA3 GLY 34 -6.232 0.251 -4.432 248 HA3 GLY 34 HA2 GLY 34 -7.276 -0.585 -5.604 249 H ALA 35 H ALA 35 -6.291 -2.403 -4.282 250 HA ALA 35 HA ALA 35 -4.359 -3.717 -5.975 251 HB1 ALA 35 HB1 ALA 35 -2.710 -2.801 -4.517 252 HB2 ALA 35 HB2 ALA 35 -3.755 -2.976 -3.074 253 HB3 ALA 35 HB3 ALA 35 -3.043 -4.393 -3.817 254 H ARG 36 H ARG 36 -4.125 -6.225 -5.176 255 HA ARG 36 HA ARG 36 -6.645 -7.044 -3.826 256 HB2 ARG 36 HB1 ARG 36 -7.517 -6.455 -5.887 257 HB3 ARG 36 HB2 ARG 36 -6.058 -6.917 -6.784 258 HG2 ARG 36 HG1 ARG 36 -7.852 -8.419 -7.304 259 HG3 ARG 36 HG2 ARG 36 -6.580 -9.274 -6.423 260 HD2 ARG 36 HD1 ARG 36 -7.915 -9.374 -4.433 261 HD3 ARG 36 HD2 ARG 36 -9.026 -8.120 -5.011 262 HE ARG 36 HE ARG 36 -8.975 -10.970 -5.740 263 HH11 ARG 36 HH12 ARG 36 -10.317 -7.805 -6.587 264 HH12 ARG 36 HH11 ARG 36 -11.591 -8.494 -7.547 265 HH21 ARG 36 HH22 ARG 36 -10.657 -11.784 -6.992 266 HH22 ARG 36 HH21 ARG 36 -11.777 -10.704 -7.771 267 H THR 37 H THR 37 -6.108 -8.689 -2.604 268 HA THR 37 HA THR 37 -3.918 -10.531 -3.473 269 HB THR 37 HB THR 37 -3.041 -9.014 -1.889 270 HG1 THR 37 HG1 THR 37 -2.274 -10.908 -1.505 271 HG21 THR 37 HG21 THR 37 -4.998 -8.135 -0.700 272 HG22 THR 37 HG22 THR 37 -3.888 -8.866 0.462 273 HG23 THR 37 HG23 THR 37 -5.351 -9.744 -0.031 274 HA PRO 38 HA PRO 38 -6.914 -13.718 -2.058 275 HB2 PRO 38 HB1 PRO 38 -5.237 -15.670 -1.089 276 HB3 PRO 38 HB2 PRO 38 -5.527 -15.357 -2.828 277 HG2 PRO 38 HG1 PRO 38 -3.225 -14.350 -1.153 278 HG3 PRO 38 HG2 PRO 38 -3.153 -15.197 -2.744 279 HD2 PRO 38 HD1 PRO 38 -3.066 -12.498 -2.625 280 HD3 PRO 38 HD2 PRO 38 -4.044 -13.324 -3.876 281 H VAL 39 H VAL 39 -4.406 -12.345 0.016 282 HA VAL 39 HA VAL 39 -5.555 -13.593 2.385 283 HB VAL 39 HB VAL 39 -3.793 -12.883 3.682 284 HG11 VAL 39 HG11 VAL 39 -3.435 -14.673 1.940 285 HG12 VAL 39 HG12 VAL 39 -2.604 -13.458 0.940 286 HG13 VAL 39 HG13 VAL 39 -1.964 -13.904 2.540 287 HG21 VAL 39 HG21 VAL 39 -3.521 -10.519 3.103 288 HG22 VAL 39 HG22 VAL 39 -1.980 -11.371 2.930 289 HG23 VAL 39 HG23 VAL 39 -2.922 -10.955 1.496 290 H ALA 40 H ALA 40 -7.029 -11.184 0.926 291 HA ALA 40 HA ALA 40 -8.056 -10.012 3.430 292 HB1 ALA 40 HB1 ALA 40 -6.860 -8.237 1.268 293 HB2 ALA 40 HB2 ALA 40 -7.646 -7.701 2.762 294 HB3 ALA 40 HB3 ALA 40 -6.106 -8.577 2.847 295 H GLU 41 H GLU 41 -9.951 -8.729 3.197 296 HA GLU 41 HA GLU 41 -11.668 -9.402 0.871 297 HB2 GLU 41 HB1 GLU 41 -12.279 -9.872 3.274 298 HB3 GLU 41 HB2 GLU 41 -12.394 -8.132 3.544 299 HG2 GLU 41 HG1 GLU 41 -14.599 -8.647 3.098 300 HG3 GLU 41 HG2 GLU 41 -14.073 -8.247 1.465 301 H ARG 42 H ARG 42 -11.872 -6.485 2.895 302 HA ARG 42 HA ARG 42 -12.178 -4.773 0.524 303 HB2 ARG 42 HB1 ARG 42 -13.760 -4.385 2.198 304 HB3 ARG 42 HB2 ARG 42 -12.559 -4.471 3.499 305 HG2 ARG 42 HG1 ARG 42 -11.598 -2.311 2.678 306 HG3 ARG 42 HG2 ARG 42 -12.900 -2.189 1.500 307 HD2 ARG 42 HD1 ARG 42 -13.726 -2.703 4.331 308 HD3 ARG 42 HD2 ARG 42 -12.944 -1.148 4.033 309 HE ARG 42 HE ARG 42 -15.375 -2.113 2.583 310 HH11 ARG 42 HH12 ARG 42 -13.627 0.659 4.036 311 HH12 ARG 42 HH11 ARG 42 -14.942 1.734 3.741 312 HH21 ARG 42 HH22 ARG 42 -17.012 -0.623 2.229 313 HH22 ARG 42 HH21 ARG 42 -16.813 1.024 2.755 314 H VAL 43 H VAL 43 -10.502 -3.928 -0.407 315 HA VAL 43 HA VAL 43 -8.067 -3.067 1.053 316 HB VAL 43 HB VAL 43 -7.871 -4.204 -1.151 317 HG11 VAL 43 HG11 VAL 43 -8.358 -3.041 -3.246 318 HG12 VAL 43 HG12 VAL 43 -9.845 -3.196 -2.308 319 HG13 VAL 43 HG13 VAL 43 -8.981 -1.641 -2.389 320 HG21 VAL 43 HG21 VAL 43 -6.769 -1.368 -1.176 321 HG22 VAL 43 HG22 VAL 43 -6.089 -2.728 -0.254 322 HG23 VAL 43 HG23 VAL 43 -6.116 -2.778 -2.024 323 H GLU 44 H GLU 44 -7.602 -0.925 1.547 324 HA GLU 44 HA GLU 44 -9.005 1.260 0.059 325 HB2 GLU 44 HB1 GLU 44 -8.523 1.118 3.062 326 HB3 GLU 44 HB2 GLU 44 -9.046 2.566 2.166 327 HG2 GLU 44 HG1 GLU 44 -11.149 1.457 1.580 328 HG3 GLU 44 HG2 GLU 44 -10.629 -0.016 2.426 329 H LEU 45 H LEU 45 -7.186 2.318 -1.065 330 HA LEU 45 HA LEU 45 -4.619 2.380 0.270 331 HB2 LEU 45 HB1 LEU 45 -5.013 2.289 -2.229 332 HB3 LEU 45 HB2 LEU 45 -5.511 3.979 -2.165 333 HG LEU 45 HG LEU 45 -2.869 3.109 -0.914 334 HD11 LEU 45 HD11 LEU 45 -2.954 2.202 -3.214 335 HD12 LEU 45 HD12 LEU 45 -1.716 3.437 -2.989 336 HD13 LEU 45 HD13 LEU 45 -3.258 3.813 -3.843 337 HD21 LEU 45 HD21 LEU 45 -2.115 5.326 -1.594 338 HD22 LEU 45 HD22 LEU 45 -3.609 5.513 -0.678 339 HD23 LEU 45 HD23 LEU 45 -3.644 5.611 -2.460 340 H HIS 46 H HIS 46 -4.058 3.648 1.787 341 HA HIS 46 HA HIS 46 -5.478 6.204 2.250 342 HB2 HIS 46 HB1 HIS 46 -4.059 4.313 4.107 343 HB3 HIS 46 HB2 HIS 46 -4.399 5.983 4.578 344 HD2 HIS 46 HD2 HIS 46 -7.281 4.188 2.727 345 HE1 HIS 46 HE1 HIS 46 -8.250 4.168 6.848 346 HE2 HIS 46 HE2 HIS 46 -9.096 3.581 4.513 347 H GLU 47 H GLU 47 -4.380 7.983 2.877 348 HA GLU 47 HA GLU 47 -1.520 8.331 2.100 349 HB2 GLU 47 HB1 GLU 47 -1.946 10.694 2.067 350 HB3 GLU 47 HB2 GLU 47 -3.188 9.908 1.078 351 HG2 GLU 47 HG1 GLU 47 -4.774 10.074 2.980 352 HG3 GLU 47 HG2 GLU 47 -3.539 10.890 3.954 353 H THR 48 H THR 48 -0.445 9.991 3.614 354 HA THR 48 HA THR 48 -1.406 10.021 6.429 355 HB THR 48 HB THR 48 1.465 9.384 5.686 356 HG1 THR 48 HG1 THR 48 -0.704 7.893 5.827 357 HG21 THR 48 HG21 THR 48 1.603 8.862 8.148 358 HG22 THR 48 HG22 THR 48 -0.027 9.540 8.345 359 HG23 THR 48 HG23 THR 48 1.317 10.572 7.802 360 H PHE 49 H PHE 49 -1.957 12.151 6.253 361 HA PHE 49 HA PHE 49 -0.088 14.053 4.981 362 HB2 PHE 49 HB1 PHE 49 -1.915 15.640 5.072 363 HB3 PHE 49 HB2 PHE 49 -2.397 14.149 4.266 364 HD1 PHE 49 HD1 PHE 49 -2.725 16.176 7.377 365 HD2 PHE 49 HD2 PHE 49 -4.210 12.777 5.198 366 HE1 PHE 49 HE1 PHE 49 -4.618 16.000 8.950 367 HE2 PHE 49 HE2 PHE 49 -6.083 12.578 6.815 368 HZ PHE 49 HZ PHE 49 -6.302 14.188 8.660 369 H MET 50 H MET 50 0.732 15.784 5.931 370 HA MET 50 HA MET 50 0.799 16.001 8.886 371 HB2 MET 50 HB1 MET 50 2.551 17.613 8.570 372 HB3 MET 50 HB2 MET 50 2.950 16.126 7.707 373 HG2 MET 50 HG1 MET 50 1.886 18.701 6.508 374 HG3 MET 50 HG2 MET 50 3.571 18.164 6.462 375 HE1 MET 50 HE1 MET 50 3.132 14.969 5.679 376 HE2 MET 50 HE2 MET 50 3.412 15.144 3.941 377 HE3 MET 50 HE3 MET 50 4.426 16.047 5.085 378 H ARG 51 H ARG 51 0.023 17.810 9.966 379 HA ARG 51 HA ARG 51 -1.125 20.109 8.579 380 HB2 ARG 51 HB1 ARG 51 -2.800 17.887 9.145 381 HB3 ARG 51 HB2 ARG 51 -3.169 19.077 10.410 382 HG2 ARG 51 HG1 ARG 51 -4.712 19.411 8.618 383 HG3 ARG 51 HG2 ARG 51 -3.590 20.781 8.598 384 HD2 ARG 51 HD1 ARG 51 -2.368 19.808 6.730 385 HD3 ARG 51 HD2 ARG 51 -3.298 18.298 6.853 386 HE ARG 51 HE ARG 51 -5.032 20.532 6.391 387 HH11 ARG 51 HH12 ARG 51 -2.761 18.401 4.752 388 HH12 ARG 51 HH11 ARG 51 -3.484 18.610 3.187 389 HH21 ARG 51 HH22 ARG 51 -5.940 20.829 4.336 390 HH22 ARG 51 HH21 ARG 51 -5.266 20.011 2.954 391 H GLU 52 H GLU 52 -1.602 21.842 9.992 392 HA GLU 52 HA GLU 52 -0.886 21.506 12.863 393 HB2 GLU 52 HB1 GLU 52 -0.724 23.804 11.018 394 HB3 GLU 52 HB2 GLU 52 -1.574 24.147 12.557 395 HG2 GLU 52 HG1 GLU 52 0.696 24.683 12.915 396 HG3 GLU 52 HG2 GLU 52 0.374 23.183 13.794 397 H VAL 53 H VAL 53 -2.471 21.644 14.333 398 HA VAL 53 HA VAL 53 -5.262 22.360 13.562 399 HB VAL 53 HB VAL 53 -4.543 19.766 15.016 400 HG11 VAL 53 HG11 VAL 53 -6.687 20.748 15.753 401 HG12 VAL 53 HG12 VAL 53 -7.223 20.877 14.065 402 HG13 VAL 53 HG13 VAL 53 -6.973 19.284 14.811 403 HG21 VAL 53 HG21 VAL 53 -4.015 19.439 12.649 404 HG22 VAL 53 HG22 VAL 53 -5.484 18.558 13.062 405 HG23 VAL 53 HG23 VAL 53 -5.599 20.094 12.175 406 H GLU 54 H GLU 54 -5.970 23.752 15.084 407 HA GLU 54 HA GLU 54 -6.031 25.067 16.953 408 HB2 GLU 54 HB1 GLU 54 -6.461 22.664 17.910 409 HB3 GLU 54 HB2 GLU 54 -4.852 22.857 18.631 410 HG2 GLU 54 HG1 GLU 54 -5.816 25.111 19.562 411 HG3 GLU 54 HG2 GLU 54 -7.401 24.413 19.175 412 H GLY 55 H GLY 55 -3.541 24.884 15.293 413 HA2 GLY 55 HA3 GLY 55 -1.493 25.976 15.243 414 HA3 GLY 55 HA2 GLY 55 -1.636 26.324 16.981 415 H LYS 56 H LYS 56 -2.205 23.143 17.037 416 HA LYS 56 HA LYS 56 0.543 22.439 17.748 417 HB2 LYS 56 HB1 LYS 56 -2.103 20.935 17.931 418 HB3 LYS 56 HB2 LYS 56 -0.582 20.457 18.697 419 HG2 LYS 56 HG1 LYS 56 -0.664 22.296 20.228 420 HG3 LYS 56 HG2 LYS 56 -1.977 23.093 19.326 421 HD2 LYS 56 HD1 LYS 56 -3.461 21.140 19.879 422 HD3 LYS 56 HD2 LYS 56 -2.197 20.552 20.972 423 HE2 LYS 56 HE1 LYS 56 -2.298 22.631 22.270 424 HE3 LYS 56 HE2 LYS 56 -3.398 23.359 21.051 425 HZ1 LYS 56 HZ1 LYS 56 -4.103 21.216 22.972 426 HZ2 LYS 56 HZ2 LYS 56 -5.012 21.641 21.640 427 HZ3 LYS 56 HZ3 LYS 56 -4.784 22.735 22.713 428 H LYS 57 H LYS 57 1.772 20.827 16.710 429 HA LYS 57 HA LYS 57 1.103 20.350 13.896 430 HB2 LYS 57 HB1 LYS 57 3.499 19.351 15.464 431 HB3 LYS 57 HB2 LYS 57 3.300 19.443 13.698 432 HG2 LYS 57 HG1 LYS 57 2.985 21.991 14.082 433 HG3 LYS 57 HG2 LYS 57 3.643 21.704 15.709 434 HD2 LYS 57 HD1 LYS 57 5.337 22.539 14.158 435 HD3 LYS 57 HD2 LYS 57 5.740 20.927 14.776 436 HE2 LYS 57 HE1 LYS 57 6.303 21.194 12.389 437 HE3 LYS 57 HE2 LYS 57 5.096 19.920 12.643 438 HZ1 LYS 57 HZ1 LYS 57 4.612 21.477 10.742 439 HZ2 LYS 57 HZ2 LYS 57 4.306 22.677 11.829 440 HZ3 LYS 57 HZ3 LYS 57 3.396 21.411 11.837 441 H VAL 58 H VAL 58 0.173 18.579 13.043 442 HA VAL 58 HA VAL 58 -0.146 16.083 14.665 443 HB VAL 58 HB VAL 58 -2.242 17.740 13.233 444 HG11 VAL 58 HG11 VAL 58 -3.918 16.034 13.965 445 HG12 VAL 58 HG12 VAL 58 -2.823 15.439 12.724 446 HG13 VAL 58 HG13 VAL 58 -2.579 14.958 14.423 447 HG21 VAL 58 HG21 VAL 58 -1.959 16.880 16.148 448 HG22 VAL 58 HG22 VAL 58 -1.775 18.528 15.511 449 HG23 VAL 58 HG23 VAL 58 -3.353 17.746 15.477 450 H MET 59 H MET 59 -0.501 14.172 13.488 451 HA MET 59 HA MET 59 -0.097 14.237 10.530 452 HB2 MET 59 HB1 MET 59 1.843 13.306 12.044 453 HB3 MET 59 HB2 MET 59 0.762 11.919 12.279 454 HG2 MET 59 HG1 MET 59 2.201 11.372 10.473 455 HG3 MET 59 HG2 MET 59 0.625 11.723 9.756 456 HE1 MET 59 HE1 MET 59 3.420 14.394 10.959 457 HE2 MET 59 HE2 MET 59 4.276 12.938 10.388 458 HE3 MET 59 HE3 MET 59 4.374 14.451 9.462 459 H GLY 60 H GLY 60 -1.661 13.055 9.400 460 HA2 GLY 60 HA3 GLY 60 -3.467 11.253 10.944 461 HA3 GLY 60 HA2 GLY 60 -4.151 12.584 9.983 462 H MET 61 H MET 61 -4.266 9.513 9.857 463 HA MET 61 HA MET 61 -3.491 9.096 7.024 464 HB2 MET 61 HB1 MET 61 -4.591 7.250 9.160 465 HB3 MET 61 HB2 MET 61 -4.467 6.790 7.433 466 HG2 MET 61 HG1 MET 61 -2.553 5.924 8.382 467 HG3 MET 61 HG2 MET 61 -2.026 7.379 7.546 468 HE1 MET 61 HE1 MET 61 0.236 6.943 8.734 469 HE2 MET 61 HE2 MET 61 0.483 6.939 10.492 470 HE3 MET 61 HE3 MET 61 -0.388 5.599 9.707 471 H ARG 62 H ARG 62 -5.130 8.148 5.569 472 HA ARG 62 HA ARG 62 -7.957 8.641 5.933 473 HB2 ARG 62 HB1 ARG 62 -6.463 10.936 5.522 474 HB3 ARG 62 HB2 ARG 62 -6.918 10.505 3.866 475 HG2 ARG 62 HG1 ARG 62 -9.321 10.451 4.616 476 HG3 ARG 62 HG2 ARG 62 -8.794 11.012 6.220 477 HD2 ARG 62 HD1 ARG 62 -9.618 12.873 4.745 478 HD3 ARG 62 HD2 ARG 62 -7.929 13.083 5.274 479 HE ARG 62 HE ARG 62 -7.179 12.807 3.086 480 HH11 ARG 62 HH12 ARG 62 -10.541 11.655 3.059 481 HH12 ARG 62 HH11 ARG 62 -10.275 10.970 1.477 482 HH21 ARG 62 HH22 ARG 62 -7.036 12.091 1.202 483 HH22 ARG 62 HH21 ARG 62 -8.367 11.313 0.366 484 HA PRO 63 HA PRO 63 -7.457 6.254 2.046 485 HB2 PRO 63 HB1 PRO 63 -10.050 5.986 1.221 486 HB3 PRO 63 HB2 PRO 63 -9.291 4.932 2.426 487 HG2 PRO 63 HG1 PRO 63 -11.062 7.295 2.867 488 HG3 PRO 63 HG2 PRO 63 -11.043 5.749 3.764 489 HD2 PRO 63 HD1 PRO 63 -9.910 8.100 4.691 490 HD3 PRO 63 HD2 PRO 63 -9.257 6.493 5.112 491 H VAL 64 H VAL 64 -7.152 6.824 -0.017 492 HA VAL 64 HA VAL 64 -8.147 9.500 -0.961 493 HB VAL 64 HB VAL 64 -6.096 9.301 -2.559 494 HG11 VAL 64 HG11 VAL 64 -4.687 10.513 -0.953 495 HG12 VAL 64 HG12 VAL 64 -6.370 11.054 -0.925 496 HG13 VAL 64 HG13 VAL 64 -5.759 9.996 0.375 497 HG21 VAL 64 HG21 VAL 64 -4.110 8.224 -1.699 498 HG22 VAL 64 HG22 VAL 64 -4.982 7.619 -0.283 499 HG23 VAL 64 HG23 VAL 64 -5.395 7.012 -1.908 500 HA PRO 65 HA PRO 65 -10.034 7.366 -4.341 501 HB2 PRO 65 HB1 PRO 65 -9.968 9.151 -6.400 502 HB3 PRO 65 HB2 PRO 65 -10.957 9.411 -4.931 503 HG2 PRO 65 HG1 PRO 65 -8.183 10.496 -5.509 504 HG3 PRO 65 HG2 PRO 65 -9.633 11.414 -4.962 505 HD2 PRO 65 HD1 PRO 65 -7.751 10.555 -3.193 506 HD3 PRO 65 HD2 PRO 65 -9.492 10.493 -2.783 507 H PHE 66 H PHE 66 -6.684 8.339 -4.608 508 HA PHE 66 HA PHE 66 -5.837 6.005 -5.844 509 HB2 PHE 66 HB1 PHE 66 -5.022 6.802 -8.019 510 HB3 PHE 66 HB2 PHE 66 -6.776 6.718 -7.944 511 HD1 PHE 66 HD1 PHE 66 -3.844 9.004 -8.081 512 HD2 PHE 66 HD2 PHE 66 -8.141 8.697 -8.202 513 HE1 PHE 66 HE1 PHE 66 -3.976 11.304 -8.972 514 HE2 PHE 66 HE2 PHE 66 -8.276 11.015 -9.074 515 HZ PHE 66 HZ PHE 66 -6.190 12.328 -9.462 516 H LEU 67 H LEU 67 -3.583 6.063 -6.420 517 HA LEU 67 HA LEU 67 -1.994 8.438 -5.602 518 HB2 LEU 67 HB1 LEU 67 -1.592 5.550 -5.002 519 HB3 LEU 67 HB2 LEU 67 -0.169 6.320 -5.735 520 HG LEU 67 HG LEU 67 -1.533 7.124 -3.144 521 HD11 LEU 67 HD11 LEU 67 1.207 5.941 -3.865 522 HD12 LEU 67 HD12 LEU 67 -0.121 5.066 -3.076 523 HD13 LEU 67 HD13 LEU 67 0.696 6.394 -2.237 524 HD21 LEU 67 HD21 LEU 67 -0.662 9.195 -4.121 525 HD22 LEU 67 HD22 LEU 67 0.856 8.386 -4.588 526 HD23 LEU 67 HD23 LEU 67 0.465 8.658 -2.880 527 H GLU 68 H GLU 68 0.183 8.374 -7.002 528 HA GLU 68 HA GLU 68 -0.037 6.894 -9.428 529 HB2 GLU 68 HB1 GLU 68 -0.334 8.454 -11.058 530 HB3 GLU 68 HB2 GLU 68 -1.570 8.860 -9.870 531 HG2 GLU 68 HG1 GLU 68 -0.194 10.786 -9.124 532 HG3 GLU 68 HG2 GLU 68 1.054 10.331 -10.316 533 H VAL 69 H VAL 69 1.709 7.254 -10.923 534 HA VAL 69 HA VAL 69 4.248 8.071 -9.612 535 HB VAL 69 HB VAL 69 3.740 5.376 -10.987 536 HG11 VAL 69 HG11 VAL 69 6.028 4.774 -10.220 537 HG12 VAL 69 HG12 VAL 69 6.078 6.141 -11.325 538 HG13 VAL 69 HG13 VAL 69 6.257 6.414 -9.579 539 HG21 VAL 69 HG21 VAL 69 4.227 4.378 -8.759 540 HG22 VAL 69 HG22 VAL 69 4.201 6.001 -8.039 541 HG23 VAL 69 HG23 VAL 69 2.731 5.313 -8.773 542 HA PRO 70 HA PRO 70 4.633 9.681 -13.781 543 HB2 PRO 70 HB1 PRO 70 7.144 10.748 -13.709 544 HB3 PRO 70 HB2 PRO 70 5.755 11.466 -12.838 545 HG2 PRO 70 HG1 PRO 70 7.871 9.583 -11.740 546 HG3 PRO 70 HG2 PRO 70 7.311 11.143 -11.036 547 HD2 PRO 70 HD1 PRO 70 6.320 8.738 -10.195 548 HD3 PRO 70 HD2 PRO 70 5.272 10.183 -10.322 549 HA PRO 71 HA PRO 71 6.696 6.567 -16.186 550 HB2 PRO 71 HB1 PRO 71 7.791 7.990 -18.280 551 HB3 PRO 71 HB2 PRO 71 6.081 7.475 -18.097 552 HG2 PRO 71 HG1 PRO 71 7.289 10.169 -17.562 553 HG3 PRO 71 HG2 PRO 71 5.679 9.760 -18.278 554 HD2 PRO 71 HD1 PRO 71 6.007 10.522 -15.667 555 HD3 PRO 71 HD2 PRO 71 4.731 9.402 -16.198 556 H LYS 72 H LYS 72 8.495 5.425 -16.136 557 HA LYS 72 HA LYS 72 10.580 4.738 -15.671 558 HB2 LYS 72 HB1 LYS 72 11.602 7.545 -16.091 559 HB3 LYS 72 HB2 LYS 72 12.466 6.016 -16.334 560 HG2 LYS 72 HG1 LYS 72 10.148 7.074 -17.997 561 HG3 LYS 72 HG2 LYS 72 11.867 7.087 -18.422 562 HD2 LYS 72 HD1 LYS 72 11.886 4.657 -18.625 563 HD3 LYS 72 HD2 LYS 72 10.241 4.546 -17.941 564 HE2 LYS 72 HE1 LYS 72 9.337 5.821 -19.812 565 HE3 LYS 72 HE2 LYS 72 10.936 5.978 -20.545 566 HZ1 LYS 72 HZ1 LYS 72 10.952 3.594 -20.854 567 HZ2 LYS 72 HZ2 LYS 72 9.590 4.229 -21.510 568 HZ3 LYS 72 HZ3 LYS 72 9.507 3.419 -20.080 569 H GLY 73 H GLY 73 8.958 6.606 -13.662 570 HA2 GLY 73 HA3 GLY 73 10.979 6.946 -11.544 571 HA3 GLY 73 HA2 GLY 73 9.295 7.518 -11.523 572 H ARG 74 H ARG 74 9.758 6.511 -9.399 573 HA ARG 74 HA ARG 74 8.310 4.042 -9.170 574 HB2 ARG 74 HB1 ARG 74 9.799 2.547 -8.310 575 HB3 ARG 74 HB2 ARG 74 10.652 3.272 -9.686 576 HG2 ARG 74 HG1 ARG 74 12.121 4.500 -8.214 577 HG3 ARG 74 HG2 ARG 74 11.210 3.977 -6.775 578 HD2 ARG 74 HD1 ARG 74 11.719 1.674 -7.139 579 HD3 ARG 74 HD2 ARG 74 12.307 2.008 -8.789 580 HE ARG 74 HE ARG 74 13.839 3.336 -6.725 581 HH11 ARG 74 HH12 ARG 74 13.437 0.319 -8.580 582 HH12 ARG 74 HH11 ARG 74 15.065 -0.178 -8.343 583 HH21 ARG 74 HH22 ARG 74 16.017 2.688 -6.566 584 HH22 ARG 74 HH21 ARG 74 16.540 1.205 -7.322 585 H VAL 75 H VAL 75 7.901 3.402 -6.908 586 HA VAL 75 HA VAL 75 8.597 5.368 -4.783 587 HB VAL 75 HB VAL 75 6.270 5.379 -3.938 588 HG11 VAL 75 HG11 VAL 75 7.109 7.266 -5.312 589 HG12 VAL 75 HG12 VAL 75 6.424 6.499 -6.764 590 HG13 VAL 75 HG13 VAL 75 5.358 7.035 -5.451 591 HG21 VAL 75 HG21 VAL 75 5.499 4.082 -6.592 592 HG22 VAL 75 HG22 VAL 75 5.346 3.351 -4.980 593 HG23 VAL 75 HG23 VAL 75 4.373 4.763 -5.401 594 H GLU 76 H GLU 76 8.551 4.528 -2.654 595 HA GLU 76 HA GLU 76 7.713 1.684 -2.358 596 HB2 GLU 76 HB1 GLU 76 9.237 2.228 -0.149 597 HB3 GLU 76 HB2 GLU 76 9.704 1.259 -1.574 598 HG2 GLU 76 HG1 GLU 76 11.502 2.731 -1.005 599 HG3 GLU 76 HG2 GLU 76 10.825 3.260 -2.544 600 H LEU 77 H LEU 77 5.975 1.359 -1.194 601 HA LEU 77 HA LEU 77 4.685 3.609 0.188 602 HB2 LEU 77 HB1 LEU 77 3.891 0.799 -0.515 603 HB3 LEU 77 HB2 LEU 77 3.042 1.645 0.807 604 HG LEU 77 HG LEU 77 2.672 3.565 -0.843 605 HD11 LEU 77 HD11 LEU 77 3.510 1.458 -2.871 606 HD12 LEU 77 HD12 LEU 77 4.245 3.050 -2.606 607 HD13 LEU 77 HD13 LEU 77 2.614 2.940 -3.265 608 HD21 LEU 77 HD21 LEU 77 0.714 2.474 -1.920 609 HD22 LEU 77 HD22 LEU 77 0.830 2.177 -0.188 610 HD23 LEU 77 HD23 LEU 77 1.289 0.904 -1.324 611 H LYS 78 H LYS 78 4.202 3.747 2.370 612 HA LYS 78 HA LYS 78 5.951 2.297 4.228 613 HB2 LYS 78 HB1 LYS 78 7.136 4.463 4.791 614 HB3 LYS 78 HB2 LYS 78 7.536 3.747 3.210 615 HG2 LYS 78 HG1 LYS 78 6.130 5.381 2.071 616 HG3 LYS 78 HG2 LYS 78 5.576 6.024 3.639 617 HD2 LYS 78 HD1 LYS 78 7.194 7.543 2.729 618 HD3 LYS 78 HD2 LYS 78 7.906 6.731 4.140 619 HE2 LYS 78 HE1 LYS 78 9.597 6.875 2.464 620 HE3 LYS 78 HE2 LYS 78 9.107 5.176 2.523 621 HZ1 LYS 78 HZ1 LYS 78 8.246 7.129 0.452 622 HZ2 LYS 78 HZ2 LYS 78 7.820 5.527 0.519 623 HZ3 LYS 78 HZ3 LYS 78 9.343 5.928 0.285 624 HA PRO 79 HA PRO 79 2.818 3.140 7.138 625 HB2 PRO 79 HB1 PRO 79 4.195 3.518 9.523 626 HB3 PRO 79 HB2 PRO 79 3.882 1.939 8.749 627 HG2 PRO 79 HG1 PRO 79 6.370 3.640 8.578 628 HG3 PRO 79 HG2 PRO 79 6.246 1.861 8.831 629 HD2 PRO 79 HD1 PRO 79 6.794 2.891 6.383 630 HD3 PRO 79 HD2 PRO 79 5.685 1.498 6.556 631 H GLY 80 H GLY 80 5.505 5.502 7.806 632 HA2 GLY 80 HA3 GLY 80 3.547 7.715 7.940 633 HA3 GLY 80 HA2 GLY 80 5.316 7.839 8.081 634 H GLY 81 H GLY 81 2.580 7.557 5.863 635 HA2 GLY 81 HA3 GLY 81 3.465 9.100 3.788 636 HA3 GLY 81 HA2 GLY 81 4.219 7.526 3.448 637 H TYR 82 H TYR 82 2.890 5.724 3.036 638 HA TYR 82 HA TYR 82 0.098 6.118 2.231 639 HB2 TYR 82 HB1 TYR 82 2.246 5.569 0.154 640 HB3 TYR 82 HB2 TYR 82 0.496 5.623 -0.114 641 HD1 TYR 82 HD1 TYR 82 -0.717 7.823 0.084 642 HD2 TYR 82 HD2 TYR 82 3.580 7.536 0.195 643 HE1 TYR 82 HE1 TYR 82 -0.559 10.281 -0.222 644 HE2 TYR 82 HE2 TYR 82 3.766 9.981 -0.115 645 HH TYR 82 HH TYR 82 0.893 12.113 -0.268 646 H HIS 83 H HIS 83 -0.976 4.202 2.053 647 HA HIS 83 HA HIS 83 0.404 1.607 1.889 648 HB2 HIS 83 HB1 HIS 83 -0.432 0.932 4.182 649 HB3 HIS 83 HB2 HIS 83 1.007 1.977 4.084 650 HD1 HIS 83 HD1 HIS 83 0.877 4.340 5.237 651 HD2 HIS 83 HD2 HIS 83 -2.706 2.084 5.327 652 HE1 HIS 83 HE1 HIS 83 -0.716 5.557 6.788 653 H PHE 84 H PHE 84 -1.045 -0.209 1.865 654 HA PHE 84 HA PHE 84 -3.878 0.492 1.222 655 HB2 PHE 84 HB1 PHE 84 -2.256 -2.065 1.022 656 HB3 PHE 84 HB2 PHE 84 -3.997 -1.959 0.703 657 HD1 PHE 84 HD2 PHE 84 -4.721 -0.142 -1.056 658 HD2 PHE 84 HD1 PHE 84 -0.744 -1.787 -0.762 659 HE1 PHE 84 HE2 PHE 84 -4.326 0.350 -3.450 660 HE2 PHE 84 HE1 PHE 84 -0.336 -1.206 -3.148 661 HZ PHE 84 HZ PHE 84 -2.137 -0.129 -4.485 662 H MET 85 H MET 85 -5.116 0.659 2.959 663 HA MET 85 HA MET 85 -4.694 -0.885 5.413 664 HB2 MET 85 HB1 MET 85 -6.104 1.429 4.723 665 HB3 MET 85 HB2 MET 85 -7.382 0.221 4.973 666 HG2 MET 85 HG1 MET 85 -7.148 1.085 7.070 667 HG3 MET 85 HG2 MET 85 -6.128 -0.328 7.189 668 HE1 MET 85 HE1 MET 85 -3.223 0.167 6.472 669 HE2 MET 85 HE2 MET 85 -2.682 0.998 7.940 670 HE3 MET 85 HE3 MET 85 -3.854 -0.346 8.061 671 H LEU 86 H LEU 86 -5.320 -2.881 5.749 672 HA LEU 86 HA LEU 86 -7.075 -4.261 3.747 673 HB2 LEU 86 HB1 LEU 86 -5.160 -5.424 5.805 674 HB3 LEU 86 HB2 LEU 86 -6.093 -6.332 4.598 675 HG LEU 86 HG LEU 86 -3.735 -4.466 4.117 676 HD11 LEU 86 HD11 LEU 86 -3.175 -6.687 5.006 677 HD12 LEU 86 HD12 LEU 86 -2.667 -6.563 3.316 678 HD13 LEU 86 HD13 LEU 86 -4.131 -7.467 3.728 679 HD21 LEU 86 HD21 LEU 86 -5.269 -4.147 2.242 680 HD22 LEU 86 HD22 LEU 86 -5.459 -5.909 2.055 681 HD23 LEU 86 HD23 LEU 86 -3.896 -5.128 1.721 682 H LEU 87 H LEU 87 -9.122 -4.432 4.411 683 HA LEU 87 HA LEU 87 -9.765 -4.527 7.344 684 HB2 LEU 87 HB1 LEU 87 -11.207 -3.428 4.917 685 HB3 LEU 87 HB2 LEU 87 -12.033 -3.704 6.459 686 HG LEU 87 HG LEU 87 -11.555 -1.369 6.068 687 HD11 LEU 87 HD11 LEU 87 -9.844 -2.412 8.344 688 HD12 LEU 87 HD12 LEU 87 -11.605 -2.175 8.401 689 HD13 LEU 87 HD13 LEU 87 -10.518 -0.784 8.188 690 HD21 LEU 87 HD21 LEU 87 -9.423 -1.654 4.743 691 HD22 LEU 87 HD22 LEU 87 -8.579 -1.917 6.297 692 HD23 LEU 87 HD23 LEU 87 -9.400 -0.381 5.978 693 H GLY 88 H GLY 88 -10.159 -6.589 7.909 694 HA2 GLY 88 HA3 GLY 88 -11.331 -8.623 7.958 695 HA3 GLY 88 HA2 GLY 88 -11.992 -8.292 6.340 696 H LEU 89 H LEU 89 -9.423 -9.789 8.160 697 HA LEU 89 HA LEU 89 -7.760 -10.286 5.758 698 HB2 LEU 89 HB1 LEU 89 -7.196 -11.035 8.632 699 HB3 LEU 89 HB2 LEU 89 -6.048 -10.981 7.280 700 HG LEU 89 HG LEU 89 -7.396 -8.630 8.664 701 HD11 LEU 89 HD11 LEU 89 -5.461 -9.761 9.825 702 HD12 LEU 89 HD12 LEU 89 -5.229 -8.043 9.463 703 HD13 LEU 89 HD13 LEU 89 -4.440 -9.273 8.456 704 HD21 LEU 89 HD21 LEU 89 -6.004 -7.158 7.239 705 HD22 LEU 89 HD22 LEU 89 -7.200 -8.042 6.287 706 HD23 LEU 89 HD23 LEU 89 -5.499 -8.568 6.277 707 H LYS 90 H LYS 90 -7.667 -12.157 4.687 708 HA LYS 90 HA LYS 90 -9.571 -14.276 5.365 709 HB2 LYS 90 HB1 LYS 90 -7.518 -14.042 3.144 710 HB3 LYS 90 HB2 LYS 90 -8.798 -15.259 3.211 711 HG2 LYS 90 HG1 LYS 90 -9.317 -12.271 3.064 712 HG3 LYS 90 HG2 LYS 90 -9.169 -13.335 1.637 713 HD2 LYS 90 HD1 LYS 90 -11.099 -14.687 2.566 714 HD3 LYS 90 HD2 LYS 90 -11.326 -13.403 3.776 715 HE2 LYS 90 HE1 LYS 90 -11.556 -11.733 1.980 716 HE3 LYS 90 HE2 LYS 90 -11.243 -12.964 0.747 717 HZ1 LYS 90 HZ1 LYS 90 -13.371 -14.029 1.482 718 HZ2 LYS 90 HZ2 LYS 90 -13.564 -12.455 0.967 719 HZ3 LYS 90 HZ3 LYS 90 -13.627 -12.720 2.495 720 H ARG 91 H ARG 91 -6.227 -13.790 6.011 721 HA ARG 91 HA ARG 91 -6.120 -16.429 7.363 722 HB2 ARG 91 HB1 ARG 91 -3.896 -15.157 5.699 723 HB3 ARG 91 HB2 ARG 91 -3.609 -16.424 6.921 724 HG2 ARG 91 HG1 ARG 91 -5.155 -17.923 5.675 725 HG3 ARG 91 HG2 ARG 91 -5.313 -16.691 4.408 726 HD2 ARG 91 HD1 ARG 91 -2.919 -16.863 3.898 727 HD3 ARG 91 HD2 ARG 91 -2.683 -17.995 5.250 728 HE ARG 91 HE ARG 91 -4.662 -19.155 3.716 729 HH11 ARG 91 HH12 ARG 91 -1.271 -18.303 3.113 730 HH12 ARG 91 HH11 ARG 91 -1.152 -19.329 1.718 731 HH21 ARG 91 HH22 ARG 91 -4.351 -20.711 2.147 732 HH22 ARG 91 HH21 ARG 91 -2.814 -20.825 1.324 733 HA PRO 92 HA PRO 92 -4.289 -13.522 10.432 734 HB2 PRO 92 HB1 PRO 92 -3.140 -15.280 12.154 735 HB3 PRO 92 HB2 PRO 92 -4.886 -14.897 12.177 736 HG2 PRO 92 HG1 PRO 92 -3.488 -17.291 10.964 737 HG3 PRO 92 HG2 PRO 92 -5.031 -17.255 11.890 738 HD2 PRO 92 HD1 PRO 92 -4.835 -17.327 9.097 739 HD3 PRO 92 HD2 PRO 92 -6.237 -16.666 9.982 740 H LEU 93 H LEU 93 -2.531 -12.618 9.775 741 HA LEU 93 HA LEU 93 -1.164 -13.597 7.517 742 HB2 LEU 93 HB1 LEU 93 -1.072 -11.183 9.259 743 HB3 LEU 93 HB2 LEU 93 0.374 -11.462 8.267 744 HG LEU 93 HG LEU 93 -1.339 -9.900 7.323 745 HD11 LEU 93 HD11 LEU 93 0.414 -10.893 5.961 746 HD12 LEU 93 HD12 LEU 93 -1.080 -10.733 5.027 747 HD13 LEU 93 HD13 LEU 93 -0.590 -12.327 5.644 748 HD21 LEU 93 HD21 LEU 93 -3.380 -11.251 7.918 749 HD22 LEU 93 HD22 LEU 93 -2.939 -12.395 6.633 750 HD23 LEU 93 HD23 LEU 93 -3.318 -10.714 6.228 751 H LYS 94 H LYS 94 0.222 -15.256 7.428 752 HA LYS 94 HA LYS 94 1.972 -15.764 9.677 753 HB2 LYS 94 HB1 LYS 94 0.842 -17.566 8.476 754 HB3 LYS 94 HB2 LYS 94 1.648 -17.095 6.967 755 HG2 LYS 94 HG1 LYS 94 2.669 -19.085 7.889 756 HG3 LYS 94 HG2 LYS 94 3.822 -17.735 7.895 757 HD2 LYS 94 HD1 LYS 94 4.006 -18.905 10.001 758 HD3 LYS 94 HD2 LYS 94 3.235 -17.324 10.279 759 HE2 LYS 94 HE1 LYS 94 1.017 -18.419 10.324 760 HE3 LYS 94 HE2 LYS 94 1.781 -19.990 10.006 761 HZ1 LYS 94 HZ1 LYS 94 1.318 -19.651 12.358 762 HZ2 LYS 94 HZ2 LYS 94 2.226 -18.281 12.392 763 HZ3 LYS 94 HZ3 LYS 94 2.945 -19.733 12.120 764 H ALA 95 H ALA 95 3.555 -14.227 9.913 765 HA ALA 95 HA ALA 95 5.553 -13.598 7.928 766 HB1 ALA 95 HB1 ALA 95 5.852 -14.194 10.910 767 HB2 ALA 95 HB2 ALA 95 7.066 -13.418 9.871 768 HB3 ALA 95 HB3 ALA 95 5.527 -12.596 10.189 769 H GLY 96 H GLY 96 6.440 -15.058 6.611 770 HA2 GLY 96 HA3 GLY 96 7.767 -17.076 6.235 771 HA3 GLY 96 HA2 GLY 96 6.832 -17.862 7.527 772 H GLU 97 H GLU 97 4.564 -16.100 5.625 773 HA GLU 97 HA GLU 97 4.468 -18.192 3.532 774 HB2 GLU 97 HB1 GLU 97 2.212 -18.051 3.301 775 HB3 GLU 97 HB2 GLU 97 2.456 -18.125 5.033 776 HG2 GLU 97 HG1 GLU 97 2.097 -15.553 4.986 777 HG3 GLU 97 HG2 GLU 97 1.550 -15.777 3.314 778 H GLU 98 H GLU 98 3.412 -17.329 1.545 779 HA GLU 98 HA GLU 98 4.787 -14.826 0.655 780 HB2 GLU 98 HB1 GLU 98 3.716 -17.212 -0.897 781 HB3 GLU 98 HB2 GLU 98 4.464 -15.768 -1.616 782 HG2 GLU 98 HG1 GLU 98 6.600 -16.314 -0.538 783 HG3 GLU 98 HG2 GLU 98 5.869 -17.713 0.274 784 H VAL 99 H VAL 99 3.534 -13.192 -0.238 785 HA VAL 99 HA VAL 99 0.568 -13.660 -0.460 786 HB VAL 99 HB VAL 99 2.037 -11.190 0.552 787 HG11 VAL 99 HG11 VAL 99 -0.846 -11.640 -0.268 788 HG12 VAL 99 HG12 VAL 99 -0.406 -10.362 0.867 789 HG13 VAL 99 HG13 VAL 99 0.230 -10.310 -0.781 790 HG21 VAL 99 HG21 VAL 99 1.690 -13.019 2.215 791 HG22 VAL 99 HG22 VAL 99 0.696 -11.598 2.586 792 HG23 VAL 99 HG23 VAL 99 -0.032 -13.031 1.830 793 H GLU 100 H GLU 100 0.056 -13.792 -2.491 794 HA GLU 100 HA GLU 100 1.145 -12.231 -4.692 795 HB2 GLU 100 HB1 GLU 100 -1.578 -13.473 -4.227 796 HB3 GLU 100 HB2 GLU 100 -1.086 -12.632 -5.724 797 HG2 GLU 100 HG1 GLU 100 0.718 -14.442 -5.937 798 HG3 GLU 100 HG2 GLU 100 -0.197 -15.333 -4.706 799 H LEU 101 H LEU 101 0.451 -10.255 -5.514 800 HA LEU 101 HA LEU 101 -1.999 -8.998 -4.523 801 HB2 LEU 101 HB1 LEU 101 -0.225 -8.505 -2.948 802 HB3 LEU 101 HB2 LEU 101 0.764 -7.839 -4.246 803 HG LEU 101 HG LEU 101 0.093 -6.121 -2.961 804 HD11 LEU 101 HD11 LEU 101 -0.993 -4.652 -4.478 805 HD12 LEU 101 HD12 LEU 101 -1.932 -5.994 -5.202 806 HD13 LEU 101 HD13 LEU 101 -0.175 -5.846 -5.479 807 HD21 LEU 101 HD21 LEU 101 -2.820 -6.979 -3.111 808 HD22 LEU 101 HD22 LEU 101 -2.159 -5.588 -2.212 809 HD23 LEU 101 HD23 LEU 101 -1.731 -7.218 -1.724 810 H ASP 102 H ASP 102 -3.012 -8.550 -6.234 811 HA ASP 102 HA ASP 102 -1.971 -7.818 -8.884 812 HB2 ASP 102 HB1 ASP 102 -4.627 -8.365 -7.574 813 HB3 ASP 102 HB2 ASP 102 -4.580 -7.498 -9.105 814 H LEU 103 H LEU 103 -1.359 -5.773 -9.276 815 HA LEU 103 HA LEU 103 -2.162 -3.512 -7.588 816 HB2 LEU 103 HB1 LEU 103 -0.484 -3.692 -10.128 817 HB3 LEU 103 HB2 LEU 103 -0.575 -2.285 -9.061 818 HG LEU 103 HG LEU 103 0.517 -5.018 -8.218 819 HD11 LEU 103 HD11 LEU 103 1.965 -2.531 -9.194 820 HD12 LEU 103 HD12 LEU 103 1.908 -4.113 -10.005 821 HD13 LEU 103 HD13 LEU 103 2.747 -3.945 -8.450 822 HD21 LEU 103 HD21 LEU 103 -0.319 -3.468 -6.390 823 HD22 LEU 103 HD22 LEU 103 0.873 -2.276 -6.938 824 HD23 LEU 103 HD23 LEU 103 1.397 -3.873 -6.330 825 H LEU 104 H LEU 104 -3.937 -2.246 -7.990 826 HA LEU 104 HA LEU 104 -5.333 -2.647 -10.586 827 HB2 LEU 104 HB1 LEU 104 -6.365 -1.178 -8.151 828 HB3 LEU 104 HB2 LEU 104 -7.287 -1.823 -9.516 829 HG LEU 104 HG LEU 104 -5.977 -3.333 -7.300 830 HD11 LEU 104 HD11 LEU 104 -8.145 -2.278 -6.752 831 HD12 LEU 104 HD12 LEU 104 -8.257 -4.043 -6.725 832 HD13 LEU 104 HD13 LEU 104 -8.903 -3.133 -8.110 833 HD21 LEU 104 HD21 LEU 104 -5.685 -4.735 -9.264 834 HD22 LEU 104 HD22 LEU 104 -7.356 -4.431 -9.796 835 HD23 LEU 104 HD23 LEU 104 -7.033 -5.404 -8.345 836 H PHE 105 H PHE 105 -5.126 -1.186 -12.164 837 HA PHE 105 HA PHE 105 -4.390 1.635 -11.445 838 HB2 PHE 105 HB1 PHE 105 -3.624 -0.072 -13.823 839 HB3 PHE 105 HB2 PHE 105 -3.267 1.645 -13.694 840 HD1 PHE 105 HD1 PHE 105 -1.712 2.405 -11.759 841 HD2 PHE 105 HD2 PHE 105 -2.189 -1.717 -12.928 842 HE1 PHE 105 HE1 PHE 105 0.436 1.842 -10.650 843 HE2 PHE 105 HE2 PHE 105 -0.024 -2.261 -11.856 844 HZ PHE 105 HZ PHE 105 1.288 -0.489 -10.708 845 H ALA 106 H ALA 106 -5.186 3.296 -12.680 846 HA ALA 106 HA ALA 106 -7.908 3.275 -13.134 847 HB1 ALA 106 HB1 ALA 106 -6.562 5.276 -12.653 848 HB2 ALA 106 HB2 ALA 106 -5.853 5.201 -14.286 849 HB3 ALA 106 HB3 ALA 106 -7.587 5.526 -14.079 850 H GLY 107 H GLY 107 -9.068 2.206 -14.523 851 HA2 GLY 107 HA3 GLY 107 -10.144 1.786 -16.511 852 HA3 GLY 107 HA2 GLY 107 -8.929 2.771 -17.357 853 H GLY 108 H GLY 108 -9.406 -0.443 -15.849 854 HA2 GLY 108 HA3 GLY 108 -9.238 -2.494 -16.800 855 HA3 GLY 108 HA2 GLY 108 -8.769 -1.703 -18.322 856 H LYS 109 H LYS 109 -6.357 -0.702 -16.218 857 HA LYS 109 HA LYS 109 -4.587 -2.947 -17.025 858 HB2 LYS 109 HB1 LYS 109 -4.202 -0.144 -15.975 859 HB3 LYS 109 HB2 LYS 109 -2.918 -1.378 -15.829 860 HG2 LYS 109 HG1 LYS 109 -2.324 -0.223 -17.735 861 HG3 LYS 109 HG2 LYS 109 -3.133 -1.660 -18.371 862 HD2 LYS 109 HD1 LYS 109 -3.830 0.269 -19.652 863 HD3 LYS 109 HD2 LYS 109 -5.211 -0.262 -18.678 864 HE2 LYS 109 HE1 LYS 109 -4.437 1.494 -16.945 865 HE3 LYS 109 HE2 LYS 109 -3.333 2.105 -18.181 866 HZ1 LYS 109 HZ1 LYS 109 -6.248 1.818 -18.595 867 HZ2 LYS 109 HZ2 LYS 109 -5.209 2.705 -19.517 868 HZ3 LYS 109 HZ3 LYS 109 -5.614 3.166 -17.964 869 H VAL 110 H VAL 110 -4.234 -4.596 -15.628 870 HA VAL 110 HA VAL 110 -3.799 -3.959 -12.831 871 HB VAL 110 HB VAL 110 -6.025 -4.754 -12.747 872 HG11 VAL 110 HG11 VAL 110 -6.787 -6.936 -13.576 873 HG12 VAL 110 HG12 VAL 110 -6.259 -5.879 -14.887 874 HG13 VAL 110 HG13 VAL 110 -5.208 -7.208 -14.342 875 HG21 VAL 110 HG21 VAL 110 -5.868 -6.676 -11.272 876 HG22 VAL 110 HG22 VAL 110 -4.289 -7.131 -11.940 877 HG23 VAL 110 HG23 VAL 110 -4.456 -5.643 -10.991 878 H LEU 111 H LEU 111 -2.070 -5.031 -11.970 879 HA LEU 111 HA LEU 111 -0.593 -6.996 -13.688 880 HB2 LEU 111 HB1 LEU 111 0.445 -4.372 -12.544 881 HB3 LEU 111 HB2 LEU 111 1.478 -5.614 -13.268 882 HG LEU 111 HG LEU 111 -0.691 -4.050 -14.746 883 HD11 LEU 111 HD11 LEU 111 2.339 -3.717 -14.756 884 HD12 LEU 111 HD12 LEU 111 1.166 -2.598 -14.027 885 HD13 LEU 111 HD13 LEU 111 1.185 -2.834 -15.781 886 HD21 LEU 111 HD21 LEU 111 1.503 -5.909 -15.788 887 HD22 LEU 111 HD22 LEU 111 0.396 -4.947 -16.789 888 HD23 LEU 111 HD23 LEU 111 -0.236 -6.262 -15.792 889 H LYS 112 H LYS 112 0.118 -8.695 -12.472 890 HA LYS 112 HA LYS 112 -0.133 -8.488 -9.579 891 HB2 LYS 112 HB1 LYS 112 -0.932 -10.450 -10.839 892 HB3 LYS 112 HB2 LYS 112 0.741 -10.859 -11.261 893 HG2 LYS 112 HG1 LYS 112 1.325 -11.302 -9.016 894 HG3 LYS 112 HG2 LYS 112 -0.091 -10.453 -8.361 895 HD2 LYS 112 HD1 LYS 112 -0.259 -13.052 -9.921 896 HD3 LYS 112 HD2 LYS 112 -0.166 -12.896 -8.138 897 HE2 LYS 112 HE1 LYS 112 -2.203 -11.462 -8.204 898 HE3 LYS 112 HE2 LYS 112 -2.338 -11.741 -9.947 899 HZ1 LYS 112 HZ1 LYS 112 -3.770 -13.202 -8.752 900 HZ2 LYS 112 HZ2 LYS 112 -2.565 -13.793 -7.803 901 HZ3 LYS 112 HZ3 LYS 112 -2.535 -14.144 -9.366 902 H VAL 113 H VAL 113 1.319 -8.317 -8.084 903 HA VAL 113 HA VAL 113 4.135 -9.160 -8.600 904 HB VAL 113 HB VAL 113 4.928 -7.697 -6.800 905 HG11 VAL 113 HG11 VAL 113 3.601 -6.161 -9.073 906 HG12 VAL 113 HG12 VAL 113 4.954 -5.601 -8.071 907 HG13 VAL 113 HG13 VAL 113 5.167 -6.998 -9.142 908 HG21 VAL 113 HG21 VAL 113 2.190 -6.350 -6.884 909 HG22 VAL 113 HG22 VAL 113 2.826 -7.332 -5.544 910 HG23 VAL 113 HG23 VAL 113 3.608 -5.802 -5.970 911 H VAL 114 H VAL 114 5.122 -9.785 -6.340 912 HA VAL 114 HA VAL 114 3.217 -10.991 -4.479 913 HB VAL 114 HB VAL 114 3.458 -12.835 -5.993 914 HG11 VAL 114 HG11 VAL 114 5.610 -13.870 -6.590 915 HG12 VAL 114 HG12 VAL 114 5.525 -12.211 -7.189 916 HG13 VAL 114 HG13 VAL 114 6.490 -12.585 -5.741 917 HG21 VAL 114 HG21 VAL 114 3.499 -13.403 -3.581 918 HG22 VAL 114 HG22 VAL 114 4.396 -14.572 -4.551 919 HG23 VAL 114 HG23 VAL 114 5.275 -13.366 -3.595 920 H LEU 115 H LEU 115 4.089 -11.174 -2.428 921 HA LEU 115 HA LEU 115 6.796 -10.038 -1.908 922 HB2 LEU 115 HB1 LEU 115 4.110 -8.944 -0.992 923 HB3 LEU 115 HB2 LEU 115 5.663 -8.445 -0.292 924 HG LEU 115 HG LEU 115 4.801 -8.022 -3.186 925 HD11 LEU 115 HD11 LEU 115 3.529 -6.663 -1.591 926 HD12 LEU 115 HD12 LEU 115 4.660 -5.666 -2.519 927 HD13 LEU 115 HD13 LEU 115 5.033 -6.104 -0.834 928 HD21 LEU 115 HD21 LEU 115 7.256 -8.196 -3.085 929 HD22 LEU 115 HD22 LEU 115 7.304 -7.134 -1.678 930 HD23 LEU 115 HD23 LEU 115 6.804 -6.501 -3.263 931 HA PRO 116 HA PRO 116 6.401 -12.590 1.830 932 HB2 PRO 116 HB1 PRO 116 8.307 -11.495 3.415 933 HB3 PRO 116 HB2 PRO 116 8.731 -12.361 1.908 934 HG2 PRO 116 HG1 PRO 116 8.399 -9.367 2.281 935 HG3 PRO 116 HG2 PRO 116 9.792 -10.237 1.546 936 HD2 PRO 116 HD1 PRO 116 7.784 -9.191 0.024 937 HD3 PRO 116 HD2 PRO 116 8.557 -10.748 -0.399 938 H VAL 117 H VAL 117 5.970 -12.395 4.137 939 HA VAL 117 HA VAL 117 4.404 -10.014 4.963 940 HB VAL 117 HB VAL 117 4.475 -12.907 5.902 941 HG11 VAL 117 HG11 VAL 117 4.010 -11.541 7.825 942 HG12 VAL 117 HG12 VAL 117 2.789 -10.601 6.929 943 HG13 VAL 117 HG13 VAL 117 2.508 -12.316 7.311 944 HG21 VAL 117 HG21 VAL 117 2.305 -11.349 4.445 945 HG22 VAL 117 HG22 VAL 117 3.294 -12.669 3.779 946 HG23 VAL 117 HG23 VAL 117 2.136 -13.003 5.071 947 H GLU 118 H GLU 118 5.145 -8.780 6.649 948 HA GLU 118 HA GLU 118 6.901 -9.953 8.730 949 HB2 GLU 118 HB1 GLU 118 7.502 -7.376 7.233 950 HB3 GLU 118 HB2 GLU 118 8.195 -7.795 8.831 951 HG2 GLU 118 HG1 GLU 118 9.906 -8.654 7.748 952 HG3 GLU 118 HG2 GLU 118 8.869 -9.995 7.284 953 H ALA 119 H ALA 119 6.682 -8.917 10.777 954 HA ALA 119 HA ALA 119 4.472 -6.930 11.060 955 HB1 ALA 119 HB1 ALA 119 4.896 -7.258 13.503 956 HB2 ALA 119 HB2 ALA 119 4.349 -8.707 12.660 957 HB3 ALA 119 HB3 ALA 119 6.070 -8.528 13.103 958 H ARG 120 H ARG 120 5.592 -5.251 9.905 959 HA ARG 120 HA ARG 120 7.094 -3.594 11.787 960 HB2 ARG 120 HB1 ARG 120 8.891 -2.981 10.306 961 HB3 ARG 120 HB2 ARG 120 8.922 -4.718 10.688 962 HG2 ARG 120 HG1 ARG 120 7.817 -5.085 8.406 963 HG3 ARG 120 HG2 ARG 120 8.177 -3.364 8.087 964 HD2 ARG 120 HD1 ARG 120 10.552 -3.742 8.353 965 HD3 ARG 120 HD2 ARG 120 10.264 -5.429 8.858 966 HE ARG 120 HE ARG 120 9.909 -6.062 6.624 967 HH11 ARG 120 HH12 ARG 120 10.124 -2.584 6.576 968 HH12 ARG 120 HH11 ARG 120 10.298 -2.593 4.845 969 HH21 ARG 120 HH22 ARG 120 10.241 -6.006 4.623 970 HH22 ARG 120 HH21 ARG 120 10.490 -4.504 3.725 Start of MODEL 21 1 H1 GLY 1 1H GLY 1 15.464 -1.536 -7.559 2 H2 GLY 1 2H GLY 1 14.189 -1.088 -8.488 3 H3 GLY 1 3H GLY 1 15.475 -0.094 -8.404 4 HA2 GLY 1 HA3 GLY 1 15.235 -1.467 -10.488 5 HA3 GLY 1 HA2 GLY 1 16.821 -1.533 -9.687 6 H SER 2 H SER 2 13.573 -3.089 -9.590 7 HA SER 2 HA SER 2 14.769 -5.485 -8.236 8 HB2 SER 2 HB1 SER 2 12.750 -3.602 -6.970 9 HB3 SER 2 HB2 SER 2 13.623 -4.925 -6.187 10 HG SER 2 HG SER 2 14.510 -2.963 -5.556 11 H PHE 3 H PHE 3 13.114 -7.109 -7.639 12 HA PHE 3 HA PHE 3 10.741 -7.288 -9.331 13 HB2 PHE 3 HB1 PHE 3 11.521 -8.904 -6.881 14 HB3 PHE 3 HB2 PHE 3 10.364 -9.368 -8.135 15 HD1 PHE 3 HD2 PHE 3 11.378 -9.521 -10.602 16 HD2 PHE 3 HD1 PHE 3 13.699 -9.744 -6.974 17 HE1 PHE 3 HE2 PHE 3 13.205 -10.657 -11.835 18 HE2 PHE 3 HE1 PHE 3 15.518 -10.885 -8.208 19 HZ PHE 3 HZ PHE 3 15.278 -11.346 -10.643 20 H THR 4 H THR 4 10.888 -4.910 -7.789 21 HA THR 4 HA THR 4 10.519 -3.687 -5.963 22 HB THR 4 HB THR 4 8.450 -3.601 -4.855 23 HG1 THR 4 HG1 THR 4 8.257 -6.205 -5.815 24 HG21 THR 4 HG21 THR 4 8.525 -2.851 -7.260 25 HG22 THR 4 HG22 THR 4 6.915 -3.324 -6.690 26 HG23 THR 4 HG23 THR 4 7.836 -4.426 -7.724 27 H GLU 5 H GLU 5 10.042 -3.814 -3.544 28 HA GLU 5 HA GLU 5 11.058 -6.211 -2.180 29 HB2 GLU 5 HB1 GLU 5 12.865 -4.897 -1.115 30 HB3 GLU 5 HB2 GLU 5 13.112 -5.171 -2.844 31 HG2 GLU 5 HG1 GLU 5 11.851 -2.591 -1.954 32 HG3 GLU 5 HG2 GLU 5 13.599 -2.834 -1.697 33 H GLY 6 H GLY 6 8.491 -5.146 -2.111 34 HA2 GLY 6 HA3 GLY 6 8.133 -3.421 0.234 35 HA3 GLY 6 HA2 GLY 6 6.860 -4.149 -0.772 36 H TRP 7 H TRP 7 6.286 -4.180 1.811 37 HA TRP 7 HA TRP 7 6.473 -6.989 2.680 38 HB2 TRP 7 HB1 TRP 7 7.435 -6.480 4.826 39 HB3 TRP 7 HB2 TRP 7 8.547 -5.954 3.568 40 HD1 TRP 7 HD TRP 7 6.449 -4.751 6.429 41 HE1 TRP 7 HE1 TRP 7 6.796 -2.260 6.880 42 HE3 TRP 7 3HE TRP 7 9.270 -3.565 2.308 43 HZ2 TRP 7 HZ2 TRP 7 8.028 0.000 5.557 44 HZ3 TRP 7 HZ3 TRP 7 9.936 -1.228 1.888 45 HH2 TRP 7 HH TRP 7 9.326 0.568 3.493 46 H VAL 8 H VAL 8 5.050 -7.442 4.557 47 HA VAL 8 HA VAL 8 2.808 -5.435 4.883 48 HB VAL 8 HB VAL 8 2.700 -8.469 4.775 49 HG11 VAL 8 HG11 VAL 8 0.513 -6.510 5.605 50 HG12 VAL 8 HG12 VAL 8 0.215 -8.186 5.130 51 HG13 VAL 8 HG13 VAL 8 1.187 -7.851 6.563 52 HG21 VAL 8 HG21 VAL 8 1.392 -6.264 3.123 53 HG22 VAL 8 HG22 VAL 8 2.661 -7.370 2.594 54 HG23 VAL 8 HG23 VAL 8 1.048 -7.988 2.946 55 H ARG 9 H ARG 9 2.001 -5.102 7.042 56 HA ARG 9 HA ARG 9 4.002 -5.796 9.067 57 HB2 ARG 9 HB1 ARG 9 2.130 -3.729 8.938 58 HB3 ARG 9 HB2 ARG 9 1.506 -4.789 10.225 59 HG2 ARG 9 HG1 ARG 9 4.033 -4.839 11.001 60 HG3 ARG 9 HG2 ARG 9 4.155 -3.343 10.050 61 HD2 ARG 9 HD1 ARG 9 3.597 -2.369 12.022 62 HD3 ARG 9 HD2 ARG 9 1.947 -2.772 11.534 63 HE ARG 9 HE ARG 9 1.965 -4.617 13.065 64 HH11 ARG 9 HH12 ARG 9 5.154 -3.011 13.101 65 HH12 ARG 9 HH11 ARG 9 5.589 -3.695 14.618 66 HH21 ARG 9 HH22 ARG 9 2.554 -5.342 15.118 67 HH22 ARG 9 HH21 ARG 9 4.091 -4.879 15.809 68 H PHE 10 H PHE 10 3.911 -7.391 10.536 69 HA PHE 10 HA PHE 10 2.147 -9.482 10.879 70 HB2 PHE 10 HB1 PHE 10 4.209 -9.429 12.088 71 HB3 PHE 10 HB2 PHE 10 3.786 -7.864 12.830 72 HD1 PHE 10 HD1 PHE 10 2.880 -11.477 12.818 73 HD2 PHE 10 HD2 PHE 10 2.574 -7.704 14.847 74 HE1 PHE 10 HE1 PHE 10 1.771 -12.603 14.748 75 HE2 PHE 10 HE2 PHE 10 1.457 -8.812 16.762 76 HZ PHE 10 HZ PHE 10 1.035 -11.257 16.705 77 H SER 11 H SER 11 0.166 -9.681 11.443 78 HA SER 11 HA SER 11 -1.210 -8.314 13.530 79 HB2 SER 11 HB1 SER 11 -1.355 -6.463 11.892 80 HB3 SER 11 HB2 SER 11 -2.150 -7.563 10.741 81 HG SER 11 HG SER 11 -3.843 -6.643 11.824 82 HA PRO 12 HA PRO 12 -3.456 -12.122 12.387 83 HB2 PRO 12 HB1 PRO 12 -3.662 -13.279 14.809 84 HB3 PRO 12 HB2 PRO 12 -2.071 -13.196 13.989 85 HG2 PRO 12 HG1 PRO 12 -3.162 -11.307 16.100 86 HG3 PRO 12 HG2 PRO 12 -1.565 -12.136 16.082 87 HD2 PRO 12 HD1 PRO 12 -1.975 -9.555 15.155 88 HD3 PRO 12 HD2 PRO 12 -0.721 -10.641 14.493 89 H GLY 13 H GLY 13 -4.427 -9.272 13.060 90 HA2 GLY 13 HA3 GLY 13 -6.760 -9.722 14.808 91 HA3 GLY 13 HA2 GLY 13 -6.105 -8.160 14.266 92 HA PRO 14 HA PRO 14 -9.889 -9.072 11.724 93 HB2 PRO 14 HB1 PRO 14 -11.257 -6.758 12.148 94 HB3 PRO 14 HB2 PRO 14 -11.266 -8.100 13.333 95 HG2 PRO 14 HG1 PRO 14 -9.519 -5.620 13.350 96 HG3 PRO 14 HG2 PRO 14 -10.497 -6.290 14.704 97 HD2 PRO 14 HD1 PRO 14 -7.820 -6.812 14.433 98 HD3 PRO 14 HD2 PRO 14 -8.957 -8.042 15.059 99 H ASN 15 H ASN 15 -7.508 -6.474 11.814 100 HA ASN 15 HA ASN 15 -7.737 -6.141 8.909 101 HB2 ASN 15 HB1 ASN 15 -7.916 -3.786 8.993 102 HB3 ASN 15 HB2 ASN 15 -9.203 -4.428 10.025 103 HD21 ASN 15 HD21 ASN 15 -7.350 -1.833 9.851 104 HD22 ASN 15 HD22 ASN 15 -6.960 -1.616 11.554 105 H ALA 16 H ALA 16 -5.971 -4.865 7.995 106 HA ALA 16 HA ALA 16 -3.497 -4.500 9.521 107 HB1 ALA 16 HB1 ALA 16 -2.163 -6.060 8.174 108 HB2 ALA 16 HB2 ALA 16 -3.476 -6.936 8.964 109 HB3 ALA 16 HB3 ALA 16 -3.603 -6.530 7.244 110 H ALA 17 H ALA 17 -1.665 -4.029 7.778 111 HA ALA 17 HA ALA 17 -2.667 -2.331 5.568 112 HB1 ALA 17 HB1 ALA 17 -0.329 -1.663 7.430 113 HB2 ALA 17 HB2 ALA 17 -0.926 -0.680 6.083 114 HB3 ALA 17 HB3 ALA 17 -1.916 -0.890 7.539 115 H ALA 18 H ALA 18 -1.671 -2.762 3.685 116 HA ALA 18 HA ALA 18 0.930 -4.233 3.708 117 HB1 ALA 18 HB1 ALA 18 -1.017 -3.732 1.417 118 HB2 ALA 18 HB2 ALA 18 0.524 -4.601 1.309 119 HB3 ALA 18 HB3 ALA 18 -0.799 -5.261 2.294 120 H TYR 19 H TYR 19 2.685 -3.163 3.499 121 HA TYR 19 HA TYR 19 2.814 -0.439 2.307 122 HB2 TYR 19 HB1 TYR 19 5.070 -2.023 3.544 123 HB3 TYR 19 HB2 TYR 19 4.975 -0.287 3.341 124 HD1 TYR 19 HD1 TYR 19 2.974 0.884 4.767 125 HD2 TYR 19 HD2 TYR 19 4.611 -3.015 5.539 126 HE1 TYR 19 HE1 TYR 19 2.079 0.956 7.099 127 HE2 TYR 19 HE2 TYR 19 3.879 -2.904 7.876 128 HH TYR 19 HH TYR 19 1.978 -0.112 9.142 129 H LEU 20 H LEU 20 4.364 -0.190 0.505 130 HA LEU 20 HA LEU 20 5.792 -2.422 -0.487 131 HB2 LEU 20 HB1 LEU 20 4.691 -2.800 -2.669 132 HB3 LEU 20 HB2 LEU 20 3.787 -3.410 -1.279 133 HG LEU 20 HG LEU 20 2.697 -0.892 -1.612 134 HD11 LEU 20 HD11 LEU 20 3.973 -0.555 -3.729 135 HD12 LEU 20 HD12 LEU 20 2.222 -0.565 -3.958 136 HD13 LEU 20 HD13 LEU 20 3.197 -1.994 -4.403 137 HD21 LEU 20 HD21 LEU 20 1.425 -2.947 -1.227 138 HD22 LEU 20 HD22 LEU 20 1.776 -3.509 -2.874 139 HD23 LEU 20 HD23 LEU 20 0.769 -2.077 -2.623 140 H THR 21 H THR 21 7.340 -1.980 -1.758 141 HA THR 21 HA THR 21 7.768 0.720 -2.839 142 HB THR 21 HB THR 21 9.451 -1.794 -3.104 143 HG1 THR 21 HG1 THR 21 10.161 0.236 -1.328 144 HG21 THR 21 HG21 THR 21 10.054 1.179 -3.451 145 HG22 THR 21 HG22 THR 21 10.148 -0.104 -4.695 146 HG23 THR 21 HG23 THR 21 11.265 -0.115 -3.320 147 H LEU 22 H LEU 22 7.848 1.122 -5.041 148 HA LEU 22 HA LEU 22 7.033 -0.861 -7.034 149 HB2 LEU 22 HB1 LEU 22 4.942 -0.220 -5.964 150 HB3 LEU 22 HB2 LEU 22 5.268 1.487 -6.200 151 HG LEU 22 HG LEU 22 3.519 0.411 -7.637 152 HD11 LEU 22 HD11 LEU 22 4.001 1.638 -9.646 153 HD12 LEU 22 HD12 LEU 22 5.713 1.772 -9.228 154 HD13 LEU 22 HD13 LEU 22 4.488 2.572 -8.224 155 HD21 LEU 22 HD21 LEU 22 4.116 -0.905 -9.576 156 HD22 LEU 22 HD22 LEU 22 4.698 -1.715 -8.110 157 HD23 LEU 22 HD23 LEU 22 5.836 -0.843 -9.162 158 H GLU 23 H GLU 23 7.714 -0.165 -9.140 159 HA GLU 23 HA GLU 23 8.690 2.570 -9.424 160 HB2 GLU 23 HB1 GLU 23 10.896 1.861 -10.249 161 HB3 GLU 23 HB2 GLU 23 10.627 1.568 -8.513 162 HG2 GLU 23 HG1 GLU 23 10.147 -0.852 -9.106 163 HG3 GLU 23 HG2 GLU 23 10.664 -0.486 -10.767 164 H ASN 24 H ASN 24 8.354 3.341 -11.310 165 HA ASN 24 HA ASN 24 7.186 1.674 -13.458 166 HB2 ASN 24 HB1 ASN 24 6.015 3.691 -12.762 167 HB3 ASN 24 HB2 ASN 24 7.447 4.684 -13.050 168 HD21 ASN 24 HD21 ASN 24 6.098 5.972 -14.471 169 HD22 ASN 24 HD22 ASN 24 5.806 5.398 -16.116 170 HA PRO 25 HA PRO 25 11.329 2.135 -15.360 171 HB2 PRO 25 HB1 PRO 25 11.281 -0.005 -17.042 172 HB3 PRO 25 HB2 PRO 25 11.458 -0.220 -15.273 173 HG2 PRO 25 HG1 PRO 25 8.894 -0.359 -16.898 174 HG3 PRO 25 HG2 PRO 25 9.521 -1.586 -15.741 175 HD2 PRO 25 HD1 PRO 25 7.690 0.294 -14.994 176 HD3 PRO 25 HD2 PRO 25 8.997 -0.222 -13.891 177 H GLY 26 H GLY 26 8.180 2.524 -16.697 178 HA2 GLY 26 HA3 GLY 26 8.910 2.663 -19.486 179 HA3 GLY 26 HA2 GLY 26 7.355 3.104 -18.745 180 H ASP 27 H ASP 27 8.221 4.535 -20.796 181 HA ASP 27 HA ASP 27 9.280 7.120 -19.799 182 HB2 ASP 27 HB1 ASP 27 8.905 5.961 -22.575 183 HB3 ASP 27 HB2 ASP 27 9.503 7.604 -22.234 184 H LEU 28 H LEU 28 6.379 5.769 -19.859 185 HA LEU 28 HA LEU 28 5.004 8.383 -19.976 186 HB2 LEU 28 HB1 LEU 28 2.949 7.277 -20.644 187 HB3 LEU 28 HB2 LEU 28 4.259 7.040 -21.832 188 HG LEU 28 HG LEU 28 4.546 4.698 -20.819 189 HD11 LEU 28 HD11 LEU 28 1.873 5.458 -19.550 190 HD12 LEU 28 HD12 LEU 28 3.315 4.825 -18.729 191 HD13 LEU 28 HD13 LEU 28 2.400 3.776 -19.797 192 HD21 LEU 28 HD21 LEU 28 3.478 5.150 -22.997 193 HD22 LEU 28 HD22 LEU 28 1.918 5.421 -22.187 194 HD23 LEU 28 HD23 LEU 28 2.675 3.811 -22.166 195 HA PRO 29 HA PRO 29 4.357 7.616 -15.746 196 HB2 PRO 29 HB1 PRO 29 2.052 8.860 -15.035 197 HB3 PRO 29 HB2 PRO 29 3.444 9.746 -15.719 198 HG2 PRO 29 HG1 PRO 29 0.970 8.775 -17.153 199 HG3 PRO 29 HG2 PRO 29 1.756 10.388 -17.262 200 HD2 PRO 29 HD1 PRO 29 2.164 8.339 -19.082 201 HD3 PRO 29 HD2 PRO 29 3.402 9.563 -18.725 202 H LEU 30 H LEU 30 3.125 6.515 -13.995 203 HA LEU 30 HA LEU 30 1.042 4.549 -14.878 204 HB2 LEU 30 HB1 LEU 30 2.912 4.346 -12.526 205 HB3 LEU 30 HB2 LEU 30 1.557 3.250 -12.869 206 HG LEU 30 HG LEU 30 4.013 3.691 -14.496 207 HD11 LEU 30 HD11 LEU 30 2.948 1.242 -13.053 208 HD12 LEU 30 HD12 LEU 30 4.214 2.308 -12.414 209 HD13 LEU 30 HD13 LEU 30 4.526 1.346 -13.876 210 HD21 LEU 30 HD21 LEU 30 2.333 3.253 -16.140 211 HD22 LEU 30 HD22 LEU 30 1.715 1.863 -15.200 212 HD23 LEU 30 HD23 LEU 30 3.338 1.821 -15.945 213 H ARG 31 H ARG 31 -0.663 4.254 -13.538 214 HA ARG 31 HA ARG 31 -1.171 6.105 -11.273 215 HB2 ARG 31 HB1 ARG 31 -2.075 7.233 -13.228 216 HB3 ARG 31 HB2 ARG 31 -2.985 5.770 -13.682 217 HG2 ARG 31 HG1 ARG 31 -4.455 5.988 -11.826 218 HG3 ARG 31 HG2 ARG 31 -3.409 7.174 -11.014 219 HD2 ARG 31 HD1 ARG 31 -5.517 8.079 -12.136 220 HD3 ARG 31 HD2 ARG 31 -3.985 8.886 -12.493 221 HE ARG 31 HE ARG 31 -5.406 6.967 -14.306 222 HH11 ARG 31 HH12 ARG 31 -3.116 9.723 -13.989 223 HH12 ARG 31 HH11 ARG 31 -2.936 9.860 -15.678 224 HH21 ARG 31 HH22 ARG 31 -5.023 7.175 -16.494 225 HH22 ARG 31 HH21 ARG 31 -4.060 8.506 -17.085 226 H LEU 32 H LEU 32 -1.698 4.999 -9.638 227 HA LEU 32 HA LEU 32 -2.743 2.230 -9.723 228 HB2 LEU 32 HB1 LEU 32 -0.610 2.646 -8.669 229 HB3 LEU 32 HB2 LEU 32 -1.266 3.991 -7.716 230 HG LEU 32 HG LEU 32 -2.625 2.378 -6.402 231 HD11 LEU 32 HD11 LEU 32 -1.296 0.401 -8.284 232 HD12 LEU 32 HD12 LEU 32 -3.020 0.601 -7.943 233 HD13 LEU 32 HD13 LEU 32 -1.968 -0.093 -6.707 234 HD21 LEU 32 HD21 LEU 32 -0.654 1.340 -5.236 235 HD22 LEU 32 HD22 LEU 32 -0.425 3.058 -5.595 236 HD23 LEU 32 HD23 LEU 32 0.374 1.828 -6.595 237 H VAL 33 H VAL 33 -4.855 1.972 -9.316 238 HA VAL 33 HA VAL 33 -6.380 4.113 -7.861 239 HB VAL 33 HB VAL 33 -8.341 3.502 -9.181 240 HG11 VAL 33 HG11 VAL 33 -7.734 4.627 -11.167 241 HG12 VAL 33 HG12 VAL 33 -6.677 5.273 -9.925 242 HG13 VAL 33 HG13 VAL 33 -6.029 4.094 -11.066 243 HG21 VAL 33 HG21 VAL 33 -8.231 2.096 -11.166 244 HG22 VAL 33 HG22 VAL 33 -6.530 1.721 -10.873 245 HG23 VAL 33 HG23 VAL 33 -7.781 1.124 -9.759 246 H GLY 34 H GLY 34 -5.640 0.685 -7.837 247 HA2 GLY 34 HA3 GLY 34 -6.965 0.449 -5.287 248 HA3 GLY 34 HA2 GLY 34 -7.751 -0.511 -6.560 249 H ALA 35 H ALA 35 -7.137 -2.315 -5.183 250 HA ALA 35 HA ALA 35 -4.663 -3.494 -6.068 251 HB1 ALA 35 HB1 ALA 35 -4.188 -3.998 -3.451 252 HB2 ALA 35 HB2 ALA 35 -3.656 -2.462 -4.173 253 HB3 ALA 35 HB3 ALA 35 -5.142 -2.550 -3.206 254 H ARG 36 H ARG 36 -4.442 -5.839 -4.927 255 HA ARG 36 HA ARG 36 -6.963 -6.920 -3.887 256 HB2 ARG 36 HB1 ARG 36 -5.885 -7.593 -6.636 257 HB3 ARG 36 HB2 ARG 36 -6.620 -8.890 -5.675 258 HG2 ARG 36 HG1 ARG 36 -7.916 -6.424 -6.796 259 HG3 ARG 36 HG2 ARG 36 -8.233 -8.133 -7.156 260 HD2 ARG 36 HD1 ARG 36 -9.030 -6.484 -4.738 261 HD3 ARG 36 HD2 ARG 36 -10.076 -7.398 -5.836 262 HE ARG 36 HE ARG 36 -8.634 -9.396 -4.739 263 HH11 ARG 36 HH12 ARG 36 -10.484 -6.808 -3.202 264 HH12 ARG 36 HH11 ARG 36 -10.547 -7.628 -1.662 265 HH21 ARG 36 HH22 ARG 36 -8.505 -10.274 -2.586 266 HH22 ARG 36 HH21 ARG 36 -9.439 -9.517 -1.339 267 H THR 37 H THR 37 -6.545 -8.807 -2.700 268 HA THR 37 HA THR 37 -3.877 -10.068 -2.966 269 HB THR 37 HB THR 37 -3.465 -8.463 -1.260 270 HG1 THR 37 HG1 THR 37 -2.559 -10.267 -0.770 271 HG21 THR 37 HG21 THR 37 -6.005 -9.446 0.106 272 HG22 THR 37 HG22 THR 37 -5.649 -7.803 -0.469 273 HG23 THR 37 HG23 THR 37 -4.747 -8.468 0.894 274 HA PRO 38 HA PRO 38 -6.560 -13.662 -1.870 275 HB2 PRO 38 HB1 PRO 38 -4.711 -15.322 -0.685 276 HB3 PRO 38 HB2 PRO 38 -4.909 -15.100 -2.453 277 HG2 PRO 38 HG1 PRO 38 -2.898 -13.752 -0.656 278 HG3 PRO 38 HG2 PRO 38 -2.601 -14.597 -2.221 279 HD2 PRO 38 HD1 PRO 38 -2.894 -11.904 -2.123 280 HD3 PRO 38 HD2 PRO 38 -3.621 -12.851 -3.453 281 H VAL 39 H VAL 39 -4.467 -11.916 0.401 282 HA VAL 39 HA VAL 39 -5.607 -13.403 2.658 283 HB VAL 39 HB VAL 39 -3.953 -12.547 4.053 284 HG11 VAL 39 HG11 VAL 39 -1.932 -13.124 2.957 285 HG12 VAL 39 HG12 VAL 39 -3.201 -14.064 2.166 286 HG13 VAL 39 HG13 VAL 39 -2.543 -12.620 1.369 287 HG21 VAL 39 HG21 VAL 39 -3.555 -10.247 2.116 288 HG22 VAL 39 HG22 VAL 39 -4.044 -10.170 3.809 289 HG23 VAL 39 HG23 VAL 39 -2.400 -10.655 3.390 290 H ALA 40 H ALA 40 -7.070 -10.914 1.192 291 HA ALA 40 HA ALA 40 -8.520 -10.209 3.637 292 HB1 ALA 40 HB1 ALA 40 -7.097 -8.018 2.090 293 HB2 ALA 40 HB2 ALA 40 -8.123 -7.824 3.526 294 HB3 ALA 40 HB3 ALA 40 -6.568 -8.668 3.662 295 H GLU 41 H GLU 41 -10.433 -9.168 3.375 296 HA GLU 41 HA GLU 41 -11.866 -9.731 0.907 297 HB2 GLU 41 HB1 GLU 41 -12.564 -10.199 3.303 298 HB3 GLU 41 HB2 GLU 41 -12.855 -8.474 3.509 299 HG2 GLU 41 HG1 GLU 41 -14.963 -9.418 3.016 300 HG3 GLU 41 HG2 GLU 41 -14.467 -8.674 1.495 301 H ARG 42 H ARG 42 -12.364 -6.809 2.861 302 HA ARG 42 HA ARG 42 -12.578 -5.099 0.488 303 HB2 ARG 42 HB1 ARG 42 -14.211 -4.787 2.159 304 HB3 ARG 42 HB2 ARG 42 -13.018 -4.781 3.470 305 HG2 ARG 42 HG1 ARG 42 -12.194 -2.596 2.746 306 HG3 ARG 42 HG2 ARG 42 -13.296 -2.598 1.354 307 HD2 ARG 42 HD1 ARG 42 -15.230 -2.443 2.767 308 HD3 ARG 42 HD2 ARG 42 -14.279 -2.848 4.225 309 HE ARG 42 HE ARG 42 -13.050 -0.658 3.772 310 HH11 ARG 42 HH12 ARG 42 -16.495 -0.857 2.931 311 HH12 ARG 42 HH11 ARG 42 -16.678 0.859 3.162 312 HH21 ARG 42 HH22 ARG 42 -13.334 1.377 3.994 313 HH22 ARG 42 HH21 ARG 42 -14.872 2.161 3.748 314 H VAL 43 H VAL 43 -10.832 -4.268 -0.383 315 HA VAL 43 HA VAL 43 -8.470 -3.491 1.256 316 HB VAL 43 HB VAL 43 -7.840 -5.196 -0.265 317 HG11 VAL 43 HG11 VAL 43 -9.676 -4.931 -1.967 318 HG12 VAL 43 HG12 VAL 43 -8.790 -3.547 -2.636 319 HG13 VAL 43 HG13 VAL 43 -8.062 -5.169 -2.633 320 HG21 VAL 43 HG21 VAL 43 -6.844 -2.574 -1.450 321 HG22 VAL 43 HG22 VAL 43 -6.262 -3.270 0.071 322 HG23 VAL 43 HG23 VAL 43 -6.024 -4.149 -1.450 323 H GLU 44 H GLU 44 -7.891 -1.388 1.286 324 HA GLU 44 HA GLU 44 -9.194 0.590 -0.561 325 HB2 GLU 44 HB1 GLU 44 -8.739 0.779 2.444 326 HB3 GLU 44 HB2 GLU 44 -9.332 2.093 1.400 327 HG2 GLU 44 HG1 GLU 44 -11.363 0.815 0.915 328 HG3 GLU 44 HG2 GLU 44 -10.777 -0.536 1.908 329 H LEU 45 H LEU 45 -7.778 2.208 -1.313 330 HA LEU 45 HA LEU 45 -4.949 2.165 -0.517 331 HB2 LEU 45 HB1 LEU 45 -5.791 2.322 -2.883 332 HB3 LEU 45 HB2 LEU 45 -6.580 3.861 -2.464 333 HG LEU 45 HG LEU 45 -4.168 4.650 -1.848 334 HD11 LEU 45 HD11 LEU 45 -3.368 2.513 -3.744 335 HD12 LEU 45 HD12 LEU 45 -3.142 2.394 -1.958 336 HD13 LEU 45 HD13 LEU 45 -2.329 3.658 -2.897 337 HD21 LEU 45 HD21 LEU 45 -5.459 5.433 -3.814 338 HD22 LEU 45 HD22 LEU 45 -4.961 3.958 -4.693 339 HD23 LEU 45 HD23 LEU 45 -3.752 5.200 -4.248 340 H HIS 46 H HIS 46 -4.479 3.207 1.401 341 HA HIS 46 HA HIS 46 -5.863 5.773 2.009 342 HB2 HIS 46 HB1 HIS 46 -4.814 3.578 3.782 343 HB3 HIS 46 HB2 HIS 46 -5.060 5.224 4.403 344 HD2 HIS 46 HD2 HIS 46 -7.874 3.890 2.134 345 HE1 HIS 46 HE1 HIS 46 -9.252 3.637 6.126 346 HE2 HIS 46 HE2 HIS 46 -9.890 3.269 3.688 347 H GLU 47 H GLU 47 -4.756 7.378 3.058 348 HA GLU 47 HA GLU 47 -1.796 7.597 2.629 349 HB2 GLU 47 HB1 GLU 47 -2.104 10.015 2.647 350 HB3 GLU 47 HB2 GLU 47 -3.027 9.265 1.330 351 HG2 GLU 47 HG1 GLU 47 -5.097 9.570 2.486 352 HG3 GLU 47 HG2 GLU 47 -4.290 9.998 4.010 353 H THR 48 H THR 48 -0.651 8.901 4.294 354 HA THR 48 HA THR 48 -1.998 9.091 6.956 355 HB THR 48 HB THR 48 0.897 8.282 6.533 356 HG1 THR 48 HG1 THR 48 0.363 6.303 7.110 357 HG21 THR 48 HG21 THR 48 -0.872 8.534 9.001 358 HG22 THR 48 HG22 THR 48 0.592 9.461 8.628 359 HG23 THR 48 HG23 THR 48 0.720 7.734 8.998 360 H PHE 49 H PHE 49 -2.160 11.209 7.297 361 HA PHE 49 HA PHE 49 -0.083 13.058 6.214 362 HB2 PHE 49 HB1 PHE 49 -1.820 14.716 6.029 363 HB3 PHE 49 HB2 PHE 49 -2.274 13.254 5.153 364 HD1 PHE 49 HD2 PHE 49 -2.991 15.388 8.096 365 HD2 PHE 49 HD1 PHE 49 -4.218 11.919 5.874 366 HE1 PHE 49 HE2 PHE 49 -5.113 15.340 9.367 367 HE2 PHE 49 HE1 PHE 49 -6.337 11.863 7.152 368 HZ PHE 49 HZ PHE 49 -6.790 13.563 8.890 369 H MET 50 H MET 50 0.442 14.925 7.334 370 HA MET 50 HA MET 50 -0.096 14.996 10.273 371 HB2 MET 50 HB1 MET 50 1.842 16.326 10.575 372 HB3 MET 50 HB2 MET 50 2.296 14.895 9.616 373 HG2 MET 50 HG1 MET 50 3.434 16.551 8.513 374 HG3 MET 50 HG2 MET 50 1.952 16.506 7.565 375 HE1 MET 50 HE1 MET 50 3.637 18.866 6.985 376 HE2 MET 50 HE2 MET 50 1.943 18.715 6.452 377 HE3 MET 50 HE3 MET 50 2.511 20.226 7.191 378 H ARG 51 H ARG 51 -0.566 17.096 11.199 379 HA ARG 51 HA ARG 51 -1.818 19.195 9.600 380 HB2 ARG 51 HB1 ARG 51 -3.373 17.402 9.249 381 HB3 ARG 51 HB2 ARG 51 -3.434 16.988 10.956 382 HG2 ARG 51 HG1 ARG 51 -4.280 19.761 10.196 383 HG3 ARG 51 HG2 ARG 51 -5.330 18.414 9.665 384 HD2 ARG 51 HD1 ARG 51 -5.732 17.698 11.896 385 HD3 ARG 51 HD2 ARG 51 -4.425 18.739 12.536 386 HE ARG 51 HE ARG 51 -5.698 20.653 12.161 387 HH11 ARG 51 HH12 ARG 51 -7.752 17.791 11.705 388 HH12 ARG 51 HH11 ARG 51 -9.208 18.720 11.911 389 HH21 ARG 51 HH22 ARG 51 -7.530 21.726 12.437 390 HH22 ARG 51 HH21 ARG 51 -9.094 20.965 12.282 391 H GLU 52 H GLU 52 -2.386 21.006 10.841 392 HA GLU 52 HA GLU 52 -1.644 20.947 13.706 393 HB2 GLU 52 HB1 GLU 52 -0.970 22.715 11.651 394 HB3 GLU 52 HB2 GLU 52 -2.180 23.607 12.614 395 HG2 GLU 52 HG1 GLU 52 -0.003 24.092 13.474 396 HG3 GLU 52 HG2 GLU 52 -0.912 23.149 14.662 397 H VAL 53 H VAL 53 -3.022 21.552 15.328 398 HA VAL 53 HA VAL 53 -5.498 23.002 14.789 399 HB VAL 53 HB VAL 53 -6.141 20.665 14.477 400 HG11 VAL 53 HG11 VAL 53 -4.602 19.674 16.121 401 HG12 VAL 53 HG12 VAL 53 -5.611 20.338 17.426 402 HG13 VAL 53 HG13 VAL 53 -6.285 19.125 16.310 403 HG21 VAL 53 HG21 VAL 53 -7.774 22.377 15.161 404 HG22 VAL 53 HG22 VAL 53 -8.174 20.783 15.822 405 HG23 VAL 53 HG23 VAL 53 -7.443 22.018 16.870 406 H GLU 54 H GLU 54 -5.963 24.388 16.482 407 HA GLU 54 HA GLU 54 -5.601 25.632 18.352 408 HB2 GLU 54 HB1 GLU 54 -5.844 23.192 19.364 409 HB3 GLU 54 HB2 GLU 54 -4.134 23.422 19.765 410 HG2 GLU 54 HG1 GLU 54 -4.883 25.623 20.889 411 HG3 GLU 54 HG2 GLU 54 -6.541 25.010 20.729 412 H GLY 55 H GLY 55 -3.309 24.808 16.294 413 HA2 GLY 55 HA3 GLY 55 -1.201 25.672 15.787 414 HA3 GLY 55 HA2 GLY 55 -1.081 26.354 17.425 415 H LYS 56 H LYS 56 -2.084 23.170 17.768 416 HA LYS 56 HA LYS 56 0.625 22.083 18.220 417 HB2 LYS 56 HB1 LYS 56 -2.176 21.157 18.995 418 HB3 LYS 56 HB2 LYS 56 -0.664 20.405 19.513 419 HG2 LYS 56 HG1 LYS 56 -0.090 22.356 20.851 420 HG3 LYS 56 HG2 LYS 56 -1.486 23.262 20.207 421 HD2 LYS 56 HD1 LYS 56 -3.003 21.523 21.184 422 HD3 LYS 56 HD2 LYS 56 -1.606 20.784 21.976 423 HE2 LYS 56 HE1 LYS 56 -1.199 22.809 23.271 424 HE3 LYS 56 HE2 LYS 56 -2.382 23.717 22.261 425 HZ1 LYS 56 HZ1 LYS 56 -4.077 22.193 23.100 426 HZ2 LYS 56 HZ2 LYS 56 -3.571 23.257 24.111 427 HZ3 LYS 56 HZ3 LYS 56 -3.037 21.666 24.291 428 H LYS 57 H LYS 57 1.247 20.084 17.284 429 HA LYS 57 HA LYS 57 -0.065 19.476 14.750 430 HB2 LYS 57 HB1 LYS 57 2.044 17.636 15.204 431 HB3 LYS 57 HB2 LYS 57 1.882 18.951 14.020 432 HG2 LYS 57 HG1 LYS 57 2.811 20.472 15.893 433 HG3 LYS 57 HG2 LYS 57 3.237 18.972 16.743 434 HD2 LYS 57 HD1 LYS 57 5.132 19.943 15.477 435 HD3 LYS 57 HD2 LYS 57 4.715 18.307 14.928 436 HE2 LYS 57 HE1 LYS 57 5.289 19.927 13.090 437 HE3 LYS 57 HE2 LYS 57 3.686 19.164 12.926 438 HZ1 LYS 57 HZ1 LYS 57 4.115 21.912 13.968 439 HZ2 LYS 57 HZ2 LYS 57 2.688 21.185 13.777 440 HZ3 LYS 57 HZ3 LYS 57 3.535 21.512 12.462 441 H VAL 58 H VAL 58 -0.926 17.564 14.060 442 HA VAL 58 HA VAL 58 -1.075 15.189 15.784 443 HB VAL 58 HB VAL 58 -3.001 16.561 16.505 444 HG11 VAL 58 HG11 VAL 58 -4.008 16.350 13.637 445 HG12 VAL 58 HG12 VAL 58 -4.922 16.971 15.022 446 HG13 VAL 58 HG13 VAL 58 -3.483 17.831 14.470 447 HG21 VAL 58 HG21 VAL 58 -4.700 14.875 16.398 448 HG22 VAL 58 HG22 VAL 58 -3.983 14.142 14.954 449 HG23 VAL 58 HG23 VAL 58 -3.127 14.061 16.512 450 H MET 59 H MET 59 -1.780 13.277 14.565 451 HA MET 59 HA MET 59 -1.456 13.570 11.606 452 HB2 MET 59 HB1 MET 59 -0.414 11.464 13.483 453 HB3 MET 59 HB2 MET 59 -0.637 11.143 11.742 454 HG2 MET 59 HG1 MET 59 0.890 12.785 11.095 455 HG3 MET 59 HG2 MET 59 0.873 13.595 12.664 456 HE1 MET 59 HE1 MET 59 1.309 11.292 14.791 457 HE2 MET 59 HE2 MET 59 3.055 11.572 14.954 458 HE3 MET 59 HE3 MET 59 1.945 12.945 14.688 459 H GLY 60 H GLY 60 -2.633 12.084 10.272 460 HA2 GLY 60 HA3 GLY 60 -4.649 10.354 11.448 461 HA3 GLY 60 HA2 GLY 60 -5.334 11.757 10.597 462 H MET 61 H MET 61 -6.119 9.494 9.577 463 HA MET 61 HA MET 61 -4.557 9.105 7.059 464 HB2 MET 61 HB1 MET 61 -6.140 7.056 8.658 465 HB3 MET 61 HB2 MET 61 -5.504 6.795 7.007 466 HG2 MET 61 HG1 MET 61 -4.008 5.712 8.392 467 HG3 MET 61 HG2 MET 61 -3.195 7.201 7.933 468 HE1 MET 61 HE1 MET 61 -2.430 5.083 10.347 469 HE2 MET 61 HE2 MET 61 -1.472 6.418 9.678 470 HE3 MET 61 HE3 MET 61 -1.746 6.317 11.434 471 H ARG 62 H ARG 62 -5.866 8.622 5.191 472 HA ARG 62 HA ARG 62 -8.783 8.572 5.451 473 HB2 ARG 62 HB1 ARG 62 -7.609 10.199 3.188 474 HB3 ARG 62 HB2 ARG 62 -9.317 10.018 3.646 475 HG2 ARG 62 HG1 ARG 62 -9.200 12.024 4.583 476 HG3 ARG 62 HG2 ARG 62 -8.099 11.396 5.805 477 HD2 ARG 62 HD1 ARG 62 -6.181 11.819 4.272 478 HD3 ARG 62 HD2 ARG 62 -7.308 12.426 3.041 479 HE ARG 62 HE ARG 62 -7.503 13.888 5.526 480 HH11 ARG 62 HH12 ARG 62 -5.411 13.511 2.680 481 HH12 ARG 62 HH11 ARG 62 -4.702 15.058 2.852 482 HH21 ARG 62 HH22 ARG 62 -6.356 15.843 5.804 483 HH22 ARG 62 HH21 ARG 62 -5.248 16.370 4.563 484 HA PRO 63 HA PRO 63 -7.825 5.965 1.736 485 HB2 PRO 63 HB1 PRO 63 -10.282 5.988 0.497 486 HB3 PRO 63 HB2 PRO 63 -9.795 4.776 1.694 487 HG2 PRO 63 HG1 PRO 63 -11.483 7.197 2.065 488 HG3 PRO 63 HG2 PRO 63 -11.620 5.612 2.885 489 HD2 PRO 63 HD1 PRO 63 -10.529 7.919 4.017 490 HD3 PRO 63 HD2 PRO 63 -10.080 6.264 4.518 491 H VAL 64 H VAL 64 -7.237 6.582 -0.234 492 HA VAL 64 HA VAL 64 -7.649 9.441 -1.042 493 HB VAL 64 HB VAL 64 -5.517 8.689 -2.552 494 HG11 VAL 64 HG11 VAL 64 -5.667 10.722 -1.255 495 HG12 VAL 64 HG12 VAL 64 -5.393 9.815 0.248 496 HG13 VAL 64 HG13 VAL 64 -4.107 9.931 -0.979 497 HG21 VAL 64 HG21 VAL 64 -3.853 7.488 -1.241 498 HG22 VAL 64 HG22 VAL 64 -5.007 7.240 0.073 499 HG23 VAL 64 HG23 VAL 64 -5.285 6.485 -1.517 500 HA PRO 65 HA PRO 65 -9.749 8.017 -4.559 501 HB2 PRO 65 HB1 PRO 65 -9.232 9.862 -6.510 502 HB3 PRO 65 HB2 PRO 65 -10.189 10.231 -5.044 503 HG2 PRO 65 HG1 PRO 65 -7.241 10.755 -5.519 504 HG3 PRO 65 HG2 PRO 65 -8.482 11.900 -4.892 505 HD2 PRO 65 HD1 PRO 65 -6.831 10.526 -3.216 506 HD3 PRO 65 HD2 PRO 65 -8.542 10.810 -2.790 507 H PHE 66 H PHE 66 -6.202 8.502 -5.079 508 HA PHE 66 HA PHE 66 -5.539 6.211 -6.300 509 HB2 PHE 66 HB1 PHE 66 -5.333 6.601 -8.648 510 HB3 PHE 66 HB2 PHE 66 -7.016 6.543 -8.210 511 HD1 PHE 66 HD2 PHE 66 -4.196 8.710 -9.284 512 HD2 PHE 66 HD1 PHE 66 -8.455 8.482 -8.658 513 HE1 PHE 66 HE2 PHE 66 -4.485 10.803 -10.560 514 HE2 PHE 66 HE1 PHE 66 -8.750 10.580 -9.950 515 HZ PHE 66 HZ PHE 66 -6.765 11.747 -10.909 516 H LEU 67 H LEU 67 -3.454 6.281 -7.034 517 HA LEU 67 HA LEU 67 -1.946 8.828 -6.511 518 HB2 LEU 67 HB1 LEU 67 -1.545 6.004 -5.501 519 HB3 LEU 67 HB2 LEU 67 -0.123 7.045 -5.771 520 HG LEU 67 HG LEU 67 -0.681 8.492 -4.081 521 HD11 LEU 67 HD11 LEU 67 -2.680 8.704 -2.810 522 HD12 LEU 67 HD12 LEU 67 -3.516 7.630 -3.964 523 HD13 LEU 67 HD13 LEU 67 -2.772 9.184 -4.502 524 HD21 LEU 67 HD21 LEU 67 -1.135 7.025 -2.093 525 HD22 LEU 67 HD22 LEU 67 0.037 6.298 -3.207 526 HD23 LEU 67 HD23 LEU 67 -1.654 5.749 -3.183 527 H GLU 68 H GLU 68 -0.251 9.207 -7.780 528 HA GLU 68 HA GLU 68 0.255 7.313 -9.987 529 HB2 GLU 68 HB1 GLU 68 -0.831 8.225 -11.560 530 HB3 GLU 68 HB2 GLU 68 -1.682 9.204 -10.380 531 HG2 GLU 68 HG1 GLU 68 -0.314 11.109 -10.877 532 HG3 GLU 68 HG2 GLU 68 0.880 10.121 -11.742 533 H VAL 69 H VAL 69 1.866 7.791 -11.445 534 HA VAL 69 HA VAL 69 4.208 8.766 -9.916 535 HB VAL 69 HB VAL 69 3.895 6.007 -11.211 536 HG11 VAL 69 HG11 VAL 69 6.067 7.093 -9.380 537 HG12 VAL 69 HG12 VAL 69 5.924 5.401 -9.902 538 HG13 VAL 69 HG13 VAL 69 6.239 6.662 -11.090 539 HG21 VAL 69 HG21 VAL 69 3.797 5.034 -8.956 540 HG22 VAL 69 HG22 VAL 69 3.687 6.670 -8.255 541 HG23 VAL 69 HG23 VAL 69 2.394 6.034 -9.299 542 HA PRO 70 HA PRO 70 5.299 10.001 -14.061 543 HB2 PRO 70 HB1 PRO 70 7.873 10.854 -13.731 544 HB3 PRO 70 HB2 PRO 70 6.455 11.752 -13.112 545 HG2 PRO 70 HG1 PRO 70 8.229 9.797 -11.607 546 HG3 PRO 70 HG2 PRO 70 7.732 11.451 -11.096 547 HD2 PRO 70 HD1 PRO 70 6.418 9.222 -10.228 548 HD3 PRO 70 HD2 PRO 70 5.531 10.726 -10.612 549 HA PRO 71 HA PRO 71 7.747 6.719 -16.021 550 HB2 PRO 71 HB1 PRO 71 9.319 8.311 -17.715 551 HB3 PRO 71 HB2 PRO 71 7.745 7.519 -18.040 552 HG2 PRO 71 HG1 PRO 71 8.307 10.366 -17.484 553 HG3 PRO 71 HG2 PRO 71 6.901 9.613 -18.344 554 HD2 PRO 71 HD1 PRO 71 6.864 10.636 -15.747 555 HD3 PRO 71 HD2 PRO 71 5.687 9.494 -16.427 556 H LYS 72 H LYS 72 9.648 5.680 -15.643 557 HA LYS 72 HA LYS 72 11.551 5.103 -14.581 558 HB2 LYS 72 HB1 LYS 72 12.319 8.026 -14.625 559 HB3 LYS 72 HB2 LYS 72 13.408 6.646 -14.401 560 HG2 LYS 72 HG1 LYS 72 11.738 7.081 -16.909 561 HG3 LYS 72 HG2 LYS 72 13.393 7.699 -16.682 562 HD2 LYS 72 HD1 LYS 72 14.273 5.451 -16.516 563 HD3 LYS 72 HD2 LYS 72 12.657 4.736 -16.505 564 HE2 LYS 72 HE1 LYS 72 13.555 6.465 -18.824 565 HE3 LYS 72 HE2 LYS 72 14.056 4.762 -18.738 566 HZ1 LYS 72 HZ1 LYS 72 11.230 5.637 -18.635 567 HZ2 LYS 72 HZ2 LYS 72 11.773 4.100 -18.790 568 HZ3 LYS 72 HZ3 LYS 72 11.976 5.192 -20.007 569 H GLY 73 H GLY 73 9.226 6.776 -13.113 570 HA2 GLY 73 HA3 GLY 73 10.304 7.620 -10.643 571 HA3 GLY 73 HA2 GLY 73 8.582 7.404 -11.027 572 H ARG 74 H ARG 74 11.118 6.473 -9.262 573 HA ARG 74 HA ARG 74 10.013 3.957 -8.211 574 HB2 ARG 74 HB1 ARG 74 12.437 4.265 -8.206 575 HB3 ARG 74 HB2 ARG 74 12.251 5.799 -7.307 576 HG2 ARG 74 HG1 ARG 74 13.067 4.396 -5.716 577 HG3 ARG 74 HG2 ARG 74 11.354 4.327 -5.366 578 HD2 ARG 74 HD1 ARG 74 11.183 2.118 -6.349 579 HD3 ARG 74 HD2 ARG 74 12.795 2.283 -7.094 580 HE ARG 74 HE ARG 74 12.859 2.535 -4.205 581 HH11 ARG 74 HH12 ARG 74 12.764 0.025 -6.726 582 HH12 ARG 74 HH11 ARG 74 13.123 -1.198 -5.508 583 HH21 ARG 74 HH22 ARG 74 13.810 0.901 -2.928 584 HH22 ARG 74 HH21 ARG 74 14.101 -0.660 -3.694 585 H VAL 75 H VAL 75 8.636 3.818 -6.569 586 HA VAL 75 HA VAL 75 8.220 6.034 -4.639 587 HB VAL 75 HB VAL 75 5.738 5.855 -4.810 588 HG11 VAL 75 HG11 VAL 75 6.929 7.766 -5.797 589 HG12 VAL 75 HG12 VAL 75 7.047 6.900 -7.343 590 HG13 VAL 75 HG13 VAL 75 5.460 7.358 -6.697 591 HG21 VAL 75 HG21 VAL 75 5.626 3.680 -6.008 592 HG22 VAL 75 HG22 VAL 75 4.676 4.938 -6.791 593 HG23 VAL 75 HG23 VAL 75 6.251 4.460 -7.478 594 H GLU 76 H GLU 76 6.688 5.303 -2.822 595 HA GLU 76 HA GLU 76 6.791 2.457 -2.208 596 HB2 GLU 76 HB1 GLU 76 9.107 3.324 -2.112 597 HB3 GLU 76 HB2 GLU 76 8.620 4.522 -0.913 598 HG2 GLU 76 HG1 GLU 76 8.210 2.810 0.729 599 HG3 GLU 76 HG2 GLU 76 8.275 1.536 -0.512 600 H LEU 77 H LEU 77 5.003 2.101 -1.142 601 HA LEU 77 HA LEU 77 3.479 4.102 0.330 602 HB2 LEU 77 HB1 LEU 77 3.139 1.171 -0.351 603 HB3 LEU 77 HB2 LEU 77 2.052 2.016 0.789 604 HG LEU 77 HG LEU 77 1.586 3.676 -1.087 605 HD11 LEU 77 HD11 LEU 77 3.356 3.220 -2.680 606 HD12 LEU 77 HD12 LEU 77 1.818 2.765 -3.410 607 HD13 LEU 77 HD13 LEU 77 2.895 1.506 -2.769 608 HD21 LEU 77 HD21 LEU 77 -0.105 2.184 -2.091 609 HD22 LEU 77 HD22 LEU 77 -0.024 2.022 -0.335 610 HD23 LEU 77 HD23 LEU 77 0.722 0.780 -1.374 611 H LYS 78 H LYS 78 5.302 4.568 1.676 612 HA LYS 78 HA LYS 78 5.912 2.810 3.911 613 HB2 LYS 78 HB1 LYS 78 7.201 4.870 4.672 614 HB3 LYS 78 HB2 LYS 78 7.663 4.087 3.146 615 HG2 LYS 78 HG1 LYS 78 6.266 5.952 1.993 616 HG3 LYS 78 HG2 LYS 78 6.224 6.753 3.569 617 HD2 LYS 78 HD1 LYS 78 8.107 7.680 2.353 618 HD3 LYS 78 HD2 LYS 78 8.775 6.597 3.589 619 HE2 LYS 78 HE1 LYS 78 8.477 4.821 1.569 620 HE3 LYS 78 HE2 LYS 78 8.613 6.266 0.575 621 HZ1 LYS 78 HZ1 LYS 78 10.601 5.513 2.653 622 HZ2 LYS 78 HZ2 LYS 78 10.821 6.573 1.391 623 HZ3 LYS 78 HZ3 LYS 78 10.685 4.939 1.148 624 HA PRO 79 HA PRO 79 2.701 3.433 6.622 625 HB2 PRO 79 HB1 PRO 79 3.893 3.781 9.146 626 HB3 PRO 79 HB2 PRO 79 3.612 2.231 8.311 627 HG2 PRO 79 HG1 PRO 79 6.120 3.903 8.354 628 HG3 PRO 79 HG2 PRO 79 5.963 2.116 8.509 629 HD2 PRO 79 HD1 PRO 79 6.683 3.224 6.156 630 HD3 PRO 79 HD2 PRO 79 5.496 1.885 6.183 631 H GLY 80 H GLY 80 5.142 5.930 7.595 632 HA2 GLY 80 HA3 GLY 80 3.027 8.017 7.596 633 HA3 GLY 80 HA2 GLY 80 4.750 8.250 7.968 634 H GLY 81 H GLY 81 2.357 8.307 5.555 635 HA2 GLY 81 HA3 GLY 81 3.351 9.247 3.253 636 HA3 GLY 81 HA2 GLY 81 4.006 7.594 3.269 637 H TYR 82 H TYR 82 2.639 5.858 2.904 638 HA TYR 82 HA TYR 82 -0.259 6.184 2.548 639 HB2 TYR 82 HB1 TYR 82 1.475 5.453 0.179 640 HB3 TYR 82 HB2 TYR 82 -0.284 5.582 0.193 641 HD1 TYR 82 HD1 TYR 82 2.910 7.399 0.108 642 HD2 TYR 82 HD2 TYR 82 -1.377 7.807 0.176 643 HE1 TYR 82 HE1 TYR 82 3.153 9.780 -0.460 644 HE2 TYR 82 HE2 TYR 82 -1.170 10.174 -0.539 645 HH TYR 82 HH TYR 82 2.016 11.757 -0.989 646 H HIS 83 H HIS 83 -1.339 4.069 2.148 647 HA HIS 83 HA HIS 83 0.202 1.609 2.148 648 HB2 HIS 83 HB1 HIS 83 -0.494 0.833 4.359 649 HB3 HIS 83 HB2 HIS 83 0.596 2.214 4.484 650 HD1 HIS 83 HD1 HIS 83 -0.726 4.641 5.177 651 HD2 HIS 83 HD2 HIS 83 -2.829 1.017 5.511 652 HE1 HIS 83 HE1 HIS 83 -2.727 5.117 6.645 653 H PHE 84 H PHE 84 -1.265 -0.315 2.160 654 HA PHE 84 HA PHE 84 -4.001 0.442 1.218 655 HB2 PHE 84 HB1 PHE 84 -2.308 -2.007 0.788 656 HB3 PHE 84 HB2 PHE 84 -4.073 -2.030 0.582 657 HD1 PHE 84 HD2 PHE 84 -5.114 -0.279 -1.129 658 HD2 PHE 84 HD1 PHE 84 -0.905 -1.254 -0.959 659 HE1 PHE 84 HE2 PHE 84 -4.861 0.407 -3.456 660 HE2 PHE 84 HE1 PHE 84 -0.645 -0.394 -3.276 661 HZ PHE 84 HZ PHE 84 -2.636 0.497 -4.487 662 H MET 85 H MET 85 -5.523 0.312 2.649 663 HA MET 85 HA MET 85 -5.266 -1.127 5.216 664 HB2 MET 85 HB1 MET 85 -7.029 0.943 4.046 665 HB3 MET 85 HB2 MET 85 -7.877 -0.250 5.059 666 HG2 MET 85 HG1 MET 85 -5.524 1.438 5.922 667 HG3 MET 85 HG2 MET 85 -7.235 1.682 6.355 668 HE1 MET 85 HE1 MET 85 -4.154 -0.730 8.495 669 HE2 MET 85 HE2 MET 85 -4.042 -0.416 6.746 670 HE3 MET 85 HE3 MET 85 -4.147 0.944 7.878 671 H LEU 86 H LEU 86 -5.764 -3.088 5.506 672 HA LEU 86 HA LEU 86 -7.440 -4.630 3.565 673 HB2 LEU 86 HB1 LEU 86 -5.327 -5.515 5.579 674 HB3 LEU 86 HB2 LEU 86 -6.176 -6.569 4.446 675 HG LEU 86 HG LEU 86 -4.094 -4.441 3.816 676 HD11 LEU 86 HD11 LEU 86 -2.798 -6.379 2.987 677 HD12 LEU 86 HD12 LEU 86 -4.113 -7.470 3.466 678 HD13 LEU 86 HD13 LEU 86 -3.213 -6.560 4.699 679 HD21 LEU 86 HD21 LEU 86 -5.686 -6.149 1.850 680 HD22 LEU 86 HD22 LEU 86 -4.270 -5.153 1.443 681 HD23 LEU 86 HD23 LEU 86 -5.754 -4.381 2.012 682 H LEU 87 H LEU 87 -9.484 -4.657 4.337 683 HA LEU 87 HA LEU 87 -9.992 -4.974 7.272 684 HB2 LEU 87 HB1 LEU 87 -11.562 -3.829 4.946 685 HB3 LEU 87 HB2 LEU 87 -12.335 -4.218 6.494 686 HG LEU 87 HG LEU 87 -11.926 -1.844 6.224 687 HD11 LEU 87 HD11 LEU 87 -10.144 -2.986 8.403 688 HD12 LEU 87 HD12 LEU 87 -11.911 -2.808 8.504 689 HD13 LEU 87 HD13 LEU 87 -10.869 -1.375 8.367 690 HD21 LEU 87 HD21 LEU 87 -8.933 -2.352 6.356 691 HD22 LEU 87 HD22 LEU 87 -9.786 -0.807 6.184 692 HD23 LEU 87 HD23 LEU 87 -9.822 -1.978 4.852 693 H GLY 88 H GLY 88 -10.622 -6.913 7.951 694 HA2 GLY 88 HA3 GLY 88 -11.751 -8.952 8.020 695 HA3 GLY 88 HA2 GLY 88 -12.387 -8.666 6.384 696 H LEU 89 H LEU 89 -9.638 -9.877 8.274 697 HA LEU 89 HA LEU 89 -8.045 -10.467 5.902 698 HB2 LEU 89 HB1 LEU 89 -7.616 -11.293 8.781 699 HB3 LEU 89 HB2 LEU 89 -6.444 -11.439 7.450 700 HG LEU 89 HG LEU 89 -7.446 -8.908 8.797 701 HD11 LEU 89 HD11 LEU 89 -4.642 -10.061 8.440 702 HD12 LEU 89 HD12 LEU 89 -5.625 -10.231 9.905 703 HD13 LEU 89 HD13 LEU 89 -5.094 -8.625 9.388 704 HD21 LEU 89 HD21 LEU 89 -7.302 -8.356 6.412 705 HD22 LEU 89 HD22 LEU 89 -5.699 -9.123 6.300 706 HD23 LEU 89 HD23 LEU 89 -5.931 -7.649 7.263 707 H LYS 90 H LYS 90 -8.188 -12.169 4.641 708 HA LYS 90 HA LYS 90 -9.786 -14.538 5.327 709 HB2 LYS 90 HB1 LYS 90 -7.968 -14.045 2.941 710 HB3 LYS 90 HB2 LYS 90 -9.174 -15.343 3.117 711 HG2 LYS 90 HG1 LYS 90 -10.928 -13.470 3.310 712 HG3 LYS 90 HG2 LYS 90 -9.623 -12.366 2.782 713 HD2 LYS 90 HD1 LYS 90 -9.345 -13.624 0.719 714 HD3 LYS 90 HD2 LYS 90 -10.551 -14.815 1.205 715 HE2 LYS 90 HE1 LYS 90 -11.202 -11.860 0.918 716 HE3 LYS 90 HE2 LYS 90 -11.244 -12.975 -0.470 717 HZ1 LYS 90 HZ1 LYS 90 -12.968 -13.102 1.943 718 HZ2 LYS 90 HZ2 LYS 90 -12.969 -14.243 0.732 719 HZ3 LYS 90 HZ3 LYS 90 -13.399 -12.659 0.512 720 H ARG 91 H ARG 91 -6.535 -13.602 5.860 721 HA ARG 91 HA ARG 91 -6.205 -15.947 7.431 722 HB2 ARG 91 HB1 ARG 91 -4.137 -16.831 6.564 723 HB3 ARG 91 HB2 ARG 91 -5.413 -16.926 5.339 724 HG2 ARG 91 HG1 ARG 91 -4.397 -14.782 4.351 725 HG3 ARG 91 HG2 ARG 91 -3.022 -15.053 5.439 726 HD2 ARG 91 HD1 ARG 91 -3.370 -17.549 4.264 727 HD3 ARG 91 HD2 ARG 91 -3.821 -16.453 2.940 728 HE ARG 91 HE ARG 91 -1.586 -15.671 2.841 729 HH11 ARG 91 HH12 ARG 91 -1.858 -17.881 5.648 730 HH12 ARG 91 HH11 ARG 91 -0.111 -17.959 5.758 731 HH21 ARG 91 HH22 ARG 91 0.668 -15.930 3.167 732 HH22 ARG 91 HH21 ARG 91 1.158 -17.029 4.457 733 HA PRO 92 HA PRO 92 -4.257 -12.771 9.789 734 HB2 PRO 92 HB1 PRO 92 -2.977 -14.192 11.747 735 HB3 PRO 92 HB2 PRO 92 -4.759 -14.078 11.640 736 HG2 PRO 92 HG1 PRO 92 -2.969 -16.302 10.622 737 HG3 PRO 92 HG2 PRO 92 -4.472 -16.448 11.604 738 HD2 PRO 92 HD1 PRO 92 -4.490 -16.752 8.894 739 HD3 PRO 92 HD2 PRO 92 -5.835 -15.936 9.747 740 H LEU 93 H LEU 93 -2.357 -11.580 9.851 741 HA LEU 93 HA LEU 93 -0.048 -12.668 8.344 742 HB2 LEU 93 HB1 LEU 93 -0.696 -9.902 9.401 743 HB3 LEU 93 HB2 LEU 93 0.817 -10.342 8.557 744 HG LEU 93 HG LEU 93 -0.032 -10.038 6.589 745 HD11 LEU 93 HD11 LEU 93 -2.045 -10.898 5.614 746 HD12 LEU 93 HD12 LEU 93 -2.681 -11.382 7.183 747 HD13 LEU 93 HD13 LEU 93 -1.246 -12.197 6.498 748 HD21 LEU 93 HD21 LEU 93 -2.484 -9.018 8.068 749 HD22 LEU 93 HD22 LEU 93 -2.025 -8.596 6.402 750 HD23 LEU 93 HD23 LEU 93 -0.994 -8.103 7.757 751 H LYS 94 H LYS 94 0.372 -14.280 9.881 752 HA LYS 94 HA LYS 94 1.485 -13.655 12.507 753 HB2 LYS 94 HB1 LYS 94 1.816 -16.035 10.647 754 HB3 LYS 94 HB2 LYS 94 2.497 -15.954 12.287 755 HG2 LYS 94 HG1 LYS 94 0.183 -15.768 13.185 756 HG3 LYS 94 HG2 LYS 94 -0.458 -15.998 11.551 757 HD2 LYS 94 HD1 LYS 94 1.525 -17.936 12.830 758 HD3 LYS 94 HD2 LYS 94 -0.252 -18.082 13.023 759 HE2 LYS 94 HE1 LYS 94 0.105 -19.509 11.253 760 HE3 LYS 94 HE2 LYS 94 -0.276 -17.992 10.406 761 HZ1 LYS 94 HZ1 LYS 94 1.503 -18.712 9.299 762 HZ2 LYS 94 HZ2 LYS 94 2.303 -19.389 10.585 763 HZ3 LYS 94 HZ3 LYS 94 2.279 -17.755 10.346 764 H ALA 95 H ALA 95 3.743 -14.180 13.016 765 HA ALA 95 HA ALA 95 5.722 -12.951 11.205 766 HB1 ALA 95 HB1 ALA 95 6.071 -14.594 13.770 767 HB2 ALA 95 HB2 ALA 95 7.344 -13.705 12.913 768 HB3 ALA 95 HB3 ALA 95 6.021 -12.812 13.683 769 H GLY 96 H GLY 96 6.899 -14.019 9.716 770 HA2 GLY 96 HA3 GLY 96 7.569 -15.735 8.316 771 HA3 GLY 96 HA2 GLY 96 7.036 -16.918 9.532 772 H GLU 97 H GLU 97 5.169 -14.340 7.733 773 HA GLU 97 HA GLU 97 3.890 -16.461 6.121 774 HB2 GLU 97 HB1 GLU 97 2.654 -14.003 7.435 775 HB3 GLU 97 HB2 GLU 97 1.865 -14.842 6.093 776 HG2 GLU 97 HG1 GLU 97 2.695 -16.239 8.646 777 HG3 GLU 97 HG2 GLU 97 1.119 -15.449 8.418 778 H GLU 98 H GLU 98 3.004 -15.524 4.168 779 HA GLU 98 HA GLU 98 4.282 -13.043 3.196 780 HB2 GLU 98 HB1 GLU 98 4.297 -15.648 1.637 781 HB3 GLU 98 HB2 GLU 98 4.774 -14.040 1.027 782 HG2 GLU 98 HG1 GLU 98 6.400 -14.130 3.146 783 HG3 GLU 98 HG2 GLU 98 6.205 -15.875 2.949 784 H VAL 99 H VAL 99 3.232 -11.990 1.617 785 HA VAL 99 HA VAL 99 0.350 -12.655 1.104 786 HB VAL 99 HB VAL 99 1.659 -10.009 1.900 787 HG11 VAL 99 HG11 VAL 99 -1.213 -10.651 1.138 788 HG12 VAL 99 HG12 VAL 99 -0.758 -9.184 2.022 789 HG13 VAL 99 HG13 VAL 99 -0.150 -9.445 0.395 790 HG21 VAL 99 HG21 VAL 99 1.525 -11.449 3.860 791 HG22 VAL 99 HG22 VAL 99 0.272 -10.215 3.975 792 HG23 VAL 99 HG23 VAL 99 -0.153 -11.865 3.491 793 H GLU 100 H GLU 100 -0.023 -12.748 -1.057 794 HA GLU 100 HA GLU 100 1.603 -11.195 -3.002 795 HB2 GLU 100 HB1 GLU 100 -0.977 -12.763 -3.288 796 HB3 GLU 100 HB2 GLU 100 -0.164 -11.862 -4.601 797 HG2 GLU 100 HG1 GLU 100 1.846 -13.409 -4.176 798 HG3 GLU 100 HG2 GLU 100 0.718 -14.422 -3.253 799 H LEU 101 H LEU 101 0.869 -9.300 -4.035 800 HA LEU 101 HA LEU 101 -1.908 -8.602 -3.716 801 HB2 LEU 101 HB1 LEU 101 -0.763 -7.632 -1.762 802 HB3 LEU 101 HB2 LEU 101 0.189 -6.620 -2.837 803 HG LEU 101 HG LEU 101 -2.796 -6.508 -2.537 804 HD11 LEU 101 HD11 LEU 101 -2.415 -4.485 -1.188 805 HD12 LEU 101 HD12 LEU 101 -0.659 -4.772 -1.271 806 HD13 LEU 101 HD13 LEU 101 -1.727 -5.940 -0.446 807 HD21 LEU 101 HD21 LEU 101 -2.424 -5.386 -4.571 808 HD22 LEU 101 HD22 LEU 101 -0.735 -5.001 -4.171 809 HD23 LEU 101 HD23 LEU 101 -2.017 -4.037 -3.484 810 H ASP 102 H ASP 102 -2.737 -7.941 -5.514 811 HA ASP 102 HA ASP 102 -1.228 -7.358 -7.977 812 HB2 ASP 102 HB1 ASP 102 -3.952 -8.264 -7.081 813 HB3 ASP 102 HB2 ASP 102 -3.803 -7.512 -8.660 814 H LEU 103 H LEU 103 -0.717 -5.186 -8.149 815 HA LEU 103 HA LEU 103 -2.413 -3.063 -7.078 816 HB2 LEU 103 HB1 LEU 103 0.107 -3.213 -8.749 817 HB3 LEU 103 HB2 LEU 103 -0.778 -1.686 -8.503 818 HG LEU 103 HG LEU 103 -0.500 -2.152 -5.985 819 HD11 LEU 103 HD11 LEU 103 0.293 -4.491 -6.107 820 HD12 LEU 103 HD12 LEU 103 1.527 -3.448 -5.394 821 HD13 LEU 103 HD13 LEU 103 1.679 -3.982 -7.085 822 HD21 LEU 103 HD21 LEU 103 1.724 -1.062 -6.051 823 HD22 LEU 103 HD22 LEU 103 0.662 -0.385 -7.279 824 HD23 LEU 103 HD23 LEU 103 1.924 -1.547 -7.746 825 H LEU 104 H LEU 104 -3.923 -1.926 -8.114 826 HA LEU 104 HA LEU 104 -4.669 -2.802 -10.873 827 HB2 LEU 104 HB1 LEU 104 -6.310 -1.319 -8.801 828 HB3 LEU 104 HB2 LEU 104 -6.891 -2.059 -10.298 829 HG LEU 104 HG LEU 104 -5.928 -3.469 -7.837 830 HD11 LEU 104 HD11 LEU 104 -8.259 -4.275 -7.709 831 HD12 LEU 104 HD12 LEU 104 -8.659 -3.376 -9.185 832 HD13 LEU 104 HD13 LEU 104 -8.204 -2.506 -7.706 833 HD21 LEU 104 HD21 LEU 104 -6.823 -4.693 -10.479 834 HD22 LEU 104 HD22 LEU 104 -6.588 -5.594 -8.963 835 HD23 LEU 104 HD23 LEU 104 -5.211 -4.812 -9.737 836 H PHE 105 H PHE 105 -4.312 -1.476 -12.564 837 HA PHE 105 HA PHE 105 -3.764 1.389 -11.966 838 HB2 PHE 105 HB1 PHE 105 -2.627 -0.435 -14.091 839 HB3 PHE 105 HB2 PHE 105 -2.290 1.296 -13.992 840 HD1 PHE 105 HD2 PHE 105 -1.679 -2.016 -12.455 841 HD2 PHE 105 HD1 PHE 105 -0.794 2.196 -12.268 842 HE1 PHE 105 HE2 PHE 105 0.217 -2.472 -10.938 843 HE2 PHE 105 HE1 PHE 105 1.048 1.744 -10.676 844 HZ PHE 105 HZ PHE 105 1.582 -0.600 -10.034 845 H ALA 106 H ALA 106 -4.639 3.000 -13.073 846 HA ALA 106 HA ALA 106 -6.963 2.525 -14.792 847 HB1 ALA 106 HB1 ALA 106 -7.046 5.049 -14.788 848 HB2 ALA 106 HB2 ALA 106 -7.142 4.275 -13.212 849 HB3 ALA 106 HB3 ALA 106 -5.611 5.025 -13.729 850 H GLY 107 H GLY 107 -5.642 1.314 -16.339 851 HA2 GLY 107 HA3 GLY 107 -5.442 2.690 -18.813 852 HA3 GLY 107 HA2 GLY 107 -3.804 2.549 -18.134 853 H GLY 108 H GLY 108 -6.362 0.074 -17.774 854 HA2 GLY 108 HA3 GLY 108 -6.546 -2.069 -18.565 855 HA3 GLY 108 HA2 GLY 108 -5.505 -1.600 -19.928 856 H LYS 109 H LYS 109 -4.452 -1.419 -16.533 857 HA LYS 109 HA LYS 109 -2.600 -3.725 -16.956 858 HB2 LYS 109 HB1 LYS 109 -2.008 -0.874 -16.430 859 HB3 LYS 109 HB2 LYS 109 -1.259 -1.997 -15.252 860 HG2 LYS 109 HG1 LYS 109 0.368 -1.654 -16.871 861 HG3 LYS 109 HG2 LYS 109 -0.296 -3.262 -17.192 862 HD2 LYS 109 HD1 LYS 109 0.017 -2.215 -19.307 863 HD3 LYS 109 HD2 LYS 109 -1.724 -2.158 -19.013 864 HE2 LYS 109 HE1 LYS 109 -1.414 0.202 -18.142 865 HE3 LYS 109 HE2 LYS 109 0.298 0.097 -18.592 866 HZ1 LYS 109 HZ1 LYS 109 -2.063 -0.024 -20.366 867 HZ2 LYS 109 HZ2 LYS 109 -0.527 -0.333 -20.905 868 HZ3 LYS 109 HZ3 LYS 109 -0.941 1.160 -20.334 869 H VAL 110 H VAL 110 -2.438 -5.128 -15.287 870 HA VAL 110 HA VAL 110 -2.718 -4.139 -12.574 871 HB VAL 110 HB VAL 110 -4.780 -5.232 -12.800 872 HG11 VAL 110 HG11 VAL 110 -3.410 -7.633 -14.063 873 HG12 VAL 110 HG12 VAL 110 -5.117 -7.551 -13.584 874 HG13 VAL 110 HG13 VAL 110 -4.518 -6.487 -14.856 875 HG21 VAL 110 HG21 VAL 110 -4.685 -7.056 -11.186 876 HG22 VAL 110 HG22 VAL 110 -2.977 -7.360 -11.550 877 HG23 VAL 110 HG23 VAL 110 -3.456 -5.867 -10.731 878 H LEU 111 H LEU 111 -1.071 -4.910 -11.282 879 HA LEU 111 HA LEU 111 0.847 -6.925 -12.352 880 HB2 LEU 111 HB1 LEU 111 1.557 -4.061 -11.599 881 HB3 LEU 111 HB2 LEU 111 2.740 -5.333 -11.926 882 HG LEU 111 HG LEU 111 0.774 -4.232 -13.983 883 HD11 LEU 111 HD11 LEU 111 2.698 -2.981 -14.878 884 HD12 LEU 111 HD12 LEU 111 3.702 -3.538 -13.519 885 HD13 LEU 111 HD13 LEU 111 2.309 -2.474 -13.227 886 HD21 LEU 111 HD21 LEU 111 1.631 -6.525 -14.499 887 HD22 LEU 111 HD22 LEU 111 3.294 -5.934 -14.313 888 HD23 LEU 111 HD23 LEU 111 2.266 -5.316 -15.624 889 H LYS 112 H LYS 112 1.409 -8.282 -10.677 890 HA LYS 112 HA LYS 112 0.859 -7.309 -7.970 891 HB2 LYS 112 HB1 LYS 112 1.237 -9.661 -7.278 892 HB3 LYS 112 HB2 LYS 112 -0.140 -9.328 -8.345 893 HG2 LYS 112 HG1 LYS 112 1.004 -10.333 -10.224 894 HG3 LYS 112 HG2 LYS 112 2.507 -10.495 -9.286 895 HD2 LYS 112 HD1 LYS 112 1.200 -12.633 -9.500 896 HD3 LYS 112 HD2 LYS 112 1.500 -12.130 -7.819 897 HE2 LYS 112 HE1 LYS 112 -0.761 -11.218 -7.667 898 HE3 LYS 112 HE2 LYS 112 -1.105 -11.610 -9.348 899 HZ1 LYS 112 HZ1 LYS 112 -0.452 -13.613 -7.244 900 HZ2 LYS 112 HZ2 LYS 112 -0.983 -13.947 -8.742 901 HZ3 LYS 112 HZ3 LYS 112 -1.965 -13.184 -7.638 902 H VAL 113 H VAL 113 2.044 -7.396 -6.242 903 HA VAL 113 HA VAL 113 5.014 -7.770 -6.485 904 HB VAL 113 HB VAL 113 5.277 -6.263 -4.562 905 HG11 VAL 113 HG11 VAL 113 4.927 -4.145 -5.756 906 HG12 VAL 113 HG12 VAL 113 5.508 -5.393 -6.882 907 HG13 VAL 113 HG13 VAL 113 3.801 -4.925 -6.880 908 HG21 VAL 113 HG21 VAL 113 2.313 -5.629 -4.885 909 HG22 VAL 113 HG22 VAL 113 3.063 -6.423 -3.498 910 HG23 VAL 113 HG23 VAL 113 3.462 -4.741 -3.867 911 H VAL 114 H VAL 114 6.020 -8.936 -4.787 912 HA VAL 114 HA VAL 114 4.228 -10.592 -3.127 913 HB VAL 114 HB VAL 114 6.280 -12.020 -2.863 914 HG11 VAL 114 HG11 VAL 114 4.231 -12.739 -4.034 915 HG12 VAL 114 HG12 VAL 114 4.774 -11.927 -5.517 916 HG13 VAL 114 HG13 VAL 114 5.668 -13.327 -4.887 917 HG21 VAL 114 HG21 VAL 114 7.814 -10.430 -3.936 918 HG22 VAL 114 HG22 VAL 114 7.838 -12.032 -4.716 919 HG23 VAL 114 HG23 VAL 114 6.960 -10.677 -5.474 920 H LEU 115 H LEU 115 4.367 -10.501 -0.999 921 HA LEU 115 HA LEU 115 6.301 -8.584 0.248 922 HB2 LEU 115 HB1 LEU 115 3.335 -8.765 0.785 923 HB3 LEU 115 HB2 LEU 115 4.472 -7.537 1.366 924 HG LEU 115 HG LEU 115 3.627 -7.866 -1.548 925 HD11 LEU 115 HD11 LEU 115 2.618 -5.917 0.566 926 HD12 LEU 115 HD12 LEU 115 1.699 -7.265 -0.147 927 HD13 LEU 115 HD13 LEU 115 2.197 -5.898 -1.157 928 HD21 LEU 115 HD21 LEU 115 4.608 -5.659 -1.866 929 HD22 LEU 115 HD22 LEU 115 5.840 -6.692 -1.141 930 HD23 LEU 115 HD23 LEU 115 4.954 -5.517 -0.142 931 HA PRO 116 HA PRO 116 6.228 -11.979 3.348 932 HB2 PRO 116 HB1 PRO 116 8.533 -11.404 4.652 933 HB3 PRO 116 HB2 PRO 116 8.527 -12.186 3.039 934 HG2 PRO 116 HG1 PRO 116 8.829 -9.226 3.658 935 HG3 PRO 116 HG2 PRO 116 9.896 -10.242 2.628 936 HD2 PRO 116 HD1 PRO 116 7.915 -8.727 1.553 937 HD3 PRO 116 HD2 PRO 116 8.276 -10.355 0.909 938 H VAL 117 H VAL 117 5.803 -11.997 5.603 939 HA VAL 117 HA VAL 117 4.950 -9.439 6.768 940 HB VAL 117 HB VAL 117 4.427 -12.315 7.611 941 HG11 VAL 117 HG11 VAL 117 3.379 -9.652 8.624 942 HG12 VAL 117 HG12 VAL 117 2.727 -11.243 9.083 943 HG13 VAL 117 HG13 VAL 117 4.372 -10.822 9.533 944 HG21 VAL 117 HG21 VAL 117 2.099 -11.832 6.839 945 HG22 VAL 117 HG22 VAL 117 2.619 -10.242 6.264 946 HG23 VAL 117 HG23 VAL 117 3.244 -11.717 5.497 947 H GLU 118 H GLU 118 5.955 -8.481 8.350 948 HA GLU 118 HA GLU 118 7.662 -9.913 10.300 949 HB2 GLU 118 HB1 GLU 118 9.197 -9.177 8.561 950 HB3 GLU 118 HB2 GLU 118 8.539 -7.539 8.611 951 HG2 GLU 118 HG1 GLU 118 9.420 -7.289 10.924 952 HG3 GLU 118 HG2 GLU 118 10.071 -8.935 10.854 953 H ALA 119 H ALA 119 8.048 -8.436 12.246 954 HA ALA 119 HA ALA 119 5.624 -6.980 12.997 955 HB1 ALA 119 HB1 ALA 119 8.229 -7.518 14.478 956 HB2 ALA 119 HB2 ALA 119 6.750 -6.856 15.195 957 HB3 ALA 119 HB3 ALA 119 6.758 -8.519 14.567 958 H ARG 120 H ARG 120 6.330 -5.696 10.936 959 HA ARG 120 HA ARG 120 8.578 -4.047 11.123 960 HB2 ARG 120 HB1 ARG 120 6.491 -4.716 9.132 961 HB3 ARG 120 HB2 ARG 120 7.191 -3.106 8.885 962 HG2 ARG 120 HG1 ARG 120 9.000 -5.458 9.409 963 HG3 ARG 120 HG2 ARG 120 8.320 -5.257 7.789 964 HD2 ARG 120 HD1 ARG 120 10.633 -4.299 8.114 965 HD3 ARG 120 HD2 ARG 120 9.426 -3.142 7.500 966 HE ARG 120 HE ARG 120 9.241 -2.243 9.788 967 HH11 ARG 120 HH12 ARG 120 11.809 -4.604 9.738 968 HH12 ARG 120 HH11 ARG 120 12.690 -3.775 10.966 969 HH21 ARG 120 HH22 ARG 120 9.998 -1.657 11.507 970 HH22 ARG 120 HH21 ARG 120 11.560 -2.177 12.127 Start of MODEL 22 1 H1 GLY 1 1H GLY 1 22.413 2.460 -5.483 2 H2 GLY 1 2H GLY 1 21.905 2.326 -7.030 3 H3 GLY 1 3H GLY 1 23.481 1.991 -6.655 4 HA2 GLY 1 HA3 GLY 1 22.226 -0.044 -7.019 5 HA3 GLY 1 HA2 GLY 1 22.828 0.089 -5.351 6 H SER 2 H SER 2 20.717 -1.601 -5.588 7 HA SER 2 HA SER 2 18.455 -0.137 -4.372 8 HB2 SER 2 HB1 SER 2 18.216 -2.059 -6.722 9 HB3 SER 2 HB2 SER 2 16.855 -1.526 -5.703 10 HG SER 2 HG SER 2 17.177 -0.293 -7.686 11 H PHE 3 H PHE 3 17.116 -1.593 -3.117 12 HA PHE 3 HA PHE 3 18.079 -4.201 -2.250 13 HB2 PHE 3 HB1 PHE 3 18.797 -3.238 0.007 14 HB3 PHE 3 HB2 PHE 3 19.916 -3.046 -1.353 15 HD1 PHE 3 HD1 PHE 3 17.445 -1.240 0.812 16 HD2 PHE 3 HD2 PHE 3 20.619 -0.885 -2.084 17 HE1 PHE 3 HE1 PHE 3 17.503 1.209 1.174 18 HE2 PHE 3 HE2 PHE 3 20.683 1.572 -1.706 19 HZ PHE 3 HZ PHE 3 19.114 2.621 -0.084 20 H THR 4 H THR 4 15.583 -3.069 -3.091 21 HA THR 4 HA THR 4 13.909 -2.779 -0.633 22 HB THR 4 HB THR 4 12.894 -0.808 -1.850 23 HG1 THR 4 HG1 THR 4 13.714 -1.451 -3.855 24 HG21 THR 4 HG21 THR 4 15.865 -0.383 -1.355 25 HG22 THR 4 HG22 THR 4 14.654 -0.512 -0.059 26 HG23 THR 4 HG23 THR 4 14.547 0.802 -1.239 27 H GLU 5 H GLU 5 12.336 -4.260 -0.795 28 HA GLU 5 HA GLU 5 10.916 -4.582 -3.385 29 HB2 GLU 5 HB1 GLU 5 12.433 -6.532 -2.765 30 HB3 GLU 5 HB2 GLU 5 11.325 -6.877 -1.440 31 HG2 GLU 5 HG1 GLU 5 9.493 -7.243 -3.022 32 HG3 GLU 5 HG2 GLU 5 10.475 -6.627 -4.372 33 H GLY 6 H GLY 6 9.200 -6.465 -1.266 34 HA2 GLY 6 HA3 GLY 6 7.834 -4.217 0.083 35 HA3 GLY 6 HA2 GLY 6 6.906 -5.142 -1.120 36 H TRP 7 H TRP 7 5.806 -5.005 1.272 37 HA TRP 7 HA TRP 7 5.910 -7.753 2.252 38 HB2 TRP 7 HB1 TRP 7 6.354 -7.273 4.521 39 HB3 TRP 7 HB2 TRP 7 7.690 -6.662 3.568 40 HD1 TRP 7 HD TRP 7 5.447 -5.835 6.294 41 HE1 TRP 7 HE1 TRP 7 5.705 -3.392 7.053 42 HE3 TRP 7 3HE TRP 7 8.097 -3.982 2.310 43 HZ2 TRP 7 HZ2 TRP 7 6.781 -0.947 6.026 44 HZ3 TRP 7 HZ3 TRP 7 8.668 -1.578 2.204 45 HH2 TRP 7 HH TRP 7 8.010 -0.044 4.044 46 H VAL 8 H VAL 8 4.256 -8.373 3.564 47 HA VAL 8 HA VAL 8 1.925 -6.538 3.993 48 HB VAL 8 HB VAL 8 2.089 -9.576 3.994 49 HG11 VAL 8 HG11 VAL 8 -0.365 -9.545 4.526 50 HG12 VAL 8 HG12 VAL 8 0.628 -8.973 5.864 51 HG13 VAL 8 HG13 VAL 8 -0.248 -7.802 4.848 52 HG21 VAL 8 HG21 VAL 8 0.457 -7.605 2.324 53 HG22 VAL 8 HG22 VAL 8 1.838 -8.565 1.763 54 HG23 VAL 8 HG23 VAL 8 0.339 -9.368 2.233 55 H ARG 9 H ARG 9 1.308 -6.216 6.130 56 HA ARG 9 HA ARG 9 3.454 -6.702 8.090 57 HB2 ARG 9 HB1 ARG 9 2.577 -4.457 7.790 58 HB3 ARG 9 HB2 ARG 9 0.945 -4.987 8.219 59 HG2 ARG 9 HG1 ARG 9 2.251 -3.782 10.018 60 HG3 ARG 9 HG2 ARG 9 1.552 -5.335 10.500 61 HD2 ARG 9 HD1 ARG 9 3.646 -6.379 10.615 62 HD3 ARG 9 HD2 ARG 9 4.402 -5.211 9.494 63 HE ARG 9 HE ARG 9 5.009 -3.936 11.249 64 HH11 ARG 9 HH12 ARG 9 2.368 -5.890 12.616 65 HH12 ARG 9 HH11 ARG 9 2.447 -5.003 14.112 66 HH21 ARG 9 HH22 ARG 9 5.197 -3.083 13.026 67 HH22 ARG 9 HH21 ARG 9 4.129 -3.377 14.394 68 H PHE 10 H PHE 10 3.429 -8.459 9.271 69 HA PHE 10 HA PHE 10 1.342 -10.151 10.097 70 HB2 PHE 10 HB1 PHE 10 3.596 -10.770 10.525 71 HB3 PHE 10 HB2 PHE 10 3.946 -9.242 11.357 72 HD1 PHE 10 HD1 PHE 10 1.730 -12.276 11.695 73 HD2 PHE 10 HD2 PHE 10 3.941 -9.156 13.689 74 HE1 PHE 10 HE1 PHE 10 1.157 -13.262 13.904 75 HE2 PHE 10 HE2 PHE 10 3.376 -10.164 15.882 76 HZ PHE 10 HZ PHE 10 1.984 -12.223 15.989 77 H SER 11 H SER 11 -0.423 -9.812 11.308 78 HA SER 11 HA SER 11 -0.250 -8.656 13.926 79 HB2 SER 11 HB1 SER 11 -2.007 -7.490 11.738 80 HB3 SER 11 HB2 SER 11 -2.381 -7.350 13.467 81 HG SER 11 HG SER 11 0.141 -6.688 12.385 82 HA PRO 12 HA PRO 12 -2.958 -12.275 13.841 83 HB2 PRO 12 HB1 PRO 12 -3.095 -12.882 16.464 84 HB3 PRO 12 HB2 PRO 12 -1.552 -12.990 15.560 85 HG2 PRO 12 HG1 PRO 12 -2.528 -10.693 17.286 86 HG3 PRO 12 HG2 PRO 12 -0.932 -11.523 17.354 87 HD2 PRO 12 HD1 PRO 12 -1.354 -9.186 15.952 88 HD3 PRO 12 HD2 PRO 12 -0.188 -10.433 15.422 89 H GLY 13 H GLY 13 -4.502 -10.476 12.984 90 HA2 GLY 13 HA3 GLY 13 -6.818 -10.186 14.814 91 HA3 GLY 13 HA2 GLY 13 -6.044 -8.714 14.183 92 HA PRO 14 HA PRO 14 -9.291 -9.991 11.098 93 HB2 PRO 14 HB1 PRO 14 -11.182 -8.109 11.498 94 HB3 PRO 14 HB2 PRO 14 -11.033 -9.513 12.599 95 HG2 PRO 14 HG1 PRO 14 -9.900 -6.722 12.988 96 HG3 PRO 14 HG2 PRO 14 -10.875 -7.691 14.151 97 HD2 PRO 14 HD1 PRO 14 -8.120 -7.609 14.206 98 HD3 PRO 14 HD2 PRO 14 -9.044 -9.070 14.664 99 H ASN 15 H ASN 15 -7.405 -7.137 11.769 100 HA ASN 15 HA ASN 15 -7.619 -6.238 8.945 101 HB2 ASN 15 HB1 ASN 15 -7.578 -4.514 11.448 102 HB3 ASN 15 HB2 ASN 15 -7.291 -3.896 9.804 103 HD21 ASN 15 HD21 ASN 15 -9.114 -2.471 10.821 104 HD22 ASN 15 HD22 ASN 15 -10.734 -3.002 10.378 105 H ALA 16 H ALA 16 -5.700 -5.101 8.220 106 HA ALA 16 HA ALA 16 -3.264 -4.978 9.770 107 HB1 ALA 16 HB1 ALA 16 -3.364 -7.051 7.529 108 HB2 ALA 16 HB2 ALA 16 -1.936 -6.610 8.490 109 HB3 ALA 16 HB3 ALA 16 -3.294 -7.418 9.266 110 H ALA 17 H ALA 17 -1.455 -4.957 7.555 111 HA ALA 17 HA ALA 17 -2.356 -2.757 5.790 112 HB1 ALA 17 HB1 ALA 17 -1.498 -1.665 7.874 113 HB2 ALA 17 HB2 ALA 17 0.046 -2.519 7.662 114 HB3 ALA 17 HB3 ALA 17 -0.485 -1.328 6.460 115 H ALA 18 H ALA 18 -0.889 -2.404 4.022 116 HA ALA 18 HA ALA 18 1.499 -4.108 3.763 117 HB1 ALA 18 HB1 ALA 18 0.874 -5.000 1.599 118 HB2 ALA 18 HB2 ALA 18 -0.379 -5.431 2.775 119 HB3 ALA 18 HB3 ALA 18 -0.663 -4.112 1.616 120 H TYR 19 H TYR 19 2.860 -3.551 2.054 121 HA TYR 19 HA TYR 19 2.781 -0.956 0.750 122 HB2 TYR 19 HB1 TYR 19 5.152 -1.214 2.495 123 HB3 TYR 19 HB2 TYR 19 4.269 0.225 2.018 124 HD1 TYR 19 HD1 TYR 19 4.138 -2.725 4.292 125 HD2 TYR 19 HD2 TYR 19 2.963 1.368 3.659 126 HE1 TYR 19 HE1 TYR 19 3.400 -2.612 6.638 127 HE2 TYR 19 HE2 TYR 19 2.174 1.498 6.026 128 HH TYR 19 HH TYR 19 2.546 -1.188 8.320 129 H LEU 20 H LEU 20 4.678 -0.717 -0.707 130 HA LEU 20 HA LEU 20 6.573 -2.888 -0.957 131 HB2 LEU 20 HB1 LEU 20 5.770 -3.664 -3.167 132 HB3 LEU 20 HB2 LEU 20 4.639 -4.061 -1.867 133 HG LEU 20 HG LEU 20 4.018 -1.456 -3.127 134 HD11 LEU 20 HD11 LEU 20 3.329 -2.261 -5.293 135 HD12 LEU 20 HD12 LEU 20 3.943 -3.894 -4.929 136 HD13 LEU 20 HD13 LEU 20 5.066 -2.528 -5.091 137 HD21 LEU 20 HD21 LEU 20 2.404 -4.028 -2.895 138 HD22 LEU 20 HD22 LEU 20 1.783 -2.408 -3.284 139 HD23 LEU 20 HD23 LEU 20 2.455 -2.733 -1.679 140 H THR 21 H THR 21 8.139 -2.616 -2.557 141 HA THR 21 HA THR 21 8.487 0.089 -3.637 142 HB THR 21 HB THR 21 10.113 -2.411 -4.212 143 HG1 THR 21 HG1 THR 21 10.197 -1.941 -2.061 144 HG21 THR 21 HG21 THR 21 11.832 -0.711 -4.802 145 HG22 THR 21 HG22 THR 21 10.645 0.587 -4.520 146 HG23 THR 21 HG23 THR 21 10.419 -0.568 -5.857 147 H LEU 22 H LEU 22 6.881 0.543 -4.880 148 HA LEU 22 HA LEU 22 6.170 -1.063 -7.267 149 HB2 LEU 22 HB1 LEU 22 4.428 -0.090 -5.859 150 HB3 LEU 22 HB2 LEU 22 5.145 1.516 -5.971 151 HG LEU 22 HG LEU 22 4.151 0.094 -8.467 152 HD11 LEU 22 HD11 LEU 22 2.330 -0.089 -6.841 153 HD12 LEU 22 HD12 LEU 22 1.934 1.213 -7.983 154 HD13 LEU 22 HD13 LEU 22 2.551 1.602 -6.359 155 HD21 LEU 22 HD21 LEU 22 5.340 2.321 -8.735 156 HD22 LEU 22 HD22 LEU 22 4.178 3.035 -7.614 157 HD23 LEU 22 HD23 LEU 22 3.640 2.413 -9.188 158 H GLU 23 H GLU 23 6.593 -0.236 -9.414 159 HA GLU 23 HA GLU 23 7.749 2.384 -9.614 160 HB2 GLU 23 HB1 GLU 23 9.786 1.911 -10.661 161 HB3 GLU 23 HB2 GLU 23 9.779 1.007 -9.144 162 HG2 GLU 23 HG1 GLU 23 9.787 -1.041 -10.212 163 HG3 GLU 23 HG2 GLU 23 8.975 -0.432 -11.670 164 H ASN 24 H ASN 24 8.125 3.080 -11.754 165 HA ASN 24 HA ASN 24 6.488 1.731 -13.851 166 HB2 ASN 24 HB1 ASN 24 5.438 3.776 -13.011 167 HB3 ASN 24 HB2 ASN 24 6.916 4.698 -13.310 168 HD21 ASN 24 HD21 ASN 24 5.472 6.034 -14.592 169 HD22 ASN 24 HD22 ASN 24 5.126 5.558 -16.262 170 HA PRO 25 HA PRO 25 10.748 2.069 -15.569 171 HB2 PRO 25 HB1 PRO 25 10.745 -0.162 -17.127 172 HB3 PRO 25 HB2 PRO 25 10.959 -0.240 -15.350 173 HG2 PRO 25 HG1 PRO 25 8.391 -0.615 -16.925 174 HG3 PRO 25 HG2 PRO 25 9.074 -1.697 -15.660 175 HD2 PRO 25 HD1 PRO 25 7.164 0.168 -15.088 176 HD3 PRO 25 HD2 PRO 25 8.483 -0.199 -13.939 177 H GLY 26 H GLY 26 7.622 2.454 -16.894 178 HA2 GLY 26 HA3 GLY 26 8.385 2.633 -19.706 179 HA3 GLY 26 HA2 GLY 26 6.786 2.935 -18.988 180 H ASP 27 H ASP 27 7.266 4.567 -20.840 181 HA ASP 27 HA ASP 27 8.597 7.044 -19.882 182 HB2 ASP 27 HB1 ASP 27 7.998 5.956 -22.645 183 HB3 ASP 27 HB2 ASP 27 8.743 7.540 -22.319 184 H LEU 28 H LEU 28 5.552 5.947 -19.866 185 HA LEU 28 HA LEU 28 4.450 8.693 -19.924 186 HB2 LEU 28 HB1 LEU 28 2.286 7.828 -20.565 187 HB3 LEU 28 HB2 LEU 28 3.537 7.451 -21.778 188 HG LEU 28 HG LEU 28 3.574 5.085 -20.775 189 HD11 LEU 28 HD11 LEU 28 1.347 4.416 -19.720 190 HD12 LEU 28 HD12 LEU 28 1.035 6.146 -19.448 191 HD13 LEU 28 HD13 LEU 28 2.405 5.332 -18.664 192 HD21 LEU 28 HD21 LEU 28 2.524 5.669 -22.932 193 HD22 LEU 28 HD22 LEU 28 1.022 6.111 -22.093 194 HD23 LEU 28 HD23 LEU 28 1.589 4.426 -22.091 195 HA PRO 29 HA PRO 29 3.886 7.992 -15.699 196 HB2 PRO 29 HB1 PRO 29 1.761 9.481 -14.901 197 HB3 PRO 29 HB2 PRO 29 3.219 10.211 -15.638 198 HG2 PRO 29 HG1 PRO 29 0.598 9.522 -16.981 199 HG3 PRO 29 HG2 PRO 29 1.550 11.041 -17.120 200 HD2 PRO 29 HD1 PRO 29 1.663 8.970 -18.955 201 HD3 PRO 29 HD2 PRO 29 3.044 10.039 -18.644 202 H LEU 30 H LEU 30 2.661 7.015 -13.898 203 HA LEU 30 HA LEU 30 0.416 5.214 -14.727 204 HB2 LEU 30 HB1 LEU 30 2.447 4.832 -12.531 205 HB3 LEU 30 HB2 LEU 30 0.986 3.848 -12.742 206 HG LEU 30 HG LEU 30 3.325 4.101 -14.573 207 HD11 LEU 30 HD11 LEU 30 3.482 2.593 -12.537 208 HD12 LEU 30 HD12 LEU 30 3.673 1.723 -14.077 209 HD13 LEU 30 HD13 LEU 30 2.121 1.671 -13.214 210 HD21 LEU 30 HD21 LEU 30 1.499 3.884 -16.100 211 HD22 LEU 30 HD22 LEU 30 0.808 2.538 -15.144 212 HD23 LEU 30 HD23 LEU 30 2.359 2.352 -16.010 213 H ARG 31 H ARG 31 -1.255 5.033 -13.462 214 HA ARG 31 HA ARG 31 -1.589 6.782 -11.048 215 HB2 ARG 31 HB1 ARG 31 -2.923 7.646 -12.970 216 HB3 ARG 31 HB2 ARG 31 -3.797 6.111 -13.027 217 HG2 ARG 31 HG1 ARG 31 -4.666 6.491 -10.759 218 HG3 ARG 31 HG2 ARG 31 -3.678 7.978 -10.625 219 HD2 ARG 31 HD1 ARG 31 -5.830 8.766 -11.117 220 HD3 ARG 31 HD2 ARG 31 -4.934 8.850 -12.647 221 HE ARG 31 HE ARG 31 -6.520 6.411 -12.214 222 HH11 ARG 31 HH12 ARG 31 -6.766 9.744 -13.340 223 HH12 ARG 31 HH11 ARG 31 -8.060 9.392 -14.444 224 HH21 ARG 31 HH22 ARG 31 -8.165 5.970 -13.840 225 HH22 ARG 31 HH21 ARG 31 -8.889 7.326 -14.617 226 H LEU 32 H LEU 32 -1.636 5.450 -9.327 227 HA LEU 32 HA LEU 32 -2.439 2.581 -9.544 228 HB2 LEU 32 HB1 LEU 32 -0.345 3.122 -8.409 229 HB3 LEU 32 HB2 LEU 32 -1.185 4.286 -7.359 230 HG LEU 32 HG LEU 32 -2.507 2.294 -6.433 231 HD11 LEU 32 HD11 LEU 32 -1.482 0.058 -6.705 232 HD12 LEU 32 HD12 LEU 32 -0.317 0.713 -7.868 233 HD13 LEU 32 HD13 LEU 32 -2.035 0.670 -8.266 234 HD21 LEU 32 HD21 LEU 32 -0.604 1.622 -4.966 235 HD22 LEU 32 HD22 LEU 32 -0.686 3.378 -5.218 236 HD23 LEU 32 HD23 LEU 32 0.512 2.425 -6.093 237 H VAL 33 H VAL 33 -4.497 1.987 -8.883 238 HA VAL 33 HA VAL 33 -6.186 4.102 -7.559 239 HB VAL 33 HB VAL 33 -8.118 3.304 -8.844 240 HG11 VAL 33 HG11 VAL 33 -6.828 5.224 -9.678 241 HG12 VAL 33 HG12 VAL 33 -5.790 4.145 -10.622 242 HG13 VAL 33 HG13 VAL 33 -7.517 4.287 -11.007 243 HG21 VAL 33 HG21 VAL 33 -6.190 1.648 -10.519 244 HG22 VAL 33 HG22 VAL 33 -7.336 0.964 -9.344 245 HG23 VAL 33 HG23 VAL 33 -7.928 1.840 -10.761 246 H GLY 34 H GLY 34 -5.012 0.873 -7.224 247 HA2 GLY 34 HA3 GLY 34 -6.106 0.586 -4.674 248 HA3 GLY 34 HA2 GLY 34 -7.181 -0.272 -5.802 249 H ALA 35 H ALA 35 -6.569 -2.130 -4.585 250 HA ALA 35 HA ALA 35 -4.410 -3.571 -5.861 251 HB1 ALA 35 HB1 ALA 35 -3.112 -2.905 -3.970 252 HB2 ALA 35 HB2 ALA 35 -4.511 -2.919 -2.874 253 HB3 ALA 35 HB3 ALA 35 -3.799 -4.435 -3.390 254 H ARG 36 H ARG 36 -4.569 -6.064 -4.908 255 HA ARG 36 HA ARG 36 -7.031 -6.651 -3.539 256 HB2 ARG 36 HB1 ARG 36 -8.146 -8.086 -5.157 257 HB3 ARG 36 HB2 ARG 36 -8.102 -6.413 -5.738 258 HG2 ARG 36 HG1 ARG 36 -6.103 -7.046 -7.137 259 HG3 ARG 36 HG2 ARG 36 -6.381 -8.738 -6.649 260 HD2 ARG 36 HD1 ARG 36 -8.639 -8.634 -7.684 261 HD3 ARG 36 HD2 ARG 36 -8.284 -6.983 -8.236 262 HE ARG 36 HE ARG 36 -6.197 -8.804 -9.061 263 HH11 ARG 36 HH12 ARG 36 -9.475 -7.878 -10.023 264 HH12 ARG 36 HH11 ARG 36 -9.247 -8.492 -11.638 265 HH21 ARG 36 HH22 ARG 36 -5.940 -9.497 -11.010 266 HH22 ARG 36 HH21 ARG 36 -7.216 -9.456 -12.220 267 H THR 37 H THR 37 -6.912 -8.641 -2.521 268 HA THR 37 HA THR 37 -4.639 -10.439 -3.139 269 HB THR 37 HB THR 37 -3.666 -8.820 -1.645 270 HG1 THR 37 HG1 THR 37 -3.029 -10.848 -1.360 271 HG21 THR 37 HG21 THR 37 -5.819 -9.528 0.393 272 HG22 THR 37 HG22 THR 37 -5.670 -7.956 -0.430 273 HG23 THR 37 HG23 THR 37 -4.388 -8.524 0.657 274 HA PRO 38 HA PRO 38 -7.909 -13.285 -1.927 275 HB2 PRO 38 HB1 PRO 38 -6.550 -15.522 -1.110 276 HB3 PRO 38 HB2 PRO 38 -6.691 -14.996 -2.818 277 HG2 PRO 38 HG1 PRO 38 -4.394 -14.477 -0.925 278 HG3 PRO 38 HG2 PRO 38 -4.325 -15.142 -2.599 279 HD2 PRO 38 HD1 PRO 38 -3.913 -12.504 -2.125 280 HD3 PRO 38 HD2 PRO 38 -4.852 -13.035 -3.543 281 H VAL 39 H VAL 39 -5.384 -12.431 0.343 282 HA VAL 39 HA VAL 39 -6.632 -13.706 2.604 283 HB VAL 39 HB VAL 39 -4.958 -12.805 4.007 284 HG11 VAL 39 HG11 VAL 39 -3.673 -13.352 1.292 285 HG12 VAL 39 HG12 VAL 39 -2.949 -13.581 2.899 286 HG13 VAL 39 HG13 VAL 39 -4.309 -14.595 2.394 287 HG21 VAL 39 HG21 VAL 39 -3.293 -11.125 3.295 288 HG22 VAL 39 HG22 VAL 39 -4.175 -10.885 1.779 289 HG23 VAL 39 HG23 VAL 39 -4.920 -10.431 3.322 290 H ALA 40 H ALA 40 -7.939 -11.132 1.077 291 HA ALA 40 HA ALA 40 -8.611 -9.535 3.519 292 HB1 ALA 40 HB1 ALA 40 -8.556 -8.783 0.575 293 HB2 ALA 40 HB2 ALA 40 -8.905 -7.696 1.931 294 HB3 ALA 40 HB3 ALA 40 -7.301 -8.412 1.782 295 H GLU 41 H GLU 41 -10.589 -8.384 3.562 296 HA GLU 41 HA GLU 41 -12.849 -9.359 1.905 297 HB2 GLU 41 HB1 GLU 41 -13.306 -8.853 4.295 298 HB3 GLU 41 HB2 GLU 41 -12.809 -7.187 4.051 299 HG2 GLU 41 HG1 GLU 41 -14.818 -7.810 2.088 300 HG3 GLU 41 HG2 GLU 41 -15.388 -8.422 3.653 301 H ARG 42 H ARG 42 -12.658 -5.931 2.503 302 HA ARG 42 HA ARG 42 -11.750 -5.301 -0.193 303 HB2 ARG 42 HB1 ARG 42 -12.239 -3.053 0.352 304 HB3 ARG 42 HB2 ARG 42 -13.504 -4.010 1.123 305 HG2 ARG 42 HG1 ARG 42 -11.940 -3.934 3.225 306 HG3 ARG 42 HG2 ARG 42 -11.095 -2.623 2.374 307 HD2 ARG 42 HD1 ARG 42 -12.592 -1.524 3.791 308 HD3 ARG 42 HD2 ARG 42 -13.390 -1.460 2.223 309 HE ARG 42 HE ARG 42 -14.372 -3.791 3.286 310 HH11 ARG 42 HH12 ARG 42 -14.259 -0.539 4.584 311 HH12 ARG 42 HH11 ARG 42 -15.528 -0.850 5.751 312 HH21 ARG 42 HH22 ARG 42 -15.780 -4.265 4.823 313 HH22 ARG 42 HH21 ARG 42 -16.442 -3.035 5.874 314 H VAL 43 H VAL 43 -10.099 -3.632 -0.484 315 HA VAL 43 HA VAL 43 -8.080 -3.264 1.588 316 HB VAL 43 HB VAL 43 -7.037 -4.982 0.231 317 HG11 VAL 43 HG11 VAL 43 -7.278 -3.196 -2.205 318 HG12 VAL 43 HG12 VAL 43 -6.451 -4.760 -2.080 319 HG13 VAL 43 HG13 VAL 43 -8.209 -4.686 -1.917 320 HG21 VAL 43 HG21 VAL 43 -5.640 -3.107 1.141 321 HG22 VAL 43 HG22 VAL 43 -4.943 -3.876 -0.297 322 HG23 VAL 43 HG23 VAL 43 -5.749 -2.300 -0.432 323 H GLU 44 H GLU 44 -7.591 -1.121 1.766 324 HA GLU 44 HA GLU 44 -8.717 0.775 -0.286 325 HB2 GLU 44 HB1 GLU 44 -8.523 1.024 2.740 326 HB3 GLU 44 HB2 GLU 44 -9.052 2.307 1.622 327 HG2 GLU 44 HG1 GLU 44 -10.997 0.942 0.981 328 HG3 GLU 44 HG2 GLU 44 -10.472 -0.347 2.079 329 H LEU 45 H LEU 45 -7.085 2.152 -1.235 330 HA LEU 45 HA LEU 45 -4.537 2.355 0.147 331 HB2 LEU 45 HB1 LEU 45 -4.875 2.217 -2.373 332 HB3 LEU 45 HB2 LEU 45 -5.424 3.890 -2.324 333 HG LEU 45 HG LEU 45 -2.807 3.109 -0.965 334 HD11 LEU 45 HD11 LEU 45 -3.092 3.740 -3.915 335 HD12 LEU 45 HD12 LEU 45 -2.772 2.147 -3.234 336 HD13 LEU 45 HD13 LEU 45 -1.579 3.437 -2.980 337 HD21 LEU 45 HD21 LEU 45 -3.627 5.568 -2.557 338 HD22 LEU 45 HD22 LEU 45 -2.104 5.349 -1.655 339 HD23 LEU 45 HD23 LEU 45 -3.625 5.468 -0.772 340 H HIS 46 H HIS 46 -4.121 3.637 1.657 341 HA HIS 46 HA HIS 46 -5.629 6.165 2.030 342 HB2 HIS 46 HB1 HIS 46 -4.252 4.296 3.960 343 HB3 HIS 46 HB2 HIS 46 -4.757 5.919 4.436 344 HD2 HIS 46 HD2 HIS 46 -7.420 4.072 2.369 345 HE1 HIS 46 HE1 HIS 46 -8.553 3.690 6.421 346 HE2 HIS 46 HE2 HIS 46 -9.268 3.248 4.019 347 H GLU 47 H GLU 47 -4.593 7.951 2.776 348 HA GLU 47 HA GLU 47 -1.679 8.333 2.247 349 HB2 GLU 47 HB1 GLU 47 -2.204 10.746 2.288 350 HB3 GLU 47 HB2 GLU 47 -3.116 9.904 1.017 351 HG2 GLU 47 HG1 GLU 47 -5.114 9.892 2.390 352 HG3 GLU 47 HG2 GLU 47 -4.250 10.572 3.771 353 H THR 48 H THR 48 -0.662 9.884 3.853 354 HA THR 48 HA THR 48 -1.786 9.750 6.630 355 HB THR 48 HB THR 48 1.101 9.292 5.819 356 HG1 THR 48 HG1 THR 48 -1.045 7.745 5.974 357 HG21 THR 48 HG21 THR 48 -0.275 9.179 8.544 358 HG22 THR 48 HG22 THR 48 0.927 10.381 8.027 359 HG23 THR 48 HG23 THR 48 1.402 8.688 8.213 360 H PHE 49 H PHE 49 -2.494 11.799 6.651 361 HA PHE 49 HA PHE 49 -0.888 13.854 5.280 362 HB2 PHE 49 HB1 PHE 49 -2.884 15.135 5.132 363 HB3 PHE 49 HB2 PHE 49 -3.156 13.493 4.559 364 HD1 PHE 49 HD1 PHE 49 -4.606 11.923 5.989 365 HD2 PHE 49 HD2 PHE 49 -4.166 16.120 6.843 366 HE1 PHE 49 HE1 PHE 49 -6.673 11.871 7.381 367 HE2 PHE 49 HE2 PHE 49 -6.224 16.067 8.191 368 HZ PHE 49 HZ PHE 49 -7.465 13.931 8.483 369 H MET 50 H MET 50 -0.451 15.865 6.054 370 HA MET 50 HA MET 50 -0.015 16.139 8.914 371 HB2 MET 50 HB1 MET 50 1.478 16.847 6.871 372 HB3 MET 50 HB2 MET 50 0.408 18.251 6.763 373 HG2 MET 50 HG1 MET 50 0.895 18.790 9.130 374 HG3 MET 50 HG2 MET 50 1.870 17.301 9.234 375 HE1 MET 50 HE1 MET 50 1.627 20.207 6.487 376 HE2 MET 50 HE2 MET 50 1.539 20.955 8.095 377 HE3 MET 50 HE3 MET 50 2.953 21.231 7.055 378 H ARG 51 H ARG 51 -1.133 17.487 10.286 379 HA ARG 51 HA ARG 51 -3.239 19.280 9.329 380 HB2 ARG 51 HB1 ARG 51 -4.962 18.028 10.761 381 HB3 ARG 51 HB2 ARG 51 -4.592 17.411 9.133 382 HG2 ARG 51 HG1 ARG 51 -3.469 15.541 9.948 383 HG3 ARG 51 HG2 ARG 51 -3.155 16.245 11.539 384 HD2 ARG 51 HD1 ARG 51 -5.929 15.526 10.558 385 HD3 ARG 51 HD2 ARG 51 -4.895 14.421 11.476 386 HE ARG 51 HE ARG 51 -5.930 17.057 12.455 387 HH11 ARG 51 HH12 ARG 51 -4.502 13.928 13.381 388 HH12 ARG 51 HH11 ARG 51 -5.132 14.046 14.989 389 HH21 ARG 51 HH22 ARG 51 -6.590 17.159 14.561 390 HH22 ARG 51 HH21 ARG 51 -6.206 15.879 15.674 391 H GLU 52 H GLU 52 -2.964 20.988 10.524 392 HA GLU 52 HA GLU 52 -2.100 20.826 13.373 393 HB2 GLU 52 HB1 GLU 52 -2.140 22.925 11.243 394 HB3 GLU 52 HB2 GLU 52 -2.213 23.419 12.960 395 HG2 GLU 52 HG1 GLU 52 0.097 23.315 12.072 396 HG3 GLU 52 HG2 GLU 52 -0.183 22.287 13.479 397 H VAL 53 H VAL 53 -3.215 21.836 14.989 398 HA VAL 53 HA VAL 53 -6.065 22.631 14.560 399 HB VAL 53 HB VAL 53 -5.235 20.505 16.599 400 HG11 VAL 53 HG11 VAL 53 -7.962 21.750 16.009 401 HG12 VAL 53 HG12 VAL 53 -7.670 20.390 17.114 402 HG13 VAL 53 HG13 VAL 53 -7.004 21.979 17.488 403 HG21 VAL 53 HG21 VAL 53 -5.411 19.451 14.394 404 HG22 VAL 53 HG22 VAL 53 -6.788 18.989 15.397 405 HG23 VAL 53 HG23 VAL 53 -6.997 20.214 14.128 406 H GLU 54 H GLU 54 -6.358 24.501 15.624 407 HA GLU 54 HA GLU 54 -6.074 26.286 17.034 408 HB2 GLU 54 HB1 GLU 54 -6.051 24.280 18.730 409 HB3 GLU 54 HB2 GLU 54 -4.332 24.687 18.890 410 HG2 GLU 54 HG1 GLU 54 -5.077 27.039 19.531 411 HG3 GLU 54 HG2 GLU 54 -6.732 26.397 19.615 412 H GLY 55 H GLY 55 -3.827 25.137 15.091 413 HA2 GLY 55 HA3 GLY 55 -1.835 26.094 14.253 414 HA3 GLY 55 HA2 GLY 55 -1.662 27.043 15.747 415 H LYS 56 H LYS 56 -2.369 23.984 16.854 416 HA LYS 56 HA LYS 56 0.462 23.341 17.367 417 HB2 LYS 56 HB1 LYS 56 -2.160 22.307 18.536 418 HB3 LYS 56 HB2 LYS 56 -0.525 21.865 19.066 419 HG2 LYS 56 HG1 LYS 56 -0.093 24.233 19.654 420 HG3 LYS 56 HG2 LYS 56 -1.758 24.651 19.202 421 HD2 LYS 56 HD1 LYS 56 -0.922 22.820 21.481 422 HD3 LYS 56 HD2 LYS 56 -1.535 24.499 21.592 423 HE2 LYS 56 HE1 LYS 56 -3.564 23.445 20.222 424 HE3 LYS 56 HE2 LYS 56 -3.030 21.941 20.950 425 HZ1 LYS 56 HZ1 LYS 56 -4.744 23.326 22.185 426 HZ2 LYS 56 HZ2 LYS 56 -3.696 24.450 22.390 427 HZ3 LYS 56 HZ3 LYS 56 -3.407 22.987 23.148 428 H LYS 57 H LYS 57 1.368 21.397 16.925 429 HA LYS 57 HA LYS 57 0.746 20.542 14.310 430 HB2 LYS 57 HB1 LYS 57 2.951 21.030 14.943 431 HB3 LYS 57 HB2 LYS 57 2.839 20.047 16.433 432 HG2 LYS 57 HG1 LYS 57 4.357 19.085 14.858 433 HG3 LYS 57 HG2 LYS 57 2.983 18.031 15.213 434 HD2 LYS 57 HD1 LYS 57 3.729 17.964 12.841 435 HD3 LYS 57 HD2 LYS 57 2.042 18.473 13.010 436 HE2 LYS 57 HE1 LYS 57 2.972 20.891 12.913 437 HE3 LYS 57 HE2 LYS 57 4.481 20.178 12.343 438 HZ1 LYS 57 HZ1 LYS 57 3.188 19.230 10.457 439 HZ2 LYS 57 HZ2 LYS 57 2.877 20.852 10.550 440 HZ3 LYS 57 HZ3 LYS 57 1.796 19.851 11.110 441 H VAL 58 H VAL 58 -0.263 18.732 13.501 442 HA VAL 58 HA VAL 58 -0.138 16.258 15.094 443 HB VAL 58 HB VAL 58 -2.869 16.601 14.034 444 HG11 VAL 58 HG11 VAL 58 -3.459 15.498 16.162 445 HG12 VAL 58 HG12 VAL 58 -2.164 14.631 15.332 446 HG13 VAL 58 HG13 VAL 58 -1.784 15.670 16.719 447 HG21 VAL 58 HG21 VAL 58 -3.846 17.851 15.855 448 HG22 VAL 58 HG22 VAL 58 -2.261 18.167 16.571 449 HG23 VAL 58 HG23 VAL 58 -2.704 18.895 15.012 450 H MET 59 H MET 59 -1.240 14.403 13.850 451 HA MET 59 HA MET 59 -0.909 14.584 10.893 452 HB2 MET 59 HB1 MET 59 1.012 13.450 12.364 453 HB3 MET 59 HB2 MET 59 -0.117 12.083 12.385 454 HG2 MET 59 HG1 MET 59 1.390 11.749 10.572 455 HG3 MET 59 HG2 MET 59 -0.156 12.186 9.850 456 HE1 MET 59 HE1 MET 59 3.530 13.169 10.573 457 HE2 MET 59 HE2 MET 59 3.651 14.830 9.957 458 HE3 MET 59 HE3 MET 59 2.747 14.509 11.452 459 H GLY 60 H GLY 60 -2.178 12.935 9.754 460 HA2 GLY 60 HA3 GLY 60 -4.160 11.365 11.290 461 HA3 GLY 60 HA2 GLY 60 -4.765 12.501 10.063 462 H MET 61 H MET 61 -5.519 10.043 9.555 463 HA MET 61 HA MET 61 -4.012 9.280 7.137 464 HB2 MET 61 HB1 MET 61 -4.872 7.338 9.320 465 HB3 MET 61 HB2 MET 61 -4.443 6.842 7.662 466 HG2 MET 61 HG1 MET 61 -2.203 7.748 7.929 467 HG3 MET 61 HG2 MET 61 -2.579 8.319 9.559 468 HE1 MET 61 HE1 MET 61 -0.055 6.508 8.671 469 HE2 MET 61 HE2 MET 61 -0.318 7.176 10.301 470 HE3 MET 61 HE3 MET 61 0.029 5.446 10.088 471 H ARG 62 H ARG 62 -5.369 8.222 5.560 472 HA ARG 62 HA ARG 62 -8.278 8.262 5.875 473 HB2 ARG 62 HB1 ARG 62 -7.170 10.738 5.685 474 HB3 ARG 62 HB2 ARG 62 -7.250 10.358 3.964 475 HG2 ARG 62 HG1 ARG 62 -9.742 9.770 4.431 476 HG3 ARG 62 HG2 ARG 62 -9.502 10.572 5.999 477 HD2 ARG 62 HD1 ARG 62 -10.484 12.158 4.431 478 HD3 ARG 62 HD2 ARG 62 -8.820 12.646 4.775 479 HE ARG 62 HE ARG 62 -9.578 11.040 2.339 480 HH11 ARG 62 HH12 ARG 62 -7.820 13.872 3.562 481 HH12 ARG 62 HH11 ARG 62 -6.509 13.508 2.491 482 HH21 ARG 62 HH22 ARG 62 -8.031 10.952 0.803 483 HH22 ARG 62 HH21 ARG 62 -6.728 12.123 0.819 484 HA PRO 63 HA PRO 63 -7.586 6.150 1.870 485 HB2 PRO 63 HB1 PRO 63 -10.147 6.013 0.901 486 HB3 PRO 63 HB2 PRO 63 -9.433 4.838 2.031 487 HG2 PRO 63 HG1 PRO 63 -11.187 7.178 2.649 488 HG3 PRO 63 HG2 PRO 63 -11.243 5.538 3.360 489 HD2 PRO 63 HD1 PRO 63 -10.104 7.692 4.629 490 HD3 PRO 63 HD2 PRO 63 -9.440 6.046 4.808 491 H VAL 64 H VAL 64 -7.447 6.679 -0.244 492 HA VAL 64 HA VAL 64 -8.238 9.444 -1.101 493 HB VAL 64 HB VAL 64 -6.256 9.160 -2.764 494 HG11 VAL 64 HG11 VAL 64 -5.762 9.682 0.178 495 HG12 VAL 64 HG12 VAL 64 -4.685 10.174 -1.150 496 HG13 VAL 64 HG13 VAL 64 -6.317 10.854 -1.045 497 HG21 VAL 64 HG21 VAL 64 -5.691 6.794 -2.221 498 HG22 VAL 64 HG22 VAL 64 -4.327 7.916 -2.028 499 HG23 VAL 64 HG23 VAL 64 -5.177 7.322 -0.596 500 HA PRO 65 HA PRO 65 -10.143 7.360 -4.571 501 HB2 PRO 65 HB1 PRO 65 -9.957 9.170 -6.595 502 HB3 PRO 65 HB2 PRO 65 -11.012 9.425 -5.170 503 HG2 PRO 65 HG1 PRO 65 -8.203 10.490 -5.611 504 HG3 PRO 65 HG2 PRO 65 -9.669 11.411 -5.114 505 HD2 PRO 65 HD1 PRO 65 -7.868 10.501 -3.283 506 HD3 PRO 65 HD2 PRO 65 -9.623 10.471 -2.943 507 H PHE 66 H PHE 66 -6.744 8.419 -4.769 508 HA PHE 66 HA PHE 66 -5.851 6.099 -6.032 509 HB2 PHE 66 HB1 PHE 66 -5.097 6.986 -8.198 510 HB3 PHE 66 HB2 PHE 66 -6.847 6.871 -8.101 511 HD1 PHE 66 HD1 PHE 66 -3.947 9.194 -8.215 512 HD2 PHE 66 HD2 PHE 66 -8.242 8.844 -8.262 513 HE1 PHE 66 HE1 PHE 66 -4.117 11.516 -9.044 514 HE2 PHE 66 HE2 PHE 66 -8.416 11.183 -9.068 515 HZ PHE 66 HZ PHE 66 -6.349 12.525 -9.467 516 H LEU 67 H LEU 67 -3.597 6.354 -6.804 517 HA LEU 67 HA LEU 67 -2.094 8.666 -5.771 518 HB2 LEU 67 HB1 LEU 67 -1.734 5.849 -5.052 519 HB3 LEU 67 HB2 LEU 67 -0.305 6.428 -5.932 520 HG LEU 67 HG LEU 67 -1.475 7.601 -3.379 521 HD11 LEU 67 HD11 LEU 67 1.109 6.088 -4.068 522 HD12 LEU 67 HD12 LEU 67 -0.254 5.441 -3.133 523 HD13 LEU 67 HD13 LEU 67 0.734 6.757 -2.479 524 HD21 LEU 67 HD21 LEU 67 -0.456 9.457 -4.662 525 HD22 LEU 67 HD22 LEU 67 0.976 8.467 -5.017 526 HD23 LEU 67 HD23 LEU 67 0.634 9.001 -3.358 527 H GLU 68 H GLU 68 0.141 8.703 -7.101 528 HA GLU 68 HA GLU 68 -0.022 7.470 -9.706 529 HB2 GLU 68 HB1 GLU 68 -0.303 9.327 -11.095 530 HB3 GLU 68 HB2 GLU 68 -1.627 9.409 -9.923 531 HG2 GLU 68 HG1 GLU 68 -0.182 11.080 -8.624 532 HG3 GLU 68 HG2 GLU 68 0.910 11.092 -10.025 533 H VAL 69 H VAL 69 1.759 8.064 -11.107 534 HA VAL 69 HA VAL 69 4.210 8.798 -9.631 535 HB VAL 69 HB VAL 69 3.863 6.053 -10.957 536 HG11 VAL 69 HG11 VAL 69 6.085 7.064 -9.126 537 HG12 VAL 69 HG12 VAL 69 5.949 5.431 -9.802 538 HG13 VAL 69 HG13 VAL 69 6.218 6.798 -10.879 539 HG21 VAL 69 HG21 VAL 69 3.801 6.635 -7.969 540 HG22 VAL 69 HG22 VAL 69 2.474 5.972 -8.961 541 HG23 VAL 69 HG23 VAL 69 3.933 5.031 -8.709 542 HA PRO 70 HA PRO 70 5.097 10.091 -13.829 543 HB2 PRO 70 HB1 PRO 70 7.730 10.789 -13.665 544 HB3 PRO 70 HB2 PRO 70 6.423 11.736 -12.890 545 HG2 PRO 70 HG1 PRO 70 8.193 9.617 -11.624 546 HG3 PRO 70 HG2 PRO 70 7.840 11.271 -11.007 547 HD2 PRO 70 HD1 PRO 70 6.474 9.074 -10.130 548 HD3 PRO 70 HD2 PRO 70 5.654 10.644 -10.351 549 HA PRO 71 HA PRO 71 7.289 6.719 -15.982 550 HB2 PRO 71 HB1 PRO 71 8.752 8.130 -17.860 551 HB3 PRO 71 HB2 PRO 71 7.051 7.583 -17.989 552 HG2 PRO 71 HG1 PRO 71 8.100 10.312 -17.379 553 HG3 PRO 71 HG2 PRO 71 6.587 9.830 -18.252 554 HD2 PRO 71 HD1 PRO 71 6.687 10.707 -15.621 555 HD3 PRO 71 HD2 PRO 71 5.400 9.684 -16.301 556 H LYS 72 H LYS 72 9.157 5.635 -15.803 557 HA LYS 72 HA LYS 72 11.109 4.946 -14.903 558 HB2 LYS 72 HB1 LYS 72 11.997 7.839 -15.090 559 HB3 LYS 72 HB2 LYS 72 13.057 6.431 -14.913 560 HG2 LYS 72 HG1 LYS 72 11.169 6.763 -17.273 561 HG3 LYS 72 HG2 LYS 72 12.808 7.456 -17.213 562 HD2 LYS 72 HD1 LYS 72 13.796 5.249 -17.037 563 HD3 LYS 72 HD2 LYS 72 12.215 4.477 -16.854 564 HE2 LYS 72 HE1 LYS 72 12.906 6.119 -19.314 565 HE3 LYS 72 HE2 LYS 72 13.363 4.406 -19.193 566 HZ1 LYS 72 HZ1 LYS 72 11.079 3.809 -19.036 567 HZ2 LYS 72 HZ2 LYS 72 11.179 4.882 -20.290 568 HZ3 LYS 72 HZ3 LYS 72 10.583 5.354 -18.852 569 H GLY 73 H GLY 73 8.977 6.503 -13.256 570 HA2 GLY 73 HA3 GLY 73 10.346 7.236 -10.791 571 HA3 GLY 73 HA2 GLY 73 8.594 7.262 -11.092 572 H ARG 74 H ARG 74 11.058 5.823 -9.552 573 HA ARG 74 HA ARG 74 9.497 3.419 -8.771 574 HB2 ARG 74 HB1 ARG 74 11.387 2.326 -8.457 575 HB3 ARG 74 HB2 ARG 74 12.201 3.660 -9.288 576 HG2 ARG 74 HG1 ARG 74 13.533 3.322 -7.457 577 HG3 ARG 74 HG2 ARG 74 12.537 4.644 -6.880 578 HD2 ARG 74 HD1 ARG 74 11.085 2.964 -5.696 579 HD3 ARG 74 HD2 ARG 74 12.126 1.662 -6.295 580 HE ARG 74 HE ARG 74 12.591 3.380 -4.003 581 HH11 ARG 74 HH12 ARG 74 14.380 1.603 -6.462 582 HH12 ARG 74 HH11 ARG 74 15.789 1.451 -5.446 583 HH21 ARG 74 HH22 ARG 74 14.205 3.154 -2.790 584 HH22 ARG 74 HH21 ARG 74 15.701 2.352 -3.264 585 H VAL 75 H VAL 75 8.542 3.214 -6.766 586 HA VAL 75 HA VAL 75 9.207 5.173 -4.637 587 HB VAL 75 HB VAL 75 6.790 5.604 -4.173 588 HG11 VAL 75 HG11 VAL 75 6.530 7.435 -5.722 589 HG12 VAL 75 HG12 VAL 75 8.239 7.294 -5.280 590 HG13 VAL 75 HG13 VAL 75 7.672 6.712 -6.865 591 HG21 VAL 75 HG21 VAL 75 5.659 3.861 -5.472 592 HG22 VAL 75 HG22 VAL 75 5.137 5.449 -6.017 593 HG23 VAL 75 HG23 VAL 75 6.301 4.529 -6.989 594 H GLU 76 H GLU 76 9.333 4.229 -2.675 595 HA GLU 76 HA GLU 76 8.041 1.593 -2.250 596 HB2 GLU 76 HB1 GLU 76 9.354 3.106 -0.041 597 HB3 GLU 76 HB2 GLU 76 9.201 1.351 -0.326 598 HG2 GLU 76 HG1 GLU 76 11.485 1.794 -0.549 599 HG3 GLU 76 HG2 GLU 76 10.909 1.667 -2.213 600 H LEU 77 H LEU 77 5.956 1.503 -1.513 601 HA LEU 77 HA LEU 77 4.622 3.830 -0.324 602 HB2 LEU 77 HB1 LEU 77 3.932 0.900 -0.511 603 HB3 LEU 77 HB2 LEU 77 3.075 1.973 0.641 604 HG LEU 77 HG LEU 77 2.553 3.475 -1.357 605 HD11 LEU 77 HD11 LEU 77 4.119 2.557 -3.025 606 HD12 LEU 77 HD12 LEU 77 2.455 2.341 -3.573 607 HD13 LEU 77 HD13 LEU 77 3.348 0.960 -2.902 608 HD21 LEU 77 HD21 LEU 77 0.606 2.072 -2.006 609 HD22 LEU 77 HD22 LEU 77 0.863 2.105 -0.258 610 HD23 LEU 77 HD23 LEU 77 1.356 0.676 -1.198 611 H LYS 78 H LYS 78 4.226 4.229 1.906 612 HA LYS 78 HA LYS 78 6.001 2.943 3.846 613 HB2 LYS 78 HB1 LYS 78 7.238 5.147 4.203 614 HB3 LYS 78 HB2 LYS 78 7.663 4.180 2.768 615 HG2 LYS 78 HG1 LYS 78 6.419 5.697 1.328 616 HG3 LYS 78 HG2 LYS 78 5.830 6.623 2.723 617 HD2 LYS 78 HD1 LYS 78 7.635 7.820 1.643 618 HD3 LYS 78 HD2 LYS 78 8.136 7.289 3.265 619 HE2 LYS 78 HE1 LYS 78 9.999 6.996 1.793 620 HE3 LYS 78 HE2 LYS 78 9.379 5.381 2.160 621 HZ1 LYS 78 HZ1 LYS 78 8.290 5.388 -0.003 622 HZ2 LYS 78 HZ2 LYS 78 9.879 5.634 -0.208 623 HZ3 LYS 78 HZ3 LYS 78 8.842 6.893 -0.341 624 HA PRO 79 HA PRO 79 2.687 4.220 6.403 625 HB2 PRO 79 HB1 PRO 79 3.749 4.077 8.935 626 HB3 PRO 79 HB2 PRO 79 3.363 2.650 7.927 627 HG2 PRO 79 HG1 PRO 79 6.043 4.021 8.259 628 HG3 PRO 79 HG2 PRO 79 5.676 2.261 8.357 629 HD2 PRO 79 HD1 PRO 79 6.655 3.364 6.078 630 HD3 PRO 79 HD2 PRO 79 5.381 2.108 6.011 631 H GLY 80 H GLY 80 5.699 6.106 6.785 632 HA2 GLY 80 HA3 GLY 80 4.061 8.539 7.305 633 HA3 GLY 80 HA2 GLY 80 5.834 8.470 7.193 634 H GLY 81 H GLY 81 2.802 8.356 5.396 635 HA2 GLY 81 HA3 GLY 81 3.355 9.590 3.035 636 HA3 GLY 81 HA2 GLY 81 4.084 7.984 2.804 637 H TYR 82 H TYR 82 2.792 6.189 2.663 638 HA TYR 82 HA TYR 82 -0.111 6.405 2.215 639 HB2 TYR 82 HB1 TYR 82 1.751 5.761 -0.078 640 HB3 TYR 82 HB2 TYR 82 -0.018 5.823 -0.115 641 HD1 TYR 82 HD2 TYR 82 -1.198 8.023 -0.035 642 HD2 TYR 82 HD1 TYR 82 3.096 7.727 -0.191 643 HE1 TYR 82 HE2 TYR 82 -1.061 10.435 -0.620 644 HE2 TYR 82 HE1 TYR 82 3.267 10.120 -0.739 645 HH TYR 82 HH TYR 82 2.098 12.053 -1.226 646 H HIS 83 H HIS 83 -1.122 4.369 2.062 647 HA HIS 83 HA HIS 83 0.515 1.926 2.118 648 HB2 HIS 83 HB1 HIS 83 -0.278 1.222 4.329 649 HB3 HIS 83 HB2 HIS 83 0.773 2.646 4.413 650 HD1 HIS 83 HD1 HIS 83 -0.365 4.931 5.305 651 HD2 HIS 83 HD2 HIS 83 -2.847 1.500 5.251 652 HE1 HIS 83 HE1 HIS 83 -2.415 5.473 6.702 653 H PHE 84 H PHE 84 -0.763 -0.014 2.184 654 HA PHE 84 HA PHE 84 -3.588 0.341 1.272 655 HB2 PHE 84 HB1 PHE 84 -1.612 -1.950 1.088 656 HB3 PHE 84 HB2 PHE 84 -3.360 -2.164 0.862 657 HD1 PHE 84 HD1 PHE 84 -4.401 -0.233 -0.807 658 HD2 PHE 84 HD2 PHE 84 -0.352 -1.727 -0.874 659 HE1 PHE 84 HE1 PHE 84 -4.275 0.206 -3.234 660 HE2 PHE 84 HE2 PHE 84 -0.190 -1.133 -3.286 661 HZ PHE 84 HZ PHE 84 -2.168 -0.194 -4.467 662 H MET 85 H MET 85 -4.992 0.257 2.806 663 HA MET 85 HA MET 85 -4.412 -1.082 5.396 664 HB2 MET 85 HB1 MET 85 -5.417 1.286 5.111 665 HB3 MET 85 HB2 MET 85 -6.909 0.454 4.623 666 HG2 MET 85 HG1 MET 85 -7.357 0.528 6.819 667 HG3 MET 85 HG2 MET 85 -6.363 -0.909 6.901 668 HE1 MET 85 HE1 MET 85 -3.067 0.368 8.534 669 HE2 MET 85 HE2 MET 85 -4.014 -1.060 8.060 670 HE3 MET 85 HE3 MET 85 -3.352 0.043 6.820 671 H LEU 86 H LEU 86 -5.099 -3.107 5.770 672 HA LEU 86 HA LEU 86 -6.852 -4.452 3.746 673 HB2 LEU 86 HB1 LEU 86 -4.649 -5.418 5.602 674 HB3 LEU 86 HB2 LEU 86 -5.812 -6.536 4.840 675 HG LEU 86 HG LEU 86 -3.640 -6.533 3.744 676 HD11 LEU 86 HD11 LEU 86 -5.577 -7.170 2.463 677 HD12 LEU 86 HD12 LEU 86 -4.473 -6.259 1.414 678 HD13 LEU 86 HD13 LEU 86 -5.931 -5.481 2.058 679 HD21 LEU 86 HD21 LEU 86 -3.028 -4.155 4.059 680 HD22 LEU 86 HD22 LEU 86 -4.216 -3.695 2.824 681 HD23 LEU 86 HD23 LEU 86 -2.837 -4.711 2.387 682 H LEU 87 H LEU 87 -8.825 -5.053 4.351 683 HA LEU 87 HA LEU 87 -9.518 -5.010 7.262 684 HB2 LEU 87 HB1 LEU 87 -10.325 -3.326 5.094 685 HB3 LEU 87 HB2 LEU 87 -11.735 -4.309 5.497 686 HG LEU 87 HG LEU 87 -10.174 -2.916 7.688 687 HD11 LEU 87 HD11 LEU 87 -11.567 -0.920 7.463 688 HD12 LEU 87 HD12 LEU 87 -12.338 -1.590 6.013 689 HD13 LEU 87 HD13 LEU 87 -10.611 -1.171 5.994 690 HD21 LEU 87 HD21 LEU 87 -12.364 -2.890 8.809 691 HD22 LEU 87 HD22 LEU 87 -12.023 -4.539 8.260 692 HD23 LEU 87 HD23 LEU 87 -13.155 -3.528 7.353 693 H GLY 88 H GLY 88 -11.120 -6.372 8.009 694 HA2 GLY 88 HA3 GLY 88 -12.430 -8.260 8.147 695 HA3 GLY 88 HA2 GLY 88 -12.883 -7.917 6.462 696 H LEU 89 H LEU 89 -9.776 -8.893 7.873 697 HA LEU 89 HA LEU 89 -8.865 -10.377 5.713 698 HB2 LEU 89 HB1 LEU 89 -8.187 -10.551 8.664 699 HB3 LEU 89 HB2 LEU 89 -7.260 -11.387 7.396 700 HG LEU 89 HG LEU 89 -7.570 -8.363 7.561 701 HD11 LEU 89 HD11 LEU 89 -5.239 -8.435 8.403 702 HD12 LEU 89 HD12 LEU 89 -5.306 -10.209 8.435 703 HD13 LEU 89 HD13 LEU 89 -6.346 -9.253 9.508 704 HD21 LEU 89 HD21 LEU 89 -5.791 -10.169 5.868 705 HD22 LEU 89 HD22 LEU 89 -5.575 -8.422 6.040 706 HD23 LEU 89 HD23 LEU 89 -7.050 -9.049 5.289 707 H LYS 90 H LYS 90 -8.768 -12.455 5.092 708 HA LYS 90 HA LYS 90 -10.849 -14.293 6.001 709 HB2 LYS 90 HB1 LYS 90 -8.493 -14.809 4.169 710 HB3 LYS 90 HB2 LYS 90 -9.972 -15.779 4.290 711 HG2 LYS 90 HG1 LYS 90 -9.675 -12.987 3.147 712 HG3 LYS 90 HG2 LYS 90 -9.980 -14.508 2.264 713 HD2 LYS 90 HD1 LYS 90 -12.030 -13.445 2.215 714 HD3 LYS 90 HD2 LYS 90 -12.231 -14.576 3.549 715 HE2 LYS 90 HE1 LYS 90 -12.313 -12.862 5.115 716 HE3 LYS 90 HE2 LYS 90 -11.105 -11.877 4.209 717 HZ1 LYS 90 HZ1 LYS 90 -13.929 -12.073 3.485 718 HZ2 LYS 90 HZ2 LYS 90 -12.712 -11.250 2.697 719 HZ3 LYS 90 HZ3 LYS 90 -13.137 -10.810 4.225 720 H ARG 91 H ARG 91 -7.786 -13.604 7.239 721 HA ARG 91 HA ARG 91 -8.080 -15.509 9.335 722 HB2 ARG 91 HB1 ARG 91 -5.823 -16.610 9.005 723 HB3 ARG 91 HB2 ARG 91 -7.103 -17.157 7.904 724 HG2 ARG 91 HG1 ARG 91 -6.160 -16.057 6.057 725 HG3 ARG 91 HG2 ARG 91 -5.162 -14.974 7.046 726 HD2 ARG 91 HD1 ARG 91 -4.728 -17.974 6.870 727 HD3 ARG 91 HD2 ARG 91 -3.892 -16.755 5.875 728 HE ARG 91 HE ARG 91 -3.758 -16.270 8.761 729 HH11 ARG 91 HH12 ARG 91 -1.894 -17.651 6.027 730 HH12 ARG 91 HH11 ARG 91 -0.432 -17.555 7.010 731 HH21 ARG 91 HH22 ARG 91 -1.852 -16.165 9.762 732 HH22 ARG 91 HH21 ARG 91 -0.379 -16.584 8.878 733 HA PRO 92 HA PRO 92 -5.219 -12.449 11.195 734 HB2 PRO 92 HB1 PRO 92 -4.327 -13.865 13.355 735 HB3 PRO 92 HB2 PRO 92 -5.963 -13.144 13.292 736 HG2 PRO 92 HG1 PRO 92 -5.164 -16.000 12.677 737 HG3 PRO 92 HG2 PRO 92 -6.513 -15.424 13.720 738 HD2 PRO 92 HD1 PRO 92 -6.899 -16.179 11.119 739 HD3 PRO 92 HD2 PRO 92 -7.812 -14.823 11.848 740 H LEU 93 H LEU 93 -2.947 -12.152 11.182 741 HA LEU 93 HA LEU 93 -1.477 -14.046 9.494 742 HB2 LEU 93 HB1 LEU 93 -0.712 -11.388 10.700 743 HB3 LEU 93 HB2 LEU 93 0.334 -12.403 9.670 744 HG LEU 93 HG LEU 93 -0.391 -10.764 8.240 745 HD11 LEU 93 HD11 LEU 93 -1.798 -11.781 6.574 746 HD12 LEU 93 HD12 LEU 93 -2.518 -12.886 7.759 747 HD13 LEU 93 HD13 LEU 93 -0.805 -13.056 7.307 748 HD21 LEU 93 HD21 LEU 93 -2.035 -9.674 9.661 749 HD22 LEU 93 HD22 LEU 93 -3.225 -10.948 9.305 750 HD23 LEU 93 HD23 LEU 93 -2.646 -9.880 8.014 751 H LYS 94 H LYS 94 0.552 -14.936 9.980 752 HA LYS 94 HA LYS 94 1.162 -15.418 12.860 753 HB2 LYS 94 HB1 LYS 94 0.048 -17.281 11.716 754 HB3 LYS 94 HB2 LYS 94 1.252 -17.292 10.448 755 HG2 LYS 94 HG1 LYS 94 2.083 -17.684 13.315 756 HG3 LYS 94 HG2 LYS 94 1.289 -19.020 12.445 757 HD2 LYS 94 HD1 LYS 94 3.829 -17.659 11.506 758 HD3 LYS 94 HD2 LYS 94 3.755 -19.135 12.530 759 HE2 LYS 94 HE1 LYS 94 4.048 -20.117 10.514 760 HE3 LYS 94 HE2 LYS 94 2.290 -20.072 10.541 761 HZ1 LYS 94 HZ1 LYS 94 3.978 -18.001 9.242 762 HZ2 LYS 94 HZ2 LYS 94 2.362 -18.196 9.021 763 HZ3 LYS 94 HZ3 LYS 94 3.413 -19.297 8.430 764 H ALA 95 H ALA 95 2.322 -14.650 9.735 765 HA ALA 95 HA ALA 95 4.212 -13.546 8.990 766 HB1 ALA 95 HB1 ALA 95 4.596 -12.652 11.373 767 HB2 ALA 95 HB2 ALA 95 5.673 -14.034 11.609 768 HB3 ALA 95 HB3 ALA 95 6.030 -12.840 10.351 769 H GLY 96 H GLY 96 6.435 -14.160 8.232 770 HA2 GLY 96 HA3 GLY 96 7.759 -15.756 7.179 771 HA3 GLY 96 HA2 GLY 96 7.416 -16.845 8.542 772 H GLU 97 H GLU 97 5.464 -15.350 5.914 773 HA GLU 97 HA GLU 97 4.726 -17.747 4.548 774 HB2 GLU 97 HB1 GLU 97 2.319 -17.369 5.059 775 HB3 GLU 97 HB2 GLU 97 3.280 -17.905 6.449 776 HG2 GLU 97 HG1 GLU 97 3.412 -15.392 7.051 777 HG3 GLU 97 HG2 GLU 97 2.088 -15.194 5.893 778 H GLU 98 H GLU 98 3.263 -17.074 2.795 779 HA GLU 98 HA GLU 98 4.126 -14.412 1.737 780 HB2 GLU 98 HB1 GLU 98 3.661 -17.087 0.389 781 HB3 GLU 98 HB2 GLU 98 3.935 -15.570 -0.500 782 HG2 GLU 98 HG1 GLU 98 6.136 -15.319 0.434 783 HG3 GLU 98 HG2 GLU 98 5.891 -16.661 1.569 784 H VAL 99 H VAL 99 2.799 -13.373 0.198 785 HA VAL 99 HA VAL 99 -0.120 -14.007 0.104 786 HB VAL 99 HB VAL 99 1.130 -11.325 0.895 787 HG11 VAL 99 HG11 VAL 99 -1.314 -10.599 1.156 788 HG12 VAL 99 HG12 VAL 99 -0.747 -10.756 -0.497 789 HG13 VAL 99 HG13 VAL 99 -1.745 -12.046 0.226 790 HG21 VAL 99 HG21 VAL 99 -0.189 -11.608 2.992 791 HG22 VAL 99 HG22 VAL 99 -0.677 -13.228 2.449 792 HG23 VAL 99 HG23 VAL 99 1.024 -12.869 2.782 793 H GLU 100 H GLU 100 -0.840 -13.878 -1.939 794 HA GLU 100 HA GLU 100 0.612 -12.469 -4.087 795 HB2 GLU 100 HB1 GLU 100 -2.025 -13.944 -3.897 796 HB3 GLU 100 HB2 GLU 100 -1.651 -12.873 -5.282 797 HG2 GLU 100 HG1 GLU 100 0.466 -14.271 -5.592 798 HG3 GLU 100 HG2 GLU 100 -0.256 -15.436 -4.472 799 H LEU 101 H LEU 101 0.158 -10.431 -4.888 800 HA LEU 101 HA LEU 101 -2.432 -9.264 -4.307 801 HB2 LEU 101 HB1 LEU 101 -0.998 -8.669 -2.377 802 HB3 LEU 101 HB2 LEU 101 0.051 -7.756 -3.449 803 HG LEU 101 HG LEU 101 -2.866 -7.169 -2.984 804 HD11 LEU 101 HD11 LEU 101 -0.432 -5.890 -1.691 805 HD12 LEU 101 HD12 LEU 101 -1.617 -6.956 -0.896 806 HD13 LEU 101 HD13 LEU 101 -2.122 -5.366 -1.490 807 HD21 LEU 101 HD21 LEU 101 -2.510 -5.884 -4.833 808 HD22 LEU 101 HD22 LEU 101 -0.736 -5.979 -4.720 809 HD23 LEU 101 HD23 LEU 101 -1.611 -4.799 -3.757 810 H ASP 102 H ASP 102 -3.191 -8.087 -5.845 811 HA ASP 102 HA ASP 102 -1.639 -7.629 -8.350 812 HB2 ASP 102 HB1 ASP 102 -4.368 -8.413 -7.520 813 HB3 ASP 102 HB2 ASP 102 -4.331 -7.274 -8.855 814 H LEU 103 H LEU 103 -0.900 -5.619 -8.561 815 HA LEU 103 HA LEU 103 -1.988 -3.291 -7.161 816 HB2 LEU 103 HB1 LEU 103 0.096 -3.519 -9.365 817 HB3 LEU 103 HB2 LEU 103 -0.167 -2.108 -8.333 818 HG LEU 103 HG LEU 103 0.868 -4.836 -7.425 819 HD11 LEU 103 HD11 LEU 103 2.438 -3.640 -8.887 820 HD12 LEU 103 HD12 LEU 103 3.032 -3.679 -7.226 821 HD13 LEU 103 HD13 LEU 103 2.313 -2.189 -7.870 822 HD21 LEU 103 HD21 LEU 103 -0.369 -3.609 -5.624 823 HD22 LEU 103 HD22 LEU 103 0.696 -2.210 -5.873 824 HD23 LEU 103 HD23 LEU 103 1.355 -3.761 -5.294 825 H LEU 104 H LEU 104 -3.659 -2.100 -7.895 826 HA LEU 104 HA LEU 104 -4.664 -2.616 -10.643 827 HB2 LEU 104 HB1 LEU 104 -5.967 -1.067 -8.386 828 HB3 LEU 104 HB2 LEU 104 -6.739 -1.692 -9.848 829 HG LEU 104 HG LEU 104 -5.745 -3.238 -7.495 830 HD11 LEU 104 HD11 LEU 104 -7.909 -2.121 -7.173 831 HD12 LEU 104 HD12 LEU 104 -8.130 -3.877 -7.251 832 HD13 LEU 104 HD13 LEU 104 -8.536 -2.871 -8.657 833 HD21 LEU 104 HD21 LEU 104 -6.678 -5.277 -8.627 834 HD22 LEU 104 HD22 LEU 104 -5.270 -4.616 -9.452 835 HD23 LEU 104 HD23 LEU 104 -6.896 -4.318 -10.108 836 H PHE 105 H PHE 105 -4.254 -1.207 -12.267 837 HA PHE 105 HA PHE 105 -3.543 1.606 -11.518 838 HB2 PHE 105 HB1 PHE 105 -2.490 -0.163 -13.708 839 HB3 PHE 105 HB2 PHE 105 -2.219 1.586 -13.660 840 HD1 PHE 105 HD2 PHE 105 -0.863 2.600 -11.819 841 HD2 PHE 105 HD1 PHE 105 -1.267 -1.664 -12.270 842 HE1 PHE 105 HE2 PHE 105 1.172 2.271 -10.448 843 HE2 PHE 105 HE1 PHE 105 0.808 -1.986 -10.942 844 HZ PHE 105 HZ PHE 105 2.028 -0.032 -10.037 845 H ALA 106 H ALA 106 -4.620 3.085 -12.179 846 HA ALA 106 HA ALA 106 -6.093 4.518 -13.030 847 HB1 ALA 106 HB1 ALA 106 -5.704 5.006 -15.346 848 HB2 ALA 106 HB2 ALA 106 -4.192 4.431 -14.634 849 HB3 ALA 106 HB3 ALA 106 -5.153 3.343 -15.665 850 H GLY 107 H GLY 107 -7.076 1.334 -13.511 851 HA2 GLY 107 HA3 GLY 107 -9.371 0.616 -13.778 852 HA3 GLY 107 HA2 GLY 107 -9.694 2.099 -14.705 853 H GLY 108 H GLY 108 -6.661 0.794 -15.553 854 HA2 GLY 108 HA3 GLY 108 -7.778 -0.673 -17.890 855 HA3 GLY 108 HA2 GLY 108 -6.732 0.744 -18.140 856 H LYS 109 H LYS 109 -5.359 -0.780 -15.509 857 HA LYS 109 HA LYS 109 -4.056 -3.027 -16.897 858 HB2 LYS 109 HB1 LYS 109 -2.852 -0.445 -16.528 859 HB3 LYS 109 HB2 LYS 109 -2.089 -1.551 -15.349 860 HG2 LYS 109 HG1 LYS 109 -0.763 -1.423 -17.309 861 HG3 LYS 109 HG2 LYS 109 -1.412 -3.054 -17.110 862 HD2 LYS 109 HD1 LYS 109 -1.403 -2.418 -19.454 863 HD3 LYS 109 HD2 LYS 109 -3.073 -2.575 -18.899 864 HE2 LYS 109 HE1 LYS 109 -2.826 0.040 -18.456 865 HE3 LYS 109 HE2 LYS 109 -1.464 -0.086 -19.581 866 HZ1 LYS 109 HZ1 LYS 109 -4.275 -0.879 -20.097 867 HZ2 LYS 109 HZ2 LYS 109 -3.057 -1.043 -21.192 868 HZ3 LYS 109 HZ3 LYS 109 -3.543 0.457 -20.715 869 H VAL 110 H VAL 110 -3.121 -4.582 -15.409 870 HA VAL 110 HA VAL 110 -3.018 -3.928 -12.599 871 HB VAL 110 HB VAL 110 -5.186 -4.851 -12.693 872 HG11 VAL 110 HG11 VAL 110 -5.787 -7.066 -13.515 873 HG12 VAL 110 HG12 VAL 110 -5.178 -6.037 -14.814 874 HG13 VAL 110 HG13 VAL 110 -4.140 -7.310 -14.127 875 HG21 VAL 110 HG21 VAL 110 -5.043 -6.727 -11.155 876 HG22 VAL 110 HG22 VAL 110 -3.396 -7.112 -11.690 877 HG23 VAL 110 HG23 VAL 110 -3.708 -5.618 -10.794 878 H LEU 111 H LEU 111 -1.178 -4.638 -11.747 879 HA LEU 111 HA LEU 111 0.495 -6.650 -13.208 880 HB2 LEU 111 HB1 LEU 111 1.081 -4.163 -11.581 881 HB3 LEU 111 HB2 LEU 111 2.327 -5.387 -11.897 882 HG LEU 111 HG LEU 111 2.472 -3.402 -13.275 883 HD11 LEU 111 HD11 LEU 111 1.917 -5.918 -14.904 884 HD12 LEU 111 HD12 LEU 111 3.424 -5.557 -14.031 885 HD13 LEU 111 HD13 LEU 111 2.933 -4.548 -15.399 886 HD21 LEU 111 HD21 LEU 111 0.042 -4.245 -14.862 887 HD22 LEU 111 HD22 LEU 111 1.081 -2.837 -15.110 888 HD23 LEU 111 HD23 LEU 111 0.053 -2.920 -13.673 889 H LYS 112 H LYS 112 1.144 -8.440 -12.022 890 HA LYS 112 HA LYS 112 0.120 -8.688 -9.253 891 HB2 LYS 112 HB1 LYS 112 -0.213 -10.503 -10.871 892 HB3 LYS 112 HB2 LYS 112 1.541 -10.702 -11.033 893 HG2 LYS 112 HG1 LYS 112 1.729 -11.311 -8.679 894 HG3 LYS 112 HG2 LYS 112 0.014 -10.974 -8.394 895 HD2 LYS 112 HD1 LYS 112 1.151 -13.141 -10.207 896 HD3 LYS 112 HD2 LYS 112 0.489 -13.400 -8.580 897 HE2 LYS 112 HE1 LYS 112 -1.054 -12.421 -11.027 898 HE3 LYS 112 HE2 LYS 112 -1.110 -14.060 -10.314 899 HZ1 LYS 112 HZ1 LYS 112 -1.956 -13.083 -8.303 900 HZ2 LYS 112 HZ2 LYS 112 -2.967 -12.780 -9.551 901 HZ3 LYS 112 HZ3 LYS 112 -2.015 -11.562 -9.005 902 H VAL 113 H VAL 113 1.317 -8.533 -7.446 903 HA VAL 113 HA VAL 113 4.258 -9.028 -7.601 904 HB VAL 113 HB VAL 113 4.586 -7.684 -5.579 905 HG11 VAL 113 HG11 VAL 113 5.066 -6.754 -7.817 906 HG12 VAL 113 HG12 VAL 113 3.433 -6.061 -7.883 907 HG13 VAL 113 HG13 VAL 113 4.597 -5.499 -6.662 908 HG21 VAL 113 HG21 VAL 113 1.776 -6.579 -5.988 909 HG22 VAL 113 HG22 VAL 113 2.268 -7.668 -4.672 910 HG23 VAL 113 HG23 VAL 113 2.965 -6.049 -4.788 911 H VAL 114 H VAL 114 5.094 -9.951 -5.561 912 HA VAL 114 HA VAL 114 3.076 -11.427 -3.969 913 HB VAL 114 HB VAL 114 4.093 -13.029 -5.561 914 HG11 VAL 114 HG11 VAL 114 6.409 -13.748 -5.369 915 HG12 VAL 114 HG12 VAL 114 6.356 -12.029 -5.789 916 HG13 VAL 114 HG13 VAL 114 6.734 -12.529 -4.124 917 HG21 VAL 114 HG21 VAL 114 3.243 -13.755 -3.357 918 HG22 VAL 114 HG22 VAL 114 4.588 -14.760 -3.916 919 HG23 VAL 114 HG23 VAL 114 4.864 -13.543 -2.657 920 H LEU 115 H LEU 115 3.543 -11.479 -1.809 921 HA LEU 115 HA LEU 115 5.802 -9.770 -0.846 922 HB2 LEU 115 HB1 LEU 115 2.860 -9.632 -0.079 923 HB3 LEU 115 HB2 LEU 115 4.144 -8.622 0.598 924 HG LEU 115 HG LEU 115 3.184 -8.551 -2.303 925 HD11 LEU 115 HD11 LEU 115 2.123 -6.415 -1.671 926 HD12 LEU 115 HD12 LEU 115 2.606 -6.663 0.020 927 HD13 LEU 115 HD13 LEU 115 1.449 -7.769 -0.750 928 HD21 LEU 115 HD21 LEU 115 4.952 -6.567 -0.817 929 HD22 LEU 115 HD22 LEU 115 4.475 -6.507 -2.522 930 HD23 LEU 115 HD23 LEU 115 5.575 -7.771 -1.958 931 HA PRO 116 HA PRO 116 5.617 -12.903 2.494 932 HB2 PRO 116 HB1 PRO 116 7.687 -12.084 4.025 933 HB3 PRO 116 HB2 PRO 116 7.952 -12.842 2.423 934 HG2 PRO 116 HG1 PRO 116 7.886 -9.879 3.087 935 HG3 PRO 116 HG2 PRO 116 9.134 -10.770 2.148 936 HD2 PRO 116 HD1 PRO 116 7.052 -9.412 0.964 937 HD3 PRO 116 HD2 PRO 116 7.739 -10.899 0.263 938 H VAL 117 H VAL 117 4.689 -12.906 4.557 939 HA VAL 117 HA VAL 117 3.715 -10.403 5.740 940 HB VAL 117 HB VAL 117 3.427 -13.269 6.656 941 HG11 VAL 117 HG11 VAL 117 1.603 -12.418 7.991 942 HG12 VAL 117 HG12 VAL 117 3.120 -11.638 8.446 943 HG13 VAL 117 HG13 VAL 117 1.944 -10.750 7.447 944 HG21 VAL 117 HG21 VAL 117 1.085 -13.093 5.777 945 HG22 VAL 117 HG22 VAL 117 1.505 -11.540 5.038 946 HG23 VAL 117 HG23 VAL 117 2.309 -13.039 4.509 947 H GLU 118 H GLU 118 4.963 -9.344 7.130 948 HA GLU 118 HA GLU 118 7.020 -10.719 8.814 949 HB2 GLU 118 HB1 GLU 118 7.392 -8.263 7.068 950 HB3 GLU 118 HB2 GLU 118 8.609 -8.972 8.156 951 HG2 GLU 118 HG1 GLU 118 8.532 -11.073 6.773 952 HG3 GLU 118 HG2 GLU 118 7.463 -10.223 5.628 953 H ALA 119 H ALA 119 7.954 -9.294 10.479 954 HA ALA 119 HA ALA 119 6.070 -7.239 11.538 955 HB1 ALA 119 HB1 ALA 119 7.311 -7.532 13.662 956 HB2 ALA 119 HB2 ALA 119 6.585 -9.065 13.123 957 HB3 ALA 119 HB3 ALA 119 8.326 -8.772 12.902 958 H ARG 120 H ARG 120 6.690 -5.180 11.410 959 HA ARG 120 HA ARG 120 9.295 -4.048 11.002 960 HB2 ARG 120 HB1 ARG 120 7.364 -4.165 8.639 961 HB3 ARG 120 HB2 ARG 120 8.839 -3.172 8.729 962 HG2 ARG 120 HG1 ARG 120 10.144 -5.342 8.917 963 HG3 ARG 120 HG2 ARG 120 8.635 -6.193 8.503 964 HD2 ARG 120 HD1 ARG 120 8.481 -4.886 6.410 965 HD3 ARG 120 HD2 ARG 120 10.020 -4.101 6.777 966 HE ARG 120 HE ARG 120 9.583 -6.846 5.789 967 HH11 ARG 120 HH12 ARG 120 11.936 -4.822 7.349 968 HH12 ARG 120 HH11 ARG 120 13.259 -5.880 6.887 969 HH21 ARG 120 HH22 ARG 120 11.178 -8.182 5.436 970 HH22 ARG 120 HH21 ARG 120 12.818 -7.786 5.819 Start of MODEL 23 1 H1 GLY 1 1H GLY 1 20.930 1.575 -0.809 2 H2 GLY 1 2H GLY 1 21.948 2.807 -0.357 3 H3 GLY 1 3H GLY 1 20.770 2.251 0.666 4 HA2 GLY 1 HA3 GLY 1 23.109 0.690 -0.217 5 HA3 GLY 1 HA2 GLY 1 22.878 1.390 1.402 6 H SER 2 H SER 2 22.457 -1.427 -0.375 7 HA SER 2 HA SER 2 20.775 -2.911 -0.862 8 HB2 SER 2 HB1 SER 2 20.242 -3.021 1.635 9 HB3 SER 2 HB2 SER 2 18.984 -1.810 1.318 10 HG SER 2 HG SER 2 17.802 -3.389 0.542 11 H PHE 3 H PHE 3 18.437 -2.762 -1.622 12 HA PHE 3 HA PHE 3 17.588 -0.043 -2.505 13 HB2 PHE 3 HB1 PHE 3 16.698 -2.740 -3.588 14 HB3 PHE 3 HB2 PHE 3 16.254 -1.149 -4.215 15 HD1 PHE 3 HD2 PHE 3 18.109 0.311 -5.259 16 HD2 PHE 3 HD1 PHE 3 18.658 -3.867 -4.335 17 HE1 PHE 3 HE2 PHE 3 20.102 0.239 -6.737 18 HE2 PHE 3 HE1 PHE 3 20.657 -3.928 -5.803 19 HZ PHE 3 HZ PHE 3 21.385 -1.875 -7.002 20 H THR 4 H THR 4 15.110 0.164 -2.291 21 HA THR 4 HA THR 4 14.097 -1.299 0.103 22 HB THR 4 HB THR 4 12.348 0.402 0.217 23 HG1 THR 4 HG1 THR 4 12.256 2.023 -1.024 24 HG21 THR 4 HG21 THR 4 15.126 1.656 0.167 25 HG22 THR 4 HG22 THR 4 14.445 0.703 1.510 26 HG23 THR 4 HG23 THR 4 13.696 2.240 1.044 27 H GLU 5 H GLU 5 11.663 -1.673 -0.008 28 HA GLU 5 HA GLU 5 10.798 -2.914 -2.509 29 HB2 GLU 5 HB1 GLU 5 12.756 -4.255 -1.502 30 HB3 GLU 5 HB2 GLU 5 11.624 -4.703 -0.218 31 HG2 GLU 5 HG1 GLU 5 10.093 -5.355 -2.332 32 HG3 GLU 5 HG2 GLU 5 11.669 -5.472 -3.134 33 H GLY 6 H GLY 6 9.488 -5.003 -0.364 34 HA2 GLY 6 HA3 GLY 6 7.726 -3.144 1.072 35 HA3 GLY 6 HA2 GLY 6 6.959 -4.201 -0.136 36 H TRP 7 H TRP 7 5.882 -4.515 2.092 37 HA TRP 7 HA TRP 7 6.208 -7.216 2.651 38 HB2 TRP 7 HB1 TRP 7 6.755 -7.300 4.980 39 HB3 TRP 7 HB2 TRP 7 8.106 -6.650 4.095 40 HD1 TRP 7 HD TRP 7 5.693 -5.977 6.835 41 HE1 TRP 7 HE1 TRP 7 6.291 -3.855 8.119 42 HE3 TRP 7 3HE TRP 7 9.264 -4.137 3.676 43 HZ2 TRP 7 HZ2 TRP 7 7.961 -1.517 7.706 44 HZ3 TRP 7 HZ3 TRP 7 10.366 -1.970 4.160 45 HH2 TRP 7 HH TRP 7 9.717 -0.642 6.156 46 H VAL 8 H VAL 8 4.527 -8.077 4.026 47 HA VAL 8 HA VAL 8 2.283 -6.142 4.567 48 HB VAL 8 HB VAL 8 2.131 -9.143 4.292 49 HG11 VAL 8 HG11 VAL 8 -0.319 -8.762 4.232 50 HG12 VAL 8 HG12 VAL 8 0.370 -8.186 5.755 51 HG13 VAL 8 HG13 VAL 8 -0.052 -7.029 4.478 52 HG21 VAL 8 HG21 VAL 8 2.616 -8.327 2.109 53 HG22 VAL 8 HG22 VAL 8 0.851 -8.461 2.141 54 HG23 VAL 8 HG23 VAL 8 1.618 -6.882 2.336 55 H ARG 9 H ARG 9 1.645 -5.764 6.596 56 HA ARG 9 HA ARG 9 3.921 -5.889 8.137 57 HB2 ARG 9 HB1 ARG 9 3.065 -4.151 9.335 58 HB3 ARG 9 HB2 ARG 9 2.290 -4.057 7.731 59 HG2 ARG 9 HG1 ARG 9 0.635 -3.417 9.148 60 HG3 ARG 9 HG2 ARG 9 0.242 -5.107 8.841 61 HD2 ARG 9 HD1 ARG 9 -0.108 -4.419 11.188 62 HD3 ARG 9 HD2 ARG 9 1.073 -5.723 11.041 63 HE ARG 9 HE ARG 9 2.678 -3.489 11.127 64 HH11 ARG 9 HH12 ARG 9 0.271 -4.885 13.295 65 HH12 ARG 9 HH11 ARG 9 1.055 -4.210 14.704 66 HH21 ARG 9 HH22 ARG 9 3.605 -2.661 12.918 67 HH22 ARG 9 HH21 ARG 9 2.923 -2.905 14.487 68 H PHE 10 H PHE 10 1.805 -8.295 8.355 69 HA PHE 10 HA PHE 10 1.330 -10.021 9.716 70 HB2 PHE 10 HB1 PHE 10 3.268 -10.791 10.377 71 HB3 PHE 10 HB2 PHE 10 3.960 -9.201 10.656 72 HD1 PHE 10 HD2 PHE 10 1.914 -11.912 12.225 73 HD2 PHE 10 HD1 PHE 10 4.134 -8.279 12.863 74 HE1 PHE 10 HE2 PHE 10 1.663 -12.195 14.669 75 HE2 PHE 10 HE1 PHE 10 3.948 -8.605 15.315 76 HZ PHE 10 HZ PHE 10 2.710 -10.558 16.224 77 H SER 11 H SER 11 -0.565 -10.225 10.858 78 HA SER 11 HA SER 11 -0.949 -9.075 13.419 79 HB2 SER 11 HB1 SER 11 -2.110 -7.700 11.004 80 HB3 SER 11 HB2 SER 11 -3.055 -7.800 12.497 81 HG SER 11 HG SER 11 -0.357 -6.998 12.464 82 HA PRO 12 HA PRO 12 -4.163 -12.280 12.969 83 HB2 PRO 12 HB1 PRO 12 -4.584 -12.860 15.550 84 HB3 PRO 12 HB2 PRO 12 -2.978 -13.159 14.820 85 HG2 PRO 12 HG1 PRO 12 -3.858 -10.744 16.442 86 HG3 PRO 12 HG2 PRO 12 -2.393 -11.764 16.689 87 HD2 PRO 12 HD1 PRO 12 -2.394 -9.400 15.239 88 HD3 PRO 12 HD2 PRO 12 -1.296 -10.769 14.890 89 H GLY 13 H GLY 13 -4.673 -9.055 14.030 90 HA2 GLY 13 HA3 GLY 13 -7.423 -9.353 14.967 91 HA3 GLY 13 HA2 GLY 13 -6.556 -7.838 14.628 92 HA PRO 14 HA PRO 14 -9.638 -9.287 11.262 93 HB2 PRO 14 HB1 PRO 14 -11.670 -7.456 11.517 94 HB3 PRO 14 HB2 PRO 14 -11.571 -8.969 12.469 95 HG2 PRO 14 HG1 PRO 14 -10.644 -6.198 13.288 96 HG3 PRO 14 HG2 PRO 14 -11.684 -7.336 14.218 97 HD2 PRO 14 HD1 PRO 14 -9.015 -7.174 14.690 98 HD3 PRO 14 HD2 PRO 14 -9.840 -8.760 14.683 99 H ASN 15 H ASN 15 -8.028 -6.303 11.948 100 HA ASN 15 HA ASN 15 -8.030 -5.621 9.062 101 HB2 ASN 15 HB1 ASN 15 -8.020 -3.712 11.424 102 HB3 ASN 15 HB2 ASN 15 -7.677 -3.236 9.743 103 HD21 ASN 15 HD21 ASN 15 -9.552 -1.780 10.840 104 HD22 ASN 15 HD22 ASN 15 -11.137 -2.277 10.258 105 H ALA 16 H ALA 16 -6.079 -4.729 8.283 106 HA ALA 16 HA ALA 16 -3.645 -4.595 9.858 107 HB1 ALA 16 HB1 ALA 16 -2.453 -6.436 8.747 108 HB2 ALA 16 HB2 ALA 16 -3.895 -7.058 9.558 109 HB3 ALA 16 HB3 ALA 16 -3.902 -6.835 7.802 110 H ALA 17 H ALA 17 -1.767 -4.761 7.769 111 HA ALA 17 HA ALA 17 -2.659 -2.926 5.663 112 HB1 ALA 17 HB1 ALA 17 -1.000 -1.234 6.147 113 HB2 ALA 17 HB2 ALA 17 -1.910 -1.506 7.647 114 HB3 ALA 17 HB3 ALA 17 -0.295 -2.203 7.446 115 H ALA 18 H ALA 18 -1.227 -2.730 3.898 116 HA ALA 18 HA ALA 18 1.184 -4.488 3.849 117 HB1 ALA 18 HB1 ALA 18 -0.549 -5.612 2.550 118 HB2 ALA 18 HB2 ALA 18 -0.880 -4.138 1.630 119 HB3 ALA 18 HB3 ALA 18 0.679 -4.955 1.450 120 H TYR 19 H TYR 19 3.002 -3.674 2.997 121 HA TYR 19 HA TYR 19 2.996 -0.871 1.932 122 HB2 TYR 19 HB1 TYR 19 5.287 -2.212 3.362 123 HB3 TYR 19 HB2 TYR 19 5.043 -0.495 3.078 124 HD1 TYR 19 HD1 TYR 19 2.585 0.307 4.232 125 HD2 TYR 19 HD2 TYR 19 5.163 -2.883 5.495 126 HE1 TYR 19 HE1 TYR 19 1.561 0.389 6.511 127 HE2 TYR 19 HE2 TYR 19 4.259 -2.739 7.797 128 HH TYR 19 HH TYR 19 1.610 -0.470 8.663 129 H LEU 20 H LEU 20 4.526 -0.435 0.245 130 HA LEU 20 HA LEU 20 6.294 -2.425 -0.763 131 HB2 LEU 20 HB1 LEU 20 5.285 -2.945 -2.896 132 HB3 LEU 20 HB2 LEU 20 4.270 -3.500 -1.548 133 HG LEU 20 HG LEU 20 2.904 -1.307 -1.992 134 HD11 LEU 20 HD11 LEU 20 2.862 -0.662 -4.378 135 HD12 LEU 20 HD12 LEU 20 4.268 -1.701 -4.708 136 HD13 LEU 20 HD13 LEU 20 4.420 -0.268 -3.670 137 HD21 LEU 20 HD21 LEU 20 1.618 -2.554 -3.781 138 HD22 LEU 20 HD22 LEU 20 1.956 -3.493 -2.326 139 HD23 LEU 20 HD23 LEU 20 2.915 -3.762 -3.805 140 H THR 21 H THR 21 7.575 -1.853 -2.538 141 HA THR 21 HA THR 21 7.594 1.050 -3.161 142 HB THR 21 HB THR 21 9.651 -1.072 -3.878 143 HG1 THR 21 HG1 THR 21 9.531 -0.536 -1.630 144 HG21 THR 21 HG21 THR 21 9.746 0.760 -5.459 145 HG22 THR 21 HG22 THR 21 10.974 1.124 -4.223 146 HG23 THR 21 HG23 THR 21 9.440 1.970 -4.183 147 H LEU 22 H LEU 22 6.503 1.693 -4.808 148 HA LEU 22 HA LEU 22 5.589 -0.104 -6.988 149 HB2 LEU 22 HB1 LEU 22 4.108 1.420 -5.534 150 HB3 LEU 22 HB2 LEU 22 4.860 2.793 -6.337 151 HG LEU 22 HG LEU 22 2.714 2.455 -7.233 152 HD11 LEU 22 HD11 LEU 22 3.078 2.346 -9.546 153 HD12 LEU 22 HD12 LEU 22 4.421 1.207 -9.387 154 HD13 LEU 22 HD13 LEU 22 4.620 2.902 -8.872 155 HD21 LEU 22 HD21 LEU 22 2.428 0.086 -6.510 156 HD22 LEU 22 HD22 LEU 22 3.395 -0.436 -7.906 157 HD23 LEU 22 HD23 LEU 22 1.842 0.407 -8.136 158 H GLU 23 H GLU 23 6.485 0.146 -9.048 159 HA GLU 23 HA GLU 23 7.611 2.749 -9.683 160 HB2 GLU 23 HB1 GLU 23 9.734 2.042 -10.454 161 HB3 GLU 23 HB2 GLU 23 9.520 1.575 -8.747 162 HG2 GLU 23 HG1 GLU 23 8.944 -0.756 -9.590 163 HG3 GLU 23 HG2 GLU 23 9.515 -0.232 -11.185 164 H ASN 24 H ASN 24 7.720 3.345 -11.685 165 HA ASN 24 HA ASN 24 6.263 1.681 -13.685 166 HB2 ASN 24 HB1 ASN 24 5.193 3.745 -12.973 167 HB3 ASN 24 HB2 ASN 24 6.641 4.678 -13.378 168 HD21 ASN 24 HD21 ASN 24 5.118 5.879 -14.663 169 HD22 ASN 24 HD22 ASN 24 4.748 5.302 -16.298 170 HA PRO 25 HA PRO 25 10.375 1.961 -15.673 171 HB2 PRO 25 HB1 PRO 25 10.255 -0.275 -17.219 172 HB3 PRO 25 HB2 PRO 25 10.498 -0.371 -15.448 173 HG2 PRO 25 HG1 PRO 25 7.887 -0.639 -16.972 174 HG3 PRO 25 HG2 PRO 25 8.550 -1.753 -15.726 175 HD2 PRO 25 HD1 PRO 25 6.723 0.204 -15.136 176 HD3 PRO 25 HD2 PRO 25 8.015 -0.249 -13.989 177 H GLY 26 H GLY 26 7.187 2.314 -16.941 178 HA2 GLY 26 HA3 GLY 26 7.886 2.395 -19.757 179 HA3 GLY 26 HA2 GLY 26 6.320 2.780 -19.009 180 H ASP 27 H ASP 27 6.959 4.268 -21.028 181 HA ASP 27 HA ASP 27 8.135 6.838 -20.121 182 HB2 ASP 27 HB1 ASP 27 7.541 5.681 -22.859 183 HB3 ASP 27 HB2 ASP 27 8.206 7.307 -22.566 184 H LEU 28 H LEU 28 5.157 5.507 -20.161 185 HA LEU 28 HA LEU 28 3.844 8.168 -20.142 186 HB2 LEU 28 HB1 LEU 28 1.735 7.111 -20.681 187 HB3 LEU 28 HB2 LEU 28 2.962 6.837 -21.948 188 HG LEU 28 HG LEU 28 3.257 4.495 -20.949 189 HD11 LEU 28 HD11 LEU 28 0.698 5.322 -19.500 190 HD12 LEU 28 HD12 LEU 28 2.176 4.651 -18.780 191 HD13 LEU 28 HD13 LEU 28 1.161 3.627 -19.781 192 HD21 LEU 28 HD21 LEU 28 1.280 3.649 -22.163 193 HD22 LEU 28 HD22 LEU 28 2.050 4.970 -23.051 194 HD23 LEU 28 HD23 LEU 28 0.557 5.274 -22.136 195 HA PRO 29 HA PRO 29 3.503 7.483 -15.886 196 HB2 PRO 29 HB1 PRO 29 1.284 8.789 -15.028 197 HB3 PRO 29 HB2 PRO 29 2.635 9.633 -15.838 198 HG2 PRO 29 HG1 PRO 29 0.042 8.670 -17.059 199 HG3 PRO 29 HG2 PRO 29 0.832 10.274 -17.258 200 HD2 PRO 29 HD1 PRO 29 1.081 8.196 -19.068 201 HD3 PRO 29 HD2 PRO 29 2.364 9.398 -18.817 202 H LEU 30 H LEU 30 2.320 6.499 -13.985 203 HA LEU 30 HA LEU 30 0.182 4.538 -14.704 204 HB2 LEU 30 HB1 LEU 30 2.258 4.335 -12.522 205 HB3 LEU 30 HB2 LEU 30 0.842 3.276 -12.692 206 HG LEU 30 HG LEU 30 3.165 3.562 -14.527 207 HD11 LEU 30 HD11 LEU 30 3.596 1.211 -13.974 208 HD12 LEU 30 HD12 LEU 30 2.059 1.139 -13.085 209 HD13 LEU 30 HD13 LEU 30 3.402 2.134 -12.464 210 HD21 LEU 30 HD21 LEU 30 1.362 3.237 -16.053 211 HD22 LEU 30 HD22 LEU 30 0.716 1.890 -15.066 212 HD23 LEU 30 HD23 LEU 30 2.280 1.745 -15.919 213 H ARG 31 H ARG 31 -1.393 4.271 -13.200 214 HA ARG 31 HA ARG 31 -1.739 6.271 -11.023 215 HB2 ARG 31 HB1 ARG 31 -2.763 7.165 -13.110 216 HB3 ARG 31 HB2 ARG 31 -3.878 5.803 -13.126 217 HG2 ARG 31 HG1 ARG 31 -4.991 6.586 -11.148 218 HG3 ARG 31 HG2 ARG 31 -3.663 7.706 -10.761 219 HD2 ARG 31 HD1 ARG 31 -4.165 8.840 -13.006 220 HD3 ARG 31 HD2 ARG 31 -5.680 7.918 -13.016 221 HE ARG 31 HE ARG 31 -6.109 9.085 -10.764 222 HH11 ARG 31 HH12 ARG 31 -3.841 10.685 -12.929 223 HH12 ARG 31 HH11 ARG 31 -4.266 12.178 -12.401 224 HH21 ARG 31 HH22 ARG 31 -6.616 11.205 -10.167 225 HH22 ARG 31 HH21 ARG 31 -5.926 12.533 -11.066 226 H LEU 32 H LEU 32 -1.856 5.042 -9.315 227 HA LEU 32 HA LEU 32 -2.724 2.208 -9.456 228 HB2 LEU 32 HB1 LEU 32 -0.553 2.747 -8.501 229 HB3 LEU 32 HB2 LEU 32 -1.301 3.876 -7.353 230 HG LEU 32 HG LEU 32 -2.495 1.902 -6.312 231 HD11 LEU 32 HD11 LEU 32 -1.580 -0.370 -6.785 232 HD12 LEU 32 HD12 LEU 32 -0.646 0.293 -8.138 233 HD13 LEU 32 HD13 LEU 32 -2.420 0.299 -8.181 234 HD21 LEU 32 HD21 LEU 32 0.549 1.754 -6.392 235 HD22 LEU 32 HD22 LEU 32 -0.495 1.116 -5.107 236 HD23 LEU 32 HD23 LEU 32 -0.396 2.864 -5.389 237 H VAL 33 H VAL 33 -4.849 1.945 -9.255 238 HA VAL 33 HA VAL 33 -6.428 3.962 -7.709 239 HB VAL 33 HB VAL 33 -8.396 3.185 -8.960 240 HG11 VAL 33 HG11 VAL 33 -7.020 5.045 -9.857 241 HG12 VAL 33 HG12 VAL 33 -6.092 3.886 -10.826 242 HG13 VAL 33 HG13 VAL 33 -7.819 4.121 -11.135 243 HG21 VAL 33 HG21 VAL 33 -8.247 1.684 -10.867 244 HG22 VAL 33 HG22 VAL 33 -6.519 1.432 -10.604 245 HG23 VAL 33 HG23 VAL 33 -7.704 0.822 -9.424 246 H GLY 34 H GLY 34 -5.349 0.709 -7.437 247 HA2 GLY 34 HA3 GLY 34 -6.257 0.431 -4.805 248 HA3 GLY 34 HA2 GLY 34 -7.460 -0.380 -5.833 249 H ALA 35 H ALA 35 -6.717 -2.291 -4.543 250 HA ALA 35 HA ALA 35 -5.095 -3.806 -6.336 251 HB1 ALA 35 HB1 ALA 35 -3.507 -4.725 -4.755 252 HB2 ALA 35 HB2 ALA 35 -3.320 -2.977 -4.838 253 HB3 ALA 35 HB3 ALA 35 -4.158 -3.701 -3.447 254 H ARG 36 H ARG 36 -5.041 -6.281 -5.442 255 HA ARG 36 HA ARG 36 -7.315 -6.926 -3.658 256 HB2 ARG 36 HB1 ARG 36 -7.068 -8.149 -6.426 257 HB3 ARG 36 HB2 ARG 36 -8.133 -8.757 -5.146 258 HG2 ARG 36 HG1 ARG 36 -8.336 -6.050 -6.484 259 HG3 ARG 36 HG2 ARG 36 -9.327 -7.470 -6.869 260 HD2 ARG 36 HD1 ARG 36 -9.260 -6.139 -4.134 261 HD3 ARG 36 HD2 ARG 36 -10.420 -5.721 -5.428 262 HE ARG 36 HE ARG 36 -11.372 -7.935 -5.242 263 HH11 ARG 36 HH12 ARG 36 -9.234 -7.183 -2.535 264 HH12 ARG 36 HH11 ARG 36 -10.333 -7.905 -1.379 265 HH21 ARG 36 HH22 ARG 36 -12.731 -8.862 -3.603 266 HH22 ARG 36 HH21 ARG 36 -12.192 -8.817 -1.955 267 H THR 37 H THR 37 -7.098 -9.033 -2.691 268 HA THR 37 HA THR 37 -4.490 -10.399 -2.977 269 HB THR 37 HB THR 37 -4.003 -8.480 -1.622 270 HG1 THR 37 HG1 THR 37 -2.972 -10.371 -1.180 271 HG21 THR 37 HG21 THR 37 -4.867 -8.197 0.649 272 HG22 THR 37 HG22 THR 37 -6.081 -9.460 0.372 273 HG23 THR 37 HG23 THR 37 -6.144 -7.940 -0.546 274 HA PRO 38 HA PRO 38 -7.332 -13.595 -1.526 275 HB2 PRO 38 HB1 PRO 38 -5.663 -15.546 -0.585 276 HB3 PRO 38 HB2 PRO 38 -5.859 -15.150 -2.322 277 HG2 PRO 38 HG1 PRO 38 -3.686 -14.194 -0.454 278 HG3 PRO 38 HG2 PRO 38 -3.497 -14.922 -2.091 279 HD2 PRO 38 HD1 PRO 38 -3.496 -12.225 -1.714 280 HD3 PRO 38 HD2 PRO 38 -4.269 -12.951 -3.148 281 H VAL 39 H VAL 39 -4.947 -12.235 0.667 282 HA VAL 39 HA VAL 39 -5.926 -13.629 2.999 283 HB VAL 39 HB VAL 39 -4.379 -12.377 4.325 284 HG11 VAL 39 HG11 VAL 39 -2.341 -13.005 3.255 285 HG12 VAL 39 HG12 VAL 39 -3.566 -14.171 2.742 286 HG13 VAL 39 HG13 VAL 39 -3.058 -12.873 1.630 287 HG21 VAL 39 HG21 VAL 39 -4.104 -10.503 1.936 288 HG22 VAL 39 HG22 VAL 39 -4.660 -10.087 3.565 289 HG23 VAL 39 HG23 VAL 39 -2.973 -10.531 3.291 290 H ALA 40 H ALA 40 -7.138 -10.744 1.522 291 HA ALA 40 HA ALA 40 -8.711 -10.062 3.955 292 HB1 ALA 40 HB1 ALA 40 -7.147 -8.045 2.289 293 HB2 ALA 40 HB2 ALA 40 -8.164 -7.702 3.702 294 HB3 ALA 40 HB3 ALA 40 -6.670 -8.639 3.898 295 H GLU 41 H GLU 41 -10.666 -9.024 3.571 296 HA GLU 41 HA GLU 41 -11.745 -9.752 0.977 297 HB2 GLU 41 HB1 GLU 41 -12.822 -10.379 3.127 298 HB3 GLU 41 HB2 GLU 41 -13.142 -8.673 3.473 299 HG2 GLU 41 HG1 GLU 41 -15.132 -9.798 2.561 300 HG3 GLU 41 HG2 GLU 41 -14.578 -8.537 1.458 301 H ARG 42 H ARG 42 -12.228 -6.826 2.962 302 HA ARG 42 HA ARG 42 -12.465 -5.096 0.577 303 HB2 ARG 42 HB1 ARG 42 -14.047 -4.570 2.220 304 HB3 ARG 42 HB2 ARG 42 -12.898 -4.773 3.550 305 HG2 ARG 42 HG1 ARG 42 -11.743 -2.699 2.861 306 HG3 ARG 42 HG2 ARG 42 -12.890 -2.483 1.529 307 HD2 ARG 42 HD1 ARG 42 -13.732 -2.712 4.448 308 HD3 ARG 42 HD2 ARG 42 -13.358 -1.162 3.695 309 HE ARG 42 HE ARG 42 -15.698 -2.899 3.219 310 HH11 ARG 42 HH12 ARG 42 -13.983 0.089 2.235 311 HH12 ARG 42 HH11 ARG 42 -15.330 0.648 1.314 312 HH21 ARG 42 HH22 ARG 42 -17.414 -2.055 2.006 313 HH22 ARG 42 HH21 ARG 42 -17.224 -0.524 1.197 314 H VAL 43 H VAL 43 -10.893 -3.623 0.061 315 HA VAL 43 HA VAL 43 -8.474 -3.327 1.591 316 HB VAL 43 HB VAL 43 -7.808 -5.353 0.520 317 HG11 VAL 43 HG11 VAL 43 -9.476 -5.421 -1.294 318 HG12 VAL 43 HG12 VAL 43 -8.594 -4.153 -2.159 319 HG13 VAL 43 HG13 VAL 43 -7.836 -5.739 -1.877 320 HG21 VAL 43 HG21 VAL 43 -5.850 -4.721 -0.742 321 HG22 VAL 43 HG22 VAL 43 -6.530 -3.131 -1.132 322 HG23 VAL 43 HG23 VAL 43 -6.085 -3.522 0.540 323 H GLU 44 H GLU 44 -7.527 -1.407 1.196 324 HA GLU 44 HA GLU 44 -8.630 0.388 -0.942 325 HB2 GLU 44 HB1 GLU 44 -8.678 0.805 2.074 326 HB3 GLU 44 HB2 GLU 44 -9.004 2.080 0.873 327 HG2 GLU 44 HG1 GLU 44 -10.988 0.931 0.113 328 HG3 GLU 44 HG2 GLU 44 -10.648 -0.465 1.158 329 H LEU 45 H LEU 45 -7.065 1.937 -1.659 330 HA LEU 45 HA LEU 45 -4.519 1.998 -0.254 331 HB2 LEU 45 HB1 LEU 45 -4.870 2.015 -2.778 332 HB3 LEU 45 HB2 LEU 45 -5.381 3.694 -2.622 333 HG LEU 45 HG LEU 45 -2.774 2.794 -1.317 334 HD11 LEU 45 HD11 LEU 45 -2.655 1.886 -3.566 335 HD12 LEU 45 HD12 LEU 45 -1.577 3.290 -3.378 336 HD13 LEU 45 HD13 LEU 45 -3.137 3.445 -4.256 337 HD21 LEU 45 HD21 LEU 45 -3.563 5.309 -2.825 338 HD22 LEU 45 HD22 LEU 45 -2.056 5.044 -1.904 339 HD23 LEU 45 HD23 LEU 45 -3.598 5.146 -1.044 340 H HIS 46 H HIS 46 -4.090 3.175 1.320 341 HA HIS 46 HA HIS 46 -5.544 5.702 1.883 342 HB2 HIS 46 HB1 HIS 46 -4.419 3.554 3.684 343 HB3 HIS 46 HB2 HIS 46 -4.686 5.197 4.289 344 HD2 HIS 46 HD2 HIS 46 -7.397 3.433 2.086 345 HE1 HIS 46 HE1 HIS 46 -8.920 3.732 6.010 346 HE2 HIS 46 HE2 HIS 46 -9.423 2.948 3.630 347 H GLU 47 H GLU 47 -4.370 7.327 2.932 348 HA GLU 47 HA GLU 47 -1.445 7.510 2.318 349 HB2 GLU 47 HB1 GLU 47 -1.814 9.959 2.243 350 HB3 GLU 47 HB2 GLU 47 -2.662 9.084 0.943 351 HG2 GLU 47 HG1 GLU 47 -4.766 9.304 2.026 352 HG3 GLU 47 HG2 GLU 47 -4.034 9.866 3.540 353 H THR 48 H THR 48 -0.305 8.954 3.808 354 HA THR 48 HA THR 48 -1.403 9.164 6.573 355 HB THR 48 HB THR 48 1.504 8.660 5.864 356 HG1 THR 48 HG1 THR 48 1.064 6.577 6.740 357 HG21 THR 48 HG21 THR 48 1.142 9.799 8.022 358 HG22 THR 48 HG22 THR 48 1.663 8.129 8.298 359 HG23 THR 48 HG23 THR 48 -0.049 8.571 8.492 360 H PHE 49 H PHE 49 -1.888 11.308 6.651 361 HA PHE 49 HA PHE 49 -0.305 13.215 5.025 362 HB2 PHE 49 HB1 PHE 49 -2.251 14.691 5.282 363 HB3 PHE 49 HB2 PHE 49 -2.647 13.131 4.547 364 HD1 PHE 49 HD1 PHE 49 -2.904 15.134 7.708 365 HD2 PHE 49 HD2 PHE 49 -4.222 11.661 5.555 366 HE1 PHE 49 HE1 PHE 49 -4.721 14.811 9.363 367 HE2 PHE 49 HE2 PHE 49 -6.071 11.357 7.195 368 HZ PHE 49 HZ PHE 49 -6.324 12.914 9.067 369 H MET 50 H MET 50 0.201 15.305 5.719 370 HA MET 50 HA MET 50 0.811 15.633 8.604 371 HB2 MET 50 HB1 MET 50 2.078 17.567 7.980 372 HB3 MET 50 HB2 MET 50 2.563 16.215 6.948 373 HG2 MET 50 HG1 MET 50 1.168 17.124 5.118 374 HG3 MET 50 HG2 MET 50 0.654 18.466 6.167 375 HE1 MET 50 HE1 MET 50 4.778 17.955 4.185 376 HE2 MET 50 HE2 MET 50 4.253 16.792 5.415 377 HE3 MET 50 HE3 MET 50 3.341 16.954 3.892 378 H ARG 51 H ARG 51 -0.002 17.277 9.861 379 HA ARG 51 HA ARG 51 -1.947 19.192 8.902 380 HB2 ARG 51 HB1 ARG 51 -2.915 16.657 9.603 381 HB3 ARG 51 HB2 ARG 51 -3.187 17.630 11.067 382 HG2 ARG 51 HG1 ARG 51 -5.168 17.737 9.768 383 HG3 ARG 51 HG2 ARG 51 -4.394 19.321 9.657 384 HD2 ARG 51 HD1 ARG 51 -3.634 18.857 7.401 385 HD3 ARG 51 HD2 ARG 51 -4.081 17.136 7.555 386 HE ARG 51 HE ARG 51 -6.264 17.628 7.127 387 HH11 ARG 51 HH12 ARG 51 -4.608 20.726 7.523 388 HH12 ARG 51 HH11 ARG 51 -6.005 21.640 7.039 389 HH21 ARG 51 HH22 ARG 51 -8.045 18.866 6.596 390 HH22 ARG 51 HH21 ARG 51 -7.908 20.592 6.478 391 H GLU 52 H GLU 52 -2.837 20.471 10.721 392 HA GLU 52 HA GLU 52 -1.085 20.723 13.094 393 HB2 GLU 52 HB1 GLU 52 -1.727 22.763 10.981 394 HB3 GLU 52 HB2 GLU 52 -1.682 23.318 12.664 395 HG2 GLU 52 HG1 GLU 52 0.539 21.618 11.483 396 HG3 GLU 52 HG2 GLU 52 0.498 23.386 11.312 397 H VAL 53 H VAL 53 -2.102 21.753 14.733 398 HA VAL 53 HA VAL 53 -4.873 22.652 14.639 399 HB VAL 53 HB VAL 53 -4.333 20.355 16.588 400 HG11 VAL 53 HG11 VAL 53 -5.832 22.055 17.543 401 HG12 VAL 53 HG12 VAL 53 -6.826 22.046 16.072 402 HG13 VAL 53 HG13 VAL 53 -6.767 20.623 17.131 403 HG21 VAL 53 HG21 VAL 53 -6.192 20.363 14.173 404 HG22 VAL 53 HG22 VAL 53 -4.744 19.345 14.400 405 HG23 VAL 53 HG23 VAL 53 -6.149 19.119 15.438 406 H GLU 54 H GLU 54 -4.941 24.435 15.943 407 HA GLU 54 HA GLU 54 -4.345 26.045 17.334 408 HB2 GLU 54 HB1 GLU 54 -5.105 23.934 18.734 409 HB3 GLU 54 HB2 GLU 54 -3.439 23.976 19.335 410 HG2 GLU 54 HG1 GLU 54 -4.551 25.270 20.909 411 HG3 GLU 54 HG2 GLU 54 -3.972 26.517 19.795 412 H GLY 55 H GLY 55 -2.012 24.850 15.669 413 HA2 GLY 55 HA3 GLY 55 0.145 25.581 15.280 414 HA3 GLY 55 HA2 GLY 55 0.165 26.396 16.860 415 H LYS 56 H LYS 56 -0.741 22.974 16.571 416 HA LYS 56 HA LYS 56 1.929 22.044 17.354 417 HB2 LYS 56 HB1 LYS 56 -0.832 21.149 18.307 418 HB3 LYS 56 HB2 LYS 56 0.708 20.315 18.592 419 HG2 LYS 56 HG1 LYS 56 0.522 21.443 20.597 420 HG3 LYS 56 HG2 LYS 56 1.360 22.688 19.661 421 HD2 LYS 56 HD1 LYS 56 -0.986 23.580 19.065 422 HD3 LYS 56 HD2 LYS 56 -1.623 22.478 20.293 423 HE2 LYS 56 HE1 LYS 56 -0.347 23.631 22.037 424 HE3 LYS 56 HE2 LYS 56 0.524 24.584 20.802 425 HZ1 LYS 56 HZ1 LYS 56 -2.397 24.742 21.277 426 HZ2 LYS 56 HZ2 LYS 56 -1.540 25.624 20.209 427 HZ3 LYS 56 HZ3 LYS 56 -1.295 25.854 21.812 428 H LYS 57 H LYS 57 2.677 20.494 16.050 429 HA LYS 57 HA LYS 57 1.243 19.732 13.722 430 HB2 LYS 57 HB1 LYS 57 3.209 18.389 13.148 431 HB3 LYS 57 HB2 LYS 57 3.608 20.052 13.670 432 HG2 LYS 57 HG1 LYS 57 5.144 19.189 14.988 433 HG3 LYS 57 HG2 LYS 57 3.887 18.516 16.013 434 HD2 LYS 57 HD1 LYS 57 5.103 17.062 13.622 435 HD3 LYS 57 HD2 LYS 57 5.698 16.930 15.303 436 HE2 LYS 57 HE1 LYS 57 3.461 16.089 15.990 437 HE3 LYS 57 HE2 LYS 57 2.925 16.152 14.298 438 HZ1 LYS 57 HZ1 LYS 57 5.190 14.506 15.271 439 HZ2 LYS 57 HZ2 LYS 57 4.515 14.483 13.757 440 HZ3 LYS 57 HZ3 LYS 57 3.662 13.948 15.048 441 H VAL 58 H VAL 58 0.295 17.877 13.018 442 HA VAL 58 HA VAL 58 0.496 15.397 14.612 443 HB VAL 58 HB VAL 58 -1.463 16.632 15.525 444 HG11 VAL 58 HG11 VAL 58 -2.225 17.772 13.449 445 HG12 VAL 58 HG12 VAL 58 -2.753 16.199 12.803 446 HG13 VAL 58 HG13 VAL 58 -3.524 16.875 14.248 447 HG21 VAL 58 HG21 VAL 58 -2.314 14.083 14.098 448 HG22 VAL 58 HG22 VAL 58 -1.326 14.138 15.579 449 HG23 VAL 58 HG23 VAL 58 -2.982 14.771 15.585 450 H MET 59 H MET 59 -0.163 13.488 13.450 451 HA MET 59 HA MET 59 -0.431 13.805 10.515 452 HB2 MET 59 HB1 MET 59 1.477 11.949 11.979 453 HB3 MET 59 HB2 MET 59 0.951 11.704 10.283 454 HG2 MET 59 HG1 MET 59 3.015 12.756 10.113 455 HG3 MET 59 HG2 MET 59 1.813 13.994 9.773 456 HE1 MET 59 HE1 MET 59 3.903 16.642 11.305 457 HE2 MET 59 HE2 MET 59 3.914 15.591 9.870 458 HE3 MET 59 HE3 MET 59 2.388 16.311 10.448 459 H GLY 60 H GLY 60 -1.956 12.574 9.622 460 HA2 GLY 60 HA3 GLY 60 -3.315 10.499 11.288 461 HA3 GLY 60 HA2 GLY 60 -4.242 11.731 10.402 462 H MET 61 H MET 61 -5.061 9.387 9.683 463 HA MET 61 HA MET 61 -3.837 8.845 7.028 464 HB2 MET 61 HB1 MET 61 -4.685 6.769 9.080 465 HB3 MET 61 HB2 MET 61 -4.377 6.397 7.366 466 HG2 MET 61 HG1 MET 61 -2.069 7.057 7.566 467 HG3 MET 61 HG2 MET 61 -2.317 7.634 9.221 468 HE1 MET 61 HE1 MET 61 0.091 5.890 8.713 469 HE2 MET 61 HE2 MET 61 -0.423 6.357 10.353 470 HE3 MET 61 HE3 MET 61 -0.020 4.660 9.989 471 H ARG 62 H ARG 62 -5.306 7.861 5.503 472 HA ARG 62 HA ARG 62 -8.132 7.641 5.904 473 HB2 ARG 62 HB1 ARG 62 -8.851 9.566 4.488 474 HB3 ARG 62 HB2 ARG 62 -8.186 10.060 6.055 475 HG2 ARG 62 HG1 ARG 62 -6.123 10.746 5.059 476 HG3 ARG 62 HG2 ARG 62 -6.530 10.019 3.499 477 HD2 ARG 62 HD1 ARG 62 -8.283 12.194 4.611 478 HD3 ARG 62 HD2 ARG 62 -6.733 12.596 3.840 479 HE ARG 62 HE ARG 62 -8.969 11.075 2.535 480 HH11 ARG 62 HH12 ARG 62 -5.936 12.851 2.102 481 HH12 ARG 62 HH11 ARG 62 -6.018 12.746 0.445 482 HH21 ARG 62 HH22 ARG 62 -8.811 10.780 0.381 483 HH22 ARG 62 HH21 ARG 62 -7.781 11.820 -0.570 484 HA PRO 63 HA PRO 63 -7.461 5.852 1.804 485 HB2 PRO 63 HB1 PRO 63 -10.088 6.053 0.788 486 HB3 PRO 63 HB2 PRO 63 -9.301 4.636 1.500 487 HG2 PRO 63 HG1 PRO 63 -11.375 6.226 2.637 488 HG3 PRO 63 HG2 PRO 63 -10.507 4.856 3.417 489 HD2 PRO 63 HD1 PRO 63 -10.230 7.771 3.831 490 HD3 PRO 63 HD2 PRO 63 -9.682 6.431 4.858 491 H VAL 64 H VAL 64 -7.256 6.397 -0.311 492 HA VAL 64 HA VAL 64 -8.219 9.069 -1.253 493 HB VAL 64 HB VAL 64 -6.312 8.854 -2.992 494 HG11 VAL 64 HG11 VAL 64 -4.737 10.085 -1.498 495 HG12 VAL 64 HG12 VAL 64 -6.401 10.674 -1.450 496 HG13 VAL 64 HG13 VAL 64 -5.784 9.662 -0.120 497 HG21 VAL 64 HG21 VAL 64 -4.990 7.233 -0.769 498 HG22 VAL 64 HG22 VAL 64 -5.519 6.584 -2.342 499 HG23 VAL 64 HG23 VAL 64 -4.235 7.806 -2.261 500 HA PRO 65 HA PRO 65 -10.118 6.552 -4.440 501 HB2 PRO 65 HB1 PRO 65 -10.422 8.317 -6.495 502 HB3 PRO 65 HB2 PRO 65 -11.357 8.438 -4.973 503 HG2 PRO 65 HG1 PRO 65 -8.821 9.927 -5.716 504 HG3 PRO 65 HG2 PRO 65 -10.352 10.613 -5.065 505 HD2 PRO 65 HD1 PRO 65 -8.218 10.034 -3.458 506 HD3 PRO 65 HD2 PRO 65 -9.898 9.776 -2.903 507 H PHE 66 H PHE 66 -6.901 7.806 -4.722 508 HA PHE 66 HA PHE 66 -5.905 5.696 -6.233 509 HB2 PHE 66 HB1 PHE 66 -5.195 6.923 -8.297 510 HB3 PHE 66 HB2 PHE 66 -6.931 6.625 -8.223 511 HD1 PHE 66 HD2 PHE 66 -4.288 9.235 -7.867 512 HD2 PHE 66 HD1 PHE 66 -8.505 8.447 -8.250 513 HE1 PHE 66 HE2 PHE 66 -4.732 11.667 -7.896 514 HE2 PHE 66 HE1 PHE 66 -8.955 10.888 -8.334 515 HZ PHE 66 HZ PHE 66 -7.078 12.508 -8.057 516 H LEU 67 H LEU 67 -3.692 5.837 -6.536 517 HA LEU 67 HA LEU 67 -2.268 8.336 -5.790 518 HB2 LEU 67 HB1 LEU 67 -1.606 5.472 -5.298 519 HB3 LEU 67 HB2 LEU 67 -0.292 6.397 -6.059 520 HG LEU 67 HG LEU 67 -1.620 6.975 -3.390 521 HD11 LEU 67 HD11 LEU 67 1.193 6.123 -4.293 522 HD12 LEU 67 HD12 LEU 67 0.006 5.067 -3.493 523 HD13 LEU 67 HD13 LEU 67 0.724 6.427 -2.615 524 HD21 LEU 67 HD21 LEU 67 -1.022 9.159 -4.295 525 HD22 LEU 67 HD22 LEU 67 0.527 8.539 -4.919 526 HD23 LEU 67 HD23 LEU 67 0.253 8.699 -3.174 527 H GLU 68 H GLU 68 -0.222 8.529 -7.308 528 HA GLU 68 HA GLU 68 -0.335 7.100 -9.764 529 HB2 GLU 68 HB1 GLU 68 -1.251 8.425 -11.250 530 HB3 GLU 68 HB2 GLU 68 -2.187 9.025 -9.877 531 HG2 GLU 68 HG1 GLU 68 -0.722 10.982 -9.718 532 HG3 GLU 68 HG2 GLU 68 0.253 10.369 -11.066 533 H VAL 69 H VAL 69 1.277 7.795 -11.332 534 HA VAL 69 HA VAL 69 3.723 8.686 -9.914 535 HB VAL 69 HB VAL 69 3.501 5.910 -11.182 536 HG11 VAL 69 HG11 VAL 69 5.550 5.435 -9.894 537 HG12 VAL 69 HG12 VAL 69 5.799 6.789 -10.996 538 HG13 VAL 69 HG13 VAL 69 5.553 7.094 -9.263 539 HG21 VAL 69 HG21 VAL 69 1.992 5.767 -9.302 540 HG22 VAL 69 HG22 VAL 69 3.488 4.950 -8.875 541 HG23 VAL 69 HG23 VAL 69 3.167 6.569 -8.233 542 HA PRO 70 HA PRO 70 4.500 9.885 -14.162 543 HB2 PRO 70 HB1 PRO 70 7.098 10.721 -14.027 544 HB3 PRO 70 HB2 PRO 70 5.736 11.642 -13.323 545 HG2 PRO 70 HG1 PRO 70 7.594 9.694 -11.918 546 HG3 PRO 70 HG2 PRO 70 7.152 11.362 -11.401 547 HD2 PRO 70 HD1 PRO 70 5.884 9.166 -10.398 548 HD3 PRO 70 HD2 PRO 70 4.984 10.669 -10.751 549 HA PRO 71 HA PRO 71 6.830 6.534 -16.184 550 HB2 PRO 71 HB1 PRO 71 8.258 7.977 -18.077 551 HB3 PRO 71 HB2 PRO 71 6.602 7.308 -18.219 552 HG2 PRO 71 HG1 PRO 71 7.443 10.119 -17.707 553 HG3 PRO 71 HG2 PRO 71 5.966 9.495 -18.549 554 HD2 PRO 71 HD1 PRO 71 6.011 10.485 -15.960 555 HD3 PRO 71 HD2 PRO 71 4.797 9.352 -16.592 556 H LYS 72 H LYS 72 8.739 5.518 -15.938 557 HA LYS 72 HA LYS 72 10.755 4.969 -15.073 558 HB2 LYS 72 HB1 LYS 72 11.471 7.897 -15.376 559 HB3 LYS 72 HB2 LYS 72 12.611 6.553 -15.212 560 HG2 LYS 72 HG1 LYS 72 10.624 6.719 -17.505 561 HG3 LYS 72 HG2 LYS 72 12.211 7.530 -17.523 562 HD2 LYS 72 HD1 LYS 72 13.356 5.401 -17.335 563 HD3 LYS 72 HD2 LYS 72 11.838 4.525 -17.097 564 HE2 LYS 72 HE1 LYS 72 12.340 6.170 -19.599 565 HE3 LYS 72 HE2 LYS 72 12.942 4.504 -19.469 566 HZ1 LYS 72 HZ1 LYS 72 10.728 4.742 -20.527 567 HZ2 LYS 72 HZ2 LYS 72 10.103 5.262 -19.122 568 HZ3 LYS 72 HZ3 LYS 72 10.694 3.738 -19.216 569 H GLY 73 H GLY 73 8.614 6.587 -13.366 570 HA2 GLY 73 HA3 GLY 73 10.126 7.410 -11.027 571 HA3 GLY 73 HA2 GLY 73 8.362 7.462 -11.240 572 H ARG 74 H ARG 74 10.875 6.065 -9.742 573 HA ARG 74 HA ARG 74 9.272 3.837 -8.593 574 HB2 ARG 74 HB1 ARG 74 11.558 3.194 -9.015 575 HB3 ARG 74 HB2 ARG 74 12.176 4.638 -8.182 576 HG2 ARG 74 HG1 ARG 74 11.385 3.805 -6.047 577 HG3 ARG 74 HG2 ARG 74 10.612 2.416 -6.809 578 HD2 ARG 74 HD1 ARG 74 13.526 2.737 -7.379 579 HD3 ARG 74 HD2 ARG 74 13.117 2.435 -5.679 580 HE ARG 74 HE ARG 74 12.384 0.667 -7.990 581 HH11 ARG 74 HH12 ARG 74 13.192 0.888 -4.529 582 HH12 ARG 74 HH11 ARG 74 13.120 -0.835 -4.321 583 HH21 ARG 74 HH22 ARG 74 12.081 -1.473 -7.574 584 HH22 ARG 74 HH21 ARG 74 12.443 -2.150 -5.995 585 H VAL 75 H VAL 75 8.216 4.061 -6.770 586 HA VAL 75 HA VAL 75 8.741 6.271 -4.850 587 HB VAL 75 HB VAL 75 6.405 6.972 -4.792 588 HG11 VAL 75 HG11 VAL 75 6.342 8.342 -6.792 589 HG12 VAL 75 HG12 VAL 75 8.006 8.240 -6.196 590 HG13 VAL 75 HG13 VAL 75 7.506 7.289 -7.614 591 HG21 VAL 75 HG21 VAL 75 5.965 5.223 -7.252 592 HG22 VAL 75 HG22 VAL 75 5.250 4.989 -5.640 593 HG23 VAL 75 HG23 VAL 75 4.815 6.407 -6.592 594 H GLU 76 H GLU 76 7.539 5.944 -2.748 595 HA GLU 76 HA GLU 76 7.250 2.996 -2.304 596 HB2 GLU 76 HB1 GLU 76 9.445 4.075 -1.759 597 HB3 GLU 76 HB2 GLU 76 8.620 5.007 -0.504 598 HG2 GLU 76 HG1 GLU 76 7.918 2.867 0.577 599 HG3 GLU 76 HG2 GLU 76 8.753 1.965 -0.705 600 H LEU 77 H LEU 77 5.424 2.367 -1.501 601 HA LEU 77 HA LEU 77 3.605 4.071 0.043 602 HB2 LEU 77 HB1 LEU 77 3.510 1.209 -0.943 603 HB3 LEU 77 HB2 LEU 77 2.369 1.841 0.284 604 HG LEU 77 HG LEU 77 1.718 3.615 -1.414 605 HD11 LEU 77 HD11 LEU 77 3.148 1.711 -3.314 606 HD12 LEU 77 HD12 LEU 77 3.529 3.427 -3.052 607 HD13 LEU 77 HD13 LEU 77 2.003 2.975 -3.811 608 HD21 LEU 77 HD21 LEU 77 0.267 1.776 -0.807 609 HD22 LEU 77 HD22 LEU 77 1.120 0.676 -1.921 610 HD23 LEU 77 HD23 LEU 77 0.169 2.035 -2.552 611 H LYS 78 H LYS 78 5.426 4.541 1.407 612 HA LYS 78 HA LYS 78 6.178 2.652 3.491 613 HB2 LYS 78 HB1 LYS 78 7.405 4.591 4.389 614 HB3 LYS 78 HB2 LYS 78 7.697 4.378 2.647 615 HG2 LYS 78 HG1 LYS 78 6.003 6.179 2.208 616 HG3 LYS 78 HG2 LYS 78 5.882 6.416 3.973 617 HD2 LYS 78 HD1 LYS 78 7.250 8.137 3.178 618 HD3 LYS 78 HD2 LYS 78 8.318 7.026 4.006 619 HE2 LYS 78 HE1 LYS 78 7.896 6.673 1.031 620 HE3 LYS 78 HE2 LYS 78 8.831 8.089 1.579 621 HZ1 LYS 78 HZ1 LYS 78 9.496 5.236 2.126 622 HZ2 LYS 78 HZ2 LYS 78 10.322 6.508 2.725 623 HZ3 LYS 78 HZ3 LYS 78 10.268 6.202 1.114 624 HA PRO 79 HA PRO 79 2.710 3.385 6.248 625 HB2 PRO 79 HB1 PRO 79 3.910 3.301 8.750 626 HB3 PRO 79 HB2 PRO 79 3.476 1.875 7.761 627 HG2 PRO 79 HG1 PRO 79 6.160 3.247 7.981 628 HG3 PRO 79 HG2 PRO 79 5.804 1.484 8.023 629 HD2 PRO 79 HD1 PRO 79 6.683 2.689 5.754 630 HD3 PRO 79 HD2 PRO 79 5.416 1.427 5.684 631 H GLY 80 H GLY 80 5.622 5.422 6.720 632 HA2 GLY 80 HA3 GLY 80 4.038 7.695 7.707 633 HA3 GLY 80 HA2 GLY 80 5.788 7.655 7.391 634 H GLY 81 H GLY 81 3.096 6.797 5.166 635 HA2 GLY 81 HA3 GLY 81 3.315 9.181 3.543 636 HA3 GLY 81 HA2 GLY 81 4.183 7.795 2.844 637 H TYR 82 H TYR 82 2.814 5.746 2.652 638 HA TYR 82 HA TYR 82 -0.039 6.066 1.930 639 HB2 TYR 82 HB1 TYR 82 2.044 5.548 -0.192 640 HB3 TYR 82 HB2 TYR 82 0.287 5.540 -0.396 641 HD1 TYR 82 HD1 TYR 82 -0.996 7.704 -0.224 642 HD2 TYR 82 HD2 TYR 82 3.312 7.571 -0.162 643 HE1 TYR 82 HE1 TYR 82 -0.926 10.166 -0.553 644 HE2 TYR 82 HE2 TYR 82 3.404 10.025 -0.448 645 HH TYR 82 HH TYR 82 0.424 12.021 -0.612 646 H HIS 83 H HIS 83 -1.072 3.993 1.695 647 HA HIS 83 HA HIS 83 0.519 1.549 1.696 648 HB2 HIS 83 HB1 HIS 83 -0.021 0.816 3.930 649 HB3 HIS 83 HB2 HIS 83 0.930 2.293 4.016 650 HD1 HIS 83 HD1 HIS 83 -0.546 4.568 4.811 651 HD2 HIS 83 HD2 HIS 83 -2.391 0.791 5.029 652 HE1 HIS 83 HE1 HIS 83 -2.579 4.845 6.308 653 H PHE 84 H PHE 84 -0.938 -0.400 2.183 654 HA PHE 84 HA PHE 84 -3.692 0.123 1.134 655 HB2 PHE 84 HB1 PHE 84 -1.890 -2.295 0.978 656 HB3 PHE 84 HB2 PHE 84 -3.645 -2.392 0.717 657 HD1 PHE 84 HD1 PHE 84 -4.547 -0.468 -0.989 658 HD2 PHE 84 HD2 PHE 84 -0.563 -2.128 -0.947 659 HE1 PHE 84 HE1 PHE 84 -4.343 -0.058 -3.420 660 HE2 PHE 84 HE2 PHE 84 -0.329 -1.591 -3.361 661 HZ PHE 84 HZ PHE 84 -2.236 -0.579 -4.595 662 H MET 85 H MET 85 -5.212 0.063 2.582 663 HA MET 85 HA MET 85 -4.885 -1.219 5.227 664 HB2 MET 85 HB1 MET 85 -6.828 0.619 3.884 665 HB3 MET 85 HB2 MET 85 -7.523 -0.517 5.071 666 HG2 MET 85 HG1 MET 85 -5.188 1.326 5.660 667 HG3 MET 85 HG2 MET 85 -6.897 1.675 6.040 668 HE1 MET 85 HE1 MET 85 -3.746 -0.320 6.721 669 HE2 MET 85 HE2 MET 85 -3.867 0.998 7.893 670 HE3 MET 85 HE3 MET 85 -3.943 -0.703 8.447 671 H LEU 86 H LEU 86 -5.520 -3.159 5.732 672 HA LEU 86 HA LEU 86 -6.979 -4.841 3.724 673 HB2 LEU 86 HB1 LEU 86 -5.096 -5.653 5.979 674 HB3 LEU 86 HB2 LEU 86 -5.855 -6.743 4.810 675 HG LEU 86 HG LEU 86 -3.700 -4.657 4.252 676 HD11 LEU 86 HD11 LEU 86 -2.314 -6.629 3.741 677 HD12 LEU 86 HD12 LEU 86 -3.659 -7.701 4.170 678 HD13 LEU 86 HD13 LEU 86 -2.904 -6.674 5.410 679 HD21 LEU 86 HD21 LEU 86 -3.641 -5.607 1.947 680 HD22 LEU 86 HD22 LEU 86 -5.144 -4.750 2.298 681 HD23 LEU 86 HD23 LEU 86 -5.115 -6.530 2.314 682 H LEU 87 H LEU 87 -9.011 -5.367 4.323 683 HA LEU 87 HA LEU 87 -9.856 -4.988 7.161 684 HB2 LEU 87 HB1 LEU 87 -10.051 -3.216 4.967 685 HB3 LEU 87 HB2 LEU 87 -11.670 -3.896 5.118 686 HG LEU 87 HG LEU 87 -10.207 -2.765 7.515 687 HD11 LEU 87 HD11 LEU 87 -10.201 -0.996 5.813 688 HD12 LEU 87 HD12 LEU 87 -11.330 -0.611 7.119 689 HD13 LEU 87 HD13 LEU 87 -11.946 -1.201 5.563 690 HD21 LEU 87 HD21 LEU 87 -12.312 -4.153 7.831 691 HD22 LEU 87 HD22 LEU 87 -13.190 -2.978 6.836 692 HD23 LEU 87 HD23 LEU 87 -12.489 -2.478 8.388 693 H GLY 88 H GLY 88 -10.958 -6.701 7.867 694 HA2 GLY 88 HA3 GLY 88 -12.440 -8.560 7.815 695 HA3 GLY 88 HA2 GLY 88 -12.748 -8.270 6.087 696 H LEU 89 H LEU 89 -10.137 -9.303 8.359 697 HA LEU 89 HA LEU 89 -8.529 -10.515 6.283 698 HB2 LEU 89 HB1 LEU 89 -8.478 -10.668 9.297 699 HB3 LEU 89 HB2 LEU 89 -7.348 -11.557 8.237 700 HG LEU 89 HG LEU 89 -7.461 -8.631 8.891 701 HD11 LEU 89 HD11 LEU 89 -5.070 -9.055 9.235 702 HD12 LEU 89 HD12 LEU 89 -5.243 -10.674 8.506 703 HD13 LEU 89 HD13 LEU 89 -6.004 -10.329 10.050 704 HD21 LEU 89 HD21 LEU 89 -6.202 -9.744 6.345 705 HD22 LEU 89 HD22 LEU 89 -5.850 -8.153 7.050 706 HD23 LEU 89 HD23 LEU 89 -7.474 -8.498 6.452 707 H LYS 90 H LYS 90 -9.775 -11.873 5.125 708 HA LYS 90 HA LYS 90 -10.984 -14.276 6.199 709 HB2 LYS 90 HB1 LYS 90 -11.472 -14.892 4.052 710 HB3 LYS 90 HB2 LYS 90 -11.609 -13.135 4.064 711 HG2 LYS 90 HG1 LYS 90 -9.346 -13.007 2.974 712 HG3 LYS 90 HG2 LYS 90 -9.298 -14.797 2.959 713 HD2 LYS 90 HD1 LYS 90 -10.142 -14.431 0.852 714 HD3 LYS 90 HD2 LYS 90 -11.649 -14.538 1.789 715 HE2 LYS 90 HE1 LYS 90 -11.503 -11.979 2.007 716 HE3 LYS 90 HE2 LYS 90 -10.196 -12.033 0.810 717 HZ1 LYS 90 HZ1 LYS 90 -13.045 -12.771 0.490 718 HZ2 LYS 90 HZ2 LYS 90 -11.912 -13.194 -0.661 719 HZ3 LYS 90 HZ3 LYS 90 -12.307 -11.623 -0.270 720 H ARG 91 H ARG 91 -7.711 -13.477 5.758 721 HA ARG 91 HA ARG 91 -7.110 -16.035 7.057 722 HB2 ARG 91 HB1 ARG 91 -5.286 -14.858 4.922 723 HB3 ARG 91 HB2 ARG 91 -4.896 -16.217 6.000 724 HG2 ARG 91 HG1 ARG 91 -6.731 -17.531 4.948 725 HG3 ARG 91 HG2 ARG 91 -7.039 -16.165 3.838 726 HD2 ARG 91 HD1 ARG 91 -5.722 -17.661 2.603 727 HD3 ARG 91 HD2 ARG 91 -4.632 -16.367 3.071 728 HE ARG 91 HE ARG 91 -4.718 -19.169 4.109 729 HH11 ARG 91 HH12 ARG 91 -2.907 -16.071 4.186 730 HH12 ARG 91 HH11 ARG 91 -1.488 -16.929 4.782 731 HH21 ARG 91 HH22 ARG 91 -2.672 -20.056 4.795 732 HH22 ARG 91 HH21 ARG 91 -1.371 -18.908 5.094 733 HA PRO 92 HA PRO 92 -5.134 -12.740 9.568 734 HB2 PRO 92 HB1 PRO 92 -3.917 -14.238 11.482 735 HB3 PRO 92 HB2 PRO 92 -5.691 -13.992 11.444 736 HG2 PRO 92 HG1 PRO 92 -4.114 -16.351 10.371 737 HG3 PRO 92 HG2 PRO 92 -5.582 -16.381 11.413 738 HD2 PRO 92 HD1 PRO 92 -5.690 -16.691 8.686 739 HD3 PRO 92 HD2 PRO 92 -6.980 -15.850 9.592 740 H LEU 93 H LEU 93 -2.975 -11.897 9.768 741 HA LEU 93 HA LEU 93 -1.118 -13.106 7.775 742 HB2 LEU 93 HB1 LEU 93 -1.482 -10.346 8.940 743 HB3 LEU 93 HB2 LEU 93 0.045 -10.819 8.135 744 HG LEU 93 HG LEU 93 -1.204 -9.564 6.629 745 HD11 LEU 93 HD11 LEU 93 -1.508 -12.453 5.728 746 HD12 LEU 93 HD12 LEU 93 0.022 -11.540 5.757 747 HD13 LEU 93 HD13 LEU 93 -1.304 -11.012 4.722 748 HD21 LEU 93 HD21 LEU 93 -3.434 -9.774 7.525 749 HD22 LEU 93 HD22 LEU 93 -3.557 -11.449 6.915 750 HD23 LEU 93 HD23 LEU 93 -3.414 -10.086 5.789 751 H LYS 94 H LYS 94 -0.083 -14.707 8.809 752 HA LYS 94 HA LYS 94 1.476 -14.277 11.261 753 HB2 LYS 94 HB1 LYS 94 0.547 -16.426 10.868 754 HB3 LYS 94 HB2 LYS 94 1.201 -16.528 9.240 755 HG2 LYS 94 HG1 LYS 94 3.211 -16.233 11.420 756 HG3 LYS 94 HG2 LYS 94 2.254 -17.734 11.473 757 HD2 LYS 94 HD1 LYS 94 3.821 -16.798 9.047 758 HD3 LYS 94 HD2 LYS 94 4.442 -17.938 10.261 759 HE2 LYS 94 HE1 LYS 94 2.667 -19.533 9.718 760 HE3 LYS 94 HE2 LYS 94 1.926 -18.348 8.596 761 HZ1 LYS 94 HZ1 LYS 94 4.266 -18.495 7.494 762 HZ2 LYS 94 HZ2 LYS 94 3.055 -19.502 7.142 763 HZ3 LYS 94 HZ3 LYS 94 4.277 -20.006 8.159 764 H ALA 95 H ALA 95 3.560 -13.492 11.386 765 HA ALA 95 HA ALA 95 4.997 -12.457 9.105 766 HB1 ALA 95 HB1 ALA 95 5.957 -13.219 11.905 767 HB2 ALA 95 HB2 ALA 95 6.861 -12.246 10.732 768 HB3 ALA 95 HB3 ALA 95 5.355 -11.617 11.417 769 H GLY 96 H GLY 96 6.452 -13.472 7.721 770 HA2 GLY 96 HA3 GLY 96 7.571 -15.265 6.729 771 HA3 GLY 96 HA2 GLY 96 7.312 -16.239 8.194 772 H GLU 97 H GLU 97 4.800 -14.577 6.329 773 HA GLU 97 HA GLU 97 4.044 -17.048 4.842 774 HB2 GLU 97 HB1 GLU 97 2.370 -14.640 5.632 775 HB3 GLU 97 HB2 GLU 97 1.851 -15.771 4.400 776 HG2 GLU 97 HG1 GLU 97 2.459 -16.737 7.185 777 HG3 GLU 97 HG2 GLU 97 0.933 -15.885 6.815 778 H GLU 98 H GLU 98 3.014 -16.008 2.672 779 HA GLU 98 HA GLU 98 4.431 -13.544 1.831 780 HB2 GLU 98 HB1 GLU 98 4.265 -16.115 0.217 781 HB3 GLU 98 HB2 GLU 98 4.646 -14.512 -0.467 782 HG2 GLU 98 HG1 GLU 98 6.599 -14.334 1.027 783 HG3 GLU 98 HG2 GLU 98 6.238 -15.920 1.727 784 H VAL 99 H VAL 99 3.223 -12.269 0.405 785 HA VAL 99 HA VAL 99 0.324 -13.014 0.065 786 HB VAL 99 HB VAL 99 1.578 -10.376 0.895 787 HG11 VAL 99 HG11 VAL 99 -0.005 -9.725 -0.916 788 HG12 VAL 99 HG12 VAL 99 -1.221 -10.821 -0.238 789 HG13 VAL 99 HG13 VAL 99 -0.735 -9.362 0.643 790 HG21 VAL 99 HG21 VAL 99 0.857 -12.085 2.623 791 HG22 VAL 99 HG22 VAL 99 -0.018 -10.551 2.738 792 HG23 VAL 99 HG23 VAL 99 -0.783 -11.964 1.987 793 H GLU 100 H GLU 100 -0.079 -13.341 -1.961 794 HA GLU 100 HA GLU 100 1.151 -11.646 -4.033 795 HB2 GLU 100 HB1 GLU 100 -0.928 -13.817 -4.281 796 HB3 GLU 100 HB2 GLU 100 -0.293 -12.799 -5.613 797 HG2 GLU 100 HG1 GLU 100 2.050 -13.617 -4.789 798 HG3 GLU 100 HG2 GLU 100 1.150 -14.920 -3.998 799 H LEU 101 H LEU 101 0.108 -10.148 -5.229 800 HA LEU 101 HA LEU 101 -2.446 -9.023 -4.301 801 HB2 LEU 101 HB1 LEU 101 0.213 -8.176 -3.454 802 HB3 LEU 101 HB2 LEU 101 -0.640 -6.853 -4.266 803 HG LEU 101 HG LEU 101 -1.950 -8.378 -2.043 804 HD11 LEU 101 HD11 LEU 101 -1.174 -6.640 -0.513 805 HD12 LEU 101 HD12 LEU 101 -0.203 -5.902 -1.825 806 HD13 LEU 101 HD13 LEU 101 0.197 -7.524 -1.212 807 HD21 LEU 101 HD21 LEU 101 -3.292 -6.755 -3.527 808 HD22 LEU 101 HD22 LEU 101 -2.214 -5.466 -2.987 809 HD23 LEU 101 HD23 LEU 101 -3.256 -6.291 -1.816 810 H ASP 102 H ASP 102 -3.553 -8.364 -5.961 811 HA ASP 102 HA ASP 102 -2.434 -7.872 -8.646 812 HB2 ASP 102 HB1 ASP 102 -5.167 -8.203 -7.391 813 HB3 ASP 102 HB2 ASP 102 -4.975 -7.633 -9.058 814 H LEU 103 H LEU 103 -1.349 -5.876 -8.418 815 HA LEU 103 HA LEU 103 -2.628 -3.549 -7.223 816 HB2 LEU 103 HB1 LEU 103 -0.243 -3.690 -9.098 817 HB3 LEU 103 HB2 LEU 103 -0.666 -2.342 -8.032 818 HG LEU 103 HG LEU 103 0.349 -5.101 -7.251 819 HD11 LEU 103 HD11 LEU 103 2.277 -3.808 -6.373 820 HD12 LEU 103 HD12 LEU 103 1.520 -2.303 -6.922 821 HD13 LEU 103 HD13 LEU 103 2.041 -3.523 -8.106 822 HD21 LEU 103 HD21 LEU 103 -0.538 -2.841 -5.412 823 HD22 LEU 103 HD22 LEU 103 0.360 -4.292 -4.899 824 HD23 LEU 103 HD23 LEU 103 -1.270 -4.459 -5.540 825 H LEU 104 H LEU 104 -4.192 -2.362 -8.093 826 HA LEU 104 HA LEU 104 -4.961 -2.766 -10.916 827 HB2 LEU 104 HB1 LEU 104 -6.340 -1.097 -8.792 828 HB3 LEU 104 HB2 LEU 104 -7.029 -1.672 -10.317 829 HG LEU 104 HG LEU 104 -6.346 -3.304 -7.878 830 HD11 LEU 104 HD11 LEU 104 -8.349 -1.910 -7.638 831 HD12 LEU 104 HD12 LEU 104 -8.771 -3.630 -7.687 832 HD13 LEU 104 HD13 LEU 104 -9.027 -2.613 -9.123 833 HD21 LEU 104 HD21 LEU 104 -7.437 -5.223 -9.040 834 HD22 LEU 104 HD22 LEU 104 -5.961 -4.697 -9.847 835 HD23 LEU 104 HD23 LEU 104 -7.542 -4.242 -10.522 836 H PHE 105 H PHE 105 -4.459 -1.359 -12.507 837 HA PHE 105 HA PHE 105 -3.744 1.418 -11.725 838 HB2 PHE 105 HB1 PHE 105 -2.556 -0.361 -13.853 839 HB3 PHE 105 HB2 PHE 105 -2.201 1.359 -13.713 840 HD1 PHE 105 HD1 PHE 105 -0.957 2.210 -11.698 841 HD2 PHE 105 HD2 PHE 105 -1.529 -1.998 -12.420 842 HE1 PHE 105 HE1 PHE 105 1.043 1.701 -10.327 843 HE2 PHE 105 HE2 PHE 105 0.478 -2.497 -11.062 844 HZ PHE 105 HZ PHE 105 1.795 -0.664 -10.060 845 H ALA 106 H ALA 106 -4.840 2.940 -12.634 846 HA ALA 106 HA ALA 106 -6.468 4.085 -13.806 847 HB1 ALA 106 HB1 ALA 106 -4.361 4.284 -15.115 848 HB2 ALA 106 HB2 ALA 106 -4.858 2.891 -16.106 849 HB3 ALA 106 HB3 ALA 106 -5.800 4.392 -16.147 850 H GLY 107 H GLY 107 -7.305 1.272 -13.212 851 HA2 GLY 107 HA3 GLY 107 -9.072 -0.153 -13.655 852 HA3 GLY 107 HA2 GLY 107 -9.559 0.868 -15.027 853 H GLY 108 H GLY 108 -7.540 0.906 -16.705 854 HA2 GLY 108 HA3 GLY 108 -7.889 -1.630 -17.958 855 HA3 GLY 108 HA2 GLY 108 -7.055 -0.211 -18.631 856 H LYS 109 H LYS 109 -5.452 -1.185 -15.772 857 HA LYS 109 HA LYS 109 -3.939 -3.430 -16.959 858 HB2 LYS 109 HB1 LYS 109 -2.893 -0.750 -16.475 859 HB3 LYS 109 HB2 LYS 109 -2.108 -1.926 -15.375 860 HG2 LYS 109 HG1 LYS 109 -0.765 -1.580 -17.310 861 HG3 LYS 109 HG2 LYS 109 -1.336 -3.250 -17.221 862 HD2 LYS 109 HD1 LYS 109 -1.318 -2.412 -19.523 863 HD3 LYS 109 HD2 LYS 109 -2.963 -2.795 -18.999 864 HE2 LYS 109 HE1 LYS 109 -2.987 -0.206 -18.340 865 HE3 LYS 109 HE2 LYS 109 -1.632 -0.103 -19.476 866 HZ1 LYS 109 HZ1 LYS 109 -3.810 0.310 -20.513 867 HZ2 LYS 109 HZ2 LYS 109 -4.329 -1.189 -20.068 868 HZ3 LYS 109 HZ3 LYS 109 -3.117 -1.034 -21.172 869 H VAL 110 H VAL 110 -3.212 -4.943 -15.363 870 HA VAL 110 HA VAL 110 -3.247 -4.180 -12.581 871 HB VAL 110 HB VAL 110 -5.453 -4.981 -12.791 872 HG11 VAL 110 HG11 VAL 110 -6.107 -7.210 -13.569 873 HG12 VAL 110 HG12 VAL 110 -5.353 -6.275 -14.863 874 HG13 VAL 110 HG13 VAL 110 -4.434 -7.558 -14.044 875 HG21 VAL 110 HG21 VAL 110 -4.141 -5.714 -10.770 876 HG22 VAL 110 HG22 VAL 110 -5.506 -6.779 -11.166 877 HG23 VAL 110 HG23 VAL 110 -3.851 -7.272 -11.564 878 H LEU 111 H LEU 111 -1.541 -5.015 -11.516 879 HA LEU 111 HA LEU 111 0.100 -7.161 -12.818 880 HB2 LEU 111 HB1 LEU 111 0.758 -4.683 -11.227 881 HB3 LEU 111 HB2 LEU 111 1.934 -5.995 -11.445 882 HG LEU 111 HG LEU 111 2.262 -4.039 -12.856 883 HD11 LEU 111 HD11 LEU 111 2.799 -5.295 -14.911 884 HD12 LEU 111 HD12 LEU 111 1.709 -6.604 -14.412 885 HD13 LEU 111 HD13 LEU 111 3.176 -6.253 -13.471 886 HD21 LEU 111 HD21 LEU 111 -0.120 -3.499 -13.437 887 HD22 LEU 111 HD22 LEU 111 -0.067 -4.842 -14.605 888 HD23 LEU 111 HD23 LEU 111 1.027 -3.468 -14.785 889 H LYS 112 H LYS 112 -0.252 -8.989 -11.784 890 HA LYS 112 HA LYS 112 -0.831 -9.177 -8.948 891 HB2 LYS 112 HB1 LYS 112 -1.728 -10.575 -10.860 892 HB3 LYS 112 HB2 LYS 112 -0.214 -11.445 -10.872 893 HG2 LYS 112 HG1 LYS 112 -1.708 -11.087 -8.261 894 HG3 LYS 112 HG2 LYS 112 -2.361 -12.231 -9.463 895 HD2 LYS 112 HD1 LYS 112 0.404 -12.393 -8.214 896 HD3 LYS 112 HD2 LYS 112 -1.047 -13.340 -7.746 897 HE2 LYS 112 HE1 LYS 112 -1.146 -14.193 -10.125 898 HE3 LYS 112 HE2 LYS 112 0.422 -13.408 -10.409 899 HZ1 LYS 112 HZ1 LYS 112 0.638 -15.796 -9.749 900 HZ2 LYS 112 HZ2 LYS 112 -0.045 -15.422 -8.278 901 HZ3 LYS 112 HZ3 LYS 112 1.333 -14.800 -8.610 902 H VAL 113 H VAL 113 0.910 -8.300 -7.853 903 HA VAL 113 HA VAL 113 3.673 -9.359 -8.262 904 HB VAL 113 HB VAL 113 4.486 -7.634 -6.861 905 HG11 VAL 113 HG11 VAL 113 3.993 -7.046 -9.224 906 HG12 VAL 113 HG12 VAL 113 2.435 -6.359 -8.711 907 HG13 VAL 113 HG13 VAL 113 3.951 -5.649 -8.133 908 HG21 VAL 113 HG21 VAL 113 1.634 -6.746 -6.278 909 HG22 VAL 113 HG22 VAL 113 2.742 -7.506 -5.120 910 HG23 VAL 113 HG23 VAL 113 3.120 -5.915 -5.776 911 H VAL 114 H VAL 114 4.937 -9.630 -6.053 912 HA VAL 114 HA VAL 114 3.255 -10.900 -3.982 913 HB VAL 114 HB VAL 114 4.360 -12.652 -5.339 914 HG11 VAL 114 HG11 VAL 114 6.992 -11.591 -4.232 915 HG12 VAL 114 HG12 VAL 114 6.755 -13.056 -5.204 916 HG13 VAL 114 HG13 VAL 114 6.453 -11.467 -5.923 917 HG21 VAL 114 HG21 VAL 114 3.746 -13.022 -2.948 918 HG22 VAL 114 HG22 VAL 114 5.107 -14.012 -3.495 919 HG23 VAL 114 HG23 VAL 114 5.407 -12.593 -2.479 920 H LEU 115 H LEU 115 4.018 -10.692 -1.878 921 HA LEU 115 HA LEU 115 6.346 -8.939 -1.226 922 HB2 LEU 115 HB1 LEU 115 3.502 -8.714 -0.139 923 HB3 LEU 115 HB2 LEU 115 4.893 -7.809 0.474 924 HG LEU 115 HG LEU 115 3.663 -7.520 -2.304 925 HD11 LEU 115 HD11 LEU 115 3.504 -5.735 0.160 926 HD12 LEU 115 HD12 LEU 115 2.202 -6.763 -0.445 927 HD13 LEU 115 HD13 LEU 115 2.775 -5.410 -1.432 928 HD21 LEU 115 HD21 LEU 115 5.794 -5.859 -0.888 929 HD22 LEU 115 HD22 LEU 115 5.089 -5.516 -2.488 930 HD23 LEU 115 HD23 LEU 115 6.101 -6.941 -2.255 931 HA PRO 116 HA PRO 116 6.494 -12.215 1.963 932 HB2 PRO 116 HB1 PRO 116 8.351 -11.193 3.665 933 HB3 PRO 116 HB2 PRO 116 8.798 -11.835 2.054 934 HG2 PRO 116 HG1 PRO 116 8.316 -8.947 2.837 935 HG3 PRO 116 HG2 PRO 116 9.696 -9.624 1.900 936 HD2 PRO 116 HD1 PRO 116 7.505 -8.467 0.706 937 HD3 PRO 116 HD2 PRO 116 8.386 -9.833 -0.034 938 H VAL 117 H VAL 117 5.413 -12.480 3.990 939 HA VAL 117 HA VAL 117 4.252 -10.071 5.228 940 HB VAL 117 HB VAL 117 3.990 -12.976 6.056 941 HG11 VAL 117 HG11 VAL 117 2.028 -12.132 7.270 942 HG12 VAL 117 HG12 VAL 117 3.511 -11.302 7.795 943 HG13 VAL 117 HG13 VAL 117 2.367 -10.493 6.692 944 HG21 VAL 117 HG21 VAL 117 1.693 -12.763 4.958 945 HG22 VAL 117 HG22 VAL 117 2.218 -11.233 4.275 946 HG23 VAL 117 HG23 VAL 117 3.016 -12.725 3.792 947 H GLU 118 H GLU 118 5.243 -9.085 6.905 948 HA GLU 118 HA GLU 118 7.576 -10.206 8.305 949 HB2 GLU 118 HB1 GLU 118 7.847 -9.164 5.760 950 HB3 GLU 118 HB2 GLU 118 8.146 -7.732 6.740 951 HG2 GLU 118 HG1 GLU 118 9.608 -10.341 7.252 952 HG3 GLU 118 HG2 GLU 118 10.147 -9.187 6.003 953 H ALA 119 H ALA 119 8.356 -8.549 9.953 954 HA ALA 119 HA ALA 119 5.770 -7.526 11.066 955 HB1 ALA 119 HB1 ALA 119 6.774 -8.091 13.246 956 HB2 ALA 119 HB2 ALA 119 6.792 -9.483 12.141 957 HB3 ALA 119 HB3 ALA 119 8.285 -8.560 12.440 958 H ARG 120 H ARG 120 5.498 -5.374 10.921 959 HA ARG 120 HA ARG 120 7.286 -3.601 12.359 960 HB2 ARG 120 HB1 ARG 120 7.860 -3.931 9.663 961 HB3 ARG 120 HB2 ARG 120 6.777 -2.529 9.623 962 HG2 ARG 120 HG1 ARG 120 8.423 -1.179 10.333 963 HG3 ARG 120 HG2 ARG 120 8.758 -2.196 11.744 964 HD2 ARG 120 HD1 ARG 120 9.884 -2.586 8.938 965 HD3 ARG 120 HD2 ARG 120 10.765 -1.979 10.359 966 HE ARG 120 HE ARG 120 9.920 -4.336 11.300 967 HH11 ARG 120 HH12 ARG 120 10.928 -4.046 7.916 968 HH12 ARG 120 HH11 ARG 120 11.243 -5.783 7.929 969 HH21 ARG 120 HH22 ARG 120 10.117 -6.354 10.979 970 HH22 ARG 120 HH21 ARG 120 10.822 -6.999 9.539 Start of MODEL 24 1 H1 GLY 1 1H GLY 1 13.633 -2.975 -7.628 2 H2 GLY 1 2H GLY 1 13.205 -1.670 -8.551 3 H3 GLY 1 3H GLY 1 14.750 -1.827 -7.984 4 HA2 GLY 1 HA3 GLY 1 13.442 -3.580 -9.959 5 HA3 GLY 1 HA2 GLY 1 14.701 -2.375 -10.311 6 H SER 2 H SER 2 14.021 -5.572 -9.087 7 HA SER 2 HA SER 2 16.457 -6.459 -7.907 8 HB2 SER 2 HB1 SER 2 15.858 -5.646 -5.579 9 HB3 SER 2 HB2 SER 2 16.474 -4.368 -6.653 10 HG SER 2 HG SER 2 14.425 -4.032 -5.321 11 H PHE 3 H PHE 3 15.468 -7.613 -5.610 12 HA PHE 3 HA PHE 3 13.438 -9.488 -6.350 13 HB2 PHE 3 HB1 PHE 3 14.212 -8.576 -3.558 14 HB3 PHE 3 HB2 PHE 3 13.540 -10.142 -4.024 15 HD1 PHE 3 HD1 PHE 3 14.998 -11.791 -5.281 16 HD2 PHE 3 HD2 PHE 3 16.562 -8.102 -3.684 17 HE1 PHE 3 HE1 PHE 3 17.306 -12.675 -5.492 18 HE2 PHE 3 HE2 PHE 3 18.871 -8.999 -3.884 19 HZ PHE 3 HZ PHE 3 19.245 -11.281 -4.794 20 H THR 4 H THR 4 13.363 -6.351 -5.046 21 HA THR 4 HA THR 4 11.685 -4.748 -5.092 22 HB THR 4 HB THR 4 9.582 -6.787 -4.374 23 HG1 THR 4 HG1 THR 4 10.306 -7.274 -6.382 24 HG21 THR 4 HG21 THR 4 8.068 -5.001 -5.259 25 HG22 THR 4 HG22 THR 4 9.467 -3.920 -5.420 26 HG23 THR 4 HG23 THR 4 8.950 -4.494 -3.814 27 H GLU 5 H GLU 5 11.333 -3.514 -3.372 28 HA GLU 5 HA GLU 5 12.299 -4.645 -0.803 29 HB2 GLU 5 HB1 GLU 5 12.813 -2.038 -0.552 30 HB3 GLU 5 HB2 GLU 5 13.922 -3.233 -1.262 31 HG2 GLU 5 HG1 GLU 5 12.203 -1.710 -3.115 32 HG3 GLU 5 HG2 GLU 5 13.572 -0.887 -2.319 33 H GLY 6 H GLY 6 9.852 -5.254 -0.798 34 HA2 GLY 6 HA3 GLY 6 8.372 -3.209 0.785 35 HA3 GLY 6 HA2 GLY 6 7.587 -4.012 -0.594 36 H TRP 7 H TRP 7 6.488 -4.136 1.984 37 HA TRP 7 HA TRP 7 6.421 -6.958 2.493 38 HB2 TRP 7 HB1 TRP 7 7.307 -7.009 4.698 39 HB3 TRP 7 HB2 TRP 7 8.544 -6.411 3.610 40 HD1 TRP 7 HD TRP 7 6.469 -5.528 6.603 41 HE1 TRP 7 HE1 TRP 7 7.857 -3.955 7.986 42 HE3 TRP 7 3HE TRP 7 9.704 -3.936 2.968 43 HZ2 TRP 7 HZ2 TRP 7 10.010 -2.033 7.551 44 HZ3 TRP 7 HZ3 TRP 7 11.354 -2.157 3.456 45 HH2 TRP 7 HH TRP 7 11.548 -1.225 5.753 46 H VAL 8 H VAL 8 4.971 -7.587 4.263 47 HA VAL 8 HA VAL 8 2.764 -5.570 4.625 48 HB VAL 8 HB VAL 8 2.649 -8.603 4.516 49 HG11 VAL 8 HG11 VAL 8 0.828 -7.755 5.959 50 HG12 VAL 8 HG12 VAL 8 0.377 -6.573 4.704 51 HG13 VAL 8 HG13 VAL 8 0.179 -8.305 4.421 52 HG21 VAL 8 HG21 VAL 8 1.344 -8.040 2.373 53 HG22 VAL 8 HG22 VAL 8 1.962 -6.397 2.528 54 HG23 VAL 8 HG23 VAL 8 3.083 -7.756 2.305 55 H ARG 9 H ARG 9 1.655 -5.435 6.664 56 HA ARG 9 HA ARG 9 3.406 -6.024 8.971 57 HB2 ARG 9 HB1 ARG 9 2.354 -3.776 8.690 58 HB3 ARG 9 HB2 ARG 9 0.760 -4.521 8.917 59 HG2 ARG 9 HG1 ARG 9 1.581 -5.429 11.125 60 HG3 ARG 9 HG2 ARG 9 3.089 -4.520 10.880 61 HD2 ARG 9 HD1 ARG 9 1.522 -2.443 10.667 62 HD3 ARG 9 HD2 ARG 9 0.278 -3.460 11.394 63 HE ARG 9 HE ARG 9 2.773 -2.430 12.605 64 HH11 ARG 9 HH12 ARG 9 0.113 -4.695 13.273 65 HH12 ARG 9 HH11 ARG 9 0.749 -5.030 14.857 66 HH21 ARG 9 HH22 ARG 9 3.464 -2.864 14.458 67 HH22 ARG 9 HH21 ARG 9 2.679 -3.980 15.566 68 H PHE 10 H PHE 10 3.215 -8.003 9.775 69 HA PHE 10 HA PHE 10 1.252 -9.865 10.069 70 HB2 PHE 10 HB1 PHE 10 3.494 -10.115 10.903 71 HB3 PHE 10 HB2 PHE 10 3.301 -8.764 12.032 72 HD1 PHE 10 HD1 PHE 10 2.347 -12.273 11.285 73 HD2 PHE 10 HD2 PHE 10 2.214 -9.096 14.189 74 HE1 PHE 10 HE1 PHE 10 1.445 -13.857 12.966 75 HE2 PHE 10 HE2 PHE 10 1.266 -10.664 15.864 76 HZ PHE 10 HZ PHE 10 0.818 -13.018 15.242 77 H SER 11 H SER 11 -0.901 -9.610 10.634 78 HA SER 11 HA SER 11 -1.470 -9.090 13.423 79 HB2 SER 11 HB1 SER 11 -2.390 -7.232 11.214 80 HB3 SER 11 HB2 SER 11 -3.373 -7.509 12.661 81 HG SER 11 HG SER 11 -0.633 -6.861 12.806 82 HA PRO 12 HA PRO 12 -4.307 -12.210 11.584 83 HB2 PRO 12 HB1 PRO 12 -4.169 -14.125 13.479 84 HB3 PRO 12 HB2 PRO 12 -2.814 -13.846 12.336 85 HG2 PRO 12 HG1 PRO 12 -3.092 -12.776 15.159 86 HG3 PRO 12 HG2 PRO 12 -1.689 -13.644 14.441 87 HD2 PRO 12 HD1 PRO 12 -1.838 -10.900 14.564 88 HD3 PRO 12 HD2 PRO 12 -1.046 -11.750 13.204 89 H GLY 13 H GLY 13 -5.606 -10.198 12.060 90 HA2 GLY 13 HA3 GLY 13 -7.546 -10.655 14.264 91 HA3 GLY 13 HA2 GLY 13 -6.659 -9.115 14.201 92 HA PRO 14 HA PRO 14 -10.513 -8.438 11.792 93 HB2 PRO 14 HB1 PRO 14 -11.157 -5.964 12.705 94 HB3 PRO 14 HB2 PRO 14 -11.444 -7.439 13.678 95 HG2 PRO 14 HG1 PRO 14 -9.097 -5.526 13.853 96 HG3 PRO 14 HG2 PRO 14 -10.116 -6.154 15.198 97 HD2 PRO 14 HD1 PRO 14 -7.699 -7.268 14.516 98 HD3 PRO 14 HD2 PRO 14 -9.058 -8.256 15.123 99 H ASN 15 H ASN 15 -7.497 -6.590 11.992 100 HA ASN 15 HA ASN 15 -7.695 -5.806 9.239 101 HB2 ASN 15 HB1 ASN 15 -7.429 -3.382 9.714 102 HB3 ASN 15 HB2 ASN 15 -9.008 -4.029 10.172 103 HD21 ASN 15 HD21 ASN 15 -9.694 -2.934 11.948 104 HD22 ASN 15 HD22 ASN 15 -8.664 -2.489 13.304 105 H ALA 16 H ALA 16 -5.794 -4.444 8.577 106 HA ALA 16 HA ALA 16 -3.276 -4.686 9.977 107 HB1 ALA 16 HB1 ALA 16 -3.645 -7.076 9.316 108 HB2 ALA 16 HB2 ALA 16 -3.794 -6.583 7.629 109 HB3 ALA 16 HB3 ALA 16 -2.250 -6.385 8.481 110 H ALA 17 H ALA 17 -1.415 -4.463 8.098 111 HA ALA 17 HA ALA 17 -2.193 -2.238 6.279 112 HB1 ALA 17 HB1 ALA 17 -1.187 -1.403 8.473 113 HB2 ALA 17 HB2 ALA 17 0.285 -2.296 8.061 114 HB3 ALA 17 HB3 ALA 17 -0.258 -0.971 7.019 115 H ALA 18 H ALA 18 -1.018 -2.232 4.293 116 HA ALA 18 HA ALA 18 1.334 -4.075 4.118 117 HB1 ALA 18 HB1 ALA 18 0.777 -4.526 1.763 118 HB2 ALA 18 HB2 ALA 18 -0.491 -5.104 2.861 119 HB3 ALA 18 HB3 ALA 18 -0.724 -3.614 1.930 120 H TYR 19 H TYR 19 3.135 -3.350 3.241 121 HA TYR 19 HA TYR 19 3.320 -0.494 2.384 122 HB2 TYR 19 HB1 TYR 19 5.545 -2.087 3.645 123 HB3 TYR 19 HB2 TYR 19 5.372 -0.338 3.550 124 HD1 TYR 19 HD2 TYR 19 3.060 0.478 4.877 125 HD2 TYR 19 HD1 TYR 19 5.407 -3.029 5.723 126 HE1 TYR 19 HE2 TYR 19 2.323 0.545 7.262 127 HE2 TYR 19 HE1 TYR 19 4.700 -2.969 8.097 128 HH TYR 19 HH TYR 19 3.685 -1.604 9.795 129 H LEU 20 H LEU 20 4.813 -0.059 0.638 130 HA LEU 20 HA LEU 20 6.549 -2.066 -0.416 131 HB2 LEU 20 HB1 LEU 20 5.489 -2.441 -2.617 132 HB3 LEU 20 HB2 LEU 20 4.623 -3.177 -1.256 133 HG LEU 20 HG LEU 20 3.348 -0.705 -1.573 134 HD11 LEU 20 HD11 LEU 20 4.533 -0.326 -3.713 135 HD12 LEU 20 HD12 LEU 20 2.791 -0.546 -3.962 136 HD13 LEU 20 HD13 LEU 20 3.913 -1.870 -4.337 137 HD21 LEU 20 HD21 LEU 20 2.310 -2.904 -1.093 138 HD22 LEU 20 HD22 LEU 20 2.550 -3.379 -2.792 139 HD23 LEU 20 HD23 LEU 20 1.477 -2.021 -2.370 140 H THR 21 H THR 21 7.908 -1.476 -2.018 141 HA THR 21 HA THR 21 8.268 1.340 -2.674 142 HB THR 21 HB THR 21 10.092 -0.305 -4.126 143 HG1 THR 21 HG1 THR 21 10.122 -1.346 -1.560 144 HG21 THR 21 HG21 THR 21 11.724 0.569 -2.553 145 HG22 THR 21 HG22 THR 21 10.417 1.090 -1.464 146 HG23 THR 21 HG23 THR 21 10.597 1.821 -3.086 147 H LEU 22 H LEU 22 6.599 1.961 -4.052 148 HA LEU 22 HA LEU 22 6.034 0.251 -6.416 149 HB2 LEU 22 HB1 LEU 22 4.388 1.741 -4.949 150 HB3 LEU 22 HB2 LEU 22 4.875 2.973 -6.121 151 HG LEU 22 HG LEU 22 3.491 0.305 -6.604 152 HD11 LEU 22 HD11 LEU 22 2.364 2.443 -5.906 153 HD12 LEU 22 HD12 LEU 22 1.767 1.738 -7.439 154 HD13 LEU 22 HD13 LEU 22 2.880 3.135 -7.457 155 HD21 LEU 22 HD21 LEU 22 4.725 2.087 -8.762 156 HD22 LEU 22 HD22 LEU 22 3.449 0.901 -9.067 157 HD23 LEU 22 HD23 LEU 22 5.013 0.344 -8.495 158 H GLU 23 H GLU 23 6.947 0.610 -8.346 159 HA GLU 23 HA GLU 23 8.502 3.054 -8.892 160 HB2 GLU 23 HB1 GLU 23 10.503 1.906 -9.504 161 HB3 GLU 23 HB2 GLU 23 10.102 1.498 -7.823 162 HG2 GLU 23 HG1 GLU 23 9.328 -0.709 -8.516 163 HG3 GLU 23 HG2 GLU 23 9.660 -0.316 -10.218 164 H ASN 24 H ASN 24 8.816 3.537 -11.016 165 HA ASN 24 HA ASN 24 7.037 2.016 -12.867 166 HB2 ASN 24 HB1 ASN 24 6.299 4.252 -12.114 167 HB3 ASN 24 HB2 ASN 24 7.737 4.960 -12.856 168 HD21 ASN 24 HD21 ASN 24 5.910 6.151 -14.011 169 HD22 ASN 24 HD22 ASN 24 5.393 5.412 -15.529 170 HA PRO 25 HA PRO 25 10.921 1.836 -15.295 171 HB2 PRO 25 HB1 PRO 25 10.445 -0.474 -16.664 172 HB3 PRO 25 HB2 PRO 25 10.949 -0.487 -14.946 173 HG2 PRO 25 HG1 PRO 25 8.130 -0.678 -16.052 174 HG3 PRO 25 HG2 PRO 25 8.910 -1.752 -14.837 175 HD2 PRO 25 HD1 PRO 25 7.292 0.356 -14.140 176 HD3 PRO 25 HD2 PRO 25 8.699 -0.123 -13.148 177 H GLY 26 H GLY 26 7.597 2.273 -16.090 178 HA2 GLY 26 HA3 GLY 26 7.709 2.202 -18.955 179 HA3 GLY 26 HA2 GLY 26 6.431 2.891 -17.927 180 H ASP 27 H ASP 27 7.060 4.072 -20.290 181 HA ASP 27 HA ASP 27 8.874 6.372 -19.989 182 HB2 ASP 27 HB1 ASP 27 8.168 6.784 -22.290 183 HB3 ASP 27 HB2 ASP 27 8.666 5.093 -22.114 184 H LEU 28 H LEU 28 5.430 5.611 -19.950 185 HA LEU 28 HA LEU 28 4.711 8.397 -19.264 186 HB2 LEU 28 HB1 LEU 28 2.441 7.703 -19.753 187 HB3 LEU 28 HB2 LEU 28 3.570 7.322 -21.087 188 HG LEU 28 HG LEU 28 3.540 4.911 -20.243 189 HD11 LEU 28 HD11 LEU 28 2.600 5.101 -18.011 190 HD12 LEU 28 HD12 LEU 28 1.401 4.291 -19.006 191 HD13 LEU 28 HD13 LEU 28 1.202 6.015 -18.615 192 HD21 LEU 28 HD21 LEU 28 0.938 6.156 -21.241 193 HD22 LEU 28 HD22 LEU 28 1.404 4.445 -21.393 194 HD23 LEU 28 HD23 LEU 28 2.329 5.687 -22.248 195 HA PRO 29 HA PRO 29 4.391 7.607 -15.009 196 HB2 PRO 29 HB1 PRO 29 2.339 9.096 -14.044 197 HB3 PRO 29 HB2 PRO 29 3.769 9.829 -14.828 198 HG2 PRO 29 HG1 PRO 29 1.072 9.239 -16.054 199 HG3 PRO 29 HG2 PRO 29 2.048 10.743 -16.185 200 HD2 PRO 29 HD1 PRO 29 2.020 8.755 -18.105 201 HD3 PRO 29 HD2 PRO 29 3.448 9.773 -17.813 202 H LEU 30 H LEU 30 3.298 6.503 -13.193 203 HA LEU 30 HA LEU 30 1.018 4.724 -13.967 204 HB2 LEU 30 HB1 LEU 30 2.932 4.519 -11.646 205 HB3 LEU 30 HB2 LEU 30 1.547 3.455 -11.932 206 HG LEU 30 HG LEU 30 3.944 3.860 -13.613 207 HD11 LEU 30 HD11 LEU 30 4.459 1.485 -13.052 208 HD12 LEU 30 HD12 LEU 30 2.923 1.409 -12.154 209 HD13 LEU 30 HD13 LEU 30 4.243 2.462 -11.582 210 HD21 LEU 30 HD21 LEU 30 2.285 3.441 -15.254 211 HD22 LEU 30 HD22 LEU 30 1.674 2.026 -14.341 212 HD23 LEU 30 HD23 LEU 30 3.302 2.018 -15.083 213 H ARG 31 H ARG 31 -0.758 4.804 -12.870 214 HA ARG 31 HA ARG 31 -1.071 6.598 -10.475 215 HB2 ARG 31 HB1 ARG 31 -2.054 7.807 -12.321 216 HB3 ARG 31 HB2 ARG 31 -3.031 6.388 -12.767 217 HG2 ARG 31 HG1 ARG 31 -4.638 6.949 -11.330 218 HG3 ARG 31 HG2 ARG 31 -3.505 7.106 -9.976 219 HD2 ARG 31 HD1 ARG 31 -4.753 9.162 -10.320 220 HD3 ARG 31 HD2 ARG 31 -3.024 9.399 -10.562 221 HE ARG 31 HE ARG 31 -4.980 9.042 -12.807 222 HH11 ARG 31 HH12 ARG 31 -2.387 11.096 -11.379 223 HH12 ARG 31 HH11 ARG 31 -2.147 11.931 -12.830 224 HH21 ARG 31 HH22 ARG 31 -4.686 10.318 -14.629 225 HH22 ARG 31 HH21 ARG 31 -3.508 11.601 -14.588 226 H LEU 32 H LEU 32 -1.495 5.370 -8.810 227 HA LEU 32 HA LEU 32 -2.533 2.602 -9.102 228 HB2 LEU 32 HB1 LEU 32 -0.400 2.942 -7.940 229 HB3 LEU 32 HB2 LEU 32 -1.153 4.144 -6.864 230 HG LEU 32 HG LEU 32 -2.695 2.197 -6.086 231 HD11 LEU 32 HD11 LEU 32 -0.431 0.555 -7.305 232 HD12 LEU 32 HD12 LEU 32 -2.040 0.666 -8.006 233 HD13 LEU 32 HD13 LEU 32 -1.844 -0.050 -6.406 234 HD21 LEU 32 HD21 LEU 32 -0.818 3.198 -4.758 235 HD22 LEU 32 HD22 LEU 32 0.269 1.981 -5.447 236 HD23 LEU 32 HD23 LEU 32 -1.080 1.475 -4.432 237 H VAL 33 H VAL 33 -4.610 2.212 -8.609 238 HA VAL 33 HA VAL 33 -6.162 4.299 -7.103 239 HB VAL 33 HB VAL 33 -8.097 3.749 -8.510 240 HG11 VAL 33 HG11 VAL 33 -5.658 4.379 -10.237 241 HG12 VAL 33 HG12 VAL 33 -7.349 4.766 -10.596 242 HG13 VAL 33 HG13 VAL 33 -6.535 5.551 -9.237 243 HG21 VAL 33 HG21 VAL 33 -6.244 1.961 -10.149 244 HG22 VAL 33 HG22 VAL 33 -7.534 1.369 -9.078 245 HG23 VAL 33 HG23 VAL 33 -7.930 2.345 -10.502 246 H GLY 34 H GLY 34 -5.126 1.083 -6.841 247 HA2 GLY 34 HA3 GLY 34 -6.368 0.642 -4.391 248 HA3 GLY 34 HA2 GLY 34 -7.363 -0.171 -5.621 249 H ALA 35 H ALA 35 -6.703 -2.110 -4.424 250 HA ALA 35 HA ALA 35 -4.757 -3.485 -5.967 251 HB1 ALA 35 HB1 ALA 35 -3.235 -2.615 -4.230 252 HB2 ALA 35 HB2 ALA 35 -4.199 -3.435 -2.980 253 HB3 ALA 35 HB3 ALA 35 -3.338 -4.362 -4.245 254 H ARG 36 H ARG 36 -4.680 -5.924 -4.922 255 HA ARG 36 HA ARG 36 -7.029 -6.672 -3.381 256 HB2 ARG 36 HB1 ARG 36 -8.021 -8.246 -4.936 257 HB3 ARG 36 HB2 ARG 36 -8.069 -6.611 -5.623 258 HG2 ARG 36 HG1 ARG 36 -6.067 -7.180 -6.998 259 HG3 ARG 36 HG2 ARG 36 -6.122 -8.837 -6.345 260 HD2 ARG 36 HD1 ARG 36 -8.401 -9.097 -7.341 261 HD3 ARG 36 HD2 ARG 36 -8.206 -7.503 -8.098 262 HE ARG 36 HE ARG 36 -5.934 -9.091 -8.780 263 HH11 ARG 36 HH12 ARG 36 -9.395 -9.120 -9.594 264 HH12 ARG 36 HH11 ARG 36 -9.076 -9.844 -11.145 265 HH21 ARG 36 HH22 ARG 36 -5.625 -10.039 -10.619 266 HH22 ARG 36 HH21 ARG 36 -6.925 -10.418 -11.733 267 H THR 37 H THR 37 -6.667 -8.641 -2.288 268 HA THR 37 HA THR 37 -4.090 -10.075 -2.793 269 HB THR 37 HB THR 37 -3.568 -8.323 -1.317 270 HG1 THR 37 HG1 THR 37 -2.532 -10.249 -1.032 271 HG21 THR 37 HG21 THR 37 -5.673 -7.843 -0.148 272 HG22 THR 37 HG22 THR 37 -4.361 -8.198 0.986 273 HG23 THR 37 HG23 THR 37 -5.594 -9.428 0.653 274 HA PRO 38 HA PRO 38 -6.982 -13.415 -1.811 275 HB2 PRO 38 HB1 PRO 38 -5.342 -15.476 -1.078 276 HB3 PRO 38 HB2 PRO 38 -5.477 -14.835 -2.750 277 HG2 PRO 38 HG1 PRO 38 -3.374 -14.135 -0.700 278 HG3 PRO 38 HG2 PRO 38 -3.124 -14.685 -2.397 279 HD2 PRO 38 HD1 PRO 38 -3.138 -12.047 -1.757 280 HD3 PRO 38 HD2 PRO 38 -3.892 -12.616 -3.267 281 H VAL 39 H VAL 39 -4.856 -12.139 0.548 282 HA VAL 39 HA VAL 39 -6.048 -13.618 2.785 283 HB VAL 39 HB VAL 39 -4.393 -12.650 4.195 284 HG11 VAL 39 HG11 VAL 39 -2.323 -13.242 3.098 285 HG12 VAL 39 HG12 VAL 39 -3.587 -14.335 2.518 286 HG13 VAL 39 HG13 VAL 39 -3.021 -12.991 1.494 287 HG21 VAL 39 HG21 VAL 39 -2.854 -10.798 3.393 288 HG22 VAL 39 HG22 VAL 39 -3.924 -10.585 2.009 289 HG23 VAL 39 HG23 VAL 39 -4.519 -10.282 3.649 290 H ALA 40 H ALA 40 -7.331 -10.896 1.256 291 HA ALA 40 HA ALA 40 -8.567 -9.988 3.812 292 HB1 ALA 40 HB1 ALA 40 -7.321 -8.081 1.801 293 HB2 ALA 40 HB2 ALA 40 -8.110 -7.667 3.330 294 HB3 ALA 40 HB3 ALA 40 -6.571 -8.549 3.349 295 H GLU 41 H GLU 41 -10.578 -9.114 3.683 296 HA GLU 41 HA GLU 41 -12.182 -9.709 1.311 297 HB2 GLU 41 HB1 GLU 41 -12.719 -10.050 3.852 298 HB3 GLU 41 HB2 GLU 41 -13.110 -8.325 3.863 299 HG2 GLU 41 HG1 GLU 41 -15.156 -9.551 3.518 300 HG3 GLU 41 HG2 GLU 41 -14.750 -8.758 1.990 301 H ARG 42 H ARG 42 -11.491 -6.811 3.298 302 HA ARG 42 HA ARG 42 -11.952 -5.087 0.897 303 HB2 ARG 42 HB1 ARG 42 -13.420 -4.700 2.929 304 HB3 ARG 42 HB2 ARG 42 -11.960 -4.214 3.807 305 HG2 ARG 42 HG1 ARG 42 -11.553 -2.530 1.934 306 HG3 ARG 42 HG2 ARG 42 -13.166 -2.916 1.318 307 HD2 ARG 42 HD1 ARG 42 -12.509 -1.752 4.057 308 HD3 ARG 42 HD2 ARG 42 -13.139 -0.873 2.632 309 HE ARG 42 HE ARG 42 -14.856 -3.051 3.384 310 HH11 ARG 42 HH12 ARG 42 -14.001 0.284 4.272 311 HH12 ARG 42 HH11 ARG 42 -15.575 0.640 4.895 312 HH21 ARG 42 HH22 ARG 42 -16.872 -2.566 4.223 313 HH22 ARG 42 HH21 ARG 42 -17.193 -0.986 4.894 314 H VAL 43 H VAL 43 -10.341 -3.844 0.214 315 HA VAL 43 HA VAL 43 -8.119 -3.165 2.013 316 HB VAL 43 HB VAL 43 -7.039 -4.713 0.590 317 HG11 VAL 43 HG11 VAL 43 -8.602 -4.856 -1.309 318 HG12 VAL 43 HG12 VAL 43 -8.093 -3.243 -1.856 319 HG13 VAL 43 HG13 VAL 43 -6.937 -4.594 -1.838 320 HG21 VAL 43 HG21 VAL 43 -6.353 -1.985 -0.562 321 HG22 VAL 43 HG22 VAL 43 -5.874 -2.525 1.059 322 HG23 VAL 43 HG23 VAL 43 -5.284 -3.390 -0.375 323 H GLU 44 H GLU 44 -7.716 -1.027 2.104 324 HA GLU 44 HA GLU 44 -8.941 0.862 0.113 325 HB2 GLU 44 HB1 GLU 44 -8.696 1.138 3.140 326 HB3 GLU 44 HB2 GLU 44 -9.226 2.420 2.023 327 HG2 GLU 44 HG1 GLU 44 -11.222 1.126 1.458 328 HG3 GLU 44 HG2 GLU 44 -10.688 -0.202 2.511 329 H LEU 45 H LEU 45 -7.266 2.296 -0.754 330 HA LEU 45 HA LEU 45 -4.701 2.332 0.647 331 HB2 LEU 45 HB1 LEU 45 -5.052 2.266 -1.882 332 HB3 LEU 45 HB2 LEU 45 -5.541 3.955 -1.788 333 HG LEU 45 HG LEU 45 -2.935 3.032 -0.503 334 HD11 LEU 45 HD11 LEU 45 -2.900 2.144 -2.762 335 HD12 LEU 45 HD12 LEU 45 -1.784 3.519 -2.610 336 HD13 LEU 45 HD13 LEU 45 -3.368 3.714 -3.429 337 HD21 LEU 45 HD21 LEU 45 -3.662 5.578 -2.004 338 HD22 LEU 45 HD22 LEU 45 -2.155 5.261 -1.108 339 HD23 LEU 45 HD23 LEU 45 -3.676 5.424 -0.225 340 H HIS 46 H HIS 46 -4.190 3.663 2.154 341 HA HIS 46 HA HIS 46 -5.736 6.145 2.622 342 HB2 HIS 46 HB1 HIS 46 -4.256 4.300 4.492 343 HB3 HIS 46 HB2 HIS 46 -4.770 5.928 4.969 344 HD2 HIS 46 HD2 HIS 46 -7.469 4.034 2.998 345 HE1 HIS 46 HE1 HIS 46 -8.512 3.747 7.084 346 HE2 HIS 46 HE2 HIS 46 -9.285 3.274 4.700 347 H GLU 47 H GLU 47 -4.676 7.960 3.356 348 HA GLU 47 HA GLU 47 -1.827 8.379 2.555 349 HB2 GLU 47 HB1 GLU 47 -2.315 10.767 2.713 350 HB3 GLU 47 HB2 GLU 47 -3.440 9.978 1.588 351 HG2 GLU 47 HG1 GLU 47 -5.206 10.017 3.220 352 HG3 GLU 47 HG2 GLU 47 -4.123 10.551 4.511 353 H THR 48 H THR 48 -0.864 10.200 4.138 354 HA THR 48 HA THR 48 -1.816 9.996 6.917 355 HB THR 48 HB THR 48 1.136 9.677 6.381 356 HG1 THR 48 HG1 THR 48 -0.929 7.930 6.276 357 HG21 THR 48 HG21 THR 48 0.586 10.619 8.573 358 HG22 THR 48 HG22 THR 48 1.055 8.927 8.794 359 HG23 THR 48 HG23 THR 48 -0.658 9.385 8.838 360 H PHE 49 H PHE 49 -2.624 12.046 6.455 361 HA PHE 49 HA PHE 49 -1.014 14.104 5.250 362 HB2 PHE 49 HB1 PHE 49 -2.946 15.547 5.676 363 HB3 PHE 49 HB2 PHE 49 -3.392 14.039 4.880 364 HD1 PHE 49 HD1 PHE 49 -3.433 15.904 8.102 365 HD2 PHE 49 HD2 PHE 49 -4.859 12.413 6.052 366 HE1 PHE 49 HE1 PHE 49 -5.009 15.512 9.918 367 HE2 PHE 49 HE2 PHE 49 -6.425 11.982 7.903 368 HZ PHE 49 HZ PHE 49 -6.569 13.537 9.807 369 H MET 50 H MET 50 -0.149 15.863 6.093 370 HA MET 50 HA MET 50 0.633 15.795 8.975 371 HB2 MET 50 HB1 MET 50 1.994 16.876 6.475 372 HB3 MET 50 HB2 MET 50 2.648 17.052 8.123 373 HG2 MET 50 HG1 MET 50 2.886 14.729 8.414 374 HG3 MET 50 HG2 MET 50 1.851 14.346 7.030 375 HE1 MET 50 HE1 MET 50 6.065 16.192 6.478 376 HE2 MET 50 HE2 MET 50 4.591 17.158 6.695 377 HE3 MET 50 HE3 MET 50 5.197 16.144 8.035 378 H ARG 51 H ARG 51 -1.739 16.855 8.368 379 HA ARG 51 HA ARG 51 -1.750 19.660 7.626 380 HB2 ARG 51 HB1 ARG 51 -3.591 17.932 7.228 381 HB3 ARG 51 HB2 ARG 51 -4.062 18.167 8.915 382 HG2 ARG 51 HG1 ARG 51 -4.173 20.716 8.200 383 HG3 ARG 51 HG2 ARG 51 -4.263 20.064 6.554 384 HD2 ARG 51 HD1 ARG 51 -6.328 18.907 7.056 385 HD3 ARG 51 HD2 ARG 51 -6.173 19.228 8.791 386 HE ARG 51 HE ARG 51 -6.925 21.155 6.657 387 HH11 ARG 51 HH12 ARG 51 -6.362 20.752 10.173 388 HH12 ARG 51 HH11 ARG 51 -6.826 22.408 10.449 389 HH21 ARG 51 HH22 ARG 51 -7.454 23.358 7.299 390 HH22 ARG 51 HH21 ARG 51 -7.183 23.727 8.999 391 H GLU 52 H GLU 52 -2.465 21.417 8.852 392 HA GLU 52 HA GLU 52 -2.224 21.832 11.694 393 HB2 GLU 52 HB1 GLU 52 -2.305 23.553 10.028 394 HB3 GLU 52 HB2 GLU 52 -3.891 23.083 9.482 395 HG2 GLU 52 HG1 GLU 52 -3.382 23.857 12.351 396 HG3 GLU 52 HG2 GLU 52 -3.544 25.100 11.106 397 H VAL 53 H VAL 53 -4.260 21.965 13.081 398 HA VAL 53 HA VAL 53 -6.550 20.511 12.586 399 HB VAL 53 HB VAL 53 -4.850 18.635 12.753 400 HG11 VAL 53 HG11 VAL 53 -4.305 17.780 14.924 401 HG12 VAL 53 HG12 VAL 53 -3.732 19.460 14.770 402 HG13 VAL 53 HG13 VAL 53 -5.198 19.098 15.707 403 HG21 VAL 53 HG21 VAL 53 -7.352 18.478 14.488 404 HG22 VAL 53 HG22 VAL 53 -7.297 18.263 12.724 405 HG23 VAL 53 HG23 VAL 53 -6.472 17.106 13.783 406 H GLU 54 H GLU 54 -4.384 21.780 14.867 407 HA GLU 54 HA GLU 54 -6.517 23.343 16.219 408 HB2 GLU 54 HB1 GLU 54 -4.287 21.805 17.590 409 HB3 GLU 54 HB2 GLU 54 -5.336 22.977 18.405 410 HG2 GLU 54 HG1 GLU 54 -7.223 21.486 18.259 411 HG3 GLU 54 HG2 GLU 54 -6.319 20.346 17.241 412 H GLY 55 H GLY 55 -4.853 24.226 14.136 413 HA2 GLY 55 HA3 GLY 55 -3.129 25.615 13.456 414 HA3 GLY 55 HA2 GLY 55 -2.871 26.098 15.148 415 H LYS 56 H LYS 56 -2.395 23.415 16.101 416 HA LYS 56 HA LYS 56 0.388 22.904 15.627 417 HB2 LYS 56 HB1 LYS 56 -1.895 21.279 16.828 418 HB3 LYS 56 HB2 LYS 56 -0.196 20.758 16.856 419 HG2 LYS 56 HG1 LYS 56 0.421 22.693 18.196 420 HG3 LYS 56 HG2 LYS 56 -1.228 23.339 18.121 421 HD2 LYS 56 HD1 LYS 56 -0.464 20.691 19.426 422 HD3 LYS 56 HD2 LYS 56 -0.704 22.239 20.286 423 HE2 LYS 56 HE1 LYS 56 -3.019 22.336 19.378 424 HE3 LYS 56 HE2 LYS 56 -2.789 20.739 18.634 425 HZ1 LYS 56 HZ1 LYS 56 -2.895 21.326 21.522 426 HZ2 LYS 56 HZ2 LYS 56 -2.551 19.823 20.856 427 HZ3 LYS 56 HZ3 LYS 56 -3.976 20.536 20.593 428 H LYS 57 H LYS 57 1.379 21.520 14.177 429 HA LYS 57 HA LYS 57 -0.269 20.350 12.030 430 HB2 LYS 57 HB1 LYS 57 2.670 20.845 12.328 431 HB3 LYS 57 HB2 LYS 57 2.023 19.741 11.077 432 HG2 LYS 57 HG1 LYS 57 0.739 21.452 10.058 433 HG3 LYS 57 HG2 LYS 57 0.975 22.583 11.404 434 HD2 LYS 57 HD1 LYS 57 3.232 21.584 9.612 435 HD3 LYS 57 HD2 LYS 57 2.331 23.108 9.363 436 HE2 LYS 57 HE1 LYS 57 2.977 23.861 11.627 437 HE3 LYS 57 HE2 LYS 57 3.829 22.328 11.898 438 HZ1 LYS 57 HZ1 LYS 57 5.335 24.122 11.265 439 HZ2 LYS 57 HZ2 LYS 57 4.524 24.387 9.865 440 HZ3 LYS 57 HZ3 LYS 57 5.337 22.977 10.090 441 H VAL 58 H VAL 58 -0.748 18.140 11.926 442 HA VAL 58 HA VAL 58 0.608 16.259 13.823 443 HB VAL 58 HB VAL 58 -2.371 16.800 13.618 444 HG11 VAL 58 HG11 VAL 58 -0.896 14.667 15.222 445 HG12 VAL 58 HG12 VAL 58 -2.595 15.120 15.483 446 HG13 VAL 58 HG13 VAL 58 -2.116 14.407 13.950 447 HG21 VAL 58 HG21 VAL 58 -2.155 17.345 16.071 448 HG22 VAL 58 HG22 VAL 58 -0.394 17.197 15.911 449 HG23 VAL 58 HG23 VAL 58 -1.279 18.469 15.038 450 H MET 59 H MET 59 0.383 14.039 13.249 451 HA MET 59 HA MET 59 -0.259 13.523 10.403 452 HB2 MET 59 HB1 MET 59 1.529 12.182 12.354 453 HB3 MET 59 HB2 MET 59 0.772 11.207 11.062 454 HG2 MET 59 HG1 MET 59 1.614 12.647 9.350 455 HG3 MET 59 HG2 MET 59 2.221 13.815 10.528 456 HE1 MET 59 HE1 MET 59 3.692 12.089 12.709 457 HE2 MET 59 HE2 MET 59 5.318 12.324 12.027 458 HE3 MET 59 HE3 MET 59 4.109 13.636 11.948 459 H GLY 60 H GLY 60 -2.152 12.713 9.875 460 HA2 GLY 60 HA3 GLY 60 -3.380 10.593 11.550 461 HA3 GLY 60 HA2 GLY 60 -4.396 11.951 11.015 462 H MET 61 H MET 61 -4.973 9.280 10.270 463 HA MET 61 HA MET 61 -4.156 9.087 7.401 464 HB2 MET 61 HB1 MET 61 -5.234 7.034 9.350 465 HB3 MET 61 HB2 MET 61 -4.998 6.746 7.600 466 HG2 MET 61 HG1 MET 61 -3.113 5.839 8.583 467 HG3 MET 61 HG2 MET 61 -2.576 7.382 7.932 468 HE1 MET 61 HE1 MET 61 -0.387 6.956 9.199 469 HE2 MET 61 HE2 MET 61 -0.220 6.805 10.962 470 HE3 MET 61 HE3 MET 61 -0.962 5.490 10.015 471 H ARG 62 H ARG 62 -5.616 8.643 5.812 472 HA ARG 62 HA ARG 62 -8.529 8.565 6.254 473 HB2 ARG 62 HB1 ARG 62 -7.060 10.711 4.701 474 HB3 ARG 62 HB2 ARG 62 -8.660 10.165 4.143 475 HG2 ARG 62 HG1 ARG 62 -9.726 10.967 6.111 476 HG3 ARG 62 HG2 ARG 62 -8.173 11.290 6.908 477 HD2 ARG 62 HD1 ARG 62 -9.009 13.389 6.141 478 HD3 ARG 62 HD2 ARG 62 -7.652 12.971 5.112 479 HE ARG 62 HE ARG 62 -10.563 12.760 4.418 480 HH11 ARG 62 HH12 ARG 62 -7.221 13.010 3.161 481 HH12 ARG 62 HH11 ARG 62 -7.764 13.362 1.572 482 HH21 ARG 62 HH22 ARG 62 -11.179 13.182 2.316 483 HH22 ARG 62 HH21 ARG 62 -9.970 13.454 1.094 484 HA PRO 63 HA PRO 63 -7.708 6.070 2.450 485 HB2 PRO 63 HB1 PRO 63 -10.269 5.784 1.511 486 HB3 PRO 63 HB2 PRO 63 -9.518 4.695 2.692 487 HG2 PRO 63 HG1 PRO 63 -11.383 6.973 3.174 488 HG3 PRO 63 HG2 PRO 63 -11.316 5.402 4.023 489 HD2 PRO 63 HD1 PRO 63 -10.307 7.780 5.037 490 HD3 PRO 63 HD2 PRO 63 -9.618 6.185 5.449 491 H VAL 64 H VAL 64 -7.489 6.578 0.372 492 HA VAL 64 HA VAL 64 -8.388 9.287 -0.566 493 HB VAL 64 HB VAL 64 -6.193 9.174 -1.963 494 HG11 VAL 64 HG11 VAL 64 -6.676 10.860 -0.283 495 HG12 VAL 64 HG12 VAL 64 -6.078 9.781 1.003 496 HG13 VAL 64 HG13 VAL 64 -4.971 10.388 -0.258 497 HG21 VAL 64 HG21 VAL 64 -5.538 6.866 -1.329 498 HG22 VAL 64 HG22 VAL 64 -4.285 8.081 -1.010 499 HG23 VAL 64 HG23 VAL 64 -5.241 7.435 0.333 500 HA PRO 65 HA PRO 65 -9.817 7.195 -4.166 501 HB2 PRO 65 HB1 PRO 65 -9.638 9.046 -6.153 502 HB3 PRO 65 HB2 PRO 65 -10.767 9.216 -4.774 503 HG2 PRO 65 HG1 PRO 65 -8.002 10.438 -5.066 504 HG3 PRO 65 HG2 PRO 65 -9.537 11.272 -4.626 505 HD2 PRO 65 HD1 PRO 65 -7.778 10.424 -2.724 506 HD3 PRO 65 HD2 PRO 65 -9.543 10.293 -2.469 507 H PHE 66 H PHE 66 -6.418 8.324 -4.162 508 HA PHE 66 HA PHE 66 -5.514 6.128 -5.647 509 HB2 PHE 66 HB1 PHE 66 -4.769 7.143 -7.721 510 HB3 PHE 66 HB2 PHE 66 -6.523 7.139 -7.623 511 HD1 PHE 66 HD1 PHE 66 -3.475 9.269 -7.514 512 HD2 PHE 66 HD2 PHE 66 -7.782 9.192 -7.657 513 HE1 PHE 66 HE1 PHE 66 -3.488 11.654 -8.132 514 HE2 PHE 66 HE2 PHE 66 -7.799 11.601 -8.266 515 HZ PHE 66 HZ PHE 66 -5.648 12.837 -8.515 516 H LEU 67 H LEU 67 -3.288 6.363 -6.345 517 HA LEU 67 HA LEU 67 -1.644 8.538 -5.233 518 HB2 LEU 67 HB1 LEU 67 -1.575 5.732 -4.448 519 HB3 LEU 67 HB2 LEU 67 -0.081 6.105 -5.324 520 HG LEU 67 HG LEU 67 -1.138 7.462 -2.817 521 HD11 LEU 67 HD11 LEU 67 1.041 6.464 -1.912 522 HD12 LEU 67 HD12 LEU 67 1.261 5.644 -3.454 523 HD13 LEU 67 HD13 LEU 67 -0.134 5.242 -2.431 524 HD21 LEU 67 HD21 LEU 67 1.073 8.673 -2.794 525 HD22 LEU 67 HD22 LEU 67 0.062 9.184 -4.138 526 HD23 LEU 67 HD23 LEU 67 1.408 8.059 -4.425 527 H GLU 68 H GLU 68 0.659 8.359 -6.489 528 HA GLU 68 HA GLU 68 0.559 6.963 -9.010 529 HB2 GLU 68 HB1 GLU 68 0.554 8.761 -10.526 530 HB3 GLU 68 HB2 GLU 68 -0.911 8.859 -9.546 531 HG2 GLU 68 HG1 GLU 68 0.287 10.689 -8.201 532 HG3 GLU 68 HG2 GLU 68 1.564 10.616 -9.442 533 H VAL 69 H VAL 69 2.399 7.497 -10.407 534 HA VAL 69 HA VAL 69 4.815 8.310 -8.928 535 HB VAL 69 HB VAL 69 4.614 5.601 -10.367 536 HG11 VAL 69 HG11 VAL 69 6.787 5.100 -9.308 537 HG12 VAL 69 HG12 VAL 69 6.918 6.545 -10.300 538 HG13 VAL 69 HG13 VAL 69 6.804 6.702 -8.538 539 HG21 VAL 69 HG21 VAL 69 4.836 4.516 -8.151 540 HG22 VAL 69 HG22 VAL 69 4.559 6.096 -7.378 541 HG23 VAL 69 HG23 VAL 69 3.289 5.340 -8.373 542 HA PRO 70 HA PRO 70 5.510 9.737 -13.147 543 HB2 PRO 70 HB1 PRO 70 7.964 10.895 -12.919 544 HB3 PRO 70 HB2 PRO 70 6.484 11.606 -12.206 545 HG2 PRO 70 HG1 PRO 70 8.563 9.864 -10.839 546 HG3 PRO 70 HG2 PRO 70 7.888 11.431 -10.265 547 HD2 PRO 70 HD1 PRO 70 6.930 9.013 -9.399 548 HD3 PRO 70 HD2 PRO 70 5.852 10.416 -9.641 549 HA PRO 71 HA PRO 71 7.865 6.538 -15.131 550 HB2 PRO 71 HB1 PRO 71 8.983 7.785 -17.301 551 HB3 PRO 71 HB2 PRO 71 7.259 7.319 -17.148 552 HG2 PRO 71 HG1 PRO 71 8.509 10.025 -16.686 553 HG3 PRO 71 HG2 PRO 71 6.965 9.627 -17.534 554 HD2 PRO 71 HD1 PRO 71 7.025 10.507 -14.958 555 HD3 PRO 71 HD2 PRO 71 5.825 9.325 -15.531 556 H LYS 72 H LYS 72 9.677 5.531 -14.790 557 HA LYS 72 HA LYS 72 11.776 4.992 -14.238 558 HB2 LYS 72 HB1 LYS 72 12.746 7.808 -14.659 559 HB3 LYS 72 HB2 LYS 72 13.638 6.285 -14.835 560 HG2 LYS 72 HG1 LYS 72 11.517 7.433 -16.678 561 HG3 LYS 72 HG2 LYS 72 13.253 7.250 -16.970 562 HD2 LYS 72 HD1 LYS 72 12.985 4.793 -17.047 563 HD3 LYS 72 HD2 LYS 72 11.256 4.966 -16.635 564 HE2 LYS 72 HE1 LYS 72 11.114 6.489 -18.725 565 HE3 LYS 72 HE2 LYS 72 12.669 5.797 -19.192 566 HZ1 LYS 72 HZ1 LYS 72 11.539 3.574 -19.017 567 HZ2 LYS 72 HZ2 LYS 72 10.769 4.554 -20.116 568 HZ3 LYS 72 HZ3 LYS 72 10.164 4.328 -18.615 569 H GLY 73 H GLY 73 9.922 6.948 -12.477 570 HA2 GLY 73 HA3 GLY 73 11.783 7.399 -10.225 571 HA3 GLY 73 HA2 GLY 73 10.156 8.091 -10.415 572 H ARG 74 H ARG 74 10.392 7.262 -8.176 573 HA ARG 74 HA ARG 74 8.635 5.047 -7.831 574 HB2 ARG 74 HB1 ARG 74 9.810 3.441 -6.743 575 HB3 ARG 74 HB2 ARG 74 10.779 3.828 -8.158 576 HG2 ARG 74 HG1 ARG 74 12.473 4.885 -6.752 577 HG3 ARG 74 HG2 ARG 74 11.430 4.702 -5.312 578 HD2 ARG 74 HD1 ARG 74 11.311 2.270 -5.673 579 HD3 ARG 74 HD2 ARG 74 12.337 2.397 -7.105 580 HE ARG 74 HE ARG 74 13.676 3.425 -4.767 581 HH11 ARG 74 HH12 ARG 74 12.805 0.396 -6.524 582 HH12 ARG 74 HH11 ARG 74 13.845 -0.527 -5.448 583 HH21 ARG 74 HH22 ARG 74 15.148 1.958 -3.598 584 HH22 ARG 74 HH21 ARG 74 15.058 0.247 -4.026 585 H VAL 75 H VAL 75 7.935 4.589 -5.707 586 HA VAL 75 HA VAL 75 8.434 6.660 -3.620 587 HB VAL 75 HB VAL 75 6.054 6.838 -3.124 588 HG11 VAL 75 HG11 VAL 75 5.345 8.224 -4.987 589 HG12 VAL 75 HG12 VAL 75 7.075 8.466 -4.697 590 HG13 VAL 75 HG13 VAL 75 6.530 7.471 -6.067 591 HG21 VAL 75 HG21 VAL 75 5.586 5.095 -5.580 592 HG22 VAL 75 HG22 VAL 75 5.207 4.668 -3.900 593 HG23 VAL 75 HG23 VAL 75 4.321 5.973 -4.695 594 H GLU 76 H GLU 76 7.274 5.952 -1.512 595 HA GLU 76 HA GLU 76 7.300 3.001 -1.122 596 HB2 GLU 76 HB1 GLU 76 9.237 4.099 -0.066 597 HB3 GLU 76 HB2 GLU 76 8.140 5.224 0.749 598 HG2 GLU 76 HG1 GLU 76 7.126 2.782 1.527 599 HG3 GLU 76 HG2 GLU 76 8.842 2.380 1.343 600 H LEU 77 H LEU 77 5.373 2.259 -0.418 601 HA LEU 77 HA LEU 77 3.357 4.089 0.692 602 HB2 LEU 77 HB1 LEU 77 3.337 1.202 -0.140 603 HB3 LEU 77 HB2 LEU 77 2.143 1.819 1.044 604 HG LEU 77 HG LEU 77 1.761 3.724 -0.737 605 HD11 LEU 77 HD11 LEU 77 1.997 2.963 -3.072 606 HD12 LEU 77 HD12 LEU 77 2.850 1.508 -2.524 607 HD13 LEU 77 HD13 LEU 77 3.576 3.112 -2.297 608 HD21 LEU 77 HD21 LEU 77 -0.002 2.279 -0.099 609 HD22 LEU 77 HD22 LEU 77 0.701 0.896 -0.986 610 HD23 LEU 77 HD23 LEU 77 0.035 2.292 -1.862 611 H LYS 78 H LYS 78 4.604 4.882 2.232 612 HA LYS 78 HA LYS 78 5.679 3.419 4.426 613 HB2 LYS 78 HB1 LYS 78 5.270 6.189 5.114 614 HB3 LYS 78 HB2 LYS 78 6.781 5.324 4.792 615 HG2 LYS 78 HG1 LYS 78 6.532 5.814 2.393 616 HG3 LYS 78 HG2 LYS 78 4.999 6.654 2.701 617 HD2 LYS 78 HD1 LYS 78 7.007 8.086 2.239 618 HD3 LYS 78 HD2 LYS 78 6.076 8.512 3.666 619 HE2 LYS 78 HE1 LYS 78 8.274 6.608 4.215 620 HE3 LYS 78 HE2 LYS 78 8.845 8.123 3.492 621 HZ1 LYS 78 HZ1 LYS 78 7.871 9.322 5.267 622 HZ2 LYS 78 HZ2 LYS 78 8.653 8.064 5.988 623 HZ3 LYS 78 HZ3 LYS 78 7.003 8.061 5.805 624 HA PRO 79 HA PRO 79 2.155 3.357 7.302 625 HB2 PRO 79 HB1 PRO 79 3.568 3.469 9.690 626 HB3 PRO 79 HB2 PRO 79 3.259 1.980 8.759 627 HG2 PRO 79 HG1 PRO 79 5.729 3.712 8.758 628 HG3 PRO 79 HG2 PRO 79 5.625 1.916 8.795 629 HD2 PRO 79 HD1 PRO 79 6.143 3.271 6.490 630 HD3 PRO 79 HD2 PRO 79 5.083 1.827 6.490 631 H GLY 80 H GLY 80 4.897 5.662 7.799 632 HA2 GLY 80 HA3 GLY 80 2.910 7.822 8.326 633 HA3 GLY 80 HA2 GLY 80 4.666 7.942 8.577 634 H GLY 81 H GLY 81 2.128 7.616 6.085 635 HA2 GLY 81 HA3 GLY 81 2.951 9.620 4.401 636 HA3 GLY 81 HA2 GLY 81 3.825 8.190 3.807 637 H TYR 82 H TYR 82 2.377 6.219 3.455 638 HA TYR 82 HA TYR 82 -0.360 6.596 2.540 639 HB2 TYR 82 HB1 TYR 82 1.811 6.130 0.476 640 HB3 TYR 82 HB2 TYR 82 0.061 6.064 0.203 641 HD1 TYR 82 HD2 TYR 82 -1.296 8.182 0.326 642 HD2 TYR 82 HD1 TYR 82 3.012 8.163 0.354 643 HE1 TYR 82 HE2 TYR 82 -1.290 10.656 -0.051 644 HE2 TYR 82 HE1 TYR 82 3.034 10.611 -0.082 645 HH TYR 82 HH TYR 82 1.796 12.495 -0.291 646 H HIS 83 H HIS 83 -1.371 4.478 2.452 647 HA HIS 83 HA HIS 83 0.282 2.091 2.119 648 HB2 HIS 83 HB1 HIS 83 -0.215 1.224 4.444 649 HB3 HIS 83 HB2 HIS 83 1.093 2.410 4.288 650 HD1 HIS 83 HD1 HIS 83 0.751 4.751 5.454 651 HD2 HIS 83 HD2 HIS 83 -2.469 2.035 5.849 652 HE1 HIS 83 HE1 HIS 83 -0.884 5.762 7.140 653 H PHE 84 H PHE 84 -0.921 0.101 2.315 654 HA PHE 84 HA PHE 84 -3.814 0.490 1.727 655 HB2 PHE 84 HB1 PHE 84 -1.909 -1.855 1.542 656 HB3 PHE 84 HB2 PHE 84 -3.663 -2.026 1.374 657 HD1 PHE 84 HD2 PHE 84 -4.759 -0.266 -0.356 658 HD2 PHE 84 HD1 PHE 84 -0.633 -1.520 -0.375 659 HE1 PHE 84 HE2 PHE 84 -4.652 0.109 -2.804 660 HE2 PHE 84 HE1 PHE 84 -0.495 -0.991 -2.792 661 HZ PHE 84 HZ PHE 84 -2.522 -0.248 -4.015 662 H MET 85 H MET 85 -5.220 0.352 3.249 663 HA MET 85 HA MET 85 -4.656 -1.035 5.819 664 HB2 MET 85 HB1 MET 85 -5.966 1.353 5.170 665 HB3 MET 85 HB2 MET 85 -7.290 0.219 5.505 666 HG2 MET 85 HG1 MET 85 -6.868 1.138 7.565 667 HG3 MET 85 HG2 MET 85 -5.993 -0.366 7.673 668 HE1 MET 85 HE1 MET 85 -3.077 -0.184 6.839 669 HE2 MET 85 HE2 MET 85 -2.377 0.652 8.232 670 HE3 MET 85 HE3 MET 85 -3.642 -0.577 8.487 671 H LEU 86 H LEU 86 -5.321 -3.021 6.112 672 HA LEU 86 HA LEU 86 -7.098 -4.360 4.104 673 HB2 LEU 86 HB1 LEU 86 -5.159 -5.555 6.129 674 HB3 LEU 86 HB2 LEU 86 -6.006 -6.429 4.843 675 HG LEU 86 HG LEU 86 -3.780 -4.364 4.489 676 HD11 LEU 86 HD11 LEU 86 -2.459 -6.302 3.712 677 HD12 LEU 86 HD12 LEU 86 -3.816 -7.386 4.083 678 HD13 LEU 86 HD13 LEU 86 -2.985 -6.507 5.387 679 HD21 LEU 86 HD21 LEU 86 -5.262 -6.023 2.395 680 HD22 LEU 86 HD22 LEU 86 -3.819 -5.025 2.094 681 HD23 LEU 86 HD23 LEU 86 -5.335 -4.257 2.585 682 H LEU 87 H LEU 87 -8.989 -5.304 4.795 683 HA LEU 87 HA LEU 87 -9.666 -5.323 7.704 684 HB2 LEU 87 HB1 LEU 87 -10.604 -3.498 5.585 685 HB3 LEU 87 HB2 LEU 87 -11.950 -4.311 6.399 686 HG LEU 87 HG LEU 87 -9.738 -2.939 7.965 687 HD11 LEU 87 HD11 LEU 87 -12.319 -1.668 6.951 688 HD12 LEU 87 HD12 LEU 87 -10.666 -1.247 6.441 689 HD13 LEU 87 HD13 LEU 87 -11.177 -0.947 8.111 690 HD21 LEU 87 HD21 LEU 87 -11.477 -2.828 9.711 691 HD22 LEU 87 HD22 LEU 87 -11.294 -4.505 9.170 692 HD23 LEU 87 HD23 LEU 87 -12.668 -3.540 8.604 693 H GLY 88 H GLY 88 -10.655 -7.082 8.320 694 HA2 GLY 88 HA3 GLY 88 -11.809 -9.071 8.348 695 HA3 GLY 88 HA2 GLY 88 -12.519 -8.666 6.769 696 H LEU 89 H LEU 89 -10.204 -10.664 8.403 697 HA LEU 89 HA LEU 89 -8.525 -10.926 5.972 698 HB2 LEU 89 HB1 LEU 89 -7.980 -11.746 8.822 699 HB3 LEU 89 HB2 LEU 89 -6.845 -11.858 7.455 700 HG LEU 89 HG LEU 89 -7.985 -9.312 8.696 701 HD11 LEU 89 HD11 LEU 89 -6.201 -10.473 9.975 702 HD12 LEU 89 HD12 LEU 89 -5.680 -8.894 9.365 703 HD13 LEU 89 HD13 LEU 89 -5.137 -10.382 8.559 704 HD21 LEU 89 HD21 LEU 89 -7.735 -8.868 6.297 705 HD22 LEU 89 HD22 LEU 89 -6.109 -9.591 6.303 706 HD23 LEU 89 HD23 LEU 89 -6.429 -8.078 7.179 707 H LYS 90 H LYS 90 -8.813 -12.428 4.610 708 HA LYS 90 HA LYS 90 -10.478 -14.737 4.978 709 HB2 LYS 90 HB1 LYS 90 -8.403 -14.139 2.831 710 HB3 LYS 90 HB2 LYS 90 -9.705 -15.341 2.716 711 HG2 LYS 90 HG1 LYS 90 -11.367 -13.454 2.889 712 HG3 LYS 90 HG2 LYS 90 -9.990 -12.318 2.842 713 HD2 LYS 90 HD1 LYS 90 -9.353 -13.056 0.649 714 HD3 LYS 90 HD2 LYS 90 -10.533 -14.363 0.647 715 HE2 LYS 90 HE1 LYS 90 -11.255 -11.410 0.792 716 HE3 LYS 90 HE2 LYS 90 -11.133 -12.308 -0.729 717 HZ1 LYS 90 HZ1 LYS 90 -13.426 -12.139 0.152 718 HZ2 LYS 90 HZ2 LYS 90 -13.037 -12.819 1.494 719 HZ3 LYS 90 HZ3 LYS 90 -12.969 -13.734 0.108 720 H ARG 91 H ARG 91 -7.076 -14.229 5.511 721 HA ARG 91 HA ARG 91 -6.752 -16.843 6.746 722 HB2 ARG 91 HB1 ARG 91 -5.070 -15.985 4.362 723 HB3 ARG 91 HB2 ARG 91 -4.531 -17.219 5.520 724 HG2 ARG 91 HG1 ARG 91 -6.944 -17.415 3.684 725 HG3 ARG 91 HG2 ARG 91 -5.369 -18.231 3.480 726 HD2 ARG 91 HD1 ARG 91 -5.739 -19.464 5.580 727 HD3 ARG 91 HD2 ARG 91 -7.308 -18.691 5.792 728 HE ARG 91 HE ARG 91 -6.560 -20.761 3.808 729 HH11 ARG 91 HH12 ARG 91 -9.142 -18.603 4.888 730 HH12 ARG 91 HH11 ARG 91 -10.399 -19.694 4.398 731 HH21 ARG 91 HH22 ARG 91 -8.233 -22.103 3.106 732 HH22 ARG 91 HH21 ARG 91 -9.886 -21.627 3.338 733 HA PRO 92 HA PRO 92 -4.240 -14.088 9.228 734 HB2 PRO 92 HB1 PRO 92 -3.034 -15.799 10.955 735 HB3 PRO 92 HB2 PRO 92 -4.799 -15.504 10.979 736 HG2 PRO 92 HG1 PRO 92 -3.309 -17.796 9.671 737 HG3 PRO 92 HG2 PRO 92 -4.770 -17.875 10.722 738 HD2 PRO 92 HD1 PRO 92 -4.888 -17.915 7.967 739 HD3 PRO 92 HD2 PRO 92 -6.163 -17.174 8.976 740 H LEU 93 H LEU 93 -2.384 -13.089 8.852 741 HA LEU 93 HA LEU 93 -0.221 -14.212 7.252 742 HB2 LEU 93 HB1 LEU 93 -0.504 -11.611 8.820 743 HB3 LEU 93 HB2 LEU 93 0.822 -12.013 7.695 744 HG LEU 93 HG LEU 93 -0.467 -10.518 6.539 745 HD11 LEU 93 HD11 LEU 93 -1.292 -11.690 4.632 746 HD12 LEU 93 HD12 LEU 93 -1.588 -13.172 5.563 747 HD13 LEU 93 HD13 LEU 93 0.072 -12.611 5.259 748 HD21 LEU 93 HD21 LEU 93 -2.463 -10.507 8.028 749 HD22 LEU 93 HD22 LEU 93 -3.063 -11.963 7.196 750 HD23 LEU 93 HD23 LEU 93 -2.857 -10.454 6.302 751 H LYS 94 H LYS 94 1.560 -15.313 8.029 752 HA LYS 94 HA LYS 94 2.439 -14.665 10.827 753 HB2 LYS 94 HB1 LYS 94 2.810 -17.274 9.355 754 HB3 LYS 94 HB2 LYS 94 3.412 -16.904 10.985 755 HG2 LYS 94 HG1 LYS 94 1.487 -17.447 11.961 756 HG3 LYS 94 HG2 LYS 94 0.481 -16.586 10.797 757 HD2 LYS 94 HD1 LYS 94 1.904 -19.166 10.041 758 HD3 LYS 94 HD2 LYS 94 0.327 -19.195 10.856 759 HE2 LYS 94 HE1 LYS 94 -0.786 -18.406 9.000 760 HE3 LYS 94 HE2 LYS 94 0.567 -17.297 8.574 761 HZ1 LYS 94 HZ1 LYS 94 0.446 -20.166 7.891 762 HZ2 LYS 94 HZ2 LYS 94 1.769 -19.171 7.755 763 HZ3 LYS 94 HZ3 LYS 94 0.514 -18.804 6.898 764 H ALA 95 H ALA 95 4.923 -15.976 10.555 765 HA ALA 95 HA ALA 95 6.217 -13.476 9.786 766 HB1 ALA 95 HB1 ALA 95 7.377 -16.002 11.030 767 HB2 ALA 95 HB2 ALA 95 8.180 -14.425 10.927 768 HB3 ALA 95 HB3 ALA 95 6.722 -14.605 11.919 769 H GLY 96 H GLY 96 7.029 -12.964 7.901 770 HA2 GLY 96 HA3 GLY 96 8.615 -13.074 6.222 771 HA3 GLY 96 HA2 GLY 96 8.758 -14.832 6.450 772 H GLU 97 H GLU 97 5.554 -14.586 6.248 773 HA GLU 97 HA GLU 97 5.739 -16.058 3.873 774 HB2 GLU 97 HB1 GLU 97 3.247 -15.148 5.346 775 HB3 GLU 97 HB2 GLU 97 3.338 -16.470 4.154 776 HG2 GLU 97 HG1 GLU 97 4.931 -17.673 5.587 777 HG3 GLU 97 HG2 GLU 97 4.871 -16.369 6.790 778 H GLU 98 H GLU 98 4.631 -16.038 2.006 779 HA GLU 98 HA GLU 98 5.042 -13.617 0.562 780 HB2 GLU 98 HB1 GLU 98 3.984 -16.310 -0.356 781 HB3 GLU 98 HB2 GLU 98 4.605 -15.001 -1.395 782 HG2 GLU 98 HG1 GLU 98 6.509 -16.198 -1.316 783 HG3 GLU 98 HG2 GLU 98 6.765 -15.346 0.204 784 H VAL 99 H VAL 99 3.469 -12.083 1.179 785 HA VAL 99 HA VAL 99 0.648 -12.556 0.410 786 HB VAL 99 HB VAL 99 2.099 -9.997 1.158 787 HG11 VAL 99 HG11 VAL 99 -0.793 -10.444 0.283 788 HG12 VAL 99 HG12 VAL 99 -0.261 -8.994 1.139 789 HG13 VAL 99 HG13 VAL 99 0.362 -9.328 -0.475 790 HG21 VAL 99 HG21 VAL 99 -0.107 -11.644 2.491 791 HG22 VAL 99 HG22 VAL 99 1.595 -11.619 2.988 792 HG23 VAL 99 HG23 VAL 99 0.612 -10.159 3.140 793 H GLU 100 H GLU 100 0.443 -13.122 -1.623 794 HA GLU 100 HA GLU 100 1.407 -11.494 -3.851 795 HB2 GLU 100 HB1 GLU 100 -0.892 -13.448 -3.609 796 HB3 GLU 100 HB2 GLU 100 -0.558 -12.479 -5.074 797 HG2 GLU 100 HG1 GLU 100 1.908 -13.604 -4.514 798 HG3 GLU 100 HG2 GLU 100 0.793 -14.904 -4.059 799 H LEU 101 H LEU 101 0.564 -9.748 -4.734 800 HA LEU 101 HA LEU 101 -2.042 -8.638 -3.899 801 HB2 LEU 101 HB1 LEU 101 0.587 -7.763 -2.941 802 HB3 LEU 101 HB2 LEU 101 -0.272 -6.452 -3.768 803 HG LEU 101 HG LEU 101 -1.565 -8.057 -1.594 804 HD11 LEU 101 HD11 LEU 101 -0.050 -5.449 -1.349 805 HD12 LEU 101 HD12 LEU 101 0.473 -7.033 -0.716 806 HD13 LEU 101 HD13 LEU 101 -0.996 -6.276 -0.068 807 HD21 LEU 101 HD21 LEU 101 -2.043 -5.198 -2.623 808 HD22 LEU 101 HD22 LEU 101 -3.044 -6.062 -1.444 809 HD23 LEU 101 HD23 LEU 101 -3.011 -6.590 -3.137 810 H ASP 102 H ASP 102 -3.044 -8.084 -5.643 811 HA ASP 102 HA ASP 102 -1.628 -7.389 -8.175 812 HB2 ASP 102 HB1 ASP 102 -4.147 -8.629 -7.432 813 HB3 ASP 102 HB2 ASP 102 -4.439 -7.241 -8.503 814 H LEU 103 H LEU 103 -0.902 -5.322 -7.973 815 HA LEU 103 HA LEU 103 -2.379 -3.162 -6.697 816 HB2 LEU 103 HB1 LEU 103 0.041 -3.380 -8.508 817 HB3 LEU 103 HB2 LEU 103 -0.571 -1.812 -7.956 818 HG LEU 103 HG LEU 103 1.402 -2.638 -6.777 819 HD11 LEU 103 HD11 LEU 103 0.611 -2.187 -4.458 820 HD12 LEU 103 HD12 LEU 103 -1.060 -2.225 -5.053 821 HD13 LEU 103 HD13 LEU 103 0.092 -0.996 -5.638 822 HD21 LEU 103 HD21 LEU 103 0.882 -5.061 -6.673 823 HD22 LEU 103 HD22 LEU 103 -0.355 -4.715 -5.434 824 HD23 LEU 103 HD23 LEU 103 1.350 -4.362 -5.111 825 H LEU 104 H LEU 104 -3.865 -1.819 -7.605 826 HA LEU 104 HA LEU 104 -4.670 -2.358 -10.439 827 HB2 LEU 104 HB1 LEU 104 -6.262 -0.803 -8.390 828 HB3 LEU 104 HB2 LEU 104 -6.821 -1.476 -9.931 829 HG LEU 104 HG LEU 104 -6.157 -2.923 -7.384 830 HD11 LEU 104 HD11 LEU 104 -8.325 -1.783 -7.406 831 HD12 LEU 104 HD12 LEU 104 -8.531 -3.542 -7.374 832 HD13 LEU 104 HD13 LEU 104 -8.778 -2.648 -8.891 833 HD21 LEU 104 HD21 LEU 104 -5.430 -4.382 -9.218 834 HD22 LEU 104 HD22 LEU 104 -6.984 -4.153 -10.052 835 HD23 LEU 104 HD23 LEU 104 -6.909 -5.030 -8.504 836 H PHE 105 H PHE 105 -4.457 -0.844 -11.968 837 HA PHE 105 HA PHE 105 -3.780 1.957 -11.134 838 HB2 PHE 105 HB1 PHE 105 -2.530 0.292 -13.317 839 HB3 PHE 105 HB2 PHE 105 -2.160 1.977 -13.028 840 HD1 PHE 105 HD1 PHE 105 -1.653 -1.509 -11.975 841 HD2 PHE 105 HD2 PHE 105 -0.701 2.604 -11.113 842 HE1 PHE 105 HE1 PHE 105 0.240 -2.239 -10.559 843 HE2 PHE 105 HE2 PHE 105 1.196 1.870 -9.700 844 HZ PHE 105 HZ PHE 105 1.667 -0.560 -9.412 845 H ALA 106 H ALA 106 -4.261 3.612 -12.599 846 HA ALA 106 HA ALA 106 -6.616 3.345 -14.233 847 HB1 ALA 106 HB1 ALA 106 -6.144 5.663 -14.877 848 HB2 ALA 106 HB2 ALA 106 -5.809 5.481 -13.139 849 HB3 ALA 106 HB3 ALA 106 -4.470 5.517 -14.309 850 H GLY 107 H GLY 107 -6.815 3.321 -16.557 851 HA2 GLY 107 HA3 GLY 107 -6.101 2.984 -18.759 852 HA3 GLY 107 HA2 GLY 107 -4.425 2.806 -18.191 853 H GLY 108 H GLY 108 -7.013 0.875 -16.765 854 HA2 GLY 108 HA3 GLY 108 -7.674 -1.317 -17.006 855 HA3 GLY 108 HA2 GLY 108 -6.861 -1.354 -18.587 856 H LYS 109 H LYS 109 -4.941 -0.466 -15.800 857 HA LYS 109 HA LYS 109 -3.346 -2.920 -16.228 858 HB2 LYS 109 HB1 LYS 109 -2.867 -0.133 -15.246 859 HB3 LYS 109 HB2 LYS 109 -1.764 -1.385 -14.692 860 HG2 LYS 109 HG1 LYS 109 -2.421 -1.017 -17.620 861 HG3 LYS 109 HG2 LYS 109 -1.189 -0.032 -16.787 862 HD2 LYS 109 HD1 LYS 109 0.001 -2.150 -16.181 863 HD3 LYS 109 HD2 LYS 109 -1.154 -3.057 -17.168 864 HE2 LYS 109 HE1 LYS 109 0.699 -0.820 -18.123 865 HE3 LYS 109 HE2 LYS 109 0.935 -2.551 -18.417 866 HZ1 LYS 109 HZ1 LYS 109 -1.314 -0.881 -19.404 867 HZ2 LYS 109 HZ2 LYS 109 -1.158 -2.488 -19.703 868 HZ3 LYS 109 HZ3 LYS 109 -0.062 -1.420 -20.319 869 H VAL 110 H VAL 110 -2.944 -4.348 -14.804 870 HA VAL 110 HA VAL 110 -3.317 -4.051 -11.958 871 HB VAL 110 HB VAL 110 -5.490 -4.641 -12.518 872 HG11 VAL 110 HG11 VAL 110 -5.308 -5.464 -14.766 873 HG12 VAL 110 HG12 VAL 110 -4.496 -6.950 -14.207 874 HG13 VAL 110 HG13 VAL 110 -6.191 -6.630 -13.778 875 HG21 VAL 110 HG21 VAL 110 -4.402 -5.904 -10.588 876 HG22 VAL 110 HG22 VAL 110 -5.870 -6.652 -11.255 877 HG23 VAL 110 HG23 VAL 110 -4.276 -7.294 -11.686 878 H LEU 111 H LEU 111 -1.730 -5.155 -10.913 879 HA LEU 111 HA LEU 111 -0.003 -7.054 -12.427 880 HB2 LEU 111 HB1 LEU 111 0.780 -4.328 -11.314 881 HB3 LEU 111 HB2 LEU 111 1.959 -5.549 -11.818 882 HG LEU 111 HG LEU 111 -0.062 -4.200 -13.665 883 HD11 LEU 111 HD11 LEU 111 1.571 -2.588 -12.798 884 HD12 LEU 111 HD12 LEU 111 1.865 -2.922 -14.511 885 HD13 LEU 111 HD13 LEU 111 2.907 -3.656 -13.272 886 HD21 LEU 111 HD21 LEU 111 0.670 -6.435 -14.493 887 HD22 LEU 111 HD22 LEU 111 2.364 -5.957 -14.279 888 HD23 LEU 111 HD23 LEU 111 1.345 -5.133 -15.479 889 H LYS 112 H LYS 112 0.493 -8.701 -11.148 890 HA LYS 112 HA LYS 112 0.292 -8.550 -8.306 891 HB2 LYS 112 HB1 LYS 112 1.399 -10.690 -10.123 892 HB3 LYS 112 HB2 LYS 112 1.327 -10.828 -8.338 893 HG2 LYS 112 HG1 LYS 112 -1.185 -10.248 -8.626 894 HG3 LYS 112 HG2 LYS 112 -0.964 -10.702 -10.320 895 HD2 LYS 112 HD1 LYS 112 -0.426 -12.439 -7.876 896 HD3 LYS 112 HD2 LYS 112 -1.805 -12.594 -8.977 897 HE2 LYS 112 HE1 LYS 112 -0.355 -13.331 -10.781 898 HE3 LYS 112 HE2 LYS 112 1.101 -12.883 -9.835 899 HZ1 LYS 112 HZ1 LYS 112 0.554 -14.542 -8.249 900 HZ2 LYS 112 HZ2 LYS 112 0.693 -15.275 -9.702 901 HZ3 LYS 112 HZ3 LYS 112 -0.787 -14.994 -8.977 902 H VAL 113 H VAL 113 1.648 -7.767 -6.906 903 HA VAL 113 HA VAL 113 4.591 -8.310 -7.203 904 HB VAL 113 HB VAL 113 4.998 -7.105 -5.172 905 HG11 VAL 113 HG11 VAL 113 4.991 -5.830 -7.284 906 HG12 VAL 113 HG12 VAL 113 3.292 -5.386 -7.018 907 HG13 VAL 113 HG13 VAL 113 4.546 -4.823 -5.896 908 HG21 VAL 113 HG21 VAL 113 3.223 -5.745 -4.043 909 HG22 VAL 113 HG22 VAL 113 2.008 -6.595 -5.012 910 HG23 VAL 113 HG23 VAL 113 2.999 -7.490 -3.856 911 H VAL 114 H VAL 114 5.584 -9.509 -5.471 912 HA VAL 114 HA VAL 114 3.772 -10.950 -3.636 913 HB VAL 114 HB VAL 114 4.212 -12.588 -5.346 914 HG11 VAL 114 HG11 VAL 114 7.195 -12.393 -4.769 915 HG12 VAL 114 HG12 VAL 114 6.380 -13.503 -5.879 916 HG13 VAL 114 HG13 VAL 114 6.394 -11.768 -6.231 917 HG21 VAL 114 HG21 VAL 114 5.028 -14.386 -3.915 918 HG22 VAL 114 HG22 VAL 114 5.779 -13.217 -2.810 919 HG23 VAL 114 HG23 VAL 114 4.009 -13.274 -2.978 920 H LEU 115 H LEU 115 4.310 -10.494 -1.658 921 HA LEU 115 HA LEU 115 7.069 -9.502 -1.049 922 HB2 LEU 115 HB1 LEU 115 4.407 -8.219 -0.352 923 HB3 LEU 115 HB2 LEU 115 5.989 -7.649 0.210 924 HG LEU 115 HG LEU 115 5.047 -7.706 -2.688 925 HD11 LEU 115 HD11 LEU 115 3.806 -6.083 -1.337 926 HD12 LEU 115 HD12 LEU 115 4.926 -5.246 -2.425 927 HD13 LEU 115 HD13 LEU 115 5.324 -5.415 -0.699 928 HD21 LEU 115 HD21 LEU 115 7.555 -6.439 -1.501 929 HD22 LEU 115 HD22 LEU 115 6.999 -6.290 -3.177 930 HD23 LEU 115 HD23 LEU 115 7.526 -7.857 -2.559 931 HA PRO 116 HA PRO 116 6.637 -12.016 2.583 932 HB2 PRO 116 HB1 PRO 116 8.603 -11.020 4.182 933 HB3 PRO 116 HB2 PRO 116 8.953 -11.933 2.684 934 HG2 PRO 116 HG1 PRO 116 8.790 -8.915 3.002 935 HG3 PRO 116 HG2 PRO 116 10.137 -9.866 2.282 936 HD2 PRO 116 HD1 PRO 116 8.235 -8.781 0.699 937 HD3 PRO 116 HD2 PRO 116 8.821 -10.443 0.383 938 H VAL 117 H VAL 117 5.460 -11.937 4.490 939 HA VAL 117 HA VAL 117 4.673 -9.441 5.751 940 HB VAL 117 HB VAL 117 4.593 -12.332 6.605 941 HG11 VAL 117 HG11 VAL 117 3.387 -9.885 7.954 942 HG12 VAL 117 HG12 VAL 117 2.926 -11.553 8.350 943 HG13 VAL 117 HG13 VAL 117 4.580 -11.024 8.644 944 HG21 VAL 117 HG21 VAL 117 2.257 -10.541 5.819 945 HG22 VAL 117 HG22 VAL 117 3.109 -11.579 4.664 946 HG23 VAL 117 HG23 VAL 117 2.280 -12.310 6.031 947 H GLU 118 H GLU 118 5.664 -8.317 7.225 948 HA GLU 118 HA GLU 118 7.620 -9.433 9.125 949 HB2 GLU 118 HB1 GLU 118 8.947 -8.157 7.633 950 HB3 GLU 118 HB2 GLU 118 7.848 -6.800 7.678 951 HG2 GLU 118 HG1 GLU 118 8.987 -7.469 10.319 952 HG3 GLU 118 HG2 GLU 118 10.209 -7.087 9.074 953 H ALA 119 H ALA 119 7.171 -6.580 10.556 954 HA ALA 119 HA ALA 119 4.470 -7.074 11.546 955 HB1 ALA 119 HB1 ALA 119 5.186 -8.038 13.707 956 HB2 ALA 119 HB2 ALA 119 5.775 -9.052 12.379 957 HB3 ALA 119 HB3 ALA 119 6.887 -7.937 13.209 958 H ARG 120 H ARG 120 6.581 -4.784 11.006 959 HA ARG 120 HA ARG 120 6.300 -3.309 13.550 960 HB2 ARG 120 HB1 ARG 120 7.889 -1.924 13.000 961 HB3 ARG 120 HB2 ARG 120 8.356 -3.173 11.869 962 HG2 ARG 120 HG1 ARG 120 6.641 -0.757 11.123 963 HG3 ARG 120 HG2 ARG 120 8.424 -0.772 11.035 964 HD2 ARG 120 HD1 ARG 120 8.462 -2.380 9.331 965 HD3 ARG 120 HD2 ARG 120 6.760 -2.853 9.649 966 HE ARG 120 HE ARG 120 6.057 -1.369 8.201 967 HH11 ARG 120 HH12 ARG 120 9.232 -0.115 8.912 968 HH12 ARG 120 HH11 ARG 120 9.280 0.807 7.424 969 HH21 ARG 120 HH22 ARG 120 6.263 -0.348 6.309 970 HH22 ARG 120 HH21 ARG 120 7.623 0.687 5.998 Start of MODEL 25 1 H1 GLY 1 1H GLY 1 17.904 -9.486 -6.409 2 H2 GLY 1 2H GLY 1 19.063 -8.301 -6.429 3 H3 GLY 1 3H GLY 1 17.487 -7.952 -6.053 4 HA2 GLY 1 HA3 GLY 1 19.299 -9.614 -4.421 5 HA3 GLY 1 HA2 GLY 1 18.749 -7.971 -4.023 6 H SER 2 H SER 2 16.831 -7.801 -2.829 7 HA SER 2 HA SER 2 14.525 -9.484 -3.393 8 HB2 SER 2 HB1 SER 2 13.485 -7.175 -2.793 9 HB3 SER 2 HB2 SER 2 14.309 -8.100 -1.503 10 HG SER 2 HG SER 2 14.845 -5.859 -1.574 11 H PHE 3 H PHE 3 12.807 -8.393 -4.784 12 HA PHE 3 HA PHE 3 13.691 -6.771 -7.044 13 HB2 PHE 3 HB1 PHE 3 12.601 -9.591 -7.408 14 HB3 PHE 3 HB2 PHE 3 12.782 -8.399 -8.703 15 HD1 PHE 3 HD1 PHE 3 15.080 -7.728 -9.474 16 HD2 PHE 3 HD2 PHE 3 14.461 -10.912 -6.635 17 HE1 PHE 3 HE1 PHE 3 17.339 -8.623 -9.982 18 HE2 PHE 3 HE2 PHE 3 16.718 -11.800 -7.134 19 HZ PHE 3 HZ PHE 3 18.158 -10.674 -8.833 20 H THR 4 H THR 4 12.158 -5.302 -7.079 21 HA THR 4 HA THR 4 10.378 -4.030 -6.304 22 HB THR 4 HB THR 4 8.990 -6.581 -5.358 23 HG1 THR 4 HG1 THR 4 8.534 -4.935 -7.613 24 HG21 THR 4 HG21 THR 4 6.962 -5.049 -5.485 25 HG22 THR 4 HG22 THR 4 8.082 -3.676 -5.564 26 HG23 THR 4 HG23 THR 4 8.028 -4.759 -4.143 27 H GLU 5 H GLU 5 9.611 -3.550 -3.877 28 HA GLU 5 HA GLU 5 11.053 -5.092 -1.904 29 HB2 GLU 5 HB1 GLU 5 12.666 -3.260 -2.587 30 HB3 GLU 5 HB2 GLU 5 11.498 -2.066 -2.004 31 HG2 GLU 5 HG1 GLU 5 13.313 -2.551 -0.369 32 HG3 GLU 5 HG2 GLU 5 11.706 -2.927 0.280 33 H GLY 6 H GLY 6 9.981 -5.045 0.121 34 HA2 GLY 6 HA3 GLY 6 8.252 -3.296 1.253 35 HA3 GLY 6 HA2 GLY 6 7.226 -4.020 -0.006 36 H TRP 7 H TRP 7 6.118 -4.389 2.248 37 HA TRP 7 HA TRP 7 6.288 -7.203 2.760 38 HB2 TRP 7 HB1 TRP 7 6.715 -7.159 5.134 39 HB3 TRP 7 HB2 TRP 7 8.112 -6.616 4.213 40 HD1 TRP 7 HD TRP 7 5.832 -5.683 7.009 41 HE1 TRP 7 HE1 TRP 7 7.007 -3.851 8.271 42 HE3 TRP 7 3HE TRP 7 9.243 -4.150 3.490 43 HZ2 TRP 7 HZ2 TRP 7 8.575 -1.476 7.634 44 HZ3 TRP 7 HZ3 TRP 7 10.528 -2.068 3.833 45 HH2 TRP 7 HH TRP 7 10.205 -0.711 5.887 46 H VAL 8 H VAL 8 4.632 -8.042 3.997 47 HA VAL 8 HA VAL 8 2.281 -6.250 4.469 48 HB VAL 8 HB VAL 8 2.389 -9.284 4.273 49 HG11 VAL 8 HG11 VAL 8 -0.127 -9.074 4.518 50 HG12 VAL 8 HG12 VAL 8 0.754 -8.673 6.003 51 HG13 VAL 8 HG13 VAL 8 0.102 -7.381 4.978 52 HG21 VAL 8 HG21 VAL 8 1.162 -7.045 2.575 53 HG22 VAL 8 HG22 VAL 8 2.436 -8.181 2.090 54 HG23 VAL 8 HG23 VAL 8 0.787 -8.752 2.362 55 H ARG 9 H ARG 9 1.668 -5.836 6.404 56 HA ARG 9 HA ARG 9 3.327 -6.597 8.747 57 HB2 ARG 9 HB1 ARG 9 3.152 -4.270 8.160 58 HB3 ARG 9 HB2 ARG 9 1.402 -4.328 8.078 59 HG2 ARG 9 HG1 ARG 9 2.636 -5.050 10.688 60 HG3 ARG 9 HG2 ARG 9 2.811 -3.358 10.119 61 HD2 ARG 9 HD1 ARG 9 0.291 -3.285 9.887 62 HD3 ARG 9 HD2 ARG 9 0.246 -4.830 10.766 63 HE ARG 9 HE ARG 9 1.907 -2.929 12.135 64 HH11 ARG 9 HH12 ARG 9 -1.557 -3.277 11.623 65 HH12 ARG 9 HH11 ARG 9 -1.907 -2.672 13.218 66 HH21 ARG 9 HH22 ARG 9 1.464 -2.492 14.116 67 HH22 ARG 9 HH21 ARG 9 -0.168 -2.119 14.644 68 H PHE 10 H PHE 10 2.483 -8.549 9.464 69 HA PHE 10 HA PHE 10 -0.284 -9.226 9.656 70 HB2 PHE 10 HB1 PHE 10 1.308 -10.951 9.844 71 HB3 PHE 10 HB2 PHE 10 2.228 -10.091 11.091 72 HD1 PHE 10 HD1 PHE 10 -1.431 -11.091 10.816 73 HD2 PHE 10 HD2 PHE 10 2.242 -11.275 13.067 74 HE1 PHE 10 HE1 PHE 10 -2.625 -12.169 12.686 75 HE2 PHE 10 HE2 PHE 10 1.061 -12.453 14.883 76 HZ PHE 10 HZ PHE 10 -1.381 -12.912 14.708 77 H SER 11 H SER 11 -1.809 -9.047 11.341 78 HA SER 11 HA SER 11 -0.996 -8.200 13.945 79 HB2 SER 11 HB1 SER 11 -2.829 -6.545 12.165 80 HB3 SER 11 HB2 SER 11 -3.033 -6.549 13.924 81 HG SER 11 HG SER 11 -0.474 -6.151 12.810 82 HA PRO 12 HA PRO 12 -4.111 -11.285 14.581 83 HB2 PRO 12 HB1 PRO 12 -4.332 -11.328 17.272 84 HB3 PRO 12 HB2 PRO 12 -2.787 -11.732 16.460 85 HG2 PRO 12 HG1 PRO 12 -3.613 -9.051 17.625 86 HG3 PRO 12 HG2 PRO 12 -2.100 -9.971 17.946 87 HD2 PRO 12 HD1 PRO 12 -2.226 -7.980 16.069 88 HD3 PRO 12 HD2 PRO 12 -1.232 -9.446 15.824 89 H GLY 13 H GLY 13 -5.539 -9.719 13.346 90 HA2 GLY 13 HA3 GLY 13 -8.004 -9.275 14.862 91 HA3 GLY 13 HA2 GLY 13 -7.225 -7.800 14.248 92 HA PRO 14 HA PRO 14 -9.914 -9.472 10.818 93 HB2 PRO 14 HB1 PRO 14 -11.804 -7.545 10.681 94 HB3 PRO 14 HB2 PRO 14 -11.866 -8.805 11.952 95 HG2 PRO 14 HG1 PRO 14 -10.712 -6.004 12.178 96 HG3 PRO 14 HG2 PRO 14 -11.904 -6.791 13.270 97 HD2 PRO 14 HD1 PRO 14 -9.213 -6.764 13.801 98 HD3 PRO 14 HD2 PRO 14 -10.250 -8.151 14.240 99 H ASN 15 H ASN 15 -7.818 -6.906 11.417 100 HA ASN 15 HA ASN 15 -7.599 -6.176 8.598 101 HB2 ASN 15 HB1 ASN 15 -7.578 -3.775 9.107 102 HB3 ASN 15 HB2 ASN 15 -9.136 -4.512 9.511 103 HD21 ASN 15 HD21 ASN 15 -9.968 -3.894 11.475 104 HD22 ASN 15 HD22 ASN 15 -8.976 -3.326 12.816 105 H ALA 16 H ALA 16 -5.667 -4.714 8.260 106 HA ALA 16 HA ALA 16 -3.306 -4.998 9.893 107 HB1 ALA 16 HB1 ALA 16 -3.386 -7.324 9.420 108 HB2 ALA 16 HB2 ALA 16 -3.842 -7.057 7.718 109 HB3 ALA 16 HB3 ALA 16 -2.212 -6.692 8.271 110 H ALA 17 H ALA 17 -1.272 -4.825 8.035 111 HA ALA 17 HA ALA 17 -2.129 -2.689 6.136 112 HB1 ALA 17 HB1 ALA 17 -0.354 -1.218 6.738 113 HB2 ALA 17 HB2 ALA 17 -1.187 -1.628 8.245 114 HB3 ALA 17 HB3 ALA 17 0.368 -2.385 7.843 115 H ALA 18 H ALA 18 -0.774 -2.348 4.361 116 HA ALA 18 HA ALA 18 1.517 -4.212 3.986 117 HB1 ALA 18 HB1 ALA 18 -0.565 -3.537 1.859 118 HB2 ALA 18 HB2 ALA 18 0.933 -4.452 1.603 119 HB3 ALA 18 HB3 ALA 18 -0.342 -5.112 2.643 120 H TYR 19 H TYR 19 3.277 -3.352 3.041 121 HA TYR 19 HA TYR 19 3.230 -0.516 2.103 122 HB2 TYR 19 HB1 TYR 19 5.581 -1.657 3.584 123 HB3 TYR 19 HB2 TYR 19 5.143 0.031 3.334 124 HD1 TYR 19 HD2 TYR 19 2.743 0.653 4.543 125 HD2 TYR 19 HD1 TYR 19 5.409 -2.519 5.677 126 HE1 TYR 19 HE2 TYR 19 1.758 0.642 6.843 127 HE2 TYR 19 HE1 TYR 19 4.526 -2.486 7.979 128 HH TYR 19 HH TYR 19 3.014 -1.414 9.473 129 H LEU 20 H LEU 20 4.827 -0.080 0.471 130 HA LEU 20 HA LEU 20 6.834 -1.857 -0.340 131 HB2 LEU 20 HB1 LEU 20 6.066 -2.663 -2.482 132 HB3 LEU 20 HB2 LEU 20 5.164 -3.399 -1.173 133 HG LEU 20 HG LEU 20 4.108 -1.148 -2.943 134 HD11 LEU 20 HD11 LEU 20 2.871 -3.016 -4.070 135 HD12 LEU 20 HD12 LEU 20 3.779 -4.176 -3.102 136 HD13 LEU 20 HD13 LEU 20 4.622 -3.129 -4.270 137 HD21 LEU 20 HD21 LEU 20 2.772 -1.220 -0.921 138 HD22 LEU 20 HD22 LEU 20 2.750 -3.001 -0.925 139 HD23 LEU 20 HD23 LEU 20 1.866 -2.087 -2.157 140 H THR 21 H THR 21 7.990 -1.344 -2.129 141 HA THR 21 HA THR 21 7.916 1.422 -3.170 142 HB THR 21 HB THR 21 9.773 -0.948 -3.459 143 HG1 THR 21 HG1 THR 21 10.908 1.315 -2.655 144 HG21 THR 21 HG21 THR 21 11.250 0.470 -4.762 145 HG22 THR 21 HG22 THR 21 10.029 1.759 -4.851 146 HG23 THR 21 HG23 THR 21 9.773 0.196 -5.654 147 H LEU 22 H LEU 22 6.954 1.947 -4.983 148 HA LEU 22 HA LEU 22 6.301 -0.089 -7.057 149 HB2 LEU 22 HB1 LEU 22 4.457 1.074 -5.827 150 HB3 LEU 22 HB2 LEU 22 5.040 2.610 -6.459 151 HG LEU 22 HG LEU 22 4.074 0.269 -8.182 152 HD11 LEU 22 HD11 LEU 22 1.983 1.567 -8.247 153 HD12 LEU 22 HD12 LEU 22 2.716 2.766 -7.145 154 HD13 LEU 22 HD13 LEU 22 2.419 1.099 -6.591 155 HD21 LEU 22 HD21 LEU 22 3.544 2.309 -9.772 156 HD22 LEU 22 HD22 LEU 22 5.158 1.648 -9.763 157 HD23 LEU 22 HD23 LEU 22 4.814 3.143 -8.852 158 H GLU 23 H GLU 23 6.941 0.442 -9.163 159 HA GLU 23 HA GLU 23 7.957 3.057 -9.714 160 HB2 GLU 23 HB1 GLU 23 10.116 2.481 -10.606 161 HB3 GLU 23 HB2 GLU 23 9.998 2.172 -8.861 162 HG2 GLU 23 HG1 GLU 23 9.739 -0.266 -9.368 163 HG3 GLU 23 HG2 GLU 23 10.005 0.107 -11.088 164 H ASN 24 H ASN 24 7.829 3.682 -11.686 165 HA ASN 24 HA ASN 24 6.397 1.957 -13.638 166 HB2 ASN 24 HB1 ASN 24 5.373 4.051 -12.917 167 HB3 ASN 24 HB2 ASN 24 6.805 4.961 -13.426 168 HD21 ASN 24 HD21 ASN 24 5.213 6.127 -14.706 169 HD22 ASN 24 HD22 ASN 24 4.741 5.494 -16.283 170 HA PRO 25 HA PRO 25 10.486 2.200 -15.728 171 HB2 PRO 25 HB1 PRO 25 10.326 -0.059 -17.240 172 HB3 PRO 25 HB2 PRO 25 10.638 -0.125 -15.478 173 HG2 PRO 25 HG1 PRO 25 7.968 -0.425 -16.896 174 HG3 PRO 25 HG2 PRO 25 8.689 -1.526 -15.670 175 HD2 PRO 25 HD1 PRO 25 6.881 0.412 -15.001 176 HD3 PRO 25 HD2 PRO 25 8.249 0.003 -13.927 177 H GLY 26 H GLY 26 7.256 2.541 -16.900 178 HA2 GLY 26 HA3 GLY 26 7.907 2.637 -19.735 179 HA3 GLY 26 HA2 GLY 26 6.345 2.983 -18.959 180 H ASP 27 H ASP 27 6.803 4.519 -20.907 181 HA ASP 27 HA ASP 27 8.107 7.051 -20.080 182 HB2 ASP 27 HB1 ASP 27 7.427 5.849 -22.775 183 HB3 ASP 27 HB2 ASP 27 8.145 7.461 -22.536 184 H LEU 28 H LEU 28 5.080 5.875 -19.933 185 HA LEU 28 HA LEU 28 3.906 8.588 -20.071 186 HB2 LEU 28 HB1 LEU 28 1.759 7.659 -20.633 187 HB3 LEU 28 HB2 LEU 28 2.993 7.219 -21.841 188 HG LEU 28 HG LEU 28 3.071 4.922 -20.672 189 HD11 LEU 28 HD11 LEU 28 0.539 6.066 -19.402 190 HD12 LEU 28 HD12 LEU 28 1.908 5.288 -18.583 191 HD13 LEU 28 HD13 LEU 28 0.834 4.319 -19.573 192 HD21 LEU 28 HD21 LEU 28 0.506 5.827 -22.054 193 HD22 LEU 28 HD22 LEU 28 1.093 4.151 -21.935 194 HD23 LEU 28 HD23 LEU 28 2.014 5.342 -22.862 195 HA PRO 29 HA PRO 29 3.432 8.073 -15.802 196 HB2 PRO 29 HB1 PRO 29 1.346 9.645 -15.059 197 HB3 PRO 29 HB2 PRO 29 2.809 10.306 -15.847 198 HG2 PRO 29 HG1 PRO 29 0.158 9.608 -17.122 199 HG3 PRO 29 HG2 PRO 29 1.144 11.094 -17.354 200 HD2 PRO 29 HD1 PRO 29 1.180 8.917 -19.069 201 HD3 PRO 29 HD2 PRO 29 2.583 9.983 -18.849 202 H LEU 30 H LEU 30 2.169 7.197 -13.942 203 HA LEU 30 HA LEU 30 -0.072 5.356 -14.685 204 HB2 LEU 30 HB1 LEU 30 1.843 5.100 -12.384 205 HB3 LEU 30 HB2 LEU 30 0.477 4.027 -12.753 206 HG LEU 30 HG LEU 30 2.946 4.471 -14.384 207 HD11 LEU 30 HD11 LEU 30 1.890 2.030 -12.942 208 HD12 LEU 30 HD12 LEU 30 3.169 3.098 -12.313 209 HD13 LEU 30 HD13 LEU 30 3.456 2.133 -13.783 210 HD21 LEU 30 HD21 LEU 30 2.248 2.589 -15.814 211 HD22 LEU 30 HD22 LEU 30 1.184 3.990 -15.992 212 HD23 LEU 30 HD23 LEU 30 0.654 2.590 -15.013 213 H ARG 31 H ARG 31 -1.651 5.141 -13.128 214 HA ARG 31 HA ARG 31 -1.827 7.062 -10.881 215 HB2 ARG 31 HB1 ARG 31 -3.098 8.010 -12.859 216 HB3 ARG 31 HB2 ARG 31 -4.223 6.650 -12.675 217 HG2 ARG 31 HG1 ARG 31 -5.023 7.437 -10.621 218 HG3 ARG 31 HG2 ARG 31 -3.581 8.408 -10.289 219 HD2 ARG 31 HD1 ARG 31 -5.591 9.091 -12.453 220 HD3 ARG 31 HD2 ARG 31 -5.632 9.731 -10.783 221 HE ARG 31 HE ARG 31 -3.563 10.920 -11.189 222 HH11 ARG 31 HH12 ARG 31 -5.090 9.818 -14.193 223 HH12 ARG 31 HH11 ARG 31 -4.168 10.979 -15.125 224 HH21 ARG 31 HH22 ARG 31 -2.411 12.217 -12.413 225 HH22 ARG 31 HH21 ARG 31 -2.660 12.342 -14.127 226 H LEU 32 H LEU 32 -2.154 5.931 -9.100 227 HA LEU 32 HA LEU 32 -2.838 3.034 -9.258 228 HB2 LEU 32 HB1 LEU 32 -0.615 3.611 -8.440 229 HB3 LEU 32 HB2 LEU 32 -1.308 4.759 -7.270 230 HG LEU 32 HG LEU 32 -2.468 2.713 -6.198 231 HD11 LEU 32 HD11 LEU 32 -1.520 0.529 -6.607 232 HD12 LEU 32 HD12 LEU 32 -0.325 1.190 -7.743 233 HD13 LEU 32 HD13 LEU 32 -2.036 1.161 -8.174 234 HD21 LEU 32 HD21 LEU 32 0.568 2.940 -6.178 235 HD22 LEU 32 HD22 LEU 32 -0.409 2.115 -4.947 236 HD23 LEU 32 HD23 LEU 32 -0.557 3.865 -5.180 237 H VAL 33 H VAL 33 -4.789 2.456 -8.564 238 HA VAL 33 HA VAL 33 -6.403 4.440 -7.000 239 HB VAL 33 HB VAL 33 -8.380 3.605 -8.204 240 HG11 VAL 33 HG11 VAL 33 -7.112 5.525 -9.135 241 HG12 VAL 33 HG12 VAL 33 -6.176 4.413 -10.154 242 HG13 VAL 33 HG13 VAL 33 -7.926 4.580 -10.387 243 HG21 VAL 33 HG21 VAL 33 -7.583 1.268 -8.713 244 HG22 VAL 33 HG22 VAL 33 -8.255 2.115 -10.112 245 HG23 VAL 33 HG23 VAL 33 -6.504 1.954 -9.948 246 H GLY 34 H GLY 34 -5.127 1.245 -6.727 247 HA2 GLY 34 HA3 GLY 34 -6.171 0.928 -4.141 248 HA3 GLY 34 HA2 GLY 34 -7.195 -0.011 -5.251 249 H ALA 35 H ALA 35 -6.427 -1.814 -3.954 250 HA ALA 35 HA ALA 35 -4.234 -3.093 -5.347 251 HB1 ALA 35 HB1 ALA 35 -2.932 -2.291 -3.514 252 HB2 ALA 35 HB2 ALA 35 -4.233 -2.576 -2.338 253 HB3 ALA 35 HB3 ALA 35 -3.356 -3.935 -3.031 254 H ARG 36 H ARG 36 -4.132 -5.651 -4.321 255 HA ARG 36 HA ARG 36 -6.678 -6.525 -3.238 256 HB2 ARG 36 HB1 ARG 36 -7.709 -6.374 -5.294 257 HB3 ARG 36 HB2 ARG 36 -6.205 -6.602 -6.211 258 HG2 ARG 36 HG1 ARG 36 -6.189 -8.982 -5.593 259 HG3 ARG 36 HG2 ARG 36 -7.707 -8.773 -4.712 260 HD2 ARG 36 HD1 ARG 36 -8.848 -9.130 -6.637 261 HD3 ARG 36 HD2 ARG 36 -8.048 -7.728 -7.388 262 HE ARG 36 HE ARG 36 -6.157 -9.260 -7.959 263 HH11 ARG 36 HH12 ARG 36 -9.208 -10.941 -7.305 264 HH12 ARG 36 HH11 ARG 36 -8.680 -12.347 -8.187 265 HH21 ARG 36 HH22 ARG 36 -5.531 -10.945 -8.880 266 HH22 ARG 36 HH21 ARG 36 -6.554 -12.363 -9.138 267 H THR 37 H THR 37 -6.321 -8.549 -2.253 268 HA THR 37 HA THR 37 -3.849 -10.026 -3.012 269 HB THR 37 HB THR 37 -3.056 -8.685 -1.260 270 HG1 THR 37 HG1 THR 37 -2.352 -10.596 -0.952 271 HG21 THR 37 HG21 THR 37 -5.074 -7.825 -0.188 272 HG22 THR 37 HG22 THR 37 -4.064 -8.632 1.020 273 HG23 THR 37 HG23 THR 37 -5.499 -9.457 0.375 274 HA PRO 38 HA PRO 38 -6.726 -13.470 -2.169 275 HB2 PRO 38 HB1 PRO 38 -5.013 -15.505 -1.512 276 HB3 PRO 38 HB2 PRO 38 -5.248 -14.883 -3.177 277 HG2 PRO 38 HG1 PRO 38 -3.053 -14.128 -1.249 278 HG3 PRO 38 HG2 PRO 38 -2.886 -14.681 -2.956 279 HD2 PRO 38 HD1 PRO 38 -2.910 -12.040 -2.346 280 HD3 PRO 38 HD2 PRO 38 -3.771 -12.645 -3.789 281 H VAL 39 H VAL 39 -4.358 -12.312 0.153 282 HA VAL 39 HA VAL 39 -5.565 -13.903 2.316 283 HB VAL 39 HB VAL 39 -3.847 -13.374 3.730 284 HG11 VAL 39 HG11 VAL 39 -2.489 -13.396 1.008 285 HG12 VAL 39 HG12 VAL 39 -1.886 -14.047 2.548 286 HG13 VAL 39 HG13 VAL 39 -3.265 -14.812 1.755 287 HG21 VAL 39 HG21 VAL 39 -3.046 -11.023 1.974 288 HG22 VAL 39 HG22 VAL 39 -3.695 -10.945 3.616 289 HG23 VAL 39 HG23 VAL 39 -2.106 -11.645 3.336 290 H ALA 40 H ALA 40 -6.815 -11.290 1.010 291 HA ALA 40 HA ALA 40 -8.205 -10.569 3.477 292 HB1 ALA 40 HB1 ALA 40 -6.322 -8.884 3.262 293 HB2 ALA 40 HB2 ALA 40 -7.057 -8.355 1.727 294 HB3 ALA 40 HB3 ALA 40 -7.945 -8.178 3.247 295 H GLU 41 H GLU 41 -10.030 -8.861 2.757 296 HA GLU 41 HA GLU 41 -11.277 -9.952 0.276 297 HB2 GLU 41 HB1 GLU 41 -12.419 -10.038 2.622 298 HB3 GLU 41 HB2 GLU 41 -12.700 -8.306 2.402 299 HG2 GLU 41 HG1 GLU 41 -14.655 -9.547 1.640 300 HG3 GLU 41 HG2 GLU 41 -13.866 -8.828 0.229 301 H ARG 42 H ARG 42 -10.908 -6.864 2.061 302 HA ARG 42 HA ARG 42 -10.659 -5.496 -0.581 303 HB2 ARG 42 HB1 ARG 42 -11.918 -3.685 0.075 304 HB3 ARG 42 HB2 ARG 42 -12.851 -5.076 0.649 305 HG2 ARG 42 HG1 ARG 42 -11.755 -4.662 2.941 306 HG3 ARG 42 HG2 ARG 42 -11.145 -3.134 2.263 307 HD2 ARG 42 HD1 ARG 42 -13.733 -2.901 1.548 308 HD3 ARG 42 HD2 ARG 42 -13.943 -3.972 2.942 309 HE ARG 42 HE ARG 42 -12.428 -1.368 3.156 310 HH11 ARG 42 HH12 ARG 42 -15.195 -3.262 4.306 311 HH12 ARG 42 HH11 ARG 42 -15.653 -1.993 5.414 312 HH21 ARG 42 HH22 ARG 42 -12.967 0.054 4.496 313 HH22 ARG 42 HH21 ARG 42 -14.332 -0.088 5.599 314 H VAL 43 H VAL 43 -9.438 -3.552 -0.557 315 HA VAL 43 HA VAL 43 -7.809 -2.918 1.705 316 HB VAL 43 HB VAL 43 -6.275 -4.547 1.026 317 HG11 VAL 43 HG11 VAL 43 -5.438 -4.842 -1.286 318 HG12 VAL 43 HG12 VAL 43 -7.169 -5.174 -1.155 319 HG13 VAL 43 HG13 VAL 43 -6.615 -3.618 -1.819 320 HG21 VAL 43 HG21 VAL 43 -4.294 -3.357 0.223 321 HG22 VAL 43 HG22 VAL 43 -5.287 -2.012 -0.360 322 HG23 VAL 43 HG23 VAL 43 -5.177 -2.340 1.376 323 H GLU 44 H GLU 44 -7.236 -0.868 1.747 324 HA GLU 44 HA GLU 44 -8.255 0.941 -0.428 325 HB2 GLU 44 HB1 GLU 44 -8.205 1.152 2.614 326 HB3 GLU 44 HB2 GLU 44 -8.676 2.480 1.533 327 HG2 GLU 44 HG1 GLU 44 -10.654 1.392 0.864 328 HG3 GLU 44 HG2 GLU 44 -10.108 -0.194 1.452 329 H LEU 45 H LEU 45 -6.691 2.456 -1.205 330 HA LEU 45 HA LEU 45 -4.162 2.625 0.206 331 HB2 LEU 45 HB1 LEU 45 -4.480 2.677 -2.319 332 HB3 LEU 45 HB2 LEU 45 -5.081 4.326 -2.142 333 HG LEU 45 HG LEU 45 -2.468 3.559 -0.778 334 HD11 LEU 45 HD11 LEU 45 -2.668 4.270 -3.715 335 HD12 LEU 45 HD12 LEU 45 -2.367 2.649 -3.082 336 HD13 LEU 45 HD13 LEU 45 -1.191 3.934 -2.740 337 HD21 LEU 45 HD21 LEU 45 -3.365 6.041 -2.291 338 HD22 LEU 45 HD22 LEU 45 -1.844 5.852 -1.370 339 HD23 LEU 45 HD23 LEU 45 -3.385 5.862 -0.513 340 H HIS 46 H HIS 46 -3.826 3.768 1.854 341 HA HIS 46 HA HIS 46 -5.373 6.236 2.354 342 HB2 HIS 46 HB1 HIS 46 -3.966 4.321 4.206 343 HB3 HIS 46 HB2 HIS 46 -4.462 5.931 4.726 344 HD2 HIS 46 HD2 HIS 46 -7.105 4.052 2.624 345 HE1 HIS 46 HE1 HIS 46 -8.274 3.660 6.670 346 HE2 HIS 46 HE2 HIS 46 -8.930 3.139 4.261 347 H GLU 47 H GLU 47 -4.383 7.996 3.015 348 HA GLU 47 HA GLU 47 -1.486 8.461 2.483 349 HB2 GLU 47 HB1 GLU 47 -2.046 10.845 2.961 350 HB3 GLU 47 HB2 GLU 47 -2.870 10.200 1.524 351 HG2 GLU 47 HG1 GLU 47 -4.936 9.959 2.729 352 HG3 GLU 47 HG2 GLU 47 -4.175 10.361 4.273 353 H THR 48 H THR 48 -0.292 9.555 4.223 354 HA THR 48 HA THR 48 -1.517 9.529 6.911 355 HB THR 48 HB THR 48 1.137 8.202 6.360 356 HG1 THR 48 HG1 THR 48 -1.379 7.464 6.343 357 HG21 THR 48 HG21 THR 48 -0.384 8.783 8.948 358 HG22 THR 48 HG22 THR 48 1.218 9.406 8.508 359 HG23 THR 48 HG23 THR 48 1.001 7.672 8.820 360 H PHE 49 H PHE 49 -1.654 11.607 6.936 361 HA PHE 49 HA PHE 49 0.264 13.303 5.511 362 HB2 PHE 49 HB1 PHE 49 -1.566 14.978 5.825 363 HB3 PHE 49 HB2 PHE 49 -2.058 13.490 4.993 364 HD1 PHE 49 HD2 PHE 49 -2.204 15.241 8.328 365 HD2 PHE 49 HD1 PHE 49 -3.869 12.162 5.826 366 HE1 PHE 49 HE2 PHE 49 -4.118 15.035 9.870 367 HE2 PHE 49 HE1 PHE 49 -5.794 11.968 7.378 368 HZ PHE 49 HZ PHE 49 -5.934 13.405 9.369 369 H MET 50 H MET 50 0.617 15.541 6.388 370 HA MET 50 HA MET 50 0.309 15.795 9.335 371 HB2 MET 50 HB1 MET 50 2.293 17.338 7.615 372 HB3 MET 50 HB2 MET 50 1.891 17.682 9.319 373 HG2 MET 50 HG1 MET 50 2.644 15.274 9.788 374 HG3 MET 50 HG2 MET 50 3.346 15.286 8.169 375 HE1 MET 50 HE1 MET 50 4.324 18.505 8.116 376 HE2 MET 50 HE2 MET 50 6.025 18.204 8.508 377 HE3 MET 50 HE3 MET 50 5.171 17.119 7.396 378 H ARG 51 H ARG 51 -1.266 17.207 9.803 379 HA ARG 51 HA ARG 51 -1.842 19.563 8.173 380 HB2 ARG 51 HB1 ARG 51 -3.953 17.422 8.704 381 HB3 ARG 51 HB2 ARG 51 -4.312 19.085 8.167 382 HG2 ARG 51 HG1 ARG 51 -2.986 18.677 6.109 383 HG3 ARG 51 HG2 ARG 51 -2.749 16.985 6.614 384 HD2 ARG 51 HD1 ARG 51 -5.152 16.573 6.515 385 HD3 ARG 51 HD2 ARG 51 -5.426 18.267 6.037 386 HE ARG 51 HE ARG 51 -4.169 17.816 3.983 387 HH11 ARG 51 HH12 ARG 51 -5.166 14.814 5.643 388 HH12 ARG 51 HH11 ARG 51 -4.822 13.894 4.179 389 HH21 ARG 51 HH22 ARG 51 -3.675 16.357 2.247 390 HH22 ARG 51 HH21 ARG 51 -3.949 14.644 2.550 391 H GLU 52 H GLU 52 -3.234 21.075 9.388 392 HA GLU 52 HA GLU 52 -2.747 20.891 12.257 393 HB2 GLU 52 HB1 GLU 52 -3.687 23.089 10.434 394 HB3 GLU 52 HB2 GLU 52 -3.690 23.243 12.219 395 HG2 GLU 52 HG1 GLU 52 -1.623 24.152 11.297 396 HG3 GLU 52 HG2 GLU 52 -1.298 22.738 12.303 397 H VAL 53 H VAL 53 -4.117 21.073 13.835 398 HA VAL 53 HA VAL 53 -7.001 20.422 13.303 399 HB VAL 53 HB VAL 53 -5.465 18.416 13.319 400 HG11 VAL 53 HG11 VAL 53 -5.564 18.870 16.312 401 HG12 VAL 53 HG12 VAL 53 -4.819 17.499 15.456 402 HG13 VAL 53 HG13 VAL 53 -4.149 19.139 15.273 403 HG21 VAL 53 HG21 VAL 53 -7.934 18.228 13.485 404 HG22 VAL 53 HG22 VAL 53 -7.062 16.949 14.347 405 HG23 VAL 53 HG23 VAL 53 -7.802 18.273 15.257 406 H GLU 54 H GLU 54 -4.996 22.193 15.276 407 HA GLU 54 HA GLU 54 -7.117 23.023 17.073 408 HB2 GLU 54 HB1 GLU 54 -6.090 20.805 17.949 409 HB3 GLU 54 HB2 GLU 54 -4.622 21.745 18.248 410 HG2 GLU 54 HG1 GLU 54 -6.613 23.328 19.374 411 HG3 GLU 54 HG2 GLU 54 -7.251 21.706 19.662 412 H GLY 55 H GLY 55 -5.690 24.396 15.075 413 HA2 GLY 55 HA3 GLY 55 -4.222 26.109 14.577 414 HA3 GLY 55 HA2 GLY 55 -3.980 26.379 16.318 415 H LYS 56 H LYS 56 -3.287 23.292 16.238 416 HA LYS 56 HA LYS 56 -0.382 23.589 15.710 417 HB2 LYS 56 HB1 LYS 56 -2.107 22.111 17.717 418 HB3 LYS 56 HB2 LYS 56 -0.431 21.599 17.413 419 HG2 LYS 56 HG1 LYS 56 0.473 23.614 18.209 420 HG3 LYS 56 HG2 LYS 56 -1.057 24.498 18.087 421 HD2 LYS 56 HD1 LYS 56 -0.775 22.143 19.978 422 HD3 LYS 56 HD2 LYS 56 -0.212 23.775 20.438 423 HE2 LYS 56 HE1 LYS 56 -2.406 24.708 20.146 424 HE3 LYS 56 HE2 LYS 56 -3.025 23.210 19.408 425 HZ1 LYS 56 HZ1 LYS 56 -2.973 22.131 21.429 426 HZ2 LYS 56 HZ2 LYS 56 -3.703 23.472 21.691 427 HZ3 LYS 56 HZ3 LYS 56 -2.132 23.347 22.238 428 H LYS 57 H LYS 57 0.765 21.905 14.844 429 HA LYS 57 HA LYS 57 -0.571 20.489 12.675 430 HB2 LYS 57 HB1 LYS 57 1.706 20.138 11.881 431 HB3 LYS 57 HB2 LYS 57 1.380 21.849 12.279 432 HG2 LYS 57 HG1 LYS 57 3.191 21.942 13.505 433 HG3 LYS 57 HG2 LYS 57 2.627 20.673 14.578 434 HD2 LYS 57 HD1 LYS 57 4.128 20.233 11.957 435 HD3 LYS 57 HD2 LYS 57 4.850 20.208 13.588 436 HE2 LYS 57 HE1 LYS 57 3.353 18.306 14.186 437 HE3 LYS 57 HE2 LYS 57 2.685 18.323 12.542 438 HZ1 LYS 57 HZ1 LYS 57 4.439 16.664 12.851 439 HZ2 LYS 57 HZ2 LYS 57 5.527 17.838 13.221 440 HZ3 LYS 57 HZ3 LYS 57 4.865 17.758 11.714 441 H VAL 58 H VAL 58 -1.054 18.325 12.529 442 HA VAL 58 HA VAL 58 0.305 16.402 14.388 443 HB VAL 58 HB VAL 58 -2.686 16.820 14.114 444 HG11 VAL 58 HG11 VAL 58 -2.339 14.438 14.350 445 HG12 VAL 58 HG12 VAL 58 -1.156 14.682 15.661 446 HG13 VAL 58 HG13 VAL 58 -2.877 15.054 15.905 447 HG21 VAL 58 HG21 VAL 58 -0.803 17.196 16.488 448 HG22 VAL 58 HG22 VAL 58 -1.725 18.464 15.647 449 HG23 VAL 58 HG23 VAL 58 -2.571 17.249 16.593 450 H MET 59 H MET 59 0.367 14.232 13.727 451 HA MET 59 HA MET 59 -0.055 13.684 10.888 452 HB2 MET 59 HB1 MET 59 1.196 12.178 13.182 453 HB3 MET 59 HB2 MET 59 0.845 11.378 11.622 454 HG2 MET 59 HG1 MET 59 2.154 12.943 10.408 455 HG3 MET 59 HG2 MET 59 2.353 13.989 11.822 456 HE1 MET 59 HE1 MET 59 4.495 13.451 10.021 457 HE2 MET 59 HE2 MET 59 4.647 14.334 11.552 458 HE3 MET 59 HE3 MET 59 5.876 13.104 11.106 459 H GLY 60 H GLY 60 -1.581 12.343 10.000 460 HA2 GLY 60 HA3 GLY 60 -3.127 10.497 11.638 461 HA3 GLY 60 HA2 GLY 60 -4.089 11.825 10.949 462 H MET 61 H MET 61 -4.722 9.249 10.296 463 HA MET 61 HA MET 61 -3.664 8.769 7.548 464 HB2 MET 61 HB1 MET 61 -5.135 6.869 9.399 465 HB3 MET 61 HB2 MET 61 -4.448 6.488 7.794 466 HG2 MET 61 HG1 MET 61 -2.825 5.672 9.195 467 HG3 MET 61 HG2 MET 61 -2.190 7.268 8.821 468 HE1 MET 61 HE1 MET 61 -0.884 6.664 12.414 469 HE2 MET 61 HE2 MET 61 -1.048 5.499 11.079 470 HE3 MET 61 HE3 MET 61 -0.479 7.153 10.758 471 H ARG 62 H ARG 62 -5.262 7.854 5.988 472 HA ARG 62 HA ARG 62 -8.088 8.328 6.161 473 HB2 ARG 62 HB1 ARG 62 -6.507 10.671 5.826 474 HB3 ARG 62 HB2 ARG 62 -7.162 10.302 4.219 475 HG2 ARG 62 HG1 ARG 62 -9.453 10.273 5.205 476 HG3 ARG 62 HG2 ARG 62 -8.767 10.725 6.779 477 HD2 ARG 62 HD1 ARG 62 -9.732 12.656 5.459 478 HD3 ARG 62 HD2 ARG 62 -8.025 12.857 5.931 479 HE ARG 62 HE ARG 62 -7.361 12.733 3.712 480 HH11 ARG 62 HH12 ARG 62 -10.759 11.695 3.676 481 HH12 ARG 62 HH11 ARG 62 -10.558 11.064 2.062 482 HH21 ARG 62 HH22 ARG 62 -7.232 12.013 1.819 483 HH22 ARG 62 HH21 ARG 62 -8.558 11.170 1.043 484 HA PRO 63 HA PRO 63 -7.320 6.199 2.152 485 HB2 PRO 63 HB1 PRO 63 -9.901 6.001 1.238 486 HB3 PRO 63 HB2 PRO 63 -9.113 4.810 2.288 487 HG2 PRO 63 HG1 PRO 63 -11.007 6.986 3.019 488 HG3 PRO 63 HG2 PRO 63 -10.853 5.362 3.748 489 HD2 PRO 63 HD1 PRO 63 -9.894 7.719 4.878 490 HD3 PRO 63 HD2 PRO 63 -9.175 6.120 5.200 491 H VAL 64 H VAL 64 -7.063 6.917 0.109 492 HA VAL 64 HA VAL 64 -8.171 9.616 -0.629 493 HB VAL 64 HB VAL 64 -6.201 9.659 -2.289 494 HG11 VAL 64 HG11 VAL 64 -4.716 10.715 -0.616 495 HG12 VAL 64 HG12 VAL 64 -6.408 11.213 -0.447 496 HG13 VAL 64 HG13 VAL 64 -5.721 10.025 0.679 497 HG21 VAL 64 HG21 VAL 64 -4.151 8.531 -1.692 498 HG22 VAL 64 HG22 VAL 64 -4.912 7.761 -0.290 499 HG23 VAL 64 HG23 VAL 64 -5.418 7.314 -1.940 500 HA PRO 65 HA PRO 65 -10.016 7.489 -4.076 501 HB2 PRO 65 HB1 PRO 65 -9.953 9.311 -6.112 502 HB3 PRO 65 HB2 PRO 65 -11.021 9.482 -4.686 503 HG2 PRO 65 HG1 PRO 65 -8.298 10.746 -5.123 504 HG3 PRO 65 HG2 PRO 65 -9.823 11.556 -4.612 505 HD2 PRO 65 HD1 PRO 65 -7.961 10.774 -2.789 506 HD3 PRO 65 HD2 PRO 65 -9.707 10.582 -2.450 507 H PHE 66 H PHE 66 -6.713 8.767 -4.344 508 HA PHE 66 HA PHE 66 -5.724 6.454 -5.593 509 HB2 PHE 66 HB1 PHE 66 -5.002 7.369 -7.760 510 HB3 PHE 66 HB2 PHE 66 -6.746 7.178 -7.643 511 HD1 PHE 66 HD2 PHE 66 -3.958 9.642 -7.761 512 HD2 PHE 66 HD1 PHE 66 -8.228 9.072 -7.820 513 HE1 PHE 66 HE2 PHE 66 -4.249 11.959 -8.572 514 HE2 PHE 66 HE1 PHE 66 -8.521 11.398 -8.629 515 HZ PHE 66 HZ PHE 66 -6.529 12.850 -9.008 516 H LEU 67 H LEU 67 -3.505 6.613 -6.202 517 HA LEU 67 HA LEU 67 -1.997 9.078 -5.530 518 HB2 LEU 67 HB1 LEU 67 -1.307 6.179 -5.068 519 HB3 LEU 67 HB2 LEU 67 -0.002 7.227 -5.662 520 HG LEU 67 HG LEU 67 -1.524 7.551 -3.058 521 HD11 LEU 67 HD11 LEU 67 0.712 7.004 -2.117 522 HD12 LEU 67 HD12 LEU 67 1.387 6.890 -3.755 523 HD13 LEU 67 HD13 LEU 67 0.181 5.710 -3.201 524 HD21 LEU 67 HD21 LEU 67 -0.986 9.803 -3.778 525 HD22 LEU 67 HD22 LEU 67 0.622 9.298 -4.355 526 HD23 LEU 67 HD23 LEU 67 0.257 9.325 -2.623 527 H GLU 68 H GLU 68 0.130 8.939 -7.071 528 HA GLU 68 HA GLU 68 -0.330 7.647 -9.609 529 HB2 GLU 68 HB1 GLU 68 -0.653 9.452 -11.025 530 HB3 GLU 68 HB2 GLU 68 -1.852 9.650 -9.739 531 HG2 GLU 68 HG1 GLU 68 -0.464 11.429 -8.724 532 HG3 GLU 68 HG2 GLU 68 0.759 11.193 -10.002 533 H VAL 69 H VAL 69 1.351 8.375 -11.252 534 HA VAL 69 HA VAL 69 3.943 8.811 -9.893 535 HB VAL 69 HB VAL 69 3.600 6.300 -11.573 536 HG11 VAL 69 HG11 VAL 69 5.509 5.497 -10.231 537 HG12 VAL 69 HG12 VAL 69 5.881 7.023 -11.036 538 HG13 VAL 69 HG13 VAL 69 5.501 7.012 -9.304 539 HG21 VAL 69 HG21 VAL 69 1.907 5.916 -9.853 540 HG22 VAL 69 HG22 VAL 69 3.301 4.875 -9.606 541 HG23 VAL 69 HG23 VAL 69 3.088 6.303 -8.577 542 HA PRO 70 HA PRO 70 4.682 10.249 -14.126 543 HB2 PRO 70 HB1 PRO 70 7.301 10.997 -13.967 544 HB3 PRO 70 HB2 PRO 70 5.965 11.943 -13.244 545 HG2 PRO 70 HG1 PRO 70 7.801 9.958 -11.881 546 HG3 PRO 70 HG2 PRO 70 7.330 11.603 -11.318 547 HD2 PRO 70 HD1 PRO 70 6.105 9.301 -10.427 548 HD3 PRO 70 HD2 PRO 70 5.223 10.845 -10.611 549 HA PRO 71 HA PRO 71 6.947 6.814 -16.114 550 HB2 PRO 71 HB1 PRO 71 8.256 8.150 -18.147 551 HB3 PRO 71 HB2 PRO 71 6.562 7.565 -18.149 552 HG2 PRO 71 HG1 PRO 71 7.586 10.346 -17.745 553 HG3 PRO 71 HG2 PRO 71 6.047 9.790 -18.523 554 HD2 PRO 71 HD1 PRO 71 6.239 10.804 -15.950 555 HD3 PRO 71 HD2 PRO 71 4.946 9.722 -16.524 556 H LYS 72 H LYS 72 8.985 5.817 -16.016 557 HA LYS 72 HA LYS 72 10.807 5.315 -14.839 558 HB2 LYS 72 HB1 LYS 72 11.381 7.689 -16.404 559 HB3 LYS 72 HB2 LYS 72 12.404 7.650 -14.944 560 HG2 LYS 72 HG1 LYS 72 13.497 6.457 -16.698 561 HG3 LYS 72 HG2 LYS 72 13.020 5.335 -15.418 562 HD2 LYS 72 HD1 LYS 72 12.795 4.360 -17.639 563 HD3 LYS 72 HD2 LYS 72 11.221 4.456 -16.838 564 HE2 LYS 72 HE1 LYS 72 10.585 6.359 -18.201 565 HE3 LYS 72 HE2 LYS 72 12.212 6.483 -18.893 566 HZ1 LYS 72 HZ1 LYS 72 10.679 5.336 -20.374 567 HZ2 LYS 72 HZ2 LYS 72 10.366 4.188 -19.243 568 HZ3 LYS 72 HZ3 LYS 72 11.851 4.311 -19.926 569 H GLY 73 H GLY 73 8.724 6.921 -13.565 570 HA2 GLY 73 HA3 GLY 73 9.814 8.047 -11.112 571 HA3 GLY 73 HA2 GLY 73 8.094 7.835 -11.508 572 H ARG 74 H ARG 74 10.584 6.882 -9.686 573 HA ARG 74 HA ARG 74 9.221 4.448 -8.643 574 HB2 ARG 74 HB1 ARG 74 11.622 4.222 -8.960 575 HB3 ARG 74 HB2 ARG 74 11.929 5.662 -7.970 576 HG2 ARG 74 HG1 ARG 74 11.173 4.519 -5.968 577 HG3 ARG 74 HG2 ARG 74 10.615 3.118 -6.905 578 HD2 ARG 74 HD1 ARG 74 12.908 2.655 -7.648 579 HD3 ARG 74 HD2 ARG 74 13.485 4.117 -6.806 580 HE ARG 74 HE ARG 74 12.660 2.953 -4.677 581 HH11 ARG 74 HH12 ARG 74 13.306 0.748 -7.349 582 HH12 ARG 74 HH11 ARG 74 14.189 -0.331 -6.328 583 HH21 ARG 74 HH22 ARG 74 13.466 1.526 -3.449 584 HH22 ARG 74 HH21 ARG 74 14.252 0.063 -4.027 585 H VAL 75 H VAL 75 8.152 4.473 -6.738 586 HA VAL 75 HA VAL 75 8.303 6.782 -4.892 587 HB VAL 75 HB VAL 75 5.836 6.941 -4.702 588 HG11 VAL 75 HG11 VAL 75 7.119 8.628 -5.971 589 HG12 VAL 75 HG12 VAL 75 6.856 7.705 -7.469 590 HG13 VAL 75 HG13 VAL 75 5.479 8.416 -6.608 591 HG21 VAL 75 HG21 VAL 75 5.104 4.839 -5.728 592 HG22 VAL 75 HG22 VAL 75 4.382 6.208 -6.568 593 HG23 VAL 75 HG23 VAL 75 5.746 5.345 -7.308 594 H GLU 76 H GLU 76 7.726 6.238 -2.756 595 HA GLU 76 HA GLU 76 7.517 3.293 -2.298 596 HB2 GLU 76 HB1 GLU 76 9.502 5.137 -0.938 597 HB3 GLU 76 HB2 GLU 76 9.394 3.360 -0.839 598 HG2 GLU 76 HG1 GLU 76 9.742 3.390 -3.401 599 HG3 GLU 76 HG2 GLU 76 10.255 5.073 -3.211 600 H LEU 77 H LEU 77 5.938 2.764 -1.017 601 HA LEU 77 HA LEU 77 4.380 4.791 0.355 602 HB2 LEU 77 HB1 LEU 77 4.099 1.821 -0.118 603 HB3 LEU 77 HB2 LEU 77 3.044 2.686 1.040 604 HG LEU 77 HG LEU 77 2.393 4.229 -0.846 605 HD11 LEU 77 HD11 LEU 77 2.584 3.354 -3.160 606 HD12 LEU 77 HD12 LEU 77 3.665 2.069 -2.588 607 HD13 LEU 77 HD13 LEU 77 4.162 3.777 -2.500 608 HD21 LEU 77 HD21 LEU 77 1.699 1.273 -1.060 609 HD22 LEU 77 HD22 LEU 77 0.755 2.608 -1.758 610 HD23 LEU 77 HD23 LEU 77 0.917 2.474 -0.005 611 H LYS 78 H LYS 78 6.036 5.545 1.728 612 HA LYS 78 HA LYS 78 6.946 3.933 3.955 613 HB2 LYS 78 HB1 LYS 78 7.806 6.131 4.804 614 HB3 LYS 78 HB2 LYS 78 8.346 5.679 3.162 615 HG2 LYS 78 HG1 LYS 78 6.497 7.214 2.293 616 HG3 LYS 78 HG2 LYS 78 6.325 7.814 3.946 617 HD2 LYS 78 HD1 LYS 78 9.005 7.800 2.542 618 HD3 LYS 78 HD2 LYS 78 7.846 9.112 2.264 619 HE2 LYS 78 HE1 LYS 78 8.809 8.313 5.041 620 HE3 LYS 78 HE2 LYS 78 9.665 9.501 4.023 621 HZ1 LYS 78 HZ1 LYS 78 6.870 9.718 5.007 622 HZ2 LYS 78 HZ2 LYS 78 7.583 10.785 3.984 623 HZ3 LYS 78 HZ3 LYS 78 8.129 10.601 5.526 624 HA PRO 79 HA PRO 79 3.095 3.989 6.059 625 HB2 PRO 79 HB1 PRO 79 3.889 3.696 8.728 626 HB3 PRO 79 HB2 PRO 79 3.686 2.389 7.526 627 HG2 PRO 79 HG1 PRO 79 6.219 3.822 8.324 628 HG3 PRO 79 HG2 PRO 79 5.971 2.062 8.042 629 HD2 PRO 79 HD1 PRO 79 7.099 3.632 6.144 630 HD3 PRO 79 HD2 PRO 79 5.917 2.372 5.684 631 H GLY 80 H GLY 80 5.545 6.173 7.636 632 HA2 GLY 80 HA3 GLY 80 3.467 8.181 8.196 633 HA3 GLY 80 HA2 GLY 80 5.226 8.379 8.375 634 H GLY 81 H GLY 81 2.754 7.899 5.847 635 HA2 GLY 81 HA3 GLY 81 3.532 10.007 4.062 636 HA3 GLY 81 HA2 GLY 81 4.339 8.486 3.619 637 H TYR 82 H TYR 82 3.036 6.648 3.234 638 HA TYR 82 HA TYR 82 0.207 6.844 2.483 639 HB2 TYR 82 HB1 TYR 82 2.348 6.300 0.400 640 HB3 TYR 82 HB2 TYR 82 0.596 6.199 0.164 641 HD1 TYR 82 HD1 TYR 82 -0.785 8.348 0.414 642 HD2 TYR 82 HD2 TYR 82 3.511 8.323 0.065 643 HE1 TYR 82 HE1 TYR 82 -0.823 10.785 -0.064 644 HE2 TYR 82 HE2 TYR 82 3.486 10.749 -0.462 645 HH TYR 82 HH TYR 82 0.427 12.620 -0.533 646 H HIS 83 H HIS 83 -0.714 4.739 2.310 647 HA HIS 83 HA HIS 83 0.922 2.350 2.318 648 HB2 HIS 83 HB1 HIS 83 0.503 1.575 4.541 649 HB3 HIS 83 HB2 HIS 83 1.306 3.136 4.672 650 HD1 HIS 83 HD1 HIS 83 -0.253 5.167 5.717 651 HD2 HIS 83 HD2 HIS 83 -2.007 1.351 5.448 652 HE1 HIS 83 HE1 HIS 83 -2.431 5.274 7.003 653 H PHE 84 H PHE 84 -0.491 0.394 2.818 654 HA PHE 84 HA PHE 84 -3.269 0.826 1.802 655 HB2 PHE 84 HB1 PHE 84 -1.257 -1.414 1.578 656 HB3 PHE 84 HB2 PHE 84 -2.979 -1.675 1.279 657 HD1 PHE 84 HD1 PHE 84 -4.040 0.181 -0.429 658 HD2 PHE 84 HD2 PHE 84 0.106 -0.975 -0.254 659 HE1 PHE 84 HE1 PHE 84 -3.820 0.578 -2.866 660 HE2 PHE 84 HE2 PHE 84 0.348 -0.436 -2.668 661 HZ PHE 84 HZ PHE 84 -1.635 0.261 -3.989 662 H MET 85 H MET 85 -4.861 0.472 3.178 663 HA MET 85 HA MET 85 -4.457 -1.074 5.708 664 HB2 MET 85 HB1 MET 85 -6.445 0.929 4.705 665 HB3 MET 85 HB2 MET 85 -7.024 -0.303 5.857 666 HG2 MET 85 HG1 MET 85 -4.589 1.417 6.371 667 HG3 MET 85 HG2 MET 85 -6.238 1.857 6.878 668 HE1 MET 85 HE1 MET 85 -3.288 -0.626 9.149 669 HE2 MET 85 HE2 MET 85 -3.230 -0.656 7.377 670 HE3 MET 85 HE3 MET 85 -3.114 0.901 8.238 671 H LEU 86 H LEU 86 -4.966 -3.132 5.842 672 HA LEU 86 HA LEU 86 -6.435 -4.485 3.622 673 HB2 LEU 86 HB1 LEU 86 -4.859 -5.662 5.943 674 HB3 LEU 86 HB2 LEU 86 -5.441 -6.532 4.514 675 HG LEU 86 HG LEU 86 -3.221 -4.440 4.593 676 HD11 LEU 86 HD11 LEU 86 -3.160 -7.462 4.192 677 HD12 LEU 86 HD12 LEU 86 -2.576 -6.571 5.617 678 HD13 LEU 86 HD13 LEU 86 -1.768 -6.367 4.057 679 HD21 LEU 86 HD21 LEU 86 -2.804 -5.116 2.231 680 HD22 LEU 86 HD22 LEU 86 -4.364 -4.323 2.456 681 HD23 LEU 86 HD23 LEU 86 -4.292 -6.091 2.260 682 H LEU 87 H LEU 87 -8.376 -5.562 3.963 683 HA LEU 87 HA LEU 87 -9.359 -5.901 6.741 684 HB2 LEU 87 HB1 LEU 87 -10.226 -3.875 4.811 685 HB3 LEU 87 HB2 LEU 87 -11.586 -4.898 5.309 686 HG LEU 87 HG LEU 87 -9.704 -3.593 7.315 687 HD11 LEU 87 HD11 LEU 87 -12.357 -2.500 6.314 688 HD12 LEU 87 HD12 LEU 87 -10.759 -1.826 5.912 689 HD13 LEU 87 HD13 LEU 87 -11.334 -1.805 7.588 690 HD21 LEU 87 HD21 LEU 87 -11.129 -5.481 8.139 691 HD22 LEU 87 HD22 LEU 87 -12.569 -4.664 7.506 692 HD23 LEU 87 HD23 LEU 87 -11.644 -3.941 8.842 693 H GLY 88 H GLY 88 -10.681 -7.522 7.144 694 HA2 GLY 88 HA3 GLY 88 -12.000 -9.418 6.811 695 HA3 GLY 88 HA2 GLY 88 -12.008 -9.110 5.060 696 H LEU 89 H LEU 89 -9.523 -9.852 7.593 697 HA LEU 89 HA LEU 89 -7.751 -11.002 5.668 698 HB2 LEU 89 HB1 LEU 89 -7.675 -11.256 8.679 699 HB3 LEU 89 HB2 LEU 89 -6.339 -11.578 7.548 700 HG LEU 89 HG LEU 89 -7.583 -8.907 8.262 701 HD11 LEU 89 HD11 LEU 89 -4.734 -9.959 8.510 702 HD12 LEU 89 HD12 LEU 89 -5.927 -9.955 9.825 703 HD13 LEU 89 HD13 LEU 89 -5.379 -8.428 9.134 704 HD21 LEU 89 HD21 LEU 89 -5.922 -7.858 6.746 705 HD22 LEU 89 HD22 LEU 89 -7.125 -8.791 5.857 706 HD23 LEU 89 HD23 LEU 89 -5.495 -9.464 6.110 707 H LYS 90 H LYS 90 -7.254 -12.960 5.071 708 HA LYS 90 HA LYS 90 -9.127 -15.152 5.793 709 HB2 LYS 90 HB1 LYS 90 -7.418 -14.612 3.335 710 HB3 LYS 90 HB2 LYS 90 -8.475 -16.030 3.541 711 HG2 LYS 90 HG1 LYS 90 -10.433 -14.594 3.788 712 HG3 LYS 90 HG2 LYS 90 -9.419 -13.128 3.696 713 HD2 LYS 90 HD1 LYS 90 -8.912 -13.517 1.386 714 HD3 LYS 90 HD2 LYS 90 -9.790 -15.056 1.394 715 HE2 LYS 90 HE1 LYS 90 -11.890 -13.950 1.832 716 HE3 LYS 90 HE2 LYS 90 -11.086 -12.411 2.217 717 HZ1 LYS 90 HZ1 LYS 90 -12.119 -12.399 0.060 718 HZ2 LYS 90 HZ2 LYS 90 -11.186 -13.634 -0.471 719 HZ3 LYS 90 HZ3 LYS 90 -10.498 -12.174 -0.070 720 H ARG 91 H ARG 91 -6.017 -14.295 6.621 721 HA ARG 91 HA ARG 91 -6.055 -16.737 8.196 722 HB2 ARG 91 HB1 ARG 91 -3.288 -15.877 7.695 723 HB3 ARG 91 HB2 ARG 91 -3.945 -17.499 7.905 724 HG2 ARG 91 HG1 ARG 91 -4.648 -17.375 5.445 725 HG3 ARG 91 HG2 ARG 91 -3.722 -15.851 5.356 726 HD2 ARG 91 HD1 ARG 91 -2.160 -17.475 4.644 727 HD3 ARG 91 HD2 ARG 91 -1.749 -17.215 6.345 728 HE ARG 91 HE ARG 91 -3.706 -19.326 5.874 729 HH11 ARG 91 HH12 ARG 91 -0.185 -18.819 5.956 730 HH12 ARG 91 HH11 ARG 91 0.129 -20.473 6.315 731 HH21 ARG 91 HH22 ARG 91 -3.210 -21.456 6.304 732 HH22 ARG 91 HH21 ARG 91 -1.546 -21.933 6.525 733 HA PRO 92 HA PRO 92 -4.033 -13.563 10.959 734 HB2 PRO 92 HB1 PRO 92 -3.034 -15.213 12.862 735 HB3 PRO 92 HB2 PRO 92 -4.718 -14.617 12.915 736 HG2 PRO 92 HG1 PRO 92 -3.692 -17.307 11.993 737 HG3 PRO 92 HG2 PRO 92 -5.173 -16.943 12.953 738 HD2 PRO 92 HD1 PRO 92 -5.094 -17.407 10.176 739 HD3 PRO 92 HD2 PRO 92 -6.393 -16.517 11.020 740 H LEU 93 H LEU 93 -2.060 -13.056 10.194 741 HA LEU 93 HA LEU 93 -0.918 -14.856 8.197 742 HB2 LEU 93 HB1 LEU 93 -0.629 -11.982 8.929 743 HB3 LEU 93 HB2 LEU 93 0.742 -12.774 8.102 744 HG LEU 93 HG LEU 93 -0.644 -13.365 6.215 745 HD11 LEU 93 HD11 LEU 93 -2.925 -11.995 7.716 746 HD12 LEU 93 HD12 LEU 93 -2.837 -13.699 7.207 747 HD13 LEU 93 HD13 LEU 93 -2.963 -12.429 5.991 748 HD21 LEU 93 HD21 LEU 93 0.473 -11.155 6.283 749 HD22 LEU 93 HD22 LEU 93 -0.977 -10.436 7.016 750 HD23 LEU 93 HD23 LEU 93 -1.042 -11.089 5.368 751 H LYS 94 H LYS 94 0.635 -16.193 8.398 752 HA LYS 94 HA LYS 94 1.910 -16.690 10.967 753 HB2 LYS 94 HB1 LYS 94 1.107 -18.429 9.432 754 HB3 LYS 94 HB2 LYS 94 2.237 -17.907 8.183 755 HG2 LYS 94 HG1 LYS 94 2.981 -19.172 10.852 756 HG3 LYS 94 HG2 LYS 94 2.916 -19.997 9.268 757 HD2 LYS 94 HD1 LYS 94 4.611 -18.281 8.460 758 HD3 LYS 94 HD2 LYS 94 4.782 -17.826 10.181 759 HE2 LYS 94 HE1 LYS 94 5.563 -20.083 10.718 760 HE3 LYS 94 HE2 LYS 94 5.429 -20.531 9.002 761 HZ1 LYS 94 HZ1 LYS 94 7.696 -19.759 9.659 762 HZ2 LYS 94 HZ2 LYS 94 7.061 -18.267 10.011 763 HZ3 LYS 94 HZ3 LYS 94 7.029 -18.819 8.479 764 H ALA 95 H ALA 95 3.366 -15.076 11.581 765 HA ALA 95 HA ALA 95 5.116 -13.580 10.133 766 HB1 ALA 95 HB1 ALA 95 4.861 -13.464 12.578 767 HB2 ALA 95 HB2 ALA 95 5.761 -14.994 12.755 768 HB3 ALA 95 HB3 ALA 95 6.573 -13.546 12.119 769 H GLY 96 H GLY 96 6.497 -13.912 8.568 770 HA2 GLY 96 HA3 GLY 96 8.137 -14.900 7.252 771 HA3 GLY 96 HA2 GLY 96 8.349 -16.181 8.467 772 H GLU 97 H GLU 97 5.373 -15.173 6.717 773 HA GLU 97 HA GLU 97 5.840 -17.272 4.721 774 HB2 GLU 97 HB1 GLU 97 3.548 -17.580 4.325 775 HB3 GLU 97 HB2 GLU 97 3.784 -17.812 6.056 776 HG2 GLU 97 HG1 GLU 97 2.893 -15.442 6.363 777 HG3 GLU 97 HG2 GLU 97 2.501 -15.431 4.628 778 H GLU 98 H GLU 98 4.056 -16.148 2.790 779 HA GLU 98 HA GLU 98 4.866 -13.337 2.473 780 HB2 GLU 98 HB1 GLU 98 5.322 -15.438 0.324 781 HB3 GLU 98 HB2 GLU 98 5.482 -13.677 0.121 782 HG2 GLU 98 HG1 GLU 98 7.213 -14.080 2.176 783 HG3 GLU 98 HG2 GLU 98 7.320 -15.664 1.389 784 H VAL 99 H VAL 99 3.656 -12.261 0.805 785 HA VAL 99 HA VAL 99 0.892 -13.368 0.354 786 HB VAL 99 HB VAL 99 1.826 -10.663 1.408 787 HG11 VAL 99 HG11 VAL 99 0.087 -10.007 -0.059 788 HG12 VAL 99 HG12 VAL 99 -0.886 -11.463 0.325 789 HG13 VAL 99 HG13 VAL 99 -0.712 -10.149 1.499 790 HG21 VAL 99 HG21 VAL 99 0.368 -11.187 3.332 791 HG22 VAL 99 HG22 VAL 99 -0.020 -12.765 2.609 792 HG23 VAL 99 HG23 VAL 99 1.631 -12.400 3.133 793 H GLU 100 H GLU 100 0.116 -13.099 -1.667 794 HA GLU 100 HA GLU 100 1.539 -11.418 -3.654 795 HB2 GLU 100 HB1 GLU 100 -0.978 -13.101 -3.795 796 HB3 GLU 100 HB2 GLU 100 -0.444 -11.988 -5.094 797 HG2 GLU 100 HG1 GLU 100 1.812 -13.387 -4.843 798 HG3 GLU 100 HG2 GLU 100 0.695 -14.632 -4.263 799 H LEU 101 H LEU 101 0.804 -9.493 -4.469 800 HA LEU 101 HA LEU 101 -1.842 -8.449 -3.743 801 HB2 LEU 101 HB1 LEU 101 -0.281 -7.927 -1.967 802 HB3 LEU 101 HB2 LEU 101 0.781 -7.120 -3.123 803 HG LEU 101 HG LEU 101 -0.133 -5.564 -1.779 804 HD11 LEU 101 HD11 LEU 101 -1.848 -5.355 -4.263 805 HD12 LEU 101 HD12 LEU 101 -0.086 -5.080 -4.290 806 HD13 LEU 101 HD13 LEU 101 -1.118 -4.016 -3.329 807 HD21 LEU 101 HD21 LEU 101 -2.032 -6.757 -0.844 808 HD22 LEU 101 HD22 LEU 101 -2.947 -6.528 -2.355 809 HD23 LEU 101 HD23 LEU 101 -2.491 -5.135 -1.346 810 H ASP 102 H ASP 102 -2.714 -7.794 -5.507 811 HA ASP 102 HA ASP 102 -1.470 -7.031 -8.069 812 HB2 ASP 102 HB1 ASP 102 -4.215 -7.444 -6.892 813 HB3 ASP 102 HB2 ASP 102 -4.061 -6.483 -8.362 814 H LEU 103 H LEU 103 -0.611 -4.898 -8.206 815 HA LEU 103 HA LEU 103 -1.906 -2.701 -6.691 816 HB2 LEU 103 HB1 LEU 103 0.366 -2.810 -8.706 817 HB3 LEU 103 HB2 LEU 103 -0.237 -1.304 -7.989 818 HG LEU 103 HG LEU 103 0.888 -3.611 -6.339 819 HD11 LEU 103 HD11 LEU 103 2.268 -1.140 -7.463 820 HD12 LEU 103 HD12 LEU 103 2.613 -2.831 -7.880 821 HD13 LEU 103 HD13 LEU 103 2.976 -2.230 -6.255 822 HD21 LEU 103 HD21 LEU 103 -0.559 -2.016 -5.090 823 HD22 LEU 103 HD22 LEU 103 0.399 -0.654 -5.714 824 HD23 LEU 103 HD23 LEU 103 1.126 -1.827 -4.613 825 H LEU 104 H LEU 104 -3.596 -1.576 -7.440 826 HA LEU 104 HA LEU 104 -4.604 -2.238 -10.154 827 HB2 LEU 104 HB1 LEU 104 -6.010 -0.800 -7.886 828 HB3 LEU 104 HB2 LEU 104 -6.743 -1.508 -9.332 829 HG LEU 104 HG LEU 104 -5.578 -2.913 -6.969 830 HD11 LEU 104 HD11 LEU 104 -7.835 -2.029 -6.643 831 HD12 LEU 104 HD12 LEU 104 -7.892 -3.797 -6.717 832 HD13 LEU 104 HD13 LEU 104 -8.395 -2.840 -8.123 833 HD21 LEU 104 HD21 LEU 104 -6.611 -4.149 -9.566 834 HD22 LEU 104 HD22 LEU 104 -6.317 -5.065 -8.072 835 HD23 LEU 104 HD23 LEU 104 -4.969 -4.283 -8.894 836 H PHE 105 H PHE 105 -4.604 -0.796 -11.800 837 HA PHE 105 HA PHE 105 -4.179 2.107 -11.146 838 HB2 PHE 105 HB1 PHE 105 -3.055 0.470 -13.422 839 HB3 PHE 105 HB2 PHE 105 -2.796 2.190 -13.198 840 HD1 PHE 105 HD1 PHE 105 -1.233 2.985 -11.413 841 HD2 PHE 105 HD2 PHE 105 -1.841 -1.205 -12.201 842 HE1 PHE 105 HE1 PHE 105 0.894 2.456 -10.257 843 HE2 PHE 105 HE2 PHE 105 0.251 -1.735 -11.001 844 HZ PHE 105 HZ PHE 105 1.638 0.085 -10.037 845 H ALA 106 H ALA 106 -5.008 3.636 -12.517 846 HA ALA 106 HA ALA 106 -7.478 2.986 -13.930 847 HB1 ALA 106 HB1 ALA 106 -5.907 5.592 -13.838 848 HB2 ALA 106 HB2 ALA 106 -7.600 5.393 -14.335 849 HB3 ALA 106 HB3 ALA 106 -7.138 5.104 -12.648 850 H GLY 107 H GLY 107 -7.892 3.551 -16.202 851 HA2 GLY 107 HA3 GLY 107 -7.413 3.676 -18.452 852 HA3 GLY 107 HA2 GLY 107 -5.712 3.987 -18.037 853 H GLY 108 H GLY 108 -7.160 1.064 -16.792 854 HA2 GLY 108 HA3 GLY 108 -7.202 -1.133 -17.503 855 HA3 GLY 108 HA2 GLY 108 -6.678 -0.599 -19.116 856 H LYS 109 H LYS 109 -5.277 -0.728 -15.769 857 HA LYS 109 HA LYS 109 -3.024 -2.386 -16.688 858 HB2 LYS 109 HB1 LYS 109 -3.064 0.414 -15.548 859 HB3 LYS 109 HB2 LYS 109 -1.756 -0.696 -15.116 860 HG2 LYS 109 HG1 LYS 109 -0.689 0.038 -16.946 861 HG3 LYS 109 HG2 LYS 109 -1.875 -0.840 -17.911 862 HD2 LYS 109 HD1 LYS 109 -3.335 1.356 -17.562 863 HD3 LYS 109 HD2 LYS 109 -1.766 2.092 -17.147 864 HE2 LYS 109 HE1 LYS 109 -1.957 2.518 -19.446 865 HE3 LYS 109 HE2 LYS 109 -0.939 1.071 -19.391 866 HZ1 LYS 109 HZ1 LYS 109 -3.859 1.191 -19.923 867 HZ2 LYS 109 HZ2 LYS 109 -3.063 -0.209 -19.734 868 HZ3 LYS 109 HZ3 LYS 109 -2.700 0.779 -21.014 869 H VAL 110 H VAL 110 -2.407 -3.843 -15.121 870 HA VAL 110 HA VAL 110 -2.671 -3.251 -12.315 871 HB VAL 110 HB VAL 110 -4.777 -4.310 -12.704 872 HG11 VAL 110 HG11 VAL 110 -3.336 -6.697 -13.907 873 HG12 VAL 110 HG12 VAL 110 -5.071 -6.587 -13.543 874 HG13 VAL 110 HG13 VAL 110 -4.370 -5.532 -14.772 875 HG21 VAL 110 HG21 VAL 110 -3.589 -4.911 -10.589 876 HG22 VAL 110 HG22 VAL 110 -4.679 -6.193 -11.123 877 HG23 VAL 110 HG23 VAL 110 -2.931 -6.352 -11.380 878 H LEU 111 H LEU 111 -1.001 -4.207 -11.179 879 HA LEU 111 HA LEU 111 0.870 -6.072 -12.568 880 HB2 LEU 111 HB1 LEU 111 1.637 -3.364 -11.412 881 HB3 LEU 111 HB2 LEU 111 2.784 -4.593 -11.972 882 HG LEU 111 HG LEU 111 0.773 -3.154 -13.764 883 HD11 LEU 111 HD11 LEU 111 2.388 -1.565 -12.814 884 HD12 LEU 111 HD12 LEU 111 2.691 -1.822 -14.540 885 HD13 LEU 111 HD13 LEU 111 3.736 -2.601 -13.331 886 HD21 LEU 111 HD21 LEU 111 1.556 -5.363 -14.654 887 HD22 LEU 111 HD22 LEU 111 3.235 -4.836 -14.445 888 HD23 LEU 111 HD23 LEU 111 2.177 -4.009 -15.607 889 H LYS 112 H LYS 112 0.883 -7.725 -11.124 890 HA LYS 112 HA LYS 112 0.694 -7.081 -8.271 891 HB2 LYS 112 HB1 LYS 112 0.065 -9.275 -7.871 892 HB3 LYS 112 HB2 LYS 112 -0.797 -8.755 -9.325 893 HG2 LYS 112 HG1 LYS 112 0.626 -10.133 -10.728 894 HG3 LYS 112 HG2 LYS 112 1.652 -10.555 -9.329 895 HD2 LYS 112 HD1 LYS 112 -0.296 -11.565 -8.192 896 HD3 LYS 112 HD2 LYS 112 -1.327 -11.188 -9.583 897 HE2 LYS 112 HE1 LYS 112 -0.111 -12.728 -10.993 898 HE3 LYS 112 HE2 LYS 112 1.203 -12.863 -9.778 899 HZ1 LYS 112 HZ1 LYS 112 -0.242 -13.955 -8.314 900 HZ2 LYS 112 HZ2 LYS 112 -0.285 -14.780 -9.702 901 HZ3 LYS 112 HZ3 LYS 112 -1.555 -13.798 -9.257 902 H VAL 113 H VAL 113 1.974 -7.840 -6.662 903 HA VAL 113 HA VAL 113 4.641 -8.977 -7.378 904 HB VAL 113 HB VAL 113 5.789 -7.450 -5.854 905 HG11 VAL 113 HG11 VAL 113 5.759 -5.435 -7.284 906 HG12 VAL 113 HG12 VAL 113 5.682 -6.900 -8.273 907 HG13 VAL 113 HG13 VAL 113 4.224 -5.921 -7.991 908 HG21 VAL 113 HG21 VAL 113 3.926 -6.831 -4.338 909 HG22 VAL 113 HG22 VAL 113 4.719 -5.406 -5.009 910 HG23 VAL 113 HG23 VAL 113 3.150 -5.917 -5.652 911 H VAL 114 H VAL 114 5.761 -9.912 -5.539 912 HA VAL 114 HA VAL 114 3.990 -11.017 -3.477 913 HB VAL 114 HB VAL 114 6.073 -12.373 -2.903 914 HG11 VAL 114 HG11 VAL 114 4.401 -12.938 -5.391 915 HG12 VAL 114 HG12 VAL 114 5.346 -14.143 -4.490 916 HG13 VAL 114 HG13 VAL 114 3.972 -13.343 -3.714 917 HG21 VAL 114 HG21 VAL 114 7.533 -11.113 -4.465 918 HG22 VAL 114 HG22 VAL 114 7.534 -12.872 -4.769 919 HG23 VAL 114 HG23 VAL 114 6.595 -11.782 -5.819 920 H LEU 115 H LEU 115 4.490 -10.752 -1.314 921 HA LEU 115 HA LEU 115 6.626 -8.854 -0.467 922 HB2 LEU 115 HB1 LEU 115 3.659 -8.740 0.224 923 HB3 LEU 115 HB2 LEU 115 4.899 -7.719 0.959 924 HG LEU 115 HG LEU 115 4.089 -7.662 -1.983 925 HD11 LEU 115 HD11 LEU 115 3.356 -5.794 0.312 926 HD12 LEU 115 HD12 LEU 115 2.263 -6.935 -0.502 927 HD13 LEU 115 HD13 LEU 115 2.934 -5.567 -1.400 928 HD21 LEU 115 HD21 LEU 115 6.452 -6.865 -1.499 929 HD22 LEU 115 HD22 LEU 115 5.757 -5.681 -0.382 930 HD23 LEU 115 HD23 LEU 115 5.385 -5.605 -2.116 931 HA PRO 116 HA PRO 116 6.670 -12.171 2.630 932 HB2 PRO 116 HB1 PRO 116 8.641 -11.245 4.297 933 HB3 PRO 116 HB2 PRO 116 8.962 -11.997 2.703 934 HG2 PRO 116 HG1 PRO 116 8.729 -9.039 3.341 935 HG3 PRO 116 HG2 PRO 116 10.040 -9.874 2.431 936 HD2 PRO 116 HD1 PRO 116 8.011 -8.654 1.120 937 HD3 PRO 116 HD2 PRO 116 8.618 -10.244 0.564 938 H VAL 117 H VAL 117 6.005 -12.540 4.791 939 HA VAL 117 HA VAL 117 4.453 -10.397 6.039 940 HB VAL 117 HB VAL 117 4.752 -13.360 6.663 941 HG11 VAL 117 HG11 VAL 117 2.925 -11.306 7.956 942 HG12 VAL 117 HG12 VAL 117 2.947 -13.072 8.252 943 HG13 VAL 117 HG13 VAL 117 4.319 -12.083 8.734 944 HG21 VAL 117 HG21 VAL 117 3.450 -12.953 4.632 945 HG22 VAL 117 HG22 VAL 117 2.286 -13.267 5.932 946 HG23 VAL 117 HG23 VAL 117 2.581 -11.610 5.396 947 H GLU 118 H GLU 118 5.337 -9.080 7.268 948 HA GLU 118 HA GLU 118 7.306 -9.778 9.399 949 HB2 GLU 118 HB1 GLU 118 7.743 -7.906 7.549 950 HB3 GLU 118 HB2 GLU 118 6.610 -6.978 8.553 951 HG2 GLU 118 HG1 GLU 118 8.222 -7.587 10.513 952 HG3 GLU 118 HG2 GLU 118 9.373 -8.032 9.242 953 H ALA 119 H ALA 119 6.719 -8.068 11.348 954 HA ALA 119 HA ALA 119 3.830 -7.533 11.562 955 HB1 ALA 119 HB1 ALA 119 5.384 -9.060 13.692 956 HB2 ALA 119 HB2 ALA 119 3.697 -8.508 13.807 957 HB3 ALA 119 HB3 ALA 119 4.146 -9.756 12.620 958 H ARG 120 H ARG 120 3.605 -5.500 12.128 959 HA ARG 120 HA ARG 120 5.623 -3.965 13.638 960 HB2 ARG 120 HB1 ARG 120 6.162 -4.502 11.113 961 HB3 ARG 120 HB2 ARG 120 4.969 -3.261 10.741 962 HG2 ARG 120 HG1 ARG 120 7.058 -2.177 10.683 963 HG3 ARG 120 HG2 ARG 120 6.360 -1.688 12.231 964 HD2 ARG 120 HD1 ARG 120 7.779 -3.165 13.448 965 HD3 ARG 120 HD2 ARG 120 8.154 -4.143 12.018 966 HE ARG 120 HE ARG 120 9.528 -1.784 12.932 967 HH11 ARG 120 HH12 ARG 120 8.820 -3.651 10.027 968 HH12 ARG 120 HH11 ARG 120 10.304 -3.382 9.355 969 HH21 ARG 120 HH22 ARG 120 11.438 -1.249 11.826 970 HH22 ARG 120 HH21 ARG 120 11.620 -1.812 10.178 Start of MODEL 26 1 H1 GLY 1 1H GLY 1 13.714 -4.412 3.169 2 H2 GLY 1 2H GLY 1 14.594 -5.416 4.128 3 H3 GLY 1 3H GLY 1 14.593 -5.612 2.496 4 HA2 GLY 1 HA3 GLY 1 16.661 -4.580 3.204 5 HA3 GLY 1 HA2 GLY 1 15.698 -3.474 2.198 6 H SER 2 H SER 2 15.970 -1.478 3.044 7 HA SER 2 HA SER 2 15.043 -0.989 5.866 8 HB2 SER 2 HB1 SER 2 16.969 0.381 5.045 9 HB3 SER 2 HB2 SER 2 15.938 1.015 3.751 10 HG SER 2 HG SER 2 16.076 2.317 5.730 11 H PHE 3 H PHE 3 13.521 1.374 4.917 12 HA PHE 3 HA PHE 3 11.061 0.233 3.854 13 HB2 PHE 3 HB1 PHE 3 11.982 3.105 4.213 14 HB3 PHE 3 HB2 PHE 3 10.333 2.599 3.812 15 HD1 PHE 3 HD2 PHE 3 8.929 1.435 5.501 16 HD2 PHE 3 HD1 PHE 3 12.873 2.885 6.471 17 HE1 PHE 3 HE2 PHE 3 8.418 1.225 7.929 18 HE2 PHE 3 HE1 PHE 3 12.349 2.688 8.887 19 HZ PHE 3 HZ PHE 3 10.121 1.860 9.617 20 H THR 4 H THR 4 12.193 -0.794 2.129 21 HA THR 4 HA THR 4 12.774 0.718 -0.407 22 HB THR 4 HB THR 4 14.797 -0.767 -0.560 23 HG1 THR 4 HG1 THR 4 13.993 -1.257 2.040 24 HG21 THR 4 HG21 THR 4 14.831 1.342 1.649 25 HG22 THR 4 HG22 THR 4 14.974 1.659 -0.089 26 HG23 THR 4 HG23 THR 4 16.242 0.743 0.745 27 H GLU 5 H GLU 5 11.448 -1.913 1.078 28 HA GLU 5 HA GLU 5 10.825 -3.563 -1.243 29 HB2 GLU 5 HB1 GLU 5 13.026 -4.343 -0.684 30 HB3 GLU 5 HB2 GLU 5 12.635 -4.299 1.052 31 HG2 GLU 5 HG1 GLU 5 11.097 -6.236 0.700 32 HG3 GLU 5 HG2 GLU 5 11.615 -6.297 -0.998 33 H GLY 6 H GLY 6 9.096 -5.214 -0.485 34 HA2 GLY 6 HA3 GLY 6 7.468 -3.693 1.477 35 HA3 GLY 6 HA2 GLY 6 6.856 -4.578 0.062 36 H TRP 7 H TRP 7 5.598 -4.797 2.382 37 HA TRP 7 HA TRP 7 5.640 -7.621 2.776 38 HB2 TRP 7 HB1 TRP 7 5.851 -7.688 5.174 39 HB3 TRP 7 HB2 TRP 7 7.314 -7.020 4.472 40 HD1 TRP 7 HD TRP 7 4.946 -6.566 7.179 41 HE1 TRP 7 HE1 TRP 7 5.431 -4.407 8.523 42 HE3 TRP 7 3HE TRP 7 8.011 -4.170 3.834 43 HZ2 TRP 7 HZ2 TRP 7 6.713 -1.918 8.078 44 HZ3 TRP 7 HZ3 TRP 7 8.802 -1.887 4.295 45 HH2 TRP 7 HH TRP 7 8.173 -0.741 6.416 46 H VAL 8 H VAL 8 3.626 -8.433 3.468 47 HA VAL 8 HA VAL 8 1.467 -6.492 4.239 48 HB VAL 8 HB VAL 8 1.483 -9.482 3.845 49 HG11 VAL 8 HG11 VAL 8 -0.754 -7.843 5.113 50 HG12 VAL 8 HG12 VAL 8 -0.935 -9.499 4.496 51 HG13 VAL 8 HG13 VAL 8 0.148 -9.188 5.852 52 HG21 VAL 8 HG21 VAL 8 -0.248 -9.039 2.198 53 HG22 VAL 8 HG22 VAL 8 -0.351 -7.346 2.666 54 HG23 VAL 8 HG23 VAL 8 1.111 -7.945 1.861 55 H ARG 9 H ARG 9 0.839 -6.249 6.399 56 HA ARG 9 HA ARG 9 3.000 -6.841 8.257 57 HB2 ARG 9 HB1 ARG 9 1.630 -4.670 7.896 58 HB3 ARG 9 HB2 ARG 9 0.459 -5.387 8.992 59 HG2 ARG 9 HG1 ARG 9 3.383 -4.767 9.502 60 HG3 ARG 9 HG2 ARG 9 1.972 -3.974 10.226 61 HD2 ARG 9 HD1 ARG 9 1.463 -6.225 11.342 62 HD3 ARG 9 HD2 ARG 9 3.059 -6.766 10.759 63 HE ARG 9 HE ARG 9 4.133 -5.310 12.215 64 HH11 ARG 9 HH12 ARG 9 0.668 -5.121 12.848 65 HH12 ARG 9 HH11 ARG 9 0.865 -3.791 13.964 66 HH21 ARG 9 HH22 ARG 9 4.295 -3.514 13.358 67 HH22 ARG 9 HH21 ARG 9 2.949 -2.883 14.304 68 H PHE 10 H PHE 10 3.034 -8.920 8.993 69 HA PHE 10 HA PHE 10 0.729 -10.341 10.046 70 HB2 PHE 10 HB1 PHE 10 2.493 -11.765 9.631 71 HB3 PHE 10 HB2 PHE 10 3.702 -10.666 10.308 72 HD1 PHE 10 HD1 PHE 10 0.511 -11.859 11.960 73 HD2 PHE 10 HD2 PHE 10 4.810 -12.077 11.841 74 HE1 PHE 10 HE1 PHE 10 0.509 -12.944 14.175 75 HE2 PHE 10 HE2 PHE 10 4.808 -13.193 14.055 76 HZ PHE 10 HZ PHE 10 2.657 -13.585 15.250 77 H SER 11 H SER 11 -0.540 -9.283 11.431 78 HA SER 11 HA SER 11 0.436 -9.394 14.144 79 HB2 SER 11 HB1 SER 11 -0.804 -7.181 14.628 80 HB3 SER 11 HB2 SER 11 0.830 -7.077 13.952 81 HG SER 11 HG SER 11 -1.399 -7.046 12.235 82 HA PRO 12 HA PRO 12 -3.638 -11.179 14.151 83 HB2 PRO 12 HB1 PRO 12 -4.095 -11.639 16.774 84 HB3 PRO 12 HB2 PRO 12 -2.734 -12.417 15.908 85 HG2 PRO 12 HG1 PRO 12 -2.645 -9.887 17.585 86 HG3 PRO 12 HG2 PRO 12 -1.593 -11.340 17.732 87 HD2 PRO 12 HD1 PRO 12 -0.833 -9.137 16.303 88 HD3 PRO 12 HD2 PRO 12 -0.422 -10.789 15.762 89 H GLY 13 H GLY 13 -4.360 -9.074 13.233 90 HA2 GLY 13 HA3 GLY 13 -6.593 -8.040 14.912 91 HA3 GLY 13 HA2 GLY 13 -5.594 -6.910 13.970 92 HA PRO 14 HA PRO 14 -8.963 -9.082 11.263 93 HB2 PRO 14 HB1 PRO 14 -11.160 -7.470 11.529 94 HB3 PRO 14 HB2 PRO 14 -10.857 -8.885 12.582 95 HG2 PRO 14 HG1 PRO 14 -10.219 -5.976 13.147 96 HG3 PRO 14 HG2 PRO 14 -11.059 -7.153 14.218 97 HD2 PRO 14 HD1 PRO 14 -8.394 -6.615 14.472 98 HD3 PRO 14 HD2 PRO 14 -9.035 -8.266 14.719 99 H ASN 15 H ASN 15 -8.046 -5.752 11.970 100 HA ASN 15 HA ASN 15 -7.407 -5.407 9.101 101 HB2 ASN 15 HB1 ASN 15 -8.814 -3.613 9.767 102 HB3 ASN 15 HB2 ASN 15 -7.981 -3.389 11.304 103 HD21 ASN 15 HD21 ASN 15 -8.273 -1.118 10.268 104 HD22 ASN 15 HD22 ASN 15 -6.869 -0.572 9.346 105 H ALA 16 H ALA 16 -5.408 -5.168 8.674 106 HA ALA 16 HA ALA 16 -3.350 -4.421 10.516 107 HB1 ALA 16 HB1 ALA 16 -2.962 -7.046 8.991 108 HB2 ALA 16 HB2 ALA 16 -1.753 -6.217 10.000 109 HB3 ALA 16 HB3 ALA 16 -3.200 -6.910 10.744 110 H ALA 17 H ALA 17 -1.340 -3.822 9.190 111 HA ALA 17 HA ALA 17 -2.286 -2.381 6.802 112 HB1 ALA 17 HB1 ALA 17 -0.167 -1.161 7.053 113 HB2 ALA 17 HB2 ALA 17 -0.992 -1.248 8.615 114 HB3 ALA 17 HB3 ALA 17 0.384 -2.324 8.276 115 H ALA 18 H ALA 18 -0.871 -2.202 4.872 116 HA ALA 18 HA ALA 18 1.231 -4.206 4.531 117 HB1 ALA 18 HB1 ALA 18 0.339 -5.105 2.428 118 HB2 ALA 18 HB2 ALA 18 -0.778 -5.421 3.779 119 HB3 ALA 18 HB3 ALA 18 -1.137 -4.138 2.610 120 H TYR 19 H TYR 19 2.724 -3.754 2.978 121 HA TYR 19 HA TYR 19 2.679 -1.100 1.628 122 HB2 TYR 19 HB1 TYR 19 5.111 -1.984 3.143 123 HB3 TYR 19 HB2 TYR 19 4.616 -0.357 2.689 124 HD1 TYR 19 HD2 TYR 19 2.914 0.854 4.097 125 HD2 TYR 19 HD1 TYR 19 4.412 -3.035 5.153 126 HE1 TYR 19 HE2 TYR 19 2.109 1.171 6.454 127 HE2 TYR 19 HE1 TYR 19 3.684 -2.724 7.491 128 HH TYR 19 HH TYR 19 2.782 -1.239 8.999 129 H LEU 20 H LEU 20 4.545 -0.835 0.105 130 HA LEU 20 HA LEU 20 5.992 -3.121 -0.784 131 HB2 LEU 20 HB1 LEU 20 4.989 -3.590 -2.866 132 HB3 LEU 20 HB2 LEU 20 3.802 -3.871 -1.607 133 HG LEU 20 HG LEU 20 3.875 -1.371 -3.367 134 HD11 LEU 20 HD11 LEU 20 2.082 -2.465 -4.655 135 HD12 LEU 20 HD12 LEU 20 2.285 -3.948 -3.692 136 HD13 LEU 20 HD13 LEU 20 3.598 -3.375 -4.747 137 HD21 LEU 20 HD21 LEU 20 2.539 -1.057 -1.297 138 HD22 LEU 20 HD22 LEU 20 1.659 -2.562 -1.628 139 HD23 LEU 20 HD23 LEU 20 1.502 -1.161 -2.714 140 H THR 21 H THR 21 7.490 -2.823 -2.265 141 HA THR 21 HA THR 21 8.175 -0.095 -3.136 142 HB THR 21 HB THR 21 9.531 -2.816 -3.303 143 HG1 THR 21 HG1 THR 21 11.020 -1.344 -2.214 144 HG21 THR 21 HG21 THR 21 11.429 -1.583 -4.358 145 HG22 THR 21 HG22 THR 21 10.356 -0.176 -4.610 146 HG23 THR 21 HG23 THR 21 10.059 -1.705 -5.464 147 H LEU 22 H LEU 22 7.437 0.763 -4.924 148 HA LEU 22 HA LEU 22 6.619 -0.921 -7.214 149 HB2 LEU 22 HB1 LEU 22 4.883 -0.116 -5.582 150 HB3 LEU 22 HB2 LEU 22 5.314 1.546 -5.952 151 HG LEU 22 HG LEU 22 4.436 -0.308 -8.187 152 HD11 LEU 22 HD11 LEU 22 2.076 0.252 -7.550 153 HD12 LEU 22 HD12 LEU 22 2.716 1.032 -6.066 154 HD13 LEU 22 HD13 LEU 22 2.925 -0.704 -6.309 155 HD21 LEU 22 HD21 LEU 22 3.376 1.760 -9.054 156 HD22 LEU 22 HD22 LEU 22 5.088 2.071 -8.754 157 HD23 LEU 22 HD23 LEU 22 3.876 2.647 -7.598 158 H GLU 23 H GLU 23 6.874 0.014 -9.281 159 HA GLU 23 HA GLU 23 7.744 2.727 -9.569 160 HB2 GLU 23 HB1 GLU 23 9.860 2.274 -10.717 161 HB3 GLU 23 HB2 GLU 23 9.882 1.852 -8.987 162 HG2 GLU 23 HG1 GLU 23 9.469 -0.569 -9.746 163 HG3 GLU 23 HG2 GLU 23 9.888 -0.014 -11.374 164 H ASN 24 H ASN 24 7.770 3.465 -11.637 165 HA ASN 24 HA ASN 24 6.180 1.873 -13.594 166 HB2 ASN 24 HB1 ASN 24 5.201 3.949 -12.756 167 HB3 ASN 24 HB2 ASN 24 6.638 4.858 -13.255 168 HD21 ASN 24 HD21 ASN 24 4.414 5.841 -14.251 169 HD22 ASN 24 HD22 ASN 24 4.309 5.459 -15.968 170 HA PRO 25 HA PRO 25 10.252 2.054 -15.692 171 HB2 PRO 25 HB1 PRO 25 10.070 -0.212 -17.180 172 HB3 PRO 25 HB2 PRO 25 10.365 -0.263 -15.415 173 HG2 PRO 25 HG1 PRO 25 7.705 -0.543 -16.855 174 HG3 PRO 25 HG2 PRO 25 8.399 -1.639 -15.609 175 HD2 PRO 25 HD1 PRO 25 6.613 0.331 -14.976 176 HD3 PRO 25 HD2 PRO 25 7.970 -0.085 -13.887 177 H GLY 26 H GLY 26 7.018 2.415 -16.941 178 HA2 GLY 26 HA3 GLY 26 7.772 2.432 -19.760 179 HA3 GLY 26 HA2 GLY 26 6.173 2.753 -19.051 180 H ASP 27 H ASP 27 6.806 4.271 -21.062 181 HA ASP 27 HA ASP 27 7.773 6.901 -20.081 182 HB2 ASP 27 HB1 ASP 27 7.280 5.795 -22.860 183 HB3 ASP 27 HB2 ASP 27 7.846 7.445 -22.499 184 H LEU 28 H LEU 28 5.095 5.487 -19.625 185 HA LEU 28 HA LEU 28 3.241 7.716 -20.321 186 HB2 LEU 28 HB1 LEU 28 2.345 5.013 -19.337 187 HB3 LEU 28 HB2 LEU 28 1.437 6.178 -20.300 188 HG LEU 28 HG LEU 28 3.730 4.463 -21.376 189 HD11 LEU 28 HD11 LEU 28 1.932 3.047 -20.597 190 HD12 LEU 28 HD12 LEU 28 1.978 3.070 -22.367 191 HD13 LEU 28 HD13 LEU 28 0.734 4.007 -21.503 192 HD21 LEU 28 HD21 LEU 28 2.833 5.112 -23.574 193 HD22 LEU 28 HD22 LEU 28 3.315 6.548 -22.656 194 HD23 LEU 28 HD23 LEU 28 1.595 6.122 -22.794 195 HA PRO 29 HA PRO 29 2.998 8.019 -15.797 196 HB2 PRO 29 HB1 PRO 29 0.638 9.327 -15.398 197 HB3 PRO 29 HB2 PRO 29 2.083 10.104 -16.105 198 HG2 PRO 29 HG1 PRO 29 -0.398 9.105 -17.479 199 HG3 PRO 29 HG2 PRO 29 0.626 10.525 -17.902 200 HD2 PRO 29 HD1 PRO 29 0.684 7.918 -19.068 201 HD3 PRO 29 HD2 PRO 29 1.907 9.168 -19.322 202 H LEU 30 H LEU 30 1.991 6.963 -14.010 203 HA LEU 30 HA LEU 30 -0.076 4.893 -14.671 204 HB2 LEU 30 HB1 LEU 30 2.628 4.531 -13.742 205 HB3 LEU 30 HB2 LEU 30 1.482 3.926 -12.536 206 HG LEU 30 HG LEU 30 0.403 2.546 -14.231 207 HD11 LEU 30 HD11 LEU 30 2.504 3.590 -16.144 208 HD12 LEU 30 HD12 LEU 30 0.735 3.725 -16.295 209 HD13 LEU 30 HD13 LEU 30 1.500 2.146 -16.432 210 HD21 LEU 30 HD21 LEU 30 2.129 0.884 -14.556 211 HD22 LEU 30 HD22 LEU 30 2.314 1.617 -12.946 212 HD23 LEU 30 HD23 LEU 30 3.402 2.099 -14.269 213 H ARG 31 H ARG 31 -1.768 5.152 -13.619 214 HA ARG 31 HA ARG 31 -1.874 6.622 -11.001 215 HB2 ARG 31 HB1 ARG 31 -3.016 7.742 -12.865 216 HB3 ARG 31 HB2 ARG 31 -4.026 6.298 -13.100 217 HG2 ARG 31 HG1 ARG 31 -5.451 6.940 -11.485 218 HG3 ARG 31 HG2 ARG 31 -4.146 7.265 -10.328 219 HD2 ARG 31 HD1 ARG 31 -5.501 9.268 -10.762 220 HD3 ARG 31 HD2 ARG 31 -3.809 9.476 -11.228 221 HE ARG 31 HE ARG 31 -5.971 8.813 -13.192 222 HH11 ARG 31 HH12 ARG 31 -3.353 11.102 -12.272 223 HH12 ARG 31 HH11 ARG 31 -3.250 11.729 -13.850 224 HH21 ARG 31 HH22 ARG 31 -5.811 9.796 -15.220 225 HH22 ARG 31 HH21 ARG 31 -4.759 11.174 -15.409 226 H LEU 32 H LEU 32 -1.996 5.290 -9.377 227 HA LEU 32 HA LEU 32 -2.968 2.493 -9.652 228 HB2 LEU 32 HB1 LEU 32 -0.706 2.800 -8.891 229 HB3 LEU 32 HB2 LEU 32 -1.212 4.008 -7.690 230 HG LEU 32 HG LEU 32 -2.496 2.096 -6.531 231 HD11 LEU 32 HD11 LEU 32 -0.673 0.392 -8.295 232 HD12 LEU 32 HD12 LEU 32 -2.434 0.483 -8.464 233 HD13 LEU 32 HD13 LEU 32 -1.728 -0.181 -6.985 234 HD21 LEU 32 HD21 LEU 32 -0.399 1.256 -5.468 235 HD22 LEU 32 HD22 LEU 32 -0.403 3.019 -5.661 236 HD23 LEU 32 HD23 LEU 32 0.535 2.012 -6.783 237 H VAL 33 H VAL 33 -4.979 2.060 -8.896 238 HA VAL 33 HA VAL 33 -6.351 4.193 -7.289 239 HB VAL 33 HB VAL 33 -8.425 3.622 -8.452 240 HG11 VAL 33 HG11 VAL 33 -6.204 4.194 -10.463 241 HG12 VAL 33 HG12 VAL 33 -7.923 4.599 -10.617 242 HG13 VAL 33 HG13 VAL 33 -6.936 5.395 -9.386 243 HG21 VAL 33 HG21 VAL 33 -6.790 1.798 -10.268 244 HG22 VAL 33 HG22 VAL 33 -7.936 1.224 -9.032 245 HG23 VAL 33 HG23 VAL 33 -8.507 2.179 -10.410 246 H GLY 34 H GLY 34 -5.351 0.934 -7.152 247 HA2 GLY 34 HA3 GLY 34 -6.102 0.643 -4.503 248 HA3 GLY 34 HA2 GLY 34 -7.347 -0.195 -5.457 249 H ALA 35 H ALA 35 -6.514 -2.102 -4.312 250 HA ALA 35 HA ALA 35 -4.875 -3.579 -6.163 251 HB1 ALA 35 HB1 ALA 35 -3.950 -3.439 -3.264 252 HB2 ALA 35 HB2 ALA 35 -3.309 -4.497 -4.543 253 HB3 ALA 35 HB3 ALA 35 -3.097 -2.755 -4.674 254 H ARG 36 H ARG 36 -4.878 -5.949 -5.547 255 HA ARG 36 HA ARG 36 -7.134 -6.843 -3.823 256 HB2 ARG 36 HB1 ARG 36 -8.287 -6.667 -5.843 257 HB3 ARG 36 HB2 ARG 36 -6.850 -6.995 -6.830 258 HG2 ARG 36 HG1 ARG 36 -6.964 -9.383 -5.941 259 HG3 ARG 36 HG2 ARG 36 -8.567 -8.983 -5.314 260 HD2 ARG 36 HD1 ARG 36 -9.451 -9.386 -7.362 261 HD3 ARG 36 HD2 ARG 36 -8.419 -8.134 -8.083 262 HE ARG 36 HE ARG 36 -6.958 -9.772 -8.863 263 HH11 ARG 36 HH12 ARG 36 -9.053 -11.362 -6.498 264 HH12 ARG 36 HH11 ARG 36 -8.243 -12.891 -6.727 265 HH21 ARG 36 HH22 ARG 36 -5.935 -11.584 -8.998 266 HH22 ARG 36 HH21 ARG 36 -6.457 -13.036 -8.169 267 H THR 37 H THR 37 -6.498 -8.658 -2.737 268 HA THR 37 HA THR 37 -4.086 -10.197 -3.661 269 HB THR 37 HB THR 37 -3.309 -8.813 -1.974 270 HG1 THR 37 HG1 THR 37 -2.502 -10.775 -1.889 271 HG21 THR 37 HG21 THR 37 -5.477 -9.831 -0.124 272 HG22 THR 37 HG22 THR 37 -5.345 -8.172 -0.751 273 HG23 THR 37 HG23 THR 37 -4.105 -8.795 0.332 274 HA PRO 38 HA PRO 38 -6.962 -13.648 -2.429 275 HB2 PRO 38 HB1 PRO 38 -5.154 -15.548 -1.603 276 HB3 PRO 38 HB2 PRO 38 -5.548 -15.199 -3.315 277 HG2 PRO 38 HG1 PRO 38 -3.211 -14.132 -1.727 278 HG3 PRO 38 HG2 PRO 38 -3.186 -14.926 -3.344 279 HD2 PRO 38 HD1 PRO 38 -3.214 -12.229 -3.133 280 HD3 PRO 38 HD2 PRO 38 -4.206 -13.038 -4.375 281 H VAL 39 H VAL 39 -4.385 -12.259 -0.416 282 HA VAL 39 HA VAL 39 -5.361 -13.629 1.958 283 HB VAL 39 HB VAL 39 -3.588 -12.863 3.173 284 HG11 VAL 39 HG11 VAL 39 -1.630 -13.315 1.862 285 HG12 VAL 39 HG12 VAL 39 -2.948 -14.267 1.154 286 HG13 VAL 39 HG13 VAL 39 -2.410 -12.781 0.364 287 HG21 VAL 39 HG21 VAL 39 -3.731 -10.390 2.883 288 HG22 VAL 39 HG22 VAL 39 -2.087 -11.000 2.709 289 HG23 VAL 39 HG23 VAL 39 -3.009 -10.554 1.275 290 H ALA 40 H ALA 40 -7.204 -11.560 0.630 291 HA ALA 40 HA ALA 40 -7.989 -10.096 3.102 292 HB1 ALA 40 HB1 ALA 40 -7.761 -8.824 0.347 293 HB2 ALA 40 HB2 ALA 40 -8.193 -8.019 1.871 294 HB3 ALA 40 HB3 ALA 40 -6.554 -8.646 1.633 295 H GLU 41 H GLU 41 -10.100 -9.511 3.272 296 HA GLU 41 HA GLU 41 -12.129 -10.644 1.423 297 HB2 GLU 41 HB1 GLU 41 -12.123 -10.743 4.013 298 HB3 GLU 41 HB2 GLU 41 -12.586 -9.033 3.953 299 HG2 GLU 41 HG1 GLU 41 -14.625 -10.218 4.132 300 HG3 GLU 41 HG2 GLU 41 -14.501 -9.753 2.428 301 H ARG 42 H ARG 42 -11.195 -7.456 2.774 302 HA ARG 42 HA ARG 42 -11.008 -6.520 0.107 303 HB2 ARG 42 HB1 ARG 42 -12.297 -4.563 0.063 304 HB3 ARG 42 HB2 ARG 42 -13.378 -5.906 0.388 305 HG2 ARG 42 HG1 ARG 42 -12.344 -3.902 2.436 306 HG3 ARG 42 HG2 ARG 42 -13.930 -3.825 1.629 307 HD2 ARG 42 HD1 ARG 42 -12.979 -5.974 3.549 308 HD3 ARG 42 HD2 ARG 42 -14.153 -4.686 3.895 309 HE ARG 42 HE ARG 42 -15.116 -6.082 1.666 310 HH11 ARG 42 HH12 ARG 42 -14.243 -7.062 4.933 311 HH12 ARG 42 HH11 ARG 42 -15.512 -8.240 5.036 312 HH21 ARG 42 HH22 ARG 42 -16.638 -7.708 1.785 313 HH22 ARG 42 HH21 ARG 42 -16.833 -8.641 3.235 314 H VAL 43 H VAL 43 -10.244 -4.043 0.214 315 HA VAL 43 HA VAL 43 -8.392 -3.519 2.396 316 HB VAL 43 HB VAL 43 -7.251 -5.279 1.129 317 HG11 VAL 43 HG11 VAL 43 -7.355 -3.483 -1.325 318 HG12 VAL 43 HG12 VAL 43 -6.513 -5.035 -1.176 319 HG13 VAL 43 HG13 VAL 43 -8.276 -4.988 -1.101 320 HG21 VAL 43 HG21 VAL 43 -5.877 -3.486 2.126 321 HG22 VAL 43 HG22 VAL 43 -5.127 -4.194 0.691 322 HG23 VAL 43 HG23 VAL 43 -5.910 -2.605 0.583 323 H GLU 44 H GLU 44 -7.651 -1.360 2.356 324 HA GLU 44 HA GLU 44 -8.779 0.492 0.263 325 HB2 GLU 44 HB1 GLU 44 -8.414 0.862 3.264 326 HB3 GLU 44 HB2 GLU 44 -8.979 2.109 2.130 327 HG2 GLU 44 HG1 GLU 44 -11.024 0.850 1.719 328 HG3 GLU 44 HG2 GLU 44 -10.443 -0.487 2.741 329 H LEU 45 H LEU 45 -7.172 1.970 -0.628 330 HA LEU 45 HA LEU 45 -4.572 2.089 0.697 331 HB2 LEU 45 HB1 LEU 45 -4.985 1.883 -1.815 332 HB3 LEU 45 HB2 LEU 45 -5.501 3.568 -1.800 333 HG LEU 45 HG LEU 45 -2.852 2.806 -0.522 334 HD11 LEU 45 HD11 LEU 45 -3.331 3.165 -3.498 335 HD12 LEU 45 HD12 LEU 45 -2.817 1.684 -2.678 336 HD13 LEU 45 HD13 LEU 45 -1.729 3.087 -2.689 337 HD21 LEU 45 HD21 LEU 45 -3.623 5.184 -0.440 338 HD22 LEU 45 HD22 LEU 45 -3.707 5.187 -2.221 339 HD23 LEU 45 HD23 LEU 45 -2.144 4.995 -1.386 340 H HIS 46 H HIS 46 -4.038 3.474 2.111 341 HA HIS 46 HA HIS 46 -5.414 6.085 2.401 342 HB2 HIS 46 HB1 HIS 46 -4.020 4.257 4.373 343 HB3 HIS 46 HB2 HIS 46 -4.433 5.929 4.768 344 HD2 HIS 46 HD2 HIS 46 -7.105 3.621 3.065 345 HE1 HIS 46 HE1 HIS 46 -8.310 4.258 7.052 346 HE2 HIS 46 HE2 HIS 46 -8.932 3.145 4.841 347 H GLU 47 H GLU 47 -4.281 7.850 2.984 348 HA GLU 47 HA GLU 47 -1.390 8.069 2.294 349 HB2 GLU 47 HB1 GLU 47 -1.696 10.474 2.569 350 HB3 GLU 47 HB2 GLU 47 -2.812 9.844 1.349 351 HG2 GLU 47 HG1 GLU 47 -4.682 10.134 2.731 352 HG3 GLU 47 HG2 GLU 47 -3.729 10.203 4.223 353 H THR 48 H THR 48 -0.066 9.353 3.878 354 HA THR 48 HA THR 48 -1.049 9.511 6.654 355 HB THR 48 HB THR 48 1.567 8.127 5.940 356 HG1 THR 48 HG1 THR 48 -0.955 7.344 6.118 357 HG21 THR 48 HG21 THR 48 1.542 7.620 8.428 358 HG22 THR 48 HG22 THR 48 0.201 8.770 8.600 359 HG23 THR 48 HG23 THR 48 1.796 9.326 8.046 360 H PHE 49 H PHE 49 -0.489 11.383 7.503 361 HA PHE 49 HA PHE 49 1.160 13.169 5.763 362 HB2 PHE 49 HB1 PHE 49 -0.787 14.619 5.670 363 HB3 PHE 49 HB2 PHE 49 -1.161 13.017 5.026 364 HD1 PHE 49 HD2 PHE 49 -1.514 15.053 8.234 365 HD2 PHE 49 HD1 PHE 49 -3.139 11.956 5.722 366 HE1 PHE 49 HE2 PHE 49 -3.588 15.092 9.541 367 HE2 PHE 49 HE1 PHE 49 -5.250 12.043 6.992 368 HZ PHE 49 HZ PHE 49 -5.483 13.621 8.904 369 H MET 50 H MET 50 1.180 15.415 6.497 370 HA MET 50 HA MET 50 0.721 15.912 9.386 371 HB2 MET 50 HB1 MET 50 2.939 17.150 7.706 372 HB3 MET 50 HB2 MET 50 2.513 17.575 9.388 373 HG2 MET 50 HG1 MET 50 4.379 16.235 9.622 374 HG3 MET 50 HG2 MET 50 3.023 15.152 9.969 375 HE1 MET 50 HE1 MET 50 4.599 16.337 6.470 376 HE2 MET 50 HE2 MET 50 5.990 16.044 7.543 377 HE3 MET 50 HE3 MET 50 5.677 14.963 6.164 378 H ARG 51 H ARG 51 -0.508 17.758 9.721 379 HA ARG 51 HA ARG 51 -0.630 19.927 7.762 380 HB2 ARG 51 HB1 ARG 51 -3.096 18.313 8.486 381 HB3 ARG 51 HB2 ARG 51 -3.195 20.044 8.030 382 HG2 ARG 51 HG1 ARG 51 -3.530 19.252 5.975 383 HG3 ARG 51 HG2 ARG 51 -1.770 19.139 5.929 384 HD2 ARG 51 HD1 ARG 51 -2.172 16.738 6.921 385 HD3 ARG 51 HD2 ARG 51 -3.840 16.970 6.392 386 HE ARG 51 HE ARG 51 -1.593 17.320 4.455 387 HH11 ARG 51 HH12 ARG 51 -4.304 15.264 5.484 388 HH12 ARG 51 HH11 ARG 51 -4.119 14.200 4.124 389 HH21 ARG 51 HH22 ARG 51 -1.435 15.802 2.701 390 HH22 ARG 51 HH21 ARG 51 -2.497 14.405 2.744 391 H GLU 52 H GLU 52 -1.815 21.833 8.725 392 HA GLU 52 HA GLU 52 -1.246 22.202 11.571 393 HB2 GLU 52 HB1 GLU 52 -1.618 23.888 9.309 394 HB3 GLU 52 HB2 GLU 52 -2.960 24.250 10.436 395 HG2 GLU 52 HG1 GLU 52 -1.274 25.718 11.047 396 HG3 GLU 52 HG2 GLU 52 -1.282 24.432 12.267 397 H VAL 53 H VAL 53 -2.652 21.902 13.195 398 HA VAL 53 HA VAL 53 -5.583 21.818 12.542 399 HB VAL 53 HB VAL 53 -4.454 19.614 13.065 400 HG11 VAL 53 HG11 VAL 53 -3.196 20.490 15.023 401 HG12 VAL 53 HG12 VAL 53 -4.734 20.618 15.906 402 HG13 VAL 53 HG13 VAL 53 -4.151 19.027 15.374 403 HG21 VAL 53 HG21 VAL 53 -6.400 18.710 14.173 404 HG22 VAL 53 HG22 VAL 53 -6.923 20.317 14.700 405 HG23 VAL 53 HG23 VAL 53 -6.910 19.905 12.969 406 H GLU 54 H GLU 54 -3.329 23.551 14.237 407 HA GLU 54 HA GLU 54 -5.221 25.315 15.466 408 HB2 GLU 54 HB1 GLU 54 -4.466 25.049 17.814 409 HB3 GLU 54 HB2 GLU 54 -5.417 23.675 17.218 410 HG2 GLU 54 HG1 GLU 54 -3.599 22.263 17.124 411 HG3 GLU 54 HG2 GLU 54 -2.445 23.594 16.914 412 H GLY 55 H GLY 55 -3.035 25.456 13.547 413 HA2 GLY 55 HA3 GLY 55 -1.125 26.681 13.065 414 HA3 GLY 55 HA2 GLY 55 -1.154 27.353 14.711 415 H LYS 56 H LYS 56 -1.221 24.368 15.727 416 HA LYS 56 HA LYS 56 1.605 23.650 15.435 417 HB2 LYS 56 HB1 LYS 56 -0.711 22.261 16.823 418 HB3 LYS 56 HB2 LYS 56 1.002 21.788 16.852 419 HG2 LYS 56 HG1 LYS 56 1.413 24.103 17.946 420 HG3 LYS 56 HG2 LYS 56 -0.341 24.132 18.214 421 HD2 LYS 56 HD1 LYS 56 -0.032 21.774 19.250 422 HD3 LYS 56 HD2 LYS 56 1.715 22.132 19.234 423 HE2 LYS 56 HE1 LYS 56 1.065 22.656 21.414 424 HE3 LYS 56 HE2 LYS 56 1.097 24.234 20.625 425 HZ1 LYS 56 HZ1 LYS 56 -1.324 24.149 20.461 426 HZ2 LYS 56 HZ2 LYS 56 -0.981 23.697 22.009 427 HZ3 LYS 56 HZ3 LYS 56 -1.397 22.638 20.797 428 H LYS 57 H LYS 57 2.316 21.898 14.308 429 HA LYS 57 HA LYS 57 0.576 20.860 12.178 430 HB2 LYS 57 HB1 LYS 57 2.975 19.735 11.680 431 HB3 LYS 57 HB2 LYS 57 2.377 21.221 10.949 432 HG2 LYS 57 HG1 LYS 57 3.998 21.453 13.465 433 HG3 LYS 57 HG2 LYS 57 4.814 20.926 11.947 434 HD2 LYS 57 HD1 LYS 57 5.186 23.193 11.913 435 HD3 LYS 57 HD2 LYS 57 3.759 23.018 10.875 436 HE2 LYS 57 HE1 LYS 57 2.395 23.545 13.000 437 HE3 LYS 57 HE2 LYS 57 3.901 24.052 13.745 438 HZ1 LYS 57 HZ1 LYS 57 2.613 25.850 12.721 439 HZ2 LYS 57 HZ2 LYS 57 2.653 25.147 11.282 440 HZ3 LYS 57 HZ3 LYS 57 4.072 25.727 11.916 441 H VAL 58 H VAL 58 -0.258 18.872 12.233 442 HA VAL 58 HA VAL 58 0.682 16.898 14.274 443 HB VAL 58 HB VAL 58 -2.138 17.907 13.816 444 HG11 VAL 58 HG11 VAL 58 -2.790 16.381 15.702 445 HG12 VAL 58 HG12 VAL 58 -2.316 15.516 14.244 446 HG13 VAL 58 HG13 VAL 58 -1.180 15.631 15.611 447 HG21 VAL 58 HG21 VAL 58 -1.962 18.507 16.269 448 HG22 VAL 58 HG22 VAL 58 -0.251 18.055 16.216 449 HG23 VAL 58 HG23 VAL 58 -0.853 19.418 15.247 450 H MET 59 H MET 59 0.364 14.780 13.826 451 HA MET 59 HA MET 59 0.317 14.066 11.020 452 HB2 MET 59 HB1 MET 59 0.955 12.632 13.587 453 HB3 MET 59 HB2 MET 59 0.750 11.721 12.063 454 HG2 MET 59 HG1 MET 59 3.061 12.139 12.363 455 HG3 MET 59 HG2 MET 59 2.481 13.090 10.996 456 HE1 MET 59 HE1 MET 59 5.436 15.174 12.334 457 HE2 MET 59 HE2 MET 59 5.336 13.415 12.594 458 HE3 MET 59 HE3 MET 59 4.779 14.114 11.057 459 H GLY 60 H GLY 60 -0.905 12.274 10.107 460 HA2 GLY 60 HA3 GLY 60 -2.941 10.902 11.529 461 HA3 GLY 60 HA2 GLY 60 -3.693 12.209 10.587 462 H MET 61 H MET 61 -4.653 9.960 9.885 463 HA MET 61 HA MET 61 -3.429 9.242 7.264 464 HB2 MET 61 HB1 MET 61 -4.759 7.342 9.237 465 HB3 MET 61 HB2 MET 61 -4.260 6.937 7.568 466 HG2 MET 61 HG1 MET 61 -2.594 6.028 8.836 467 HG3 MET 61 HG2 MET 61 -1.890 7.544 8.299 468 HE1 MET 61 HE1 MET 61 -1.003 5.455 10.694 469 HE2 MET 61 HE2 MET 61 -0.063 6.779 9.977 470 HE3 MET 61 HE3 MET 61 -0.263 6.688 11.745 471 H ARG 62 H ARG 62 -4.992 8.549 5.697 472 HA ARG 62 HA ARG 62 -7.811 8.383 6.279 473 HB2 ARG 62 HB1 ARG 62 -6.742 10.831 4.878 474 HB3 ARG 62 HB2 ARG 62 -8.232 10.076 4.246 475 HG2 ARG 62 HG1 ARG 62 -9.089 10.235 6.689 476 HG3 ARG 62 HG2 ARG 62 -7.773 11.416 6.908 477 HD2 ARG 62 HD1 ARG 62 -9.744 12.652 6.369 478 HD3 ARG 62 HD2 ARG 62 -8.675 12.698 4.951 479 HE ARG 62 HE ARG 62 -10.237 11.512 3.736 480 HH11 ARG 62 HH12 ARG 62 -11.174 11.166 7.113 481 HH12 ARG 62 HH11 ARG 62 -12.800 10.668 6.732 482 HH21 ARG 62 HH22 ARG 62 -12.308 10.801 3.284 483 HH22 ARG 62 HH21 ARG 62 -13.391 10.347 4.566 484 HA PRO 63 HA PRO 63 -7.324 6.003 2.437 485 HB2 PRO 63 HB1 PRO 63 -10.035 5.946 1.730 486 HB3 PRO 63 HB2 PRO 63 -9.095 4.667 2.520 487 HG2 PRO 63 HG1 PRO 63 -11.104 6.372 3.674 488 HG3 PRO 63 HG2 PRO 63 -10.210 5.024 4.457 489 HD2 PRO 63 HD1 PRO 63 -9.883 7.923 4.759 490 HD3 PRO 63 HD2 PRO 63 -9.119 6.617 5.690 491 H VAL 64 H VAL 64 -7.336 6.467 0.306 492 HA VAL 64 HA VAL 64 -8.236 9.191 -0.564 493 HB VAL 64 HB VAL 64 -6.155 9.059 -2.142 494 HG11 VAL 64 HG11 VAL 64 -4.831 10.334 -0.524 495 HG12 VAL 64 HG12 VAL 64 -6.539 10.798 -0.502 496 HG13 VAL 64 HG13 VAL 64 -5.889 9.765 0.795 497 HG21 VAL 64 HG21 VAL 64 -4.136 8.067 -1.219 498 HG22 VAL 64 HG22 VAL 64 -5.034 7.395 0.149 499 HG23 VAL 64 HG23 VAL 64 -5.357 6.805 -1.499 500 HA PRO 65 HA PRO 65 -10.031 7.046 -3.962 501 HB2 PRO 65 HB1 PRO 65 -10.020 8.867 -5.990 502 HB3 PRO 65 HB2 PRO 65 -11.032 9.060 -4.526 503 HG2 PRO 65 HG1 PRO 65 -8.307 10.280 -5.070 504 HG3 PRO 65 HG2 PRO 65 -9.799 11.114 -4.504 505 HD2 PRO 65 HD1 PRO 65 -7.873 10.297 -2.756 506 HD3 PRO 65 HD2 PRO 65 -9.609 10.163 -2.344 507 H PHE 66 H PHE 66 -6.727 8.330 -4.345 508 HA PHE 66 HA PHE 66 -5.837 6.006 -5.688 509 HB2 PHE 66 HB1 PHE 66 -5.222 6.903 -7.861 510 HB3 PHE 66 HB2 PHE 66 -6.970 6.862 -7.659 511 HD1 PHE 66 HD1 PHE 66 -3.995 9.063 -7.942 512 HD2 PHE 66 HD2 PHE 66 -8.290 8.893 -7.665 513 HE1 PHE 66 HE1 PHE 66 -4.129 11.407 -8.712 514 HE2 PHE 66 HE2 PHE 66 -8.426 11.256 -8.408 515 HZ PHE 66 HZ PHE 66 -6.343 12.519 -8.940 516 H LEU 67 H LEU 67 -3.661 6.133 -6.413 517 HA LEU 67 HA LEU 67 -2.026 8.478 -5.625 518 HB2 LEU 67 HB1 LEU 67 -1.525 5.525 -5.276 519 HB3 LEU 67 HB2 LEU 67 -0.158 6.491 -5.876 520 HG LEU 67 HG LEU 67 -1.582 6.822 -3.216 521 HD11 LEU 67 HD11 LEU 67 -0.021 4.896 -3.447 522 HD12 LEU 67 HD12 LEU 67 0.683 6.137 -2.398 523 HD13 LEU 67 HD13 LEU 67 1.235 5.990 -4.077 524 HD21 LEU 67 HD21 LEU 67 0.631 8.488 -4.523 525 HD22 LEU 67 HD22 LEU 67 0.305 8.490 -2.783 526 HD23 LEU 67 HD23 LEU 67 -0.930 9.070 -3.892 527 H GLU 68 H GLU 68 0.003 8.460 -7.112 528 HA GLU 68 HA GLU 68 -0.194 6.976 -9.506 529 HB2 GLU 68 HB1 GLU 68 -0.509 8.521 -11.184 530 HB3 GLU 68 HB2 GLU 68 -1.822 8.834 -10.049 531 HG2 GLU 68 HG1 GLU 68 -0.521 10.813 -9.194 532 HG3 GLU 68 HG2 GLU 68 0.713 10.485 -10.434 533 H VAL 69 H VAL 69 1.501 7.478 -11.008 534 HA VAL 69 HA VAL 69 4.006 8.371 -9.701 535 HB VAL 69 HB VAL 69 3.743 5.717 -11.196 536 HG11 VAL 69 HG11 VAL 69 5.823 5.159 -10.005 537 HG12 VAL 69 HG12 VAL 69 6.019 6.618 -10.981 538 HG13 VAL 69 HG13 VAL 69 5.821 6.753 -9.220 539 HG21 VAL 69 HG21 VAL 69 2.273 5.385 -9.311 540 HG22 VAL 69 HG22 VAL 69 3.792 4.555 -8.990 541 HG23 VAL 69 HG23 VAL 69 3.456 6.110 -8.197 542 HA PRO 70 HA PRO 70 4.448 9.852 -13.949 543 HB2 PRO 70 HB1 PRO 70 6.982 10.864 -13.867 544 HB3 PRO 70 HB2 PRO 70 5.595 11.660 -13.064 545 HG2 PRO 70 HG1 PRO 70 7.643 9.790 -11.826 546 HG3 PRO 70 HG2 PRO 70 7.099 11.392 -11.212 547 HD2 PRO 70 HD1 PRO 70 6.048 9.040 -10.287 548 HD3 PRO 70 HD2 PRO 70 5.036 10.500 -10.484 549 HA PRO 71 HA PRO 71 6.703 6.605 -16.090 550 HB2 PRO 71 HB1 PRO 71 8.023 8.050 -18.085 551 HB3 PRO 71 HB2 PRO 71 6.355 7.414 -18.142 552 HG2 PRO 71 HG1 PRO 71 7.283 10.199 -17.617 553 HG3 PRO 71 HG2 PRO 71 5.763 9.634 -18.415 554 HD2 PRO 71 HD1 PRO 71 5.929 10.569 -15.810 555 HD3 PRO 71 HD2 PRO 71 4.671 9.457 -16.390 556 H LYS 72 H LYS 72 8.645 5.618 -15.858 557 HA LYS 72 HA LYS 72 10.705 5.130 -15.063 558 HB2 LYS 72 HB1 LYS 72 11.406 8.048 -15.483 559 HB3 LYS 72 HB2 LYS 72 12.547 6.703 -15.317 560 HG2 LYS 72 HG1 LYS 72 10.495 6.858 -17.557 561 HG3 LYS 72 HG2 LYS 72 12.120 7.586 -17.638 562 HD2 LYS 72 HD1 LYS 72 13.159 5.402 -17.391 563 HD3 LYS 72 HD2 LYS 72 11.596 4.617 -17.119 564 HE2 LYS 72 HE1 LYS 72 12.178 6.168 -19.664 565 HE3 LYS 72 HE2 LYS 72 12.669 4.469 -19.489 566 HZ1 LYS 72 HZ1 LYS 72 10.379 3.865 -19.182 567 HZ2 LYS 72 HZ2 LYS 72 10.472 4.805 -20.544 568 HZ3 LYS 72 HZ3 LYS 72 9.894 5.433 -19.169 569 H GLY 73 H GLY 73 8.585 6.733 -13.403 570 HA2 GLY 73 HA3 GLY 73 9.972 7.690 -11.074 571 HA3 GLY 73 HA2 GLY 73 8.215 7.523 -11.292 572 H ARG 74 H ARG 74 10.769 6.588 -9.667 573 HA ARG 74 HA ARG 74 9.766 3.995 -8.686 574 HB2 ARG 74 HB1 ARG 74 12.140 4.144 -8.915 575 HB3 ARG 74 HB2 ARG 74 12.182 5.739 -8.114 576 HG2 ARG 74 HG1 ARG 74 13.178 4.188 -6.660 577 HG3 ARG 74 HG2 ARG 74 11.629 4.627 -5.951 578 HD2 ARG 74 HD1 ARG 74 10.660 2.491 -6.813 579 HD3 ARG 74 HD2 ARG 74 12.236 2.121 -7.558 580 HE ARG 74 HE ARG 74 12.041 2.656 -4.628 581 HH11 ARG 74 HH12 ARG 74 12.533 0.175 -7.153 582 HH12 ARG 74 HH11 ARG 74 13.425 -0.854 -6.072 583 HH21 ARG 74 HH22 ARG 74 13.166 1.339 -3.332 584 HH22 ARG 74 HH21 ARG 74 13.612 -0.280 -3.816 585 H VAL 75 H VAL 75 8.694 3.681 -6.767 586 HA VAL 75 HA VAL 75 8.672 5.726 -4.678 587 HB VAL 75 HB VAL 75 6.159 5.709 -4.470 588 HG11 VAL 75 HG11 VAL 75 7.431 7.699 -5.300 589 HG12 VAL 75 HG12 VAL 75 7.074 7.168 -6.965 590 HG13 VAL 75 HG13 VAL 75 5.756 7.591 -5.866 591 HG21 VAL 75 HG21 VAL 75 4.810 5.403 -6.505 592 HG22 VAL 75 HG22 VAL 75 6.239 4.796 -7.378 593 HG23 VAL 75 HG23 VAL 75 5.562 3.899 -6.002 594 H GLU 76 H GLU 76 8.961 4.705 -2.881 595 HA GLU 76 HA GLU 76 7.871 2.017 -2.353 596 HB2 GLU 76 HB1 GLU 76 9.680 3.903 -0.827 597 HB3 GLU 76 HB2 GLU 76 8.979 2.415 -0.103 598 HG2 GLU 76 HG1 GLU 76 10.863 1.467 -0.837 599 HG3 GLU 76 HG2 GLU 76 9.972 1.350 -2.358 600 H LEU 77 H LEU 77 5.923 1.648 -1.592 601 HA LEU 77 HA LEU 77 4.469 3.593 0.079 602 HB2 LEU 77 HB1 LEU 77 3.884 0.773 -0.837 603 HB3 LEU 77 HB2 LEU 77 2.987 1.521 0.513 604 HG LEU 77 HG LEU 77 2.592 3.477 -1.193 605 HD11 LEU 77 HD11 LEU 77 4.027 2.647 -3.024 606 HD12 LEU 77 HD12 LEU 77 2.338 2.701 -3.533 607 HD13 LEU 77 HD13 LEU 77 3.082 1.146 -3.104 608 HD21 LEU 77 HD21 LEU 77 1.099 0.837 -1.432 609 HD22 LEU 77 HD22 LEU 77 0.503 2.431 -1.932 610 HD23 LEU 77 HD23 LEU 77 0.809 2.103 -0.223 611 H LYS 78 H LYS 78 4.035 3.348 2.229 612 HA LYS 78 HA LYS 78 5.771 1.880 4.023 613 HB2 LYS 78 HB1 LYS 78 7.172 3.947 4.522 614 HB3 LYS 78 HB2 LYS 78 7.491 3.094 2.987 615 HG2 LYS 78 HG1 LYS 78 5.887 4.925 1.975 616 HG3 LYS 78 HG2 LYS 78 6.268 5.838 3.431 617 HD2 LYS 78 HD1 LYS 78 8.408 4.619 1.658 618 HD3 LYS 78 HD2 LYS 78 7.734 6.221 1.317 619 HE2 LYS 78 HE1 LYS 78 8.972 5.543 4.010 620 HE3 LYS 78 HE2 LYS 78 9.959 6.048 2.607 621 HZ1 LYS 78 HZ1 LYS 78 9.380 7.968 3.912 622 HZ2 LYS 78 HZ2 LYS 78 7.780 7.599 3.890 623 HZ3 LYS 78 HZ3 LYS 78 8.537 8.035 2.500 624 HA PRO 79 HA PRO 79 2.750 3.410 6.882 625 HB2 PRO 79 HB1 PRO 79 4.154 3.587 9.263 626 HB3 PRO 79 HB2 PRO 79 3.547 2.068 8.538 627 HG2 PRO 79 HG1 PRO 79 6.325 3.240 8.366 628 HG3 PRO 79 HG2 PRO 79 5.850 1.531 8.673 629 HD2 PRO 79 HD1 PRO 79 6.629 2.390 6.206 630 HD3 PRO 79 HD2 PRO 79 5.329 1.181 6.401 631 H GLY 80 H GLY 80 5.910 5.156 7.349 632 HA2 GLY 80 HA3 GLY 80 4.531 7.740 7.578 633 HA3 GLY 80 HA2 GLY 80 6.285 7.467 7.476 634 H GLY 81 H GLY 81 3.302 7.214 5.521 635 HA2 GLY 81 HA3 GLY 81 4.033 8.785 3.323 636 HA3 GLY 81 HA2 GLY 81 4.594 7.135 2.969 637 H TYR 82 H TYR 82 3.098 5.491 2.645 638 HA TYR 82 HA TYR 82 0.239 6.078 2.292 639 HB2 TYR 82 HB1 TYR 82 1.992 5.371 -0.091 640 HB3 TYR 82 HB2 TYR 82 0.229 5.544 -0.087 641 HD1 TYR 82 HD1 TYR 82 -0.815 7.770 0.044 642 HD2 TYR 82 HD2 TYR 82 3.465 7.271 0.005 643 HE1 TYR 82 HE1 TYR 82 -0.542 10.227 -0.165 644 HE2 TYR 82 HE2 TYR 82 3.779 9.700 -0.128 645 HH TYR 82 HH TYR 82 0.951 11.950 -0.134 646 H HIS 83 H HIS 83 -0.961 4.141 2.320 647 HA HIS 83 HA HIS 83 0.476 1.578 2.227 648 HB2 HIS 83 HB1 HIS 83 0.191 1.076 4.577 649 HB3 HIS 83 HB2 HIS 83 1.175 2.533 4.422 650 HD1 HIS 83 HD1 HIS 83 -0.014 4.872 5.348 651 HD2 HIS 83 HD2 HIS 83 -2.213 1.295 5.712 652 HE1 HIS 83 HE1 HIS 83 -1.998 5.379 6.833 653 H PHE 84 H PHE 84 -0.927 -0.232 2.726 654 HA PHE 84 HA PHE 84 -3.781 0.310 2.123 655 HB2 PHE 84 HB1 PHE 84 -2.050 -2.170 2.046 656 HB3 PHE 84 HB2 PHE 84 -3.813 -2.203 1.878 657 HD1 PHE 84 HD2 PHE 84 -4.706 -0.388 0.011 658 HD2 PHE 84 HD1 PHE 84 -0.816 -2.258 0.065 659 HE1 PHE 84 HE2 PHE 84 -4.559 -0.159 -2.443 660 HE2 PHE 84 HE1 PHE 84 -0.638 -1.905 -2.394 661 HZ PHE 84 HZ PHE 84 -2.486 -0.798 -3.630 662 H MET 85 H MET 85 -5.289 0.038 3.622 663 HA MET 85 HA MET 85 -4.731 -1.374 6.208 664 HB2 MET 85 HB1 MET 85 -7.010 0.395 5.259 665 HB3 MET 85 HB2 MET 85 -7.067 -0.523 6.768 666 HG2 MET 85 HG1 MET 85 -4.808 1.402 6.230 667 HG3 MET 85 HG2 MET 85 -6.409 1.984 6.772 668 HE1 MET 85 HE1 MET 85 -3.091 0.386 7.623 669 HE2 MET 85 HE2 MET 85 -3.219 -0.054 9.338 670 HE3 MET 85 HE3 MET 85 -3.962 -1.098 8.118 671 H LEU 86 H LEU 86 -5.372 -3.467 6.340 672 HA LEU 86 HA LEU 86 -7.092 -4.641 4.227 673 HB2 LEU 86 HB1 LEU 86 -5.577 -5.709 6.623 674 HB3 LEU 86 HB2 LEU 86 -6.749 -6.713 5.743 675 HG LEU 86 HG LEU 86 -4.314 -7.086 5.214 676 HD11 LEU 86 HD11 LEU 86 -6.159 -6.348 2.917 677 HD12 LEU 86 HD12 LEU 86 -6.152 -7.882 3.819 678 HD13 LEU 86 HD13 LEU 86 -4.753 -7.432 2.831 679 HD21 LEU 86 HD21 LEU 86 -4.495 -4.503 3.607 680 HD22 LEU 86 HD22 LEU 86 -3.203 -5.707 3.539 681 HD23 LEU 86 HD23 LEU 86 -3.450 -4.778 5.016 682 H LEU 87 H LEU 87 -9.090 -5.744 4.695 683 HA LEU 87 HA LEU 87 -10.269 -5.266 7.365 684 HB2 LEU 87 HB1 LEU 87 -10.904 -3.722 5.012 685 HB3 LEU 87 HB2 LEU 87 -12.352 -4.612 5.508 686 HG LEU 87 HG LEU 87 -10.690 -2.933 7.432 687 HD11 LEU 87 HD11 LEU 87 -12.459 -1.224 7.194 688 HD12 LEU 87 HD12 LEU 87 -13.211 -2.179 5.893 689 HD13 LEU 87 HD13 LEU 87 -11.582 -1.493 5.682 690 HD21 LEU 87 HD21 LEU 87 -12.744 -3.086 8.828 691 HD22 LEU 87 HD22 LEU 87 -12.077 -4.692 8.501 692 HD23 LEU 87 HD23 LEU 87 -13.499 -4.126 7.600 693 H GLY 88 H GLY 88 -9.837 -7.365 7.655 694 HA2 GLY 88 HA3 GLY 88 -10.858 -9.515 8.006 695 HA3 GLY 88 HA2 GLY 88 -11.681 -9.366 6.437 696 H LEU 89 H LEU 89 -9.099 -10.799 8.027 697 HA LEU 89 HA LEU 89 -7.261 -10.906 5.689 698 HB2 LEU 89 HB1 LEU 89 -6.944 -11.864 8.554 699 HB3 LEU 89 HB2 LEU 89 -5.679 -11.848 7.306 700 HG LEU 89 HG LEU 89 -6.996 -9.384 8.530 701 HD11 LEU 89 HD11 LEU 89 -4.765 -9.087 9.592 702 HD12 LEU 89 HD12 LEU 89 -4.277 -10.679 8.960 703 HD13 LEU 89 HD13 LEU 89 -5.591 -10.565 10.131 704 HD21 LEU 89 HD21 LEU 89 -6.271 -8.931 6.229 705 HD22 LEU 89 HD22 LEU 89 -4.684 -9.654 6.553 706 HD23 LEU 89 HD23 LEU 89 -5.166 -8.154 7.380 707 H LYS 90 H LYS 90 -7.211 -12.654 4.385 708 HA LYS 90 HA LYS 90 -8.762 -15.074 5.183 709 HB2 LYS 90 HB1 LYS 90 -7.503 -14.309 2.528 710 HB3 LYS 90 HB2 LYS 90 -8.466 -15.777 2.844 711 HG2 LYS 90 HG1 LYS 90 -10.361 -14.192 3.550 712 HG3 LYS 90 HG2 LYS 90 -9.367 -12.893 2.836 713 HD2 LYS 90 HD1 LYS 90 -9.398 -14.006 0.673 714 HD3 LYS 90 HD2 LYS 90 -10.258 -15.403 1.327 715 HE2 LYS 90 HE1 LYS 90 -11.384 -12.581 1.262 716 HE3 LYS 90 HE2 LYS 90 -11.650 -13.781 -0.020 717 HZ1 LYS 90 HZ1 LYS 90 -13.484 -13.691 1.499 718 HZ2 LYS 90 HZ2 LYS 90 -12.622 -13.897 2.782 719 HZ3 LYS 90 HZ3 LYS 90 -12.762 -15.168 1.716 720 H ARG 91 H ARG 91 -5.440 -14.102 4.832 721 HA ARG 91 HA ARG 91 -4.578 -16.860 5.591 722 HB2 ARG 91 HB1 ARG 91 -2.941 -14.426 4.806 723 HB3 ARG 91 HB2 ARG 91 -2.245 -15.934 5.426 724 HG2 ARG 91 HG1 ARG 91 -3.780 -15.531 2.843 725 HG3 ARG 91 HG2 ARG 91 -2.050 -15.867 3.006 726 HD2 ARG 91 HD1 ARG 91 -4.352 -17.755 3.650 727 HD3 ARG 91 HD2 ARG 91 -3.254 -17.839 2.249 728 HE ARG 91 HE ARG 91 -1.517 -17.987 4.372 729 HH11 ARG 91 HH12 ARG 91 -4.381 -19.937 3.572 730 HH12 ARG 91 HH11 ARG 91 -3.642 -21.374 4.222 731 HH21 ARG 91 HH22 ARG 91 -0.723 -19.669 5.147 732 HH22 ARG 91 HH21 ARG 91 -1.505 -21.257 5.155 733 HA PRO 92 HA PRO 92 -4.526 -15.245 9.694 734 HB2 PRO 92 HB1 PRO 92 -2.823 -16.949 11.021 735 HB3 PRO 92 HB2 PRO 92 -4.399 -17.505 10.398 736 HG2 PRO 92 HG1 PRO 92 -1.678 -17.730 9.068 737 HG3 PRO 92 HG2 PRO 92 -2.905 -19.027 9.290 738 HD2 PRO 92 HD1 PRO 92 -2.670 -17.603 6.957 739 HD3 PRO 92 HD2 PRO 92 -4.256 -18.153 7.570 740 H LEU 93 H LEU 93 -1.938 -15.348 7.937 741 HA LEU 93 HA LEU 93 -0.056 -14.113 7.484 742 HB2 LEU 93 HB1 LEU 93 -0.949 -12.256 9.714 743 HB3 LEU 93 HB2 LEU 93 0.295 -11.930 8.484 744 HG LEU 93 HG LEU 93 -2.699 -12.185 8.030 745 HD11 LEU 93 HD11 LEU 93 -1.949 -10.075 9.085 746 HD12 LEU 93 HD12 LEU 93 -2.466 -9.780 7.413 747 HD13 LEU 93 HD13 LEU 93 -0.739 -9.857 7.809 748 HD21 LEU 93 HD21 LEU 93 -2.229 -11.535 5.685 749 HD22 LEU 93 HD22 LEU 93 -1.505 -13.102 6.068 750 HD23 LEU 93 HD23 LEU 93 -0.483 -11.654 5.999 751 H LYS 94 H LYS 94 1.468 -15.557 7.966 752 HA LYS 94 HA LYS 94 2.872 -15.122 10.594 753 HB2 LYS 94 HB1 LYS 94 2.690 -17.469 8.735 754 HB3 LYS 94 HB2 LYS 94 4.250 -17.177 9.541 755 HG2 LYS 94 HG1 LYS 94 2.798 -18.816 10.717 756 HG3 LYS 94 HG2 LYS 94 3.270 -17.425 11.716 757 HD2 LYS 94 HD1 LYS 94 1.097 -16.412 11.441 758 HD3 LYS 94 HD2 LYS 94 0.611 -17.624 10.247 759 HE2 LYS 94 HE1 LYS 94 0.704 -19.373 12.007 760 HE3 LYS 94 HE2 LYS 94 1.283 -18.162 13.178 761 HZ1 LYS 94 HZ1 LYS 94 -1.086 -18.470 13.396 762 HZ2 LYS 94 HZ2 LYS 94 -1.337 -18.163 11.798 763 HZ3 LYS 94 HZ3 LYS 94 -0.814 -16.960 12.778 764 H ALA 95 H ALA 95 4.864 -14.350 10.618 765 HA ALA 95 HA ALA 95 6.224 -12.976 8.533 766 HB1 ALA 95 HB1 ALA 95 7.187 -14.566 10.979 767 HB2 ALA 95 HB2 ALA 95 8.219 -13.526 9.997 768 HB3 ALA 95 HB3 ALA 95 6.886 -12.805 10.902 769 H GLY 96 H GLY 96 7.157 -13.678 6.737 770 HA2 GLY 96 HA3 GLY 96 8.291 -15.096 5.289 771 HA3 GLY 96 HA2 GLY 96 8.156 -16.415 6.474 772 H GLU 97 H GLU 97 4.973 -15.244 5.938 773 HA GLU 97 HA GLU 97 4.437 -17.282 3.849 774 HB2 GLU 97 HB1 GLU 97 2.641 -15.281 5.241 775 HB3 GLU 97 HB2 GLU 97 2.126 -16.228 3.817 776 HG2 GLU 97 HG1 GLU 97 2.655 -18.314 5.089 777 HG3 GLU 97 HG2 GLU 97 2.939 -17.318 6.523 778 H GLU 98 H GLU 98 3.386 -16.591 1.840 779 HA GLU 98 HA GLU 98 4.728 -14.211 0.647 780 HB2 GLU 98 HB1 GLU 98 3.724 -16.787 -0.599 781 HB3 GLU 98 HB2 GLU 98 4.359 -15.389 -1.511 782 HG2 GLU 98 HG1 GLU 98 6.520 -15.608 -0.295 783 HG3 GLU 98 HG2 GLU 98 5.902 -17.059 0.523 784 H VAL 99 H VAL 99 3.587 -12.913 -0.793 785 HA VAL 99 HA VAL 99 0.589 -12.933 -0.636 786 HB VAL 99 HB VAL 99 2.505 -10.545 -0.521 787 HG11 VAL 99 HG11 VAL 99 0.459 -9.199 -0.099 788 HG12 VAL 99 HG12 VAL 99 0.492 -9.871 -1.711 789 HG13 VAL 99 HG13 VAL 99 -0.536 -10.622 -0.464 790 HG21 VAL 99 HG21 VAL 99 2.468 -11.831 1.597 791 HG22 VAL 99 HG22 VAL 99 1.828 -10.218 1.737 792 HG23 VAL 99 HG23 VAL 99 0.703 -11.603 1.682 793 H GLU 100 H GLU 100 -0.053 -13.400 -2.636 794 HA GLU 100 HA GLU 100 1.076 -12.019 -5.013 795 HB2 GLU 100 HB1 GLU 100 -1.390 -13.710 -4.545 796 HB3 GLU 100 HB2 GLU 100 -1.210 -12.685 -5.994 797 HG2 GLU 100 HG1 GLU 100 1.199 -14.142 -5.807 798 HG3 GLU 100 HG2 GLU 100 -0.080 -15.314 -5.426 799 H LEU 101 H LEU 101 0.343 -10.128 -5.804 800 HA LEU 101 HA LEU 101 -2.115 -8.890 -4.743 801 HB2 LEU 101 HB1 LEU 101 0.640 -7.998 -4.139 802 HB3 LEU 101 HB2 LEU 101 -0.449 -6.717 -4.726 803 HG LEU 101 HG LEU 101 -1.294 -8.504 -2.470 804 HD11 LEU 101 HD11 LEU 101 0.854 -7.500 -1.854 805 HD12 LEU 101 HD12 LEU 101 -0.510 -6.851 -0.918 806 HD13 LEU 101 HD13 LEU 101 0.206 -5.887 -2.248 807 HD21 LEU 101 HD21 LEU 101 -1.970 -5.612 -3.179 808 HD22 LEU 101 HD22 LEU 101 -2.749 -6.595 -1.932 809 HD23 LEU 101 HD23 LEU 101 -2.981 -6.991 -3.647 810 H ASP 102 H ASP 102 -3.252 -8.481 -6.327 811 HA ASP 102 HA ASP 102 -2.458 -7.671 -9.033 812 HB2 ASP 102 HB1 ASP 102 -5.111 -8.011 -7.594 813 HB3 ASP 102 HB2 ASP 102 -4.952 -7.628 -9.302 814 H LEU 103 H LEU 103 -1.494 -5.642 -8.719 815 HA LEU 103 HA LEU 103 -2.756 -3.481 -7.214 816 HB2 LEU 103 HB1 LEU 103 -0.540 -3.402 -9.289 817 HB3 LEU 103 HB2 LEU 103 -0.884 -2.169 -8.072 818 HG LEU 103 HG LEU 103 0.206 -4.981 -7.597 819 HD11 LEU 103 HD11 LEU 103 2.231 -3.787 -6.892 820 HD12 LEU 103 HD12 LEU 103 1.442 -2.230 -7.234 821 HD13 LEU 103 HD13 LEU 103 1.799 -3.360 -8.557 822 HD21 LEU 103 HD21 LEU 103 0.447 -4.331 -5.225 823 HD22 LEU 103 HD22 LEU 103 -1.243 -4.388 -5.703 824 HD23 LEU 103 HD23 LEU 103 -0.428 -2.813 -5.544 825 H LEU 104 H LEU 104 -4.261 -2.023 -7.959 826 HA LEU 104 HA LEU 104 -5.357 -2.523 -10.674 827 HB2 LEU 104 HB1 LEU 104 -6.604 -0.925 -8.426 828 HB3 LEU 104 HB2 LEU 104 -7.401 -1.571 -9.868 829 HG LEU 104 HG LEU 104 -6.391 -3.089 -7.475 830 HD11 LEU 104 HD11 LEU 104 -8.464 -1.830 -7.100 831 HD12 LEU 104 HD12 LEU 104 -8.755 -3.577 -7.054 832 HD13 LEU 104 HD13 LEU 104 -9.215 -2.639 -8.493 833 HD21 LEU 104 HD21 LEU 104 -7.458 -5.114 -8.495 834 HD22 LEU 104 HD22 LEU 104 -6.074 -4.534 -9.425 835 HD23 LEU 104 HD23 LEU 104 -7.724 -4.186 -9.991 836 H PHE 105 H PHE 105 -5.374 -1.007 -12.259 837 HA PHE 105 HA PHE 105 -4.474 1.789 -11.579 838 HB2 PHE 105 HB1 PHE 105 -3.538 -0.151 -13.680 839 HB3 PHE 105 HB2 PHE 105 -3.237 1.572 -13.824 840 HD1 PHE 105 HD2 PHE 105 -2.370 -1.547 -12.115 841 HD2 PHE 105 HD1 PHE 105 -1.564 2.666 -12.408 842 HE1 PHE 105 HE2 PHE 105 -0.181 -1.888 -10.979 843 HE2 PHE 105 HE1 PHE 105 0.628 2.334 -11.323 844 HZ PHE 105 HZ PHE 105 1.318 0.059 -10.566 845 H ALA 106 H ALA 106 -5.232 3.445 -12.780 846 HA ALA 106 HA ALA 106 -7.693 3.132 -14.283 847 HB1 ALA 106 HB1 ALA 106 -5.833 5.535 -14.148 848 HB2 ALA 106 HB2 ALA 106 -7.541 5.537 -14.623 849 HB3 ALA 106 HB3 ALA 106 -7.095 5.169 -12.949 850 H GLY 107 H GLY 107 -7.916 4.010 -16.572 851 HA2 GLY 107 HA3 GLY 107 -7.339 4.020 -18.821 852 HA3 GLY 107 HA2 GLY 107 -5.632 3.827 -18.360 853 H GLY 108 H GLY 108 -8.016 1.549 -17.200 854 HA2 GLY 108 HA3 GLY 108 -8.585 -0.617 -17.737 855 HA3 GLY 108 HA2 GLY 108 -7.972 -0.328 -19.381 856 H LYS 109 H LYS 109 -6.560 -0.628 -16.013 857 HA LYS 109 HA LYS 109 -4.572 -2.548 -17.013 858 HB2 LYS 109 HB1 LYS 109 -4.327 0.116 -15.583 859 HB3 LYS 109 HB2 LYS 109 -3.019 -1.043 -15.620 860 HG2 LYS 109 HG1 LYS 109 -4.208 0.449 -17.948 861 HG3 LYS 109 HG2 LYS 109 -2.647 0.744 -17.135 862 HD2 LYS 109 HD1 LYS 109 -1.667 -1.179 -18.079 863 HD3 LYS 109 HD2 LYS 109 -3.219 -1.862 -18.590 864 HE2 LYS 109 HE1 LYS 109 -2.159 0.793 -19.629 865 HE3 LYS 109 HE2 LYS 109 -1.807 -0.765 -20.398 866 HZ1 LYS 109 HZ1 LYS 109 -3.755 0.195 -21.447 867 HZ2 LYS 109 HZ2 LYS 109 -4.467 0.533 -20.011 868 HZ3 LYS 109 HZ3 LYS 109 -4.339 -1.011 -20.477 869 H VAL 110 H VAL 110 -3.393 -3.469 -15.426 870 HA VAL 110 HA VAL 110 -3.791 -3.486 -12.662 871 HB VAL 110 HB VAL 110 -5.874 -4.570 -13.271 872 HG11 VAL 110 HG11 VAL 110 -5.267 -5.632 -15.378 873 HG12 VAL 110 HG12 VAL 110 -4.269 -6.824 -14.507 874 HG13 VAL 110 HG13 VAL 110 -6.028 -6.779 -14.269 875 HG21 VAL 110 HG21 VAL 110 -4.019 -6.615 -11.957 876 HG22 VAL 110 HG22 VAL 110 -4.745 -5.229 -11.125 877 HG23 VAL 110 HG23 VAL 110 -5.778 -6.508 -11.772 878 H LEU 111 H LEU 111 -2.115 -4.756 -11.670 879 HA LEU 111 HA LEU 111 -0.311 -6.356 -13.436 880 HB2 LEU 111 HB1 LEU 111 0.432 -3.996 -11.659 881 HB3 LEU 111 HB2 LEU 111 1.622 -5.163 -12.252 882 HG LEU 111 HG LEU 111 -0.059 -3.290 -13.977 883 HD11 LEU 111 HD11 LEU 111 2.061 -2.100 -14.355 884 HD12 LEU 111 HD12 LEU 111 2.906 -3.221 -13.264 885 HD13 LEU 111 HD13 LEU 111 1.665 -2.124 -12.629 886 HD21 LEU 111 HD21 LEU 111 2.224 -5.178 -14.740 887 HD22 LEU 111 HD22 LEU 111 1.467 -3.988 -15.819 888 HD23 LEU 111 HD23 LEU 111 0.528 -5.358 -15.227 889 H LYS 112 H LYS 112 0.064 -8.299 -12.471 890 HA LYS 112 HA LYS 112 -0.308 -8.526 -9.546 891 HB2 LYS 112 HB1 LYS 112 0.266 -10.574 -11.684 892 HB3 LYS 112 HB2 LYS 112 0.414 -10.908 -9.929 893 HG2 LYS 112 HG1 LYS 112 -2.026 -9.830 -9.900 894 HG3 LYS 112 HG2 LYS 112 -2.063 -10.387 -11.573 895 HD2 LYS 112 HD1 LYS 112 -1.412 -12.109 -9.134 896 HD3 LYS 112 HD2 LYS 112 -2.995 -12.055 -9.938 897 HE2 LYS 112 HE1 LYS 112 -2.256 -13.280 -11.759 898 HE3 LYS 112 HE2 LYS 112 -0.582 -12.687 -11.612 899 HZ1 LYS 112 HZ1 LYS 112 -0.246 -14.110 -9.755 900 HZ2 LYS 112 HZ2 LYS 112 -0.890 -15.077 -10.921 901 HZ3 LYS 112 HZ3 LYS 112 -1.736 -14.533 -9.595 902 H VAL 113 H VAL 113 1.206 -8.257 -8.140 903 HA VAL 113 HA VAL 113 4.069 -8.832 -8.824 904 HB VAL 113 HB VAL 113 3.246 -6.828 -6.716 905 HG11 VAL 113 HG11 VAL 113 5.896 -7.417 -8.087 906 HG12 VAL 113 HG12 VAL 113 5.606 -5.986 -7.077 907 HG13 VAL 113 HG13 VAL 113 5.504 -7.578 -6.358 908 HG21 VAL 113 HG21 VAL 113 2.473 -5.860 -8.859 909 HG22 VAL 113 HG22 VAL 113 3.926 -5.016 -8.332 910 HG23 VAL 113 HG23 VAL 113 4.038 -6.237 -9.615 911 H VAL 114 H VAL 114 5.273 -9.431 -6.770 912 HA VAL 114 HA VAL 114 3.622 -10.887 -4.820 913 HB VAL 114 HB VAL 114 4.175 -12.581 -6.437 914 HG11 VAL 114 HG11 VAL 114 7.133 -12.037 -5.927 915 HG12 VAL 114 HG12 VAL 114 6.439 -13.309 -6.944 916 HG13 VAL 114 HG13 VAL 114 6.248 -11.615 -7.412 917 HG21 VAL 114 HG21 VAL 114 5.836 -12.952 -3.899 918 HG22 VAL 114 HG22 VAL 114 4.085 -13.214 -4.043 919 HG23 VAL 114 HG23 VAL 114 5.207 -14.233 -4.953 920 H LEU 115 H LEU 115 4.259 -10.700 -2.824 921 HA LEU 115 HA LEU 115 6.942 -9.627 -2.013 922 HB2 LEU 115 HB1 LEU 115 4.227 -8.474 -1.265 923 HB3 LEU 115 HB2 LEU 115 5.784 -8.016 -0.538 924 HG LEU 115 HG LEU 115 6.203 -7.711 -3.312 925 HD11 LEU 115 HD11 LEU 115 3.478 -6.547 -2.582 926 HD12 LEU 115 HD12 LEU 115 3.751 -7.880 -3.722 927 HD13 LEU 115 HD13 LEU 115 4.378 -6.264 -4.088 928 HD21 LEU 115 HD21 LEU 115 7.087 -6.317 -1.527 929 HD22 LEU 115 HD22 LEU 115 5.472 -5.601 -1.292 930 HD23 LEU 115 HD23 LEU 115 6.360 -5.367 -2.826 931 HA PRO 116 HA PRO 116 5.944 -12.442 1.422 932 HB2 PRO 116 HB1 PRO 116 7.508 -11.596 3.460 933 HB3 PRO 116 HB2 PRO 116 8.194 -12.274 1.951 934 HG2 PRO 116 HG1 PRO 116 7.790 -9.343 2.642 935 HG3 PRO 116 HG2 PRO 116 9.298 -10.138 2.065 936 HD2 PRO 116 HD1 PRO 116 7.602 -8.863 0.345 937 HD3 PRO 116 HD2 PRO 116 8.426 -10.383 -0.125 938 H VAL 117 H VAL 117 5.040 -12.609 3.588 939 HA VAL 117 HA VAL 117 3.678 -10.263 4.786 940 HB VAL 117 HB VAL 117 3.758 -13.220 5.528 941 HG11 VAL 117 HG11 VAL 117 1.900 -12.698 7.042 942 HG12 VAL 117 HG12 VAL 117 3.360 -11.813 7.471 943 HG13 VAL 117 HG13 VAL 117 2.040 -10.967 6.625 944 HG21 VAL 117 HG21 VAL 117 1.516 -11.681 4.157 945 HG22 VAL 117 HG22 VAL 117 2.454 -13.042 3.489 946 HG23 VAL 117 HG23 VAL 117 1.352 -13.304 4.837 947 H GLU 118 H GLU 118 4.612 -9.386 6.716 948 HA GLU 118 HA GLU 118 6.521 -10.904 8.247 949 HB2 GLU 118 HB1 GLU 118 7.873 -9.951 6.329 950 HB3 GLU 118 HB2 GLU 118 7.564 -8.338 6.980 951 HG2 GLU 118 HG1 GLU 118 9.805 -9.458 7.557 952 HG3 GLU 118 HG2 GLU 118 8.888 -8.749 8.902 953 H ALA 119 H ALA 119 7.191 -9.801 10.253 954 HA ALA 119 HA ALA 119 4.731 -8.888 11.411 955 HB1 ALA 119 HB1 ALA 119 7.469 -9.294 12.700 956 HB2 ALA 119 HB2 ALA 119 5.884 -9.402 13.502 957 HB3 ALA 119 HB3 ALA 119 6.378 -10.623 12.312 958 H ARG 120 H ARG 120 6.713 -6.839 9.947 959 HA ARG 120 HA ARG 120 7.510 -5.187 12.174 960 HB2 ARG 120 HB1 ARG 120 8.643 -5.624 9.803 961 HB3 ARG 120 HB2 ARG 120 7.839 -4.114 9.381 962 HG2 ARG 120 HG1 ARG 120 9.665 -4.535 11.782 963 HG3 ARG 120 HG2 ARG 120 10.181 -3.817 10.244 964 HD2 ARG 120 HD1 ARG 120 9.294 -1.798 10.741 965 HD3 ARG 120 HD2 ARG 120 7.864 -2.440 11.526 966 HE ARG 120 HE ARG 120 10.475 -1.866 12.739 967 HH11 ARG 120 HH12 ARG 120 7.228 -3.224 13.364 968 HH12 ARG 120 HH11 ARG 120 7.541 -3.300 15.061 969 HH21 ARG 120 HH22 ARG 120 10.650 -1.871 14.945 970 HH22 ARG 120 HH21 ARG 120 9.360 -2.499 15.928 Start of MODEL 27 1 H1 GLY 1 1H GLY 1 9.844 -5.634 -8.880 2 H2 GLY 1 2H GLY 1 8.744 -4.862 -9.858 3 H3 GLY 1 3H GLY 1 10.293 -4.331 -9.770 4 HA2 GLY 1 HA3 GLY 1 9.412 -6.854 -10.972 5 HA3 GLY 1 HA2 GLY 1 10.091 -5.441 -11.811 6 H SER 2 H SER 2 12.337 -4.807 -11.316 7 HA SER 2 HA SER 2 14.193 -6.972 -10.585 8 HB2 SER 2 HB1 SER 2 15.603 -4.655 -10.344 9 HB3 SER 2 HB2 SER 2 15.405 -5.592 -11.855 10 HG SER 2 HG SER 2 13.813 -3.322 -11.065 11 H PHE 3 H PHE 3 12.897 -4.056 -8.931 12 HA PHE 3 HA PHE 3 13.434 -5.458 -6.338 13 HB2 PHE 3 HB1 PHE 3 13.712 -2.541 -7.109 14 HB3 PHE 3 HB2 PHE 3 13.639 -3.080 -5.424 15 HD1 PHE 3 HD2 PHE 3 15.642 -3.252 -8.566 16 HD2 PHE 3 HD1 PHE 3 15.524 -4.125 -4.346 17 HE1 PHE 3 HE2 PHE 3 18.082 -3.712 -8.591 18 HE2 PHE 3 HE1 PHE 3 17.959 -4.602 -4.378 19 HZ PHE 3 HZ PHE 3 19.241 -4.394 -6.499 20 H THR 4 H THR 4 12.013 -4.852 -4.631 21 HA THR 4 HA THR 4 9.836 -3.064 -4.822 22 HB THR 4 HB THR 4 8.009 -4.587 -4.133 23 HG1 THR 4 HG1 THR 4 9.471 -6.319 -3.733 24 HG21 THR 4 HG21 THR 4 8.239 -3.768 -6.570 25 HG22 THR 4 HG22 THR 4 7.142 -5.121 -6.217 26 HG23 THR 4 HG23 THR 4 8.728 -5.446 -6.928 27 H GLU 5 H GLU 5 10.785 -2.188 -3.075 28 HA GLU 5 HA GLU 5 11.579 -3.762 -0.780 29 HB2 GLU 5 HB1 GLU 5 11.413 -0.751 -0.864 30 HB3 GLU 5 HB2 GLU 5 12.483 -1.805 0.103 31 HG2 GLU 5 HG1 GLU 5 13.971 -1.044 -1.455 32 HG3 GLU 5 HG2 GLU 5 13.432 -2.506 -2.273 33 H GLY 6 H GLY 6 9.322 -4.745 -0.549 34 HA2 GLY 6 HA3 GLY 6 7.556 -3.034 1.149 35 HA3 GLY 6 HA2 GLY 6 6.934 -4.019 -0.196 36 H TRP 7 H TRP 7 5.924 -4.126 2.429 37 HA TRP 7 HA TRP 7 6.303 -6.947 3.033 38 HB2 TRP 7 HB1 TRP 7 6.696 -6.629 5.409 39 HB3 TRP 7 HB2 TRP 7 8.032 -5.985 4.471 40 HD1 TRP 7 HD TRP 7 5.937 -5.252 7.341 41 HE1 TRP 7 HE1 TRP 7 6.152 -2.799 8.136 42 HE3 TRP 7 3HE TRP 7 8.423 -3.274 3.306 43 HZ2 TRP 7 HZ2 TRP 7 7.082 -0.324 7.074 44 HZ3 TRP 7 HZ3 TRP 7 8.909 -0.861 3.200 45 HH2 TRP 7 HH TRP 7 8.236 0.640 5.066 46 H VAL 8 H VAL 8 4.506 -7.907 3.761 47 HA VAL 8 HA VAL 8 2.173 -6.174 4.547 48 HB VAL 8 HB VAL 8 2.256 -9.142 3.915 49 HG11 VAL 8 HG11 VAL 8 -0.252 -8.988 4.164 50 HG12 VAL 8 HG12 VAL 8 0.599 -8.778 5.694 51 HG13 VAL 8 HG13 VAL 8 -0.054 -7.362 4.845 52 HG21 VAL 8 HG21 VAL 8 2.373 -7.750 1.914 53 HG22 VAL 8 HG22 VAL 8 0.712 -8.333 2.058 54 HG23 VAL 8 HG23 VAL 8 1.098 -6.675 2.524 55 H ARG 9 H ARG 9 1.594 -5.950 6.641 56 HA ARG 9 HA ARG 9 3.524 -6.537 8.581 57 HB2 ARG 9 HB1 ARG 9 2.532 -4.800 9.325 58 HB3 ARG 9 HB2 ARG 9 1.047 -5.088 8.449 59 HG2 ARG 9 HG1 ARG 9 1.741 -6.243 11.163 60 HG3 ARG 9 HG2 ARG 9 0.802 -4.748 10.873 61 HD2 ARG 9 HD1 ARG 9 -0.026 -7.610 10.482 62 HD3 ARG 9 HD2 ARG 9 -0.799 -6.311 11.426 63 HE ARG 9 HE ARG 9 -0.895 -5.481 8.760 64 HH11 ARG 9 HH12 ARG 9 -2.175 -8.422 10.409 65 HH12 ARG 9 HH11 ARG 9 -3.661 -8.289 9.550 66 HH21 ARG 9 HH22 ARG 9 -2.772 -5.472 7.703 67 HH22 ARG 9 HH21 ARG 9 -3.933 -6.755 7.918 68 H PHE 10 H PHE 10 3.981 -8.104 9.921 69 HA PHE 10 HA PHE 10 2.424 -10.555 10.156 70 HB2 PHE 10 HB1 PHE 10 4.765 -10.803 10.395 71 HB3 PHE 10 HB2 PHE 10 4.868 -9.453 11.549 72 HD1 PHE 10 HD1 PHE 10 2.360 -12.271 11.675 73 HD2 PHE 10 HD2 PHE 10 5.922 -10.520 13.373 74 HE1 PHE 10 HE1 PHE 10 2.063 -13.637 13.708 75 HE2 PHE 10 HE2 PHE 10 5.660 -11.960 15.373 76 HZ PHE 10 HZ PHE 10 3.708 -13.494 15.561 77 H SER 11 H SER 11 0.366 -10.077 10.915 78 HA SER 11 HA SER 11 0.292 -10.601 13.660 79 HB2 SER 11 HB1 SER 11 -0.303 -7.796 12.879 80 HB3 SER 11 HB2 SER 11 -1.523 -8.598 13.889 81 HG SER 11 HG SER 11 1.267 -8.353 14.399 82 HA PRO 12 HA PRO 12 -3.199 -12.516 11.750 83 HB2 PRO 12 HB1 PRO 12 -4.262 -13.930 13.802 84 HB3 PRO 12 HB2 PRO 12 -2.585 -14.220 13.242 85 HG2 PRO 12 HG1 PRO 12 -3.471 -12.439 15.539 86 HG3 PRO 12 HG2 PRO 12 -2.255 -13.769 15.582 87 HD2 PRO 12 HD1 PRO 12 -1.521 -11.164 15.213 88 HD3 PRO 12 HD2 PRO 12 -0.699 -12.502 14.353 89 H GLY 13 H GLY 13 -3.743 -9.747 13.527 90 HA2 GLY 13 HA3 GLY 13 -6.449 -9.979 14.375 91 HA3 GLY 13 HA2 GLY 13 -5.563 -8.467 14.072 92 HA PRO 14 HA PRO 14 -8.758 -9.932 10.704 93 HB2 PRO 14 HB1 PRO 14 -11.137 -8.771 11.424 94 HB3 PRO 14 HB2 PRO 14 -10.599 -10.370 12.017 95 HG2 PRO 14 HG1 PRO 14 -10.296 -7.687 13.396 96 HG3 PRO 14 HG2 PRO 14 -10.951 -9.217 14.084 97 HD2 PRO 14 HD1 PRO 14 -8.368 -8.490 14.494 98 HD3 PRO 14 HD2 PRO 14 -8.788 -10.195 14.165 99 H ASN 15 H ASN 15 -7.926 -6.811 12.062 100 HA ASN 15 HA ASN 15 -7.569 -5.993 9.325 101 HB2 ASN 15 HB1 ASN 15 -8.376 -3.713 9.676 102 HB3 ASN 15 HB2 ASN 15 -9.675 -4.907 9.881 103 HD21 ASN 15 HD21 ASN 15 -10.874 -3.159 10.974 104 HD22 ASN 15 HD22 ASN 15 -10.478 -2.801 12.649 105 H ALA 16 H ALA 16 -6.111 -4.165 9.168 106 HA ALA 16 HA ALA 16 -4.705 -2.660 10.769 107 HB1 ALA 16 HB1 ALA 16 -3.363 -5.366 10.990 108 HB2 ALA 16 HB2 ALA 16 -2.454 -3.856 11.211 109 HB3 ALA 16 HB3 ALA 16 -3.814 -4.238 12.266 110 H ALA 17 H ALA 17 -2.365 -2.112 9.846 111 HA ALA 17 HA ALA 17 -2.842 -1.585 7.057 112 HB1 ALA 17 HB1 ALA 17 -0.739 -0.262 7.277 113 HB2 ALA 17 HB2 ALA 17 -1.840 0.073 8.619 114 HB3 ALA 17 HB3 ALA 17 -0.459 -1.014 8.861 115 H ALA 18 H ALA 18 -1.073 -1.695 5.464 116 HA ALA 18 HA ALA 18 0.990 -3.743 5.591 117 HB1 ALA 18 HB1 ALA 18 0.214 -4.860 3.513 118 HB2 ALA 18 HB2 ALA 18 -0.928 -5.100 4.852 119 HB3 ALA 18 HB3 ALA 18 -1.286 -3.922 3.564 120 H TYR 19 H TYR 19 2.451 -3.527 3.705 121 HA TYR 19 HA TYR 19 2.463 -0.757 2.613 122 HB2 TYR 19 HB1 TYR 19 4.838 -1.970 4.012 123 HB3 TYR 19 HB2 TYR 19 4.528 -0.275 3.645 124 HD1 TYR 19 HD1 TYR 19 2.884 1.015 5.075 125 HD2 TYR 19 HD2 TYR 19 4.043 -3.028 5.975 126 HE1 TYR 19 HE1 TYR 19 1.981 1.269 7.382 127 HE2 TYR 19 HE2 TYR 19 3.238 -2.780 8.290 128 HH TYR 19 HH TYR 19 1.795 0.317 9.439 129 H LEU 20 H LEU 20 4.138 -0.321 1.091 130 HA LEU 20 HA LEU 20 5.811 -2.339 0.098 131 HB2 LEU 20 HB1 LEU 20 5.039 -2.869 -2.016 132 HB3 LEU 20 HB2 LEU 20 3.650 -3.111 -0.959 133 HG LEU 20 HG LEU 20 4.081 -0.707 -2.789 134 HD11 LEU 20 HD11 LEU 20 3.732 -2.829 -4.008 135 HD12 LEU 20 HD12 LEU 20 2.344 -1.738 -4.176 136 HD13 LEU 20 HD13 LEU 20 2.255 -3.127 -3.066 137 HD21 LEU 20 HD21 LEU 20 2.668 -0.107 -0.874 138 HD22 LEU 20 HD22 LEU 20 1.683 -1.565 -1.101 139 HD23 LEU 20 HD23 LEU 20 1.667 -0.265 -2.320 140 H THR 21 H THR 21 7.171 -1.775 -1.589 141 HA THR 21 HA THR 21 7.173 1.065 -2.475 142 HB THR 21 HB THR 21 9.592 -0.673 -1.948 143 HG1 THR 21 HG1 THR 21 9.137 -0.051 -0.023 144 HG21 THR 21 HG21 THR 21 10.876 1.379 -2.177 145 HG22 THR 21 HG22 THR 21 9.447 2.260 -2.697 146 HG23 THR 21 HG23 THR 21 10.104 0.942 -3.705 147 H LEU 22 H LEU 22 7.735 1.290 -4.616 148 HA LEU 22 HA LEU 22 7.781 -1.135 -6.350 149 HB2 LEU 22 HB1 LEU 22 5.433 0.092 -5.857 150 HB3 LEU 22 HB2 LEU 22 6.016 1.042 -7.241 151 HG LEU 22 HG LEU 22 6.581 -1.313 -8.305 152 HD11 LEU 22 HD11 LEU 22 4.561 -2.136 -6.172 153 HD12 LEU 22 HD12 LEU 22 6.241 -2.659 -6.223 154 HD13 LEU 22 HD13 LEU 22 5.134 -3.156 -7.511 155 HD21 LEU 22 HD21 LEU 22 3.738 -0.405 -7.866 156 HD22 LEU 22 HD22 LEU 22 4.309 -1.504 -9.158 157 HD23 LEU 22 HD23 LEU 22 4.887 0.176 -9.104 158 H GLU 23 H GLU 23 8.532 -0.780 -8.421 159 HA GLU 23 HA GLU 23 9.988 1.742 -9.031 160 HB2 GLU 23 HB1 GLU 23 11.170 0.152 -10.723 161 HB3 GLU 23 HB2 GLU 23 11.719 0.198 -9.028 162 HG2 GLU 23 HG1 GLU 23 10.759 -1.858 -8.518 163 HG3 GLU 23 HG2 GLU 23 9.652 -1.833 -9.900 164 H ASN 24 H ASN 24 9.183 2.845 -10.735 165 HA ASN 24 HA ASN 24 7.583 1.322 -12.754 166 HB2 ASN 24 HB1 ASN 24 6.560 3.399 -11.865 167 HB3 ASN 24 HB2 ASN 24 7.934 4.331 -12.474 168 HD21 ASN 24 HD21 ASN 24 6.247 5.458 -13.753 169 HD22 ASN 24 HD22 ASN 24 5.799 4.735 -15.306 170 HA PRO 25 HA PRO 25 11.723 1.749 -14.703 171 HB2 PRO 25 HB1 PRO 25 11.849 -0.650 -16.013 172 HB3 PRO 25 HB2 PRO 25 12.157 -0.512 -14.256 173 HG2 PRO 25 HG1 PRO 25 9.549 -1.257 -15.624 174 HG3 PRO 25 HG2 PRO 25 10.390 -2.146 -14.304 175 HD2 PRO 25 HD1 PRO 25 8.365 -0.397 -13.783 176 HD3 PRO 25 HD2 PRO 25 9.796 -0.509 -12.716 177 H GLY 26 H GLY 26 8.522 1.532 -15.967 178 HA2 GLY 26 HA3 GLY 26 9.214 1.556 -18.788 179 HA3 GLY 26 HA2 GLY 26 7.613 1.819 -18.059 180 H ASP 27 H ASP 27 8.622 3.226 -20.229 181 HA ASP 27 HA ASP 27 9.486 5.879 -19.443 182 HB2 ASP 27 HB1 ASP 27 8.698 4.636 -22.103 183 HB3 ASP 27 HB2 ASP 27 9.437 6.241 -21.902 184 H LEU 28 H LEU 28 6.521 4.628 -19.072 185 HA LEU 28 HA LEU 28 5.210 7.253 -19.423 186 HB2 LEU 28 HB1 LEU 28 3.167 6.171 -20.148 187 HB3 LEU 28 HB2 LEU 28 4.540 5.853 -21.245 188 HG LEU 28 HG LEU 28 4.704 3.549 -20.136 189 HD11 LEU 28 HD11 LEU 28 2.486 2.743 -19.183 190 HD12 LEU 28 HD12 LEU 28 2.004 4.454 -19.035 191 HD13 LEU 28 HD13 LEU 28 3.382 3.814 -18.115 192 HD21 LEU 28 HD21 LEU 28 2.163 4.294 -21.654 193 HD22 LEU 28 HD22 LEU 28 2.865 2.664 -21.532 194 HD23 LEU 28 HD23 LEU 28 3.747 3.942 -22.377 195 HA PRO 29 HA PRO 29 4.547 7.128 -15.292 196 HB2 PRO 29 HB1 PRO 29 2.219 8.442 -14.746 197 HB3 PRO 29 HB2 PRO 29 3.614 9.209 -15.560 198 HG2 PRO 29 HG1 PRO 29 1.136 8.025 -16.827 199 HG3 PRO 29 HG2 PRO 29 1.913 9.609 -17.177 200 HD2 PRO 29 HD1 PRO 29 2.340 7.356 -18.695 201 HD3 PRO 29 HD2 PRO 29 3.610 8.575 -18.450 202 H LEU 30 H LEU 30 3.264 6.510 -13.293 203 HA LEU 30 HA LEU 30 1.207 4.378 -13.706 204 HB2 LEU 30 HB1 LEU 30 3.104 4.703 -11.403 205 HB3 LEU 30 HB2 LEU 30 1.719 3.593 -11.442 206 HG LEU 30 HG LEU 30 4.117 3.557 -13.246 207 HD11 LEU 30 HD11 LEU 30 4.683 1.479 -12.049 208 HD12 LEU 30 HD12 LEU 30 3.173 1.624 -11.114 209 HD13 LEU 30 HD13 LEU 30 4.470 2.816 -10.895 210 HD21 LEU 30 HD21 LEU 30 1.777 1.629 -13.246 211 HD22 LEU 30 HD22 LEU 30 3.338 1.360 -14.066 212 HD23 LEU 30 HD23 LEU 30 2.309 2.692 -14.581 213 H ARG 31 H ARG 31 -0.507 4.422 -12.346 214 HA ARG 31 HA ARG 31 -0.943 6.499 -10.359 215 HB2 ARG 31 HB1 ARG 31 -1.737 7.691 -12.287 216 HB3 ARG 31 HB2 ARG 31 -2.739 6.322 -12.793 217 HG2 ARG 31 HG1 ARG 31 -4.307 6.678 -11.083 218 HG3 ARG 31 HG2 ARG 31 -3.149 7.562 -10.057 219 HD2 ARG 31 HD1 ARG 31 -4.818 9.079 -11.004 220 HD3 ARG 31 HD2 ARG 31 -3.166 9.444 -11.523 221 HE ARG 31 HE ARG 31 -5.102 7.893 -13.198 222 HH11 ARG 31 HH12 ARG 31 -2.730 10.592 -13.031 223 HH12 ARG 31 HH11 ARG 31 -3.061 11.065 -14.651 224 HH21 ARG 31 HH22 ARG 31 -5.243 8.415 -15.343 225 HH22 ARG 31 HH21 ARG 31 -4.407 9.809 -15.968 226 H LEU 32 H LEU 32 -1.441 5.302 -8.684 227 HA LEU 32 HA LEU 32 -2.446 2.524 -8.994 228 HB2 LEU 32 HB1 LEU 32 -0.294 2.916 -7.914 229 HB3 LEU 32 HB2 LEU 32 -1.036 4.076 -6.788 230 HG LEU 32 HG LEU 32 -2.416 2.110 -5.885 231 HD11 LEU 32 HD11 LEU 32 -0.324 0.503 -7.430 232 HD12 LEU 32 HD12 LEU 32 -2.060 0.532 -7.782 233 HD13 LEU 32 HD13 LEU 32 -1.484 -0.147 -6.256 234 HD21 LEU 32 HD21 LEU 32 0.623 2.001 -5.619 235 HD22 LEU 32 HD22 LEU 32 -0.556 1.320 -4.477 236 HD23 LEU 32 HD23 LEU 32 -0.463 3.074 -4.711 237 H VAL 33 H VAL 33 -4.561 2.256 -8.722 238 HA VAL 33 HA VAL 33 -6.156 4.210 -7.115 239 HB VAL 33 HB VAL 33 -8.158 3.191 -8.266 240 HG11 VAL 33 HG11 VAL 33 -7.312 5.288 -9.069 241 HG12 VAL 33 HG12 VAL 33 -6.019 4.490 -9.992 242 HG13 VAL 33 HG13 VAL 33 -7.723 4.297 -10.465 243 HG21 VAL 33 HG21 VAL 33 -7.114 1.013 -8.945 244 HG22 VAL 33 HG22 VAL 33 -7.913 1.870 -10.267 245 HG23 VAL 33 HG23 VAL 33 -6.149 1.902 -10.153 246 H GLY 34 H GLY 34 -4.963 0.952 -6.945 247 HA2 GLY 34 HA3 GLY 34 -5.738 0.638 -4.279 248 HA3 GLY 34 HA2 GLY 34 -6.983 -0.172 -5.258 249 H ALA 35 H ALA 35 -6.173 -2.066 -4.013 250 HA ALA 35 HA ALA 35 -4.608 -3.566 -5.887 251 HB1 ALA 35 HB1 ALA 35 -3.652 -3.522 -3.003 252 HB2 ALA 35 HB2 ALA 35 -3.014 -4.517 -4.344 253 HB3 ALA 35 HB3 ALA 35 -2.817 -2.769 -4.383 254 H ARG 36 H ARG 36 -4.654 -6.028 -5.199 255 HA ARG 36 HA ARG 36 -6.640 -6.713 -3.203 256 HB2 ARG 36 HB1 ARG 36 -8.112 -8.092 -4.609 257 HB3 ARG 36 HB2 ARG 36 -8.262 -6.326 -4.842 258 HG2 ARG 36 HG1 ARG 36 -8.510 -7.178 -6.956 259 HG3 ARG 36 HG2 ARG 36 -6.826 -6.639 -6.924 260 HD2 ARG 36 HD1 ARG 36 -6.808 -8.656 -8.095 261 HD3 ARG 36 HD2 ARG 36 -6.212 -9.112 -6.510 262 HE ARG 36 HE ARG 36 -8.992 -9.555 -6.475 263 HH11 ARG 36 HH12 ARG 36 -6.180 -10.787 -8.272 264 HH12 ARG 36 HH11 ARG 36 -6.981 -12.255 -8.721 265 HH21 ARG 36 HH22 ARG 36 -9.954 -11.545 -7.056 266 HH22 ARG 36 HH21 ARG 36 -9.079 -12.658 -8.075 267 H THR 37 H THR 37 -6.585 -8.831 -2.493 268 HA THR 37 HA THR 37 -4.161 -10.410 -3.284 269 HB THR 37 HB THR 37 -3.487 -8.858 -1.683 270 HG1 THR 37 HG1 THR 37 -2.586 -10.812 -1.483 271 HG21 THR 37 HG21 THR 37 -5.605 -9.867 0.245 272 HG22 THR 37 HG22 THR 37 -5.575 -8.258 -0.507 273 HG23 THR 37 HG23 THR 37 -4.290 -8.729 0.602 274 HA PRO 38 HA PRO 38 -7.169 -13.696 -2.201 275 HB2 PRO 38 HB1 PRO 38 -5.559 -15.824 -1.630 276 HB3 PRO 38 HB2 PRO 38 -5.794 -15.171 -3.284 277 HG2 PRO 38 HG1 PRO 38 -3.515 -14.566 -1.400 278 HG3 PRO 38 HG2 PRO 38 -3.421 -15.115 -3.115 279 HD2 PRO 38 HD1 PRO 38 -3.280 -12.480 -2.457 280 HD3 PRO 38 HD2 PRO 38 -4.157 -13.010 -3.913 281 H VAL 39 H VAL 39 -4.660 -12.602 -0.030 282 HA VAL 39 HA VAL 39 -5.533 -14.157 2.216 283 HB VAL 39 HB VAL 39 -4.065 -12.997 3.630 284 HG11 VAL 39 HG11 VAL 39 -1.957 -13.199 2.455 285 HG12 VAL 39 HG12 VAL 39 -3.058 -14.469 1.897 286 HG13 VAL 39 HG13 VAL 39 -2.757 -13.043 0.879 287 HG21 VAL 39 HG21 VAL 39 -4.587 -10.645 3.165 288 HG22 VAL 39 HG22 VAL 39 -2.848 -10.955 3.113 289 HG23 VAL 39 HG23 VAL 39 -3.750 -10.775 1.607 290 H ALA 40 H ALA 40 -7.471 -11.792 0.845 291 HA ALA 40 HA ALA 40 -8.762 -11.148 3.381 292 HB1 ALA 40 HB1 ALA 40 -6.837 -9.548 3.255 293 HB2 ALA 40 HB2 ALA 40 -7.479 -8.937 1.714 294 HB3 ALA 40 HB3 ALA 40 -8.396 -8.712 3.212 295 H GLU 41 H GLU 41 -10.405 -9.390 3.114 296 HA GLU 41 HA GLU 41 -12.308 -10.218 0.960 297 HB2 GLU 41 HB1 GLU 41 -12.727 -10.731 3.440 298 HB3 GLU 41 HB2 GLU 41 -12.877 -8.982 3.691 299 HG2 GLU 41 HG1 GLU 41 -15.094 -9.752 3.435 300 HG3 GLU 41 HG2 GLU 41 -14.698 -9.046 1.864 301 H ARG 42 H ARG 42 -11.139 -7.469 2.936 302 HA ARG 42 HA ARG 42 -11.622 -5.643 0.646 303 HB2 ARG 42 HB1 ARG 42 -12.704 -5.470 3.405 304 HB3 ARG 42 HB2 ARG 42 -11.893 -3.988 2.842 305 HG2 ARG 42 HG1 ARG 42 -13.280 -4.307 0.668 306 HG3 ARG 42 HG2 ARG 42 -14.284 -5.409 1.621 307 HD2 ARG 42 HD1 ARG 42 -14.887 -3.653 3.155 308 HD3 ARG 42 HD2 ARG 42 -13.627 -2.570 2.525 309 HE ARG 42 HE ARG 42 -16.287 -2.987 1.454 310 HH11 ARG 42 HH12 ARG 42 -12.979 -2.030 0.522 311 HH12 ARG 42 HH11 ARG 42 -13.502 -1.087 -0.765 312 HH21 ARG 42 HH22 ARG 42 -16.905 -1.698 -0.359 313 HH22 ARG 42 HH21 ARG 42 -15.656 -1.019 -1.367 314 H VAL 43 H VAL 43 -10.400 -3.538 0.938 315 HA VAL 43 HA VAL 43 -8.006 -3.369 2.171 316 HB VAL 43 HB VAL 43 -6.960 -5.256 1.281 317 HG11 VAL 43 HG11 VAL 43 -6.865 -5.818 -1.129 318 HG12 VAL 43 HG12 VAL 43 -8.514 -5.878 -0.498 319 HG13 VAL 43 HG13 VAL 43 -7.993 -4.485 -1.469 320 HG21 VAL 43 HG21 VAL 43 -5.578 -3.151 1.061 321 HG22 VAL 43 HG22 VAL 43 -5.115 -4.465 -0.034 322 HG23 VAL 43 HG23 VAL 43 -6.040 -3.085 -0.648 323 H GLU 44 H GLU 44 -7.309 -1.391 1.886 324 HA GLU 44 HA GLU 44 -8.394 0.316 -0.308 325 HB2 GLU 44 HB1 GLU 44 -8.703 1.435 2.374 326 HB3 GLU 44 HB2 GLU 44 -9.736 1.601 0.961 327 HG2 GLU 44 HG1 GLU 44 -9.632 -0.832 2.785 328 HG3 GLU 44 HG2 GLU 44 -10.757 0.545 2.938 329 H LEU 45 H LEU 45 -7.146 2.001 -0.747 330 HA LEU 45 HA LEU 45 -4.598 2.243 0.684 331 HB2 LEU 45 HB1 LEU 45 -4.901 2.073 -1.861 332 HB3 LEU 45 HB2 LEU 45 -5.410 3.759 -1.830 333 HG LEU 45 HG LEU 45 -2.850 2.925 -0.412 334 HD11 LEU 45 HD11 LEU 45 -1.601 3.288 -2.477 335 HD12 LEU 45 HD12 LEU 45 -3.146 3.418 -3.383 336 HD13 LEU 45 HD13 LEU 45 -2.711 1.892 -2.599 337 HD21 LEU 45 HD21 LEU 45 -3.628 5.310 -0.287 338 HD22 LEU 45 HD22 LEU 45 -3.551 5.383 -2.064 339 HD23 LEU 45 HD23 LEU 45 -2.070 5.135 -1.104 340 H HIS 46 H HIS 46 -4.160 3.637 2.119 341 HA HIS 46 HA HIS 46 -5.731 6.127 2.384 342 HB2 HIS 46 HB1 HIS 46 -4.250 4.425 4.397 343 HB3 HIS 46 HB2 HIS 46 -4.769 6.080 4.762 344 HD2 HIS 46 HD2 HIS 46 -7.444 3.917 2.961 345 HE1 HIS 46 HE1 HIS 46 -8.456 4.079 7.073 346 HE2 HIS 46 HE2 HIS 46 -9.179 3.262 4.769 347 H GLU 47 H GLU 47 -4.751 7.974 2.971 348 HA GLU 47 HA GLU 47 -1.833 8.404 2.551 349 HB2 GLU 47 HB1 GLU 47 -2.379 10.808 2.645 350 HB3 GLU 47 HB2 GLU 47 -3.255 10.005 1.324 351 HG2 GLU 47 HG1 GLU 47 -5.292 9.959 2.632 352 HG3 GLU 47 HG2 GLU 47 -4.473 10.594 4.065 353 H THR 48 H THR 48 -0.875 9.898 4.225 354 HA THR 48 HA THR 48 -2.159 10.018 6.876 355 HB THR 48 HB THR 48 0.476 8.602 6.390 356 HG1 THR 48 HG1 THR 48 -1.977 7.837 6.438 357 HG21 THR 48 HG21 THR 48 0.765 9.947 8.396 358 HG22 THR 48 HG22 THR 48 0.448 8.275 8.894 359 HG23 THR 48 HG23 THR 48 -0.840 9.496 8.993 360 H PHE 49 H PHE 49 -2.035 12.017 7.409 361 HA PHE 49 HA PHE 49 -0.046 13.774 6.054 362 HB2 PHE 49 HB1 PHE 49 -1.890 15.407 5.946 363 HB3 PHE 49 HB2 PHE 49 -2.227 13.916 5.054 364 HD1 PHE 49 HD1 PHE 49 -3.049 15.821 8.182 365 HD2 PHE 49 HD2 PHE 49 -4.149 12.578 5.568 366 HE1 PHE 49 HE1 PHE 49 -5.205 15.601 9.367 367 HE2 PHE 49 HE2 PHE 49 -6.310 12.367 6.758 368 HZ PHE 49 HZ PHE 49 -6.853 13.871 8.623 369 H MET 50 H MET 50 0.450 15.751 6.976 370 HA MET 50 HA MET 50 0.066 16.085 9.919 371 HB2 MET 50 HB1 MET 50 1.761 17.808 9.832 372 HB3 MET 50 HB2 MET 50 2.414 16.280 9.216 373 HG2 MET 50 HG1 MET 50 2.324 17.066 6.950 374 HG3 MET 50 HG2 MET 50 1.363 18.489 7.398 375 HE1 MET 50 HE1 MET 50 4.623 20.156 6.205 376 HE2 MET 50 HE2 MET 50 3.905 18.680 5.536 377 HE3 MET 50 HE3 MET 50 2.858 20.037 6.030 378 H ARG 51 H ARG 51 -0.723 18.147 10.668 379 HA ARG 51 HA ARG 51 -1.732 20.147 8.828 380 HB2 ARG 51 HB1 ARG 51 -3.465 18.034 9.297 381 HB3 ARG 51 HB2 ARG 51 -3.938 19.174 10.578 382 HG2 ARG 51 HG1 ARG 51 -5.339 19.740 8.788 383 HG3 ARG 51 HG2 ARG 51 -4.049 20.948 8.684 384 HD2 ARG 51 HD1 ARG 51 -2.920 19.412 6.986 385 HD3 ARG 51 HD2 ARG 51 -4.370 18.412 6.990 386 HE ARG 51 HE ARG 51 -3.919 20.890 5.621 387 HH11 ARG 51 HH12 ARG 51 -6.594 19.132 7.108 388 HH12 ARG 51 HH11 ARG 51 -7.785 19.888 6.092 389 HH21 ARG 51 HH22 ARG 51 -5.475 21.849 4.371 390 HH22 ARG 51 HH21 ARG 51 -7.152 21.441 4.576 391 H GLU 52 H GLU 52 -2.298 22.097 9.916 392 HA GLU 52 HA GLU 52 -1.887 22.148 12.865 393 HB2 GLU 52 HB1 GLU 52 -1.420 24.138 10.741 394 HB3 GLU 52 HB2 GLU 52 -2.350 24.745 12.147 395 HG2 GLU 52 HG1 GLU 52 -0.075 25.174 12.612 396 HG3 GLU 52 HG2 GLU 52 -0.575 23.837 13.655 397 H VAL 53 H VAL 53 -3.548 22.557 14.159 398 HA VAL 53 HA VAL 53 -6.259 23.206 13.052 399 HB VAL 53 HB VAL 53 -5.647 20.961 15.038 400 HG11 VAL 53 HG11 VAL 53 -7.800 22.058 15.530 401 HG12 VAL 53 HG12 VAL 53 -8.289 21.905 13.828 402 HG13 VAL 53 HG13 VAL 53 -8.081 20.459 14.840 403 HG21 VAL 53 HG21 VAL 53 -6.625 20.780 12.155 404 HG22 VAL 53 HG22 VAL 53 -5.058 20.216 12.776 405 HG23 VAL 53 HG23 VAL 53 -6.542 19.425 13.303 406 H GLU 54 H GLU 54 -6.885 24.987 14.075 407 HA GLU 54 HA GLU 54 -7.043 26.752 15.515 408 HB2 GLU 54 HB1 GLU 54 -6.040 24.980 17.748 409 HB3 GLU 54 HB2 GLU 54 -6.919 26.512 17.908 410 HG2 GLU 54 HG1 GLU 54 -8.966 25.538 17.561 411 HG3 GLU 54 HG2 GLU 54 -8.324 24.221 16.559 412 H GLY 55 H GLY 55 -4.214 25.447 14.568 413 HA2 GLY 55 HA3 GLY 55 -2.101 26.621 14.408 414 HA3 GLY 55 HA2 GLY 55 -2.438 27.374 15.983 415 H LYS 56 H LYS 56 -3.413 24.353 16.688 416 HA LYS 56 HA LYS 56 -0.866 23.462 17.807 417 HB2 LYS 56 HB1 LYS 56 -3.636 22.196 17.695 418 HB3 LYS 56 HB2 LYS 56 -2.272 21.615 18.660 419 HG2 LYS 56 HG1 LYS 56 -2.672 23.086 20.324 420 HG3 LYS 56 HG2 LYS 56 -2.974 24.437 19.205 421 HD2 LYS 56 HD1 LYS 56 -5.006 24.197 20.253 422 HD3 LYS 56 HD2 LYS 56 -5.238 23.309 18.736 423 HE2 LYS 56 HE1 LYS 56 -4.836 21.174 19.977 424 HE3 LYS 56 HE2 LYS 56 -4.725 22.121 21.480 425 HZ1 LYS 56 HZ1 LYS 56 -7.021 21.409 21.245 426 HZ2 LYS 56 HZ2 LYS 56 -7.089 21.923 19.672 427 HZ3 LYS 56 HZ3 LYS 56 -7.015 23.010 20.775 428 H LYS 57 H LYS 57 0.428 21.816 16.966 429 HA LYS 57 HA LYS 57 -0.055 20.965 14.203 430 HB2 LYS 57 HB1 LYS 57 2.145 20.076 16.097 431 HB3 LYS 57 HB2 LYS 57 2.073 19.883 14.327 432 HG2 LYS 57 HG1 LYS 57 1.915 22.475 14.275 433 HG3 LYS 57 HG2 LYS 57 2.460 22.413 15.969 434 HD2 LYS 57 HD1 LYS 57 4.299 22.877 14.438 435 HD3 LYS 57 HD2 LYS 57 4.541 21.347 15.299 436 HE2 LYS 57 HE1 LYS 57 5.262 21.232 12.945 437 HE3 LYS 57 HE2 LYS 57 3.952 20.089 13.282 438 HZ1 LYS 57 HZ1 LYS 57 2.417 21.596 12.175 439 HZ2 LYS 57 HZ2 LYS 57 3.684 21.381 11.159 440 HZ3 LYS 57 HZ3 LYS 57 3.452 22.755 12.041 441 H VAL 58 H VAL 58 -1.068 19.174 13.552 442 HA VAL 58 HA VAL 58 -1.585 16.881 15.408 443 HB VAL 58 HB VAL 58 -3.553 18.388 13.658 444 HG11 VAL 58 HG11 VAL 58 -4.005 15.829 15.245 445 HG12 VAL 58 HG12 VAL 58 -5.307 16.851 14.597 446 HG13 VAL 58 HG13 VAL 58 -4.196 16.064 13.487 447 HG21 VAL 58 HG21 VAL 58 -4.778 18.776 15.805 448 HG22 VAL 58 HG22 VAL 58 -3.444 18.002 16.683 449 HG23 VAL 58 HG23 VAL 58 -3.185 19.524 15.804 450 H MET 59 H MET 59 -2.094 14.861 14.247 451 HA MET 59 HA MET 59 -1.471 14.825 11.345 452 HB2 MET 59 HB1 MET 59 -0.234 13.061 13.467 453 HB3 MET 59 HB2 MET 59 -0.330 12.566 11.758 454 HG2 MET 59 HG1 MET 59 1.139 14.172 11.039 455 HG3 MET 59 HG2 MET 59 0.819 15.275 12.379 456 HE1 MET 59 HE1 MET 59 1.200 13.749 14.990 457 HE2 MET 59 HE2 MET 59 2.924 14.055 15.283 458 HE3 MET 59 HE3 MET 59 1.893 15.336 14.598 459 H GLY 60 H GLY 60 -2.462 13.079 10.198 460 HA2 GLY 60 HA3 GLY 60 -4.426 11.397 11.566 461 HA3 GLY 60 HA2 GLY 60 -5.125 12.659 10.527 462 H MET 61 H MET 61 -5.925 10.395 9.709 463 HA MET 61 HA MET 61 -4.304 9.600 7.350 464 HB2 MET 61 HB1 MET 61 -5.705 7.600 9.159 465 HB3 MET 61 HB2 MET 61 -4.708 7.262 7.719 466 HG2 MET 61 HG1 MET 61 -3.223 6.772 9.392 467 HG3 MET 61 HG2 MET 61 -2.819 8.456 9.075 468 HE1 MET 61 HE1 MET 61 -2.139 8.729 12.787 469 HE2 MET 61 HE2 MET 61 -1.509 7.758 11.434 470 HE3 MET 61 HE3 MET 61 -1.863 9.490 11.203 471 H ARG 62 H ARG 62 -5.636 8.492 5.703 472 HA ARG 62 HA ARG 62 -8.557 8.811 5.797 473 HB2 ARG 62 HB1 ARG 62 -6.997 11.060 5.201 474 HB3 ARG 62 HB2 ARG 62 -7.414 10.436 3.595 475 HG2 ARG 62 HG1 ARG 62 -9.795 10.578 4.127 476 HG3 ARG 62 HG2 ARG 62 -9.420 11.107 5.786 477 HD2 ARG 62 HD1 ARG 62 -10.057 12.993 4.264 478 HD3 ARG 62 HD2 ARG 62 -8.429 13.160 4.977 479 HE ARG 62 HE ARG 62 -7.436 12.672 2.863 480 HH11 ARG 62 HH12 ARG 62 -10.949 12.759 2.397 481 HH12 ARG 62 HH11 ARG 62 -10.746 12.863 0.666 482 HH21 ARG 62 HH22 ARG 62 -7.264 12.650 0.869 483 HH22 ARG 62 HH21 ARG 62 -8.619 12.764 -0.249 484 HA PRO 63 HA PRO 63 -7.685 6.021 2.241 485 HB2 PRO 63 HB1 PRO 63 -10.242 5.606 1.344 486 HB3 PRO 63 HB2 PRO 63 -9.465 4.635 2.607 487 HG2 PRO 63 HG1 PRO 63 -11.365 6.910 2.904 488 HG3 PRO 63 HG2 PRO 63 -11.277 5.423 3.882 489 HD2 PRO 63 HD1 PRO 63 -10.310 7.896 4.685 490 HD3 PRO 63 HD2 PRO 63 -9.588 6.360 5.239 491 H VAL 64 H VAL 64 -7.531 6.403 0.057 492 HA VAL 64 HA VAL 64 -8.438 9.082 -0.948 493 HB VAL 64 HB VAL 64 -6.225 9.009 -2.302 494 HG11 VAL 64 HG11 VAL 64 -5.025 10.193 -0.508 495 HG12 VAL 64 HG12 VAL 64 -6.720 10.687 -0.639 496 HG13 VAL 64 HG13 VAL 64 -6.221 9.588 0.666 497 HG21 VAL 64 HG21 VAL 64 -5.276 7.269 0.000 498 HG22 VAL 64 HG22 VAL 64 -5.534 6.701 -1.669 499 HG23 VAL 64 HG23 VAL 64 -4.310 7.937 -1.326 500 HA PRO 65 HA PRO 65 -9.707 6.841 -4.553 501 HB2 PRO 65 HB1 PRO 65 -9.550 8.667 -6.565 502 HB3 PRO 65 HB2 PRO 65 -10.727 8.816 -5.225 503 HG2 PRO 65 HG1 PRO 65 -8.008 10.143 -5.460 504 HG3 PRO 65 HG2 PRO 65 -9.585 10.922 -5.081 505 HD2 PRO 65 HD1 PRO 65 -7.844 10.179 -3.114 506 HD3 PRO 65 HD2 PRO 65 -9.612 9.995 -2.902 507 H PHE 66 H PHE 66 -6.419 8.270 -4.524 508 HA PHE 66 HA PHE 66 -5.283 6.005 -5.665 509 HB2 PHE 66 HB1 PHE 66 -4.411 6.865 -7.794 510 HB3 PHE 66 HB2 PHE 66 -6.143 6.587 -7.808 511 HD1 PHE 66 HD1 PHE 66 -3.479 9.164 -7.870 512 HD2 PHE 66 HD2 PHE 66 -7.705 8.382 -8.195 513 HE1 PHE 66 HE1 PHE 66 -3.806 11.392 -8.904 514 HE2 PHE 66 HE2 PHE 66 -8.038 10.625 -9.202 515 HZ PHE 66 HZ PHE 66 -6.081 12.129 -9.572 516 H LEU 67 H LEU 67 -3.046 6.226 -6.177 517 HA LEU 67 HA LEU 67 -1.638 8.735 -5.416 518 HB2 LEU 67 HB1 LEU 67 -0.977 5.853 -4.866 519 HB3 LEU 67 HB2 LEU 67 0.366 6.850 -5.466 520 HG LEU 67 HG LEU 67 -1.239 7.306 -2.923 521 HD11 LEU 67 HD11 LEU 67 1.659 6.547 -3.586 522 HD12 LEU 67 HD12 LEU 67 0.429 5.439 -2.926 523 HD13 LEU 67 HD13 LEU 67 1.035 6.782 -1.944 524 HD21 LEU 67 HD21 LEU 67 -0.627 9.526 -3.711 525 HD22 LEU 67 HD22 LEU 67 0.975 8.963 -4.252 526 HD23 LEU 67 HD23 LEU 67 0.596 9.075 -2.528 527 H GLU 68 H GLU 68 0.507 8.836 -6.810 528 HA GLU 68 HA GLU 68 0.454 7.404 -9.255 529 HB2 GLU 68 HB1 GLU 68 -0.258 8.817 -10.862 530 HB3 GLU 68 HB2 GLU 68 -1.438 9.140 -9.594 531 HG2 GLU 68 HG1 GLU 68 -0.138 11.216 -9.013 532 HG3 GLU 68 HG2 GLU 68 0.930 10.869 -10.395 533 H VAL 69 H VAL 69 2.043 8.174 -10.885 534 HA VAL 69 HA VAL 69 4.470 9.116 -9.521 535 HB VAL 69 HB VAL 69 4.457 6.353 -10.815 536 HG11 VAL 69 HG11 VAL 69 6.190 7.540 -8.627 537 HG12 VAL 69 HG12 VAL 69 6.353 5.900 -9.304 538 HG13 VAL 69 HG13 VAL 69 6.653 7.301 -10.323 539 HG21 VAL 69 HG21 VAL 69 4.187 5.199 -8.661 540 HG22 VAL 69 HG22 VAL 69 3.742 6.741 -7.893 541 HG23 VAL 69 HG23 VAL 69 2.722 6.027 -9.164 542 HA PRO 70 HA PRO 70 5.497 9.831 -13.891 543 HB2 PRO 70 HB1 PRO 70 8.148 10.457 -13.703 544 HB3 PRO 70 HB2 PRO 70 6.842 11.572 -13.204 545 HG2 PRO 70 HG1 PRO 70 8.433 9.668 -11.449 546 HG3 PRO 70 HG2 PRO 70 8.140 11.424 -11.182 547 HD2 PRO 70 HD1 PRO 70 6.598 9.530 -9.978 548 HD3 PRO 70 HD2 PRO 70 5.874 11.042 -10.604 549 HA PRO 71 HA PRO 71 7.812 6.118 -15.278 550 HB2 PRO 71 HB1 PRO 71 9.288 7.196 -17.338 551 HB3 PRO 71 HB2 PRO 71 7.591 6.622 -17.408 552 HG2 PRO 71 HG1 PRO 71 8.605 9.426 -17.251 553 HG3 PRO 71 HG2 PRO 71 7.136 8.776 -18.086 554 HD2 PRO 71 HD1 PRO 71 7.105 10.087 -15.649 555 HD3 PRO 71 HD2 PRO 71 5.869 8.928 -16.191 556 H LYS 72 H LYS 72 9.784 5.155 -15.014 557 HA LYS 72 HA LYS 72 11.824 4.729 -14.192 558 HB2 LYS 72 HB1 LYS 72 12.533 7.640 -14.508 559 HB3 LYS 72 HB2 LYS 72 13.628 6.244 -14.496 560 HG2 LYS 72 HG1 LYS 72 11.563 6.917 -16.626 561 HG3 LYS 72 HG2 LYS 72 13.321 7.125 -16.732 562 HD2 LYS 72 HD1 LYS 72 13.656 4.711 -16.757 563 HD3 LYS 72 HD2 LYS 72 11.930 4.423 -16.392 564 HE2 LYS 72 HE1 LYS 72 11.263 5.444 -18.492 565 HE3 LYS 72 HE2 LYS 72 12.940 5.808 -18.913 566 HZ1 LYS 72 HZ1 LYS 72 11.815 3.088 -18.541 567 HZ2 LYS 72 HZ2 LYS 72 13.354 3.435 -19.024 568 HZ3 LYS 72 HZ3 LYS 72 12.080 3.823 -19.983 569 H GLY 73 H GLY 73 9.711 6.506 -12.517 570 HA2 GLY 73 HA3 GLY 73 11.292 7.109 -10.130 571 HA3 GLY 73 HA2 GLY 73 9.545 7.361 -10.349 572 H ARG 74 H ARG 74 11.855 5.622 -8.870 573 HA ARG 74 HA ARG 74 9.961 3.497 -8.040 574 HB2 ARG 74 HB1 ARG 74 11.528 2.200 -7.117 575 HB3 ARG 74 HB2 ARG 74 12.371 2.896 -8.514 576 HG2 ARG 74 HG1 ARG 74 14.019 2.953 -6.983 577 HG3 ARG 74 HG2 ARG 74 13.374 4.550 -6.694 578 HD2 ARG 74 HD1 ARG 74 12.219 2.279 -5.074 579 HD3 ARG 74 HD2 ARG 74 13.922 2.713 -4.761 580 HE ARG 74 HE ARG 74 12.268 5.054 -4.774 581 HH11 ARG 74 HH12 ARG 74 12.918 2.220 -2.688 582 HH12 ARG 74 HH11 ARG 74 12.644 3.173 -1.241 583 HH21 ARG 74 HH22 ARG 74 11.990 6.151 -2.818 584 HH22 ARG 74 HH21 ARG 74 12.077 5.270 -1.303 585 H VAL 75 H VAL 75 8.869 3.512 -6.166 586 HA VAL 75 HA VAL 75 9.135 5.808 -4.302 587 HB VAL 75 HB VAL 75 6.850 6.598 -4.684 588 HG11 VAL 75 HG11 VAL 75 7.260 7.957 -6.612 589 HG12 VAL 75 HG12 VAL 75 8.793 7.726 -5.767 590 HG13 VAL 75 HG13 VAL 75 8.456 6.815 -7.258 591 HG21 VAL 75 HG21 VAL 75 5.845 4.582 -5.709 592 HG22 VAL 75 HG22 VAL 75 5.591 6.021 -6.692 593 HG23 VAL 75 HG23 VAL 75 6.822 4.831 -7.171 594 H GLU 76 H GLU 76 7.446 5.825 -2.624 595 HA GLU 76 HA GLU 76 7.528 3.048 -1.514 596 HB2 GLU 76 HB1 GLU 76 9.673 4.211 -1.600 597 HB3 GLU 76 HB2 GLU 76 8.950 5.651 -0.852 598 HG2 GLU 76 HG1 GLU 76 8.540 4.024 1.181 599 HG3 GLU 76 HG2 GLU 76 9.797 3.043 0.392 600 H LEU 77 H LEU 77 5.649 2.697 -0.432 601 HA LEU 77 HA LEU 77 4.027 4.917 0.611 602 HB2 LEU 77 HB1 LEU 77 3.676 1.926 0.347 603 HB3 LEU 77 HB2 LEU 77 2.590 2.906 1.363 604 HG LEU 77 HG LEU 77 2.216 4.342 -0.753 605 HD11 LEU 77 HD11 LEU 77 3.948 3.491 -2.224 606 HD12 LEU 77 HD12 LEU 77 2.372 3.075 -2.893 607 HD13 LEU 77 HD13 LEU 77 3.336 1.833 -2.067 608 HD21 LEU 77 HD21 LEU 77 0.461 3.017 0.224 609 HD22 LEU 77 HD22 LEU 77 1.104 1.527 -0.487 610 HD23 LEU 77 HD23 LEU 77 0.429 2.794 -1.528 611 H LYS 78 H LYS 78 5.395 5.827 2.117 612 HA LYS 78 HA LYS 78 6.476 4.252 4.311 613 HB2 LYS 78 HB1 LYS 78 7.259 6.303 5.249 614 HB3 LYS 78 HB2 LYS 78 7.747 6.162 3.576 615 HG2 LYS 78 HG1 LYS 78 5.323 7.768 4.414 616 HG3 LYS 78 HG2 LYS 78 6.956 8.452 4.554 617 HD2 LYS 78 HD1 LYS 78 5.736 7.526 1.937 618 HD3 LYS 78 HD2 LYS 78 5.689 9.207 2.592 619 HE2 LYS 78 HE1 LYS 78 7.519 9.408 1.270 620 HE3 LYS 78 HE2 LYS 78 8.288 8.874 2.777 621 HZ1 LYS 78 HZ1 LYS 78 7.534 6.952 0.662 622 HZ2 LYS 78 HZ2 LYS 78 8.615 6.747 1.889 623 HZ3 LYS 78 HZ3 LYS 78 9.009 7.710 0.694 624 HA PRO 79 HA PRO 79 2.750 4.169 6.728 625 HB2 PRO 79 HB1 PRO 79 3.706 4.250 9.338 626 HB3 PRO 79 HB2 PRO 79 3.670 2.798 8.290 627 HG2 PRO 79 HG1 PRO 79 5.980 4.682 8.789 628 HG3 PRO 79 HG2 PRO 79 5.991 2.882 8.757 629 HD2 PRO 79 HD1 PRO 79 6.801 4.326 6.608 630 HD3 PRO 79 HD2 PRO 79 5.821 2.844 6.389 631 H GLY 80 H GLY 80 5.119 6.695 7.778 632 HA2 GLY 80 HA3 GLY 80 2.961 8.621 8.327 633 HA3 GLY 80 HA2 GLY 80 4.713 8.917 8.395 634 H GLY 81 H GLY 81 2.269 7.924 5.973 635 HA2 GLY 81 HA3 GLY 81 2.561 10.139 4.219 636 HA3 GLY 81 HA2 GLY 81 3.640 8.835 3.670 637 H TYR 82 H TYR 82 2.481 6.613 3.597 638 HA TYR 82 HA TYR 82 -0.269 6.647 2.531 639 HB2 TYR 82 HB1 TYR 82 2.093 6.041 0.733 640 HB3 TYR 82 HB2 TYR 82 0.378 5.912 0.311 641 HD1 TYR 82 HD1 TYR 82 -1.029 8.022 0.225 642 HD2 TYR 82 HD2 TYR 82 3.259 8.108 0.641 643 HE1 TYR 82 HE1 TYR 82 -1.052 10.488 -0.136 644 HE2 TYR 82 HE2 TYR 82 3.257 10.564 0.300 645 HH TYR 82 HH TYR 82 0.222 12.410 -0.147 646 H HIS 83 H HIS 83 -1.151 4.526 2.503 647 HA HIS 83 HA HIS 83 0.495 2.170 2.723 648 HB2 HIS 83 HB1 HIS 83 -0.009 1.538 5.003 649 HB3 HIS 83 HB2 HIS 83 0.895 3.047 5.015 650 HD1 HIS 83 HD1 HIS 83 -0.507 5.254 5.946 651 HD2 HIS 83 HD2 HIS 83 -2.485 1.538 5.953 652 HE1 HIS 83 HE1 HIS 83 -2.598 5.552 7.337 653 H PHE 84 H PHE 84 -0.914 0.201 3.190 654 HA PHE 84 HA PHE 84 -3.686 0.641 2.171 655 HB2 PHE 84 HB1 PHE 84 -1.834 -1.752 2.285 656 HB3 PHE 84 HB2 PHE 84 -3.595 -1.926 2.082 657 HD1 PHE 84 HD2 PHE 84 -4.599 -0.291 0.178 658 HD2 PHE 84 HD1 PHE 84 -0.568 -1.813 0.297 659 HE1 PHE 84 HE2 PHE 84 -4.459 -0.097 -2.278 660 HE2 PHE 84 HE1 PHE 84 -0.416 -1.551 -2.177 661 HZ PHE 84 HZ PHE 84 -2.342 -0.628 -3.450 662 H MET 85 H MET 85 -5.344 0.342 3.491 663 HA MET 85 HA MET 85 -5.077 -1.087 6.107 664 HB2 MET 85 HB1 MET 85 -7.265 0.418 4.656 665 HB3 MET 85 HB2 MET 85 -7.706 -0.823 5.855 666 HG2 MET 85 HG1 MET 85 -5.902 1.549 6.419 667 HG3 MET 85 HG2 MET 85 -7.641 1.450 6.805 668 HE1 MET 85 HE1 MET 85 -4.516 1.618 8.514 669 HE2 MET 85 HE2 MET 85 -4.171 0.032 9.254 670 HE3 MET 85 HE3 MET 85 -4.071 0.254 7.484 671 H LEU 86 H LEU 86 -5.394 -3.208 6.250 672 HA LEU 86 HA LEU 86 -6.759 -4.667 4.012 673 HB2 LEU 86 HB1 LEU 86 -5.039 -5.781 6.258 674 HB3 LEU 86 HB2 LEU 86 -5.798 -6.702 4.948 675 HG LEU 86 HG LEU 86 -3.404 -4.843 4.845 676 HD11 LEU 86 HD11 LEU 86 -3.833 -7.759 4.038 677 HD12 LEU 86 HD12 LEU 86 -3.006 -7.195 5.506 678 HD13 LEU 86 HD13 LEU 86 -2.307 -6.872 3.910 679 HD21 LEU 86 HD21 LEU 86 -4.673 -4.260 2.866 680 HD22 LEU 86 HD22 LEU 86 -4.920 -5.979 2.459 681 HD23 LEU 86 HD23 LEU 86 -3.297 -5.253 2.387 682 H LEU 87 H LEU 87 -8.653 -5.722 4.507 683 HA LEU 87 HA LEU 87 -9.651 -5.690 7.320 684 HB2 LEU 87 HB1 LEU 87 -10.641 -4.263 4.879 685 HB3 LEU 87 HB2 LEU 87 -11.891 -5.031 5.872 686 HG LEU 87 HG LEU 87 -9.803 -3.253 7.166 687 HD11 LEU 87 HD11 LEU 87 -10.704 -1.894 5.331 688 HD12 LEU 87 HD12 LEU 87 -11.317 -1.325 6.896 689 HD13 LEU 87 HD13 LEU 87 -12.367 -2.286 5.827 690 HD21 LEU 87 HD21 LEU 87 -11.422 -4.687 8.517 691 HD22 LEU 87 HD22 LEU 87 -12.749 -3.760 7.806 692 HD23 LEU 87 HD23 LEU 87 -11.552 -2.944 8.833 693 H GLY 88 H GLY 88 -10.709 -7.453 7.948 694 HA2 GLY 88 HA3 GLY 88 -11.800 -9.480 7.893 695 HA3 GLY 88 HA2 GLY 88 -12.321 -9.112 6.233 696 H LEU 89 H LEU 89 -8.990 -9.441 7.560 697 HA LEU 89 HA LEU 89 -8.214 -10.883 5.228 698 HB2 LEU 89 HB1 LEU 89 -6.012 -11.196 6.426 699 HB3 LEU 89 HB2 LEU 89 -6.519 -9.629 5.785 700 HG LEU 89 HG LEU 89 -7.151 -10.099 8.676 701 HD11 LEU 89 HD11 LEU 89 -4.986 -11.253 8.403 702 HD12 LEU 89 HD12 LEU 89 -4.799 -9.769 9.348 703 HD13 LEU 89 HD13 LEU 89 -4.296 -9.804 7.642 704 HD21 LEU 89 HD21 LEU 89 -5.729 -7.849 7.178 705 HD22 LEU 89 HD22 LEU 89 -6.297 -7.803 8.854 706 HD23 LEU 89 HD23 LEU 89 -7.468 -7.891 7.521 707 H LYS 90 H LYS 90 -9.455 -12.529 5.006 708 HA LYS 90 HA LYS 90 -9.664 -14.794 6.672 709 HB2 LYS 90 HB1 LYS 90 -10.661 -15.838 4.588 710 HB3 LYS 90 HB2 LYS 90 -11.407 -14.347 5.238 711 HG2 LYS 90 HG1 LYS 90 -10.283 -13.043 3.438 712 HG3 LYS 90 HG2 LYS 90 -9.642 -14.546 2.752 713 HD2 LYS 90 HD1 LYS 90 -11.872 -15.383 2.316 714 HD3 LYS 90 HD2 LYS 90 -12.608 -14.064 3.276 715 HE2 LYS 90 HE1 LYS 90 -11.746 -12.434 1.606 716 HE3 LYS 90 HE2 LYS 90 -11.213 -13.758 0.584 717 HZ1 LYS 90 HZ1 LYS 90 -13.572 -14.443 0.406 718 HZ2 LYS 90 HZ2 LYS 90 -13.530 -12.789 0.159 719 HZ3 LYS 90 HZ3 LYS 90 -13.999 -13.317 1.542 720 H ARG 91 H ARG 91 -6.875 -13.943 5.288 721 HA ARG 91 HA ARG 91 -5.959 -16.526 6.357 722 HB2 ARG 91 HB1 ARG 91 -4.614 -15.102 4.056 723 HB3 ARG 91 HB2 ARG 91 -3.830 -16.356 5.036 724 HG2 ARG 91 HG1 ARG 91 -6.350 -16.750 3.370 725 HG3 ARG 91 HG2 ARG 91 -4.696 -17.202 2.874 726 HD2 ARG 91 HD1 ARG 91 -4.549 -18.738 4.801 727 HD3 ARG 91 HD2 ARG 91 -6.198 -18.336 5.280 728 HE ARG 91 HE ARG 91 -5.318 -19.977 2.993 729 HH11 ARG 91 HH12 ARG 91 -8.131 -18.423 4.511 730 HH12 ARG 91 HH11 ARG 91 -9.240 -19.565 3.823 731 HH21 ARG 91 HH22 ARG 91 -6.811 -21.400 2.129 732 HH22 ARG 91 HH21 ARG 91 -8.505 -21.218 2.462 733 HA PRO 92 HA PRO 92 -4.333 -13.150 9.022 734 HB2 PRO 92 HB1 PRO 92 -3.921 -14.661 11.258 735 HB3 PRO 92 HB2 PRO 92 -5.514 -13.987 10.808 736 HG2 PRO 92 HG1 PRO 92 -4.456 -16.775 10.297 737 HG3 PRO 92 HG2 PRO 92 -6.062 -16.296 10.956 738 HD2 PRO 92 HD1 PRO 92 -5.700 -16.929 8.323 739 HD3 PRO 92 HD2 PRO 92 -6.830 -15.636 8.823 740 H LEU 93 H LEU 93 -2.199 -12.623 9.492 741 HA LEU 93 HA LEU 93 -0.146 -14.309 8.234 742 HB2 LEU 93 HB1 LEU 93 0.007 -11.549 9.495 743 HB3 LEU 93 HB2 LEU 93 1.325 -12.374 8.618 744 HG LEU 93 HG LEU 93 0.604 -10.907 7.054 745 HD11 LEU 93 HD11 LEU 93 0.418 -13.246 6.125 746 HD12 LEU 93 HD12 LEU 93 -0.544 -12.027 5.271 747 HD13 LEU 93 HD13 LEU 93 -1.334 -13.159 6.385 748 HD21 LEU 93 HD21 LEU 93 -2.320 -11.326 7.778 749 HD22 LEU 93 HD22 LEU 93 -1.660 -10.161 6.618 750 HD23 LEU 93 HD23 LEU 93 -1.297 -9.987 8.341 751 H LYS 94 H LYS 94 1.218 -15.616 9.205 752 HA LYS 94 HA LYS 94 1.177 -15.833 12.183 753 HB2 LYS 94 HB1 LYS 94 2.245 -17.656 9.993 754 HB3 LYS 94 HB2 LYS 94 2.163 -18.069 11.716 755 HG2 LYS 94 HG1 LYS 94 -0.071 -18.512 11.643 756 HG3 LYS 94 HG2 LYS 94 -0.426 -17.256 10.453 757 HD2 LYS 94 HD1 LYS 94 1.129 -19.075 9.006 758 HD3 LYS 94 HD2 LYS 94 0.165 -20.122 10.072 759 HE2 LYS 94 HE1 LYS 94 -1.187 -19.811 8.120 760 HE3 LYS 94 HE2 LYS 94 -1.866 -18.706 9.339 761 HZ1 LYS 94 HZ1 LYS 94 -0.095 -17.108 8.204 762 HZ2 LYS 94 HZ2 LYS 94 -1.579 -17.264 7.530 763 HZ3 LYS 94 HZ3 LYS 94 -0.205 -18.062 6.980 764 H ALA 95 H ALA 95 3.311 -15.398 9.563 765 HA ALA 95 HA ALA 95 5.087 -13.670 9.748 766 HB1 ALA 95 HB1 ALA 95 6.934 -13.974 11.321 767 HB2 ALA 95 HB2 ALA 95 5.420 -13.829 12.221 768 HB3 ALA 95 HB3 ALA 95 6.169 -15.424 11.995 769 H GLY 96 H GLY 96 7.129 -13.944 8.661 770 HA2 GLY 96 HA3 GLY 96 8.538 -14.957 7.174 771 HA3 GLY 96 HA2 GLY 96 8.294 -16.452 8.105 772 H GLU 97 H GLU 97 5.851 -14.620 6.184 773 HA GLU 97 HA GLU 97 5.549 -16.955 4.354 774 HB2 GLU 97 HB1 GLU 97 3.364 -15.153 5.466 775 HB3 GLU 97 HB2 GLU 97 3.139 -16.485 4.314 776 HG2 GLU 97 HG1 GLU 97 3.887 -18.093 6.037 777 HG3 GLU 97 HG2 GLU 97 4.088 -16.759 7.193 778 H GLU 98 H GLU 98 3.900 -15.825 2.501 779 HA GLU 98 HA GLU 98 4.842 -13.149 1.814 780 HB2 GLU 98 HB1 GLU 98 5.527 -13.721 -0.424 781 HB3 GLU 98 HB2 GLU 98 6.519 -14.580 0.773 782 HG2 GLU 98 HG1 GLU 98 5.134 -16.628 0.357 783 HG3 GLU 98 HG2 GLU 98 4.242 -15.742 -0.896 784 H VAL 99 H VAL 99 3.662 -12.242 0.037 785 HA VAL 99 HA VAL 99 0.793 -13.131 -0.001 786 HB VAL 99 HB VAL 99 1.991 -10.379 0.547 787 HG11 VAL 99 HG11 VAL 99 0.111 -9.941 -0.919 788 HG12 VAL 99 HG12 VAL 99 -0.882 -11.158 -0.074 789 HG13 VAL 99 HG13 VAL 99 -0.450 -9.640 0.720 790 HG21 VAL 99 HG21 VAL 99 1.954 -11.822 2.520 791 HG22 VAL 99 HG22 VAL 99 0.669 -10.625 2.678 792 HG23 VAL 99 HG23 VAL 99 0.274 -12.284 2.205 793 H GLU 100 H GLU 100 0.173 -13.474 -1.912 794 HA GLU 100 HA GLU 100 1.038 -12.234 -4.411 795 HB2 GLU 100 HB1 GLU 100 -1.089 -14.096 -3.417 796 HB3 GLU 100 HB2 GLU 100 -1.502 -13.178 -4.873 797 HG2 GLU 100 HG1 GLU 100 1.147 -14.596 -4.780 798 HG3 GLU 100 HG2 GLU 100 -0.345 -15.549 -5.016 799 H LEU 101 H LEU 101 0.303 -10.378 -5.311 800 HA LEU 101 HA LEU 101 -2.162 -9.056 -4.375 801 HB2 LEU 101 HB1 LEU 101 0.561 -8.389 -3.497 802 HB3 LEU 101 HB2 LEU 101 -0.291 -6.996 -4.195 803 HG LEU 101 HG LEU 101 -1.490 -8.638 -1.997 804 HD11 LEU 101 HD11 LEU 101 0.638 -7.712 -1.266 805 HD12 LEU 101 HD12 LEU 101 -0.738 -6.890 -0.499 806 HD13 LEU 101 HD13 LEU 101 0.145 -6.102 -1.852 807 HD21 LEU 101 HD21 LEU 101 -2.992 -7.090 -3.406 808 HD22 LEU 101 HD22 LEU 101 -1.957 -5.752 -2.886 809 HD23 LEU 101 HD23 LEU 101 -2.907 -6.643 -1.691 810 H ASP 102 H ASP 102 -3.187 -8.223 -5.993 811 HA ASP 102 HA ASP 102 -1.905 -7.507 -8.589 812 HB2 ASP 102 HB1 ASP 102 -4.746 -7.711 -7.581 813 HB3 ASP 102 HB2 ASP 102 -4.340 -7.032 -9.163 814 H LEU 103 H LEU 103 -0.882 -5.494 -8.414 815 HA LEU 103 HA LEU 103 -2.136 -3.279 -6.968 816 HB2 LEU 103 HB1 LEU 103 0.240 -3.309 -8.852 817 HB3 LEU 103 HB2 LEU 103 -0.173 -2.038 -7.692 818 HG LEU 103 HG LEU 103 0.757 -4.879 -7.060 819 HD11 LEU 103 HD11 LEU 103 2.504 -3.391 -7.923 820 HD12 LEU 103 HD12 LEU 103 2.761 -3.746 -6.208 821 HD13 LEU 103 HD13 LEU 103 2.095 -2.171 -6.696 822 HD21 LEU 103 HD21 LEU 103 0.845 -4.163 -4.695 823 HD22 LEU 103 HD22 LEU 103 -0.807 -4.165 -5.303 824 HD23 LEU 103 HD23 LEU 103 0.062 -2.621 -5.125 825 H LEU 104 H LEU 104 -3.676 -2.003 -7.761 826 HA LEU 104 HA LEU 104 -4.514 -2.367 -10.572 827 HB2 LEU 104 HB1 LEU 104 -5.926 -0.900 -8.323 828 HB3 LEU 104 HB2 LEU 104 -6.634 -1.459 -9.844 829 HG LEU 104 HG LEU 104 -5.725 -3.110 -7.503 830 HD11 LEU 104 HD11 LEU 104 -7.856 -1.950 -7.176 831 HD12 LEU 104 HD12 LEU 104 -8.092 -3.702 -7.268 832 HD13 LEU 104 HD13 LEU 104 -8.495 -2.680 -8.667 833 HD21 LEU 104 HD21 LEU 104 -6.849 -4.075 -10.171 834 HD22 LEU 104 HD22 LEU 104 -6.665 -5.095 -8.727 835 HD23 LEU 104 HD23 LEU 104 -5.235 -4.421 -9.507 836 H PHE 105 H PHE 105 -4.217 -0.853 -12.125 837 HA PHE 105 HA PHE 105 -3.512 1.889 -11.234 838 HB2 PHE 105 HB1 PHE 105 -2.434 0.206 -13.501 839 HB3 PHE 105 HB2 PHE 105 -2.027 1.898 -13.312 840 HD1 PHE 105 HD2 PHE 105 -0.790 2.589 -11.138 841 HD2 PHE 105 HD1 PHE 105 -1.262 -1.521 -12.348 842 HE1 PHE 105 HE2 PHE 105 1.062 1.930 -9.620 843 HE2 PHE 105 HE1 PHE 105 0.560 -2.161 -10.824 844 HZ PHE 105 HZ PHE 105 1.744 -0.450 -9.467 845 H ALA 106 H ALA 106 -4.346 3.643 -12.270 846 HA ALA 106 HA ALA 106 -6.847 3.391 -13.626 847 HB1 ALA 106 HB1 ALA 106 -6.274 5.288 -12.173 848 HB2 ALA 106 HB2 ALA 106 -4.994 5.781 -13.304 849 HB3 ALA 106 HB3 ALA 106 -6.704 5.857 -13.794 850 H GLY 107 H GLY 107 -6.918 2.425 -15.575 851 HA2 GLY 107 HA3 GLY 107 -7.146 3.030 -17.936 852 HA3 GLY 107 HA2 GLY 107 -5.530 3.768 -17.857 853 H GLY 108 H GLY 108 -7.273 0.665 -17.655 854 HA2 GLY 108 HA3 GLY 108 -6.888 -1.347 -18.627 855 HA3 GLY 108 HA2 GLY 108 -5.647 -0.545 -19.616 856 H LYS 109 H LYS 109 -4.646 -0.185 -16.439 857 HA LYS 109 HA LYS 109 -2.728 -2.437 -16.798 858 HB2 LYS 109 HB1 LYS 109 -2.615 0.403 -15.807 859 HB3 LYS 109 HB2 LYS 109 -1.434 -0.778 -15.182 860 HG2 LYS 109 HG1 LYS 109 -0.360 -1.008 -17.152 861 HG3 LYS 109 HG2 LYS 109 -1.822 -0.750 -18.129 862 HD2 LYS 109 HD1 LYS 109 -0.315 1.044 -18.550 863 HD3 LYS 109 HD2 LYS 109 -1.697 1.677 -17.646 864 HE2 LYS 109 HE1 LYS 109 -0.337 1.683 -15.578 865 HE3 LYS 109 HE2 LYS 109 1.016 0.924 -16.450 866 HZ1 LYS 109 HZ1 LYS 109 -0.133 3.599 -17.029 867 HZ2 LYS 109 HZ2 LYS 109 1.093 2.902 -17.859 868 HZ3 LYS 109 HZ3 LYS 109 1.313 3.341 -16.302 869 H VAL 110 H VAL 110 -2.654 -4.068 -15.393 870 HA VAL 110 HA VAL 110 -2.744 -3.407 -12.552 871 HB VAL 110 HB VAL 110 -4.862 -4.446 -12.846 872 HG11 VAL 110 HG11 VAL 110 -5.241 -6.679 -13.785 873 HG12 VAL 110 HG12 VAL 110 -4.592 -5.580 -15.005 874 HG13 VAL 110 HG13 VAL 110 -3.535 -6.797 -14.254 875 HG21 VAL 110 HG21 VAL 110 -3.533 -5.174 -10.854 876 HG22 VAL 110 HG22 VAL 110 -4.715 -6.382 -11.382 877 HG23 VAL 110 HG23 VAL 110 -2.995 -6.603 -11.755 878 H LEU 111 H LEU 111 -0.993 -4.283 -11.497 879 HA LEU 111 HA LEU 111 0.768 -6.170 -13.032 880 HB2 LEU 111 HB1 LEU 111 1.697 -3.916 -11.224 881 HB3 LEU 111 HB2 LEU 111 2.727 -5.099 -12.057 882 HG LEU 111 HG LEU 111 1.010 -2.971 -13.417 883 HD11 LEU 111 HD11 LEU 111 3.149 -1.845 -13.889 884 HD12 LEU 111 HD12 LEU 111 4.026 -3.091 -12.972 885 HD13 LEU 111 HD13 LEU 111 2.893 -2.003 -12.144 886 HD21 LEU 111 HD21 LEU 111 3.096 -4.882 -14.570 887 HD22 LEU 111 HD22 LEU 111 2.305 -3.559 -15.454 888 HD23 LEU 111 HD23 LEU 111 1.351 -4.934 -14.886 889 H LYS 112 H LYS 112 0.458 -8.066 -12.029 890 HA LYS 112 HA LYS 112 -0.055 -8.177 -9.170 891 HB2 LYS 112 HB1 LYS 112 -1.041 -9.690 -10.965 892 HB3 LYS 112 HB2 LYS 112 0.526 -10.508 -11.004 893 HG2 LYS 112 HG1 LYS 112 0.305 -11.084 -8.618 894 HG3 LYS 112 HG2 LYS 112 -1.189 -10.113 -8.497 895 HD2 LYS 112 HD1 LYS 112 -1.756 -12.468 -8.619 896 HD3 LYS 112 HD2 LYS 112 -2.310 -11.627 -10.086 897 HE2 LYS 112 HE1 LYS 112 -1.363 -13.703 -10.803 898 HE3 LYS 112 HE2 LYS 112 -0.192 -12.445 -11.226 899 HZ1 LYS 112 HZ1 LYS 112 0.841 -13.065 -8.949 900 HZ2 LYS 112 HZ2 LYS 112 1.002 -14.233 -10.126 901 HZ3 LYS 112 HZ3 LYS 112 -0.116 -14.293 -8.908 902 H VAL 113 H VAL 113 1.357 -8.422 -7.571 903 HA VAL 113 HA VAL 113 4.192 -9.213 -8.143 904 HB VAL 113 HB VAL 113 5.009 -7.630 -6.526 905 HG11 VAL 113 HG11 VAL 113 3.289 -6.142 -8.545 906 HG12 VAL 113 HG12 VAL 113 4.766 -5.561 -7.752 907 HG13 VAL 113 HG13 VAL 113 4.853 -6.916 -8.889 908 HG21 VAL 113 HG21 VAL 113 3.647 -5.840 -5.537 909 HG22 VAL 113 HG22 VAL 113 2.176 -6.556 -6.229 910 HG23 VAL 113 HG23 VAL 113 3.099 -7.423 -4.986 911 H VAL 114 H VAL 114 5.339 -10.030 -6.265 912 HA VAL 114 HA VAL 114 3.606 -11.062 -4.093 913 HB VAL 114 HB VAL 114 4.530 -12.919 -5.377 914 HG11 VAL 114 HG11 VAL 114 6.632 -11.880 -6.205 915 HG12 VAL 114 HG12 VAL 114 7.312 -11.977 -4.566 916 HG13 VAL 114 HG13 VAL 114 6.894 -13.455 -5.447 917 HG21 VAL 114 HG21 VAL 114 5.809 -12.700 -2.619 918 HG22 VAL 114 HG22 VAL 114 4.115 -13.139 -2.939 919 HG23 VAL 114 HG23 VAL 114 5.424 -14.190 -3.502 920 H LEU 115 H LEU 115 4.145 -10.412 -2.067 921 HA LEU 115 HA LEU 115 6.768 -9.042 -1.579 922 HB2 LEU 115 HB1 LEU 115 4.057 -8.276 -0.429 923 HB3 LEU 115 HB2 LEU 115 5.610 -7.534 0.003 924 HG LEU 115 HG LEU 115 4.356 -7.427 -2.780 925 HD11 LEU 115 HD11 LEU 115 4.374 -5.348 -0.560 926 HD12 LEU 115 HD12 LEU 115 2.961 -6.275 -1.111 927 HD13 LEU 115 HD13 LEU 115 3.739 -5.134 -2.215 928 HD21 LEU 115 HD21 LEU 115 6.706 -5.916 -1.537 929 HD22 LEU 115 HD22 LEU 115 5.991 -5.573 -3.126 930 HD23 LEU 115 HD23 LEU 115 6.803 -7.116 -2.839 931 HA PRO 116 HA PRO 116 6.790 -12.041 1.793 932 HB2 PRO 116 HB1 PRO 116 8.658 -11.000 3.468 933 HB3 PRO 116 HB2 PRO 116 9.083 -11.689 1.872 934 HG2 PRO 116 HG1 PRO 116 8.601 -8.770 2.558 935 HG3 PRO 116 HG2 PRO 116 10.009 -9.477 1.690 936 HD2 PRO 116 HD1 PRO 116 7.907 -8.388 0.342 937 HD3 PRO 116 HD2 PRO 116 8.716 -9.867 -0.256 938 H VAL 117 H VAL 117 6.186 -12.277 4.020 939 HA VAL 117 HA VAL 117 4.697 -10.047 5.270 940 HB VAL 117 HB VAL 117 5.008 -13.007 5.927 941 HG11 VAL 117 HG11 VAL 117 4.863 -11.829 8.037 942 HG12 VAL 117 HG12 VAL 117 3.417 -10.947 7.478 943 HG13 VAL 117 HG13 VAL 117 3.382 -12.718 7.704 944 HG21 VAL 117 HG21 VAL 117 2.562 -13.053 5.466 945 HG22 VAL 117 HG22 VAL 117 2.612 -11.338 5.027 946 HG23 VAL 117 HG23 VAL 117 3.485 -12.548 4.051 947 H GLU 118 H GLU 118 5.584 -8.911 6.983 948 HA GLU 118 HA GLU 118 7.477 -10.119 8.780 949 HB2 GLU 118 HB1 GLU 118 8.998 -9.427 6.947 950 HB3 GLU 118 HB2 GLU 118 8.453 -7.751 7.125 951 HG2 GLU 118 HG1 GLU 118 10.663 -8.241 8.187 952 HG3 GLU 118 HG2 GLU 118 9.472 -7.591 9.320 953 H ALA 119 H ALA 119 7.805 -8.839 10.642 954 HA ALA 119 HA ALA 119 6.213 -7.910 12.334 955 HB1 ALA 119 HB1 ALA 119 7.777 -6.237 13.074 956 HB2 ALA 119 HB2 ALA 119 8.589 -7.678 12.441 957 HB3 ALA 119 HB3 ALA 119 8.531 -6.210 11.448 958 H ARG 120 H ARG 120 6.989 -4.853 11.540 959 HA ARG 120 HA ARG 120 4.654 -3.932 10.180 960 HB2 ARG 120 HB1 ARG 120 3.598 -4.490 12.353 961 HB3 ARG 120 HB2 ARG 120 4.692 -3.386 13.185 962 HG2 ARG 120 HG1 ARG 120 3.402 -2.060 10.924 963 HG3 ARG 120 HG2 ARG 120 2.173 -2.817 11.951 964 HD2 ARG 120 HD1 ARG 120 2.583 -0.454 12.582 965 HD3 ARG 120 HD2 ARG 120 3.006 -1.570 13.898 966 HE ARG 120 HE ARG 120 5.247 -1.043 12.157 967 HH11 ARG 120 HH12 ARG 120 3.774 0.335 14.989 968 HH12 ARG 120 HH11 ARG 120 5.342 0.683 15.694 969 HH21 ARG 120 HH22 ARG 120 6.999 -0.765 13.017 970 HH22 ARG 120 HH21 ARG 120 7.227 0.130 14.523 Start of MODEL 28 1 H1 GLY 1 1H GLY 1 12.098 -3.777 -11.475 2 H2 GLY 1 2H GLY 1 12.941 -2.833 -12.564 3 H3 GLY 1 3H GLY 1 12.499 -2.231 -11.103 4 HA2 GLY 1 HA3 GLY 1 14.492 -4.326 -11.543 5 HA3 GLY 1 HA2 GLY 1 14.776 -2.669 -10.964 6 H SER 2 H SER 2 15.763 -4.327 -9.237 7 HA SER 2 HA SER 2 15.754 -5.035 -7.058 8 HB2 SER 2 HB1 SER 2 14.462 -2.925 -6.666 9 HB3 SER 2 HB2 SER 2 12.969 -3.879 -6.739 10 HG SER 2 HG SER 2 13.782 -3.589 -4.619 11 H PHE 3 H PHE 3 14.373 -6.372 -5.431 12 HA PHE 3 HA PHE 3 12.810 -8.537 -6.750 13 HB2 PHE 3 HB1 PHE 3 12.830 -9.547 -4.489 14 HB3 PHE 3 HB2 PHE 3 14.458 -9.315 -5.136 15 HD1 PHE 3 HD1 PHE 3 12.003 -8.226 -2.571 16 HD2 PHE 3 HD2 PHE 3 15.994 -7.674 -4.121 17 HE1 PHE 3 HE1 PHE 3 12.619 -6.954 -0.542 18 HE2 PHE 3 HE2 PHE 3 16.600 -6.388 -2.087 19 HZ PHE 3 HZ PHE 3 14.917 -6.027 -0.291 20 H THR 4 H THR 4 12.593 -5.690 -4.916 21 HA THR 4 HA THR 4 10.892 -4.151 -4.880 22 HB THR 4 HB THR 4 8.536 -4.554 -4.653 23 HG1 THR 4 HG1 THR 4 9.252 -7.257 -4.875 24 HG21 THR 4 HG21 THR 4 8.119 -5.228 -6.946 25 HG22 THR 4 HG22 THR 4 9.735 -5.948 -7.077 26 HG23 THR 4 HG23 THR 4 9.553 -4.192 -6.859 27 H GLU 5 H GLU 5 11.390 -3.158 -3.152 28 HA GLU 5 HA GLU 5 11.566 -4.502 -0.605 29 HB2 GLU 5 HB1 GLU 5 11.960 -1.565 -1.233 30 HB3 GLU 5 HB2 GLU 5 12.500 -2.457 0.218 31 HG2 GLU 5 HG1 GLU 5 14.465 -2.463 -0.910 32 HG3 GLU 5 HG2 GLU 5 13.783 -3.916 -1.641 33 H GLY 6 H GLY 6 9.461 -5.122 -0.113 34 HA2 GLY 6 HA3 GLY 6 7.925 -3.073 1.340 35 HA3 GLY 6 HA2 GLY 6 7.070 -3.998 0.084 36 H TRP 7 H TRP 7 6.055 -4.109 2.540 37 HA TRP 7 HA TRP 7 6.280 -6.917 3.230 38 HB2 TRP 7 HB1 TRP 7 6.744 -6.613 5.574 39 HB3 TRP 7 HB2 TRP 7 8.069 -5.935 4.651 40 HD1 TRP 7 HD TRP 7 5.763 -5.254 7.400 41 HE1 TRP 7 HE1 TRP 7 5.950 -2.843 8.287 42 HE3 TRP 7 3HE TRP 7 8.575 -3.224 3.626 43 HZ2 TRP 7 HZ2 TRP 7 7.019 -0.351 7.375 44 HZ3 TRP 7 HZ3 TRP 7 9.117 -0.807 3.636 45 HH2 TRP 7 HH TRP 7 8.337 0.648 5.494 46 H VAL 8 H VAL 8 4.567 -7.668 4.589 47 HA VAL 8 HA VAL 8 2.189 -5.822 4.774 48 HB VAL 8 HB VAL 8 2.221 -8.842 4.519 49 HG11 VAL 8 HG11 VAL 8 0.394 -8.148 6.023 50 HG12 VAL 8 HG12 VAL 8 -0.128 -6.915 4.853 51 HG13 VAL 8 HG13 VAL 8 -0.266 -8.640 4.465 52 HG21 VAL 8 HG21 VAL 8 0.820 -8.146 2.403 53 HG22 VAL 8 HG22 VAL 8 1.540 -6.561 2.630 54 HG23 VAL 8 HG23 VAL 8 2.578 -7.973 2.356 55 H ARG 9 H ARG 9 1.281 -5.547 6.724 56 HA ARG 9 HA ARG 9 3.363 -5.570 8.664 57 HB2 ARG 9 HB1 ARG 9 1.798 -3.699 7.874 58 HB3 ARG 9 HB2 ARG 9 0.579 -4.361 8.958 59 HG2 ARG 9 HG1 ARG 9 3.218 -4.048 10.220 60 HG3 ARG 9 HG2 ARG 9 2.592 -2.515 9.593 61 HD2 ARG 9 HD1 ARG 9 0.781 -4.156 11.312 62 HD3 ARG 9 HD2 ARG 9 2.155 -3.278 12.059 63 HE ARG 9 HE ARG 9 1.307 -1.268 10.852 64 HH11 ARG 9 HH12 ARG 9 -0.905 -3.766 11.983 65 HH12 ARG 9 HH11 ARG 9 -2.223 -2.660 12.257 66 HH21 ARG 9 HH22 ARG 9 -0.455 0.104 11.038 67 HH22 ARG 9 HH21 ARG 9 -1.949 -0.433 11.762 68 H PHE 10 H PHE 10 1.269 -7.985 8.450 69 HA PHE 10 HA PHE 10 0.054 -9.427 9.769 70 HB2 PHE 10 HB1 PHE 10 2.134 -9.996 10.689 71 HB3 PHE 10 HB2 PHE 10 2.231 -8.549 11.689 72 HD1 PHE 10 HD2 PHE 10 0.453 -11.791 11.304 73 HD2 PHE 10 HD1 PHE 10 1.387 -8.481 13.898 74 HE1 PHE 10 HE2 PHE 10 -0.679 -12.948 13.171 75 HE2 PHE 10 HE1 PHE 10 0.264 -9.649 15.786 76 HZ PHE 10 HZ PHE 10 -0.838 -11.841 15.406 77 H SER 11 H SER 11 -1.393 -9.699 11.791 78 HA SER 11 HA SER 11 -1.844 -7.493 13.462 79 HB2 SER 11 HB1 SER 11 -3.172 -6.734 11.433 80 HB3 SER 11 HB2 SER 11 -4.269 -8.096 11.739 81 HG SER 11 HG SER 11 -4.995 -6.219 12.675 82 HA PRO 12 HA PRO 12 -3.946 -10.958 15.598 83 HB2 PRO 12 HB1 PRO 12 -4.399 -9.843 18.008 84 HB3 PRO 12 HB2 PRO 12 -2.731 -10.214 17.478 85 HG2 PRO 12 HG1 PRO 12 -4.180 -7.552 17.318 86 HG3 PRO 12 HG2 PRO 12 -2.544 -7.879 17.992 87 HD2 PRO 12 HD1 PRO 12 -2.975 -6.997 15.408 88 HD3 PRO 12 HD2 PRO 12 -1.609 -8.061 15.853 89 H GLY 13 H GLY 13 -5.203 -8.002 14.464 90 HA2 GLY 13 HA3 GLY 13 -7.979 -8.590 15.356 91 HA3 GLY 13 HA2 GLY 13 -7.365 -6.988 14.889 92 HA PRO 14 HA PRO 14 -9.439 -9.308 11.292 93 HB2 PRO 14 HB1 PRO 14 -11.802 -7.986 11.075 94 HB3 PRO 14 HB2 PRO 14 -11.547 -9.252 12.314 95 HG2 PRO 14 HG1 PRO 14 -11.223 -6.247 12.657 96 HG3 PRO 14 HG2 PRO 14 -12.220 -7.360 13.658 97 HD2 PRO 14 HD1 PRO 14 -9.702 -6.670 14.406 98 HD3 PRO 14 HD2 PRO 14 -10.302 -8.338 14.640 99 H ASN 15 H ASN 15 -8.245 -6.219 11.910 100 HA ASN 15 HA ASN 15 -8.170 -5.584 9.033 101 HB2 ASN 15 HB1 ASN 15 -8.042 -3.178 9.676 102 HB3 ASN 15 HB2 ASN 15 -9.606 -3.953 10.017 103 HD21 ASN 15 HD21 ASN 15 -9.762 -1.871 11.353 104 HD22 ASN 15 HD22 ASN 15 -9.208 -2.028 13.018 105 H ALA 16 H ALA 16 -6.239 -4.411 8.347 106 HA ALA 16 HA ALA 16 -3.777 -4.700 9.926 107 HB1 ALA 16 HB1 ALA 16 -4.297 -6.498 7.509 108 HB2 ALA 16 HB2 ALA 16 -2.788 -6.414 8.443 109 HB3 ALA 16 HB3 ALA 16 -4.262 -7.039 9.194 110 H ALA 17 H ALA 17 -1.805 -4.432 8.218 111 HA ALA 17 HA ALA 17 -2.474 -2.236 6.347 112 HB1 ALA 17 HB1 ALA 17 -0.701 -0.842 7.221 113 HB2 ALA 17 HB2 ALA 17 -1.733 -1.296 8.586 114 HB3 ALA 17 HB3 ALA 17 -0.176 -2.107 8.343 115 H ALA 18 H ALA 18 -0.685 -1.705 4.850 116 HA ALA 18 HA ALA 18 1.631 -3.475 4.712 117 HB1 ALA 18 HB1 ALA 18 -0.047 -4.859 3.537 118 HB2 ALA 18 HB2 ALA 18 -0.368 -3.523 2.414 119 HB3 ALA 18 HB3 ALA 18 1.227 -4.293 2.435 120 H TYR 19 H TYR 19 3.199 -2.919 3.156 121 HA TYR 19 HA TYR 19 3.202 -0.158 2.031 122 HB2 TYR 19 HB1 TYR 19 5.469 -1.202 3.717 123 HB3 TYR 19 HB2 TYR 19 5.108 0.459 3.301 124 HD1 TYR 19 HD1 TYR 19 3.237 1.668 4.577 125 HD2 TYR 19 HD2 TYR 19 4.521 -2.326 5.535 126 HE1 TYR 19 HE1 TYR 19 2.075 1.815 6.780 127 HE2 TYR 19 HE2 TYR 19 3.512 -2.167 7.744 128 HH TYR 19 HH TYR 19 1.765 0.838 8.787 129 H LEU 20 H LEU 20 4.944 0.145 0.431 130 HA LEU 20 HA LEU 20 6.862 -1.838 -0.168 131 HB2 LEU 20 HB1 LEU 20 6.020 -2.702 -2.318 132 HB3 LEU 20 HB2 LEU 20 5.080 -3.258 -0.924 133 HG LEU 20 HG LEU 20 3.531 -1.164 -1.643 134 HD11 LEU 20 HD11 LEU 20 3.358 -1.045 -4.108 135 HD12 LEU 20 HD12 LEU 20 4.777 -2.101 -4.263 136 HD13 LEU 20 HD13 LEU 20 4.944 -0.475 -3.574 137 HD21 LEU 20 HD21 LEU 20 2.132 -2.767 -2.879 138 HD22 LEU 20 HD22 LEU 20 2.780 -3.486 -1.398 139 HD23 LEU 20 HD23 LEU 20 3.496 -3.904 -2.973 140 H THR 21 H THR 21 8.282 -1.393 -1.716 141 HA THR 21 HA THR 21 8.286 1.320 -2.910 142 HB THR 21 HB THR 21 10.489 -0.769 -2.931 143 HG1 THR 21 HG1 THR 21 10.086 -0.311 -0.841 144 HG21 THR 21 HG21 THR 21 10.405 2.244 -3.436 145 HG22 THR 21 HG22 THR 21 10.891 0.970 -4.575 146 HG23 THR 21 HG23 THR 21 11.895 1.328 -3.162 147 H LEU 22 H LEU 22 7.945 1.660 -5.008 148 HA LEU 22 HA LEU 22 8.150 -0.543 -6.963 149 HB2 LEU 22 HB1 LEU 22 5.715 -0.075 -5.949 150 HB3 LEU 22 HB2 LEU 22 5.742 1.123 -7.259 151 HG LEU 22 HG LEU 22 6.721 -0.902 -8.698 152 HD11 LEU 22 HD11 LEU 22 7.059 -2.486 -6.824 153 HD12 LEU 22 HD12 LEU 22 5.898 -3.112 -8.003 154 HD13 LEU 22 HD13 LEU 22 5.325 -2.434 -6.468 155 HD21 LEU 22 HD21 LEU 22 4.664 0.184 -9.118 156 HD22 LEU 22 HD22 LEU 22 3.849 -0.727 -7.819 157 HD23 LEU 22 HD23 LEU 22 4.451 -1.574 -9.278 158 H GLU 23 H GLU 23 8.110 0.215 -9.178 159 HA GLU 23 HA GLU 23 9.017 2.959 -9.611 160 HB2 GLU 23 HB1 GLU 23 11.188 2.166 -10.526 161 HB3 GLU 23 HB2 GLU 23 11.007 1.947 -8.767 162 HG2 GLU 23 HG1 GLU 23 10.400 -0.460 -9.223 163 HG3 GLU 23 HG2 GLU 23 10.832 -0.196 -10.921 164 H ASN 24 H ASN 24 8.409 3.690 -11.474 165 HA ASN 24 HA ASN 24 7.261 1.909 -13.534 166 HB2 ASN 24 HB1 ASN 24 6.143 3.995 -12.799 167 HB3 ASN 24 HB2 ASN 24 7.533 4.939 -13.359 168 HD21 ASN 24 HD21 ASN 24 5.174 5.632 -14.427 169 HD22 ASN 24 HD22 ASN 24 5.160 5.151 -16.118 170 HA PRO 25 HA PRO 25 11.303 2.317 -15.580 171 HB2 PRO 25 HB1 PRO 25 11.236 0.096 -17.145 172 HB3 PRO 25 HB2 PRO 25 11.352 -0.052 -15.365 173 HG2 PRO 25 HG1 PRO 25 8.830 -0.164 -17.066 174 HG3 PRO 25 HG2 PRO 25 9.380 -1.375 -15.856 175 HD2 PRO 25 HD1 PRO 25 7.600 0.604 -15.234 176 HD3 PRO 25 HD2 PRO 25 8.836 0.046 -14.070 177 H GLY 26 H GLY 26 8.147 2.597 -17.008 178 HA2 GLY 26 HA3 GLY 26 9.201 2.924 -19.756 179 HA3 GLY 26 HA2 GLY 26 7.497 2.766 -19.273 180 H ASP 27 H ASP 27 8.074 4.650 -21.045 181 HA ASP 27 HA ASP 27 8.470 7.267 -19.812 182 HB2 ASP 27 HB1 ASP 27 8.249 6.178 -22.601 183 HB3 ASP 27 HB2 ASP 27 8.064 7.927 -22.313 184 H LEU 28 H LEU 28 5.761 5.411 -19.904 185 HA LEU 28 HA LEU 28 3.917 7.732 -20.192 186 HB2 LEU 28 HB1 LEU 28 2.125 6.160 -20.454 187 HB3 LEU 28 HB2 LEU 28 3.441 5.827 -21.611 188 HG LEU 28 HG LEU 28 4.145 3.945 -19.962 189 HD11 LEU 28 HD11 LEU 28 1.328 4.562 -18.951 190 HD12 LEU 28 HD12 LEU 28 2.814 4.433 -17.992 191 HD13 LEU 28 HD13 LEU 28 2.128 2.988 -18.713 192 HD21 LEU 28 HD21 LEU 28 2.515 2.400 -20.991 193 HD22 LEU 28 HD22 LEU 28 3.112 3.573 -22.173 194 HD23 LEU 28 HD23 LEU 28 1.495 3.781 -21.465 195 HA PRO 29 HA PRO 29 3.516 7.816 -15.817 196 HB2 PRO 29 HB1 PRO 29 1.146 9.033 -15.347 197 HB3 PRO 29 HB2 PRO 29 2.471 9.842 -16.238 198 HG2 PRO 29 HG1 PRO 29 0.027 8.456 -17.359 199 HG3 PRO 29 HG2 PRO 29 0.738 10.032 -17.859 200 HD2 PRO 29 HD1 PRO 29 1.190 7.568 -19.118 201 HD3 PRO 29 HD2 PRO 29 2.303 8.944 -19.222 202 H LEU 30 H LEU 30 2.390 6.925 -13.860 203 HA LEU 30 HA LEU 30 0.689 4.545 -14.497 204 HB2 LEU 30 HB1 LEU 30 3.355 4.493 -13.947 205 HB3 LEU 30 HB2 LEU 30 2.682 4.197 -12.353 206 HG LEU 30 HG LEU 30 1.280 2.367 -13.445 207 HD11 LEU 30 HD11 LEU 30 2.093 1.404 -15.556 208 HD12 LEU 30 HD12 LEU 30 3.171 2.805 -15.778 209 HD13 LEU 30 HD13 LEU 30 1.403 3.011 -15.808 210 HD21 LEU 30 HD21 LEU 30 3.114 0.753 -13.461 211 HD22 LEU 30 HD22 LEU 30 3.362 1.932 -12.159 212 HD23 LEU 30 HD23 LEU 30 4.296 2.072 -13.665 213 H ARG 31 H ARG 31 -1.104 4.903 -13.650 214 HA ARG 31 HA ARG 31 -1.425 6.255 -11.006 215 HB2 ARG 31 HB1 ARG 31 -2.626 7.215 -12.923 216 HB3 ARG 31 HB2 ARG 31 -3.555 5.714 -13.087 217 HG2 ARG 31 HG1 ARG 31 -4.619 6.031 -10.972 218 HG3 ARG 31 HG2 ARG 31 -3.500 7.318 -10.491 219 HD2 ARG 31 HD1 ARG 31 -5.434 7.573 -12.819 220 HD3 ARG 31 HD2 ARG 31 -5.801 8.079 -11.146 221 HE ARG 31 HE ARG 31 -3.321 9.252 -12.051 222 HH11 ARG 31 HH12 ARG 31 -6.796 9.746 -12.486 223 HH12 ARG 31 HH11 ARG 31 -6.575 11.462 -12.716 224 HH21 ARG 31 HH22 ARG 31 -3.132 11.348 -12.136 225 HH22 ARG 31 HH21 ARG 31 -4.474 12.388 -12.506 226 H LEU 32 H LEU 32 -1.474 5.033 -9.302 227 HA LEU 32 HA LEU 32 -2.224 2.165 -9.376 228 HB2 LEU 32 HB1 LEU 32 -0.106 2.791 -8.390 229 HB3 LEU 32 HB2 LEU 32 -0.892 4.003 -7.353 230 HG LEU 32 HG LEU 32 -2.064 2.110 -6.158 231 HD11 LEU 32 HD11 LEU 32 -0.133 0.381 -7.781 232 HD12 LEU 32 HD12 LEU 32 -1.902 0.352 -7.893 233 HD13 LEU 32 HD13 LEU 32 -1.112 -0.169 -6.404 234 HD21 LEU 32 HD21 LEU 32 -0.049 1.450 -4.886 235 HD22 LEU 32 HD22 LEU 32 -0.028 3.179 -5.265 236 HD23 LEU 32 HD23 LEU 32 0.985 2.055 -6.200 237 H VAL 33 H VAL 33 -4.288 1.649 -8.917 238 HA VAL 33 HA VAL 33 -5.988 3.668 -7.476 239 HB VAL 33 HB VAL 33 -7.914 2.760 -8.687 240 HG11 VAL 33 HG11 VAL 33 -7.402 3.710 -10.881 241 HG12 VAL 33 HG12 VAL 33 -6.663 4.691 -9.606 242 HG13 VAL 33 HG13 VAL 33 -5.661 3.587 -10.570 243 HG21 VAL 33 HG21 VAL 33 -5.954 1.117 -10.349 244 HG22 VAL 33 HG22 VAL 33 -7.061 0.434 -9.132 245 HG23 VAL 33 HG23 VAL 33 -7.702 1.242 -10.570 246 H GLY 34 H GLY 34 -4.675 0.517 -7.127 247 HA2 GLY 34 HA3 GLY 34 -5.479 0.280 -4.475 248 HA3 GLY 34 HA2 GLY 34 -6.631 -0.685 -5.426 249 H ALA 35 H ALA 35 -5.513 -2.390 -3.980 250 HA ALA 35 HA ALA 35 -3.902 -3.878 -5.873 251 HB1 ALA 35 HB1 ALA 35 -2.810 -3.444 -3.070 252 HB2 ALA 35 HB2 ALA 35 -2.139 -4.481 -4.356 253 HB3 ALA 35 HB3 ALA 35 -2.146 -2.732 -4.564 254 H ARG 36 H ARG 36 -4.161 -6.111 -5.638 255 HA ARG 36 HA ARG 36 -6.549 -6.871 -3.992 256 HB2 ARG 36 HB1 ARG 36 -7.250 -6.904 -6.189 257 HB3 ARG 36 HB2 ARG 36 -5.683 -7.391 -6.831 258 HG2 ARG 36 HG1 ARG 36 -6.086 -9.674 -5.799 259 HG3 ARG 36 HG2 ARG 36 -7.729 -9.118 -5.408 260 HD2 ARG 36 HD1 ARG 36 -8.191 -10.101 -7.422 261 HD3 ARG 36 HD2 ARG 36 -7.712 -8.520 -8.045 262 HE ARG 36 HE ARG 36 -5.404 -10.252 -7.776 263 HH11 ARG 36 HH12 ARG 36 -8.226 -9.958 -9.906 264 HH12 ARG 36 HH11 ARG 36 -7.450 -10.885 -11.160 265 HH21 ARG 36 HH22 ARG 36 -4.437 -11.195 -9.441 266 HH22 ARG 36 HH21 ARG 36 -5.282 -11.544 -10.922 267 H THR 37 H THR 37 -6.454 -8.775 -2.794 268 HA THR 37 HA THR 37 -3.953 -10.377 -2.734 269 HB THR 37 HB THR 37 -3.421 -8.466 -1.415 270 HG1 THR 37 HG1 THR 37 -2.540 -10.050 -0.368 271 HG21 THR 37 HG21 THR 37 -5.861 -9.038 0.320 272 HG22 THR 37 HG22 THR 37 -5.660 -7.627 -0.741 273 HG23 THR 37 HG23 THR 37 -4.585 -7.844 0.637 274 HA PRO 38 HA PRO 38 -7.100 -13.137 -0.858 275 HB2 PRO 38 HB1 PRO 38 -5.647 -15.278 -0.170 276 HB3 PRO 38 HB2 PRO 38 -5.848 -14.770 -1.884 277 HG2 PRO 38 HG1 PRO 38 -3.503 -14.178 -0.090 278 HG3 PRO 38 HG2 PRO 38 -3.502 -14.924 -1.731 279 HD2 PRO 38 HD1 PRO 38 -3.149 -12.207 -1.253 280 HD3 PRO 38 HD2 PRO 38 -3.878 -12.834 -2.748 281 H VAL 39 H VAL 39 -4.420 -11.692 0.812 282 HA VAL 39 HA VAL 39 -5.112 -12.768 3.414 283 HB VAL 39 HB VAL 39 -3.732 -11.243 4.525 284 HG11 VAL 39 HG11 VAL 39 -2.427 -11.859 1.866 285 HG12 VAL 39 HG12 VAL 39 -1.595 -11.233 3.308 286 HG13 VAL 39 HG13 VAL 39 -2.370 -12.792 3.390 287 HG21 VAL 39 HG21 VAL 39 -4.432 -9.076 3.724 288 HG22 VAL 39 HG22 VAL 39 -2.688 -9.218 3.567 289 HG23 VAL 39 HG23 VAL 39 -3.714 -9.380 2.140 290 H ALA 40 H ALA 40 -6.984 -10.667 1.563 291 HA ALA 40 HA ALA 40 -8.605 -9.784 3.829 292 HB1 ALA 40 HB1 ALA 40 -8.229 -7.384 3.403 293 HB2 ALA 40 HB2 ALA 40 -6.717 -8.195 3.873 294 HB3 ALA 40 HB3 ALA 40 -7.024 -7.809 2.167 295 H GLU 41 H GLU 41 -10.484 -8.595 3.197 296 HA GLU 41 HA GLU 41 -11.492 -9.325 0.497 297 HB2 GLU 41 HB1 GLU 41 -12.608 -10.066 2.632 298 HB3 GLU 41 HB2 GLU 41 -12.972 -8.380 3.000 299 HG2 GLU 41 HG1 GLU 41 -14.926 -9.399 2.041 300 HG3 GLU 41 HG2 GLU 41 -14.286 -8.265 0.847 301 H ARG 42 H ARG 42 -11.948 -6.583 2.779 302 HA ARG 42 HA ARG 42 -12.071 -4.690 0.509 303 HB2 ARG 42 HB1 ARG 42 -13.636 -4.546 2.473 304 HB3 ARG 42 HB2 ARG 42 -12.248 -4.111 3.478 305 HG2 ARG 42 HG1 ARG 42 -11.835 -2.310 1.590 306 HG3 ARG 42 HG2 ARG 42 -13.537 -2.574 1.199 307 HD2 ARG 42 HD1 ARG 42 -12.441 -1.750 3.923 308 HD3 ARG 42 HD2 ARG 42 -13.137 -0.657 2.690 309 HE ARG 42 HE ARG 42 -15.061 -2.629 3.309 310 HH11 ARG 42 HH12 ARG 42 -13.447 0.177 4.761 311 HH12 ARG 42 HH11 ARG 42 -14.794 0.598 5.761 312 HH21 ARG 42 HH22 ARG 42 -16.854 -1.986 4.637 313 HH22 ARG 42 HH21 ARG 42 -16.659 -0.646 5.733 314 H VAL 43 H VAL 43 -10.158 -4.283 -0.327 315 HA VAL 43 HA VAL 43 -7.876 -3.302 1.333 316 HB VAL 43 HB VAL 43 -7.278 -4.469 -0.729 317 HG11 VAL 43 HG11 VAL 43 -9.272 -3.936 -2.128 318 HG12 VAL 43 HG12 VAL 43 -8.704 -2.258 -2.282 319 HG13 VAL 43 HG13 VAL 43 -7.766 -3.575 -2.968 320 HG21 VAL 43 HG21 VAL 43 -5.866 -2.573 0.153 321 HG22 VAL 43 HG22 VAL 43 -5.670 -2.851 -1.578 322 HG23 VAL 43 HG23 VAL 43 -6.647 -1.497 -1.024 323 H GLU 44 H GLU 44 -7.515 -1.102 1.629 324 HA GLU 44 HA GLU 44 -8.922 0.875 -0.103 325 HB2 GLU 44 HB1 GLU 44 -8.544 1.100 2.914 326 HB3 GLU 44 HB2 GLU 44 -9.106 2.400 1.833 327 HG2 GLU 44 HG1 GLU 44 -11.145 1.141 1.348 328 HG3 GLU 44 HG2 GLU 44 -10.590 -0.199 2.371 329 H LEU 45 H LEU 45 -7.120 2.009 -1.195 330 HA LEU 45 HA LEU 45 -4.590 2.154 0.232 331 HB2 LEU 45 HB1 LEU 45 -4.870 1.973 -2.285 332 HB3 LEU 45 HB2 LEU 45 -5.380 3.660 -2.291 333 HG LEU 45 HG LEU 45 -2.808 2.828 -0.881 334 HD11 LEU 45 HD11 LEU 45 -3.061 3.454 -3.836 335 HD12 LEU 45 HD12 LEU 45 -2.776 1.853 -3.152 336 HD13 LEU 45 HD13 LEU 45 -1.554 3.133 -2.908 337 HD21 LEU 45 HD21 LEU 45 -2.008 5.046 -1.553 338 HD22 LEU 45 HD22 LEU 45 -3.540 5.236 -0.709 339 HD23 LEU 45 HD23 LEU 45 -3.496 5.327 -2.488 340 H HIS 46 H HIS 46 -4.127 3.476 1.710 341 HA HIS 46 HA HIS 46 -5.572 6.048 2.069 342 HB2 HIS 46 HB1 HIS 46 -4.312 4.095 3.995 343 HB3 HIS 46 HB2 HIS 46 -4.604 5.781 4.458 344 HD2 HIS 46 HD2 HIS 46 -7.426 3.932 2.536 345 HE1 HIS 46 HE1 HIS 46 -8.629 4.253 6.581 346 HE2 HIS 46 HE2 HIS 46 -9.339 3.484 4.255 347 H GLU 47 H GLU 47 -4.426 7.787 2.883 348 HA GLU 47 HA GLU 47 -1.472 7.808 2.524 349 HB2 GLU 47 HB1 GLU 47 -1.513 10.171 2.253 350 HB3 GLU 47 HB2 GLU 47 -2.584 9.440 1.040 351 HG2 GLU 47 HG1 GLU 47 -4.539 9.994 2.428 352 HG3 GLU 47 HG2 GLU 47 -3.478 10.658 3.689 353 H THR 48 H THR 48 -0.409 9.257 4.122 354 HA THR 48 HA THR 48 -1.811 9.530 6.745 355 HB THR 48 HB THR 48 1.079 8.685 6.431 356 HG1 THR 48 HG1 THR 48 0.547 6.741 7.073 357 HG21 THR 48 HG21 THR 48 -0.745 8.946 8.865 358 HG22 THR 48 HG22 THR 48 0.649 9.981 8.486 359 HG23 THR 48 HG23 THR 48 0.908 8.279 8.897 360 H PHE 49 H PHE 49 -1.997 11.708 6.849 361 HA PHE 49 HA PHE 49 0.153 13.426 5.688 362 HB2 PHE 49 HB1 PHE 49 -1.609 15.069 5.295 363 HB3 PHE 49 HB2 PHE 49 -1.929 13.538 4.463 364 HD1 PHE 49 HD2 PHE 49 -3.701 11.998 5.343 365 HD2 PHE 49 HD1 PHE 49 -3.138 15.925 6.996 366 HE1 PHE 49 HE2 PHE 49 -5.928 11.871 6.385 367 HE2 PHE 49 HE1 PHE 49 -5.423 15.807 8.003 368 HZ PHE 49 HZ PHE 49 -6.834 13.802 7.603 369 H MET 50 H MET 50 0.584 15.434 6.648 370 HA MET 50 HA MET 50 0.271 15.554 9.600 371 HB2 MET 50 HB1 MET 50 1.960 17.311 9.522 372 HB3 MET 50 HB2 MET 50 2.539 15.815 8.762 373 HG2 MET 50 HG1 MET 50 2.137 16.765 6.540 374 HG3 MET 50 HG2 MET 50 1.468 18.243 7.252 375 HE1 MET 50 HE1 MET 50 4.896 19.262 5.592 376 HE2 MET 50 HE2 MET 50 3.903 17.889 5.057 377 HE3 MET 50 HE3 MET 50 3.129 19.426 5.520 378 H ARG 51 H ARG 51 -0.489 17.417 10.681 379 HA ARG 51 HA ARG 51 -1.501 19.720 9.325 380 HB2 ARG 51 HB1 ARG 51 -3.238 17.500 9.369 381 HB3 ARG 51 HB2 ARG 51 -3.866 18.556 10.642 382 HG2 ARG 51 HG1 ARG 51 -4.305 20.315 9.132 383 HG3 ARG 51 HG2 ARG 51 -3.137 19.709 7.922 384 HD2 ARG 51 HD1 ARG 51 -4.549 17.764 7.484 385 HD3 ARG 51 HD2 ARG 51 -5.742 18.343 8.660 386 HE ARG 51 HE ARG 51 -5.786 20.430 7.112 387 HH11 ARG 51 HH12 ARG 51 -5.278 17.159 5.839 388 HH12 ARG 51 HH11 ARG 51 -5.974 17.546 4.304 389 HH21 ARG 51 HH22 ARG 51 -6.671 20.867 5.113 390 HH22 ARG 51 HH21 ARG 51 -6.740 19.640 3.886 391 H GLU 52 H GLU 52 -2.787 21.175 10.785 392 HA GLU 52 HA GLU 52 -2.113 20.912 13.627 393 HB2 GLU 52 HB1 GLU 52 -0.432 22.350 12.063 394 HB3 GLU 52 HB2 GLU 52 -1.641 23.615 12.382 395 HG2 GLU 52 HG1 GLU 52 -1.336 23.538 14.691 396 HG3 GLU 52 HG2 GLU 52 -0.497 21.968 14.630 397 H VAL 53 H VAL 53 -3.638 21.775 14.953 398 HA VAL 53 HA VAL 53 -5.668 23.631 13.946 399 HB VAL 53 HB VAL 53 -6.525 21.438 13.291 400 HG11 VAL 53 HG11 VAL 53 -5.545 20.145 15.152 401 HG12 VAL 53 HG12 VAL 53 -6.740 20.873 16.251 402 HG13 VAL 53 HG13 VAL 53 -7.281 19.833 14.911 403 HG21 VAL 53 HG21 VAL 53 -8.159 22.814 15.469 404 HG22 VAL 53 HG22 VAL 53 -8.053 23.327 13.769 405 HG23 VAL 53 HG23 VAL 53 -8.784 21.765 14.181 406 H GLU 54 H GLU 54 -6.244 25.061 15.511 407 HA GLU 54 HA GLU 54 -5.867 26.297 17.372 408 HB2 GLU 54 HB1 GLU 54 -7.412 24.362 18.113 409 HB3 GLU 54 HB2 GLU 54 -6.062 23.763 19.036 410 HG2 GLU 54 HG1 GLU 54 -6.747 26.660 19.417 411 HG3 GLU 54 HG2 GLU 54 -7.990 25.487 19.939 412 H GLY 55 H GLY 55 -3.583 25.287 15.924 413 HA2 GLY 55 HA3 GLY 55 -1.306 25.293 15.943 414 HA3 GLY 55 HA2 GLY 55 -1.355 25.911 17.610 415 H LYS 56 H LYS 56 -3.094 23.060 17.672 416 HA LYS 56 HA LYS 56 -0.936 21.495 18.836 417 HB2 LYS 56 HB1 LYS 56 -3.790 20.681 18.257 418 HB3 LYS 56 HB2 LYS 56 -2.666 19.991 19.433 419 HG2 LYS 56 HG1 LYS 56 -3.999 22.715 19.576 420 HG3 LYS 56 HG2 LYS 56 -4.451 21.272 20.518 421 HD2 LYS 56 HD1 LYS 56 -2.299 21.361 21.699 422 HD3 LYS 56 HD2 LYS 56 -1.795 22.771 20.760 423 HE2 LYS 56 HE1 LYS 56 -4.404 22.793 22.299 424 HE3 LYS 56 HE2 LYS 56 -2.895 23.104 23.161 425 HZ1 LYS 56 HZ1 LYS 56 -2.634 25.119 21.971 426 HZ2 LYS 56 HZ2 LYS 56 -4.281 25.029 22.110 427 HZ3 LYS 56 HZ3 LYS 56 -3.619 24.639 20.738 428 H LYS 57 H LYS 57 0.163 19.960 17.822 429 HA LYS 57 HA LYS 57 -0.144 19.844 14.868 430 HB2 LYS 57 HB1 LYS 57 2.454 19.096 15.497 431 HB3 LYS 57 HB2 LYS 57 1.874 20.651 14.854 432 HG2 LYS 57 HG1 LYS 57 1.671 21.441 17.251 433 HG3 LYS 57 HG2 LYS 57 2.473 19.939 17.752 434 HD2 LYS 57 HD1 LYS 57 4.092 21.738 17.699 435 HD3 LYS 57 HD2 LYS 57 4.460 20.588 16.395 436 HE2 LYS 57 HE1 LYS 57 4.735 22.873 15.596 437 HE3 LYS 57 HE2 LYS 57 3.358 22.098 14.771 438 HZ1 LYS 57 HZ1 LYS 57 2.513 24.108 15.279 439 HZ2 LYS 57 HZ2 LYS 57 3.295 24.294 16.726 440 HZ3 LYS 57 HZ3 LYS 57 1.970 23.315 16.535 441 H VAL 58 H VAL 58 -0.408 18.047 13.778 442 HA VAL 58 HA VAL 58 -0.575 15.441 15.238 443 HB VAL 58 HB VAL 58 -2.784 17.014 13.877 444 HG11 VAL 58 HG11 VAL 58 -4.336 15.165 14.581 445 HG12 VAL 58 HG12 VAL 58 -3.233 14.721 13.292 446 HG13 VAL 58 HG13 VAL 58 -2.912 14.173 14.959 447 HG21 VAL 58 HG21 VAL 58 -2.437 17.790 16.165 448 HG22 VAL 58 HG22 VAL 58 -3.930 16.869 16.095 449 HG23 VAL 58 HG23 VAL 58 -2.470 16.119 16.773 450 H MET 59 H MET 59 -0.852 13.603 13.882 451 HA MET 59 HA MET 59 -0.833 14.020 10.949 452 HB2 MET 59 HB1 MET 59 0.810 12.021 12.500 453 HB3 MET 59 HB2 MET 59 0.308 11.702 10.820 454 HG2 MET 59 HG1 MET 59 1.510 13.495 9.960 455 HG3 MET 59 HG2 MET 59 1.637 14.322 11.517 456 HE1 MET 59 HE1 MET 59 2.684 12.348 13.580 457 HE2 MET 59 HE2 MET 59 4.422 12.683 13.409 458 HE3 MET 59 HE3 MET 59 3.234 14.005 13.265 459 H GLY 60 H GLY 60 -2.191 12.558 9.794 460 HA2 GLY 60 HA3 GLY 60 -3.770 10.593 11.319 461 HA3 GLY 60 HA2 GLY 60 -4.670 11.955 10.615 462 H MET 61 H MET 61 -5.060 9.208 9.973 463 HA MET 61 HA MET 61 -3.987 8.906 7.223 464 HB2 MET 61 HB1 MET 61 -5.426 6.925 9.015 465 HB3 MET 61 HB2 MET 61 -4.774 6.590 7.387 466 HG2 MET 61 HG1 MET 61 -3.156 5.726 8.790 467 HG3 MET 61 HG2 MET 61 -2.499 7.291 8.325 468 HE1 MET 61 HE1 MET 61 -1.108 6.632 11.932 469 HE2 MET 61 HE2 MET 61 -1.465 5.412 10.685 470 HE3 MET 61 HE3 MET 61 -0.711 6.954 10.229 471 H ARG 62 H ARG 62 -5.363 8.331 5.471 472 HA ARG 62 HA ARG 62 -8.203 8.125 5.771 473 HB2 ARG 62 HB1 ARG 62 -8.972 10.034 4.496 474 HB3 ARG 62 HB2 ARG 62 -8.114 10.560 5.957 475 HG2 ARG 62 HG1 ARG 62 -7.266 12.070 4.508 476 HG3 ARG 62 HG2 ARG 62 -6.074 10.805 4.233 477 HD2 ARG 62 HD1 ARG 62 -7.443 10.036 2.268 478 HD3 ARG 62 HD2 ARG 62 -8.553 11.377 2.568 479 HE ARG 62 HE ARG 62 -5.713 11.547 1.618 480 HH11 ARG 62 HH12 ARG 62 -8.795 13.223 1.873 481 HH12 ARG 62 HH11 ARG 62 -8.187 14.596 0.981 482 HH21 ARG 62 HH22 ARG 62 -4.991 13.213 0.644 483 HH22 ARG 62 HH21 ARG 62 -5.959 14.626 0.300 484 HA PRO 63 HA PRO 63 -7.522 6.061 1.841 485 HB2 PRO 63 HB1 PRO 63 -10.073 5.840 0.865 486 HB3 PRO 63 HB2 PRO 63 -9.378 4.741 2.066 487 HG2 PRO 63 HG1 PRO 63 -11.196 7.059 2.481 488 HG3 PRO 63 HG2 PRO 63 -11.163 5.513 3.374 489 HD2 PRO 63 HD1 PRO 63 -10.128 7.924 4.302 490 HD3 PRO 63 HD2 PRO 63 -9.515 6.336 4.824 491 H VAL 64 H VAL 64 -7.203 6.580 -0.223 492 HA VAL 64 HA VAL 64 -8.093 9.284 -1.186 493 HB VAL 64 HB VAL 64 -6.090 9.102 -2.749 494 HG11 VAL 64 HG11 VAL 64 -6.178 10.642 -0.844 495 HG12 VAL 64 HG12 VAL 64 -5.545 9.372 0.230 496 HG13 VAL 64 HG13 VAL 64 -4.541 10.007 -1.093 497 HG21 VAL 64 HG21 VAL 64 -5.571 6.681 -2.385 498 HG22 VAL 64 HG22 VAL 64 -4.189 7.757 -2.115 499 HG23 VAL 64 HG23 VAL 64 -5.053 7.083 -0.728 500 HA PRO 65 HA PRO 65 -9.993 7.125 -4.585 501 HB2 PRO 65 HB1 PRO 65 -9.806 8.878 -6.666 502 HB3 PRO 65 HB2 PRO 65 -10.865 9.165 -5.249 503 HG2 PRO 65 HG1 PRO 65 -8.060 10.229 -5.706 504 HG3 PRO 65 HG2 PRO 65 -9.530 11.158 -5.238 505 HD2 PRO 65 HD1 PRO 65 -7.742 10.309 -3.372 506 HD3 PRO 65 HD2 PRO 65 -9.500 10.256 -3.045 507 H PHE 66 H PHE 66 -6.570 8.044 -4.722 508 HA PHE 66 HA PHE 66 -5.716 5.732 -5.958 509 HB2 PHE 66 HB1 PHE 66 -4.899 6.549 -8.131 510 HB3 PHE 66 HB2 PHE 66 -6.652 6.442 -8.078 511 HD1 PHE 66 HD1 PHE 66 -3.741 8.751 -8.200 512 HD2 PHE 66 HD2 PHE 66 -8.037 8.431 -8.300 513 HE1 PHE 66 HE1 PHE 66 -3.889 11.078 -9.023 514 HE2 PHE 66 HE2 PHE 66 -8.188 10.776 -9.099 515 HZ PHE 66 HZ PHE 66 -6.109 12.108 -9.457 516 H LEU 67 H LEU 67 -3.458 5.868 -6.538 517 HA LEU 67 HA LEU 67 -1.945 8.248 -5.632 518 HB2 LEU 67 HB1 LEU 67 -1.628 5.445 -4.882 519 HB3 LEU 67 HB2 LEU 67 -0.211 5.960 -5.817 520 HG LEU 67 HG LEU 67 -1.286 7.224 -3.269 521 HD11 LEU 67 HD11 LEU 67 0.989 6.342 -2.454 522 HD12 LEU 67 HD12 LEU 67 1.228 5.615 -4.038 523 HD13 LEU 67 HD13 LEU 67 -0.094 5.046 -2.994 524 HD21 LEU 67 HD21 LEU 67 1.126 7.988 -5.020 525 HD22 LEU 67 HD22 LEU 67 0.892 8.557 -3.360 526 HD23 LEU 67 HD23 LEU 67 -0.254 9.033 -4.605 527 H GLU 68 H GLU 68 0.224 8.304 -7.013 528 HA GLU 68 HA GLU 68 0.249 6.678 -9.332 529 HB2 GLU 68 HB1 GLU 68 -0.103 8.046 -11.117 530 HB3 GLU 68 HB2 GLU 68 -1.479 8.343 -10.051 531 HG2 GLU 68 HG1 GLU 68 -0.288 10.475 -9.328 532 HG3 GLU 68 HG2 GLU 68 0.857 10.163 -10.650 533 H VAL 69 H VAL 69 1.949 7.161 -10.840 534 HA VAL 69 HA VAL 69 4.301 8.365 -9.515 535 HB VAL 69 HB VAL 69 4.423 5.691 -10.991 536 HG11 VAL 69 HG11 VAL 69 6.451 5.359 -9.597 537 HG12 VAL 69 HG12 VAL 69 6.565 6.795 -10.621 538 HG13 VAL 69 HG13 VAL 69 6.216 6.971 -8.889 539 HG21 VAL 69 HG21 VAL 69 2.852 5.168 -9.245 540 HG22 VAL 69 HG22 VAL 69 4.418 4.482 -8.823 541 HG23 VAL 69 HG23 VAL 69 3.862 5.969 -8.022 542 HA PRO 70 HA PRO 70 4.884 9.755 -13.744 543 HB2 PRO 70 HB1 PRO 70 7.313 10.976 -13.574 544 HB3 PRO 70 HB2 PRO 70 5.831 11.657 -12.840 545 HG2 PRO 70 HG1 PRO 70 7.979 9.979 -11.497 546 HG3 PRO 70 HG2 PRO 70 7.282 11.538 -10.927 547 HD2 PRO 70 HD1 PRO 70 6.390 9.114 -10.014 548 HD3 PRO 70 HD2 PRO 70 5.275 10.489 -10.262 549 HA PRO 71 HA PRO 71 7.419 6.689 -15.786 550 HB2 PRO 71 HB1 PRO 71 8.593 8.172 -17.819 551 HB3 PRO 71 HB2 PRO 71 6.925 7.514 -17.809 552 HG2 PRO 71 HG1 PRO 71 7.828 10.310 -17.214 553 HG3 PRO 71 HG2 PRO 71 6.362 9.751 -18.114 554 HD2 PRO 71 HD1 PRO 71 6.279 10.571 -15.510 555 HD3 PRO 71 HD2 PRO 71 5.205 9.306 -16.148 556 H LYS 72 H LYS 72 9.457 5.800 -15.612 557 HA LYS 72 HA LYS 72 11.499 5.414 -14.729 558 HB2 LYS 72 HB1 LYS 72 11.845 8.173 -15.791 559 HB3 LYS 72 HB2 LYS 72 13.118 7.503 -14.729 560 HG2 LYS 72 HG1 LYS 72 13.554 7.102 -17.090 561 HG3 LYS 72 HG2 LYS 72 13.462 5.623 -16.139 562 HD2 LYS 72 HD1 LYS 72 12.468 5.244 -18.290 563 HD3 LYS 72 HD2 LYS 72 11.154 5.247 -17.102 564 HE2 LYS 72 HE1 LYS 72 10.233 6.569 -18.742 565 HE3 LYS 72 HE2 LYS 72 10.979 7.813 -17.745 566 HZ1 LYS 72 HZ1 LYS 72 11.973 6.623 -20.272 567 HZ2 LYS 72 HZ2 LYS 72 12.908 7.672 -19.369 568 HZ3 LYS 72 HZ3 LYS 72 11.481 8.107 -20.101 569 H GLY 73 H GLY 73 9.368 7.059 -13.198 570 HA2 GLY 73 HA3 GLY 73 10.677 7.931 -10.766 571 HA3 GLY 73 HA2 GLY 73 8.925 7.833 -11.054 572 H ARG 74 H ARG 74 11.436 6.679 -9.411 573 HA ARG 74 HA ARG 74 9.977 4.289 -8.374 574 HB2 ARG 74 HB1 ARG 74 12.370 3.902 -8.557 575 HB3 ARG 74 HB2 ARG 74 12.721 5.406 -7.668 576 HG2 ARG 74 HG1 ARG 74 11.692 4.473 -5.650 577 HG3 ARG 74 HG2 ARG 74 11.292 2.975 -6.482 578 HD2 ARG 74 HD1 ARG 74 14.165 3.769 -6.601 579 HD3 ARG 74 HD2 ARG 74 13.525 3.436 -4.972 580 HE ARG 74 HE ARG 74 13.220 1.443 -7.207 581 HH11 ARG 74 HH12 ARG 74 14.533 2.053 -3.929 582 HH12 ARG 74 HH11 ARG 74 14.600 0.311 -3.655 583 HH21 ARG 74 HH22 ARG 74 13.317 -0.586 -6.694 584 HH22 ARG 74 HH21 ARG 74 13.755 -1.108 -5.036 585 H VAL 75 H VAL 75 8.849 4.291 -6.537 586 HA VAL 75 HA VAL 75 9.196 6.373 -4.477 587 HB VAL 75 HB VAL 75 6.760 6.843 -4.319 588 HG11 VAL 75 HG11 VAL 75 8.249 8.464 -5.472 589 HG12 VAL 75 HG12 VAL 75 7.817 7.719 -7.031 590 HG13 VAL 75 HG13 VAL 75 6.574 8.504 -6.045 591 HG21 VAL 75 HG21 VAL 75 5.814 4.918 -5.496 592 HG22 VAL 75 HG22 VAL 75 5.283 6.415 -6.264 593 HG23 VAL 75 HG23 VAL 75 6.564 5.435 -7.019 594 H GLU 76 H GLU 76 8.275 5.733 -2.400 595 HA GLU 76 HA GLU 76 7.138 2.977 -2.339 596 HB2 GLU 76 HB1 GLU 76 7.993 3.743 0.263 597 HB3 GLU 76 HB2 GLU 76 8.490 2.359 -0.734 598 HG2 GLU 76 HG1 GLU 76 10.467 3.446 -0.052 599 HG3 GLU 76 HG2 GLU 76 10.267 3.876 -1.749 600 H LEU 77 H LEU 77 5.510 2.466 -1.000 601 HA LEU 77 HA LEU 77 3.729 4.555 0.036 602 HB2 LEU 77 HB1 LEU 77 3.691 1.526 -0.037 603 HB3 LEU 77 HB2 LEU 77 2.568 2.457 0.996 604 HG LEU 77 HG LEU 77 1.792 3.647 -1.107 605 HD11 LEU 77 HD11 LEU 77 3.303 1.364 -2.461 606 HD12 LEU 77 HD12 LEU 77 3.571 3.107 -2.700 607 HD13 LEU 77 HD13 LEU 77 2.069 2.370 -3.248 608 HD21 LEU 77 HD21 LEU 77 0.459 1.939 0.008 609 HD22 LEU 77 HD22 LEU 77 1.356 0.647 -0.822 610 HD23 LEU 77 HD23 LEU 77 0.305 1.753 -1.740 611 H LYS 78 H LYS 78 5.406 5.572 1.251 612 HA LYS 78 HA LYS 78 6.554 4.274 3.560 613 HB2 LYS 78 HB1 LYS 78 7.145 6.708 4.157 614 HB3 LYS 78 HB2 LYS 78 7.855 5.966 2.706 615 HG2 LYS 78 HG1 LYS 78 5.397 7.337 2.001 616 HG3 LYS 78 HG2 LYS 78 6.440 8.449 2.922 617 HD2 LYS 78 HD1 LYS 78 7.486 6.868 0.572 618 HD3 LYS 78 HD2 LYS 78 6.741 8.473 0.396 619 HE2 LYS 78 HE1 LYS 78 8.416 9.480 1.848 620 HE3 LYS 78 HE2 LYS 78 9.035 7.855 2.294 621 HZ1 LYS 78 HZ1 LYS 78 9.731 7.518 0.095 622 HZ2 LYS 78 HZ2 LYS 78 10.444 8.876 0.626 623 HZ3 LYS 78 HZ3 LYS 78 9.167 8.928 -0.455 624 HA PRO 79 HA PRO 79 3.133 4.235 6.211 625 HB2 PRO 79 HB1 PRO 79 4.261 4.349 8.749 626 HB3 PRO 79 HB2 PRO 79 4.242 2.912 7.684 627 HG2 PRO 79 HG1 PRO 79 6.452 4.946 8.022 628 HG3 PRO 79 HG2 PRO 79 6.584 3.151 8.000 629 HD2 PRO 79 HD1 PRO 79 7.138 4.591 5.786 630 HD3 PRO 79 HD2 PRO 79 6.195 3.074 5.652 631 H GLY 80 H GLY 80 5.327 6.962 6.989 632 HA2 GLY 80 HA3 GLY 80 2.925 8.719 7.241 633 HA3 GLY 80 HA2 GLY 80 4.605 9.229 7.519 634 H GLY 81 H GLY 81 2.231 9.582 5.224 635 HA2 GLY 81 HA3 GLY 81 2.939 10.222 2.875 636 HA3 GLY 81 HA2 GLY 81 3.890 8.720 2.900 637 H TYR 82 H TYR 82 2.796 6.702 2.792 638 HA TYR 82 HA TYR 82 -0.053 6.573 1.993 639 HB2 TYR 82 HB1 TYR 82 2.124 5.841 0.057 640 HB3 TYR 82 HB2 TYR 82 0.373 5.744 -0.185 641 HD1 TYR 82 HD1 TYR 82 -0.968 7.941 -0.172 642 HD2 TYR 82 HD2 TYR 82 3.333 7.789 -0.491 643 HE1 TYR 82 HE1 TYR 82 -0.945 10.316 -0.925 644 HE2 TYR 82 HE2 TYR 82 3.358 10.156 -1.264 645 HH TYR 82 HH TYR 82 0.355 12.070 -1.529 646 H HIS 83 H HIS 83 -0.929 4.465 1.998 647 HA HIS 83 HA HIS 83 0.688 2.096 2.371 648 HB2 HIS 83 HB1 HIS 83 0.085 1.593 4.645 649 HB3 HIS 83 HB2 HIS 83 1.028 3.078 4.614 650 HD1 HIS 83 HD1 HIS 83 -0.652 5.425 4.855 651 HD2 HIS 83 HD2 HIS 83 -2.106 1.655 6.017 652 HE1 HIS 83 HE1 HIS 83 -2.627 5.864 6.370 653 H PHE 84 H PHE 84 -0.738 0.185 2.780 654 HA PHE 84 HA PHE 84 -3.523 0.655 1.780 655 HB2 PHE 84 HB1 PHE 84 -1.868 -1.867 2.071 656 HB3 PHE 84 HB2 PHE 84 -3.590 -1.832 1.630 657 HD1 PHE 84 HD2 PHE 84 -4.263 -0.418 -0.430 658 HD2 PHE 84 HD1 PHE 84 -0.227 -1.732 0.354 659 HE1 PHE 84 HE2 PHE 84 -3.714 -0.191 -2.836 660 HE2 PHE 84 HE1 PHE 84 0.330 -1.425 -2.048 661 HZ PHE 84 HZ PHE 84 -1.408 -0.624 -3.638 662 H MET 85 H MET 85 -5.210 0.417 3.054 663 HA MET 85 HA MET 85 -4.940 -0.904 5.722 664 HB2 MET 85 HB1 MET 85 -6.869 1.108 4.583 665 HB3 MET 85 HB2 MET 85 -7.452 -0.045 5.806 666 HG2 MET 85 HG1 MET 85 -5.003 1.694 6.213 667 HG3 MET 85 HG2 MET 85 -6.659 2.172 6.683 668 HE1 MET 85 HE1 MET 85 -3.736 -0.431 7.308 669 HE2 MET 85 HE2 MET 85 -3.497 1.146 8.100 670 HE3 MET 85 HE3 MET 85 -3.778 -0.336 9.070 671 H LEU 86 H LEU 86 -5.925 -2.764 6.079 672 HA LEU 86 HA LEU 86 -7.442 -4.093 3.864 673 HB2 LEU 86 HB1 LEU 86 -5.257 -5.151 5.705 674 HB3 LEU 86 HB2 LEU 86 -6.348 -6.204 4.774 675 HG LEU 86 HG LEU 86 -4.348 -6.208 3.614 676 HD11 LEU 86 HD11 LEU 86 -5.848 -4.040 2.103 677 HD12 LEU 86 HD12 LEU 86 -6.378 -5.719 2.149 678 HD13 LEU 86 HD13 LEU 86 -4.804 -5.305 1.445 679 HD21 LEU 86 HD21 LEU 86 -3.317 -4.199 4.741 680 HD22 LEU 86 HD22 LEU 86 -4.166 -3.186 3.544 681 HD23 LEU 86 HD23 LEU 86 -2.965 -4.364 3.009 682 H LEU 87 H LEU 87 -9.207 -5.241 4.451 683 HA LEU 87 HA LEU 87 -9.949 -5.624 7.311 684 HB2 LEU 87 HB1 LEU 87 -11.012 -3.749 5.273 685 HB3 LEU 87 HB2 LEU 87 -12.280 -4.706 6.049 686 HG LEU 87 HG LEU 87 -10.214 -3.151 7.655 687 HD11 LEU 87 HD11 LEU 87 -11.906 -1.344 7.828 688 HD12 LEU 87 HD12 LEU 87 -12.934 -2.192 6.652 689 HD13 LEU 87 HD13 LEU 87 -11.348 -1.554 6.162 690 HD21 LEU 87 HD21 LEU 87 -11.969 -3.282 9.396 691 HD22 LEU 87 HD22 LEU 87 -11.559 -4.914 8.833 692 HD23 LEU 87 HD23 LEU 87 -13.048 -4.125 8.266 693 H GLY 88 H GLY 88 -10.959 -7.505 7.715 694 HA2 GLY 88 HA3 GLY 88 -12.332 -9.380 7.389 695 HA3 GLY 88 HA2 GLY 88 -12.627 -8.873 5.710 696 H LEU 89 H LEU 89 -10.135 -10.333 7.862 697 HA LEU 89 HA LEU 89 -8.415 -10.800 5.606 698 HB2 LEU 89 HB1 LEU 89 -7.979 -11.680 8.455 699 HB3 LEU 89 HB2 LEU 89 -6.747 -11.472 7.199 700 HG LEU 89 HG LEU 89 -8.347 -9.338 8.641 701 HD11 LEU 89 HD11 LEU 89 -5.352 -9.808 8.502 702 HD12 LEU 89 HD12 LEU 89 -6.402 -10.339 9.832 703 HD13 LEU 89 HD13 LEU 89 -6.199 -8.606 9.497 704 HD21 LEU 89 HD21 LEU 89 -8.079 -8.573 6.285 705 HD22 LEU 89 HD22 LEU 89 -6.327 -8.858 6.406 706 HD23 LEU 89 HD23 LEU 89 -7.107 -7.614 7.403 707 H LYS 90 H LYS 90 -8.290 -12.535 4.292 708 HA LYS 90 HA LYS 90 -9.962 -14.832 5.042 709 HB2 LYS 90 HB1 LYS 90 -8.657 -14.917 2.411 710 HB3 LYS 90 HB2 LYS 90 -10.331 -15.259 2.903 711 HG2 LYS 90 HG1 LYS 90 -10.647 -12.720 3.043 712 HG3 LYS 90 HG2 LYS 90 -9.053 -12.572 2.266 713 HD2 LYS 90 HD1 LYS 90 -9.925 -14.064 0.400 714 HD3 LYS 90 HD2 LYS 90 -11.527 -14.005 1.189 715 HE2 LYS 90 HE1 LYS 90 -11.180 -11.409 1.064 716 HE3 LYS 90 HE2 LYS 90 -9.982 -11.770 -0.176 717 HZ1 LYS 90 HZ1 LYS 90 -12.211 -11.361 -1.066 718 HZ2 LYS 90 HZ2 LYS 90 -12.870 -12.435 -0.157 719 HZ3 LYS 90 HZ3 LYS 90 -11.844 -12.961 -1.374 720 H ARG 91 H ARG 91 -6.661 -14.288 5.293 721 HA ARG 91 HA ARG 91 -6.409 -17.076 6.151 722 HB2 ARG 91 HB1 ARG 91 -4.077 -17.264 5.488 723 HB3 ARG 91 HB2 ARG 91 -5.135 -17.109 4.081 724 HG2 ARG 91 HG1 ARG 91 -4.232 -14.485 4.778 725 HG3 ARG 91 HG2 ARG 91 -2.809 -15.529 4.853 726 HD2 ARG 91 HD1 ARG 91 -4.693 -15.570 2.482 727 HD3 ARG 91 HD2 ARG 91 -3.437 -14.343 2.608 728 HE ARG 91 HE ARG 91 -2.973 -17.276 2.355 729 HH11 ARG 91 HH12 ARG 91 -0.978 -14.405 2.292 730 HH12 ARG 91 HH11 ARG 91 -0.730 -14.482 0.549 731 HH21 ARG 91 HH22 ARG 91 -1.864 -17.718 0.403 732 HH22 ARG 91 HH21 ARG 91 -1.006 -16.429 -0.383 733 HA PRO 92 HA PRO 92 -4.877 -14.620 9.656 734 HB2 PRO 92 HB1 PRO 92 -3.722 -16.544 11.205 735 HB3 PRO 92 HB2 PRO 92 -5.497 -16.370 11.069 736 HG2 PRO 92 HG1 PRO 92 -3.681 -18.303 9.609 737 HG3 PRO 92 HG2 PRO 92 -5.265 -18.641 10.393 738 HD2 PRO 92 HD1 PRO 92 -4.957 -18.194 7.676 739 HD3 PRO 92 HD2 PRO 92 -6.443 -17.760 8.566 740 H LEU 93 H LEU 93 -3.052 -13.479 9.615 741 HA LEU 93 HA LEU 93 -1.162 -13.879 7.534 742 HB2 LEU 93 HB1 LEU 93 -1.537 -11.948 9.825 743 HB3 LEU 93 HB2 LEU 93 -0.055 -11.857 8.859 744 HG LEU 93 HG LEU 93 -1.818 -10.220 8.258 745 HD11 LEU 93 HD11 LEU 93 -1.009 -12.132 6.031 746 HD12 LEU 93 HD12 LEU 93 -0.056 -10.775 6.680 747 HD13 LEU 93 HD13 LEU 93 -1.570 -10.460 5.825 748 HD21 LEU 93 HD21 LEU 93 -3.327 -12.541 7.014 749 HD22 LEU 93 HD22 LEU 93 -3.759 -10.826 6.972 750 HD23 LEU 93 HD23 LEU 93 -3.817 -11.706 8.510 751 H LYS 94 H LYS 94 0.076 -15.729 7.649 752 HA LYS 94 HA LYS 94 1.459 -16.497 10.077 753 HB2 LYS 94 HB1 LYS 94 0.933 -18.270 8.742 754 HB3 LYS 94 HB2 LYS 94 1.281 -17.418 7.224 755 HG2 LYS 94 HG1 LYS 94 2.761 -19.283 7.578 756 HG3 LYS 94 HG2 LYS 94 3.627 -17.741 7.475 757 HD2 LYS 94 HD1 LYS 94 3.832 -17.748 9.971 758 HD3 LYS 94 HD2 LYS 94 3.030 -19.330 10.008 759 HE2 LYS 94 HE1 LYS 94 4.841 -20.397 8.902 760 HE3 LYS 94 HE2 LYS 94 5.403 -18.859 8.182 761 HZ1 LYS 94 HZ1 LYS 94 6.862 -19.605 9.939 762 HZ2 LYS 94 HZ2 LYS 94 5.635 -19.555 11.046 763 HZ3 LYS 94 HZ3 LYS 94 6.157 -18.172 10.303 764 H ALA 95 H ALA 95 2.919 -15.050 10.909 765 HA ALA 95 HA ALA 95 4.766 -13.438 9.583 766 HB1 ALA 95 HB1 ALA 95 6.183 -13.692 11.586 767 HB2 ALA 95 HB2 ALA 95 4.477 -13.473 12.013 768 HB3 ALA 95 HB3 ALA 95 5.217 -15.091 12.104 769 H GLY 96 H GLY 96 5.977 -13.898 7.879 770 HA2 GLY 96 HA3 GLY 96 7.778 -14.922 6.748 771 HA3 GLY 96 HA2 GLY 96 7.596 -16.370 7.764 772 H GLU 97 H GLU 97 4.568 -15.247 6.374 773 HA GLU 97 HA GLU 97 4.912 -16.929 3.951 774 HB2 GLU 97 HB1 GLU 97 2.659 -16.664 3.429 775 HB3 GLU 97 HB2 GLU 97 2.679 -17.045 5.145 776 HG2 GLU 97 HG1 GLU 97 2.401 -14.576 5.600 777 HG3 GLU 97 HG2 GLU 97 2.257 -14.308 3.856 778 H GLU 98 H GLU 98 4.050 -15.677 1.981 779 HA GLU 98 HA GLU 98 4.994 -12.862 1.904 780 HB2 GLU 98 HB1 GLU 98 5.411 -15.024 -0.186 781 HB3 GLU 98 HB2 GLU 98 5.612 -13.281 -0.488 782 HG2 GLU 98 HG1 GLU 98 7.405 -13.164 1.170 783 HG3 GLU 98 HG2 GLU 98 7.188 -14.877 1.578 784 H VAL 99 H VAL 99 3.577 -11.513 0.901 785 HA VAL 99 HA VAL 99 0.953 -12.655 0.107 786 HB VAL 99 HB VAL 99 1.712 -9.775 0.660 787 HG11 VAL 99 HG11 VAL 99 -0.176 -9.942 -0.880 788 HG12 VAL 99 HG12 VAL 99 -0.974 -11.128 0.170 789 HG13 VAL 99 HG13 VAL 99 -0.759 -9.444 0.714 790 HG21 VAL 99 HG21 VAL 99 0.478 -11.971 2.376 791 HG22 VAL 99 HG22 VAL 99 1.922 -10.992 2.705 792 HG23 VAL 99 HG23 VAL 99 0.325 -10.249 2.768 793 H GLU 100 H GLU 100 0.472 -12.942 -1.799 794 HA GLU 100 HA GLU 100 2.173 -12.253 -4.041 795 HB2 GLU 100 HB1 GLU 100 0.807 -13.913 -5.191 796 HB3 GLU 100 HB2 GLU 100 1.405 -14.525 -3.649 797 HG2 GLU 100 HG1 GLU 100 -1.386 -13.371 -3.888 798 HG3 GLU 100 HG2 GLU 100 -1.031 -15.037 -4.416 799 H LEU 101 H LEU 101 1.243 -9.898 -3.325 800 HA LEU 101 HA LEU 101 -1.412 -9.180 -4.005 801 HB2 LEU 101 HB1 LEU 101 1.041 -7.897 -2.987 802 HB3 LEU 101 HB2 LEU 101 -0.005 -6.791 -3.913 803 HG LEU 101 HG LEU 101 -1.341 -8.417 -1.823 804 HD11 LEU 101 HD11 LEU 101 -0.674 -6.773 -0.100 805 HD12 LEU 101 HD12 LEU 101 0.445 -6.020 -1.281 806 HD13 LEU 101 HD13 LEU 101 0.732 -7.680 -0.706 807 HD21 LEU 101 HD21 LEU 101 -2.495 -6.675 -3.301 808 HD22 LEU 101 HD22 LEU 101 -1.494 -5.455 -2.490 809 HD23 LEU 101 HD23 LEU 101 -2.662 -6.389 -1.554 810 H ASP 102 H ASP 102 -2.372 -8.502 -5.643 811 HA ASP 102 HA ASP 102 -1.143 -7.921 -8.288 812 HB2 ASP 102 HB1 ASP 102 -3.913 -8.421 -7.187 813 HB3 ASP 102 HB2 ASP 102 -3.623 -7.955 -8.860 814 H LEU 103 H LEU 103 -0.231 -5.840 -7.981 815 HA LEU 103 HA LEU 103 -1.725 -3.651 -6.861 816 HB2 LEU 103 HB1 LEU 103 0.622 -3.448 -8.744 817 HB3 LEU 103 HB2 LEU 103 0.108 -2.279 -7.521 818 HG LEU 103 HG LEU 103 1.417 -4.996 -7.069 819 HD11 LEU 103 HD11 LEU 103 2.922 -3.217 -7.844 820 HD12 LEU 103 HD12 LEU 103 3.268 -3.656 -6.163 821 HD13 LEU 103 HD13 LEU 103 2.378 -2.161 -6.517 822 HD21 LEU 103 HD21 LEU 103 1.502 -4.396 -4.660 823 HD22 LEU 103 HD22 LEU 103 -0.134 -4.677 -5.238 824 HD23 LEU 103 HD23 LEU 103 0.436 -3.007 -4.979 825 H LEU 104 H LEU 104 -3.265 -2.451 -7.746 826 HA LEU 104 HA LEU 104 -4.137 -3.053 -10.508 827 HB2 LEU 104 HB1 LEU 104 -5.569 -1.444 -8.374 828 HB3 LEU 104 HB2 LEU 104 -6.274 -2.157 -9.832 829 HG LEU 104 HG LEU 104 -5.266 -3.608 -7.393 830 HD11 LEU 104 HD11 LEU 104 -7.615 -4.172 -6.992 831 HD12 LEU 104 HD12 LEU 104 -8.094 -3.237 -8.428 832 HD13 LEU 104 HD13 LEU 104 -7.372 -2.419 -7.026 833 HD21 LEU 104 HD21 LEU 104 -4.904 -5.030 -9.373 834 HD22 LEU 104 HD22 LEU 104 -6.566 -4.733 -9.922 835 HD23 LEU 104 HD23 LEU 104 -6.262 -5.662 -8.437 836 H PHE 105 H PHE 105 -3.852 -1.649 -12.174 837 HA PHE 105 HA PHE 105 -3.330 1.221 -11.491 838 HB2 PHE 105 HB1 PHE 105 -2.078 -0.582 -13.561 839 HB3 PHE 105 HB2 PHE 105 -1.916 1.182 -13.588 840 HD1 PHE 105 HD2 PHE 105 -0.632 2.365 -11.912 841 HD2 PHE 105 HD1 PHE 105 -0.845 -1.945 -11.910 842 HE1 PHE 105 HE2 PHE 105 1.440 2.276 -10.582 843 HE2 PHE 105 HE1 PHE 105 1.191 -2.026 -10.497 844 HZ PHE 105 HZ PHE 105 2.327 0.075 -9.816 845 H ALA 106 H ALA 106 -4.513 2.618 -12.349 846 HA ALA 106 HA ALA 106 -6.105 3.779 -13.533 847 HB1 ALA 106 HB1 ALA 106 -4.486 2.524 -15.794 848 HB2 ALA 106 HB2 ALA 106 -5.333 4.079 -15.830 849 HB3 ALA 106 HB3 ALA 106 -3.932 3.868 -14.763 850 H GLY 107 H GLY 107 -6.972 0.735 -13.258 851 HA2 GLY 107 HA3 GLY 107 -8.790 -0.525 -13.932 852 HA3 GLY 107 HA2 GLY 107 -9.355 0.844 -14.917 853 H GLY 108 H GLY 108 -6.171 0.156 -15.749 854 HA2 GLY 108 HA3 GLY 108 -7.022 -1.473 -18.108 855 HA3 GLY 108 HA2 GLY 108 -6.039 0.001 -18.255 856 H LYS 109 H LYS 109 -4.752 -1.363 -15.572 857 HA LYS 109 HA LYS 109 -3.219 -3.581 -16.749 858 HB2 LYS 109 HB1 LYS 109 -2.198 -0.895 -16.363 859 HB3 LYS 109 HB2 LYS 109 -1.417 -1.981 -15.177 860 HG2 LYS 109 HG1 LYS 109 -0.045 -1.731 -17.105 861 HG3 LYS 109 HG2 LYS 109 -0.584 -3.405 -16.926 862 HD2 LYS 109 HD1 LYS 109 -0.531 -2.754 -19.265 863 HD3 LYS 109 HD2 LYS 109 -2.197 -3.063 -18.766 864 HE2 LYS 109 HE1 LYS 109 -2.215 -0.439 -18.332 865 HE3 LYS 109 HE2 LYS 109 -0.798 -0.433 -19.390 866 HZ1 LYS 109 HZ1 LYS 109 -3.479 -1.516 -20.048 867 HZ2 LYS 109 HZ2 LYS 109 -2.205 -1.500 -21.091 868 HZ3 LYS 109 HZ3 LYS 109 -2.895 -0.084 -20.599 869 H VAL 110 H VAL 110 -2.263 -4.954 -15.130 870 HA VAL 110 HA VAL 110 -2.399 -4.196 -12.351 871 HB VAL 110 HB VAL 110 -4.455 -5.369 -12.541 872 HG11 VAL 110 HG11 VAL 110 -3.019 -7.713 -13.829 873 HG12 VAL 110 HG12 VAL 110 -4.719 -7.677 -13.323 874 HG13 VAL 110 HG13 VAL 110 -4.171 -6.609 -14.617 875 HG21 VAL 110 HG21 VAL 110 -2.458 -7.351 -11.346 876 HG22 VAL 110 HG22 VAL 110 -3.065 -5.904 -10.521 877 HG23 VAL 110 HG23 VAL 110 -4.183 -7.206 -10.962 878 H LEU 111 H LEU 111 -0.597 -4.937 -11.288 879 HA LEU 111 HA LEU 111 1.333 -6.712 -12.742 880 HB2 LEU 111 HB1 LEU 111 1.856 -3.985 -11.487 881 HB3 LEU 111 HB2 LEU 111 3.118 -5.074 -12.076 882 HG LEU 111 HG LEU 111 0.974 -3.757 -13.807 883 HD11 LEU 111 HD11 LEU 111 2.543 -2.105 -12.863 884 HD12 LEU 111 HD12 LEU 111 2.792 -2.303 -14.606 885 HD13 LEU 111 HD13 LEU 111 3.920 -3.057 -13.457 886 HD21 LEU 111 HD21 LEU 111 1.808 -5.872 -14.804 887 HD22 LEU 111 HD22 LEU 111 3.481 -5.325 -14.581 888 HD23 LEU 111 HD23 LEU 111 2.401 -4.473 -15.708 889 H LYS 112 H LYS 112 1.757 -8.401 -11.344 890 HA LYS 112 HA LYS 112 1.272 -7.784 -8.506 891 HB2 LYS 112 HB1 LYS 112 0.108 -9.524 -8.288 892 HB3 LYS 112 HB2 LYS 112 0.006 -9.588 -10.025 893 HG2 LYS 112 HG1 LYS 112 1.720 -11.401 -10.024 894 HG3 LYS 112 HG2 LYS 112 1.899 -11.203 -8.254 895 HD2 LYS 112 HD1 LYS 112 -0.690 -11.424 -8.189 896 HD3 LYS 112 HD2 LYS 112 -0.567 -12.123 -9.799 897 HE2 LYS 112 HE1 LYS 112 0.361 -14.092 -8.967 898 HE3 LYS 112 HE2 LYS 112 1.215 -13.225 -7.657 899 HZ1 LYS 112 HZ1 LYS 112 -0.696 -14.570 -6.855 900 HZ2 LYS 112 HZ2 LYS 112 -1.720 -13.594 -7.722 901 HZ3 LYS 112 HZ3 LYS 112 -0.833 -12.961 -6.513 902 H VAL 113 H VAL 113 2.411 -8.398 -6.821 903 HA VAL 113 HA VAL 113 5.294 -9.084 -7.289 904 HB VAL 113 HB VAL 113 5.927 -7.363 -5.634 905 HG11 VAL 113 HG11 VAL 113 5.767 -5.417 -7.113 906 HG12 VAL 113 HG12 VAL 113 6.123 -6.880 -8.048 907 HG13 VAL 113 HG13 VAL 113 4.482 -6.194 -8.054 908 HG21 VAL 113 HG21 VAL 113 4.417 -5.556 -4.993 909 HG22 VAL 113 HG22 VAL 113 3.090 -6.275 -5.926 910 HG23 VAL 113 HG23 VAL 113 3.715 -7.099 -4.490 911 H VAL 114 H VAL 114 6.422 -9.583 -5.119 912 HA VAL 114 HA VAL 114 4.592 -10.926 -3.248 913 HB VAL 114 HB VAL 114 6.555 -12.267 -2.632 914 HG11 VAL 114 HG11 VAL 114 5.200 -12.767 -5.320 915 HG12 VAL 114 HG12 VAL 114 6.010 -14.002 -4.332 916 HG13 VAL 114 HG13 VAL 114 4.553 -13.203 -3.723 917 HG21 VAL 114 HG21 VAL 114 7.423 -11.522 -5.425 918 HG22 VAL 114 HG22 VAL 114 8.210 -11.002 -3.916 919 HG23 VAL 114 HG23 VAL 114 8.213 -12.724 -4.371 920 H LEU 115 H LEU 115 4.930 -10.525 -1.073 921 HA LEU 115 HA LEU 115 7.307 -9.109 -0.201 922 HB2 LEU 115 HB1 LEU 115 6.019 -7.313 0.945 923 HB3 LEU 115 HB2 LEU 115 6.320 -7.140 -0.782 924 HG LEU 115 HG LEU 115 3.658 -8.242 0.197 925 HD11 LEU 115 HD11 LEU 115 2.864 -5.881 0.335 926 HD12 LEU 115 HD12 LEU 115 4.549 -5.334 0.095 927 HD13 LEU 115 HD13 LEU 115 4.106 -6.265 1.533 928 HD21 LEU 115 HD21 LEU 115 4.537 -6.530 -2.176 929 HD22 LEU 115 HD22 LEU 115 2.849 -6.908 -1.792 930 HD23 LEU 115 HD23 LEU 115 3.949 -8.208 -2.243 931 HA PRO 116 HA PRO 116 6.518 -11.896 3.048 932 HB2 PRO 116 HB1 PRO 116 8.231 -11.021 5.009 933 HB3 PRO 116 HB2 PRO 116 8.751 -11.855 3.511 934 HG2 PRO 116 HG1 PRO 116 8.612 -8.865 4.006 935 HG3 PRO 116 HG2 PRO 116 10.002 -9.806 3.366 936 HD2 PRO 116 HD1 PRO 116 8.333 -8.556 1.667 937 HD3 PRO 116 HD2 PRO 116 8.853 -10.227 1.304 938 H VAL 117 H VAL 117 5.341 -12.217 4.882 939 HA VAL 117 HA VAL 117 3.951 -9.954 6.141 940 HB VAL 117 HB VAL 117 3.835 -12.954 6.501 941 HG11 VAL 117 HG11 VAL 117 3.424 -11.906 8.700 942 HG12 VAL 117 HG12 VAL 117 2.235 -10.807 7.967 943 HG13 VAL 117 HG13 VAL 117 1.938 -12.568 8.022 944 HG21 VAL 117 HG21 VAL 117 1.915 -10.832 5.416 945 HG22 VAL 117 HG22 VAL 117 2.733 -12.103 4.484 946 HG23 VAL 117 HG23 VAL 117 1.470 -12.517 5.660 947 H GLU 118 H GLU 118 4.922 -8.833 7.513 948 HA GLU 118 HA GLU 118 6.746 -9.853 9.621 949 HB2 GLU 118 HB1 GLU 118 7.096 -7.321 7.969 950 HB3 GLU 118 HB2 GLU 118 8.097 -7.828 9.356 951 HG2 GLU 118 HG1 GLU 118 8.645 -9.940 8.084 952 HG3 GLU 118 HG2 GLU 118 7.830 -9.247 6.668 953 H ALA 119 H ALA 119 6.942 -7.425 11.053 954 HA ALA 119 HA ALA 119 4.089 -7.061 11.879 955 HB1 ALA 119 HB1 ALA 119 5.059 -9.080 12.892 956 HB2 ALA 119 HB2 ALA 119 6.381 -8.104 13.577 957 HB3 ALA 119 HB3 ALA 119 4.708 -7.842 14.110 958 H ARG 120 H ARG 120 5.055 -4.856 10.754 959 HA ARG 120 HA ARG 120 5.006 -2.978 12.960 960 HB2 ARG 120 HB1 ARG 120 7.395 -3.498 13.075 961 HB3 ARG 120 HB2 ARG 120 7.594 -3.094 11.355 962 HG2 ARG 120 HG1 ARG 120 7.025 -0.790 11.744 963 HG3 ARG 120 HG2 ARG 120 6.474 -1.133 13.399 964 HD2 ARG 120 HD1 ARG 120 8.774 -1.638 14.083 965 HD3 ARG 120 HD2 ARG 120 9.338 -1.388 12.411 966 HE ARG 120 HE ARG 120 9.237 0.883 12.711 967 HH11 ARG 120 HH12 ARG 120 7.442 -0.510 15.373 968 HH12 ARG 120 HH11 ARG 120 7.290 1.012 16.204 969 HH21 ARG 120 HH22 ARG 120 8.900 2.813 13.764 970 HH22 ARG 120 HH21 ARG 120 8.100 2.839 15.307 Start of MODEL 29 1 H1 GLY 1 1H GLY 1 12.486 -10.003 -13.098 2 H2 GLY 1 2H GLY 1 13.552 -11.269 -13.034 3 H3 GLY 1 3H GLY 1 14.050 -9.756 -13.495 4 HA2 GLY 1 HA3 GLY 1 13.022 -10.404 -10.817 5 HA3 GLY 1 HA2 GLY 1 14.746 -10.262 -11.228 6 H SER 2 H SER 2 14.042 -8.506 -9.302 7 HA SER 2 HA SER 2 14.335 -5.894 -10.452 8 HB2 SER 2 HB1 SER 2 11.848 -6.262 -10.730 9 HB3 SER 2 HB2 SER 2 11.735 -6.516 -8.975 10 HG SER 2 HG SER 2 11.636 -4.439 -8.813 11 H PHE 3 H PHE 3 14.386 -4.320 -8.605 12 HA PHE 3 HA PHE 3 14.651 -5.516 -5.887 13 HB2 PHE 3 HB1 PHE 3 15.920 -2.956 -6.928 14 HB3 PHE 3 HB2 PHE 3 15.924 -3.529 -5.245 15 HD1 PHE 3 HD1 PHE 3 16.997 -5.826 -4.765 16 HD2 PHE 3 HD2 PHE 3 17.649 -3.631 -8.416 17 HE1 PHE 3 HE1 PHE 3 19.044 -7.162 -5.209 18 HE2 PHE 3 HE2 PHE 3 19.702 -4.958 -8.852 19 HZ PHE 3 HZ PHE 3 20.402 -6.729 -7.249 20 H THR 4 H THR 4 12.760 -5.226 -4.981 21 HA THR 4 HA THR 4 11.223 -2.782 -5.123 22 HB THR 4 HB THR 4 9.777 -5.265 -5.887 23 HG1 THR 4 HG1 THR 4 9.648 -3.824 -8.013 24 HG21 THR 4 HG21 THR 4 8.997 -2.349 -6.094 25 HG22 THR 4 HG22 THR 4 8.397 -3.546 -4.928 26 HG23 THR 4 HG23 THR 4 8.006 -3.711 -6.642 27 H GLU 5 H GLU 5 10.905 -2.610 -3.157 28 HA GLU 5 HA GLU 5 11.254 -4.921 -1.314 29 HB2 GLU 5 HB1 GLU 5 11.885 -2.022 -0.735 30 HB3 GLU 5 HB2 GLU 5 12.481 -3.462 0.109 31 HG2 GLU 5 HG1 GLU 5 13.227 -2.479 -2.670 32 HG3 GLU 5 HG2 GLU 5 14.263 -2.525 -1.233 33 H GLY 6 H GLY 6 9.675 -5.388 0.148 34 HA2 GLY 6 HA3 GLY 6 8.102 -3.356 1.466 35 HA3 GLY 6 HA2 GLY 6 7.165 -4.214 0.222 36 H TRP 7 H TRP 7 6.139 -4.377 2.631 37 HA TRP 7 HA TRP 7 6.412 -7.191 3.317 38 HB2 TRP 7 HB1 TRP 7 6.904 -6.901 5.649 39 HB3 TRP 7 HB2 TRP 7 8.204 -6.209 4.686 40 HD1 TRP 7 HD TRP 7 5.887 -5.488 7.461 41 HE1 TRP 7 HE1 TRP 7 6.094 -3.056 8.268 42 HE3 TRP 7 3HE TRP 7 8.751 -3.564 3.659 43 HZ2 TRP 7 HZ2 TRP 7 7.255 -0.602 7.364 44 HZ3 TRP 7 HZ3 TRP 7 9.331 -1.160 3.631 45 HH2 TRP 7 HH TRP 7 8.613 0.328 5.475 46 H VAL 8 H VAL 8 4.661 -8.043 4.509 47 HA VAL 8 HA VAL 8 2.323 -6.156 4.802 48 HB VAL 8 HB VAL 8 2.288 -9.146 4.334 49 HG11 VAL 8 HG11 VAL 8 -0.194 -8.774 4.077 50 HG12 VAL 8 HG12 VAL 8 0.370 -8.483 5.724 51 HG13 VAL 8 HG13 VAL 8 0.023 -7.110 4.648 52 HG21 VAL 8 HG21 VAL 8 1.228 -8.398 2.157 53 HG22 VAL 8 HG22 VAL 8 1.654 -6.736 2.558 54 HG23 VAL 8 HG23 VAL 8 2.924 -7.953 2.297 55 H ARG 9 H ARG 9 1.502 -5.774 6.693 56 HA ARG 9 HA ARG 9 3.259 -6.142 8.844 57 HB2 ARG 9 HB1 ARG 9 1.693 -4.192 8.171 58 HB3 ARG 9 HB2 ARG 9 0.469 -5.015 9.140 59 HG2 ARG 9 HG1 ARG 9 2.773 -4.970 10.768 60 HG3 ARG 9 HG2 ARG 9 2.788 -3.390 9.957 61 HD2 ARG 9 HD1 ARG 9 1.634 -3.079 12.007 62 HD3 ARG 9 HD2 ARG 9 0.396 -3.078 10.740 63 HE ARG 9 HE ARG 9 -0.357 -5.216 11.504 64 HH11 ARG 9 HH12 ARG 9 2.532 -4.316 13.364 65 HH12 ARG 9 HH11 ARG 9 2.189 -5.457 14.609 66 HH21 ARG 9 HH22 ARG 9 -0.597 -6.779 12.944 67 HH22 ARG 9 HH21 ARG 9 0.388 -6.852 14.387 68 H PHE 10 H PHE 10 0.746 -8.256 8.048 69 HA PHE 10 HA PHE 10 -0.254 -10.014 9.052 70 HB2 PHE 10 HB1 PHE 10 1.429 -11.174 9.833 71 HB3 PHE 10 HB2 PHE 10 2.314 -9.777 10.405 72 HD1 PHE 10 HD1 PHE 10 1.545 -8.800 12.770 73 HD2 PHE 10 HD2 PHE 10 0.559 -12.719 11.306 74 HE1 PHE 10 HE1 PHE 10 1.109 -9.557 15.095 75 HE2 PHE 10 HE2 PHE 10 0.105 -13.478 13.616 76 HZ PHE 10 HZ PHE 10 0.378 -11.897 15.522 77 H SER 11 H SER 11 -1.598 -10.839 10.739 78 HA SER 11 HA SER 11 -2.133 -9.426 13.139 79 HB2 SER 11 HB1 SER 11 -3.408 -8.023 11.493 80 HB3 SER 11 HB2 SER 11 -4.395 -9.443 11.115 81 HG SER 11 HG SER 11 -5.278 -7.970 12.598 82 HA PRO 12 HA PRO 12 -4.108 -13.538 13.666 83 HB2 PRO 12 HB1 PRO 12 -4.795 -13.435 16.266 84 HB3 PRO 12 HB2 PRO 12 -3.072 -13.499 15.786 85 HG2 PRO 12 HG1 PRO 12 -4.706 -11.048 16.516 86 HG3 PRO 12 HG2 PRO 12 -3.084 -11.521 17.139 87 HD2 PRO 12 HD1 PRO 12 -3.480 -9.753 15.036 88 HD3 PRO 12 HD2 PRO 12 -2.036 -10.795 15.181 89 H GLY 13 H GLY 13 -5.483 -10.394 13.706 90 HA2 GLY 13 HA3 GLY 13 -8.271 -11.398 13.983 91 HA3 GLY 13 HA2 GLY 13 -7.717 -9.831 14.614 92 HA PRO 14 HA PRO 14 -9.738 -9.633 10.475 93 HB2 PRO 14 HB1 PRO 14 -11.536 -7.601 10.863 94 HB3 PRO 14 HB2 PRO 14 -11.791 -9.276 11.444 95 HG2 PRO 14 HG1 PRO 14 -10.687 -6.918 13.003 96 HG3 PRO 14 HG2 PRO 14 -12.002 -8.049 13.490 97 HD2 PRO 14 HD1 PRO 14 -9.443 -8.405 14.343 98 HD3 PRO 14 HD2 PRO 14 -10.455 -9.803 13.880 99 H ASN 15 H ASN 15 -8.261 -6.809 12.128 100 HA ASN 15 HA ASN 15 -7.952 -5.442 9.506 101 HB2 ASN 15 HB1 ASN 15 -7.280 -4.574 12.342 102 HB3 ASN 15 HB2 ASN 15 -6.988 -3.590 10.894 103 HD21 ASN 15 HD21 ASN 15 -8.561 -2.174 10.285 104 HD22 ASN 15 HD22 ASN 15 -10.194 -2.221 10.933 105 H ALA 16 H ALA 16 -6.000 -4.811 8.696 106 HA ALA 16 HA ALA 16 -3.466 -5.150 10.021 107 HB1 ALA 16 HB1 ALA 16 -4.077 -6.946 7.627 108 HB2 ALA 16 HB2 ALA 16 -2.447 -6.675 8.282 109 HB3 ALA 16 HB3 ALA 16 -3.663 -7.460 9.278 110 H ALA 17 H ALA 17 -1.676 -4.791 8.133 111 HA ALA 17 HA ALA 17 -2.462 -2.523 6.424 112 HB1 ALA 17 HB1 ALA 17 -1.697 -1.620 8.677 113 HB2 ALA 17 HB2 ALA 17 -0.142 -2.423 8.412 114 HB3 ALA 17 HB3 ALA 17 -0.668 -1.125 7.325 115 H ALA 18 H ALA 18 -0.633 -1.922 4.921 116 HA ALA 18 HA ALA 18 1.635 -3.772 4.677 117 HB1 ALA 18 HB1 ALA 18 -0.402 -3.528 2.421 118 HB2 ALA 18 HB2 ALA 18 1.151 -4.375 2.331 119 HB3 ALA 18 HB3 ALA 18 -0.122 -4.978 3.410 120 H TYR 19 H TYR 19 3.281 -3.059 3.266 121 HA TYR 19 HA TYR 19 3.264 -0.251 2.291 122 HB2 TYR 19 HB1 TYR 19 5.506 -1.160 4.053 123 HB3 TYR 19 HB2 TYR 19 4.910 0.470 3.775 124 HD1 TYR 19 HD1 TYR 19 2.981 1.320 5.098 125 HD2 TYR 19 HD2 TYR 19 4.555 -2.623 5.719 126 HE1 TYR 19 HE1 TYR 19 1.852 1.231 7.327 127 HE2 TYR 19 HE2 TYR 19 3.471 -2.737 7.935 128 HH TYR 19 HH TYR 19 1.612 0.026 9.283 129 H LEU 20 H LEU 20 4.916 0.087 0.659 130 HA LEU 20 HA LEU 20 6.960 -1.812 0.087 131 HB2 LEU 20 HB1 LEU 20 6.171 -3.014 -1.774 132 HB3 LEU 20 HB2 LEU 20 4.979 -3.272 -0.518 133 HG LEU 20 HG LEU 20 4.650 -1.269 -2.802 134 HD11 LEU 20 HD11 LEU 20 3.388 -2.882 -3.988 135 HD12 LEU 20 HD12 LEU 20 3.402 -4.029 -2.655 136 HD13 LEU 20 HD13 LEU 20 4.900 -3.669 -3.558 137 HD21 LEU 20 HD21 LEU 20 3.156 -0.799 -0.874 138 HD22 LEU 20 HD22 LEU 20 2.590 -2.478 -0.896 139 HD23 LEU 20 HD23 LEU 20 2.257 -1.390 -2.263 140 H THR 21 H THR 21 8.123 -1.539 -1.792 141 HA THR 21 HA THR 21 8.284 1.097 -2.998 142 HB THR 21 HB THR 21 9.554 -1.500 -3.918 143 HG1 THR 21 HG1 THR 21 10.021 -0.954 -1.709 144 HG21 THR 21 HG21 THR 21 9.717 0.431 -5.519 145 HG22 THR 21 HG22 THR 21 11.293 -0.032 -4.836 146 HG23 THR 21 HG23 THR 21 10.442 1.403 -4.225 147 H LEU 22 H LEU 22 7.313 1.787 -4.844 148 HA LEU 22 HA LEU 22 6.134 -0.162 -6.757 149 HB2 LEU 22 HB1 LEU 22 4.510 1.062 -5.458 150 HB3 LEU 22 HB2 LEU 22 5.305 2.607 -5.770 151 HG LEU 22 HG LEU 22 4.128 0.949 -8.039 152 HD11 LEU 22 HD11 LEU 22 2.848 2.879 -6.074 153 HD12 LEU 22 HD12 LEU 22 2.448 1.165 -6.282 154 HD13 LEU 22 HD13 LEU 22 2.058 2.328 -7.581 155 HD21 LEU 22 HD21 LEU 22 5.456 3.036 -8.685 156 HD22 LEU 22 HD22 LEU 22 4.405 3.960 -7.603 157 HD23 LEU 22 HD23 LEU 22 3.743 3.184 -9.055 158 H GLU 23 H GLU 23 6.557 0.110 -8.837 159 HA GLU 23 HA GLU 23 8.456 2.222 -9.739 160 HB2 GLU 23 HB1 GLU 23 8.956 0.535 -11.534 161 HB3 GLU 23 HB2 GLU 23 9.517 0.170 -9.911 162 HG2 GLU 23 HG1 GLU 23 6.942 -1.023 -10.981 163 HG3 GLU 23 HG2 GLU 23 8.529 -1.707 -11.428 164 H ASN 24 H ASN 24 7.876 3.653 -11.208 165 HA ASN 24 HA ASN 24 6.258 2.612 -13.490 166 HB2 ASN 24 HB1 ASN 24 5.686 4.906 -12.663 167 HB3 ASN 24 HB2 ASN 24 7.312 5.429 -13.128 168 HD21 ASN 24 HD21 ASN 24 5.031 6.568 -14.295 169 HD22 ASN 24 HD22 ASN 24 5.017 6.086 -15.999 170 HA PRO 25 HA PRO 25 10.499 2.080 -15.089 171 HB2 PRO 25 HB1 PRO 25 10.130 -0.191 -16.525 172 HB3 PRO 25 HB2 PRO 25 10.133 -0.243 -14.735 173 HG2 PRO 25 HG1 PRO 25 7.723 -0.084 -16.578 174 HG3 PRO 25 HG2 PRO 25 8.000 -1.250 -15.238 175 HD2 PRO 25 HD1 PRO 25 6.541 1.067 -14.947 176 HD3 PRO 25 HD2 PRO 25 7.520 0.379 -13.621 177 H GLY 26 H GLY 26 7.523 2.879 -16.601 178 HA2 GLY 26 HA3 GLY 26 8.494 2.738 -19.369 179 HA3 GLY 26 HA2 GLY 26 6.859 3.154 -18.807 180 H ASP 27 H ASP 27 7.472 4.660 -20.651 181 HA ASP 27 HA ASP 27 9.017 7.052 -19.889 182 HB2 ASP 27 HB1 ASP 27 7.968 5.992 -22.539 183 HB3 ASP 27 HB2 ASP 27 9.026 7.407 -22.336 184 H LEU 28 H LEU 28 5.820 6.232 -19.742 185 HA LEU 28 HA LEU 28 4.951 9.057 -19.795 186 HB2 LEU 28 HB1 LEU 28 2.759 8.387 -20.575 187 HB3 LEU 28 HB2 LEU 28 4.043 7.944 -21.732 188 HG LEU 28 HG LEU 28 3.839 5.556 -20.789 189 HD11 LEU 28 HD11 LEU 28 1.298 6.780 -19.608 190 HD12 LEU 28 HD12 LEU 28 2.551 5.854 -18.754 191 HD13 LEU 28 HD13 LEU 28 1.504 5.038 -19.903 192 HD21 LEU 28 HD21 LEU 28 2.992 6.264 -22.995 193 HD22 LEU 28 HD22 LEU 28 1.474 6.811 -22.250 194 HD23 LEU 28 HD23 LEU 28 1.902 5.086 -22.251 195 HA PRO 29 HA PRO 29 4.230 8.450 -15.647 196 HB2 PRO 29 HB1 PRO 29 2.116 9.987 -14.885 197 HB3 PRO 29 HB2 PRO 29 3.605 10.673 -15.604 198 HG2 PRO 29 HG1 PRO 29 0.999 10.015 -16.995 199 HG3 PRO 29 HG2 PRO 29 1.969 11.524 -17.117 200 HD2 PRO 29 HD1 PRO 29 2.113 9.484 -18.959 201 HD3 PRO 29 HD2 PRO 29 3.526 10.488 -18.563 202 H LEU 30 H LEU 30 2.881 7.698 -13.767 203 HA LEU 30 HA LEU 30 0.878 5.631 -14.570 204 HB2 LEU 30 HB1 LEU 30 3.451 5.128 -13.828 205 HB3 LEU 30 HB2 LEU 30 2.634 4.984 -12.280 206 HG LEU 30 HG LEU 30 1.088 3.345 -13.327 207 HD11 LEU 30 HD11 LEU 30 1.165 3.887 -15.701 208 HD12 LEU 30 HD12 LEU 30 1.730 2.235 -15.437 209 HD13 LEU 30 HD13 LEU 30 2.915 3.537 -15.736 210 HD21 LEU 30 HD21 LEU 30 4.004 2.622 -13.768 211 HD22 LEU 30 HD22 LEU 30 2.684 1.500 -13.377 212 HD23 LEU 30 HD23 LEU 30 3.243 2.683 -12.169 213 H ARG 31 H ARG 31 -0.917 5.722 -13.495 214 HA ARG 31 HA ARG 31 -1.090 7.115 -10.840 215 HB2 ARG 31 HB1 ARG 31 -2.393 8.191 -12.678 216 HB3 ARG 31 HB2 ARG 31 -3.341 6.686 -12.823 217 HG2 ARG 31 HG1 ARG 31 -4.264 6.940 -10.650 218 HG3 ARG 31 HG2 ARG 31 -3.118 8.202 -10.186 219 HD2 ARG 31 HD1 ARG 31 -5.133 8.605 -12.412 220 HD3 ARG 31 HD2 ARG 31 -5.499 8.911 -10.689 221 HE ARG 31 HE ARG 31 -3.083 10.288 -11.603 222 HH11 ARG 31 HH12 ARG 31 -6.593 10.680 -11.408 223 HH12 ARG 31 HH11 ARG 31 -6.448 12.415 -11.354 224 HH21 ARG 31 HH22 ARG 31 -2.969 12.393 -11.357 225 HH22 ARG 31 HH21 ARG 31 -4.382 13.399 -11.325 226 H LEU 32 H LEU 32 -1.291 5.799 -9.184 227 HA LEU 32 HA LEU 32 -2.192 2.979 -9.487 228 HB2 LEU 32 HB1 LEU 32 -0.070 3.423 -8.315 229 HB3 LEU 32 HB2 LEU 32 -0.908 4.537 -7.213 230 HG LEU 32 HG LEU 32 -2.370 2.378 -6.648 231 HD11 LEU 32 HD11 LEU 32 -1.257 1.004 -8.486 232 HD12 LEU 32 HD12 LEU 32 -1.220 0.280 -6.870 233 HD13 LEU 32 HD13 LEU 32 0.222 1.055 -7.538 234 HD21 LEU 32 HD21 LEU 32 0.471 2.749 -5.667 235 HD22 LEU 32 HD22 LEU 32 -0.796 1.808 -4.852 236 HD23 LEU 32 HD23 LEU 32 -0.966 3.565 -5.056 237 H VAL 33 H VAL 33 -4.166 2.385 -8.717 238 HA VAL 33 HA VAL 33 -5.843 4.474 -7.337 239 HB VAL 33 HB VAL 33 -7.799 3.590 -8.531 240 HG11 VAL 33 HG11 VAL 33 -5.565 4.364 -10.460 241 HG12 VAL 33 HG12 VAL 33 -7.309 4.534 -10.724 242 HG13 VAL 33 HG13 VAL 33 -6.510 5.498 -9.471 243 HG21 VAL 33 HG21 VAL 33 -5.867 1.882 -10.163 244 HG22 VAL 33 HG22 VAL 33 -7.015 1.253 -8.962 245 HG23 VAL 33 HG23 VAL 33 -7.607 2.059 -10.421 246 H GLY 34 H GLY 34 -4.615 1.256 -7.019 247 HA2 GLY 34 HA3 GLY 34 -5.398 1.136 -4.341 248 HA3 GLY 34 HA2 GLY 34 -6.552 0.150 -5.267 249 H ALA 35 H ALA 35 -5.604 -1.560 -3.891 250 HA ALA 35 HA ALA 35 -3.960 -3.013 -5.707 251 HB1 ALA 35 HB1 ALA 35 -2.226 -2.257 -4.171 252 HB2 ALA 35 HB2 ALA 35 -3.097 -2.984 -2.794 253 HB3 ALA 35 HB3 ALA 35 -2.419 -3.996 -4.098 254 H ARG 36 H ARG 36 -3.892 -5.491 -4.677 255 HA ARG 36 HA ARG 36 -6.046 -6.145 -2.924 256 HB2 ARG 36 HB1 ARG 36 -7.395 -7.587 -4.463 257 HB3 ARG 36 HB2 ARG 36 -7.601 -5.822 -4.627 258 HG2 ARG 36 HG1 ARG 36 -7.647 -6.514 -6.797 259 HG3 ARG 36 HG2 ARG 36 -5.959 -6.029 -6.615 260 HD2 ARG 36 HD1 ARG 36 -5.953 -8.024 -7.872 261 HD3 ARG 36 HD2 ARG 36 -5.415 -8.501 -6.263 262 HE ARG 36 HE ARG 36 -8.219 -8.834 -6.381 263 HH11 ARG 36 HH12 ARG 36 -5.348 -10.252 -7.930 264 HH12 ARG 36 HH11 ARG 36 -6.144 -11.767 -8.235 265 HH21 ARG 36 HH22 ARG 36 -9.197 -10.813 -6.832 266 HH22 ARG 36 HH21 ARG 36 -8.302 -12.061 -7.652 267 H THR 37 H THR 37 -6.074 -8.284 -2.223 268 HA THR 37 HA THR 37 -3.657 -9.922 -2.878 269 HB THR 37 HB THR 37 -3.056 -8.356 -1.222 270 HG1 THR 37 HG1 THR 37 -2.156 -10.339 -1.082 271 HG21 THR 37 HG21 THR 37 -5.176 -7.853 -0.069 272 HG22 THR 37 HG22 THR 37 -3.933 -8.396 1.066 273 HG23 THR 37 HG23 THR 37 -5.225 -9.508 0.578 274 HA PRO 38 HA PRO 38 -6.791 -13.126 -2.054 275 HB2 PRO 38 HB1 PRO 38 -5.301 -15.281 -1.212 276 HB3 PRO 38 HB2 PRO 38 -5.444 -14.754 -2.918 277 HG2 PRO 38 HG1 PRO 38 -3.228 -14.121 -0.962 278 HG3 PRO 38 HG2 PRO 38 -3.083 -14.682 -2.666 279 HD2 PRO 38 HD1 PRO 38 -2.872 -12.051 -2.009 280 HD3 PRO 38 HD2 PRO 38 -3.702 -12.560 -3.503 281 H VAL 39 H VAL 39 -4.315 -12.477 0.464 282 HA VAL 39 HA VAL 39 -5.579 -13.967 2.470 283 HB VAL 39 HB VAL 39 -4.021 -13.063 4.032 284 HG11 VAL 39 HG11 VAL 39 -1.940 -13.575 2.915 285 HG12 VAL 39 HG12 VAL 39 -3.202 -14.610 2.229 286 HG13 VAL 39 HG13 VAL 39 -2.623 -13.192 1.322 287 HG21 VAL 39 HG21 VAL 39 -3.422 -10.848 2.025 288 HG22 VAL 39 HG22 VAL 39 -4.158 -10.650 3.628 289 HG23 VAL 39 HG23 VAL 39 -2.480 -11.180 3.488 290 H ALA 40 H ALA 40 -6.548 -10.828 1.451 291 HA ALA 40 HA ALA 40 -8.141 -10.390 3.957 292 HB1 ALA 40 HB1 ALA 40 -6.871 -8.289 2.160 293 HB2 ALA 40 HB2 ALA 40 -7.804 -7.994 3.636 294 HB3 ALA 40 HB3 ALA 40 -6.223 -8.801 3.736 295 H GLU 41 H GLU 41 -10.272 -9.845 3.699 296 HA GLU 41 HA GLU 41 -11.662 -10.221 1.215 297 HB2 GLU 41 HB1 GLU 41 -12.533 -10.466 3.580 298 HB3 GLU 41 HB2 GLU 41 -12.570 -8.696 3.681 299 HG2 GLU 41 HG1 GLU 41 -14.027 -8.892 1.496 300 HG3 GLU 41 HG2 GLU 41 -14.264 -10.567 2.027 301 H ARG 42 H ARG 42 -10.871 -7.251 3.045 302 HA ARG 42 HA ARG 42 -11.605 -5.532 0.702 303 HB2 ARG 42 HB1 ARG 42 -11.851 -5.062 3.700 304 HB3 ARG 42 HB2 ARG 42 -12.190 -3.829 2.473 305 HG2 ARG 42 HG1 ARG 42 -14.041 -5.103 1.593 306 HG3 ARG 42 HG2 ARG 42 -13.599 -6.504 2.599 307 HD2 ARG 42 HD1 ARG 42 -13.926 -4.674 4.553 308 HD3 ARG 42 HD2 ARG 42 -15.024 -3.977 3.349 309 HE ARG 42 HE ARG 42 -15.677 -6.681 3.377 310 HH11 ARG 42 HH12 ARG 42 -15.695 -4.283 5.963 311 HH12 ARG 42 HH11 ARG 42 -16.603 -5.349 7.012 312 HH21 ARG 42 HH22 ARG 42 -16.567 -7.980 4.727 313 HH22 ARG 42 HH21 ARG 42 -17.247 -7.451 6.253 314 H VAL 43 H VAL 43 -10.567 -3.479 0.647 315 HA VAL 43 HA VAL 43 -7.930 -3.086 1.815 316 HB VAL 43 HB VAL 43 -7.297 -4.725 0.214 317 HG11 VAL 43 HG11 VAL 43 -7.726 -4.696 -2.129 318 HG12 VAL 43 HG12 VAL 43 -9.271 -4.608 -1.303 319 HG13 VAL 43 HG13 VAL 43 -8.581 -3.140 -2.028 320 HG21 VAL 43 HG21 VAL 43 -5.789 -2.727 0.426 321 HG22 VAL 43 HG22 VAL 43 -5.644 -3.595 -1.111 322 HG23 VAL 43 HG23 VAL 43 -6.532 -2.062 -1.042 323 H GLU 44 H GLU 44 -7.360 -0.989 1.813 324 HA GLU 44 HA GLU 44 -8.613 1.001 -0.043 325 HB2 GLU 44 HB1 GLU 44 -8.373 1.155 2.988 326 HB3 GLU 44 HB2 GLU 44 -8.713 2.549 1.933 327 HG2 GLU 44 HG1 GLU 44 -10.844 1.585 1.281 328 HG3 GLU 44 HG2 GLU 44 -10.502 0.113 2.218 329 H LEU 45 H LEU 45 -6.966 2.446 -0.862 330 HA LEU 45 HA LEU 45 -4.355 2.429 0.428 331 HB2 LEU 45 HB1 LEU 45 -4.781 2.499 -2.073 332 HB3 LEU 45 HB2 LEU 45 -5.336 4.162 -1.879 333 HG LEU 45 HG LEU 45 -2.661 3.341 -0.692 334 HD11 LEU 45 HD11 LEU 45 -1.557 3.833 -2.800 335 HD12 LEU 45 HD12 LEU 45 -3.153 3.982 -3.614 336 HD13 LEU 45 HD13 LEU 45 -2.631 2.426 -2.950 337 HD21 LEU 45 HD21 LEU 45 -3.560 5.857 -2.160 338 HD22 LEU 45 HD22 LEU 45 -1.995 5.614 -1.344 339 HD23 LEU 45 HD23 LEU 45 -3.471 5.693 -0.381 340 H HIS 46 H HIS 46 -3.843 3.605 2.015 341 HA HIS 46 HA HIS 46 -5.259 6.128 2.645 342 HB2 HIS 46 HB1 HIS 46 -3.867 4.089 4.387 343 HB3 HIS 46 HB2 HIS 46 -4.249 5.711 4.979 344 HD2 HIS 46 HD2 HIS 46 -7.073 4.153 2.907 345 HE1 HIS 46 HE1 HIS 46 -8.171 3.723 6.966 346 HE2 HIS 46 HE2 HIS 46 -8.961 3.446 4.549 347 H GLU 47 H GLU 47 -4.005 7.857 3.504 348 HA GLU 47 HA GLU 47 -1.205 8.029 2.485 349 HB2 GLU 47 HB1 GLU 47 -1.684 10.549 2.743 350 HB3 GLU 47 HB2 GLU 47 -2.266 9.607 1.320 351 HG2 GLU 47 HG1 GLU 47 -3.867 11.229 1.862 352 HG3 GLU 47 HG2 GLU 47 -4.523 9.629 2.185 353 H THR 48 H THR 48 -0.492 10.260 3.988 354 HA THR 48 HA THR 48 -1.163 9.987 6.797 355 HB THR 48 HB THR 48 1.730 9.744 5.863 356 HG1 THR 48 HG1 THR 48 -0.060 7.968 6.274 357 HG21 THR 48 HG21 THR 48 0.549 10.084 8.656 358 HG22 THR 48 HG22 THR 48 1.683 11.177 7.840 359 HG23 THR 48 HG23 THR 48 2.220 9.563 8.335 360 H PHE 49 H PHE 49 -1.539 12.007 7.442 361 HA PHE 49 HA PHE 49 -0.409 14.277 5.859 362 HB2 PHE 49 HB1 PHE 49 -2.550 15.318 5.852 363 HB3 PHE 49 HB2 PHE 49 -2.753 13.679 5.239 364 HD1 PHE 49 HD1 PHE 49 -3.428 15.983 8.081 365 HD2 PHE 49 HD2 PHE 49 -4.160 12.063 6.468 366 HE1 PHE 49 HE1 PHE 49 -5.216 15.627 9.757 367 HE2 PHE 49 HE2 PHE 49 -5.981 11.730 8.099 368 HZ PHE 49 HZ PHE 49 -6.494 13.498 9.761 369 H MET 50 H MET 50 -0.406 16.331 6.896 370 HA MET 50 HA MET 50 -1.272 16.377 9.690 371 HB2 MET 50 HB1 MET 50 0.544 17.806 10.487 372 HB3 MET 50 HB2 MET 50 1.064 16.162 10.092 373 HG2 MET 50 HG1 MET 50 2.228 16.852 8.188 374 HG3 MET 50 HG2 MET 50 1.318 18.365 8.059 375 HE1 MET 50 HE1 MET 50 3.578 19.499 7.447 376 HE2 MET 50 HE2 MET 50 5.007 19.506 8.506 377 HE3 MET 50 HE3 MET 50 4.485 17.997 7.733 378 H ARG 51 H ARG 51 -2.634 17.793 10.036 379 HA ARG 51 HA ARG 51 -2.995 20.164 8.244 380 HB2 ARG 51 HB1 ARG 51 -4.644 18.073 8.356 381 HB3 ARG 51 HB2 ARG 51 -5.229 18.884 9.815 382 HG2 ARG 51 HG1 ARG 51 -5.368 21.003 8.220 383 HG3 ARG 51 HG2 ARG 51 -5.300 19.781 6.921 384 HD2 ARG 51 HD1 ARG 51 -7.613 20.052 7.276 385 HD3 ARG 51 HD2 ARG 51 -7.210 18.601 8.220 386 HE ARG 51 HE ARG 51 -6.897 20.804 9.956 387 HH11 ARG 51 HH12 ARG 51 -9.670 19.494 8.207 388 HH12 ARG 51 HH11 ARG 51 -10.795 20.184 9.343 389 HH21 ARG 51 HH22 ARG 51 -8.282 21.592 11.328 390 HH22 ARG 51 HH21 ARG 51 -10.016 21.400 11.133 391 H GLU 52 H GLU 52 -3.819 22.061 9.204 392 HA GLU 52 HA GLU 52 -3.254 22.668 11.901 393 HB2 GLU 52 HB1 GLU 52 -4.671 24.060 9.650 394 HB3 GLU 52 HB2 GLU 52 -4.638 24.749 11.305 395 HG2 GLU 52 HG1 GLU 52 -2.830 25.708 10.100 396 HG3 GLU 52 HG2 GLU 52 -2.173 24.592 11.308 397 H VAL 53 H VAL 53 -4.452 23.004 13.583 398 HA VAL 53 HA VAL 53 -7.358 22.280 13.662 399 HB VAL 53 HB VAL 53 -5.306 21.075 15.498 400 HG11 VAL 53 HG11 VAL 53 -7.525 21.493 16.638 401 HG12 VAL 53 HG12 VAL 53 -8.340 20.651 15.311 402 HG13 VAL 53 HG13 VAL 53 -7.236 19.772 16.390 403 HG21 VAL 53 HG21 VAL 53 -6.115 18.915 14.481 404 HG22 VAL 53 HG22 VAL 53 -6.992 19.862 13.270 405 HG23 VAL 53 HG23 VAL 53 -5.217 19.940 13.359 406 H GLU 54 H GLU 54 -5.602 22.824 16.570 407 HA GLU 54 HA GLU 54 -7.158 25.195 17.185 408 HB2 GLU 54 HB1 GLU 54 -4.719 24.427 18.758 409 HB3 GLU 54 HB2 GLU 54 -6.239 25.175 19.304 410 HG2 GLU 54 HG1 GLU 54 -6.548 23.116 20.194 411 HG3 GLU 54 HG2 GLU 54 -7.199 22.749 18.603 412 H GLY 55 H GLY 55 -5.627 25.704 14.799 413 HA2 GLY 55 HA3 GLY 55 -4.020 27.148 13.862 414 HA3 GLY 55 HA2 GLY 55 -3.614 27.750 15.485 415 H LYS 56 H LYS 56 -3.505 24.679 16.133 416 HA LYS 56 HA LYS 56 -0.637 24.338 15.884 417 HB2 LYS 56 HB1 LYS 56 -2.690 23.508 17.600 418 HB3 LYS 56 HB2 LYS 56 -2.167 22.037 16.747 419 HG2 LYS 56 HG1 LYS 56 0.171 22.510 17.428 420 HG3 LYS 56 HG2 LYS 56 -0.419 23.950 18.305 421 HD2 LYS 56 HD1 LYS 56 -0.053 22.096 19.850 422 HD3 LYS 56 HD2 LYS 56 -1.769 22.481 19.791 423 HE2 LYS 56 HE1 LYS 56 -0.697 20.313 17.971 424 HE3 LYS 56 HE2 LYS 56 -0.841 19.973 19.717 425 HZ1 LYS 56 HZ1 LYS 56 -2.860 19.325 18.516 426 HZ2 LYS 56 HZ2 LYS 56 -3.119 20.872 18.019 427 HZ3 LYS 56 HZ3 LYS 56 -3.214 20.554 19.547 428 H LYS 57 H LYS 57 0.379 22.556 14.806 429 HA LYS 57 HA LYS 57 -1.101 21.186 12.639 430 HB2 LYS 57 HB1 LYS 57 1.738 21.130 13.624 431 HB3 LYS 57 HB2 LYS 57 1.113 19.767 12.662 432 HG2 LYS 57 HG1 LYS 57 1.201 22.662 11.763 433 HG3 LYS 57 HG2 LYS 57 2.332 21.364 11.290 434 HD2 LYS 57 HD1 LYS 57 0.251 20.126 10.381 435 HD3 LYS 57 HD2 LYS 57 -0.597 21.686 10.565 436 HE2 LYS 57 HE1 LYS 57 1.341 22.707 9.228 437 HE3 LYS 57 HE2 LYS 57 1.812 21.061 8.818 438 HZ1 LYS 57 HZ1 LYS 57 -0.767 22.416 8.247 439 HZ2 LYS 57 HZ2 LYS 57 -0.472 20.823 7.837 440 HZ3 LYS 57 HZ3 LYS 57 0.364 22.074 7.145 441 H VAL 58 H VAL 58 -2.024 19.232 12.808 442 HA VAL 58 HA VAL 58 -1.227 17.356 14.990 443 HB VAL 58 HB VAL 58 -4.054 17.842 14.008 444 HG11 VAL 58 HG11 VAL 58 -2.997 15.756 15.967 445 HG12 VAL 58 HG12 VAL 58 -4.718 16.149 15.747 446 HG13 VAL 58 HG13 VAL 58 -3.807 15.454 14.410 447 HG21 VAL 58 HG21 VAL 58 -4.516 18.421 16.407 448 HG22 VAL 58 HG22 VAL 58 -2.785 18.244 16.761 449 HG23 VAL 58 HG23 VAL 58 -3.357 19.532 15.678 450 H MET 59 H MET 59 -1.226 15.171 14.326 451 HA MET 59 HA MET 59 -0.794 14.726 11.407 452 HB2 MET 59 HB1 MET 59 1.070 14.471 13.120 453 HB3 MET 59 HB2 MET 59 0.153 13.112 13.804 454 HG2 MET 59 HG1 MET 59 1.793 12.163 12.430 455 HG3 MET 59 HG2 MET 59 0.293 12.006 11.522 456 HE1 MET 59 HE1 MET 59 2.754 15.217 11.854 457 HE2 MET 59 HE2 MET 59 3.758 13.744 11.874 458 HE3 MET 59 HE3 MET 59 3.812 14.845 10.482 459 H GLY 60 H GLY 60 -1.726 12.918 10.387 460 HA2 GLY 60 HA3 GLY 60 -3.135 10.855 11.841 461 HA3 GLY 60 HA2 GLY 60 -4.238 11.948 10.975 462 H MET 61 H MET 61 -4.618 9.613 10.088 463 HA MET 61 HA MET 61 -3.378 9.528 7.392 464 HB2 MET 61 HB1 MET 61 -3.943 7.058 9.079 465 HB3 MET 61 HB2 MET 61 -3.298 7.122 7.417 466 HG2 MET 61 HG1 MET 61 -1.401 6.693 8.619 467 HG3 MET 61 HG2 MET 61 -1.328 8.445 8.494 468 HE1 MET 61 HE1 MET 61 0.434 6.738 10.422 469 HE2 MET 61 HE2 MET 61 0.490 8.512 10.347 470 HE3 MET 61 HE3 MET 61 0.359 7.697 11.921 471 H ARG 62 H ARG 62 -4.788 8.840 5.796 472 HA ARG 62 HA ARG 62 -7.653 8.293 6.428 473 HB2 ARG 62 HB1 ARG 62 -6.547 10.820 6.049 474 HB3 ARG 62 HB2 ARG 62 -7.066 10.395 4.410 475 HG2 ARG 62 HG1 ARG 62 -9.353 9.828 5.629 476 HG3 ARG 62 HG2 ARG 62 -8.693 10.895 6.894 477 HD2 ARG 62 HD1 ARG 62 -9.951 12.320 5.430 478 HD3 ARG 62 HD2 ARG 62 -8.245 12.598 5.021 479 HE ARG 62 HE ARG 62 -8.721 10.758 3.222 480 HH11 ARG 62 HH12 ARG 62 -10.897 13.423 3.951 481 HH12 ARG 62 HH11 ARG 62 -11.769 13.244 2.452 482 HH21 ARG 62 HH22 ARG 62 -9.837 10.476 1.463 483 HH22 ARG 62 HH21 ARG 62 -11.134 11.549 0.978 484 HA PRO 63 HA PRO 63 -7.218 6.245 2.367 485 HB2 PRO 63 HB1 PRO 63 -9.825 6.111 1.531 486 HB3 PRO 63 HB2 PRO 63 -9.067 4.934 2.616 487 HG2 PRO 63 HG1 PRO 63 -10.775 7.296 3.316 488 HG3 PRO 63 HG2 PRO 63 -10.811 5.665 4.044 489 HD2 PRO 63 HD1 PRO 63 -9.594 7.815 5.238 490 HD3 PRO 63 HD2 PRO 63 -8.936 6.167 5.400 491 H VAL 64 H VAL 64 -7.180 6.775 0.265 492 HA VAL 64 HA VAL 64 -8.222 9.429 -0.646 493 HB VAL 64 HB VAL 64 -6.023 9.406 -2.125 494 HG11 VAL 64 HG11 VAL 64 -4.911 10.858 -0.458 495 HG12 VAL 64 HG12 VAL 64 -6.624 11.232 -0.717 496 HG13 VAL 64 HG13 VAL 64 -6.130 10.357 0.745 497 HG21 VAL 64 HG21 VAL 64 -4.925 7.999 0.337 498 HG22 VAL 64 HG22 VAL 64 -5.168 7.249 -1.258 499 HG23 VAL 64 HG23 VAL 64 -4.026 8.593 -1.071 500 HA PRO 65 HA PRO 65 -9.523 7.093 -4.150 501 HB2 PRO 65 HB1 PRO 65 -9.683 8.915 -6.161 502 HB3 PRO 65 HB2 PRO 65 -10.730 8.988 -4.710 503 HG2 PRO 65 HG1 PRO 65 -8.150 10.504 -5.216 504 HG3 PRO 65 HG2 PRO 65 -9.732 11.168 -4.667 505 HD2 PRO 65 HD1 PRO 65 -7.732 10.547 -2.909 506 HD3 PRO 65 HD2 PRO 65 -9.451 10.267 -2.505 507 H PHE 66 H PHE 66 -6.276 8.534 -4.343 508 HA PHE 66 HA PHE 66 -5.290 6.407 -5.903 509 HB2 PHE 66 HB1 PHE 66 -4.677 7.519 -7.972 510 HB3 PHE 66 HB2 PHE 66 -6.421 7.466 -7.822 511 HD1 PHE 66 HD1 PHE 66 -3.426 9.623 -7.909 512 HD2 PHE 66 HD2 PHE 66 -7.715 9.538 -7.513 513 HE1 PHE 66 HE1 PHE 66 -3.507 12.062 -8.332 514 HE2 PHE 66 HE2 PHE 66 -7.798 11.990 -7.917 515 HZ PHE 66 HZ PHE 66 -5.686 13.256 -8.320 516 H LEU 67 H LEU 67 -3.103 6.682 -6.565 517 HA LEU 67 HA LEU 67 -1.523 8.930 -5.482 518 HB2 LEU 67 HB1 LEU 67 -1.252 6.062 -4.854 519 HB3 LEU 67 HB2 LEU 67 0.207 6.674 -5.657 520 HG LEU 67 HG LEU 67 -1.007 7.635 -3.043 521 HD11 LEU 67 HD11 LEU 67 1.216 6.789 -2.207 522 HD12 LEU 67 HD12 LEU 67 1.639 6.309 -3.854 523 HD13 LEU 67 HD13 LEU 67 0.295 5.504 -3.010 524 HD21 LEU 67 HD21 LEU 67 -0.075 9.646 -4.099 525 HD22 LEU 67 HD22 LEU 67 1.376 8.752 -4.618 526 HD23 LEU 67 HD23 LEU 67 1.083 9.077 -2.900 527 H GLU 68 H GLU 68 0.683 8.978 -6.835 528 HA GLU 68 HA GLU 68 0.638 7.603 -9.310 529 HB2 GLU 68 HB1 GLU 68 0.169 9.210 -10.915 530 HB3 GLU 68 HB2 GLU 68 -1.181 9.266 -9.778 531 HG2 GLU 68 HG1 GLU 68 -0.055 11.306 -8.744 532 HG3 GLU 68 HG2 GLU 68 1.051 11.282 -10.136 533 H VAL 69 H VAL 69 2.291 8.263 -10.822 534 HA VAL 69 HA VAL 69 4.625 9.557 -9.541 535 HB VAL 69 HB VAL 69 4.755 6.716 -10.667 536 HG11 VAL 69 HG11 VAL 69 6.949 7.845 -10.597 537 HG12 VAL 69 HG12 VAL 69 6.698 8.252 -8.889 538 HG13 VAL 69 HG13 VAL 69 6.884 6.565 -9.394 539 HG21 VAL 69 HG21 VAL 69 3.359 6.493 -8.696 540 HG22 VAL 69 HG22 VAL 69 4.976 5.896 -8.346 541 HG23 VAL 69 HG23 VAL 69 4.494 7.486 -7.737 542 HA PRO 70 HA PRO 70 5.430 10.566 -13.877 543 HB2 PRO 70 HB1 PRO 70 8.041 11.390 -13.727 544 HB3 PRO 70 HB2 PRO 70 6.668 12.369 -13.129 545 HG2 PRO 70 HG1 PRO 70 8.467 10.518 -11.535 546 HG3 PRO 70 HG2 PRO 70 8.017 12.218 -11.154 547 HD2 PRO 70 HD1 PRO 70 6.711 10.109 -10.035 548 HD3 PRO 70 HD2 PRO 70 5.821 11.576 -10.525 549 HA PRO 71 HA PRO 71 7.484 7.021 -15.664 550 HB2 PRO 71 HB1 PRO 71 8.995 8.100 -17.718 551 HB3 PRO 71 HB2 PRO 71 7.246 7.725 -17.752 552 HG2 PRO 71 HG1 PRO 71 8.593 10.372 -17.330 553 HG3 PRO 71 HG2 PRO 71 7.069 10.003 -18.228 554 HD2 PRO 71 HD1 PRO 71 7.106 11.052 -15.695 555 HD3 PRO 71 HD2 PRO 71 5.814 9.977 -16.292 556 H LYS 72 H LYS 72 9.322 5.798 -15.614 557 HA LYS 72 HA LYS 72 11.285 5.021 -14.848 558 HB2 LYS 72 HB1 LYS 72 12.394 7.826 -15.073 559 HB3 LYS 72 HB2 LYS 72 13.297 6.300 -15.135 560 HG2 LYS 72 HG1 LYS 72 11.299 7.301 -17.198 561 HG3 LYS 72 HG2 LYS 72 13.068 7.317 -17.333 562 HD2 LYS 72 HD1 LYS 72 13.131 4.884 -17.432 563 HD3 LYS 72 HD2 LYS 72 11.391 4.783 -17.039 564 HE2 LYS 72 HE1 LYS 72 10.878 6.058 -19.102 565 HE3 LYS 72 HE2 LYS 72 12.571 6.001 -19.575 566 HZ1 LYS 72 HZ1 LYS 72 12.395 3.621 -19.741 567 HZ2 LYS 72 HZ2 LYS 72 11.137 4.283 -20.561 568 HZ3 LYS 72 HZ3 LYS 72 10.881 3.612 -19.080 569 H GLY 73 H GLY 73 9.560 7.056 -13.022 570 HA2 GLY 73 HA3 GLY 73 11.217 7.295 -10.656 571 HA3 GLY 73 HA2 GLY 73 9.494 7.705 -10.813 572 H ARG 74 H ARG 74 11.655 5.732 -9.483 573 HA ARG 74 HA ARG 74 9.593 3.789 -8.531 574 HB2 ARG 74 HB1 ARG 74 12.552 4.056 -7.932 575 HB3 ARG 74 HB2 ARG 74 11.449 3.251 -6.769 576 HG2 ARG 74 HG1 ARG 74 10.681 1.780 -8.664 577 HG3 ARG 74 HG2 ARG 74 12.017 2.419 -9.632 578 HD2 ARG 74 HD1 ARG 74 13.641 1.570 -7.984 579 HD3 ARG 74 HD2 ARG 74 12.332 1.040 -6.911 580 HE ARG 74 HE ARG 74 13.323 -0.307 -9.290 581 HH11 ARG 74 HH12 ARG 74 10.587 -0.283 -7.001 582 HH12 ARG 74 HH11 ARG 74 9.801 -1.572 -7.901 583 HH21 ARG 74 HH22 ARG 74 12.229 -2.112 -10.173 584 HH22 ARG 74 HH21 ARG 74 10.613 -2.439 -9.590 585 H VAL 75 H VAL 75 8.651 3.990 -6.572 586 HA VAL 75 HA VAL 75 9.473 6.119 -4.661 587 HB VAL 75 HB VAL 75 7.128 6.787 -4.251 588 HG11 VAL 75 HG11 VAL 75 7.931 7.254 -7.148 589 HG12 VAL 75 HG12 VAL 75 6.781 8.217 -6.204 590 HG13 VAL 75 HG13 VAL 75 8.492 8.186 -5.744 591 HG21 VAL 75 HG21 VAL 75 5.964 4.770 -5.062 592 HG22 VAL 75 HG22 VAL 75 5.348 6.208 -5.871 593 HG23 VAL 75 HG23 VAL 75 6.474 5.121 -6.727 594 H GLU 76 H GLU 76 7.907 5.766 -2.596 595 HA GLU 76 HA GLU 76 7.343 2.861 -2.208 596 HB2 GLU 76 HB1 GLU 76 8.584 4.819 -0.273 597 HB3 GLU 76 HB2 GLU 76 7.655 3.382 0.256 598 HG2 GLU 76 HG1 GLU 76 9.260 1.911 -0.857 599 HG3 GLU 76 HG2 GLU 76 10.220 3.323 -1.344 600 H LEU 77 H LEU 77 5.414 2.408 -1.513 601 HA LEU 77 HA LEU 77 3.694 4.383 -0.122 602 HB2 LEU 77 HB1 LEU 77 3.445 1.403 -0.658 603 HB3 LEU 77 HB2 LEU 77 2.391 2.318 0.457 604 HG LEU 77 HG LEU 77 1.887 3.806 -1.639 605 HD11 LEU 77 HD11 LEU 77 2.855 1.231 -2.983 606 HD12 LEU 77 HD12 LEU 77 3.527 2.857 -3.227 607 HD13 LEU 77 HD13 LEU 77 1.891 2.495 -3.768 608 HD21 LEU 77 HD21 LEU 77 0.883 0.966 -1.236 609 HD22 LEU 77 HD22 LEU 77 0.058 2.180 -2.242 610 HD23 LEU 77 HD23 LEU 77 0.236 2.450 -0.500 611 H LYS 78 H LYS 78 5.491 5.021 1.156 612 HA LYS 78 HA LYS 78 6.792 3.089 2.940 613 HB2 LYS 78 HB1 LYS 78 7.779 5.344 3.844 614 HB3 LYS 78 HB2 LYS 78 8.302 4.722 2.263 615 HG2 LYS 78 HG1 LYS 78 7.114 6.321 1.072 616 HG3 LYS 78 HG2 LYS 78 6.027 6.709 2.416 617 HD2 LYS 78 HD1 LYS 78 8.995 7.395 2.374 618 HD3 LYS 78 HD2 LYS 78 7.662 8.492 1.902 619 HE2 LYS 78 HE1 LYS 78 6.656 7.768 4.229 620 HE3 LYS 78 HE2 LYS 78 8.310 7.310 4.628 621 HZ1 LYS 78 HZ1 LYS 78 8.957 9.594 4.309 622 HZ2 LYS 78 HZ2 LYS 78 7.596 9.571 5.267 623 HZ3 LYS 78 HZ3 LYS 78 7.475 9.999 3.700 624 HA PRO 79 HA PRO 79 3.815 3.040 6.069 625 HB2 PRO 79 HB1 PRO 79 5.289 3.193 8.457 626 HB3 PRO 79 HB2 PRO 79 4.994 1.729 7.475 627 HG2 PRO 79 HG1 PRO 79 7.384 3.572 7.403 628 HG3 PRO 79 HG2 PRO 79 7.361 1.775 7.387 629 HD2 PRO 79 HD1 PRO 79 7.696 3.139 5.089 630 HD3 PRO 79 HD2 PRO 79 6.579 1.742 5.122 631 H GLY 80 H GLY 80 6.135 5.589 7.232 632 HA2 GLY 80 HA3 GLY 80 3.850 7.286 8.021 633 HA3 GLY 80 HA2 GLY 80 5.577 7.653 8.229 634 H GLY 81 H GLY 81 3.049 7.271 5.738 635 HA2 GLY 81 HA3 GLY 81 3.794 9.484 4.072 636 HA3 GLY 81 HA2 GLY 81 4.572 7.991 3.499 637 H TYR 82 H TYR 82 3.111 6.128 3.137 638 HA TYR 82 HA TYR 82 0.309 6.540 2.398 639 HB2 TYR 82 HB1 TYR 82 2.369 5.999 0.243 640 HB3 TYR 82 HB2 TYR 82 0.609 5.984 0.051 641 HD1 TYR 82 HD1 TYR 82 -0.675 8.170 0.276 642 HD2 TYR 82 HD2 TYR 82 3.627 7.981 -0.005 643 HE1 TYR 82 HE1 TYR 82 -0.609 10.593 -0.285 644 HE2 TYR 82 HE2 TYR 82 3.689 10.407 -0.579 645 HH TYR 82 HH TYR 82 0.722 12.380 -0.787 646 H HIS 83 H HIS 83 -0.740 4.514 2.249 647 HA HIS 83 HA HIS 83 0.804 2.024 2.212 648 HB2 HIS 83 HB1 HIS 83 0.459 1.370 4.485 649 HB3 HIS 83 HB2 HIS 83 1.339 2.895 4.489 650 HD1 HIS 83 HD1 HIS 83 -0.285 5.132 5.214 651 HD2 HIS 83 HD2 HIS 83 -1.682 1.231 5.942 652 HE1 HIS 83 HE1 HIS 83 -2.092 5.328 6.961 653 H PHE 84 H PHE 84 -0.762 0.152 3.086 654 HA PHE 84 HA PHE 84 -3.532 0.777 2.130 655 HB2 PHE 84 HB1 PHE 84 -2.039 -1.860 2.114 656 HB3 PHE 84 HB2 PHE 84 -3.763 -1.653 1.727 657 HD1 PHE 84 HD1 PHE 84 -4.296 0.144 -0.142 658 HD2 PHE 84 HD2 PHE 84 -0.503 -1.854 0.330 659 HE1 PHE 84 HE1 PHE 84 -3.778 0.559 -2.519 660 HE2 PHE 84 HE2 PHE 84 0.026 -1.386 -2.050 661 HZ PHE 84 HZ PHE 84 -1.583 -0.108 -3.455 662 H MET 85 H MET 85 -5.176 0.426 3.422 663 HA MET 85 HA MET 85 -4.826 -1.082 5.987 664 HB2 MET 85 HB1 MET 85 -6.819 0.928 4.998 665 HB3 MET 85 HB2 MET 85 -7.424 -0.387 6.037 666 HG2 MET 85 HG1 MET 85 -5.088 1.399 6.773 667 HG3 MET 85 HG2 MET 85 -6.778 1.681 7.269 668 HE1 MET 85 HE1 MET 85 -3.655 0.847 8.747 669 HE2 MET 85 HE2 MET 85 -3.714 -0.841 9.335 670 HE3 MET 85 HE3 MET 85 -3.597 -0.499 7.596 671 H LEU 86 H LEU 86 -5.643 -3.054 6.200 672 HA LEU 86 HA LEU 86 -7.160 -4.297 3.934 673 HB2 LEU 86 HB1 LEU 86 -4.917 -5.420 5.657 674 HB3 LEU 86 HB2 LEU 86 -6.008 -6.438 4.684 675 HG LEU 86 HG LEU 86 -3.966 -6.316 3.555 676 HD11 LEU 86 HD11 LEU 86 -6.000 -6.117 2.128 677 HD12 LEU 86 HD12 LEU 86 -4.557 -5.399 1.388 678 HD13 LEU 86 HD13 LEU 86 -5.791 -4.356 2.123 679 HD21 LEU 86 HD21 LEU 86 -2.762 -4.363 2.890 680 HD22 LEU 86 HD22 LEU 86 -3.061 -4.246 4.634 681 HD23 LEU 86 HD23 LEU 86 -4.025 -3.285 3.489 682 H LEU 87 H LEU 87 -8.889 -5.546 4.522 683 HA LEU 87 HA LEU 87 -9.458 -5.955 7.412 684 HB2 LEU 87 HB1 LEU 87 -10.771 -4.076 5.574 685 HB3 LEU 87 HB2 LEU 87 -11.936 -5.195 6.301 686 HG LEU 87 HG LEU 87 -9.939 -3.554 7.920 687 HD11 LEU 87 HD11 LEU 87 -11.840 -2.046 8.409 688 HD12 LEU 87 HD12 LEU 87 -12.866 -2.958 7.279 689 HD13 LEU 87 HD13 LEU 87 -11.458 -2.053 6.681 690 HD21 LEU 87 HD21 LEU 87 -12.469 -5.106 8.680 691 HD22 LEU 87 HD22 LEU 87 -11.558 -4.058 9.780 692 HD23 LEU 87 HD23 LEU 87 -10.804 -5.517 9.138 693 H GLY 88 H GLY 88 -10.914 -7.596 7.924 694 HA2 GLY 88 HA3 GLY 88 -12.198 -9.517 7.634 695 HA3 GLY 88 HA2 GLY 88 -12.333 -9.137 5.902 696 H LEU 89 H LEU 89 -9.680 -10.093 8.205 697 HA LEU 89 HA LEU 89 -8.304 -11.515 6.080 698 HB2 LEU 89 HB1 LEU 89 -7.733 -11.618 9.038 699 HB3 LEU 89 HB2 LEU 89 -6.665 -12.108 7.699 700 HG LEU 89 HG LEU 89 -7.480 -9.329 8.550 701 HD11 LEU 89 HD11 LEU 89 -4.723 -10.472 8.028 702 HD12 LEU 89 HD12 LEU 89 -5.536 -10.593 9.597 703 HD13 LEU 89 HD13 LEU 89 -5.187 -8.992 8.916 704 HD21 LEU 89 HD21 LEU 89 -6.063 -10.074 5.955 705 HD22 LEU 89 HD22 LEU 89 -6.137 -8.433 6.643 706 HD23 LEU 89 HD23 LEU 89 -7.621 -9.223 6.112 707 H LYS 90 H LYS 90 -9.109 -13.212 5.256 708 HA LYS 90 HA LYS 90 -10.928 -15.025 6.506 709 HB2 LYS 90 HB1 LYS 90 -10.854 -16.178 4.361 710 HB3 LYS 90 HB2 LYS 90 -11.178 -14.423 4.302 711 HG2 LYS 90 HG1 LYS 90 -8.597 -14.253 3.809 712 HG3 LYS 90 HG2 LYS 90 -8.755 -15.973 3.376 713 HD2 LYS 90 HD1 LYS 90 -9.227 -14.999 1.316 714 HD3 LYS 90 HD2 LYS 90 -10.861 -15.065 2.012 715 HE2 LYS 90 HE1 LYS 90 -10.855 -12.745 2.517 716 HE3 LYS 90 HE2 LYS 90 -9.065 -12.669 2.495 717 HZ1 LYS 90 HZ1 LYS 90 -9.158 -13.001 0.128 718 HZ2 LYS 90 HZ2 LYS 90 -9.864 -11.607 0.566 719 HZ3 LYS 90 HZ3 LYS 90 -10.820 -12.890 0.134 720 H ARG 91 H ARG 91 -7.599 -14.978 6.803 721 HA ARG 91 HA ARG 91 -7.799 -17.247 8.602 722 HB2 ARG 91 HB1 ARG 91 -5.488 -16.951 6.629 723 HB3 ARG 91 HB2 ARG 91 -5.499 -18.039 8.036 724 HG2 ARG 91 HG1 ARG 91 -7.460 -19.240 6.998 725 HG3 ARG 91 HG2 ARG 91 -7.232 -18.238 5.542 726 HD2 ARG 91 HD1 ARG 91 -4.854 -18.997 5.444 727 HD3 ARG 91 HD2 ARG 91 -5.153 -20.083 6.802 728 HE ARG 91 HE ARG 91 -5.711 -20.534 4.041 729 HH11 ARG 91 HH12 ARG 91 -7.265 -21.253 7.134 730 HH12 ARG 91 HH11 ARG 91 -8.018 -22.700 6.527 731 HH21 ARG 91 HH22 ARG 91 -6.700 -22.380 3.326 732 HH22 ARG 91 HH21 ARG 91 -7.719 -23.309 4.385 733 HA PRO 92 HA PRO 92 -4.944 -14.223 10.692 734 HB2 PRO 92 HB1 PRO 92 -3.705 -15.820 12.502 735 HB3 PRO 92 HB2 PRO 92 -5.405 -15.299 12.722 736 HG2 PRO 92 HG1 PRO 92 -4.406 -17.914 11.556 737 HG3 PRO 92 HG2 PRO 92 -5.644 -17.677 12.842 738 HD2 PRO 92 HD1 PRO 92 -6.311 -18.050 10.203 739 HD3 PRO 92 HD2 PRO 92 -7.255 -16.970 11.273 740 H LEU 93 H LEU 93 -2.629 -13.940 10.664 741 HA LEU 93 HA LEU 93 -1.229 -15.502 8.508 742 HB2 LEU 93 HB1 LEU 93 -1.343 -12.606 9.348 743 HB3 LEU 93 HB2 LEU 93 0.151 -13.231 8.595 744 HG LEU 93 HG LEU 93 -1.082 -13.886 6.598 745 HD11 LEU 93 HD11 LEU 93 -3.334 -14.326 7.368 746 HD12 LEU 93 HD12 LEU 93 -3.420 -12.965 6.253 747 HD13 LEU 93 HD13 LEU 93 -3.507 -12.672 8.002 748 HD21 LEU 93 HD21 LEU 93 -1.454 -11.622 5.744 749 HD22 LEU 93 HD22 LEU 93 -0.045 -11.625 6.813 750 HD23 LEU 93 HD23 LEU 93 -1.604 -10.985 7.393 751 H LYS 94 H LYS 94 1.116 -15.641 8.649 752 HA LYS 94 HA LYS 94 2.273 -15.394 11.390 753 HB2 LYS 94 HB1 LYS 94 1.668 -17.672 11.140 754 HB3 LYS 94 HB2 LYS 94 2.300 -17.769 9.502 755 HG2 LYS 94 HG1 LYS 94 4.263 -17.054 11.619 756 HG3 LYS 94 HG2 LYS 94 3.567 -18.686 11.734 757 HD2 LYS 94 HD1 LYS 94 4.838 -17.631 9.189 758 HD3 LYS 94 HD2 LYS 94 5.758 -18.458 10.489 759 HE2 LYS 94 HE1 LYS 94 5.326 -20.353 9.409 760 HE3 LYS 94 HE2 LYS 94 3.682 -20.220 10.040 761 HZ1 LYS 94 HZ1 LYS 94 3.817 -20.558 7.589 762 HZ2 LYS 94 HZ2 LYS 94 4.563 -19.102 7.435 763 HZ3 LYS 94 HZ3 LYS 94 3.015 -19.197 7.960 764 H ALA 95 H ALA 95 4.265 -14.481 11.497 765 HA ALA 95 HA ALA 95 5.477 -13.206 9.211 766 HB1 ALA 95 HB1 ALA 95 5.719 -12.358 11.543 767 HB2 ALA 95 HB2 ALA 95 6.634 -13.830 11.965 768 HB3 ALA 95 HB3 ALA 95 7.292 -12.673 10.794 769 H GLY 96 H GLY 96 6.889 -13.946 7.749 770 HA2 GLY 96 HA3 GLY 96 8.301 -15.554 6.682 771 HA3 GLY 96 HA2 GLY 96 8.017 -16.685 8.024 772 H GLU 97 H GLU 97 5.815 -14.861 5.839 773 HA GLU 97 HA GLU 97 5.126 -17.244 4.279 774 HB2 GLU 97 HB1 GLU 97 3.103 -15.321 5.536 775 HB3 GLU 97 HB2 GLU 97 2.739 -16.498 4.255 776 HG2 GLU 97 HG1 GLU 97 3.379 -18.332 5.686 777 HG3 GLU 97 HG2 GLU 97 3.845 -17.207 6.977 778 H GLU 98 H GLU 98 4.365 -16.648 2.250 779 HA GLU 98 HA GLU 98 5.132 -14.002 1.216 780 HB2 GLU 98 HB1 GLU 98 4.369 -16.578 -0.200 781 HB3 GLU 98 HB2 GLU 98 4.997 -15.080 -0.957 782 HG2 GLU 98 HG1 GLU 98 6.923 -16.257 -0.890 783 HG3 GLU 98 HG2 GLU 98 7.038 -15.506 0.698 784 H VAL 99 H VAL 99 3.653 -12.477 0.902 785 HA VAL 99 HA VAL 99 0.781 -13.131 0.338 786 HB VAL 99 HB VAL 99 2.221 -10.573 1.143 787 HG11 VAL 99 HG11 VAL 99 -0.529 -10.876 -0.089 788 HG12 VAL 99 HG12 VAL 99 -0.144 -9.501 0.935 789 HG13 VAL 99 HG13 VAL 99 0.736 -9.718 -0.580 790 HG21 VAL 99 HG21 VAL 99 0.639 -10.654 2.999 791 HG22 VAL 99 HG22 VAL 99 -0.232 -12.010 2.259 792 HG23 VAL 99 HG23 VAL 99 1.416 -12.237 2.864 793 H GLU 100 H GLU 100 0.080 -13.158 -1.689 794 HA GLU 100 HA GLU 100 1.527 -11.794 -3.886 795 HB2 GLU 100 HB1 GLU 100 -1.206 -13.105 -3.811 796 HB3 GLU 100 HB2 GLU 100 -0.449 -12.308 -5.228 797 HG2 GLU 100 HG1 GLU 100 1.474 -14.039 -4.809 798 HG3 GLU 100 HG2 GLU 100 0.235 -14.946 -3.932 799 H LEU 101 H LEU 101 1.018 -9.817 -4.699 800 HA LEU 101 HA LEU 101 -1.476 -8.467 -3.914 801 HB2 LEU 101 HB1 LEU 101 1.164 -7.891 -2.790 802 HB3 LEU 101 HB2 LEU 101 0.463 -6.465 -3.585 803 HG LEU 101 HG LEU 101 -1.060 -8.076 -1.558 804 HD11 LEU 101 HD11 LEU 101 0.962 -7.233 -0.534 805 HD12 LEU 101 HD12 LEU 101 -0.459 -6.325 0.030 806 HD13 LEU 101 HD13 LEU 101 0.637 -5.602 -1.199 807 HD21 LEU 101 HD21 LEU 101 -2.309 -6.454 -3.141 808 HD22 LEU 101 HD22 LEU 101 -1.329 -5.155 -2.465 809 HD23 LEU 101 HD23 LEU 101 -2.457 -6.047 -1.421 810 H ASP 102 H ASP 102 -2.357 -7.519 -5.468 811 HA ASP 102 HA ASP 102 -0.988 -6.899 -8.053 812 HB2 ASP 102 HB1 ASP 102 -3.830 -7.215 -7.069 813 HB3 ASP 102 HB2 ASP 102 -3.486 -6.482 -8.636 814 H LEU 103 H LEU 103 0.008 -4.843 -7.799 815 HA LEU 103 HA LEU 103 -1.381 -2.522 -6.705 816 HB2 LEU 103 HB1 LEU 103 0.963 -2.903 -8.608 817 HB3 LEU 103 HB2 LEU 103 0.430 -1.316 -8.025 818 HG LEU 103 HG LEU 103 1.517 -3.575 -6.287 819 HD11 LEU 103 HD11 LEU 103 2.759 -0.971 -7.279 820 HD12 LEU 103 HD12 LEU 103 3.221 -2.613 -7.762 821 HD13 LEU 103 HD13 LEU 103 3.505 -2.069 -6.104 822 HD21 LEU 103 HD21 LEU 103 -0.015 -2.237 -4.964 823 HD22 LEU 103 HD22 LEU 103 0.657 -0.720 -5.615 824 HD23 LEU 103 HD23 LEU 103 1.616 -1.738 -4.539 825 H LEU 104 H LEU 104 -3.189 -1.685 -7.559 826 HA LEU 104 HA LEU 104 -3.955 -2.231 -10.356 827 HB2 LEU 104 HB1 LEU 104 -5.458 -0.663 -8.233 828 HB3 LEU 104 HB2 LEU 104 -6.113 -1.299 -9.752 829 HG LEU 104 HG LEU 104 -5.212 -2.868 -7.336 830 HD11 LEU 104 HD11 LEU 104 -7.991 -2.439 -8.483 831 HD12 LEU 104 HD12 LEU 104 -7.332 -1.687 -7.012 832 HD13 LEU 104 HD13 LEU 104 -7.582 -3.440 -7.069 833 HD21 LEU 104 HD21 LEU 104 -6.224 -4.859 -8.558 834 HD22 LEU 104 HD22 LEU 104 -4.750 -4.232 -9.300 835 HD23 LEU 104 HD23 LEU 104 -6.335 -3.843 -10.007 836 H PHE 105 H PHE 105 -3.779 -0.821 -11.990 837 HA PHE 105 HA PHE 105 -3.408 2.112 -11.376 838 HB2 PHE 105 HB1 PHE 105 -2.032 0.381 -13.425 839 HB3 PHE 105 HB2 PHE 105 -1.877 2.126 -13.334 840 HD1 PHE 105 HD1 PHE 105 -0.876 -1.130 -11.874 841 HD2 PHE 105 HD2 PHE 105 -0.481 3.150 -11.631 842 HE1 PHE 105 HE1 PHE 105 1.190 -1.386 -10.544 843 HE2 PHE 105 HE2 PHE 105 1.629 2.900 -10.403 844 HZ PHE 105 HZ PHE 105 2.466 0.616 -9.809 845 H ALA 106 H ALA 106 -4.916 3.175 -12.161 846 HA ALA 106 HA ALA 106 -6.748 3.954 -13.362 847 HB1 ALA 106 HB1 ALA 106 -5.871 4.792 -15.480 848 HB2 ALA 106 HB2 ALA 106 -4.601 4.838 -14.243 849 HB3 ALA 106 HB3 ALA 106 -4.599 3.556 -15.481 850 H GLY 107 H GLY 107 -6.923 0.885 -13.359 851 HA2 GLY 107 HA3 GLY 107 -8.471 -0.617 -14.194 852 HA3 GLY 107 HA2 GLY 107 -9.036 0.610 -15.351 853 H GLY 108 H GLY 108 -6.665 1.142 -16.720 854 HA2 GLY 108 HA3 GLY 108 -6.497 -1.075 -18.554 855 HA3 GLY 108 HA2 GLY 108 -5.599 0.457 -18.645 856 H LYS 109 H LYS 109 -4.742 -0.670 -15.632 857 HA LYS 109 HA LYS 109 -2.795 -2.690 -16.478 858 HB2 LYS 109 HB1 LYS 109 -2.388 0.119 -15.484 859 HB3 LYS 109 HB2 LYS 109 -1.267 -1.101 -14.917 860 HG2 LYS 109 HG1 LYS 109 -1.770 -0.291 -17.784 861 HG3 LYS 109 HG2 LYS 109 -0.388 0.182 -16.757 862 HD2 LYS 109 HD1 LYS 109 0.664 -1.847 -16.995 863 HD3 LYS 109 HD2 LYS 109 -0.816 -2.761 -17.284 864 HE2 LYS 109 HE1 LYS 109 0.192 -0.650 -19.227 865 HE3 LYS 109 HE2 LYS 109 0.737 -2.333 -19.298 866 HZ1 LYS 109 HZ1 LYS 109 -2.125 -1.491 -19.400 867 HZ2 LYS 109 HZ2 LYS 109 -1.560 -2.988 -19.670 868 HZ3 LYS 109 HZ3 LYS 109 -1.228 -1.792 -20.748 869 H VAL 110 H VAL 110 -1.823 -3.812 -14.872 870 HA VAL 110 HA VAL 110 -2.197 -3.295 -12.103 871 HB VAL 110 HB VAL 110 -4.197 -4.537 -12.512 872 HG11 VAL 110 HG11 VAL 110 -3.656 -5.741 -14.568 873 HG12 VAL 110 HG12 VAL 110 -2.545 -6.806 -13.673 874 HG13 VAL 110 HG13 VAL 110 -4.287 -6.836 -13.334 875 HG21 VAL 110 HG21 VAL 110 -3.962 -6.326 -10.894 876 HG22 VAL 110 HG22 VAL 110 -2.209 -6.417 -11.169 877 HG23 VAL 110 HG23 VAL 110 -2.909 -4.979 -10.405 878 H LEU 111 H LEU 111 -0.410 -4.119 -10.957 879 HA LEU 111 HA LEU 111 1.549 -5.855 -12.434 880 HB2 LEU 111 HB1 LEU 111 2.138 -3.495 -10.614 881 HB3 LEU 111 HB2 LEU 111 3.352 -4.592 -11.294 882 HG LEU 111 HG LEU 111 1.606 -2.633 -12.850 883 HD11 LEU 111 HD11 LEU 111 3.397 -1.575 -11.467 884 HD12 LEU 111 HD12 LEU 111 3.694 -1.393 -13.203 885 HD13 LEU 111 HD13 LEU 111 4.603 -2.599 -12.267 886 HD21 LEU 111 HD21 LEU 111 3.856 -4.449 -13.836 887 HD22 LEU 111 HD22 LEU 111 3.056 -3.183 -14.790 888 HD23 LEU 111 HD23 LEU 111 2.141 -4.596 -14.261 889 H LYS 112 H LYS 112 1.505 -7.804 -11.406 890 HA LYS 112 HA LYS 112 0.852 -7.858 -8.549 891 HB2 LYS 112 HB1 LYS 112 -0.099 -9.453 -10.345 892 HB3 LYS 112 HB2 LYS 112 1.429 -10.328 -10.183 893 HG2 LYS 112 HG1 LYS 112 1.049 -10.576 -7.756 894 HG3 LYS 112 HG2 LYS 112 -0.428 -9.580 -7.867 895 HD2 LYS 112 HD1 LYS 112 -1.197 -11.785 -7.712 896 HD3 LYS 112 HD2 LYS 112 -1.382 -11.357 -9.414 897 HE2 LYS 112 HE1 LYS 112 0.635 -12.623 -9.988 898 HE3 LYS 112 HE2 LYS 112 1.021 -12.824 -8.244 899 HZ1 LYS 112 HZ1 LYS 112 -1.084 -14.220 -9.761 900 HZ2 LYS 112 HZ2 LYS 112 -1.136 -14.031 -8.098 901 HZ3 LYS 112 HZ3 LYS 112 0.080 -14.791 -8.688 902 H VAL 113 H VAL 113 2.244 -7.972 -6.963 903 HA VAL 113 HA VAL 113 5.019 -9.043 -7.401 904 HB VAL 113 HB VAL 113 5.757 -7.683 -5.503 905 HG11 VAL 113 HG11 VAL 113 6.072 -6.881 -7.816 906 HG12 VAL 113 HG12 VAL 113 4.533 -5.997 -7.727 907 HG13 VAL 113 HG13 VAL 113 5.885 -5.542 -6.671 908 HG21 VAL 113 HG21 VAL 113 3.585 -7.342 -4.326 909 HG22 VAL 113 HG22 VAL 113 4.451 -5.830 -4.613 910 HG23 VAL 113 HG23 VAL 113 3.063 -6.254 -5.633 911 H VAL 114 H VAL 114 5.981 -10.125 -5.511 912 HA VAL 114 HA VAL 114 4.083 -11.277 -3.607 913 HB VAL 114 HB VAL 114 5.813 -12.916 -3.117 914 HG11 VAL 114 HG11 VAL 114 5.138 -14.431 -4.959 915 HG12 VAL 114 HG12 VAL 114 3.760 -13.489 -4.367 916 HG13 VAL 114 HG13 VAL 114 4.552 -13.038 -5.894 917 HG21 VAL 114 HG21 VAL 114 7.686 -11.842 -4.152 918 HG22 VAL 114 HG22 VAL 114 7.446 -13.455 -4.859 919 HG23 VAL 114 HG23 VAL 114 6.923 -11.999 -5.753 920 H LEU 115 H LEU 115 4.555 -10.968 -1.428 921 HA LEU 115 HA LEU 115 7.035 -9.498 -0.689 922 HB2 LEU 115 HB1 LEU 115 4.187 -8.718 0.025 923 HB3 LEU 115 HB2 LEU 115 5.626 -8.054 0.830 924 HG LEU 115 HG LEU 115 4.860 -7.670 -2.093 925 HD11 LEU 115 HD11 LEU 115 4.836 -5.807 0.330 926 HD12 LEU 115 HD12 LEU 115 3.411 -6.493 -0.487 927 HD13 LEU 115 HD13 LEU 115 4.463 -5.359 -1.340 928 HD21 LEU 115 HD21 LEU 115 7.326 -7.584 -1.899 929 HD22 LEU 115 HD22 LEU 115 7.198 -6.547 -0.485 930 HD23 LEU 115 HD23 LEU 115 6.694 -5.948 -2.078 931 HA PRO 116 HA PRO 116 6.817 -12.316 2.772 932 HB2 PRO 116 HB1 PRO 116 8.601 -11.180 4.504 933 HB3 PRO 116 HB2 PRO 116 9.092 -12.002 2.992 934 HG2 PRO 116 HG1 PRO 116 8.669 -9.029 3.435 935 HG3 PRO 116 HG2 PRO 116 10.084 -9.843 2.673 936 HD2 PRO 116 HD1 PRO 116 8.071 -8.788 1.174 937 HD3 PRO 116 HD2 PRO 116 8.846 -10.330 0.706 938 H VAL 117 H VAL 117 5.527 -12.554 4.505 939 HA VAL 117 HA VAL 117 4.246 -10.323 5.859 940 HB VAL 117 HB VAL 117 4.305 -13.317 6.414 941 HG11 VAL 117 HG11 VAL 117 3.771 -12.061 8.474 942 HG12 VAL 117 HG12 VAL 117 2.562 -11.106 7.593 943 HG13 VAL 117 HG13 VAL 117 2.325 -12.854 7.848 944 HG21 VAL 117 HG21 VAL 117 3.150 -12.739 4.294 945 HG22 VAL 117 HG22 VAL 117 1.959 -13.214 5.508 946 HG23 VAL 117 HG23 VAL 117 2.196 -11.498 5.134 947 H GLU 118 H GLU 118 4.869 -9.375 7.662 948 HA GLU 118 HA GLU 118 6.747 -10.502 9.608 949 HB2 GLU 118 HB1 GLU 118 8.408 -9.450 8.388 950 HB3 GLU 118 HB2 GLU 118 7.331 -8.136 7.841 951 HG2 GLU 118 HG1 GLU 118 9.007 -7.246 9.264 952 HG3 GLU 118 HG2 GLU 118 7.434 -7.109 10.052 953 H ALA 119 H ALA 119 6.362 -9.598 11.632 954 HA ALA 119 HA ALA 119 3.563 -8.693 11.906 955 HB1 ALA 119 HB1 ALA 119 3.904 -9.451 14.267 956 HB2 ALA 119 HB2 ALA 119 4.329 -10.715 13.094 957 HB3 ALA 119 HB3 ALA 119 5.608 -9.775 13.899 958 H ARG 120 H ARG 120 4.702 -6.601 10.911 959 HA ARG 120 HA ARG 120 6.527 -5.430 12.614 960 HB2 ARG 120 HB1 ARG 120 6.085 -5.242 9.954 961 HB3 ARG 120 HB2 ARG 120 5.711 -3.595 10.495 962 HG2 ARG 120 HG1 ARG 120 8.269 -4.958 10.134 963 HG3 ARG 120 HG2 ARG 120 7.893 -3.221 10.190 964 HD2 ARG 120 HD1 ARG 120 9.502 -3.520 11.830 965 HD3 ARG 120 HD2 ARG 120 8.014 -3.441 12.746 966 HE ARG 120 HE ARG 120 9.423 -6.032 12.020 967 HH11 ARG 120 HH12 ARG 120 7.341 -4.413 14.370 968 HH12 ARG 120 HH11 ARG 120 7.398 -5.785 15.375 969 HH21 ARG 120 HH22 ARG 120 9.254 -7.660 13.231 970 HH22 ARG 120 HH21 ARG 120 8.424 -7.620 14.771 Start of MODEL 30 1 H1 GLY 1 1H GLY 1 13.769 5.298 -3.462 2 H2 GLY 1 2H GLY 1 13.598 6.478 -4.600 3 H3 GLY 1 3H GLY 1 14.775 6.585 -3.442 4 HA2 GLY 1 HA3 GLY 1 14.700 4.491 -5.510 5 HA3 GLY 1 HA2 GLY 1 15.727 5.941 -5.580 6 H SER 2 H SER 2 16.107 2.767 -4.971 7 HA SER 2 HA SER 2 18.028 2.658 -2.869 8 HB2 SER 2 HB1 SER 2 16.290 3.498 -1.437 9 HB3 SER 2 HB2 SER 2 15.080 2.417 -2.168 10 HG SER 2 HG SER 2 15.536 1.299 -0.484 11 H PHE 3 H PHE 3 17.797 0.187 -1.980 12 HA PHE 3 HA PHE 3 17.188 -1.614 -4.283 13 HB2 PHE 3 HB1 PHE 3 18.584 -3.246 -3.136 14 HB3 PHE 3 HB2 PHE 3 19.469 -1.762 -3.506 15 HD1 PHE 3 HD2 PHE 3 18.109 -3.917 -0.825 16 HD2 PHE 3 HD1 PHE 3 20.271 -0.289 -1.703 17 HE1 PHE 3 HE2 PHE 3 18.859 -3.786 1.537 18 HE2 PHE 3 HE1 PHE 3 20.991 -0.147 0.664 19 HZ PHE 3 HZ PHE 3 20.298 -1.900 2.287 20 H THR 4 H THR 4 15.388 -0.350 -1.998 21 HA THR 4 HA THR 4 14.338 -2.577 -0.527 22 HB THR 4 HB THR 4 12.363 -0.704 -0.271 23 HG1 THR 4 HG1 THR 4 13.088 1.004 -1.398 24 HG21 THR 4 HG21 THR 4 13.721 -1.611 1.562 25 HG22 THR 4 HG22 THR 4 13.666 0.156 1.659 26 HG23 THR 4 HG23 THR 4 15.124 -0.650 1.033 27 H GLU 5 H GLU 5 12.395 -3.488 -0.505 28 HA GLU 5 HA GLU 5 10.631 -3.468 -2.865 29 HB2 GLU 5 HB1 GLU 5 12.253 -5.443 -2.796 30 HB3 GLU 5 HB2 GLU 5 11.412 -5.977 -1.343 31 HG2 GLU 5 HG1 GLU 5 9.482 -5.393 -3.451 32 HG3 GLU 5 HG2 GLU 5 10.760 -6.454 -4.097 33 H GLY 6 H GLY 6 8.774 -5.426 -1.452 34 HA2 GLY 6 HA3 GLY 6 7.804 -3.545 0.641 35 HA3 GLY 6 HA2 GLY 6 6.768 -4.501 -0.443 36 H TRP 7 H TRP 7 5.822 -4.843 1.713 37 HA TRP 7 HA TRP 7 6.173 -7.548 2.416 38 HB2 TRP 7 HB1 TRP 7 6.844 -7.510 4.659 39 HB3 TRP 7 HB2 TRP 7 8.068 -6.616 3.780 40 HD1 TRP 7 HD TRP 7 5.478 -6.253 6.532 41 HE1 TRP 7 HE1 TRP 7 5.899 -4.079 7.844 42 HE3 TRP 7 3HE TRP 7 8.829 -4.063 3.349 43 HZ2 TRP 7 HZ2 TRP 7 7.292 -1.604 7.402 44 HZ3 TRP 7 HZ3 TRP 7 9.653 -1.766 3.787 45 HH2 TRP 7 HH TRP 7 8.882 -0.511 5.796 46 H VAL 8 H VAL 8 4.542 -8.337 3.915 47 HA VAL 8 HA VAL 8 2.251 -6.425 4.310 48 HB VAL 8 HB VAL 8 2.068 -9.412 3.813 49 HG11 VAL 8 HG11 VAL 8 -0.040 -7.255 4.285 50 HG12 VAL 8 HG12 VAL 8 -0.410 -8.902 3.737 51 HG13 VAL 8 HG13 VAL 8 0.288 -8.638 5.339 52 HG21 VAL 8 HG21 VAL 8 2.599 -8.191 1.759 53 HG22 VAL 8 HG22 VAL 8 0.889 -8.620 1.712 54 HG23 VAL 8 HG23 VAL 8 1.368 -6.966 2.110 55 H ARG 9 H ARG 9 1.480 -6.137 6.246 56 HA ARG 9 HA ARG 9 3.073 -7.036 8.494 57 HB2 ARG 9 HB1 ARG 9 2.111 -4.701 8.121 58 HB3 ARG 9 HB2 ARG 9 0.532 -5.367 8.580 59 HG2 ARG 9 HG1 ARG 9 1.592 -6.170 10.736 60 HG3 ARG 9 HG2 ARG 9 3.071 -5.302 10.251 61 HD2 ARG 9 HD1 ARG 9 1.356 -3.272 9.979 62 HD3 ARG 9 HD2 ARG 9 0.375 -4.202 11.106 63 HE ARG 9 HE ARG 9 3.079 -3.031 11.541 64 HH11 ARG 9 HH12 ARG 9 0.515 -4.870 13.176 65 HH12 ARG 9 HH11 ARG 9 1.331 -4.706 14.706 66 HH21 ARG 9 HH22 ARG 9 4.056 -3.008 13.287 67 HH22 ARG 9 HH21 ARG 9 3.403 -3.608 14.807 68 H PHE 10 H PHE 10 2.726 -8.821 9.552 69 HA PHE 10 HA PHE 10 0.303 -10.331 9.792 70 HB2 PHE 10 HB1 PHE 10 2.405 -11.382 10.210 71 HB3 PHE 10 HB2 PHE 10 2.890 -10.110 11.355 72 HD1 PHE 10 HD2 PHE 10 -0.497 -11.756 11.457 73 HD2 PHE 10 HD1 PHE 10 3.506 -11.717 13.057 74 HE1 PHE 10 HE2 PHE 10 -1.289 -12.982 13.438 75 HE2 PHE 10 HE1 PHE 10 2.740 -13.100 14.959 76 HZ PHE 10 HZ PHE 10 0.299 -13.591 15.236 77 H SER 11 H SER 11 -1.534 -9.667 10.815 78 HA SER 11 HA SER 11 -1.287 -9.245 13.625 79 HB2 SER 11 HB1 SER 11 -2.593 -7.190 11.772 80 HB3 SER 11 HB2 SER 11 -3.034 -7.360 13.476 81 HG SER 11 HG SER 11 -0.322 -7.154 12.771 82 HA PRO 12 HA PRO 12 -5.269 -11.412 12.978 83 HB2 PRO 12 HB1 PRO 12 -6.088 -11.782 15.488 84 HB3 PRO 12 HB2 PRO 12 -4.492 -12.435 14.996 85 HG2 PRO 12 HG1 PRO 12 -5.075 -9.878 16.504 86 HG3 PRO 12 HG2 PRO 12 -3.815 -11.119 16.849 87 HD2 PRO 12 HD1 PRO 12 -3.481 -8.737 15.334 88 HD3 PRO 12 HD2 PRO 12 -2.378 -10.129 15.340 89 H GLY 13 H GLY 13 -7.532 -10.873 14.592 90 HA2 GLY 13 HA3 GLY 13 -9.304 -9.369 14.877 91 HA3 GLY 13 HA2 GLY 13 -8.231 -8.032 14.405 92 HA PRO 14 HA PRO 14 -10.944 -8.847 10.742 93 HB2 PRO 14 HB1 PRO 14 -12.287 -6.519 10.553 94 HB3 PRO 14 HB2 PRO 14 -12.695 -7.712 11.822 95 HG2 PRO 14 HG1 PRO 14 -10.945 -5.248 12.074 96 HG3 PRO 14 HG2 PRO 14 -12.286 -5.772 13.157 97 HD2 PRO 14 HD1 PRO 14 -9.601 -6.308 13.634 98 HD3 PRO 14 HD2 PRO 14 -10.927 -7.363 14.195 99 H ASN 15 H ASN 15 -8.408 -6.586 11.451 100 HA ASN 15 HA ASN 15 -7.971 -5.977 8.615 101 HB2 ASN 15 HB1 ASN 15 -7.997 -3.612 8.963 102 HB3 ASN 15 HB2 ASN 15 -9.530 -4.254 9.567 103 HD21 ASN 15 HD21 ASN 15 -7.210 -1.994 10.224 104 HD22 ASN 15 HD22 ASN 15 -7.436 -1.934 11.970 105 H ALA 16 H ALA 16 -5.986 -4.758 8.214 106 HA ALA 16 HA ALA 16 -3.747 -4.870 10.029 107 HB1 ALA 16 HB1 ALA 16 -3.893 -7.014 7.856 108 HB2 ALA 16 HB2 ALA 16 -2.484 -6.676 8.882 109 HB3 ALA 16 HB3 ALA 16 -3.964 -7.292 9.607 110 H ALA 17 H ALA 17 -1.667 -5.011 8.052 111 HA ALA 17 HA ALA 17 -2.345 -2.779 6.201 112 HB1 ALA 17 HB1 ALA 17 0.045 -2.801 8.089 113 HB2 ALA 17 HB2 ALA 17 -0.330 -1.561 6.881 114 HB3 ALA 17 HB3 ALA 17 -1.403 -1.782 8.273 115 H ALA 18 H ALA 18 -1.030 -2.584 4.382 116 HA ALA 18 HA ALA 18 1.248 -4.470 4.068 117 HB1 ALA 18 HB1 ALA 18 -0.829 -3.795 1.930 118 HB2 ALA 18 HB2 ALA 18 0.694 -4.663 1.644 119 HB3 ALA 18 HB3 ALA 18 -0.557 -5.380 2.677 120 H TYR 19 H TYR 19 2.992 -3.646 2.925 121 HA TYR 19 HA TYR 19 2.897 -0.836 1.961 122 HB2 TYR 19 HB1 TYR 19 5.352 -1.686 3.396 123 HB3 TYR 19 HB2 TYR 19 4.656 -0.085 3.219 124 HD1 TYR 19 HD1 TYR 19 4.488 -3.295 5.031 125 HD2 TYR 19 HD2 TYR 19 3.219 0.820 5.010 126 HE1 TYR 19 HE1 TYR 19 3.908 -3.471 7.424 127 HE2 TYR 19 HE2 TYR 19 2.612 0.630 7.436 128 HH TYR 19 HH TYR 19 3.714 -2.202 9.317 129 H LEU 20 H LEU 20 4.692 -0.315 0.481 130 HA LEU 20 HA LEU 20 6.474 -2.335 -0.381 131 HB2 LEU 20 HB1 LEU 20 5.707 -2.958 -2.502 132 HB3 LEU 20 HB2 LEU 20 4.398 -3.319 -1.393 133 HG LEU 20 HG LEU 20 4.520 -0.880 -3.229 134 HD11 LEU 20 HD11 LEU 20 2.896 -2.089 -4.617 135 HD12 LEU 20 HD12 LEU 20 3.018 -3.510 -3.551 136 HD13 LEU 20 HD13 LEU 20 4.420 -2.979 -4.503 137 HD21 LEU 20 HD21 LEU 20 2.093 -0.696 -2.785 138 HD22 LEU 20 HD22 LEU 20 3.034 -0.467 -1.314 139 HD23 LEU 20 HD23 LEU 20 2.205 -2.017 -1.597 140 H THR 21 H THR 21 7.958 -1.797 -1.872 141 HA THR 21 HA THR 21 8.029 0.959 -2.942 142 HB THR 21 HB THR 21 9.831 -1.464 -3.099 143 HG1 THR 21 HG1 THR 21 11.047 0.746 -2.402 144 HG21 THR 21 HG21 THR 21 11.321 -0.164 -4.499 145 HG22 THR 21 HG22 THR 21 10.094 1.128 -4.675 146 HG23 THR 21 HG23 THR 21 9.838 -0.497 -5.356 147 H LEU 22 H LEU 22 7.379 1.436 -4.956 148 HA LEU 22 HA LEU 22 6.657 -0.693 -6.862 149 HB2 LEU 22 HB1 LEU 22 4.644 -0.240 -5.544 150 HB3 LEU 22 HB2 LEU 22 4.733 1.476 -5.900 151 HG LEU 22 HG LEU 22 2.989 0.090 -7.088 152 HD11 LEU 22 HD11 LEU 22 3.633 2.350 -7.808 153 HD12 LEU 22 HD12 LEU 22 3.109 1.340 -9.154 154 HD13 LEU 22 HD13 LEU 22 4.828 1.659 -8.931 155 HD21 LEU 22 HD21 LEU 22 5.275 -0.880 -8.851 156 HD22 LEU 22 HD22 LEU 22 3.552 -1.238 -9.019 157 HD23 LEU 22 HD23 LEU 22 4.449 -1.864 -7.625 158 H GLU 23 H GLU 23 7.154 -0.127 -8.948 159 HA GLU 23 HA GLU 23 7.936 2.630 -9.555 160 HB2 GLU 23 HB1 GLU 23 10.177 2.174 -9.987 161 HB3 GLU 23 HB2 GLU 23 9.801 1.535 -8.363 162 HG2 GLU 23 HG1 GLU 23 9.765 -0.755 -9.339 163 HG3 GLU 23 HG2 GLU 23 10.357 -0.065 -10.859 164 H ASN 24 H ASN 24 8.623 3.026 -11.669 165 HA ASN 24 HA ASN 24 6.938 1.464 -13.573 166 HB2 ASN 24 HB1 ASN 24 6.220 3.724 -12.792 167 HB3 ASN 24 HB2 ASN 24 7.662 4.410 -13.555 168 HD21 ASN 24 HD21 ASN 24 5.121 5.252 -14.293 169 HD22 ASN 24 HD22 ASN 24 4.942 4.803 -15.984 170 HA PRO 25 HA PRO 25 11.000 1.232 -15.660 171 HB2 PRO 25 HB1 PRO 25 10.666 -1.123 -16.992 172 HB3 PRO 25 HB2 PRO 25 10.962 -1.073 -15.226 173 HG2 PRO 25 HG1 PRO 25 8.288 -1.277 -16.652 174 HG3 PRO 25 HG2 PRO 25 8.908 -2.326 -15.329 175 HD2 PRO 25 HD1 PRO 25 7.253 -0.196 -14.861 176 HD3 PRO 25 HD2 PRO 25 8.557 -0.633 -13.722 177 H GLY 26 H GLY 26 7.765 1.554 -16.958 178 HA2 GLY 26 HA3 GLY 26 8.583 1.531 -19.768 179 HA3 GLY 26 HA2 GLY 26 6.961 1.833 -19.105 180 H ASP 27 H ASP 27 7.163 3.450 -20.878 181 HA ASP 27 HA ASP 27 8.462 6.008 -20.060 182 HB2 ASP 27 HB1 ASP 27 7.757 4.837 -22.769 183 HB3 ASP 27 HB2 ASP 27 8.453 6.455 -22.507 184 H LEU 28 H LEU 28 5.748 4.873 -19.342 185 HA LEU 28 HA LEU 28 3.941 7.043 -20.308 186 HB2 LEU 28 HB1 LEU 28 2.998 4.350 -19.327 187 HB3 LEU 28 HB2 LEU 28 2.148 5.486 -20.380 188 HG LEU 28 HG LEU 28 4.533 3.779 -21.243 189 HD11 LEU 28 HD11 LEU 28 1.560 3.322 -21.642 190 HD12 LEU 28 HD12 LEU 28 2.662 2.370 -20.614 191 HD13 LEU 28 HD13 LEU 28 2.878 2.376 -22.371 192 HD21 LEU 28 HD21 LEU 28 2.527 5.410 -22.869 193 HD22 LEU 28 HD22 LEU 28 3.829 4.390 -23.520 194 HD23 LEU 28 HD23 LEU 28 4.227 5.844 -22.595 195 HA PRO 29 HA PRO 29 3.365 7.617 -15.868 196 HB2 PRO 29 HB1 PRO 29 0.957 8.855 -15.659 197 HB3 PRO 29 HB2 PRO 29 2.361 9.622 -16.461 198 HG2 PRO 29 HG1 PRO 29 -0.005 8.246 -17.725 199 HG3 PRO 29 HG2 PRO 29 0.831 9.747 -18.257 200 HD2 PRO 29 HD1 PRO 29 1.250 7.146 -19.269 201 HD3 PRO 29 HD2 PRO 29 2.401 8.477 -19.459 202 H LEU 30 H LEU 30 2.180 6.807 -13.976 203 HA LEU 30 HA LEU 30 0.363 4.483 -14.490 204 HB2 LEU 30 HB1 LEU 30 3.094 4.374 -13.908 205 HB3 LEU 30 HB2 LEU 30 2.309 3.934 -12.398 206 HG LEU 30 HG LEU 30 0.957 2.247 -13.728 207 HD11 LEU 30 HD11 LEU 30 1.225 3.072 -15.997 208 HD12 LEU 30 HD12 LEU 30 1.955 1.469 -15.863 209 HD13 LEU 30 HD13 LEU 30 3.000 2.911 -15.874 210 HD21 LEU 30 HD21 LEU 30 3.969 1.881 -13.800 211 HD22 LEU 30 HD22 LEU 30 2.721 0.603 -13.767 212 HD23 LEU 30 HD23 LEU 30 2.948 1.659 -12.362 213 H ARG 31 H ARG 31 -1.340 5.173 -13.597 214 HA ARG 31 HA ARG 31 -1.401 6.420 -10.888 215 HB2 ARG 31 HB1 ARG 31 -2.625 7.516 -12.757 216 HB3 ARG 31 HB2 ARG 31 -3.731 6.129 -12.795 217 HG2 ARG 31 HG1 ARG 31 -4.579 6.619 -10.629 218 HG3 ARG 31 HG2 ARG 31 -3.255 7.730 -10.243 219 HD2 ARG 31 HD1 ARG 31 -5.302 8.291 -12.419 220 HD3 ARG 31 HD2 ARG 31 -5.501 8.787 -10.715 221 HE ARG 31 HE ARG 31 -2.959 9.655 -11.793 222 HH11 ARG 31 HH12 ARG 31 -6.355 10.709 -11.808 223 HH12 ARG 31 HH11 ARG 31 -5.876 12.375 -11.997 224 HH21 ARG 31 HH22 ARG 31 -2.463 11.709 -11.847 225 HH22 ARG 31 HH21 ARG 31 -3.666 12.946 -12.035 226 H LEU 32 H LEU 32 -1.447 5.139 -9.230 227 HA LEU 32 HA LEU 32 -2.488 2.363 -9.327 228 HB2 LEU 32 HB1 LEU 32 -0.231 2.740 -8.517 229 HB3 LEU 32 HB2 LEU 32 -0.801 3.976 -7.376 230 HG LEU 32 HG LEU 32 -2.080 2.117 -6.183 231 HD11 LEU 32 HD11 LEU 32 -2.052 0.442 -8.057 232 HD12 LEU 32 HD12 LEU 32 -1.357 -0.196 -6.565 233 HD13 LEU 32 HD13 LEU 32 -0.294 0.317 -7.892 234 HD21 LEU 32 HD21 LEU 32 0.056 3.024 -5.347 235 HD22 LEU 32 HD22 LEU 32 0.957 1.891 -6.379 236 HD23 LEU 32 HD23 LEU 32 -0.046 1.283 -5.043 237 H VAL 33 H VAL 33 -4.558 2.065 -8.709 238 HA VAL 33 HA VAL 33 -5.931 4.274 -7.205 239 HB VAL 33 HB VAL 33 -8.020 3.569 -8.310 240 HG11 VAL 33 HG11 VAL 33 -7.511 4.424 -10.554 241 HG12 VAL 33 HG12 VAL 33 -6.660 5.360 -9.319 242 HG13 VAL 33 HG13 VAL 33 -5.778 4.166 -10.289 243 HG21 VAL 33 HG21 VAL 33 -6.330 1.722 -10.046 244 HG22 VAL 33 HG22 VAL 33 -7.439 1.167 -8.772 245 HG23 VAL 33 HG23 VAL 33 -8.064 2.031 -10.182 246 H GLY 34 H GLY 34 -4.986 0.989 -6.813 247 HA2 GLY 34 HA3 GLY 34 -5.941 0.811 -4.197 248 HA3 GLY 34 HA2 GLY 34 -7.155 0.031 -5.237 249 H ALA 35 H ALA 35 -6.623 -1.898 -4.048 250 HA ALA 35 HA ALA 35 -4.632 -3.462 -5.453 251 HB1 ALA 35 HB1 ALA 35 -3.824 -4.339 -3.076 252 HB2 ALA 35 HB2 ALA 35 -3.181 -2.797 -3.675 253 HB3 ALA 35 HB3 ALA 35 -4.481 -2.827 -2.467 254 H ARG 36 H ARG 36 -4.811 -5.945 -4.589 255 HA ARG 36 HA ARG 36 -7.294 -6.523 -3.146 256 HB2 ARG 36 HB1 ARG 36 -8.609 -6.586 -4.929 257 HB3 ARG 36 HB2 ARG 36 -7.256 -6.544 -6.080 258 HG2 ARG 36 HG1 ARG 36 -8.617 -8.425 -6.523 259 HG3 ARG 36 HG2 ARG 36 -7.039 -8.962 -5.931 260 HD2 ARG 36 HD1 ARG 36 -7.923 -9.809 -3.954 261 HD3 ARG 36 HD2 ARG 36 -9.376 -8.783 -4.045 262 HE ARG 36 HE ARG 36 -10.341 -10.663 -4.794 263 HH11 ARG 36 HH12 ARG 36 -7.311 -10.555 -6.795 264 HH12 ARG 36 HH11 ARG 36 -7.769 -11.978 -7.601 265 HH21 ARG 36 HH22 ARG 36 -10.815 -12.415 -6.027 266 HH22 ARG 36 HH21 ARG 36 -9.729 -12.932 -7.288 267 H THR 37 H THR 37 -6.937 -8.334 -1.934 268 HA THR 37 HA THR 37 -4.861 -10.278 -2.810 269 HB THR 37 HB THR 37 -3.647 -8.869 -1.329 270 HG1 THR 37 HG1 THR 37 -3.178 -10.892 -0.984 271 HG21 THR 37 HG21 THR 37 -5.794 -9.294 0.791 272 HG22 THR 37 HG22 THR 37 -5.513 -7.762 -0.071 273 HG23 THR 37 HG23 THR 37 -4.262 -8.423 0.983 274 HA PRO 38 HA PRO 38 -8.113 -12.996 -1.249 275 HB2 PRO 38 HB1 PRO 38 -6.818 -15.368 -1.026 276 HB3 PRO 38 HB2 PRO 38 -7.177 -14.587 -2.604 277 HG2 PRO 38 HG1 PRO 38 -4.582 -14.475 -1.078 278 HG3 PRO 38 HG2 PRO 38 -4.841 -14.931 -2.804 279 HD2 PRO 38 HD1 PRO 38 -4.155 -12.395 -2.052 280 HD3 PRO 38 HD2 PRO 38 -5.252 -12.702 -3.423 281 H VAL 39 H VAL 39 -5.132 -12.296 0.433 282 HA VAL 39 HA VAL 39 -5.990 -13.557 2.913 283 HB VAL 39 HB VAL 39 -4.161 -12.811 4.024 284 HG11 VAL 39 HG11 VAL 39 -3.191 -12.925 1.146 285 HG12 VAL 39 HG12 VAL 39 -2.297 -13.380 2.620 286 HG13 VAL 39 HG13 VAL 39 -3.724 -14.300 2.113 287 HG21 VAL 39 HG21 VAL 39 -4.193 -10.394 3.793 288 HG22 VAL 39 HG22 VAL 39 -2.599 -11.005 3.358 289 HG23 VAL 39 HG23 VAL 39 -3.730 -10.508 2.093 290 H ALA 40 H ALA 40 -7.421 -11.082 1.416 291 HA ALA 40 HA ALA 40 -8.651 -10.040 3.867 292 HB1 ALA 40 HB1 ALA 40 -8.393 -7.713 3.238 293 HB2 ALA 40 HB2 ALA 40 -6.787 -8.445 3.249 294 HB3 ALA 40 HB3 ALA 40 -7.625 -8.154 1.705 295 H GLU 41 H GLU 41 -10.484 -8.360 2.882 296 HA GLU 41 HA GLU 41 -11.799 -9.670 0.540 297 HB2 GLU 41 HB1 GLU 41 -13.017 -9.538 2.823 298 HB3 GLU 41 HB2 GLU 41 -13.147 -7.797 2.534 299 HG2 GLU 41 HG1 GLU 41 -15.194 -8.811 1.771 300 HG3 GLU 41 HG2 GLU 41 -14.295 -8.359 0.318 301 H ARG 42 H ARG 42 -11.295 -6.474 2.081 302 HA ARG 42 HA ARG 42 -10.980 -5.276 -0.632 303 HB2 ARG 42 HB1 ARG 42 -12.157 -3.377 -0.072 304 HB3 ARG 42 HB2 ARG 42 -13.145 -4.676 0.606 305 HG2 ARG 42 HG1 ARG 42 -11.993 -4.155 2.855 306 HG3 ARG 42 HG2 ARG 42 -11.331 -2.705 2.064 307 HD2 ARG 42 HD1 ARG 42 -13.885 -2.343 1.380 308 HD3 ARG 42 HD2 ARG 42 -14.173 -3.389 2.780 309 HE ARG 42 HE ARG 42 -12.562 -0.834 2.970 310 HH11 ARG 42 HH12 ARG 42 -15.341 -2.662 4.173 311 HH12 ARG 42 HH11 ARG 42 -15.776 -1.370 5.264 312 HH21 ARG 42 HH22 ARG 42 -13.064 0.626 4.296 313 HH22 ARG 42 HH21 ARG 42 -14.386 0.500 5.450 314 H VAL 43 H VAL 43 -9.671 -3.266 -0.603 315 HA VAL 43 HA VAL 43 -8.086 -2.709 1.688 316 HB VAL 43 HB VAL 43 -6.554 -4.365 1.151 317 HG11 VAL 43 HG11 VAL 43 -5.693 -4.859 -1.118 318 HG12 VAL 43 HG12 VAL 43 -7.435 -5.119 -1.001 319 HG13 VAL 43 HG13 VAL 43 -6.811 -3.635 -1.760 320 HG21 VAL 43 HG21 VAL 43 -5.454 -1.991 -0.423 321 HG22 VAL 43 HG22 VAL 43 -5.359 -2.176 1.338 322 HG23 VAL 43 HG23 VAL 43 -4.520 -3.319 0.275 323 H GLU 44 H GLU 44 -7.372 -0.703 1.739 324 HA GLU 44 HA GLU 44 -8.156 1.132 -0.510 325 HB2 GLU 44 HB1 GLU 44 -8.301 1.411 2.519 326 HB3 GLU 44 HB2 GLU 44 -8.616 2.732 1.372 327 HG2 GLU 44 HG1 GLU 44 -10.596 1.700 0.566 328 HG3 GLU 44 HG2 GLU 44 -10.204 0.142 1.326 329 H LEU 45 H LEU 45 -6.476 2.504 -1.218 330 HA LEU 45 HA LEU 45 -3.996 2.522 0.292 331 HB2 LEU 45 HB1 LEU 45 -4.229 2.501 -2.248 332 HB3 LEU 45 HB2 LEU 45 -4.718 4.192 -2.148 333 HG LEU 45 HG LEU 45 -2.218 3.373 -0.634 334 HD11 LEU 45 HD11 LEU 45 -1.916 2.168 -2.691 335 HD12 LEU 45 HD12 LEU 45 -0.846 3.571 -2.644 336 HD13 LEU 45 HD13 LEU 45 -2.332 3.602 -3.656 337 HD21 LEU 45 HD21 LEU 45 -3.029 5.716 -0.694 338 HD22 LEU 45 HD22 LEU 45 -2.877 5.694 -2.478 339 HD23 LEU 45 HD23 LEU 45 -1.434 5.535 -1.432 340 H HIS 46 H HIS 46 -3.688 3.677 1.933 341 HA HIS 46 HA HIS 46 -5.146 6.211 2.320 342 HB2 HIS 46 HB1 HIS 46 -3.937 4.241 4.260 343 HB3 HIS 46 HB2 HIS 46 -4.395 5.875 4.755 344 HD2 HIS 46 HD2 HIS 46 -7.011 4.217 2.479 345 HE1 HIS 46 HE1 HIS 46 -8.416 3.770 6.446 346 HE2 HIS 46 HE2 HIS 46 -8.998 3.430 3.980 347 H GLU 47 H GLU 47 -4.108 7.939 3.145 348 HA GLU 47 HA GLU 47 -1.191 8.323 2.668 349 HB2 GLU 47 HB1 GLU 47 -1.749 10.754 2.848 350 HB3 GLU 47 HB2 GLU 47 -2.525 9.968 1.455 351 HG2 GLU 47 HG1 GLU 47 -4.646 9.915 2.557 352 HG3 GLU 47 HG2 GLU 47 -3.958 10.408 4.111 353 H THR 48 H THR 48 -0.070 9.587 4.363 354 HA THR 48 HA THR 48 -1.472 9.986 6.905 355 HB THR 48 HB THR 48 1.048 8.305 6.746 356 HG1 THR 48 HG1 THR 48 -1.499 7.781 6.683 357 HG21 THR 48 HG21 THR 48 -0.421 9.485 9.156 358 HG22 THR 48 HG22 THR 48 1.263 9.781 8.685 359 HG23 THR 48 HG23 THR 48 0.768 8.174 9.254 360 H PHE 49 H PHE 49 -1.051 11.940 7.582 361 HA PHE 49 HA PHE 49 0.942 13.499 5.994 362 HB2 PHE 49 HB1 PHE 49 -0.943 15.013 5.519 363 HB3 PHE 49 HB2 PHE 49 -1.217 13.381 4.904 364 HD1 PHE 49 HD2 PHE 49 -2.085 15.698 7.726 365 HD2 PHE 49 HD1 PHE 49 -3.208 12.164 5.556 366 HE1 PHE 49 HE2 PHE 49 -4.271 15.730 8.848 367 HE2 PHE 49 HE1 PHE 49 -5.417 12.204 6.681 368 HZ PHE 49 HZ PHE 49 -5.959 13.985 8.304 369 H MET 50 H MET 50 1.472 15.559 6.698 370 HA MET 50 HA MET 50 1.234 15.977 9.653 371 HB2 MET 50 HB1 MET 50 3.478 16.807 7.781 372 HB3 MET 50 HB2 MET 50 3.413 17.011 9.559 373 HG2 MET 50 HG1 MET 50 4.486 14.982 9.520 374 HG3 MET 50 HG2 MET 50 2.793 14.434 9.458 375 HE1 MET 50 HE1 MET 50 3.648 11.705 7.091 376 HE2 MET 50 HE2 MET 50 4.124 12.102 8.760 377 HE3 MET 50 HE3 MET 50 2.450 12.360 8.208 378 H ARG 51 H ARG 51 -0.812 16.768 8.557 379 HA ARG 51 HA ARG 51 -0.759 19.640 7.779 380 HB2 ARG 51 HB1 ARG 51 -3.105 17.737 8.062 381 HB3 ARG 51 HB2 ARG 51 -3.215 19.437 7.534 382 HG2 ARG 51 HG1 ARG 51 -1.828 18.962 5.583 383 HG3 ARG 51 HG2 ARG 51 -1.616 17.274 6.091 384 HD2 ARG 51 HD1 ARG 51 -4.111 16.969 5.885 385 HD3 ARG 51 HD2 ARG 51 -4.203 18.612 5.205 386 HE ARG 51 HE ARG 51 -2.698 17.796 3.381 387 HH11 ARG 51 HH12 ARG 51 -4.527 15.235 5.095 388 HH12 ARG 51 HH11 ARG 51 -4.173 14.127 3.773 389 HH21 ARG 51 HH22 ARG 51 -2.373 16.122 1.808 390 HH22 ARG 51 HH21 ARG 51 -3.021 14.535 2.212 391 H GLU 52 H GLU 52 -1.983 21.226 8.860 392 HA GLU 52 HA GLU 52 -1.678 21.474 11.647 393 HB2 GLU 52 HB1 GLU 52 -3.178 22.993 9.516 394 HB3 GLU 52 HB2 GLU 52 -3.193 23.474 11.245 395 HG2 GLU 52 HG1 GLU 52 -1.533 24.789 10.352 396 HG3 GLU 52 HG2 GLU 52 -0.655 23.467 11.132 397 H VAL 53 H VAL 53 -3.103 21.566 13.287 398 HA VAL 53 HA VAL 53 -5.970 20.798 12.882 399 HB VAL 53 HB VAL 53 -4.316 19.789 15.204 400 HG11 VAL 53 HG11 VAL 53 -6.743 20.158 15.715 401 HG12 VAL 53 HG12 VAL 53 -7.177 19.156 14.320 402 HG13 VAL 53 HG13 VAL 53 -6.328 18.441 15.706 403 HG21 VAL 53 HG21 VAL 53 -4.653 17.528 14.213 404 HG22 VAL 53 HG22 VAL 53 -5.364 18.271 12.766 405 HG23 VAL 53 HG23 VAL 53 -3.659 18.555 13.172 406 H GLU 54 H GLU 54 -4.745 21.397 15.997 407 HA GLU 54 HA GLU 54 -6.043 23.967 16.377 408 HB2 GLU 54 HB1 GLU 54 -3.897 22.601 18.017 409 HB3 GLU 54 HB2 GLU 54 -4.945 23.903 18.584 410 HG2 GLU 54 HG1 GLU 54 -6.762 22.459 18.893 411 HG3 GLU 54 HG2 GLU 54 -6.144 21.243 17.751 412 H GLY 55 H GLY 55 -4.433 24.329 14.132 413 HA2 GLY 55 HA3 GLY 55 -2.788 25.651 13.194 414 HA3 GLY 55 HA2 GLY 55 -2.415 26.302 14.806 415 H LYS 56 H LYS 56 -1.917 23.538 15.872 416 HA LYS 56 HA LYS 56 0.868 23.232 15.186 417 HB2 LYS 56 HB1 LYS 56 0.863 21.578 16.930 418 HB3 LYS 56 HB2 LYS 56 -0.114 22.950 17.477 419 HG2 LYS 56 HG1 LYS 56 -2.169 21.662 16.851 420 HG3 LYS 56 HG2 LYS 56 -1.131 20.286 16.394 421 HD2 LYS 56 HD1 LYS 56 -2.072 19.845 18.533 422 HD3 LYS 56 HD2 LYS 56 -0.341 20.104 18.734 423 HE2 LYS 56 HE1 LYS 56 -0.671 22.130 19.882 424 HE3 LYS 56 HE2 LYS 56 -2.245 22.426 19.076 425 HZ1 LYS 56 HZ1 LYS 56 -1.770 20.513 21.291 426 HZ2 LYS 56 HZ2 LYS 56 -3.127 20.556 20.340 427 HZ3 LYS 56 HZ3 LYS 56 -2.829 21.813 21.213 428 H LYS 57 H LYS 57 1.863 21.504 14.109 429 HA LYS 57 HA LYS 57 0.299 20.109 12.061 430 HB2 LYS 57 HB1 LYS 57 3.192 19.654 12.837 431 HB3 LYS 57 HB2 LYS 57 2.431 19.270 11.290 432 HG2 LYS 57 HG1 LYS 57 2.915 22.071 12.376 433 HG3 LYS 57 HG2 LYS 57 3.986 21.235 11.238 434 HD2 LYS 57 HD1 LYS 57 1.120 21.511 10.431 435 HD3 LYS 57 HD2 LYS 57 2.096 23.010 10.506 436 HE2 LYS 57 HE1 LYS 57 3.742 22.063 8.980 437 HE3 LYS 57 HE2 LYS 57 2.884 20.515 8.948 438 HZ1 LYS 57 HZ1 LYS 57 2.328 21.951 7.011 439 HZ2 LYS 57 HZ2 LYS 57 1.724 23.099 8.052 440 HZ3 LYS 57 HZ3 LYS 57 0.979 21.723 7.953 441 H VAL 58 H VAL 58 -0.522 18.022 12.206 442 HA VAL 58 HA VAL 58 0.494 16.201 14.365 443 HB VAL 58 HB VAL 58 -2.436 16.576 13.695 444 HG11 VAL 58 HG11 VAL 58 -2.031 14.318 14.498 445 HG12 VAL 58 HG12 VAL 58 -1.048 14.928 15.851 446 HG13 VAL 58 HG13 VAL 58 -2.798 15.228 15.791 447 HG21 VAL 58 HG21 VAL 58 -2.665 17.564 15.990 448 HG22 VAL 58 HG22 VAL 58 -0.894 17.574 16.133 449 HG23 VAL 58 HG23 VAL 58 -1.713 18.571 14.906 450 H MET 59 H MET 59 0.295 13.937 13.877 451 HA MET 59 HA MET 59 0.269 13.325 11.002 452 HB2 MET 59 HB1 MET 59 1.235 11.850 13.372 453 HB3 MET 59 HB2 MET 59 0.814 10.969 11.869 454 HG2 MET 59 HG1 MET 59 2.213 12.521 10.567 455 HG3 MET 59 HG2 MET 59 2.719 13.329 12.052 456 HE1 MET 59 HE1 MET 59 3.770 12.211 13.944 457 HE2 MET 59 HE2 MET 59 2.954 10.639 13.940 458 HE3 MET 59 HE3 MET 59 4.736 10.698 13.931 459 H GLY 60 H GLY 60 -1.812 13.461 10.297 460 HA2 GLY 60 HA3 GLY 60 -3.850 11.610 11.460 461 HA3 GLY 60 HA2 GLY 60 -4.175 12.931 10.315 462 H MET 61 H MET 61 -5.177 10.385 9.864 463 HA MET 61 HA MET 61 -3.680 9.442 7.455 464 HB2 MET 61 HB1 MET 61 -5.324 7.672 9.285 465 HB3 MET 61 HB2 MET 61 -4.299 7.184 7.908 466 HG2 MET 61 HG1 MET 61 -2.975 6.612 9.686 467 HG3 MET 61 HG2 MET 61 -2.356 8.214 9.296 468 HE1 MET 61 HE1 MET 61 -1.174 8.699 11.500 469 HE2 MET 61 HE2 MET 61 -1.806 8.196 13.077 470 HE3 MET 61 HE3 MET 61 -1.484 6.974 11.815 471 H ARG 62 H ARG 62 -5.144 8.254 5.886 472 HA ARG 62 HA ARG 62 -8.004 8.648 5.857 473 HB2 ARG 62 HB1 ARG 62 -6.391 10.945 5.249 474 HB3 ARG 62 HB2 ARG 62 -7.077 10.371 3.715 475 HG2 ARG 62 HG1 ARG 62 -9.337 10.576 4.614 476 HG3 ARG 62 HG2 ARG 62 -8.703 11.047 6.206 477 HD2 ARG 62 HD1 ARG 62 -9.506 12.973 4.751 478 HD3 ARG 62 HD2 ARG 62 -7.834 13.110 5.359 479 HE ARG 62 HE ARG 62 -6.989 12.852 3.204 480 HH11 ARG 62 HH12 ARG 62 -10.435 12.066 2.942 481 HH12 ARG 62 HH11 ARG 62 -10.205 11.504 1.307 482 HH21 ARG 62 HH22 ARG 62 -6.784 12.185 1.325 483 HH22 ARG 62 HH21 ARG 62 -8.096 11.474 0.410 484 HA PRO 63 HA PRO 63 -7.090 6.283 1.986 485 HB2 PRO 63 HB1 PRO 63 -9.598 6.195 0.896 486 HB3 PRO 63 HB2 PRO 63 -9.002 5.011 2.072 487 HG2 PRO 63 HG1 PRO 63 -10.730 7.403 2.532 488 HG3 PRO 63 HG2 PRO 63 -10.845 5.799 3.308 489 HD2 PRO 63 HD1 PRO 63 -9.739 8.038 4.508 490 HD3 PRO 63 HD2 PRO 63 -9.185 6.380 4.875 491 H VAL 64 H VAL 64 -6.622 6.946 -0.015 492 HA VAL 64 HA VAL 64 -7.626 9.614 -0.959 493 HB VAL 64 HB VAL 64 -5.594 9.487 -2.539 494 HG11 VAL 64 HG11 VAL 64 -4.140 10.594 -0.874 495 HG12 VAL 64 HG12 VAL 64 -5.819 11.153 -0.791 496 HG13 VAL 64 HG13 VAL 64 -5.208 10.008 0.421 497 HG21 VAL 64 HG21 VAL 64 -4.450 7.670 -0.384 498 HG22 VAL 64 HG22 VAL 64 -4.911 7.140 -2.021 499 HG23 VAL 64 HG23 VAL 64 -3.613 8.325 -1.800 500 HA PRO 65 HA PRO 65 -9.409 7.358 -4.352 501 HB2 PRO 65 HB1 PRO 65 -9.352 9.132 -6.423 502 HB3 PRO 65 HB2 PRO 65 -10.404 9.351 -4.989 503 HG2 PRO 65 HG1 PRO 65 -7.668 10.570 -5.487 504 HG3 PRO 65 HG2 PRO 65 -9.178 11.413 -4.988 505 HD2 PRO 65 HD1 PRO 65 -7.305 10.651 -3.162 506 HD3 PRO 65 HD2 PRO 65 -9.053 10.512 -2.801 507 H PHE 66 H PHE 66 -6.055 8.415 -4.506 508 HA PHE 66 HA PHE 66 -5.195 6.107 -5.825 509 HB2 PHE 66 HB1 PHE 66 -4.321 7.031 -7.922 510 HB3 PHE 66 HB2 PHE 66 -6.078 7.022 -7.898 511 HD1 PHE 66 HD2 PHE 66 -3.044 9.131 -7.934 512 HD2 PHE 66 HD1 PHE 66 -7.351 9.121 -7.876 513 HE1 PHE 66 HE2 PHE 66 -3.052 11.521 -8.572 514 HE2 PHE 66 HE1 PHE 66 -7.361 11.528 -8.483 515 HZ PHE 66 HZ PHE 66 -5.206 12.735 -8.827 516 H LEU 67 H LEU 67 -2.964 6.046 -6.160 517 HA LEU 67 HA LEU 67 -1.347 8.446 -5.546 518 HB2 LEU 67 HB1 LEU 67 -0.890 5.604 -4.733 519 HB3 LEU 67 HB2 LEU 67 0.506 6.386 -5.508 520 HG LEU 67 HG LEU 67 -0.897 7.285 -2.972 521 HD11 LEU 67 HD11 LEU 67 0.618 5.290 -2.794 522 HD12 LEU 67 HD12 LEU 67 1.344 6.693 -1.998 523 HD13 LEU 67 HD13 LEU 67 1.909 6.200 -3.602 524 HD21 LEU 67 HD21 LEU 67 -0.121 9.328 -4.057 525 HD22 LEU 67 HD22 LEU 67 1.430 8.564 -4.490 526 HD23 LEU 67 HD23 LEU 67 1.036 8.914 -2.796 527 H GLU 68 H GLU 68 0.796 8.201 -6.987 528 HA GLU 68 HA GLU 68 0.504 6.534 -9.273 529 HB2 GLU 68 HB1 GLU 68 0.232 7.991 -11.033 530 HB3 GLU 68 HB2 GLU 68 -1.066 8.363 -9.892 531 HG2 GLU 68 HG1 GLU 68 0.268 10.383 -9.186 532 HG3 GLU 68 HG2 GLU 68 1.384 10.020 -10.521 533 H VAL 69 H VAL 69 2.211 6.798 -10.858 534 HA VAL 69 HA VAL 69 4.704 7.930 -9.712 535 HB VAL 69 HB VAL 69 4.733 5.206 -11.068 536 HG11 VAL 69 HG11 VAL 69 6.593 6.476 -9.006 537 HG12 VAL 69 HG12 VAL 69 6.812 4.899 -9.793 538 HG13 VAL 69 HG13 VAL 69 6.902 6.376 -10.749 539 HG21 VAL 69 HG21 VAL 69 3.224 4.762 -9.250 540 HG22 VAL 69 HG22 VAL 69 4.816 4.129 -8.821 541 HG23 VAL 69 HG23 VAL 69 4.253 5.653 -8.105 542 HA PRO 70 HA PRO 70 5.155 9.057 -14.077 543 HB2 PRO 70 HB1 PRO 70 7.565 10.311 -14.003 544 HB3 PRO 70 HB2 PRO 70 6.090 11.042 -13.300 545 HG2 PRO 70 HG1 PRO 70 8.252 9.462 -11.865 546 HG3 PRO 70 HG2 PRO 70 7.563 11.061 -11.403 547 HD2 PRO 70 HD1 PRO 70 6.681 8.703 -10.313 548 HD3 PRO 70 HD2 PRO 70 5.570 10.067 -10.629 549 HA PRO 71 HA PRO 71 7.670 5.763 -15.693 550 HB2 PRO 71 HB1 PRO 71 8.829 6.911 -17.941 551 HB3 PRO 71 HB2 PRO 71 7.184 6.220 -17.822 552 HG2 PRO 71 HG1 PRO 71 8.033 9.094 -17.739 553 HG3 PRO 71 HG2 PRO 71 6.525 8.376 -18.427 554 HD2 PRO 71 HD1 PRO 71 6.661 9.671 -15.990 555 HD3 PRO 71 HD2 PRO 71 5.467 8.408 -16.375 556 H LYS 72 H LYS 72 9.627 4.905 -15.429 557 HA LYS 72 HA LYS 72 11.747 4.561 -14.833 558 HB2 LYS 72 HB1 LYS 72 12.431 7.462 -15.289 559 HB3 LYS 72 HB2 LYS 72 13.500 6.050 -15.383 560 HG2 LYS 72 HG1 LYS 72 11.292 6.824 -17.321 561 HG3 LYS 72 HG2 LYS 72 13.044 6.924 -17.565 562 HD2 LYS 72 HD1 LYS 72 13.197 4.463 -17.576 563 HD3 LYS 72 HD2 LYS 72 11.457 4.339 -17.181 564 HE2 LYS 72 HE1 LYS 72 10.965 5.642 -19.267 565 HE3 LYS 72 HE2 LYS 72 12.656 5.514 -19.735 566 HZ1 LYS 72 HZ1 LYS 72 12.365 3.102 -19.805 567 HZ2 LYS 72 HZ2 LYS 72 11.195 3.831 -20.713 568 HZ3 LYS 72 HZ3 LYS 72 10.821 3.236 -19.240 569 H GLY 73 H GLY 73 9.749 6.469 -13.078 570 HA2 GLY 73 HA3 GLY 73 11.590 6.916 -10.811 571 HA3 GLY 73 HA2 GLY 73 9.949 7.576 -10.997 572 H ARG 74 H ARG 74 10.331 6.714 -8.776 573 HA ARG 74 HA ARG 74 8.671 4.336 -8.425 574 HB2 ARG 74 HB1 ARG 74 9.976 3.148 -6.883 575 HB3 ARG 74 HB2 ARG 74 10.987 3.415 -8.314 576 HG2 ARG 74 HG1 ARG 74 12.480 4.766 -7.197 577 HG3 ARG 74 HG2 ARG 74 11.324 5.166 -5.896 578 HD2 ARG 74 HD1 ARG 74 12.984 3.650 -5.030 579 HD3 ARG 74 HD2 ARG 74 11.396 2.863 -5.077 580 HE ARG 74 HE ARG 74 12.631 2.019 -7.424 581 HH11 ARG 74 HH12 ARG 74 13.203 1.552 -3.907 582 HH12 ARG 74 HH11 ARG 74 13.854 -0.018 -4.243 583 HH21 ARG 74 HH22 ARG 74 13.295 -0.001 -7.623 584 HH22 ARG 74 HH21 ARG 74 13.935 -0.876 -6.271 585 H VAL 75 H VAL 75 7.609 4.146 -6.531 586 HA VAL 75 HA VAL 75 7.791 6.377 -4.535 587 HB VAL 75 HB VAL 75 5.450 5.850 -3.869 588 HG11 VAL 75 HG11 VAL 75 4.380 7.164 -5.657 589 HG12 VAL 75 HG12 VAL 75 5.966 7.828 -5.228 590 HG13 VAL 75 HG13 VAL 75 5.776 6.882 -6.719 591 HG21 VAL 75 HG21 VAL 75 5.354 4.266 -6.478 592 HG22 VAL 75 HG22 VAL 75 5.132 3.627 -4.839 593 HG23 VAL 75 HG23 VAL 75 3.933 4.736 -5.515 594 H GLU 76 H GLU 76 7.675 5.682 -2.341 595 HA GLU 76 HA GLU 76 7.886 2.759 -1.871 596 HB2 GLU 76 HB1 GLU 76 9.952 4.694 -0.772 597 HB3 GLU 76 HB2 GLU 76 9.898 2.915 -0.613 598 HG2 GLU 76 HG1 GLU 76 9.982 2.848 -3.168 599 HG3 GLU 76 HG2 GLU 76 10.418 4.557 -3.128 600 H LEU 77 H LEU 77 6.271 2.338 -0.625 601 HA LEU 77 HA LEU 77 4.822 4.492 0.634 602 HB2 LEU 77 HB1 LEU 77 4.319 1.568 0.111 603 HB3 LEU 77 HB2 LEU 77 3.261 2.490 1.218 604 HG LEU 77 HG LEU 77 3.002 4.172 -0.713 605 HD11 LEU 77 HD11 LEU 77 4.755 3.310 -2.242 606 HD12 LEU 77 HD12 LEU 77 3.155 3.274 -2.984 607 HD13 LEU 77 HD13 LEU 77 3.871 1.772 -2.375 608 HD21 LEU 77 HD21 LEU 77 1.182 2.775 0.086 609 HD22 LEU 77 HD22 LEU 77 1.759 1.402 -0.880 610 HD23 LEU 77 HD23 LEU 77 1.143 2.861 -1.680 611 H LYS 78 H LYS 78 6.334 5.173 2.160 612 HA LYS 78 HA LYS 78 6.990 3.593 4.487 613 HB2 LYS 78 HB1 LYS 78 7.403 6.060 5.399 614 HB3 LYS 78 HB2 LYS 78 8.503 5.323 4.203 615 HG2 LYS 78 HG1 LYS 78 7.697 6.611 2.448 616 HG3 LYS 78 HG2 LYS 78 6.195 7.047 3.270 617 HD2 LYS 78 HD1 LYS 78 8.959 8.084 4.011 618 HD3 LYS 78 HD2 LYS 78 7.728 8.933 3.031 619 HE2 LYS 78 HE1 LYS 78 6.225 8.286 5.178 620 HE3 LYS 78 HE2 LYS 78 7.790 8.337 5.990 621 HZ1 LYS 78 HZ1 LYS 78 6.544 10.417 6.029 622 HZ2 LYS 78 HZ2 LYS 78 6.573 10.538 4.410 623 HZ3 LYS 78 HZ3 LYS 78 7.993 10.645 5.256 624 HA PRO 79 HA PRO 79 3.072 3.542 6.511 625 HB2 PRO 79 HB1 PRO 79 3.823 3.775 9.212 626 HB3 PRO 79 HB2 PRO 79 3.779 2.275 8.246 627 HG2 PRO 79 HG1 PRO 79 6.140 4.049 8.822 628 HG3 PRO 79 HG2 PRO 79 6.062 2.251 8.815 629 HD2 PRO 79 HD1 PRO 79 7.090 3.594 6.708 630 HD3 PRO 79 HD2 PRO 79 6.016 2.187 6.436 631 H GLY 80 H GLY 80 5.114 6.001 8.227 632 HA2 GLY 80 HA3 GLY 80 2.920 7.898 8.468 633 HA3 GLY 80 HA2 GLY 80 4.629 8.165 8.881 634 H GLY 81 H GLY 81 2.880 7.329 5.934 635 HA2 GLY 81 HA3 GLY 81 3.686 9.657 4.352 636 HA3 GLY 81 HA2 GLY 81 4.475 8.122 3.923 637 H TYR 82 H TYR 82 3.152 6.329 3.382 638 HA TYR 82 HA TYR 82 0.351 6.626 2.584 639 HB2 TYR 82 HB1 TYR 82 2.503 6.060 0.522 640 HB3 TYR 82 HB2 TYR 82 0.752 6.020 0.262 641 HD1 TYR 82 HD2 TYR 82 -0.566 8.183 0.328 642 HD2 TYR 82 HD1 TYR 82 3.740 8.095 0.466 643 HE1 TYR 82 HE2 TYR 82 -0.501 10.622 -0.176 644 HE2 TYR 82 HE1 TYR 82 3.817 10.520 -0.031 645 HH TYR 82 HH TYR 82 2.594 12.411 -0.443 646 H HIS 83 H HIS 83 -0.628 4.545 2.448 647 HA HIS 83 HA HIS 83 0.962 2.103 2.545 648 HB2 HIS 83 HB1 HIS 83 0.412 1.428 4.782 649 HB3 HIS 83 HB2 HIS 83 1.317 2.937 4.850 650 HD1 HIS 83 HD1 HIS 83 0.005 5.030 6.013 651 HD2 HIS 83 HD2 HIS 83 -2.188 1.464 5.515 652 HE1 HIS 83 HE1 HIS 83 -2.140 5.314 7.329 653 H PHE 84 H PHE 84 -0.521 0.151 2.934 654 HA PHE 84 HA PHE 84 -3.242 0.691 1.799 655 HB2 PHE 84 HB1 PHE 84 -1.263 -1.559 1.565 656 HB3 PHE 84 HB2 PHE 84 -2.992 -1.899 1.404 657 HD1 PHE 84 HD2 PHE 84 -4.130 0.134 -0.233 658 HD2 PHE 84 HD1 PHE 84 -0.208 -1.636 -0.503 659 HE1 PHE 84 HE2 PHE 84 -4.178 0.391 -2.687 660 HE2 PHE 84 HE1 PHE 84 -0.218 -1.253 -2.959 661 HZ PHE 84 HZ PHE 84 -2.200 -0.217 -4.049 662 H MET 85 H MET 85 -4.846 0.476 3.138 663 HA MET 85 HA MET 85 -4.633 -1.036 5.702 664 HB2 MET 85 HB1 MET 85 -6.447 1.039 4.561 665 HB3 MET 85 HB2 MET 85 -7.202 -0.164 5.640 666 HG2 MET 85 HG1 MET 85 -4.763 1.468 6.383 667 HG3 MET 85 HG2 MET 85 -6.443 1.906 6.785 668 HE1 MET 85 HE1 MET 85 -3.495 -0.658 7.402 669 HE2 MET 85 HE2 MET 85 -3.413 0.861 8.322 670 HE3 MET 85 HE3 MET 85 -3.670 -0.693 9.163 671 H LEU 86 H LEU 86 -5.114 -3.110 5.790 672 HA LEU 86 HA LEU 86 -6.644 -4.416 3.582 673 HB2 LEU 86 HB1 LEU 86 -5.146 -5.641 5.932 674 HB3 LEU 86 HB2 LEU 86 -5.781 -6.502 4.519 675 HG LEU 86 HG LEU 86 -3.428 -4.569 4.596 676 HD11 LEU 86 HD11 LEU 86 -2.141 -6.589 3.991 677 HD12 LEU 86 HD12 LEU 86 -3.610 -7.574 4.099 678 HD13 LEU 86 HD13 LEU 86 -2.954 -6.779 5.551 679 HD21 LEU 86 HD21 LEU 86 -4.655 -6.038 2.221 680 HD22 LEU 86 HD22 LEU 86 -3.072 -5.226 2.210 681 HD23 LEU 86 HD23 LEU 86 -4.536 -4.277 2.469 682 H LEU 87 H LEU 87 -8.690 -5.273 3.913 683 HA LEU 87 HA LEU 87 -9.681 -5.559 6.713 684 HB2 LEU 87 HB1 LEU 87 -10.456 -3.574 4.674 685 HB3 LEU 87 HB2 LEU 87 -11.848 -4.474 5.295 686 HG LEU 87 HG LEU 87 -9.819 -3.270 7.208 687 HD11 LEU 87 HD11 LEU 87 -11.147 -1.227 7.342 688 HD12 LEU 87 HD12 LEU 87 -12.213 -1.806 6.044 689 HD13 LEU 87 HD13 LEU 87 -10.508 -1.431 5.705 690 HD21 LEU 87 HD21 LEU 87 -11.796 -3.234 8.706 691 HD22 LEU 87 HD22 LEU 87 -11.545 -4.868 8.065 692 HD23 LEU 87 HD23 LEU 87 -12.820 -3.838 7.382 693 H GLY 88 H GLY 88 -10.838 -7.279 7.118 694 HA2 GLY 88 HA3 GLY 88 -12.412 -8.993 6.759 695 HA3 GLY 88 HA2 GLY 88 -12.292 -8.749 5.002 696 H LEU 89 H LEU 89 -9.957 -9.548 7.643 697 HA LEU 89 HA LEU 89 -8.188 -10.824 5.887 698 HB2 LEU 89 HB1 LEU 89 -8.367 -11.180 8.877 699 HB3 LEU 89 HB2 LEU 89 -6.967 -11.578 7.853 700 HG LEU 89 HG LEU 89 -8.072 -8.826 8.510 701 HD11 LEU 89 HD11 LEU 89 -6.717 -9.973 10.248 702 HD12 LEU 89 HD12 LEU 89 -5.913 -8.531 9.616 703 HD13 LEU 89 HD13 LEU 89 -5.388 -10.147 9.083 704 HD21 LEU 89 HD21 LEU 89 -6.171 -7.891 7.216 705 HD22 LEU 89 HD22 LEU 89 -7.321 -8.730 6.175 706 HD23 LEU 89 HD23 LEU 89 -5.786 -9.520 6.612 707 H LYS 90 H LYS 90 -8.369 -12.678 4.787 708 HA LYS 90 HA LYS 90 -10.228 -14.761 5.752 709 HB2 LYS 90 HB1 LYS 90 -8.498 -14.857 3.277 710 HB3 LYS 90 HB2 LYS 90 -9.918 -15.859 3.671 711 HG2 LYS 90 HG1 LYS 90 -11.217 -13.590 3.649 712 HG3 LYS 90 HG2 LYS 90 -9.790 -12.975 2.783 713 HD2 LYS 90 HD1 LYS 90 -10.108 -15.148 1.317 714 HD3 LYS 90 HD2 LYS 90 -11.752 -15.154 1.970 715 HE2 LYS 90 HE1 LYS 90 -10.413 -13.056 0.232 716 HE3 LYS 90 HE2 LYS 90 -11.798 -14.077 -0.185 717 HZ1 LYS 90 HZ1 LYS 90 -12.586 -11.903 0.348 718 HZ2 LYS 90 HZ2 LYS 90 -11.726 -11.829 1.725 719 HZ3 LYS 90 HZ3 LYS 90 -13.062 -12.789 1.575 720 H ARG 91 H ARG 91 -6.861 -14.260 6.154 721 HA ARG 91 HA ARG 91 -6.612 -16.915 7.332 722 HB2 ARG 91 HB1 ARG 91 -4.503 -17.479 6.241 723 HB3 ARG 91 HB2 ARG 91 -5.840 -17.408 5.081 724 HG2 ARG 91 HG1 ARG 91 -5.048 -15.278 4.227 725 HG3 ARG 91 HG2 ARG 91 -3.806 -15.190 5.510 726 HD2 ARG 91 HD1 ARG 91 -2.534 -15.842 3.739 727 HD3 ARG 91 HD2 ARG 91 -2.897 -17.401 4.472 728 HE ARG 91 HE ARG 91 -4.830 -17.377 2.664 729 HH11 ARG 91 HH12 ARG 91 -1.531 -16.066 2.055 730 HH12 ARG 91 HH11 ARG 91 -1.873 -15.981 0.357 731 HH21 ARG 91 HH22 ARG 91 -4.957 -17.401 0.360 732 HH22 ARG 91 HH21 ARG 91 -3.568 -16.861 -0.551 733 HA PRO 92 HA PRO 92 -4.152 -14.336 10.110 734 HB2 PRO 92 HB1 PRO 92 -3.124 -16.213 11.783 735 HB3 PRO 92 HB2 PRO 92 -4.860 -15.778 11.801 736 HG2 PRO 92 HG1 PRO 92 -3.542 -18.131 10.420 737 HG3 PRO 92 HG2 PRO 92 -5.026 -18.128 11.438 738 HD2 PRO 92 HD1 PRO 92 -5.079 -18.046 8.679 739 HD3 PRO 92 HD2 PRO 92 -6.320 -17.254 9.691 740 H LEU 93 H LEU 93 -2.111 -13.557 9.880 741 HA LEU 93 HA LEU 93 -0.392 -14.853 7.884 742 HB2 LEU 93 HB1 LEU 93 -0.980 -12.137 8.884 743 HB3 LEU 93 HB2 LEU 93 0.733 -12.409 8.487 744 HG LEU 93 HG LEU 93 0.141 -13.132 6.235 745 HD11 LEU 93 HD11 LEU 93 -2.147 -12.892 5.350 746 HD12 LEU 93 HD12 LEU 93 -2.750 -12.549 6.987 747 HD13 LEU 93 HD13 LEU 93 -2.055 -14.140 6.597 748 HD21 LEU 93 HD21 LEU 93 0.563 -10.748 6.652 749 HD22 LEU 93 HD22 LEU 93 -1.159 -10.484 7.008 750 HD23 LEU 93 HD23 LEU 93 -0.650 -10.956 5.375 751 H LYS 94 H LYS 94 0.523 -16.609 8.959 752 HA LYS 94 HA LYS 94 2.194 -16.352 11.270 753 HB2 LYS 94 HB1 LYS 94 2.105 -18.169 8.861 754 HB3 LYS 94 HB2 LYS 94 3.460 -18.272 10.008 755 HG2 LYS 94 HG1 LYS 94 1.605 -18.512 11.816 756 HG3 LYS 94 HG2 LYS 94 0.517 -18.870 10.468 757 HD2 LYS 94 HD1 LYS 94 3.176 -20.274 11.017 758 HD3 LYS 94 HD2 LYS 94 1.564 -20.884 11.489 759 HE2 LYS 94 HE1 LYS 94 1.840 -22.071 9.551 760 HE3 LYS 94 HE2 LYS 94 1.097 -20.603 8.877 761 HZ1 LYS 94 HZ1 LYS 94 3.424 -19.840 8.390 762 HZ2 LYS 94 HZ2 LYS 94 2.908 -21.009 7.523 763 HZ3 LYS 94 HZ3 LYS 94 3.974 -21.349 8.761 764 H ALA 95 H ALA 95 4.392 -16.078 11.541 765 HA ALA 95 HA ALA 95 5.789 -14.391 9.588 766 HB1 ALA 95 HB1 ALA 95 7.714 -14.656 11.131 767 HB2 ALA 95 HB2 ALA 95 6.253 -14.165 12.009 768 HB3 ALA 95 HB3 ALA 95 6.809 -15.859 12.072 769 H GLY 96 H GLY 96 6.462 -15.105 7.755 770 HA2 GLY 96 HA3 GLY 96 8.270 -16.540 6.766 771 HA3 GLY 96 HA2 GLY 96 7.387 -17.916 7.465 772 H GLU 97 H GLU 97 4.794 -16.159 6.383 773 HA GLU 97 HA GLU 97 4.780 -17.774 3.935 774 HB2 GLU 97 HB1 GLU 97 2.547 -15.910 4.302 775 HB3 GLU 97 HB2 GLU 97 2.559 -17.605 3.795 776 HG2 GLU 97 HG1 GLU 97 2.648 -16.515 6.612 777 HG3 GLU 97 HG2 GLU 97 1.291 -17.320 5.792 778 H GLU 98 H GLU 98 3.654 -16.806 1.993 779 HA GLU 98 HA GLU 98 4.596 -14.080 1.256 780 HB2 GLU 98 HB1 GLU 98 3.713 -16.393 -0.512 781 HB3 GLU 98 HB2 GLU 98 4.004 -14.726 -1.081 782 HG2 GLU 98 HG1 GLU 98 6.366 -14.922 -0.301 783 HG3 GLU 98 HG2 GLU 98 6.070 -16.629 0.077 784 H VAL 99 H VAL 99 3.015 -12.809 0.142 785 HA VAL 99 HA VAL 99 0.124 -13.530 0.500 786 HB VAL 99 HB VAL 99 1.471 -10.835 0.992 787 HG11 VAL 99 HG11 VAL 99 -1.483 -11.523 0.732 788 HG12 VAL 99 HG12 VAL 99 -0.903 -10.053 1.526 789 HG13 VAL 99 HG13 VAL 99 -0.576 -10.309 -0.187 790 HG21 VAL 99 HG21 VAL 99 -0.110 -12.712 2.809 791 HG22 VAL 99 HG22 VAL 99 1.617 -12.330 2.902 792 HG23 VAL 99 HG23 VAL 99 0.422 -11.080 3.250 793 H GLU 100 H GLU 100 -0.911 -13.528 -1.335 794 HA GLU 100 HA GLU 100 0.258 -12.557 -3.838 795 HB2 GLU 100 HB1 GLU 100 -2.596 -13.464 -3.527 796 HB3 GLU 100 HB2 GLU 100 -1.480 -13.669 -4.898 797 HG2 GLU 100 HG1 GLU 100 -1.634 -15.828 -4.186 798 HG3 GLU 100 HG2 GLU 100 -0.255 -15.336 -3.209 799 H LEU 101 H LEU 101 -0.289 -10.569 -4.891 800 HA LEU 101 HA LEU 101 -2.784 -9.250 -4.146 801 HB2 LEU 101 HB1 LEU 101 -1.094 -8.692 -2.426 802 HB3 LEU 101 HB2 LEU 101 -0.160 -7.842 -3.650 803 HG LEU 101 HG LEU 101 -2.971 -7.094 -2.842 804 HD11 LEU 101 HD11 LEU 101 -1.941 -5.355 -1.428 805 HD12 LEU 101 HD12 LEU 101 -0.324 -5.988 -1.814 806 HD13 LEU 101 HD13 LEU 101 -1.481 -6.975 -0.890 807 HD21 LEU 101 HD21 LEU 101 -1.741 -4.797 -3.722 808 HD22 LEU 101 HD22 LEU 101 -2.694 -5.866 -4.756 809 HD23 LEU 101 HD23 LEU 101 -0.918 -5.977 -4.734 810 H ASP 102 H ASP 102 -3.715 -8.263 -5.638 811 HA ASP 102 HA ASP 102 -2.655 -7.721 -8.337 812 HB2 ASP 102 HB1 ASP 102 -5.330 -7.749 -6.920 813 HB3 ASP 102 HB2 ASP 102 -5.168 -7.084 -8.540 814 H LEU 103 H LEU 103 -1.400 -5.770 -8.257 815 HA LEU 103 HA LEU 103 -2.390 -3.425 -6.774 816 HB2 LEU 103 HB1 LEU 103 -0.133 -3.813 -8.776 817 HB3 LEU 103 HB2 LEU 103 -0.473 -2.279 -7.955 818 HG LEU 103 HG LEU 103 0.232 -4.863 -6.502 819 HD11 LEU 103 HD11 LEU 103 2.034 -2.537 -7.289 820 HD12 LEU 103 HD12 LEU 103 2.073 -4.167 -7.996 821 HD13 LEU 103 HD13 LEU 103 2.502 -3.935 -6.296 822 HD21 LEU 103 HD21 LEU 103 -0.970 -3.109 -5.141 823 HD22 LEU 103 HD22 LEU 103 0.299 -1.949 -5.570 824 HD23 LEU 103 HD23 LEU 103 0.687 -3.385 -4.597 825 H LEU 104 H LEU 104 -3.959 -2.114 -7.499 826 HA LEU 104 HA LEU 104 -5.015 -2.605 -10.212 827 HB2 LEU 104 HB1 LEU 104 -6.142 -0.904 -7.965 828 HB3 LEU 104 HB2 LEU 104 -7.005 -1.522 -9.382 829 HG LEU 104 HG LEU 104 -6.006 -3.070 -7.031 830 HD11 LEU 104 HD11 LEU 104 -8.052 -1.773 -6.626 831 HD12 LEU 104 HD12 LEU 104 -8.405 -3.509 -6.620 832 HD13 LEU 104 HD13 LEU 104 -8.826 -2.525 -8.038 833 HD21 LEU 104 HD21 LEU 104 -7.140 -5.068 -8.056 834 HD22 LEU 104 HD22 LEU 104 -5.760 -4.516 -9.007 835 HD23 LEU 104 HD23 LEU 104 -7.409 -4.120 -9.536 836 H PHE 105 H PHE 105 -4.747 -1.200 -11.900 837 HA PHE 105 HA PHE 105 -3.896 1.609 -11.250 838 HB2 PHE 105 HB1 PHE 105 -2.926 -0.246 -13.420 839 HB3 PHE 105 HB2 PHE 105 -2.628 1.496 -13.439 840 HD1 PHE 105 HD1 PHE 105 -1.843 -1.707 -11.778 841 HD2 PHE 105 HD2 PHE 105 -0.966 2.504 -12.034 842 HE1 PHE 105 HE1 PHE 105 0.260 -2.054 -10.493 843 HE2 PHE 105 HE2 PHE 105 1.170 2.146 -10.860 844 HZ PHE 105 HZ PHE 105 1.775 -0.151 -10.057 845 H ALA 106 H ALA 106 -4.946 3.137 -12.051 846 HA ALA 106 HA ALA 106 -6.559 4.396 -13.134 847 HB1 ALA 106 HB1 ALA 106 -4.448 4.397 -14.462 848 HB2 ALA 106 HB2 ALA 106 -5.095 3.069 -15.455 849 HB3 ALA 106 HB3 ALA 106 -5.881 4.659 -15.473 850 H GLY 107 H GLY 107 -7.672 1.684 -12.526 851 HA2 GLY 107 HA3 GLY 107 -9.590 0.472 -12.933 852 HA3 GLY 107 HA2 GLY 107 -10.007 1.577 -14.263 853 H GLY 108 H GLY 108 -8.085 1.388 -16.033 854 HA2 GLY 108 HA3 GLY 108 -8.634 -1.201 -17.213 855 HA3 GLY 108 HA2 GLY 108 -7.915 0.219 -18.006 856 H LYS 109 H LYS 109 -6.148 -0.841 -15.187 857 HA LYS 109 HA LYS 109 -4.654 -3.001 -16.512 858 HB2 LYS 109 HB1 LYS 109 -3.606 -0.326 -15.844 859 HB3 LYS 109 HB2 LYS 109 -2.749 -1.660 -14.999 860 HG2 LYS 109 HG1 LYS 109 -1.493 -1.090 -16.858 861 HG3 LYS 109 HG2 LYS 109 -2.187 -2.692 -17.115 862 HD2 LYS 109 HD1 LYS 109 -2.113 -1.313 -19.158 863 HD3 LYS 109 HD2 LYS 109 -3.754 -1.786 -18.719 864 HE2 LYS 109 HE1 LYS 109 -3.681 0.597 -17.457 865 HE3 LYS 109 HE2 LYS 109 -2.385 0.922 -18.618 866 HZ1 LYS 109 HZ1 LYS 109 -4.630 1.582 -19.408 867 HZ2 LYS 109 HZ2 LYS 109 -5.124 0.009 -19.318 868 HZ3 LYS 109 HZ3 LYS 109 -3.956 0.447 -20.387 869 H VAL 110 H VAL 110 -3.713 -4.448 -14.987 870 HA VAL 110 HA VAL 110 -3.602 -3.721 -12.189 871 HB VAL 110 HB VAL 110 -5.670 -4.913 -12.238 872 HG11 VAL 110 HG11 VAL 110 -5.528 -6.106 -14.366 873 HG12 VAL 110 HG12 VAL 110 -4.305 -7.210 -13.691 874 HG13 VAL 110 HG13 VAL 110 -5.961 -7.208 -13.059 875 HG21 VAL 110 HG21 VAL 110 -3.549 -6.886 -11.258 876 HG22 VAL 110 HG22 VAL 110 -4.137 -5.482 -10.346 877 HG23 VAL 110 HG23 VAL 110 -5.246 -6.803 -10.756 878 H LEU 111 H LEU 111 -1.757 -4.600 -11.233 879 HA LEU 111 HA LEU 111 -0.039 -6.425 -12.883 880 HB2 LEU 111 HB1 LEU 111 0.870 -4.167 -11.069 881 HB3 LEU 111 HB2 LEU 111 1.928 -5.327 -11.896 882 HG LEU 111 HG LEU 111 0.186 -3.195 -13.212 883 HD11 LEU 111 HD11 LEU 111 2.316 -2.118 -13.771 884 HD12 LEU 111 HD12 LEU 111 3.219 -3.423 -12.970 885 HD13 LEU 111 HD13 LEU 111 2.200 -2.332 -12.016 886 HD21 LEU 111 HD21 LEU 111 0.389 -5.137 -14.726 887 HD22 LEU 111 HD22 LEU 111 2.146 -5.171 -14.475 888 HD23 LEU 111 HD23 LEU 111 1.383 -3.802 -15.311 889 H LYS 112 H LYS 112 -0.345 -8.342 -11.899 890 HA LYS 112 HA LYS 112 -0.752 -8.474 -9.008 891 HB2 LYS 112 HB1 LYS 112 -1.080 -10.819 -9.305 892 HB3 LYS 112 HB2 LYS 112 -2.000 -9.897 -10.521 893 HG2 LYS 112 HG1 LYS 112 -0.128 -10.413 -12.158 894 HG3 LYS 112 HG2 LYS 112 0.535 -11.523 -10.934 895 HD2 LYS 112 HD1 LYS 112 -1.558 -12.818 -10.938 896 HD3 LYS 112 HD2 LYS 112 -2.291 -11.661 -12.079 897 HE2 LYS 112 HE1 LYS 112 -0.516 -12.225 -13.740 898 HE3 LYS 112 HE2 LYS 112 0.174 -13.394 -12.597 899 HZ1 LYS 112 HZ1 LYS 112 -1.945 -14.582 -12.704 900 HZ2 LYS 112 HZ2 LYS 112 -1.276 -14.461 -14.203 901 HZ3 LYS 112 HZ3 LYS 112 -2.542 -13.498 -13.786 902 H VAL 113 H VAL 113 0.691 -8.750 -7.496 903 HA VAL 113 HA VAL 113 3.451 -9.738 -8.111 904 HB VAL 113 HB VAL 113 4.378 -8.132 -6.533 905 HG11 VAL 113 HG11 VAL 113 4.305 -7.552 -8.937 906 HG12 VAL 113 HG12 VAL 113 2.777 -6.681 -8.681 907 HG13 VAL 113 HG13 VAL 113 4.264 -6.120 -7.893 908 HG21 VAL 113 HG21 VAL 113 2.422 -7.717 -5.066 909 HG22 VAL 113 HG22 VAL 113 3.114 -6.211 -5.669 910 HG23 VAL 113 HG23 VAL 113 1.616 -6.840 -6.385 911 H VAL 114 H VAL 114 4.608 -10.484 -6.093 912 HA VAL 114 HA VAL 114 2.839 -11.496 -3.987 913 HB VAL 114 HB VAL 114 4.738 -12.951 -3.393 914 HG11 VAL 114 HG11 VAL 114 2.635 -13.811 -4.369 915 HG12 VAL 114 HG12 VAL 114 3.262 -13.516 -6.006 916 HG13 VAL 114 HG13 VAL 114 4.024 -14.738 -4.964 917 HG21 VAL 114 HG21 VAL 114 5.533 -12.403 -6.252 918 HG22 VAL 114 HG22 VAL 114 6.400 -11.843 -4.803 919 HG23 VAL 114 HG23 VAL 114 6.299 -13.587 -5.158 920 H LEU 115 H LEU 115 3.634 -11.205 -1.865 921 HA LEU 115 HA LEU 115 5.999 -9.472 -1.380 922 HB2 LEU 115 HB1 LEU 115 3.185 -9.066 -0.262 923 HB3 LEU 115 HB2 LEU 115 4.626 -8.241 0.360 924 HG LEU 115 HG LEU 115 3.443 -7.887 -2.430 925 HD11 LEU 115 HD11 LEU 115 1.995 -6.973 -0.658 926 HD12 LEU 115 HD12 LEU 115 2.752 -5.668 -1.584 927 HD13 LEU 115 HD13 LEU 115 3.371 -6.080 0.029 928 HD21 LEU 115 HD21 LEU 115 4.981 -5.908 -2.529 929 HD22 LEU 115 HD22 LEU 115 5.859 -7.438 -2.459 930 HD23 LEU 115 HD23 LEU 115 5.718 -6.441 -1.001 931 HA PRO 116 HA PRO 116 6.282 -12.573 1.914 932 HB2 PRO 116 HB1 PRO 116 8.251 -11.562 3.480 933 HB3 PRO 116 HB2 PRO 116 8.566 -12.127 1.811 934 HG2 PRO 116 HG1 PRO 116 8.057 -9.282 2.737 935 HG3 PRO 116 HG2 PRO 116 9.397 -9.877 1.694 936 HD2 PRO 116 HD1 PRO 116 7.119 -8.774 0.652 937 HD3 PRO 116 HD2 PRO 116 7.963 -10.130 -0.154 938 H VAL 117 H VAL 117 5.544 -12.988 4.032 939 HA VAL 117 HA VAL 117 4.109 -10.884 5.451 940 HB VAL 117 HB VAL 117 4.644 -13.796 6.185 941 HG11 VAL 117 HG11 VAL 117 4.230 -12.600 8.211 942 HG12 VAL 117 HG12 VAL 117 2.967 -11.596 7.448 943 HG13 VAL 117 HG13 VAL 117 2.678 -13.318 7.750 944 HG21 VAL 117 HG21 VAL 117 2.162 -12.354 5.125 945 HG22 VAL 117 HG22 VAL 117 3.154 -13.491 4.187 946 HG23 VAL 117 HG23 VAL 117 2.242 -14.064 5.589 947 H GLU 118 H GLU 118 4.604 -9.969 7.373 948 HA GLU 118 HA GLU 118 7.262 -10.181 8.645 949 HB2 GLU 118 HB1 GLU 118 6.503 -8.396 6.481 950 HB3 GLU 118 HB2 GLU 118 6.836 -7.438 7.923 951 HG2 GLU 118 HG1 GLU 118 8.803 -9.585 7.168 952 HG3 GLU 118 HG2 GLU 118 8.720 -8.106 6.166 953 H ALA 119 H ALA 119 7.450 -8.368 10.340 954 HA ALA 119 HA ALA 119 4.845 -8.303 11.857 955 HB1 ALA 119 HB1 ALA 119 6.169 -8.865 13.850 956 HB2 ALA 119 HB2 ALA 119 6.398 -10.092 12.586 957 HB3 ALA 119 HB3 ALA 119 7.659 -8.869 12.882 958 H ARG 120 H ARG 120 5.996 -6.175 10.230 959 HA ARG 120 HA ARG 120 6.627 -4.075 12.291 960 HB2 ARG 120 HB1 ARG 120 7.776 -4.442 9.500 961 HB3 ARG 120 HB2 ARG 120 8.033 -3.006 10.528 962 HG2 ARG 120 HG1 ARG 120 9.038 -4.483 12.268 963 HG3 ARG 120 HG2 ARG 120 8.889 -5.867 11.172 964 HD2 ARG 120 HD1 ARG 120 10.537 -3.350 10.685 965 HD3 ARG 120 HD2 ARG 120 11.155 -4.964 11.130 966 HE ARG 120 HE ARG 120 10.472 -5.805 8.963 967 HH11 ARG 120 HH12 ARG 120 10.109 -2.347 9.099 968 HH12 ARG 120 HH11 ARG 120 9.943 -2.240 7.351 969 HH21 ARG 120 HH22 ARG 120 10.389 -5.604 6.934 970 HH22 ARG 120 HH21 ARG 120 10.063 -4.085 6.089 Start of MODEL 31 1 H1 GLY 1 1H GLY 1 13.935 -10.055 -6.551 2 H2 GLY 1 2H GLY 1 14.436 -10.162 -8.101 3 H3 GLY 1 3H GLY 1 15.109 -11.151 -6.955 4 HA2 GLY 1 HA3 GLY 1 13.540 -12.415 -8.281 5 HA3 GLY 1 HA2 GLY 1 12.939 -12.230 -6.618 6 H SER 2 H SER 2 10.887 -11.287 -6.379 7 HA SER 2 HA SER 2 10.106 -8.990 -8.023 8 HB2 SER 2 HB1 SER 2 9.072 -8.386 -5.733 9 HB3 SER 2 HB2 SER 2 8.396 -9.797 -6.599 10 HG SER 2 HG SER 2 8.781 -10.230 -4.381 11 H PHE 3 H PHE 3 10.640 -6.792 -7.289 12 HA PHE 3 HA PHE 3 13.160 -6.560 -5.700 13 HB2 PHE 3 HB1 PHE 3 12.556 -5.470 -8.463 14 HB3 PHE 3 HB2 PHE 3 13.902 -4.900 -7.452 15 HD1 PHE 3 HD2 PHE 3 15.662 -6.578 -6.689 16 HD2 PHE 3 HD1 PHE 3 12.866 -7.383 -9.869 17 HE1 PHE 3 HE2 PHE 3 17.199 -8.296 -7.604 18 HE2 PHE 3 HE1 PHE 3 14.397 -9.101 -10.782 19 HZ PHE 3 HZ PHE 3 16.585 -9.545 -9.674 20 H THR 4 H THR 4 10.078 -5.773 -5.556 21 HA THR 4 HA THR 4 10.025 -2.975 -4.833 22 HB THR 4 HB THR 4 7.886 -3.802 -3.662 23 HG1 THR 4 HG1 THR 4 8.749 -5.914 -3.437 24 HG21 THR 4 HG21 THR 4 7.732 -2.900 -5.912 25 HG22 THR 4 HG22 THR 4 6.658 -4.292 -5.743 26 HG23 THR 4 HG23 THR 4 8.197 -4.456 -6.626 27 H GLU 5 H GLU 5 10.856 -2.136 -2.996 28 HA GLU 5 HA GLU 5 11.675 -3.691 -0.729 29 HB2 GLU 5 HB1 GLU 5 11.155 -0.712 -0.743 30 HB3 GLU 5 HB2 GLU 5 12.268 -1.646 0.293 31 HG2 GLU 5 HG1 GLU 5 13.770 -0.704 -1.143 32 HG3 GLU 5 HG2 GLU 5 13.447 -2.194 -2.028 33 H GLY 6 H GLY 6 9.169 -4.616 -1.024 34 HA2 GLY 6 HA3 GLY 6 7.470 -3.247 1.015 35 HA3 GLY 6 HA2 GLY 6 6.824 -3.991 -0.466 36 H TRP 7 H TRP 7 6.065 -4.459 2.245 37 HA TRP 7 HA TRP 7 6.235 -7.347 2.353 38 HB2 TRP 7 HB1 TRP 7 7.302 -7.615 4.410 39 HB3 TRP 7 HB2 TRP 7 8.351 -6.535 3.504 40 HD1 TRP 7 HD TRP 7 6.448 -6.872 6.693 41 HE1 TRP 7 HE1 TRP 7 6.739 -4.851 8.199 42 HE3 TRP 7 3HE TRP 7 8.592 -3.689 3.289 43 HZ2 TRP 7 HZ2 TRP 7 7.710 -2.130 7.937 44 HZ3 TRP 7 HZ3 TRP 7 9.117 -1.361 3.928 45 HH2 TRP 7 HH TRP 7 8.695 -0.567 6.248 46 H VAL 8 H VAL 8 4.899 -8.227 4.106 47 HA VAL 8 HA VAL 8 2.587 -6.385 4.703 48 HB VAL 8 HB VAL 8 2.522 -9.303 3.904 49 HG11 VAL 8 HG11 VAL 8 0.256 -7.406 4.653 50 HG12 VAL 8 HG12 VAL 8 0.045 -9.029 3.970 51 HG13 VAL 8 HG13 VAL 8 0.766 -8.848 5.570 52 HG21 VAL 8 HG21 VAL 8 1.707 -6.703 2.525 53 HG22 VAL 8 HG22 VAL 8 2.881 -7.908 1.956 54 HG23 VAL 8 HG23 VAL 8 1.154 -8.282 1.978 55 H ARG 9 H ARG 9 2.192 -6.040 6.689 56 HA ARG 9 HA ARG 9 3.624 -7.064 8.822 57 HB2 ARG 9 HB1 ARG 9 2.259 -5.772 10.214 58 HB3 ARG 9 HB2 ARG 9 2.412 -4.898 8.685 59 HG2 ARG 9 HG1 ARG 9 -0.009 -6.420 9.700 60 HG3 ARG 9 HG2 ARG 9 0.228 -4.644 9.599 61 HD2 ARG 9 HD1 ARG 9 -1.119 -4.947 7.792 62 HD3 ARG 9 HD2 ARG 9 0.459 -5.157 7.011 63 HE ARG 9 HE ARG 9 0.040 -7.645 7.479 64 HH11 ARG 9 HH12 ARG 9 -2.729 -5.503 6.794 65 HH12 ARG 9 HH11 ARG 9 -3.676 -6.834 6.223 66 HH21 ARG 9 HH22 ARG 9 -1.119 -9.195 6.631 67 HH22 ARG 9 HH21 ARG 9 -2.782 -8.951 6.141 68 H PHE 10 H PHE 10 3.349 -8.505 10.453 69 HA PHE 10 HA PHE 10 0.976 -10.308 10.486 70 HB2 PHE 10 HB1 PHE 10 3.015 -11.518 10.597 71 HB3 PHE 10 HB2 PHE 10 3.719 -10.334 11.728 72 HD1 PHE 10 HD1 PHE 10 0.409 -12.120 11.972 73 HD2 PHE 10 HD2 PHE 10 4.371 -11.565 13.584 74 HE1 PHE 10 HE1 PHE 10 -0.254 -13.323 14.015 75 HE2 PHE 10 HE2 PHE 10 3.736 -12.875 15.576 76 HZ PHE 10 HZ PHE 10 1.400 -13.707 15.832 77 H SER 11 H SER 11 -0.604 -10.044 12.097 78 HA SER 11 HA SER 11 0.128 -9.142 14.710 79 HB2 SER 11 HB1 SER 11 -1.357 -7.343 12.798 80 HB3 SER 11 HB2 SER 11 -1.923 -7.415 14.481 81 HG SER 11 HG SER 11 0.790 -6.943 13.754 82 HA PRO 12 HA PRO 12 -3.512 -11.678 15.413 83 HB2 PRO 12 HB1 PRO 12 -3.963 -11.344 18.045 84 HB3 PRO 12 HB2 PRO 12 -2.398 -12.000 17.465 85 HG2 PRO 12 HG1 PRO 12 -3.036 -9.124 18.206 86 HG3 PRO 12 HG2 PRO 12 -1.664 -10.136 18.789 87 HD2 PRO 12 HD1 PRO 12 -1.453 -8.388 16.662 88 HD3 PRO 12 HD2 PRO 12 -0.525 -9.913 16.760 89 H GLY 13 H GLY 13 -4.413 -9.773 13.847 90 HA2 GLY 13 HA3 GLY 13 -6.895 -8.782 15.117 91 HA3 GLY 13 HA2 GLY 13 -5.819 -7.586 14.357 92 HA PRO 14 HA PRO 14 -8.636 -9.722 11.159 93 HB2 PRO 14 HB1 PRO 14 -10.878 -8.205 11.057 94 HB3 PRO 14 HB2 PRO 14 -10.653 -9.460 12.315 95 HG2 PRO 14 HG1 PRO 14 -10.118 -6.484 12.554 96 HG3 PRO 14 HG2 PRO 14 -11.075 -7.527 13.666 97 HD2 PRO 14 HD1 PRO 14 -8.433 -6.910 14.114 98 HD3 PRO 14 HD2 PRO 14 -9.131 -8.490 14.566 99 H ASN 15 H ASN 15 -7.180 -6.668 11.643 100 HA ASN 15 HA ASN 15 -6.905 -6.164 8.802 101 HB2 ASN 15 HB1 ASN 15 -7.887 -3.967 8.866 102 HB3 ASN 15 HB2 ASN 15 -9.090 -5.144 9.420 103 HD21 ASN 15 HD21 ASN 15 -8.230 -2.063 9.943 104 HD22 ASN 15 HD22 ASN 15 -8.594 -1.981 11.657 105 H ALA 16 H ALA 16 -5.320 -4.573 8.303 106 HA ALA 16 HA ALA 16 -4.040 -2.842 10.075 107 HB1 ALA 16 HB1 ALA 16 -3.044 -4.712 11.282 108 HB2 ALA 16 HB2 ALA 16 -2.479 -5.443 9.774 109 HB3 ALA 16 HB3 ALA 16 -1.789 -3.912 10.368 110 H ALA 17 H ALA 17 -2.121 -1.786 9.173 111 HA ALA 17 HA ALA 17 -2.397 -1.222 6.362 112 HB1 ALA 17 HB1 ALA 17 -1.871 0.547 8.010 113 HB2 ALA 17 HB2 ALA 17 -0.417 -0.331 8.508 114 HB3 ALA 17 HB3 ALA 17 -0.516 0.368 6.890 115 H ALA 18 H ALA 18 -1.215 -1.929 4.661 116 HA ALA 18 HA ALA 18 1.354 -3.408 5.133 117 HB1 ALA 18 HB1 ALA 18 -0.755 -3.843 2.968 118 HB2 ALA 18 HB2 ALA 18 0.806 -4.677 3.067 119 HB3 ALA 18 HB3 ALA 18 -0.414 -4.930 4.333 120 H TYR 19 H TYR 19 2.989 -3.161 3.480 121 HA TYR 19 HA TYR 19 2.987 -0.384 2.361 122 HB2 TYR 19 HB1 TYR 19 5.440 -1.239 3.706 123 HB3 TYR 19 HB2 TYR 19 4.551 0.278 3.846 124 HD1 TYR 19 HD2 TYR 19 2.567 0.400 5.450 125 HD2 TYR 19 HD1 TYR 19 5.310 -2.917 5.357 126 HE1 TYR 19 HE2 TYR 19 1.862 -0.249 7.752 127 HE2 TYR 19 HE1 TYR 19 4.670 -3.528 7.672 128 HH TYR 19 HH TYR 19 3.518 -2.930 9.531 129 H LEU 20 H LEU 20 4.700 0.116 0.869 130 HA LEU 20 HA LEU 20 6.704 -1.654 0.047 131 HB2 LEU 20 HB1 LEU 20 6.044 -2.436 -2.102 132 HB3 LEU 20 HB2 LEU 20 4.839 -3.027 -0.976 133 HG LEU 20 HG LEU 20 4.457 -0.628 -2.821 134 HD11 LEU 20 HD11 LEU 20 4.770 -2.714 -4.095 135 HD12 LEU 20 HD12 LEU 20 3.101 -2.139 -4.205 136 HD13 LEU 20 HD13 LEU 20 3.499 -3.505 -3.138 137 HD21 LEU 20 HD21 LEU 20 2.919 -0.526 -0.901 138 HD22 LEU 20 HD22 LEU 20 2.445 -2.220 -1.163 139 HD23 LEU 20 HD23 LEU 20 2.047 -0.967 -2.362 140 H THR 21 H THR 21 8.117 -0.872 -1.540 141 HA THR 21 HA THR 21 7.644 1.841 -2.584 142 HB THR 21 HB THR 21 9.792 -0.156 -3.270 143 HG1 THR 21 HG1 THR 21 11.071 1.298 -2.143 144 HG21 THR 21 HG21 THR 21 9.616 1.282 -5.149 145 HG22 THR 21 HG22 THR 21 10.865 2.050 -4.145 146 HG23 THR 21 HG23 THR 21 9.245 2.709 -4.141 147 H LEU 22 H LEU 22 7.100 2.335 -4.599 148 HA LEU 22 HA LEU 22 6.138 0.228 -6.470 149 HB2 LEU 22 HB1 LEU 22 4.446 1.700 -5.162 150 HB3 LEU 22 HB2 LEU 22 5.029 3.059 -6.115 151 HG LEU 22 HG LEU 22 3.022 2.389 -7.101 152 HD11 LEU 22 HD11 LEU 22 4.938 2.592 -8.762 153 HD12 LEU 22 HD12 LEU 22 3.521 1.691 -9.319 154 HD13 LEU 22 HD13 LEU 22 4.972 0.815 -8.803 155 HD21 LEU 22 HD21 LEU 22 2.393 0.079 -7.612 156 HD22 LEU 22 HD22 LEU 22 2.767 0.257 -5.894 157 HD23 LEU 22 HD23 LEU 22 3.947 -0.508 -6.979 158 H GLU 23 H GLU 23 7.372 0.245 -8.186 159 HA GLU 23 HA GLU 23 8.827 2.651 -9.108 160 HB2 GLU 23 HB1 GLU 23 10.022 1.079 -10.567 161 HB3 GLU 23 HB2 GLU 23 10.223 0.767 -8.840 162 HG2 GLU 23 HG1 GLU 23 8.179 -0.803 -10.406 163 HG3 GLU 23 HG2 GLU 23 9.915 -1.190 -10.546 164 H ASN 24 H ASN 24 8.390 3.768 -10.843 165 HA ASN 24 HA ASN 24 6.606 2.619 -12.943 166 HB2 ASN 24 HB1 ASN 24 6.121 4.875 -12.048 167 HB3 ASN 24 HB2 ASN 24 7.689 5.424 -12.636 168 HD21 ASN 24 HD21 ASN 24 5.686 6.804 -13.614 169 HD22 ASN 24 HD22 ASN 24 5.338 6.307 -15.284 170 HA PRO 25 HA PRO 25 10.673 2.027 -14.948 171 HB2 PRO 25 HB1 PRO 25 10.081 -0.141 -16.487 172 HB3 PRO 25 HB2 PRO 25 10.293 -0.300 -14.718 173 HG2 PRO 25 HG1 PRO 25 7.688 0.023 -16.248 174 HG3 PRO 25 HG2 PRO 25 8.088 -1.229 -15.020 175 HD2 PRO 25 HD1 PRO 25 6.735 1.070 -14.392 176 HD3 PRO 25 HD2 PRO 25 7.899 0.320 -13.261 177 H GLY 26 H GLY 26 7.587 2.977 -16.130 178 HA2 GLY 26 HA3 GLY 26 8.306 3.068 -18.963 179 HA3 GLY 26 HA2 GLY 26 6.776 3.563 -18.206 180 H ASP 27 H ASP 27 7.660 5.074 -20.109 181 HA ASP 27 HA ASP 27 9.215 7.374 -19.142 182 HB2 ASP 27 HB1 ASP 27 8.073 6.616 -21.858 183 HB3 ASP 27 HB2 ASP 27 9.171 7.977 -21.540 184 H LEU 28 H LEU 28 5.985 6.559 -19.116 185 HA LEU 28 HA LEU 28 5.136 9.382 -18.820 186 HB2 LEU 28 HB1 LEU 28 2.939 8.819 -19.641 187 HB3 LEU 28 HB2 LEU 28 4.197 8.453 -20.847 188 HG LEU 28 HG LEU 28 3.949 5.990 -20.070 189 HD11 LEU 28 HD11 LEU 28 1.407 7.183 -18.854 190 HD12 LEU 28 HD12 LEU 28 2.631 6.197 -18.028 191 HD13 LEU 28 HD13 LEU 28 1.604 5.458 -19.243 192 HD21 LEU 28 HD21 LEU 28 2.025 5.666 -21.584 193 HD22 LEU 28 HD22 LEU 28 3.147 6.870 -22.234 194 HD23 LEU 28 HD23 LEU 28 1.631 7.396 -21.469 195 HA PRO 29 HA PRO 29 4.413 8.321 -14.737 196 HB2 PRO 29 HB1 PRO 29 2.330 9.806 -13.827 197 HB3 PRO 29 HB2 PRO 29 3.862 10.514 -14.421 198 HG2 PRO 29 HG1 PRO 29 1.258 10.172 -15.918 199 HG3 PRO 29 HG2 PRO 29 2.318 11.623 -15.854 200 HD2 PRO 29 HD1 PRO 29 2.353 9.785 -17.913 201 HD3 PRO 29 HD2 PRO 29 3.804 10.686 -17.430 202 H LEU 30 H LEU 30 3.306 7.026 -13.148 203 HA LEU 30 HA LEU 30 0.947 5.445 -14.086 204 HB2 LEU 30 HB1 LEU 30 2.786 4.938 -11.742 205 HB3 LEU 30 HB2 LEU 30 1.380 3.957 -12.187 206 HG LEU 30 HG LEU 30 3.982 4.267 -13.543 207 HD11 LEU 30 HD11 LEU 30 3.683 2.541 -11.756 208 HD12 LEU 30 HD12 LEU 30 4.108 1.830 -13.328 209 HD13 LEU 30 HD13 LEU 30 2.421 1.794 -12.774 210 HD21 LEU 30 HD21 LEU 30 1.576 2.965 -14.820 211 HD22 LEU 30 HD22 LEU 30 3.262 2.798 -15.388 212 HD23 LEU 30 HD23 LEU 30 2.494 4.380 -15.431 213 H ARG 31 H ARG 31 -0.685 5.109 -12.679 214 HA ARG 31 HA ARG 31 -1.021 6.800 -10.283 215 HB2 ARG 31 HB1 ARG 31 -2.055 7.993 -12.272 216 HB3 ARG 31 HB2 ARG 31 -3.256 6.688 -12.311 217 HG2 ARG 31 HG1 ARG 31 -4.173 7.321 -10.240 218 HG3 ARG 31 HG2 ARG 31 -2.747 8.247 -9.751 219 HD2 ARG 31 HD1 ARG 31 -4.495 9.136 -12.046 220 HD3 ARG 31 HD2 ARG 31 -4.834 9.560 -10.342 221 HE ARG 31 HE ARG 31 -2.609 10.709 -10.288 222 HH11 ARG 31 HH12 ARG 31 -4.321 10.502 -13.370 223 HH12 ARG 31 HH11 ARG 31 -3.523 11.939 -13.964 224 HH21 ARG 31 HH22 ARG 31 -1.583 12.389 -11.116 225 HH22 ARG 31 HH21 ARG 31 -1.975 13.024 -12.682 226 H LEU 32 H LEU 32 -1.280 5.365 -8.749 227 HA LEU 32 HA LEU 32 -2.240 2.593 -9.211 228 HB2 LEU 32 HB1 LEU 32 -0.096 2.987 -8.101 229 HB3 LEU 32 HB2 LEU 32 -0.882 4.054 -6.912 230 HG LEU 32 HG LEU 32 -2.223 1.970 -6.179 231 HD11 LEU 32 HD11 LEU 32 -1.685 0.526 -8.153 232 HD12 LEU 32 HD12 LEU 32 -1.164 -0.209 -6.630 233 HD13 LEU 32 HD13 LEU 32 0.023 0.563 -7.700 234 HD21 LEU 32 HD21 LEU 32 -0.366 1.201 -4.740 235 HD22 LEU 32 HD22 LEU 32 -0.393 2.967 -4.863 236 HD23 LEU 32 HD23 LEU 32 0.800 2.036 -5.789 237 H VAL 33 H VAL 33 -4.324 2.157 -8.816 238 HA VAL 33 HA VAL 33 -5.963 4.143 -7.274 239 HB VAL 33 HB VAL 33 -7.913 3.360 -8.535 240 HG11 VAL 33 HG11 VAL 33 -6.602 5.287 -9.368 241 HG12 VAL 33 HG12 VAL 33 -5.607 4.199 -10.355 242 HG13 VAL 33 HG13 VAL 33 -7.339 4.379 -10.692 243 HG21 VAL 33 HG21 VAL 33 -7.166 1.036 -9.097 244 HG22 VAL 33 HG22 VAL 33 -7.742 1.946 -10.499 245 HG23 VAL 33 HG23 VAL 33 -6.007 1.728 -10.262 246 H GLY 34 H GLY 34 -4.763 0.950 -7.089 247 HA2 GLY 34 HA3 GLY 34 -5.676 0.440 -4.508 248 HA3 GLY 34 HA2 GLY 34 -6.826 -0.356 -5.606 249 H ALA 35 H ALA 35 -5.843 -2.261 -4.325 250 HA ALA 35 HA ALA 35 -4.282 -3.677 -6.265 251 HB1 ALA 35 HB1 ALA 35 -2.431 -2.694 -4.927 252 HB2 ALA 35 HB2 ALA 35 -3.109 -3.438 -3.460 253 HB3 ALA 35 HB3 ALA 35 -2.507 -4.451 -4.796 254 H ARG 36 H ARG 36 -4.257 -6.111 -5.745 255 HA ARG 36 HA ARG 36 -6.519 -6.858 -3.896 256 HB2 ARG 36 HB1 ARG 36 -6.169 -7.862 -6.737 257 HB3 ARG 36 HB2 ARG 36 -7.382 -8.432 -5.581 258 HG2 ARG 36 HG1 ARG 36 -7.194 -5.651 -6.782 259 HG3 ARG 36 HG2 ARG 36 -8.337 -6.923 -7.261 260 HD2 ARG 36 HD1 ARG 36 -8.221 -5.481 -4.579 261 HD3 ARG 36 HD2 ARG 36 -9.436 -5.262 -5.867 262 HE ARG 36 HE ARG 36 -10.177 -7.570 -5.434 263 HH11 ARG 36 HH12 ARG 36 -8.322 -6.101 -2.739 264 HH12 ARG 36 HH11 ARG 36 -9.247 -7.066 -1.584 265 HH21 ARG 36 HH22 ARG 36 -11.169 -8.775 -3.777 266 HH22 ARG 36 HH21 ARG 36 -10.705 -8.451 -2.124 267 H THR 37 H THR 37 -6.267 -8.770 -2.819 268 HA THR 37 HA THR 37 -3.831 -10.409 -3.356 269 HB THR 37 HB THR 37 -3.140 -8.758 -1.860 270 HG1 THR 37 HG1 THR 37 -2.278 -10.726 -1.596 271 HG21 THR 37 HG21 THR 37 -5.135 -8.041 -0.670 272 HG22 THR 37 HG22 THR 37 -3.931 -8.639 0.481 273 HG23 THR 37 HG23 THR 37 -5.321 -9.653 0.045 274 HA PRO 38 HA PRO 38 -6.825 -13.534 -1.647 275 HB2 PRO 38 HB1 PRO 38 -5.063 -15.424 -0.706 276 HB3 PRO 38 HB2 PRO 38 -5.526 -15.249 -2.427 277 HG2 PRO 38 HG1 PRO 38 -3.065 -14.143 -1.065 278 HG3 PRO 38 HG2 PRO 38 -3.157 -15.081 -2.601 279 HD2 PRO 38 HD1 PRO 38 -3.042 -12.370 -2.622 280 HD3 PRO 38 HD2 PRO 38 -4.107 -13.246 -3.760 281 H VAL 39 H VAL 39 -4.009 -12.177 0.115 282 HA VAL 39 HA VAL 39 -4.877 -13.355 2.591 283 HB VAL 39 HB VAL 39 -3.032 -12.498 3.690 284 HG11 VAL 39 HG11 VAL 39 -2.076 -12.885 0.830 285 HG12 VAL 39 HG12 VAL 39 -1.217 -13.254 2.341 286 HG13 VAL 39 HG13 VAL 39 -2.637 -14.201 1.887 287 HG21 VAL 39 HG21 VAL 39 -3.089 -10.100 3.150 288 HG22 VAL 39 HG22 VAL 39 -1.488 -10.778 2.843 289 HG23 VAL 39 HG23 VAL 39 -2.578 -10.444 1.492 290 H ALA 40 H ALA 40 -6.554 -11.027 1.223 291 HA ALA 40 HA ALA 40 -7.696 -10.013 3.682 292 HB1 ALA 40 HB1 ALA 40 -5.727 -8.492 3.369 293 HB2 ALA 40 HB2 ALA 40 -6.386 -8.024 1.785 294 HB3 ALA 40 HB3 ALA 40 -7.293 -7.648 3.262 295 H GLU 41 H GLU 41 -9.715 -8.831 3.310 296 HA GLU 41 HA GLU 41 -10.953 -9.757 0.824 297 HB2 GLU 41 HB1 GLU 41 -11.969 -10.149 3.071 298 HB3 GLU 41 HB2 GLU 41 -12.267 -8.415 3.224 299 HG2 GLU 41 HG1 GLU 41 -14.291 -9.574 2.485 300 HG3 GLU 41 HG2 GLU 41 -13.719 -8.508 1.194 301 H ARG 42 H ARG 42 -11.543 -6.630 2.502 302 HA ARG 42 HA ARG 42 -11.786 -5.311 -0.101 303 HB2 ARG 42 HB1 ARG 42 -12.348 -3.323 1.007 304 HB3 ARG 42 HB2 ARG 42 -13.187 -4.619 1.866 305 HG2 ARG 42 HG1 ARG 42 -11.560 -4.513 3.679 306 HG3 ARG 42 HG2 ARG 42 -10.557 -3.344 2.781 307 HD2 ARG 42 HD1 ARG 42 -11.722 -2.112 4.417 308 HD3 ARG 42 HD2 ARG 42 -12.438 -1.719 2.846 309 HE ARG 42 HE ARG 42 -13.883 -3.857 4.100 310 HH11 ARG 42 HH12 ARG 42 -13.370 -0.361 4.499 311 HH12 ARG 42 HH11 ARG 42 -14.950 -0.101 5.158 312 HH21 ARG 42 HH22 ARG 42 -15.904 -3.481 4.946 313 HH22 ARG 42 HH21 ARG 42 -16.398 -1.867 5.389 314 H VAL 43 H VAL 43 -10.587 -3.443 -0.621 315 HA VAL 43 HA VAL 43 -7.969 -3.064 0.674 316 HB VAL 43 HB VAL 43 -7.541 -4.073 -1.559 317 HG11 VAL 43 HG11 VAL 43 -7.922 -2.800 -3.636 318 HG12 VAL 43 HG12 VAL 43 -9.456 -3.168 -2.844 319 HG13 VAL 43 HG13 VAL 43 -8.750 -1.534 -2.754 320 HG21 VAL 43 HG21 VAL 43 -5.947 -2.521 -0.427 321 HG22 VAL 43 HG22 VAL 43 -5.800 -2.485 -2.192 322 HG23 VAL 43 HG23 VAL 43 -6.634 -1.168 -1.352 323 H GLU 44 H GLU 44 -7.720 -1.015 1.354 324 HA GLU 44 HA GLU 44 -9.007 1.213 -0.155 325 HB2 GLU 44 HB1 GLU 44 -8.674 0.915 2.857 326 HB3 GLU 44 HB2 GLU 44 -9.060 2.442 2.043 327 HG2 GLU 44 HG1 GLU 44 -11.233 1.650 1.420 328 HG3 GLU 44 HG2 GLU 44 -10.840 -0.018 1.891 329 H LEU 45 H LEU 45 -7.146 2.375 -1.040 330 HA LEU 45 HA LEU 45 -4.634 2.228 0.451 331 HB2 LEU 45 HB1 LEU 45 -4.863 2.215 -2.073 332 HB3 LEU 45 HB2 LEU 45 -5.348 3.908 -1.992 333 HG LEU 45 HG LEU 45 -2.815 3.010 -0.567 334 HD11 LEU 45 HD11 LEU 45 -3.117 3.496 -3.543 335 HD12 LEU 45 HD12 LEU 45 -2.571 2.018 -2.736 336 HD13 LEU 45 HD13 LEU 45 -1.557 3.468 -2.646 337 HD21 LEU 45 HD21 LEU 45 -3.458 5.473 -2.220 338 HD22 LEU 45 HD22 LEU 45 -2.004 5.204 -1.227 339 HD23 LEU 45 HD23 LEU 45 -3.572 5.398 -0.433 340 H HIS 46 H HIS 46 -4.154 3.478 2.041 341 HA HIS 46 HA HIS 46 -5.656 5.994 2.508 342 HB2 HIS 46 HB1 HIS 46 -4.368 4.004 4.360 343 HB3 HIS 46 HB2 HIS 46 -4.629 5.676 4.891 344 HD2 HIS 46 HD2 HIS 46 -7.486 3.940 2.922 345 HE1 HIS 46 HE1 HIS 46 -8.662 4.136 6.983 346 HE2 HIS 46 HE2 HIS 46 -9.369 3.383 4.644 347 H GLU 47 H GLU 47 -4.559 7.734 3.420 348 HA GLU 47 HA GLU 47 -1.706 8.128 2.651 349 HB2 GLU 47 HB1 GLU 47 -2.195 10.453 2.444 350 HB3 GLU 47 HB2 GLU 47 -3.447 9.584 1.540 351 HG2 GLU 47 HG1 GLU 47 -4.963 9.852 3.536 352 HG3 GLU 47 HG2 GLU 47 -3.721 10.851 4.312 353 H THR 48 H THR 48 -0.774 9.980 4.095 354 HA THR 48 HA THR 48 -2.050 10.279 6.748 355 HB THR 48 HB THR 48 0.961 10.061 6.363 356 HG1 THR 48 HG1 THR 48 -0.909 8.302 6.652 357 HG21 THR 48 HG21 THR 48 -0.758 10.566 8.842 358 HG22 THR 48 HG22 THR 48 0.404 11.697 8.107 359 HG23 THR 48 HG23 THR 48 0.986 10.203 8.858 360 H PHE 49 H PHE 49 -2.864 12.311 6.375 361 HA PHE 49 HA PHE 49 -1.358 14.237 4.706 362 HB2 PHE 49 HB1 PHE 49 -3.334 15.652 4.922 363 HB3 PHE 49 HB2 PHE 49 -3.716 14.057 4.275 364 HD1 PHE 49 HD2 PHE 49 -3.970 16.276 7.258 365 HD2 PHE 49 HD1 PHE 49 -5.228 12.557 5.492 366 HE1 PHE 49 HE2 PHE 49 -5.688 16.023 9.021 367 HE2 PHE 49 HE1 PHE 49 -6.916 12.288 7.297 368 HZ PHE 49 HZ PHE 49 -7.166 14.021 9.020 369 H MET 50 H MET 50 -0.715 16.261 5.443 370 HA MET 50 HA MET 50 -0.462 16.606 8.406 371 HB2 MET 50 HB1 MET 50 1.433 18.064 8.002 372 HB3 MET 50 HB2 MET 50 1.719 16.415 7.410 373 HG2 MET 50 HG1 MET 50 1.327 17.159 5.106 374 HG3 MET 50 HG2 MET 50 0.989 18.804 5.670 375 HE1 MET 50 HE1 MET 50 3.162 17.932 3.421 376 HE2 MET 50 HE2 MET 50 2.769 19.616 3.859 377 HE3 MET 50 HE3 MET 50 4.460 19.073 3.830 378 H ARG 51 H ARG 51 -1.337 18.346 9.359 379 HA ARG 51 HA ARG 51 -2.251 20.688 7.941 380 HB2 ARG 51 HB1 ARG 51 -3.839 18.550 7.581 381 HB3 ARG 51 HB2 ARG 51 -4.538 19.094 9.101 382 HG2 ARG 51 HG1 ARG 51 -5.369 21.061 8.138 383 HG3 ARG 51 HG2 ARG 51 -4.082 21.134 6.903 384 HD2 ARG 51 HD1 ARG 51 -5.055 19.198 5.742 385 HD3 ARG 51 HD2 ARG 51 -6.355 19.125 6.946 386 HE ARG 51 HE ARG 51 -6.732 21.605 6.152 387 HH11 ARG 51 HH12 ARG 51 -5.782 19.007 3.927 388 HH12 ARG 51 HH11 ARG 51 -6.503 19.796 2.561 389 HH21 ARG 51 HH22 ARG 51 -7.619 22.565 4.319 390 HH22 ARG 51 HH21 ARG 51 -7.538 21.752 2.787 391 H GLU 52 H GLU 52 -4.162 21.661 9.536 392 HA GLU 52 HA GLU 52 -3.479 21.889 12.353 393 HB2 GLU 52 HB1 GLU 52 -1.812 23.236 12.138 394 HB3 GLU 52 HB2 GLU 52 -2.002 23.370 10.386 395 HG2 GLU 52 HG1 GLU 52 -3.710 25.142 10.744 396 HG3 GLU 52 HG2 GLU 52 -3.456 24.954 12.500 397 H VAL 53 H VAL 53 -5.033 23.040 13.378 398 HA VAL 53 HA VAL 53 -7.079 24.507 12.057 399 HB VAL 53 HB VAL 53 -7.775 22.172 11.597 400 HG11 VAL 53 HG11 VAL 53 -8.793 20.840 13.295 401 HG12 VAL 53 HG12 VAL 53 -7.144 21.271 13.807 402 HG13 VAL 53 HG13 VAL 53 -8.547 22.115 14.508 403 HG21 VAL 53 HG21 VAL 53 -10.164 22.583 12.010 404 HG22 VAL 53 HG22 VAL 53 -9.765 23.871 13.167 405 HG23 VAL 53 HG23 VAL 53 -9.370 24.063 11.445 406 H GLU 54 H GLU 54 -6.291 22.876 14.978 407 HA GLU 54 HA GLU 54 -7.172 25.005 16.786 408 HB2 GLU 54 HB1 GLU 54 -5.237 22.710 17.238 409 HB3 GLU 54 HB2 GLU 54 -6.024 23.680 18.502 410 HG2 GLU 54 HG1 GLU 54 -8.203 22.706 17.904 411 HG3 GLU 54 HG2 GLU 54 -7.429 21.735 16.629 412 H GLY 55 H GLY 55 -4.957 25.470 14.560 413 HA2 GLY 55 HA3 GLY 55 -2.929 26.458 14.253 414 HA3 GLY 55 HA2 GLY 55 -3.079 27.111 15.901 415 H LYS 56 H LYS 56 -3.207 23.962 16.545 416 HA LYS 56 HA LYS 56 -0.329 23.376 16.751 417 HB2 LYS 56 HB1 LYS 56 -2.920 21.888 17.309 418 HB3 LYS 56 HB2 LYS 56 -1.336 21.067 17.300 419 HG2 LYS 56 HG1 LYS 56 -0.537 22.419 19.119 420 HG3 LYS 56 HG2 LYS 56 -1.956 23.473 19.072 421 HD2 LYS 56 HD1 LYS 56 -2.280 20.492 19.532 422 HD3 LYS 56 HD2 LYS 56 -1.819 21.567 20.878 423 HE2 LYS 56 HE1 LYS 56 -3.834 22.739 20.824 424 HE3 LYS 56 HE2 LYS 56 -4.177 22.282 19.134 425 HZ1 LYS 56 HZ1 LYS 56 -5.601 21.150 20.699 426 HZ2 LYS 56 HZ2 LYS 56 -4.308 20.333 21.369 427 HZ3 LYS 56 HZ3 LYS 56 -4.820 20.180 19.771 428 H LYS 57 H LYS 57 0.808 22.251 15.222 429 HA LYS 57 HA LYS 57 -0.538 21.453 12.698 430 HB2 LYS 57 HB1 LYS 57 2.382 21.368 13.522 431 HB3 LYS 57 HB2 LYS 57 1.716 20.773 11.966 432 HG2 LYS 57 HG1 LYS 57 2.530 22.801 11.350 433 HG3 LYS 57 HG2 LYS 57 0.852 23.204 11.643 434 HD2 LYS 57 HD1 LYS 57 2.597 23.523 14.020 435 HD3 LYS 57 HD2 LYS 57 3.127 24.510 12.645 436 HE2 LYS 57 HE1 LYS 57 0.255 24.520 13.588 437 HE3 LYS 57 HE2 LYS 57 1.469 25.540 14.381 438 HZ1 LYS 57 HZ1 LYS 57 0.196 26.650 12.636 439 HZ2 LYS 57 HZ2 LYS 57 0.667 25.667 11.523 440 HZ3 LYS 57 HZ3 LYS 57 1.810 26.653 12.232 441 H VAL 58 H VAL 58 -0.784 19.347 12.086 442 HA VAL 58 HA VAL 58 -0.439 17.126 14.044 443 HB VAL 58 HB VAL 58 -3.062 18.123 12.879 444 HG11 VAL 58 HG11 VAL 58 -4.137 16.343 14.309 445 HG12 VAL 58 HG12 VAL 58 -3.215 15.708 12.955 446 HG13 VAL 58 HG13 VAL 58 -2.520 15.665 14.596 447 HG21 VAL 58 HG21 VAL 58 -2.443 19.490 14.808 448 HG22 VAL 58 HG22 VAL 58 -3.762 18.426 15.265 449 HG23 VAL 58 HG23 VAL 58 -2.105 18.035 15.774 450 H MET 59 H MET 59 -0.733 15.024 13.056 451 HA MET 59 HA MET 59 -1.096 14.942 10.119 452 HB2 MET 59 HB1 MET 59 1.070 13.625 11.720 453 HB3 MET 59 HB2 MET 59 0.418 12.804 10.276 454 HG2 MET 59 HG1 MET 59 1.018 14.551 8.837 455 HG3 MET 59 HG2 MET 59 1.298 15.695 10.152 456 HE1 MET 59 HE1 MET 59 3.286 15.981 11.492 457 HE2 MET 59 HE2 MET 59 3.057 14.380 12.223 458 HE3 MET 59 HE3 MET 59 4.660 14.851 11.611 459 H GLY 60 H GLY 60 -2.414 13.268 9.370 460 HA2 GLY 60 HA3 GLY 60 -3.385 11.199 11.224 461 HA3 GLY 60 HA2 GLY 60 -4.590 12.400 10.706 462 H MET 61 H MET 61 -4.772 9.599 10.202 463 HA MET 61 HA MET 61 -4.046 9.195 7.370 464 HB2 MET 61 HB1 MET 61 -5.143 7.280 9.453 465 HB3 MET 61 HB2 MET 61 -4.658 6.852 7.784 466 HG2 MET 61 HG1 MET 61 -2.796 6.264 9.001 467 HG3 MET 61 HG2 MET 61 -2.375 7.855 8.369 468 HE1 MET 61 HE1 MET 61 -0.378 8.035 11.591 469 HE2 MET 61 HE2 MET 61 -0.561 6.655 10.483 470 HE3 MET 61 HE3 MET 61 -0.442 8.307 9.838 471 H ARG 62 H ARG 62 -5.557 8.065 5.942 472 HA ARG 62 HA ARG 62 -8.420 8.435 6.130 473 HB2 ARG 62 HB1 ARG 62 -6.953 10.771 5.724 474 HB3 ARG 62 HB2 ARG 62 -7.380 10.279 4.075 475 HG2 ARG 62 HG1 ARG 62 -9.783 10.222 4.765 476 HG3 ARG 62 HG2 ARG 62 -9.314 10.769 6.390 477 HD2 ARG 62 HD1 ARG 62 -10.150 12.616 4.880 478 HD3 ARG 62 HD2 ARG 62 -8.513 12.882 5.530 479 HE ARG 62 HE ARG 62 -7.592 12.653 3.412 480 HH11 ARG 62 HH12 ARG 62 -10.905 11.450 3.090 481 HH12 ARG 62 HH11 ARG 62 -10.461 10.680 1.581 482 HH21 ARG 62 HH22 ARG 62 -7.235 11.882 1.592 483 HH22 ARG 62 HH21 ARG 62 -8.445 11.018 0.667 484 HA PRO 63 HA PRO 63 -7.622 6.066 2.259 485 HB2 PRO 63 HB1 PRO 63 -10.163 5.793 1.271 486 HB3 PRO 63 HB2 PRO 63 -9.452 4.718 2.486 487 HG2 PRO 63 HG1 PRO 63 -11.326 6.997 2.873 488 HG3 PRO 63 HG2 PRO 63 -11.255 5.458 3.778 489 HD2 PRO 63 HD1 PRO 63 -10.283 7.911 4.687 490 HD3 PRO 63 HD2 PRO 63 -9.643 6.339 5.236 491 H VAL 64 H VAL 64 -7.298 6.579 0.164 492 HA VAL 64 HA VAL 64 -8.217 9.264 -0.822 493 HB VAL 64 HB VAL 64 -6.057 9.142 -2.237 494 HG11 VAL 64 HG11 VAL 64 -6.429 10.804 -0.516 495 HG12 VAL 64 HG12 VAL 64 -5.896 9.670 0.752 496 HG13 VAL 64 HG13 VAL 64 -4.749 10.259 -0.478 497 HG21 VAL 64 HG21 VAL 64 -4.144 7.986 -1.344 498 HG22 VAL 64 HG22 VAL 64 -5.081 7.343 0.014 499 HG23 VAL 64 HG23 VAL 64 -5.423 6.797 -1.649 500 HA PRO 65 HA PRO 65 -9.721 7.023 -4.344 501 HB2 PRO 65 HB1 PRO 65 -9.513 8.794 -6.406 502 HB3 PRO 65 HB2 PRO 65 -10.664 9.016 -5.053 503 HG2 PRO 65 HG1 PRO 65 -7.899 10.234 -5.353 504 HG3 PRO 65 HG2 PRO 65 -9.441 11.078 -4.964 505 HD2 PRO 65 HD1 PRO 65 -7.705 10.315 -3.009 506 HD3 PRO 65 HD2 PRO 65 -9.471 10.183 -2.772 507 H PHE 66 H PHE 66 -6.336 8.101 -4.278 508 HA PHE 66 HA PHE 66 -5.376 5.884 -5.680 509 HB2 PHE 66 HB1 PHE 66 -4.486 6.970 -7.704 510 HB3 PHE 66 HB2 PHE 66 -6.239 6.837 -7.724 511 HD1 PHE 66 HD1 PHE 66 -3.391 9.223 -7.251 512 HD2 PHE 66 HD2 PHE 66 -7.619 8.773 -7.958 513 HE1 PHE 66 HE1 PHE 66 -3.552 11.629 -7.779 514 HE2 PHE 66 HE2 PHE 66 -7.777 11.191 -8.503 515 HZ PHE 66 HZ PHE 66 -5.739 12.625 -8.416 516 H LEU 67 H LEU 67 -3.108 6.110 -6.189 517 HA LEU 67 HA LEU 67 -1.649 8.416 -5.065 518 HB2 LEU 67 HB1 LEU 67 -1.314 5.607 -4.382 519 HB3 LEU 67 HB2 LEU 67 0.126 6.140 -5.263 520 HG LEU 67 HG LEU 67 -1.058 7.420 -2.768 521 HD11 LEU 67 HD11 LEU 67 1.462 5.741 -3.333 522 HD12 LEU 67 HD12 LEU 67 0.062 5.254 -2.355 523 HD13 LEU 67 HD13 LEU 67 1.144 6.542 -1.798 524 HD21 LEU 67 HD21 LEU 67 1.483 8.130 -4.349 525 HD22 LEU 67 HD22 LEU 67 1.096 8.749 -2.732 526 HD23 LEU 67 HD23 LEU 67 0.076 9.187 -4.095 527 H GLU 68 H GLU 68 0.653 8.433 -6.353 528 HA GLU 68 HA GLU 68 0.507 7.300 -9.011 529 HB2 GLU 68 HB1 GLU 68 0.493 9.301 -10.269 530 HB3 GLU 68 HB2 GLU 68 -0.922 9.328 -9.207 531 HG2 GLU 68 HG1 GLU 68 0.395 10.871 -7.673 532 HG3 GLU 68 HG2 GLU 68 1.658 10.914 -8.928 533 H VAL 69 H VAL 69 2.386 7.893 -10.320 534 HA VAL 69 HA VAL 69 4.798 8.429 -8.701 535 HB VAL 69 HB VAL 69 4.410 5.808 -10.239 536 HG11 VAL 69 HG11 VAL 69 6.752 6.505 -10.302 537 HG12 VAL 69 HG12 VAL 69 6.763 6.783 -8.555 538 HG13 VAL 69 HG13 VAL 69 6.586 5.138 -9.206 539 HG21 VAL 69 HG21 VAL 69 4.461 6.261 -7.237 540 HG22 VAL 69 HG22 VAL 69 3.138 5.580 -8.216 541 HG23 VAL 69 HG23 VAL 69 4.643 4.685 -8.019 542 HA PRO 70 HA PRO 70 5.733 10.107 -12.754 543 HB2 PRO 70 HB1 PRO 70 8.162 11.243 -12.319 544 HB3 PRO 70 HB2 PRO 70 6.652 11.890 -11.611 545 HG2 PRO 70 HG1 PRO 70 8.673 10.026 -10.313 546 HG3 PRO 70 HG2 PRO 70 7.983 11.545 -9.635 547 HD2 PRO 70 HD1 PRO 70 6.973 9.071 -9.020 548 HD3 PRO 70 HD2 PRO 70 5.916 10.501 -9.188 549 HA PRO 71 HA PRO 71 7.938 7.026 -14.913 550 HB2 PRO 71 HB1 PRO 71 9.214 8.404 -16.945 551 HB3 PRO 71 HB2 PRO 71 7.481 7.949 -16.875 552 HG2 PRO 71 HG1 PRO 71 8.751 10.594 -16.212 553 HG3 PRO 71 HG2 PRO 71 7.202 10.268 -17.083 554 HD2 PRO 71 HD1 PRO 71 7.277 10.984 -14.454 555 HD3 PRO 71 HD2 PRO 71 6.062 9.852 -15.084 556 H LYS 72 H LYS 72 9.677 5.838 -14.886 557 HA LYS 72 HA LYS 72 11.667 4.995 -14.304 558 HB2 LYS 72 HB1 LYS 72 12.861 7.764 -14.482 559 HB3 LYS 72 HB2 LYS 72 13.687 6.207 -14.689 560 HG2 LYS 72 HG1 LYS 72 11.594 7.404 -16.543 561 HG3 LYS 72 HG2 LYS 72 13.347 7.351 -16.803 562 HD2 LYS 72 HD1 LYS 72 13.286 4.930 -17.058 563 HD3 LYS 72 HD2 LYS 72 11.579 4.872 -16.533 564 HE2 LYS 72 HE1 LYS 72 10.922 6.238 -18.456 565 HE3 LYS 72 HE2 LYS 72 12.583 6.274 -19.049 566 HZ1 LYS 72 HZ1 LYS 72 11.189 4.615 -20.118 567 HZ2 LYS 72 HZ2 LYS 72 10.947 3.822 -18.695 568 HZ3 LYS 72 HZ3 LYS 72 12.455 3.895 -19.359 569 H GLY 73 H GLY 73 10.074 6.989 -12.294 570 HA2 GLY 73 HA3 GLY 73 11.973 7.037 -10.051 571 HA3 GLY 73 HA2 GLY 73 10.375 7.814 -10.127 572 H ARG 74 H ARG 74 11.837 5.811 -8.472 573 HA ARG 74 HA ARG 74 9.410 4.211 -7.889 574 HB2 ARG 74 HB1 ARG 74 10.521 2.525 -6.725 575 HB3 ARG 74 HB2 ARG 74 11.345 2.706 -8.281 576 HG2 ARG 74 HG1 ARG 74 13.255 3.707 -7.233 577 HG3 ARG 74 HG2 ARG 74 12.413 3.858 -5.672 578 HD2 ARG 74 HD1 ARG 74 14.078 2.024 -5.714 579 HD3 ARG 74 HD2 ARG 74 12.455 1.473 -5.316 580 HE ARG 74 HE ARG 74 13.834 1.092 -7.936 581 HH11 ARG 74 HH12 ARG 74 11.649 -0.426 -5.501 582 HH12 ARG 74 HH11 ARG 74 10.884 -1.351 -6.773 583 HH21 ARG 74 HH22 ARG 74 13.070 -0.664 -9.235 584 HH22 ARG 74 HH21 ARG 74 11.741 -1.623 -8.571 585 H VAL 75 H VAL 75 8.386 4.510 -5.995 586 HA VAL 75 HA VAL 75 9.575 6.217 -3.869 587 HB VAL 75 HB VAL 75 7.667 7.752 -3.764 588 HG11 VAL 75 HG11 VAL 75 8.186 9.203 -5.628 589 HG12 VAL 75 HG12 VAL 75 9.678 8.437 -5.059 590 HG13 VAL 75 HG13 VAL 75 8.888 7.863 -6.550 591 HG21 VAL 75 HG21 VAL 75 6.089 7.951 -5.709 592 HG22 VAL 75 HG22 VAL 75 6.717 6.406 -6.322 593 HG23 VAL 75 HG23 VAL 75 5.867 6.475 -4.768 594 H GLU 76 H GLU 76 8.501 6.037 -1.791 595 HA GLU 76 HA GLU 76 7.135 3.439 -1.690 596 HB2 GLU 76 HB1 GLU 76 7.939 4.238 0.900 597 HB3 GLU 76 HB2 GLU 76 8.428 2.843 -0.094 598 HG2 GLU 76 HG1 GLU 76 10.424 3.894 0.534 599 HG3 GLU 76 HG2 GLU 76 10.192 4.392 -1.137 600 H LEU 77 H LEU 77 5.358 2.865 -0.921 601 HA LEU 77 HA LEU 77 3.519 4.632 0.537 602 HB2 LEU 77 HB1 LEU 77 3.470 1.677 -0.199 603 HB3 LEU 77 HB2 LEU 77 2.249 2.482 0.825 604 HG LEU 77 HG LEU 77 1.843 4.018 -1.196 605 HD11 LEU 77 HD11 LEU 77 2.217 2.920 -3.420 606 HD12 LEU 77 HD12 LEU 77 3.224 1.692 -2.626 607 HD13 LEU 77 HD13 LEU 77 3.730 3.395 -2.658 608 HD21 LEU 77 HD21 LEU 77 1.064 1.075 -1.169 609 HD22 LEU 77 HD22 LEU 77 0.285 2.302 -2.180 610 HD23 LEU 77 HD23 LEU 77 0.200 2.430 -0.414 611 H LYS 78 H LYS 78 5.095 5.244 2.047 612 HA LYS 78 HA LYS 78 6.165 3.260 3.919 613 HB2 LYS 78 HB1 LYS 78 7.316 5.173 4.889 614 HB3 LYS 78 HB2 LYS 78 7.487 5.179 3.120 615 HG2 LYS 78 HG1 LYS 78 5.353 6.786 3.285 616 HG3 LYS 78 HG2 LYS 78 5.967 7.026 4.938 617 HD2 LYS 78 HD1 LYS 78 6.966 8.779 3.733 618 HD3 LYS 78 HD2 LYS 78 8.240 7.541 3.781 619 HE2 LYS 78 HE1 LYS 78 7.272 6.712 1.539 620 HE3 LYS 78 HE2 LYS 78 6.329 8.190 1.469 621 HZ1 LYS 78 HZ1 LYS 78 9.261 7.911 1.619 622 HZ2 LYS 78 HZ2 LYS 78 8.504 9.406 1.519 623 HZ3 LYS 78 HZ3 LYS 78 8.510 8.246 0.297 624 HA PRO 79 HA PRO 79 2.690 2.888 6.448 625 HB2 PRO 79 HB1 PRO 79 3.790 3.037 9.073 626 HB3 PRO 79 HB2 PRO 79 3.529 1.591 8.067 627 HG2 PRO 79 HG1 PRO 79 6.024 3.223 8.412 628 HG3 PRO 79 HG2 PRO 79 5.868 1.445 8.190 629 HD2 PRO 79 HD1 PRO 79 6.652 3.049 6.153 630 HD3 PRO 79 HD2 PRO 79 5.528 1.691 5.854 631 H GLY 80 H GLY 80 4.718 5.438 8.066 632 HA2 GLY 80 HA3 GLY 80 2.325 7.167 8.367 633 HA3 GLY 80 HA2 GLY 80 3.972 7.516 8.939 634 H GLY 81 H GLY 81 1.765 7.593 6.246 635 HA2 GLY 81 HA3 GLY 81 2.764 9.558 4.612 636 HA3 GLY 81 HA2 GLY 81 3.749 8.140 4.186 637 H TYR 82 H TYR 82 2.496 6.137 3.641 638 HA TYR 82 HA TYR 82 -0.259 6.322 2.701 639 HB2 TYR 82 HB1 TYR 82 1.873 5.811 0.634 640 HB3 TYR 82 HB2 TYR 82 0.121 5.790 0.402 641 HD1 TYR 82 HD1 TYR 82 -1.167 7.959 0.452 642 HD2 TYR 82 HD2 TYR 82 3.145 7.802 0.515 643 HE1 TYR 82 HE1 TYR 82 -1.076 10.388 -0.078 644 HE2 TYR 82 HE2 TYR 82 3.243 10.226 -0.036 645 HH TYR 82 HH TYR 82 0.282 12.193 -0.396 646 H HIS 83 H HIS 83 -1.165 4.230 2.471 647 HA HIS 83 HA HIS 83 0.453 1.819 2.412 648 HB2 HIS 83 HB1 HIS 83 -0.149 1.048 4.690 649 HB3 HIS 83 HB2 HIS 83 0.992 2.394 4.712 650 HD1 HIS 83 HD1 HIS 83 0.161 4.610 5.961 651 HD2 HIS 83 HD2 HIS 83 -2.693 1.555 5.545 652 HE1 HIS 83 HE1 HIS 83 -1.903 5.380 7.226 653 H PHE 84 H PHE 84 -0.970 -0.125 2.744 654 HA PHE 84 HA PHE 84 -3.703 0.438 1.676 655 HB2 PHE 84 HB1 PHE 84 -1.899 -1.992 1.711 656 HB3 PHE 84 HB2 PHE 84 -3.643 -2.093 1.366 657 HD1 PHE 84 HD2 PHE 84 -4.486 -0.260 -0.416 658 HD2 PHE 84 HD1 PHE 84 -0.493 -1.884 -0.178 659 HE1 PHE 84 HE2 PHE 84 -4.192 0.100 -2.844 660 HE2 PHE 84 HE1 PHE 84 -0.179 -1.428 -2.606 661 HZ PHE 84 HZ PHE 84 -2.031 -0.427 -3.923 662 H MET 85 H MET 85 -5.288 0.462 3.028 663 HA MET 85 HA MET 85 -5.291 -1.008 5.587 664 HB2 MET 85 HB1 MET 85 -7.024 1.050 4.301 665 HB3 MET 85 HB2 MET 85 -7.874 -0.167 5.286 666 HG2 MET 85 HG1 MET 85 -5.651 1.664 6.204 667 HG3 MET 85 HG2 MET 85 -7.379 1.752 6.625 668 HE1 MET 85 HE1 MET 85 -3.991 0.174 7.127 669 HE2 MET 85 HE2 MET 85 -4.398 1.482 8.245 670 HE3 MET 85 HE3 MET 85 -4.114 -0.152 8.883 671 H LEU 86 H LEU 86 -5.184 -3.000 5.273 672 HA LEU 86 HA LEU 86 -7.004 -4.426 3.395 673 HB2 LEU 86 HB1 LEU 86 -4.518 -5.258 4.951 674 HB3 LEU 86 HB2 LEU 86 -5.437 -6.309 3.866 675 HG LEU 86 HG LEU 86 -3.693 -3.930 3.174 676 HD11 LEU 86 HD11 LEU 86 -3.700 -6.829 2.233 677 HD12 LEU 86 HD12 LEU 86 -2.609 -6.134 3.451 678 HD13 LEU 86 HD13 LEU 86 -2.529 -5.576 1.771 679 HD21 LEU 86 HD21 LEU 86 -4.374 -4.307 0.775 680 HD22 LEU 86 HD22 LEU 86 -5.620 -3.579 1.796 681 HD23 LEU 86 HD23 LEU 86 -5.719 -5.311 1.365 682 H LEU 87 H LEU 87 -8.848 -5.001 4.283 683 HA LEU 87 HA LEU 87 -9.063 -5.625 7.200 684 HB2 LEU 87 HB1 LEU 87 -10.221 -3.549 5.726 685 HB3 LEU 87 HB2 LEU 87 -11.513 -4.762 5.774 686 HG LEU 87 HG LEU 87 -10.168 -3.567 8.208 687 HD11 LEU 87 HD11 LEU 87 -11.444 -1.891 6.946 688 HD12 LEU 87 HD12 LEU 87 -12.235 -2.284 8.480 689 HD13 LEU 87 HD13 LEU 87 -12.874 -2.954 6.964 690 HD21 LEU 87 HD21 LEU 87 -12.670 -5.314 7.928 691 HD22 LEU 87 HD22 LEU 87 -12.081 -4.582 9.436 692 HD23 LEU 87 HD23 LEU 87 -11.130 -5.838 8.635 693 H GLY 88 H GLY 88 -10.041 -7.519 7.758 694 HA2 GLY 88 HA3 GLY 88 -11.225 -9.528 7.533 695 HA3 GLY 88 HA2 GLY 88 -11.604 -9.125 5.843 696 H LEU 89 H LEU 89 -8.703 -9.799 7.893 697 HA LEU 89 HA LEU 89 -7.129 -10.675 5.632 698 HB2 LEU 89 HB1 LEU 89 -6.597 -11.033 8.593 699 HB3 LEU 89 HB2 LEU 89 -5.417 -11.224 7.278 700 HG LEU 89 HG LEU 89 -6.762 -8.654 8.193 701 HD11 LEU 89 HD11 LEU 89 -4.962 -9.507 9.653 702 HD12 LEU 89 HD12 LEU 89 -4.506 -7.987 8.859 703 HD13 LEU 89 HD13 LEU 89 -3.857 -9.536 8.271 704 HD21 LEU 89 HD21 LEU 89 -4.809 -9.036 5.891 705 HD22 LEU 89 HD22 LEU 89 -5.334 -7.475 6.569 706 HD23 LEU 89 HD23 LEU 89 -6.507 -8.511 5.771 707 H LYS 90 H LYS 90 -7.214 -12.538 4.605 708 HA LYS 90 HA LYS 90 -9.049 -14.545 5.619 709 HB2 LYS 90 HB1 LYS 90 -7.488 -14.621 3.026 710 HB3 LYS 90 HB2 LYS 90 -8.979 -15.505 3.436 711 HG2 LYS 90 HG1 LYS 90 -10.024 -13.142 3.750 712 HG3 LYS 90 HG2 LYS 90 -8.607 -12.554 2.853 713 HD2 LYS 90 HD1 LYS 90 -9.257 -14.314 1.054 714 HD3 LYS 90 HD2 LYS 90 -10.804 -14.442 1.932 715 HE2 LYS 90 HE1 LYS 90 -10.831 -11.836 1.769 716 HE3 LYS 90 HE2 LYS 90 -9.595 -12.030 0.519 717 HZ1 LYS 90 HZ1 LYS 90 -11.796 -11.898 -0.424 718 HZ2 LYS 90 HZ2 LYS 90 -12.393 -12.978 0.529 719 HZ3 LYS 90 HZ3 LYS 90 -11.302 -13.479 -0.647 720 H ARG 91 H ARG 91 -5.771 -14.313 6.024 721 HA ARG 91 HA ARG 91 -5.896 -16.930 7.387 722 HB2 ARG 91 HB1 ARG 91 -3.413 -15.732 6.076 723 HB3 ARG 91 HB2 ARG 91 -3.364 -17.001 7.328 724 HG2 ARG 91 HG1 ARG 91 -4.684 -18.482 5.808 725 HG3 ARG 91 HG2 ARG 91 -4.563 -17.241 4.541 726 HD2 ARG 91 HD1 ARG 91 -2.089 -17.402 4.627 727 HD3 ARG 91 HD2 ARG 91 -2.206 -18.628 5.908 728 HE ARG 91 HE ARG 91 -3.738 -19.573 3.763 729 HH11 ARG 91 HH12 ARG 91 -0.313 -18.910 4.400 730 HH12 ARG 91 HH11 ARG 91 0.237 -19.924 3.105 731 HH21 ARG 91 HH22 ARG 91 -2.938 -21.010 2.161 732 HH22 ARG 91 HH21 ARG 91 -1.214 -21.093 1.893 733 HA PRO 92 HA PRO 92 -4.303 -13.924 10.525 734 HB2 PRO 92 HB1 PRO 92 -3.478 -15.637 12.466 735 HB3 PRO 92 HB2 PRO 92 -5.192 -15.171 12.261 736 HG2 PRO 92 HG1 PRO 92 -3.802 -17.696 11.346 737 HG3 PRO 92 HG2 PRO 92 -5.432 -17.528 12.089 738 HD2 PRO 92 HD1 PRO 92 -4.931 -17.768 9.343 739 HD3 PRO 92 HD2 PRO 92 -6.387 -16.994 10.031 740 H LEU 93 H LEU 93 -2.378 -13.176 10.103 741 HA LEU 93 HA LEU 93 -0.654 -14.430 8.209 742 HB2 LEU 93 HB1 LEU 93 -0.568 -11.915 9.889 743 HB3 LEU 93 HB2 LEU 93 0.810 -12.325 8.856 744 HG LEU 93 HG LEU 93 -0.871 -10.634 8.005 745 HD11 LEU 93 HD11 LEU 93 -0.733 -11.463 5.657 746 HD12 LEU 93 HD12 LEU 93 -0.149 -13.024 6.281 747 HD13 LEU 93 HD13 LEU 93 0.788 -11.531 6.547 748 HD21 LEU 93 HD21 LEU 93 -2.550 -13.053 7.290 749 HD22 LEU 93 HD22 LEU 93 -2.852 -11.373 6.827 750 HD23 LEU 93 HD23 LEU 93 -2.976 -11.842 8.530 751 H LYS 94 H LYS 94 1.481 -15.159 8.268 752 HA LYS 94 HA LYS 94 2.866 -15.178 10.928 753 HB2 LYS 94 HB1 LYS 94 3.064 -17.324 8.787 754 HB3 LYS 94 HB2 LYS 94 3.935 -17.318 10.323 755 HG2 LYS 94 HG1 LYS 94 0.911 -17.470 10.033 756 HG3 LYS 94 HG2 LYS 94 1.986 -18.875 10.226 757 HD2 LYS 94 HD1 LYS 94 2.511 -18.330 12.443 758 HD3 LYS 94 HD2 LYS 94 1.972 -16.650 12.293 759 HE2 LYS 94 HE1 LYS 94 0.122 -19.063 12.143 760 HE3 LYS 94 HE2 LYS 94 0.427 -18.096 13.610 761 HZ1 LYS 94 HZ1 LYS 94 -0.329 -16.146 12.202 762 HZ2 LYS 94 HZ2 LYS 94 -1.527 -17.225 12.579 763 HZ3 LYS 94 HZ3 LYS 94 -0.850 -17.176 11.087 764 H ALA 95 H ALA 95 4.754 -14.262 10.955 765 HA ALA 95 HA ALA 95 6.054 -12.965 8.742 766 HB1 ALA 95 HB1 ALA 95 7.969 -12.812 10.295 767 HB2 ALA 95 HB2 ALA 95 6.458 -12.388 11.122 768 HB3 ALA 95 HB3 ALA 95 7.204 -13.985 11.380 769 H GLY 96 H GLY 96 7.152 -13.851 7.055 770 HA2 GLY 96 HA3 GLY 96 8.582 -15.449 6.010 771 HA3 GLY 96 HA2 GLY 96 8.151 -16.638 7.260 772 H GLU 97 H GLU 97 5.194 -15.290 6.274 773 HA GLU 97 HA GLU 97 4.711 -17.305 4.167 774 HB2 GLU 97 HB1 GLU 97 3.014 -15.247 5.585 775 HB3 GLU 97 HB2 GLU 97 2.459 -16.000 4.070 776 HG2 GLU 97 HG1 GLU 97 2.669 -18.227 5.085 777 HG3 GLU 97 HG2 GLU 97 3.181 -17.493 6.610 778 H GLU 98 H GLU 98 3.604 -16.390 2.164 779 HA GLU 98 HA GLU 98 5.088 -14.073 1.032 780 HB2 GLU 98 HB1 GLU 98 5.059 -15.258 -1.084 781 HB3 GLU 98 HB2 GLU 98 5.806 -16.279 0.169 782 HG2 GLU 98 HG1 GLU 98 3.386 -17.273 0.410 783 HG3 GLU 98 HG2 GLU 98 3.099 -16.559 -1.185 784 H VAL 99 H VAL 99 3.854 -12.684 -0.308 785 HA VAL 99 HA VAL 99 0.866 -13.068 -0.283 786 HB VAL 99 HB VAL 99 2.450 -10.485 0.116 787 HG11 VAL 99 HG11 VAL 99 0.133 -9.469 0.428 788 HG12 VAL 99 HG12 VAL 99 0.525 -9.885 -1.229 789 HG13 VAL 99 HG13 VAL 99 -0.529 -10.955 -0.266 790 HG21 VAL 99 HG21 VAL 99 1.176 -10.521 2.327 791 HG22 VAL 99 HG22 VAL 99 0.732 -12.190 1.962 792 HG23 VAL 99 HG23 VAL 99 2.435 -11.743 2.143 793 H GLU 100 H GLU 100 0.268 -13.487 -2.263 794 HA GLU 100 HA GLU 100 1.305 -12.131 -4.658 795 HB2 GLU 100 HB1 GLU 100 -1.110 -13.822 -4.003 796 HB3 GLU 100 HB2 GLU 100 -1.078 -12.834 -5.486 797 HG2 GLU 100 HG1 GLU 100 1.391 -14.302 -5.328 798 HG3 GLU 100 HG2 GLU 100 0.055 -15.437 -5.031 799 H LEU 101 H LEU 101 0.756 -10.177 -5.374 800 HA LEU 101 HA LEU 101 -1.733 -8.881 -4.518 801 HB2 LEU 101 HB1 LEU 101 0.937 -8.127 -3.577 802 HB3 LEU 101 HB2 LEU 101 0.063 -6.779 -4.345 803 HG LEU 101 HG LEU 101 -1.193 -8.435 -2.198 804 HD11 LEU 101 HD11 LEU 101 0.843 -7.493 -1.334 805 HD12 LEU 101 HD12 LEU 101 -0.584 -6.668 -0.664 806 HD13 LEU 101 HD13 LEU 101 0.385 -5.881 -1.965 807 HD21 LEU 101 HD21 LEU 101 -2.635 -6.864 -3.696 808 HD22 LEU 101 HD22 LEU 101 -1.679 -5.527 -3.046 809 HD23 LEU 101 HD23 LEU 101 -2.690 -6.489 -1.962 810 H ASP 102 H ASP 102 -2.715 -8.366 -6.198 811 HA ASP 102 HA ASP 102 -1.554 -7.648 -8.808 812 HB2 ASP 102 HB1 ASP 102 -4.344 -8.097 -7.702 813 HB3 ASP 102 HB2 ASP 102 -4.035 -7.662 -9.383 814 H LEU 103 H LEU 103 -0.637 -5.556 -8.585 815 HA LEU 103 HA LEU 103 -1.968 -3.393 -7.231 816 HB2 LEU 103 HB1 LEU 103 0.313 -3.300 -9.216 817 HB3 LEU 103 HB2 LEU 103 -0.062 -2.102 -7.980 818 HG LEU 103 HG LEU 103 0.987 -4.944 -7.516 819 HD11 LEU 103 HD11 LEU 103 3.059 -3.832 -6.822 820 HD12 LEU 103 HD12 LEU 103 2.340 -2.254 -7.183 821 HD13 LEU 103 HD13 LEU 103 2.647 -3.412 -8.494 822 HD21 LEU 103 HD21 LEU 103 0.400 -2.726 -5.503 823 HD22 LEU 103 HD22 LEU 103 1.309 -4.213 -5.146 824 HD23 LEU 103 HD23 LEU 103 -0.391 -4.318 -5.609 825 H LEU 104 H LEU 104 -3.466 -2.007 -7.992 826 HA LEU 104 HA LEU 104 -4.400 -2.330 -10.792 827 HB2 LEU 104 HB1 LEU 104 -5.753 -0.865 -8.511 828 HB3 LEU 104 HB2 LEU 104 -6.473 -1.387 -10.043 829 HG LEU 104 HG LEU 104 -5.654 -3.085 -7.706 830 HD11 LEU 104 HD11 LEU 104 -7.743 -1.832 -7.417 831 HD12 LEU 104 HD12 LEU 104 -8.064 -3.568 -7.538 832 HD13 LEU 104 HD13 LEU 104 -8.376 -2.514 -8.931 833 HD21 LEU 104 HD21 LEU 104 -6.647 -5.022 -8.988 834 HD22 LEU 104 HD22 LEU 104 -5.184 -4.382 -9.739 835 HD23 LEU 104 HD23 LEU 104 -6.776 -3.966 -10.411 836 H PHE 105 H PHE 105 -4.205 -0.770 -12.280 837 HA PHE 105 HA PHE 105 -3.357 1.976 -11.383 838 HB2 PHE 105 HB1 PHE 105 -2.314 0.148 -13.554 839 HB3 PHE 105 HB2 PHE 105 -1.923 1.857 -13.507 840 HD1 PHE 105 HD2 PHE 105 -0.649 2.730 -11.457 841 HD2 PHE 105 HD1 PHE 105 -1.076 -1.464 -12.373 842 HE1 PHE 105 HE2 PHE 105 1.385 2.227 -10.122 843 HE2 PHE 105 HE1 PHE 105 0.931 -1.954 -11.001 844 HZ PHE 105 HZ PHE 105 2.168 -0.125 -9.890 845 H ALA 106 H ALA 106 -4.302 3.570 -12.219 846 HA ALA 106 HA ALA 106 -6.116 4.730 -13.169 847 HB1 ALA 106 HB1 ALA 106 -5.285 5.534 -15.348 848 HB2 ALA 106 HB2 ALA 106 -3.961 5.371 -14.180 849 HB3 ALA 106 HB3 ALA 106 -4.175 4.150 -15.449 850 H GLY 107 H GLY 107 -7.370 2.466 -12.824 851 HA2 GLY 107 HA3 GLY 107 -9.203 1.261 -13.506 852 HA3 GLY 107 HA2 GLY 107 -9.198 2.145 -15.050 853 H GLY 108 H GLY 108 -7.999 1.397 -16.745 854 HA2 GLY 108 HA3 GLY 108 -8.182 -1.438 -16.954 855 HA3 GLY 108 HA2 GLY 108 -7.773 -0.301 -18.258 856 H LYS 109 H LYS 109 -5.466 -0.343 -15.536 857 HA LYS 109 HA LYS 109 -3.779 -2.348 -16.954 858 HB2 LYS 109 HB1 LYS 109 -3.137 0.222 -15.498 859 HB3 LYS 109 HB2 LYS 109 -1.978 -1.111 -15.581 860 HG2 LYS 109 HG1 LYS 109 -1.375 0.598 -17.127 861 HG3 LYS 109 HG2 LYS 109 -1.864 -0.850 -18.014 862 HD2 LYS 109 HD1 LYS 109 -2.692 1.244 -19.057 863 HD3 LYS 109 HD2 LYS 109 -4.019 0.189 -18.547 864 HE2 LYS 109 HE1 LYS 109 -3.848 1.683 -16.322 865 HE3 LYS 109 HE2 LYS 109 -3.076 2.841 -17.405 866 HZ1 LYS 109 HZ1 LYS 109 -5.116 2.779 -18.755 867 HZ2 LYS 109 HZ2 LYS 109 -5.537 3.088 -17.178 868 HZ3 LYS 109 HZ3 LYS 109 -5.744 1.602 -17.784 869 H VAL 110 H VAL 110 -3.070 -3.999 -15.594 870 HA VAL 110 HA VAL 110 -2.882 -3.525 -12.740 871 HB VAL 110 HB VAL 110 -5.043 -4.474 -12.845 872 HG11 VAL 110 HG11 VAL 110 -3.968 -6.755 -14.531 873 HG12 VAL 110 HG12 VAL 110 -5.600 -6.651 -13.837 874 HG13 VAL 110 HG13 VAL 110 -5.089 -5.470 -15.044 875 HG21 VAL 110 HG21 VAL 110 -3.533 -5.369 -11.037 876 HG22 VAL 110 HG22 VAL 110 -4.835 -6.484 -11.478 877 HG23 VAL 110 HG23 VAL 110 -3.186 -6.772 -12.064 878 H LEU 111 H LEU 111 -1.155 -4.529 -11.846 879 HA LEU 111 HA LEU 111 0.512 -6.427 -13.451 880 HB2 LEU 111 HB1 LEU 111 1.395 -3.784 -12.204 881 HB3 LEU 111 HB2 LEU 111 2.498 -4.990 -12.880 882 HG LEU 111 HG LEU 111 0.406 -3.438 -14.482 883 HD11 LEU 111 HD11 LEU 111 2.115 -1.933 -13.559 884 HD12 LEU 111 HD12 LEU 111 2.306 -2.110 -15.311 885 HD13 LEU 111 HD13 LEU 111 3.403 -2.970 -14.208 886 HD21 LEU 111 HD21 LEU 111 1.049 -5.601 -15.535 887 HD22 LEU 111 HD22 LEU 111 2.762 -5.165 -15.385 888 HD23 LEU 111 HD23 LEU 111 1.689 -4.230 -16.447 889 H LYS 112 H LYS 112 1.113 -8.107 -12.047 890 HA LYS 112 HA LYS 112 0.729 -7.490 -9.187 891 HB2 LYS 112 HB1 LYS 112 -0.022 -9.523 -8.811 892 HB3 LYS 112 HB2 LYS 112 -0.649 -9.209 -10.422 893 HG2 LYS 112 HG1 LYS 112 1.213 -10.671 -11.324 894 HG3 LYS 112 HG2 LYS 112 1.677 -11.026 -9.641 895 HD2 LYS 112 HD1 LYS 112 -0.953 -11.694 -11.022 896 HD3 LYS 112 HD2 LYS 112 0.253 -12.834 -10.386 897 HE2 LYS 112 HE1 LYS 112 -0.228 -12.118 -8.096 898 HE3 LYS 112 HE2 LYS 112 -1.336 -10.854 -8.706 899 HZ1 LYS 112 HZ1 LYS 112 -1.780 -13.684 -8.462 900 HZ2 LYS 112 HZ2 LYS 112 -2.529 -12.852 -9.716 901 HZ3 LYS 112 HZ3 LYS 112 -2.768 -12.373 -8.177 902 H VAL 113 H VAL 113 1.904 -8.220 -7.551 903 HA VAL 113 HA VAL 113 4.757 -8.976 -8.059 904 HB VAL 113 HB VAL 113 5.500 -7.499 -6.277 905 HG11 VAL 113 HG11 VAL 113 3.992 -5.934 -8.419 906 HG12 VAL 113 HG12 VAL 113 5.380 -5.368 -7.477 907 HG13 VAL 113 HG13 VAL 113 5.582 -6.706 -8.619 908 HG21 VAL 113 HG21 VAL 113 3.454 -7.282 -4.917 909 HG22 VAL 113 HG22 VAL 113 4.082 -5.693 -5.361 910 HG23 VAL 113 HG23 VAL 113 2.670 -6.351 -6.210 911 H VAL 114 H VAL 114 5.792 -9.887 -6.204 912 HA VAL 114 HA VAL 114 3.970 -11.104 -4.220 913 HB VAL 114 HB VAL 114 4.689 -12.848 -5.712 914 HG11 VAL 114 HG11 VAL 114 7.567 -12.408 -4.820 915 HG12 VAL 114 HG12 VAL 114 6.948 -13.626 -5.942 916 HG13 VAL 114 HG13 VAL 114 6.914 -11.919 -6.402 917 HG21 VAL 114 HG21 VAL 114 5.469 -14.441 -4.019 918 HG22 VAL 114 HG22 VAL 114 5.965 -13.112 -2.952 919 HG23 VAL 114 HG23 VAL 114 4.248 -13.358 -3.334 920 H LEU 115 H LEU 115 4.279 -10.408 -2.269 921 HA LEU 115 HA LEU 115 6.882 -9.165 -1.404 922 HB2 LEU 115 HB1 LEU 115 4.104 -8.778 -0.253 923 HB3 LEU 115 HB2 LEU 115 5.576 -7.892 0.182 924 HG LEU 115 HG LEU 115 3.993 -7.695 -2.412 925 HD11 LEU 115 HD11 LEU 115 3.015 -6.575 -0.422 926 HD12 LEU 115 HD12 LEU 115 3.537 -5.410 -1.649 927 HD13 LEU 115 HD13 LEU 115 4.523 -5.667 -0.194 928 HD21 LEU 115 HD21 LEU 115 6.364 -7.422 -2.975 929 HD22 LEU 115 HD22 LEU 115 6.581 -6.268 -1.641 930 HD23 LEU 115 HD23 LEU 115 5.554 -5.853 -3.027 931 HA PRO 116 HA PRO 116 6.696 -12.445 1.799 932 HB2 PRO 116 HB1 PRO 116 8.612 -11.646 3.531 933 HB3 PRO 116 HB2 PRO 116 9.022 -12.221 1.885 934 HG2 PRO 116 HG1 PRO 116 8.695 -9.351 2.823 935 HG3 PRO 116 HG2 PRO 116 10.061 -10.055 1.888 936 HD2 PRO 116 HD1 PRO 116 7.971 -8.729 0.695 937 HD3 PRO 116 HD2 PRO 116 8.784 -10.114 -0.086 938 H VAL 117 H VAL 117 5.807 -12.748 3.892 939 HA VAL 117 HA VAL 117 4.660 -10.432 5.272 940 HB VAL 117 HB VAL 117 4.572 -13.406 5.875 941 HG11 VAL 117 HG11 VAL 117 4.221 -12.105 7.916 942 HG12 VAL 117 HG12 VAL 117 3.016 -11.094 7.096 943 HG13 VAL 117 HG13 VAL 117 2.696 -12.815 7.388 944 HG21 VAL 117 HG21 VAL 117 2.162 -13.182 5.119 945 HG22 VAL 117 HG22 VAL 117 2.523 -11.531 4.600 946 HG23 VAL 117 HG23 VAL 117 3.328 -12.920 3.825 947 H GLU 118 H GLU 118 5.298 -9.842 7.373 948 HA GLU 118 HA GLU 118 7.695 -10.963 8.638 949 HB2 GLU 118 HB1 GLU 118 7.930 -8.902 6.768 950 HB3 GLU 118 HB2 GLU 118 7.933 -8.031 8.294 951 HG2 GLU 118 HG1 GLU 118 9.702 -10.471 7.963 952 HG3 GLU 118 HG2 GLU 118 10.170 -8.929 7.193 953 H ALA 119 H ALA 119 8.087 -9.503 10.764 954 HA ALA 119 HA ALA 119 5.743 -10.270 12.167 955 HB1 ALA 119 HB1 ALA 119 8.045 -10.685 12.890 956 HB2 ALA 119 HB2 ALA 119 8.279 -8.940 13.153 957 HB3 ALA 119 HB3 ALA 119 7.108 -9.847 14.145 958 H ARG 120 H ARG 120 5.912 -7.468 10.680 959 HA ARG 120 HA ARG 120 3.962 -5.841 11.889 960 HB2 ARG 120 HB1 ARG 120 5.372 -4.042 12.826 961 HB3 ARG 120 HB2 ARG 120 5.475 -5.540 13.781 962 HG2 ARG 120 HG1 ARG 120 7.657 -4.863 13.724 963 HG3 ARG 120 HG2 ARG 120 7.631 -6.016 12.408 964 HD2 ARG 120 HD1 ARG 120 7.325 -3.895 10.883 965 HD3 ARG 120 HD2 ARG 120 7.795 -2.982 12.337 966 HE ARG 120 HE ARG 120 9.984 -3.703 12.039 967 HH11 ARG 120 HH12 ARG 120 7.953 -5.760 9.951 968 HH12 ARG 120 HH11 ARG 120 9.412 -6.701 9.530 969 HH21 ARG 120 HH22 ARG 120 11.664 -5.103 11.319 970 HH22 ARG 120 HH21 ARG 120 11.193 -6.400 10.222
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