NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629882 | 6gf2 | 27466 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -21.425 -0.014 -12.380 2 H2 GLY 1 H2 GLY 1 -21.961 0.069 -10.778 3 H3 GLY 1 H3 GLY 1 -22.010 1.446 -11.757 4 HA2 GLY 1 HA2 GLY 1 -23.656 0.418 -13.190 5 HA3 GLY 1 HA1 GLY 1 -23.596 -1.026 -12.190 6 H ALA 2 HN ALA 2 -23.396 0.399 -9.683 7 HA ALA 2 HA ALA 2 -25.874 1.933 -9.534 8 HB1 ALA 2 HB1 ALA 2 -26.801 0.551 -7.762 9 HB2 ALA 2 HB2 ALA 2 -26.561 -0.401 -9.228 10 HB3 ALA 2 HB3 ALA 2 -25.430 -0.552 -7.883 11 H MET 3 HN MET 3 -26.235 2.502 -7.070 12 HA MET 3 HA MET 3 -23.903 3.959 -6.274 13 HB2 MET 3 HB2 MET 3 -26.648 3.643 -5.070 14 HB3 MET 3 HB3 MET 3 -25.388 4.593 -4.296 15 HG2 MET 3 HG2 MET 3 -26.838 6.042 -5.538 16 HG3 MET 3 HG3 MET 3 -25.252 6.004 -6.306 17 HE1 MET 3 HE1 MET 3 -27.654 6.456 -9.358 18 HE2 MET 3 HE2 MET 3 -27.912 7.123 -7.747 19 HE3 MET 3 HE3 MET 3 -26.296 7.122 -8.451 20 H GLY 4 HN GLY 4 -22.299 3.227 -5.061 21 HA2 GLY 4 HA1 GLY 4 -22.545 1.925 -2.620 22 HA3 GLY 4 HA2 GLY 4 -22.346 0.668 -3.831 23 H ASP 5 HN ASP 5 -20.669 2.121 -1.586 24 HA ASP 5 HA ASP 5 -18.285 2.724 -3.163 25 HB2 ASP 5 HB2 ASP 5 -18.794 3.002 -0.192 26 HB3 ASP 5 HB3 ASP 5 -17.337 3.526 -1.032 27 H GLU 6 HN GLU 6 -16.838 1.207 -3.559 28 HA GLU 6 HA GLU 6 -16.672 -1.105 -1.742 29 HB2 GLU 6 HB2 GLU 6 -15.951 -0.889 -4.671 30 HB3 GLU 6 HB3 GLU 6 -15.696 -2.319 -3.680 31 HG2 GLU 6 HG2 GLU 6 -18.360 -1.063 -4.299 32 HG3 GLU 6 HG3 GLU 6 -17.699 -2.512 -5.054 33 H GLU 7 HN GLU 7 -14.607 0.767 -3.973 34 HA GLU 7 HA GLU 7 -12.152 -0.033 -2.975 35 HB2 GLU 7 HB2 GLU 7 -12.688 2.715 -4.045 36 HB3 GLU 7 HB3 GLU 7 -11.231 1.746 -4.198 37 HG2 GLU 7 HG2 GLU 7 -12.081 1.405 -6.227 38 HG3 GLU 7 HG3 GLU 7 -12.918 0.107 -5.405 39 H LEU 8 HN LEU 8 -10.631 1.018 -1.596 40 HA LEU 8 HA LEU 8 -11.808 2.890 0.340 41 HB2 LEU 8 HB2 LEU 8 -10.010 0.559 1.004 42 HB3 LEU 8 HB3 LEU 8 -10.604 1.748 2.147 43 HG LEU 8 HG LEU 8 -12.284 -0.254 0.634 44 HD11 LEU 8 HD11 LEU 8 -10.924 -1.205 2.448 45 HD12 LEU 8 HD12 LEU 8 -11.638 -0.045 3.570 46 HD13 LEU 8 HD13 LEU 8 -12.651 -1.266 2.800 47 HD21 LEU 8 HD21 LEU 8 -14.141 0.566 1.997 48 HD22 LEU 8 HD22 LEU 8 -13.094 1.810 2.679 49 HD23 LEU 8 HD23 LEU 8 -13.494 1.838 0.963 50 HA PRO 9 HA PRO 9 -8.230 5.329 -0.578 51 HB2 PRO 9 HB2 PRO 9 -8.505 6.513 2.099 52 HB3 PRO 9 HB3 PRO 9 -8.660 7.276 0.514 53 HG2 PRO 9 HG2 PRO 9 -10.795 6.851 2.090 54 HG3 PRO 9 HG3 PRO 9 -10.897 6.733 0.323 55 HD2 PRO 9 HD2 PRO 9 -10.689 4.542 2.361 56 HD3 PRO 9 HD3 PRO 9 -11.705 4.631 0.907 57 H LEU 10 HN LEU 10 -6.081 5.911 0.323 58 HA LEU 10 HA LEU 10 -5.138 4.339 2.568 59 HB2 LEU 10 HB2 LEU 10 -4.184 3.894 -0.253 60 HB3 LEU 10 HB3 LEU 10 -3.243 3.440 1.153 61 HG LEU 10 HG LEU 10 -6.019 2.409 0.658 62 HD11 LEU 10 HD11 LEU 10 -5.066 0.433 -0.293 63 HD12 LEU 10 HD12 LEU 10 -4.457 1.818 -1.193 64 HD13 LEU 10 HD13 LEU 10 -3.430 1.019 -0.002 65 HD21 LEU 10 HD21 LEU 10 -5.259 0.626 2.209 66 HD22 LEU 10 HD22 LEU 10 -3.776 1.542 2.470 67 HD23 LEU 10 HD23 LEU 10 -5.329 2.227 2.947 68 H PHE 11 HN PHE 11 -2.850 4.749 3.000 69 HA PHE 11 HA PHE 11 -2.028 7.441 2.135 70 HB2 PHE 11 HB2 PHE 11 -2.118 6.270 4.911 71 HB3 PHE 11 HB3 PHE 11 -1.149 7.689 4.525 72 HD1 PHE 11 HD1 PHE 11 -4.443 6.404 5.223 73 HD2 PHE 11 HD2 PHE 11 -2.286 9.770 3.782 74 HE1 PHE 11 HE1 PHE 11 -6.418 7.819 5.595 75 HE2 PHE 11 HE2 PHE 11 -4.256 11.197 4.148 76 HZ PHE 11 HZ PHE 11 -6.328 10.222 5.057 77 H LEU 12 HN LEU 12 -0.060 7.429 1.247 78 HA LEU 12 HA LEU 12 1.717 5.170 1.867 79 HB2 LEU 12 HB2 LEU 12 1.328 6.888 -0.531 80 HB3 LEU 12 HB3 LEU 12 2.925 6.227 -0.243 81 HG LEU 12 HG LEU 12 1.525 4.867 -1.790 82 HD11 LEU 12 HD11 LEU 12 2.058 2.719 -0.767 83 HD12 LEU 12 HD12 LEU 12 3.380 3.867 -0.555 84 HD13 LEU 12 HD13 LEU 12 2.298 3.511 0.790 85 HD21 LEU 12 HD21 LEU 12 -0.097 4.327 0.696 86 HD22 LEU 12 HD22 LEU 12 -0.638 5.244 -0.712 87 HD23 LEU 12 HD23 LEU 12 -0.286 3.522 -0.863 88 H VAL 13 HN VAL 13 3.269 5.543 3.276 89 HA VAL 13 HA VAL 13 4.403 8.256 3.443 90 HB VAL 13 HB VAL 13 4.589 6.159 5.598 91 HG11 VAL 13 HG11 VAL 13 6.203 7.954 5.729 92 HG12 VAL 13 HG12 VAL 13 4.918 9.154 5.597 93 HG13 VAL 13 HG13 VAL 13 5.014 8.120 7.022 94 HG21 VAL 13 HG21 VAL 13 2.715 7.246 6.724 95 HG22 VAL 13 HG22 VAL 13 2.502 8.326 5.344 96 HG23 VAL 13 HG23 VAL 13 2.219 6.595 5.161 97 H GLU 14 HN GLU 14 6.245 8.324 2.320 98 HA GLU 14 HA GLU 14 7.838 6.079 1.717 99 HB2 GLU 14 HB2 GLU 14 8.037 9.017 1.355 100 HB3 GLU 14 HB3 GLU 14 9.524 8.095 1.229 101 HG2 GLU 14 HG2 GLU 14 7.068 7.353 -0.309 102 HG3 GLU 14 HG3 GLU 14 8.222 8.543 -0.905 103 H SER 15 HN SER 15 9.253 5.040 2.914 104 HA SER 15 HA SER 15 9.889 5.780 5.558 105 HB2 SER 15 HB2 SER 15 9.911 3.445 4.822 106 HB3 SER 15 HB3 SER 15 11.270 3.784 3.751 107 HG SER 15 HG SER 15 11.775 2.856 5.882 108 H GLY 16 HN GLY 16 11.677 6.117 2.528 109 HA2 GLY 16 HA1 GLY 16 14.089 7.009 3.713 110 HA3 GLY 16 HA2 GLY 16 13.621 7.245 2.036 111 H ASP 17 HN ASP 17 11.168 8.673 2.724 112 HA ASP 17 HA ASP 17 12.093 11.055 4.114 113 HB2 ASP 17 HB2 ASP 17 11.227 11.091 1.216 114 HB3 ASP 17 HB3 ASP 17 11.421 12.528 2.215 115 H GLU 18 HN GLU 18 10.532 11.418 5.528 116 HA GLU 18 HA GLU 18 7.900 10.448 5.307 117 HB2 GLU 18 HB2 GLU 18 7.437 11.815 7.296 118 HB3 GLU 18 HB3 GLU 18 8.927 10.896 7.464 119 HG2 GLU 18 HG2 GLU 18 10.259 12.814 7.101 120 HG3 GLU 18 HG3 GLU 18 8.866 13.757 6.577 121 H ALA 19 HN ALA 19 9.401 13.270 4.074 122 HA ALA 19 HA ALA 19 7.178 15.000 3.941 123 HB1 ALA 19 HB1 ALA 19 9.469 15.783 3.651 124 HB2 ALA 19 HB2 ALA 19 9.596 14.878 2.143 125 HB3 ALA 19 HB3 ALA 19 8.468 16.228 2.269 126 H LYS 20 HN LYS 20 8.268 12.380 1.883 127 HA LYS 20 HA LYS 20 6.507 13.022 -0.275 128 HB2 LYS 20 HB2 LYS 20 7.746 10.325 0.166 129 HB3 LYS 20 HB3 LYS 20 7.350 11.116 -1.352 130 HG2 LYS 20 HG2 LYS 20 9.582 11.846 0.531 131 HG3 LYS 20 HG3 LYS 20 9.734 11.085 -1.054 132 HD2 LYS 20 HD2 LYS 20 8.701 13.117 -2.055 133 HD3 LYS 20 HD3 LYS 20 8.742 13.871 -0.461 134 HE2 LYS 20 HE2 LYS 20 11.182 13.599 -0.411 135 HE3 LYS 20 HE3 LYS 20 11.127 12.877 -2.019 136 HZ1 LYS 20 HZ1 LYS 20 11.725 15.207 -2.131 137 HZ2 LYS 20 HZ2 LYS 20 10.301 15.646 -1.330 138 HZ3 LYS 20 HZ3 LYS 20 10.225 14.956 -2.872 139 H ARG 21 HN ARG 21 4.402 13.060 0.364 140 HA ARG 21 HA ARG 21 3.291 10.536 1.393 141 HB2 ARG 21 HB2 ARG 21 3.012 13.260 2.352 142 HB3 ARG 21 HB3 ARG 21 1.449 12.543 1.980 143 HG2 ARG 21 HG2 ARG 21 3.471 11.115 3.652 144 HG3 ARG 21 HG3 ARG 21 2.317 12.263 4.341 145 HD2 ARG 21 HD2 ARG 21 1.453 9.996 2.575 146 HD3 ARG 21 HD3 ARG 21 1.651 9.801 4.316 147 HE ARG 21 HE ARG 21 -0.160 11.264 4.674 148 HH11 ARG 21 HH11 ARG 21 -1.086 11.283 0.781 149 HH12 ARG 21 HH12 ARG 21 0.444 10.660 1.300 150 HH21 ARG 21 HH21 ARG 21 -2.575 12.099 2.318 151 HH22 ARG 21 HH22 ARG 21 -2.172 12.094 4.002 152 H HIS 22 HN HIS 22 1.649 9.621 0.305 153 HA HIS 22 HA HIS 22 0.240 11.170 -1.740 154 HB2 HIS 22 HB2 HIS 22 0.887 8.561 -2.798 155 HB3 HIS 22 HB3 HIS 22 1.197 10.151 -3.491 156 HD2 HIS 22 HD2 HIS 22 3.114 7.219 -2.140 157 HE1 HIS 22 HE1 HIS 22 5.678 10.556 -1.791 158 H LEU 23 HN LEU 23 -1.852 10.870 -1.462 159 HA LEU 23 HA LEU 23 -2.851 8.494 -0.089 160 HB2 LEU 23 HB2 LEU 23 -3.550 10.942 0.373 161 HB3 LEU 23 HB3 LEU 23 -4.497 10.801 -1.091 162 HG LEU 23 HG LEU 23 -4.836 9.111 1.392 163 HD11 LEU 23 HD11 LEU 23 -6.894 10.325 1.708 164 HD12 LEU 23 HD12 LEU 23 -5.545 11.458 1.635 165 HD13 LEU 23 HD13 LEU 23 -6.605 11.258 0.239 166 HD21 LEU 23 HD21 LEU 23 -5.456 7.799 -0.511 167 HD22 LEU 23 HD22 LEU 23 -6.934 8.378 0.255 168 HD23 LEU 23 HD23 LEU 23 -6.344 9.149 -1.218 169 H LEU 24 HN LEU 24 -3.597 6.795 -1.190 170 HA LEU 24 HA LEU 24 -4.665 7.243 -3.899 171 HB2 LEU 24 HB2 LEU 24 -3.084 4.814 -3.111 172 HB3 LEU 24 HB3 LEU 24 -3.595 5.286 -4.714 173 HG LEU 24 HG LEU 24 -1.544 6.742 -3.049 174 HD11 LEU 24 HD11 LEU 24 -0.716 4.581 -3.744 175 HD12 LEU 24 HD12 LEU 24 -1.245 4.873 -5.402 176 HD13 LEU 24 HD13 LEU 24 0.053 5.845 -4.704 177 HD21 LEU 24 HD21 LEU 24 -2.786 8.185 -4.595 178 HD22 LEU 24 HD22 LEU 24 -1.105 7.991 -5.088 179 HD23 LEU 24 HD23 LEU 24 -2.378 7.104 -5.925 180 H GLN 25 HN GLN 25 -6.517 6.225 -4.383 181 HA GLN 25 HA GLN 25 -7.794 4.694 -2.262 182 HB2 GLN 25 HB2 GLN 25 -9.855 4.993 -3.483 183 HB3 GLN 25 HB3 GLN 25 -9.031 6.540 -3.378 184 HG2 GLN 25 HG2 GLN 25 -9.543 6.653 -5.556 185 HG3 GLN 25 HG3 GLN 25 -8.085 5.679 -5.737 186 HE21 GLN 25 HE21 GLN 25 -9.600 3.392 -4.437 187 HE22 GLN 25 HE22 GLN 25 -10.538 2.732 -5.722 188 H VAL 26 HN VAL 26 -7.827 2.567 -2.250 189 HA VAL 26 HA VAL 26 -7.916 1.054 -4.738 190 HB VAL 26 HB VAL 26 -5.913 0.270 -2.642 191 HG11 VAL 26 HG11 VAL 26 -4.963 -1.044 -4.490 192 HG12 VAL 26 HG12 VAL 26 -6.637 -1.479 -4.147 193 HG13 VAL 26 HG13 VAL 26 -6.256 -0.468 -5.541 194 HG21 VAL 26 HG21 VAL 26 -5.182 2.439 -3.397 195 HG22 VAL 26 HG22 VAL 26 -4.144 1.200 -4.102 196 HG23 VAL 26 HG23 VAL 26 -5.397 1.963 -5.081 197 H ARG 27 HN ARG 27 -9.064 -0.841 -4.535 198 HA ARG 27 HA ARG 27 -10.774 -1.178 -2.352 199 HB2 ARG 27 HB2 ARG 27 -9.948 -3.425 -4.183 200 HB3 ARG 27 HB3 ARG 27 -11.481 -3.215 -3.349 201 HG2 ARG 27 HG2 ARG 27 -12.073 -1.384 -4.769 202 HG3 ARG 27 HG3 ARG 27 -10.472 -1.402 -5.508 203 HD2 ARG 27 HD2 ARG 27 -10.899 -3.612 -6.431 204 HD3 ARG 27 HD3 ARG 27 -12.479 -3.648 -5.647 205 HE ARG 27 HE ARG 27 -12.194 -1.387 -7.360 206 HH11 ARG 27 HH11 ARG 27 -13.757 -4.777 -8.809 207 HH12 ARG 27 HH12 ARG 27 -12.843 -4.812 -7.339 208 HH21 ARG 27 HH21 ARG 27 -14.070 -2.802 -9.922 209 HH22 ARG 27 HH22 ARG 27 -13.395 -1.335 -9.297 210 H ARG 28 HN ARG 28 -10.830 -2.677 -0.689 211 HA ARG 28 HA ARG 28 -8.313 -3.258 0.507 212 HB2 ARG 28 HB2 ARG 28 -9.788 -4.568 2.155 213 HB3 ARG 28 HB3 ARG 28 -9.994 -2.829 2.071 214 HG2 ARG 28 HG2 ARG 28 -12.062 -2.972 1.182 215 HG3 ARG 28 HG3 ARG 28 -11.719 -4.484 0.331 216 HD2 ARG 28 HD2 ARG 28 -13.192 -5.109 2.034 217 HD3 ARG 28 HD3 ARG 28 -11.591 -5.528 2.646 218 HE ARG 28 HE ARG 28 -12.018 -3.016 3.593 219 HH11 ARG 28 HH11 ARG 28 -14.480 -5.660 5.317 220 HH12 ARG 28 HH12 ARG 28 -13.775 -6.020 3.777 221 HH21 ARG 28 HH21 ARG 28 -14.006 -3.679 6.366 222 HH22 ARG 28 HH22 ARG 28 -12.940 -2.535 5.620 223 H SER 29 HN SER 29 -10.692 -5.062 -1.299 224 HA SER 29 HA SER 29 -9.580 -7.634 -0.814 225 HB2 SER 29 HB2 SER 29 -11.894 -7.355 -1.592 226 HB3 SER 29 HB3 SER 29 -11.306 -6.659 -3.101 227 HG SER 29 HG SER 29 -11.562 -9.259 -2.396 228 H SER 30 HN SER 30 -8.482 -4.975 -2.536 229 HA SER 30 HA SER 30 -7.242 -6.282 -4.745 230 HB2 SER 30 HB2 SER 30 -6.393 -3.708 -3.403 231 HB3 SER 30 HB3 SER 30 -5.952 -4.244 -5.021 232 HG SER 30 HG SER 30 -7.658 -2.773 -5.145 233 H SER 31 HN SER 31 -5.390 -7.392 -4.827 234 HA SER 31 HA SER 31 -4.006 -7.896 -2.361 235 HB2 SER 31 HB2 SER 31 -2.732 -9.509 -3.584 236 HB3 SER 31 HB3 SER 31 -4.412 -9.665 -4.087 237 HG SER 31 HG SER 31 -3.838 -8.319 -5.909 238 H VAL 32 HN VAL 32 -1.817 -7.502 -1.988 239 HA VAL 32 HA VAL 32 -0.848 -5.014 -2.362 240 HB VAL 32 HB VAL 32 1.182 -5.722 -1.510 241 HG11 VAL 32 HG11 VAL 32 -0.513 -8.050 -0.702 242 HG12 VAL 32 HG12 VAL 32 0.705 -7.199 0.246 243 HG13 VAL 32 HG13 VAL 32 -0.823 -6.408 -0.140 244 HG21 VAL 32 HG21 VAL 32 0.751 -8.395 -2.821 245 HG22 VAL 32 HG22 VAL 32 1.910 -7.157 -3.304 246 HG23 VAL 32 HG23 VAL 32 2.106 -7.996 -1.764 247 H ALA 33 HN ALA 33 -0.635 -7.680 -4.624 248 HA ALA 33 HA ALA 33 1.395 -6.659 -6.283 249 HB1 ALA 33 HB1 ALA 33 -0.924 -8.417 -7.071 250 HB2 ALA 33 HB2 ALA 33 0.586 -8.209 -7.959 251 HB3 ALA 33 HB3 ALA 33 0.594 -8.982 -6.373 252 H GLN 34 HN GLN 34 -2.138 -6.262 -6.398 253 HA GLN 34 HA GLN 34 -2.023 -4.634 -8.779 254 HB2 GLN 34 HB2 GLN 34 -4.327 -5.098 -6.877 255 HB3 GLN 34 HB3 GLN 34 -4.432 -4.399 -8.486 256 HG2 GLN 34 HG2 GLN 34 -3.564 -7.212 -7.859 257 HG3 GLN 34 HG3 GLN 34 -5.162 -6.733 -8.429 258 HE21 GLN 34 HE21 GLN 34 -4.088 -4.697 -10.221 259 HE22 GLN 34 HE22 GLN 34 -3.413 -5.547 -11.564 260 H VAL 35 HN VAL 35 -2.374 -4.199 -5.334 261 HA VAL 35 HA VAL 35 -3.045 -1.476 -5.315 262 HB VAL 35 HB VAL 35 -1.527 -3.064 -3.235 263 HG11 VAL 35 HG11 VAL 35 -1.393 -0.624 -2.981 264 HG12 VAL 35 HG12 VAL 35 -3.156 -0.558 -2.945 265 HG13 VAL 35 HG13 VAL 35 -2.281 -1.405 -1.671 266 HG21 VAL 35 HG21 VAL 35 -3.645 -3.527 -2.212 267 HG22 VAL 35 HG22 VAL 35 -4.490 -2.523 -3.388 268 HG23 VAL 35 HG23 VAL 35 -3.732 -4.030 -3.899 269 H LYS 36 HN LYS 36 0.084 -3.130 -4.978 270 HA LYS 36 HA LYS 36 1.665 -0.822 -4.910 271 HB2 LYS 36 HB2 LYS 36 2.152 -3.716 -5.428 272 HB3 LYS 36 HB3 LYS 36 3.435 -2.562 -5.711 273 HG2 LYS 36 HG2 LYS 36 3.299 -3.729 -3.437 274 HG3 LYS 36 HG3 LYS 36 3.572 -2.000 -3.492 275 HD2 LYS 36 HD2 LYS 36 1.520 -1.488 -2.674 276 HD3 LYS 36 HD3 LYS 36 0.783 -2.945 -3.327 277 HE2 LYS 36 HE2 LYS 36 1.936 -4.273 -1.611 278 HE3 LYS 36 HE3 LYS 36 2.641 -2.800 -0.957 279 HZ1 LYS 36 HZ1 LYS 36 0.419 -1.996 -0.457 280 HZ2 LYS 36 HZ2 LYS 36 0.699 -3.481 0.303 281 HZ3 LYS 36 HZ3 LYS 36 -0.261 -3.412 -1.087 282 H ALA 37 HN ALA 37 0.238 -2.660 -7.502 283 HA ALA 37 HA ALA 37 1.818 -1.823 -9.647 284 HB1 ALA 37 HB1 ALA 37 -0.087 -2.255 -11.069 285 HB2 ALA 37 HB2 ALA 37 -0.032 -3.489 -9.811 286 HB3 ALA 37 HB3 ALA 37 -1.186 -2.161 -9.694 287 H MET 38 HN MET 38 -0.888 -0.308 -7.984 288 HA MET 38 HA MET 38 -0.904 2.071 -9.541 289 HB2 MET 38 HB2 MET 38 -1.838 1.839 -6.681 290 HB3 MET 38 HB3 MET 38 -2.414 2.948 -7.919 291 HG2 MET 38 HG2 MET 38 -3.190 0.868 -9.171 292 HG3 MET 38 HG3 MET 38 -2.925 0.013 -7.655 293 HE1 MET 38 HE1 MET 38 -5.481 -0.772 -7.658 294 HE2 MET 38 HE2 MET 38 -6.834 0.344 -7.846 295 HE3 MET 38 HE3 MET 38 -5.714 0.083 -9.184 296 H ILE 39 HN ILE 39 0.635 1.062 -6.519 297 HA ILE 39 HA ILE 39 1.711 3.487 -5.697 298 HB ILE 39 HB ILE 39 2.926 0.730 -5.458 299 HG12 ILE 39 HG12 ILE 39 0.750 0.836 -4.409 300 HG13 ILE 39 HG13 ILE 39 1.991 0.828 -3.159 301 HG21 ILE 39 HG21 ILE 39 3.606 3.285 -4.015 302 HG22 ILE 39 HG22 ILE 39 4.159 1.680 -3.533 303 HG23 ILE 39 HG23 ILE 39 4.652 2.353 -5.088 304 HD11 ILE 39 HD11 ILE 39 1.737 3.233 -2.884 305 HD12 ILE 39 HD12 ILE 39 0.506 3.250 -4.146 306 HD13 ILE 39 HD13 ILE 39 0.208 2.390 -2.635 307 H GLU 40 HN GLU 40 2.737 1.328 -8.254 308 HA GLU 40 HA GLU 40 5.264 2.638 -8.691 309 HB2 GLU 40 HB2 GLU 40 5.040 0.301 -9.296 310 HB3 GLU 40 HB3 GLU 40 3.684 0.664 -10.355 311 HG2 GLU 40 HG2 GLU 40 5.147 1.919 -11.832 312 HG3 GLU 40 HG3 GLU 40 6.510 1.618 -10.755 313 H THR 41 HN THR 41 2.011 2.779 -9.997 314 HA THR 41 HA THR 41 2.514 4.391 -12.225 315 HB THR 41 HB THR 41 -0.019 4.902 -10.797 316 HG1 THR 41 HG1 THR 41 -0.463 2.566 -11.779 317 HG21 THR 41 HG21 THR 41 -0.930 4.338 -13.017 318 HG22 THR 41 HG22 THR 41 0.698 3.925 -13.557 319 HG23 THR 41 HG23 THR 41 0.314 5.586 -13.103 320 H LYS 42 HN LYS 42 2.460 5.143 -8.848 321 HA LYS 42 HA LYS 42 2.441 8.013 -9.438 322 HB2 LYS 42 HB2 LYS 42 1.845 6.425 -6.967 323 HB3 LYS 42 HB3 LYS 42 2.215 8.146 -6.865 324 HG2 LYS 42 HG2 LYS 42 -0.019 8.337 -7.086 325 HG3 LYS 42 HG3 LYS 42 0.365 8.173 -8.802 326 HD2 LYS 42 HD2 LYS 42 0.124 5.679 -8.455 327 HD3 LYS 42 HD3 LYS 42 -0.638 6.074 -6.915 328 HE2 LYS 42 HE2 LYS 42 -2.308 7.427 -8.096 329 HE3 LYS 42 HE3 LYS 42 -1.556 7.006 -9.634 330 HZ1 LYS 42 HZ1 LYS 42 -2.072 4.676 -9.188 331 HZ2 LYS 42 HZ2 LYS 42 -3.474 5.622 -9.214 332 HZ3 LYS 42 HZ3 LYS 42 -2.830 5.107 -7.738 333 H THR 43 HN THR 43 4.341 5.541 -7.726 334 HA THR 43 HA THR 43 6.446 7.503 -7.215 335 HB THR 43 HB THR 43 7.545 5.803 -5.884 336 HG1 THR 43 HG1 THR 43 6.840 4.006 -7.252 337 HG21 THR 43 HG21 THR 43 5.805 7.067 -4.764 338 HG22 THR 43 HG22 THR 43 5.800 5.404 -4.178 339 HG23 THR 43 HG23 THR 43 4.579 5.934 -5.333 340 H GLY 44 HN GLY 44 5.976 4.426 -8.916 341 HA2 GLY 44 HA1 GLY 44 6.921 3.951 -11.029 342 HA3 GLY 44 HA2 GLY 44 8.150 5.171 -10.734 343 H ILE 45 HN ILE 45 7.890 3.395 -7.964 344 HA ILE 45 HA ILE 45 10.360 2.008 -8.489 345 HB ILE 45 HB ILE 45 8.622 1.737 -6.040 346 HG12 ILE 45 HG12 ILE 45 9.039 4.108 -6.428 347 HG13 ILE 45 HG13 ILE 45 9.965 3.547 -5.044 348 HG21 ILE 45 HG21 ILE 45 10.708 1.185 -4.925 349 HG22 ILE 45 HG22 ILE 45 10.413 0.092 -6.278 350 HG23 ILE 45 HG23 ILE 45 11.587 1.398 -6.438 351 HD11 ILE 45 HD11 ILE 45 11.027 4.022 -7.820 352 HD12 ILE 45 HD12 ILE 45 11.281 5.047 -6.408 353 HD13 ILE 45 HD13 ILE 45 11.965 3.422 -6.452 354 H ILE 46 HN ILE 46 10.584 -0.046 -9.153 355 HA ILE 46 HA ILE 46 8.469 -1.586 -10.068 356 HB ILE 46 HB ILE 46 10.149 -3.545 -9.853 357 HG12 ILE 46 HG12 ILE 46 11.994 -1.201 -9.345 358 HG13 ILE 46 HG13 ILE 46 11.554 -2.410 -8.143 359 HG21 ILE 46 HG21 ILE 46 9.631 -2.458 -11.935 360 HG22 ILE 46 HG22 ILE 46 10.710 -1.117 -11.545 361 HG23 ILE 46 HG23 ILE 46 11.369 -2.727 -11.831 362 HD11 ILE 46 HD11 ILE 46 12.569 -4.143 -9.564 363 HD12 ILE 46 HD12 ILE 46 13.074 -2.887 -10.692 364 HD13 ILE 46 HD13 ILE 46 13.721 -2.909 -9.052 365 HA PRO 47 HA PRO 47 6.474 -3.279 -6.491 366 HB2 PRO 47 HB2 PRO 47 6.164 -5.644 -8.286 367 HB3 PRO 47 HB3 PRO 47 4.955 -4.782 -7.345 368 HG2 PRO 47 HG2 PRO 47 5.073 -4.420 -9.951 369 HG3 PRO 47 HG3 PRO 47 4.808 -3.033 -8.874 370 HD2 PRO 47 HD2 PRO 47 7.305 -3.901 -10.271 371 HD3 PRO 47 HD3 PRO 47 6.667 -2.264 -10.018 372 H GLU 48 HN GLU 48 8.444 -5.523 -8.385 373 HA GLU 48 HA GLU 48 8.940 -7.477 -6.516 374 HB2 GLU 48 HB2 GLU 48 11.022 -7.940 -7.781 375 HB3 GLU 48 HB3 GLU 48 9.610 -7.742 -8.808 376 HG2 GLU 48 HG2 GLU 48 10.297 -5.516 -9.404 377 HG3 GLU 48 HG3 GLU 48 11.648 -5.597 -8.275 378 H THR 49 HN THR 49 9.992 -4.245 -6.328 379 HA THR 49 HA THR 49 12.000 -5.019 -4.316 380 HB THR 49 HB THR 49 12.714 -3.756 -6.547 381 HG1 THR 49 HG1 THR 49 14.481 -2.941 -5.307 382 HG21 THR 49 HG21 THR 49 12.853 -1.373 -6.268 383 HG22 THR 49 HG22 THR 49 12.113 -1.475 -4.670 384 HG23 THR 49 HG23 THR 49 11.165 -1.859 -6.109 385 H GLN 50 HN GLN 50 9.119 -3.359 -4.968 386 HA GLN 50 HA GLN 50 9.260 -1.363 -2.948 387 HB2 GLN 50 HB2 GLN 50 6.940 -2.596 -4.400 388 HB3 GLN 50 HB3 GLN 50 6.774 -1.264 -3.285 389 HG2 GLN 50 HG2 GLN 50 8.682 -0.358 -4.969 390 HG3 GLN 50 HG3 GLN 50 7.690 -1.322 -6.049 391 HE21 GLN 50 HE21 GLN 50 5.570 -0.732 -6.434 392 HE22 GLN 50 HE22 GLN 50 4.959 0.834 -6.037 393 H ILE 51 HN ILE 51 9.477 -1.893 -0.879 394 HA ILE 51 HA ILE 51 8.014 -4.194 0.189 395 HB ILE 51 HB ILE 51 10.046 -2.547 1.679 396 HG12 ILE 51 HG12 ILE 51 10.443 -4.846 -0.219 397 HG13 ILE 51 HG13 ILE 51 11.298 -3.314 -0.161 398 HG21 ILE 51 HG21 ILE 51 10.194 -4.466 3.126 399 HG22 ILE 51 HG22 ILE 51 8.503 -3.996 2.965 400 HG23 ILE 51 HG23 ILE 51 9.119 -5.388 2.075 401 HD11 ILE 51 HD11 ILE 51 12.725 -5.108 0.602 402 HD12 ILE 51 HD12 ILE 51 12.376 -4.001 1.928 403 HD13 ILE 51 HD13 ILE 51 11.544 -5.554 1.836 404 H VAL 52 HN VAL 52 5.959 -3.506 0.618 405 HA VAL 52 HA VAL 52 5.603 -1.017 2.081 406 HB VAL 52 HB VAL 52 3.690 -2.858 0.654 407 HG11 VAL 52 HG11 VAL 52 1.907 -1.311 1.286 408 HG12 VAL 52 HG12 VAL 52 2.616 -2.124 2.681 409 HG13 VAL 52 HG13 VAL 52 3.039 -0.450 2.331 410 HG21 VAL 52 HG21 VAL 52 3.255 -0.854 -0.702 411 HG22 VAL 52 HG22 VAL 52 4.455 0.030 0.238 412 HG23 VAL 52 HG23 VAL 52 4.951 -1.336 -0.761 413 H THR 53 HN THR 53 4.360 -0.996 4.037 414 HA THR 53 HA THR 53 4.055 -3.570 5.396 415 HB THR 53 HB THR 53 5.062 -1.808 7.359 416 HG1 THR 53 HG1 THR 53 7.198 -1.462 6.430 417 HG21 THR 53 HG21 THR 53 5.447 -4.047 7.732 418 HG22 THR 53 HG22 THR 53 7.041 -3.509 7.202 419 HG23 THR 53 HG23 THR 53 5.973 -4.345 6.075 420 H LEU 54 HN LEU 54 2.204 -3.712 6.292 421 HA LEU 54 HA LEU 54 0.550 -1.402 6.767 422 HB2 LEU 54 HB2 LEU 54 0.216 -4.274 6.514 423 HB3 LEU 54 HB3 LEU 54 -0.654 -3.655 7.898 424 HG LEU 54 HG LEU 54 -2.099 -3.746 5.987 425 HD11 LEU 54 HD11 LEU 54 -2.452 -1.919 7.566 426 HD12 LEU 54 HD12 LEU 54 -1.346 -0.901 6.642 427 HD13 LEU 54 HD13 LEU 54 -2.870 -1.425 5.926 428 HD21 LEU 54 HD21 LEU 54 -0.077 -1.976 4.659 429 HD22 LEU 54 HD22 LEU 54 -0.498 -3.629 4.218 430 HD23 LEU 54 HD23 LEU 54 -1.679 -2.336 4.017 431 H ASN 55 HN ASN 55 -0.797 -2.100 9.079 432 HA ASN 55 HA ASN 55 0.803 -1.033 11.079 433 HB2 ASN 55 HB2 ASN 55 -0.971 -2.237 12.603 434 HB3 ASN 55 HB3 ASN 55 -1.466 -0.918 11.544 435 HD21 ASN 55 HD21 ASN 55 -2.436 -1.456 9.517 436 HD22 ASN 55 HD22 ASN 55 -3.309 -2.933 9.334 437 H GLY 56 HN GLY 56 2.779 -1.995 11.330 438 HA2 GLY 56 HA1 GLY 56 4.323 -3.445 12.184 439 HA3 GLY 56 HA2 GLY 56 3.009 -4.167 13.096 440 H LYS 57 HN LYS 57 2.151 -4.428 9.894 441 HA LYS 57 HA LYS 57 3.323 -7.129 9.764 442 HB2 LYS 57 HB2 LYS 57 0.694 -6.057 8.830 443 HB3 LYS 57 HB3 LYS 57 1.387 -7.466 8.047 444 HG2 LYS 57 HG2 LYS 57 -0.209 -8.070 9.803 445 HG3 LYS 57 HG3 LYS 57 1.414 -8.661 10.158 446 HD2 LYS 57 HD2 LYS 57 1.767 -6.687 11.587 447 HD3 LYS 57 HD3 LYS 57 0.089 -6.238 11.321 448 HE2 LYS 57 HE2 LYS 57 0.852 -7.634 13.402 449 HE3 LYS 57 HE3 LYS 57 -0.707 -7.917 12.635 450 HZ1 LYS 57 HZ1 LYS 57 0.277 -9.751 11.412 451 HZ2 LYS 57 HZ2 LYS 57 0.484 -9.984 13.073 452 HZ3 LYS 57 HZ3 LYS 57 1.783 -9.459 12.126 453 H ARG 58 HN ARG 58 4.002 -7.955 7.731 454 HA ARG 58 HA ARG 58 4.962 -5.872 5.922 455 HB2 ARG 58 HB2 ARG 58 5.728 -8.767 6.262 456 HB3 ARG 58 HB3 ARG 58 6.346 -7.760 4.965 457 HG2 ARG 58 HG2 ARG 58 6.803 -6.289 7.262 458 HG3 ARG 58 HG3 ARG 58 7.176 -7.951 7.721 459 HD2 ARG 58 HD2 ARG 58 8.228 -6.665 5.217 460 HD3 ARG 58 HD3 ARG 58 9.088 -6.600 6.756 461 HE ARG 58 HE ARG 58 8.444 -9.272 6.162 462 HH11 ARG 58 HH11 ARG 58 11.759 -7.785 4.478 463 HH12 ARG 58 HH12 ARG 58 10.537 -6.709 5.070 464 HH21 ARG 58 HH21 ARG 58 11.481 -10.051 4.662 465 HH22 ARG 58 HH22 ARG 58 10.047 -10.695 5.388 466 H LEU 59 HN LEU 59 4.521 -5.873 3.738 467 HA LEU 59 HA LEU 59 2.052 -7.177 3.001 468 HB2 LEU 59 HB2 LEU 59 3.770 -5.057 1.785 469 HB3 LEU 59 HB3 LEU 59 2.562 -5.854 0.806 470 HG LEU 59 HG LEU 59 1.874 -3.691 1.842 471 HD11 LEU 59 HD11 LEU 59 -0.338 -4.614 2.684 472 HD12 LEU 59 HD12 LEU 59 0.134 -5.043 1.041 473 HD13 LEU 59 HD13 LEU 59 0.333 -6.209 2.349 474 HD21 LEU 59 HD21 LEU 59 1.454 -3.496 4.131 475 HD22 LEU 59 HD22 LEU 59 1.593 -5.237 4.387 476 HD23 LEU 59 HD23 LEU 59 3.031 -4.279 4.036 477 H GLU 60 HN GLU 60 2.010 -9.122 2.236 478 HA GLU 60 HA GLU 60 4.325 -10.173 0.765 479 HB2 GLU 60 HB2 GLU 60 2.051 -11.547 2.197 480 HB3 GLU 60 HB3 GLU 60 3.236 -12.399 1.220 481 HG2 GLU 60 HG2 GLU 60 3.835 -10.752 3.666 482 HG3 GLU 60 HG3 GLU 60 3.759 -12.513 3.599 483 H ASP 61 HN ASP 61 3.858 -11.680 -1.028 484 HA ASP 61 HA ASP 61 2.114 -10.460 -2.924 485 HB2 ASP 61 HB2 ASP 61 3.607 -13.088 -3.087 486 HB3 ASP 61 HB3 ASP 61 2.866 -12.241 -4.442 487 H GLY 62 HN GLY 62 0.172 -11.145 -3.738 488 HA2 GLY 62 HA1 GLY 62 -1.726 -12.464 -3.973 489 HA3 GLY 62 HA2 GLY 62 -0.965 -13.686 -2.965 490 H LYS 63 HN LYS 63 -0.471 -11.236 -1.076 491 HA LYS 63 HA LYS 63 -2.747 -11.756 0.588 492 HB2 LYS 63 HB2 LYS 63 -0.165 -10.307 0.802 493 HB3 LYS 63 HB3 LYS 63 -1.455 -9.787 1.864 494 HG2 LYS 63 HG2 LYS 63 0.049 -11.433 2.901 495 HG3 LYS 63 HG3 LYS 63 -1.621 -11.985 2.825 496 HD2 LYS 63 HD2 LYS 63 -1.066 -13.294 0.804 497 HD3 LYS 63 HD3 LYS 63 0.614 -12.776 0.958 498 HE2 LYS 63 HE2 LYS 63 -0.940 -14.379 2.986 499 HE3 LYS 63 HE3 LYS 63 0.276 -15.015 1.880 500 HZ1 LYS 63 HZ1 LYS 63 1.921 -13.589 2.945 501 HZ2 LYS 63 HZ2 LYS 63 1.207 -14.634 4.068 502 HZ3 LYS 63 HZ3 LYS 63 0.749 -13.006 4.017 503 H MET 64 HN MET 64 -4.520 -10.499 0.878 504 HA MET 64 HA MET 64 -4.758 -8.107 -0.777 505 HB2 MET 64 HB2 MET 64 -7.124 -8.812 0.731 506 HB3 MET 64 HB3 MET 64 -6.907 -8.663 -1.000 507 HG2 MET 64 HG2 MET 64 -5.948 -10.950 -1.023 508 HG3 MET 64 HG3 MET 64 -6.352 -11.082 0.686 509 HE1 MET 64 HE1 MET 64 -9.123 -9.567 0.867 510 HE2 MET 64 HE2 MET 64 -10.254 -10.900 0.636 511 HE3 MET 64 HE3 MET 64 -8.817 -11.125 1.633 512 H MET 65 HN MET 65 -5.604 -6.149 0.077 513 HA MET 65 HA MET 65 -4.456 -5.252 2.443 514 HB2 MET 65 HB2 MET 65 -7.068 -4.042 1.673 515 HB3 MET 65 HB3 MET 65 -5.573 -3.256 2.150 516 HG2 MET 65 HG2 MET 65 -4.820 -4.330 -0.193 517 HG3 MET 65 HG3 MET 65 -6.537 -4.070 -0.495 518 HE1 MET 65 HE1 MET 65 -6.776 -0.170 0.360 519 HE2 MET 65 HE2 MET 65 -7.715 -1.596 -0.076 520 HE3 MET 65 HE3 MET 65 -6.942 -1.500 1.506 521 H ALA 66 HN ALA 66 -7.684 -6.548 1.860 522 HA ALA 66 HA ALA 66 -8.764 -6.156 4.406 523 HB1 ALA 66 HB1 ALA 66 -10.401 -7.850 3.796 524 HB2 ALA 66 HB2 ALA 66 -10.099 -6.768 2.437 525 HB3 ALA 66 HB3 ALA 66 -9.381 -8.378 2.458 526 H ASP 67 HN ASP 67 -6.604 -8.614 3.159 527 HA ASP 67 HA ASP 67 -6.890 -10.517 5.204 528 HB2 ASP 67 HB2 ASP 67 -5.664 -10.980 3.126 529 HB3 ASP 67 HB3 ASP 67 -4.414 -9.835 3.601 530 H TYR 68 HN TYR 68 -5.357 -7.421 5.157 531 HA TYR 68 HA TYR 68 -3.923 -7.949 7.653 532 HB2 TYR 68 HB2 TYR 68 -3.952 -5.490 5.890 533 HB3 TYR 68 HB3 TYR 68 -2.921 -5.729 7.300 534 HD1 TYR 68 HD1 TYR 68 -3.599 -6.874 3.862 535 HD2 TYR 68 HD2 TYR 68 -0.934 -7.043 7.171 536 HE1 TYR 68 HE1 TYR 68 -1.925 -7.976 2.442 537 HE2 TYR 68 HE2 TYR 68 0.757 -8.141 5.761 538 HH TYR 68 HH TYR 68 0.829 -9.492 3.697 539 H GLY 69 HN GLY 69 -6.965 -7.237 6.880 540 HA2 GLY 69 HA1 GLY 69 -8.729 -6.273 7.984 541 HA3 GLY 69 HA2 GLY 69 -7.715 -6.338 9.421 542 H ILE 70 HN ILE 70 -7.126 -4.545 6.425 543 HA ILE 70 HA ILE 70 -6.471 -2.186 7.849 544 HB ILE 70 HB ILE 70 -6.103 -1.141 5.757 545 HG12 ILE 70 HG12 ILE 70 -7.886 -1.475 4.319 546 HG13 ILE 70 HG13 ILE 70 -6.680 -2.546 3.621 547 HG21 ILE 70 HG21 ILE 70 -5.393 -4.056 5.597 548 HG22 ILE 70 HG22 ILE 70 -4.673 -2.781 4.613 549 HG23 ILE 70 HG23 ILE 70 -4.459 -2.770 6.362 550 HD11 ILE 70 HD11 ILE 70 -8.944 -3.388 5.402 551 HD12 ILE 70 HD12 ILE 70 -8.867 -3.572 3.648 552 HD13 ILE 70 HD13 ILE 70 -7.740 -4.453 4.679 553 H ARG 71 HN ARG 71 -7.484 -0.047 6.896 554 HA ARG 71 HA ARG 71 -10.409 -0.233 7.032 555 HB2 ARG 71 HB2 ARG 71 -10.415 1.726 8.527 556 HB3 ARG 71 HB3 ARG 71 -9.593 0.349 9.244 557 HG2 ARG 71 HG2 ARG 71 -7.436 1.345 8.604 558 HG3 ARG 71 HG3 ARG 71 -8.300 2.755 7.988 559 HD2 ARG 71 HD2 ARG 71 -9.219 3.161 10.219 560 HD3 ARG 71 HD3 ARG 71 -8.353 1.755 10.833 561 HE ARG 71 HE ARG 71 -6.545 3.547 9.611 562 HH11 ARG 71 HH11 ARG 71 -7.468 4.150 13.461 563 HH12 ARG 71 HH12 ARG 71 -8.503 3.176 12.471 564 HH21 ARG 71 HH21 ARG 71 -5.579 5.089 12.575 565 HH22 ARG 71 HH22 ARG 71 -5.178 4.831 10.909 566 H LYS 72 HN LYS 72 -11.380 2.016 6.531 567 HA LYS 72 HA LYS 72 -10.605 2.756 3.927 568 HB2 LYS 72 HB2 LYS 72 -12.066 4.874 5.253 569 HB3 LYS 72 HB3 LYS 72 -12.555 3.850 3.915 570 HG2 LYS 72 HG2 LYS 72 -12.690 2.950 6.775 571 HG3 LYS 72 HG3 LYS 72 -14.014 3.790 5.968 572 HD2 LYS 72 HD2 LYS 72 -14.141 2.042 4.297 573 HD3 LYS 72 HD3 LYS 72 -12.763 1.215 5.027 574 HE2 LYS 72 HE2 LYS 72 -14.790 0.137 5.745 575 HE3 LYS 72 HE3 LYS 72 -14.065 0.981 7.112 576 HZ1 LYS 72 HZ1 LYS 72 -16.329 1.980 5.470 577 HZ2 LYS 72 HZ2 LYS 72 -15.631 2.791 6.781 578 HZ3 LYS 72 HZ3 LYS 72 -16.450 1.332 7.029 579 H GLY 73 HN GLY 73 -8.779 3.781 3.422 580 HA2 GLY 73 HA1 GLY 73 -7.166 5.436 3.425 581 HA3 GLY 73 HA2 GLY 73 -8.097 6.274 4.661 582 H ASN 74 HN ASN 74 -6.596 3.049 4.595 583 HA ASN 74 HA ASN 74 -5.613 3.389 7.261 584 HB2 ASN 74 HB2 ASN 74 -6.349 1.191 5.972 585 HB3 ASN 74 HB3 ASN 74 -4.651 1.168 5.510 586 HD21 ASN 74 HD21 ASN 74 -5.685 2.528 8.529 587 HD22 ASN 74 HD22 ASN 74 -5.062 1.278 9.541 588 H LEU 75 HN LEU 75 -3.427 3.277 7.909 589 HA LEU 75 HA LEU 75 -1.692 4.860 6.256 590 HB2 LEU 75 HB2 LEU 75 -1.473 3.699 9.011 591 HB3 LEU 75 HB3 LEU 75 -0.075 4.404 8.229 592 HG LEU 75 HG LEU 75 -2.630 5.801 9.014 593 HD11 LEU 75 HD11 LEU 75 -0.987 5.415 10.796 594 HD12 LEU 75 HD12 LEU 75 0.242 6.230 9.826 595 HD13 LEU 75 HD13 LEU 75 -1.159 7.129 10.414 596 HD21 LEU 75 HD21 LEU 75 -0.306 6.850 7.401 597 HD22 LEU 75 HD22 LEU 75 -1.973 6.668 6.857 598 HD23 LEU 75 HD23 LEU 75 -1.577 7.847 8.107 599 H LEU 76 HN LEU 76 -0.001 4.244 5.084 600 HA LEU 76 HA LEU 76 0.917 1.454 5.259 601 HB2 LEU 76 HB2 LEU 76 0.686 2.981 2.671 602 HB3 LEU 76 HB3 LEU 76 1.061 1.283 2.879 603 HG LEU 76 HG LEU 76 -1.612 2.564 3.456 604 HD11 LEU 76 HD11 LEU 76 -0.658 0.844 1.173 605 HD12 LEU 76 HD12 LEU 76 -2.343 1.254 1.485 606 HD13 LEU 76 HD13 LEU 76 -1.186 2.524 1.091 607 HD21 LEU 76 HD21 LEU 76 -0.772 -0.333 3.478 608 HD22 LEU 76 HD22 LEU 76 -1.159 0.641 4.896 609 HD23 LEU 76 HD23 LEU 76 -2.412 0.273 3.711 610 H PHE 77 HN PHE 77 3.103 1.164 5.121 611 HA PHE 77 HA PHE 77 4.708 3.620 4.855 612 HB2 PHE 77 HB2 PHE 77 5.187 1.084 6.422 613 HB3 PHE 77 HB3 PHE 77 6.471 2.244 6.101 614 HD1 PHE 77 HD1 PHE 77 6.651 4.246 7.332 615 HD2 PHE 77 HD2 PHE 77 3.210 1.780 7.767 616 HE1 PHE 77 HE1 PHE 77 5.957 5.565 9.289 617 HE2 PHE 77 HE2 PHE 77 2.508 3.098 9.725 618 HZ PHE 77 HZ PHE 77 3.885 4.993 10.488 619 H LEU 78 HN LEU 78 5.824 3.812 3.051 620 HA LEU 78 HA LEU 78 6.243 1.501 1.337 621 HB2 LEU 78 HB2 LEU 78 5.522 4.046 0.794 622 HB3 LEU 78 HB3 LEU 78 7.252 4.166 0.545 623 HG LEU 78 HG LEU 78 5.493 2.149 -0.842 624 HD11 LEU 78 HD11 LEU 78 4.879 4.443 -1.464 625 HD12 LEU 78 HD12 LEU 78 6.559 4.766 -1.888 626 HD13 LEU 78 HD13 LEU 78 5.634 3.573 -2.799 627 HD21 LEU 78 HD21 LEU 78 7.442 1.992 -2.375 628 HD22 LEU 78 HD22 LEU 78 8.350 3.008 -1.256 629 HD23 LEU 78 HD23 LEU 78 7.776 1.423 -0.741 630 H ALA 79 HN ALA 79 8.174 0.621 0.823 631 HA ALA 79 HA ALA 79 10.645 1.916 1.683 632 HB1 ALA 79 HB1 ALA 79 9.964 -0.911 2.484 633 HB2 ALA 79 HB2 ALA 79 11.470 -0.059 2.821 634 HB3 ALA 79 HB3 ALA 79 9.964 0.481 3.565 635 H SER 80 HN SER 80 12.585 0.551 0.892 636 HA SER 80 HA SER 80 11.968 -0.918 -1.561 637 HB2 SER 80 HB2 SER 80 13.612 0.393 -2.852 638 HB3 SER 80 HB3 SER 80 12.284 1.403 -2.283 639 HG SER 80 HG SER 80 13.776 1.853 -0.440 640 H TYR 81 HN TYR 81 13.474 -2.457 -2.130 641 HA TYR 81 HA TYR 81 15.074 -3.551 -0.129 642 HB2 TYR 81 HB2 TYR 81 14.774 -3.992 -3.048 643 HB3 TYR 81 HB3 TYR 81 16.230 -4.630 -2.295 644 HD1 TYR 81 HD1 TYR 81 12.572 -4.866 -2.447 645 HD2 TYR 81 HD2 TYR 81 16.118 -6.478 -0.741 646 HE1 TYR 81 HE1 TYR 81 11.307 -6.836 -1.698 647 HE2 TYR 81 HE2 TYR 81 14.864 -8.452 0.016 648 HH TYR 81 HH TYR 81 11.751 -9.186 -1.088 649 H SER 82 HN SER 82 17.348 -3.707 0.103 650 HA SER 82 HA SER 82 18.828 -1.457 -1.094 651 HB2 SER 82 HB2 SER 82 20.157 -1.367 0.990 652 HB3 SER 82 HB3 SER 82 18.445 -1.070 1.291 653 HG SER 82 HG SER 82 18.289 -2.921 2.339 654 H ILE 83 HN ILE 83 21.307 -1.867 -0.806 655 HA ILE 83 HA ILE 83 21.875 -4.301 -2.238 656 HB ILE 83 HB ILE 83 23.764 -2.157 -1.257 657 HG12 ILE 83 HG12 ILE 83 22.105 -1.291 -2.845 658 HG13 ILE 83 HG13 ILE 83 23.707 -1.336 -3.571 659 HG21 ILE 83 HG21 ILE 83 24.904 -4.270 -1.647 660 HG22 ILE 83 HG22 ILE 83 24.194 -4.371 -3.258 661 HG23 ILE 83 HG23 ILE 83 25.343 -3.087 -2.880 662 HD11 ILE 83 HD11 ILE 83 23.109 -3.384 -4.756 663 HD12 ILE 83 HD12 ILE 83 21.503 -3.334 -4.029 664 HD13 ILE 83 HD13 ILE 83 22.009 -2.061 -5.141 665 H GLY 84 HN GLY 84 23.666 -2.909 0.508 666 HA2 GLY 84 HA1 GLY 84 24.376 -3.879 2.480 667 HA3 GLY 84 HA2 GLY 84 23.303 -5.231 2.150 668 H GLY 85 HN GLY 85 24.104 -7.072 1.217 669 HA2 GLY 85 HA1 GLY 85 25.658 -8.554 0.378 670 HA3 GLY 85 HA2 GLY 85 26.662 -7.178 -0.055 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -25.347 3.639 0.831 2 H2 GLY 1 H2 GLY 1 -25.258 4.295 -0.725 3 H3 GLY 1 H3 GLY 1 -26.114 2.860 -0.461 4 HA2 GLY 1 HA2 GLY 1 -27.718 4.037 0.917 5 HA3 GLY 1 HA1 GLY 1 -26.832 5.527 0.631 6 H ALA 2 HN ALA 2 -26.249 4.959 -2.144 7 HA ALA 2 HA ALA 2 -28.854 4.738 -3.421 8 HB1 ALA 2 HB1 ALA 2 -28.671 7.114 -2.801 9 HB2 ALA 2 HB2 ALA 2 -27.181 7.226 -3.736 10 HB3 ALA 2 HB3 ALA 2 -28.705 6.876 -4.548 11 H MET 3 HN MET 3 -25.586 4.187 -3.370 12 HA MET 3 HA MET 3 -25.632 3.281 -6.150 13 HB2 MET 3 HB2 MET 3 -24.547 5.519 -6.115 14 HB3 MET 3 HB3 MET 3 -23.348 4.889 -4.993 15 HG2 MET 3 HG2 MET 3 -22.451 4.936 -7.227 16 HG3 MET 3 HG3 MET 3 -22.631 3.269 -6.686 17 HE1 MET 3 HE1 MET 3 -22.105 3.957 -9.653 18 HE2 MET 3 HE2 MET 3 -22.462 2.293 -9.194 19 HE3 MET 3 HE3 MET 3 -23.321 3.038 -10.543 20 H GLY 4 HN GLY 4 -23.268 3.517 -3.482 21 HA2 GLY 4 HA1 GLY 4 -23.058 1.292 -2.234 22 HA3 GLY 4 HA2 GLY 4 -22.744 0.637 -3.833 23 H ASP 5 HN ASP 5 -21.110 0.876 -1.302 24 HA ASP 5 HA ASP 5 -18.838 2.417 -2.350 25 HB2 ASP 5 HB2 ASP 5 -19.519 3.038 -0.096 26 HB3 ASP 5 HB3 ASP 5 -19.384 1.363 0.434 27 H GLU 6 HN GLU 6 -17.060 1.425 -3.062 28 HA GLU 6 HA GLU 6 -16.675 -1.418 -2.402 29 HB2 GLU 6 HB2 GLU 6 -16.187 -0.137 -5.096 30 HB3 GLU 6 HB3 GLU 6 -15.887 -1.819 -4.685 31 HG2 GLU 6 HG2 GLU 6 -18.273 -2.154 -4.298 32 HG3 GLU 6 HG3 GLU 6 -18.575 -0.465 -4.705 33 H GLU 7 HN GLU 7 -14.867 1.015 -4.266 34 HA GLU 7 HA GLU 7 -12.349 0.195 -3.330 35 HB2 GLU 7 HB2 GLU 7 -13.089 2.922 -4.397 36 HB3 GLU 7 HB3 GLU 7 -11.488 2.196 -4.383 37 HG2 GLU 7 HG2 GLU 7 -12.281 0.457 -5.921 38 HG3 GLU 7 HG3 GLU 7 -13.862 1.233 -5.961 39 H LEU 8 HN LEU 8 -10.875 1.288 -1.920 40 HA LEU 8 HA LEU 8 -12.147 3.045 0.064 41 HB2 LEU 8 HB2 LEU 8 -10.401 0.646 0.612 42 HB3 LEU 8 HB3 LEU 8 -10.777 1.864 1.814 43 HG LEU 8 HG LEU 8 -12.732 -0.001 0.470 44 HD11 LEU 8 HD11 LEU 8 -11.375 -1.038 2.209 45 HD12 LEU 8 HD12 LEU 8 -11.819 0.248 3.332 46 HD13 LEU 8 HD13 LEU 8 -13.050 -0.864 2.733 47 HD21 LEU 8 HD21 LEU 8 -14.385 1.013 2.041 48 HD22 LEU 8 HD22 LEU 8 -13.198 2.268 2.398 49 HD23 LEU 8 HD23 LEU 8 -13.841 2.101 0.764 50 HA PRO 9 HA PRO 9 -8.515 5.499 -0.386 51 HB2 PRO 9 HB2 PRO 9 -8.617 6.399 2.366 52 HB3 PRO 9 HB3 PRO 9 -9.095 7.265 0.907 53 HG2 PRO 9 HG2 PRO 9 -10.869 6.422 2.797 54 HG3 PRO 9 HG3 PRO 9 -11.285 6.622 1.085 55 HD2 PRO 9 HD2 PRO 9 -10.604 4.121 2.590 56 HD3 PRO 9 HD3 PRO 9 -11.867 4.389 1.373 57 H LEU 10 HN LEU 10 -6.334 5.884 0.437 58 HA LEU 10 HA LEU 10 -5.345 4.083 2.487 59 HB2 LEU 10 HB2 LEU 10 -4.523 3.926 -0.400 60 HB3 LEU 10 HB3 LEU 10 -3.508 3.329 0.897 61 HG LEU 10 HG LEU 10 -6.330 2.373 0.545 62 HD11 LEU 10 HD11 LEU 10 -4.998 2.039 -1.547 63 HD12 LEU 10 HD12 LEU 10 -3.868 1.068 -0.602 64 HD13 LEU 10 HD13 LEU 10 -5.543 0.548 -0.783 65 HD21 LEU 10 HD21 LEU 10 -4.008 0.890 1.719 66 HD22 LEU 10 HD22 LEU 10 -4.954 2.027 2.679 67 HD23 LEU 10 HD23 LEU 10 -5.734 0.621 1.955 68 H PHE 11 HN PHE 11 -2.906 4.402 2.741 69 HA PHE 11 HA PHE 11 -2.172 7.207 2.209 70 HB2 PHE 11 HB2 PHE 11 -2.306 5.748 4.793 71 HB3 PHE 11 HB3 PHE 11 -0.969 6.867 4.564 72 HD1 PHE 11 HD1 PHE 11 -4.422 6.483 5.350 73 HD2 PHE 11 HD2 PHE 11 -1.500 9.271 4.028 74 HE1 PHE 11 HE1 PHE 11 -5.890 8.320 6.036 75 HE2 PHE 11 HE2 PHE 11 -2.953 11.135 4.702 76 HZ PHE 11 HZ PHE 11 -5.162 10.664 5.711 77 H LEU 12 HN LEU 12 -0.331 7.270 1.072 78 HA LEU 12 HA LEU 12 1.547 5.046 1.328 79 HB2 LEU 12 HB2 LEU 12 0.686 5.992 -0.892 80 HB3 LEU 12 HB3 LEU 12 1.723 7.367 -0.578 81 HG LEU 12 HG LEU 12 2.650 5.642 -2.122 82 HD11 LEU 12 HD11 LEU 12 4.889 5.757 -1.249 83 HD12 LEU 12 HD12 LEU 12 4.057 7.275 -0.914 84 HD13 LEU 12 HD13 LEU 12 4.276 6.088 0.371 85 HD21 LEU 12 HD21 LEU 12 3.537 3.585 -1.222 86 HD22 LEU 12 HD22 LEU 12 2.951 4.005 0.387 87 HD23 LEU 12 HD23 LEU 12 1.804 3.668 -0.908 88 H VAL 13 HN VAL 13 2.805 5.362 3.122 89 HA VAL 13 HA VAL 13 3.906 8.033 3.602 90 HB VAL 13 HB VAL 13 4.134 5.583 5.354 91 HG11 VAL 13 HG11 VAL 13 5.847 7.221 5.804 92 HG12 VAL 13 HG12 VAL 13 4.643 8.508 5.878 93 HG13 VAL 13 HG13 VAL 13 4.660 7.244 7.107 94 HG21 VAL 13 HG21 VAL 13 2.156 7.857 5.498 95 HG22 VAL 13 HG22 VAL 13 1.792 6.184 5.072 96 HG23 VAL 13 HG23 VAL 13 2.342 6.580 6.701 97 H GLU 14 HN GLU 14 5.713 8.423 2.513 98 HA GLU 14 HA GLU 14 7.457 6.438 1.534 99 HB2 GLU 14 HB2 GLU 14 7.363 9.385 1.607 100 HB3 GLU 14 HB3 GLU 14 8.971 8.696 1.474 101 HG2 GLU 14 HG2 GLU 14 6.677 8.016 -0.344 102 HG3 GLU 14 HG3 GLU 14 7.893 9.242 -0.691 103 H SER 15 HN SER 15 9.210 5.490 2.362 104 HA SER 15 HA SER 15 9.748 5.627 5.133 105 HB2 SER 15 HB2 SER 15 10.148 3.584 3.852 106 HB3 SER 15 HB3 SER 15 11.385 4.405 2.901 107 HG SER 15 HG SER 15 11.950 3.053 4.901 108 H GLY 16 HN GLY 16 11.493 6.875 2.306 109 HA2 GLY 16 HA1 GLY 16 13.688 7.906 3.731 110 HA3 GLY 16 HA2 GLY 16 13.160 8.450 2.145 111 H ASP 17 HN ASP 17 10.497 9.175 3.127 112 HA ASP 17 HA ASP 17 10.970 11.284 5.065 113 HB2 ASP 17 HB2 ASP 17 10.088 11.878 2.231 114 HB3 ASP 17 HB3 ASP 17 10.025 13.032 3.558 115 H GLU 18 HN GLU 18 9.432 10.607 6.448 116 HA GLU 18 HA GLU 18 6.977 9.443 5.744 117 HB2 GLU 18 HB2 GLU 18 6.365 9.667 8.048 118 HB3 GLU 18 HB3 GLU 18 8.079 9.279 7.980 119 HG2 GLU 18 HG2 GLU 18 6.987 12.055 8.313 120 HG3 GLU 18 HG3 GLU 18 7.482 11.016 9.648 121 H ALA 19 HN ALA 19 7.997 12.650 5.529 122 HA ALA 19 HA ALA 19 5.525 13.970 6.031 123 HB1 ALA 19 HB1 ALA 19 7.897 14.912 4.425 124 HB2 ALA 19 HB2 ALA 19 6.581 15.920 5.029 125 HB3 ALA 19 HB3 ALA 19 7.679 15.130 6.161 126 H LYS 20 HN LYS 20 6.858 12.297 3.295 127 HA LYS 20 HA LYS 20 5.028 13.491 1.419 128 HB2 LYS 20 HB2 LYS 20 6.659 11.036 0.868 129 HB3 LYS 20 HB3 LYS 20 6.148 12.295 -0.247 130 HG2 LYS 20 HG2 LYS 20 8.275 12.503 1.870 131 HG3 LYS 20 HG3 LYS 20 8.507 12.482 0.121 132 HD2 LYS 20 HD2 LYS 20 7.192 14.590 -0.015 133 HD3 LYS 20 HD3 LYS 20 7.140 14.625 1.746 134 HE2 LYS 20 HE2 LYS 20 9.594 14.684 1.805 135 HE3 LYS 20 HE3 LYS 20 9.629 14.689 0.043 136 HZ1 LYS 20 HZ1 LYS 20 8.394 16.787 1.746 137 HZ2 LYS 20 HZ2 LYS 20 8.454 16.796 0.056 138 HZ3 LYS 20 HZ3 LYS 20 9.882 16.915 0.953 139 H ARG 21 HN ARG 21 2.967 12.958 2.142 140 HA ARG 21 HA ARG 21 2.316 10.086 2.135 141 HB2 ARG 21 HB2 ARG 21 0.707 12.340 3.347 142 HB3 ARG 21 HB3 ARG 21 0.350 10.622 3.460 143 HG2 ARG 21 HG2 ARG 21 1.431 10.676 5.395 144 HG3 ARG 21 HG3 ARG 21 2.910 10.791 4.434 145 HD2 ARG 21 HD2 ARG 21 2.831 12.536 6.131 146 HD3 ARG 21 HD3 ARG 21 2.777 13.221 4.507 147 HE ARG 21 HE ARG 21 0.153 12.923 5.333 148 HH11 ARG 21 HH11 ARG 21 2.076 16.007 7.014 149 HH12 ARG 21 HH12 ARG 21 2.980 14.691 6.342 150 HH21 ARG 21 HH21 ARG 21 -0.210 15.986 6.941 151 HH22 ARG 21 HH22 ARG 21 -1.045 14.655 6.213 152 H HIS 22 HN HIS 22 1.063 9.311 0.593 153 HA HIS 22 HA HIS 22 -0.499 11.211 -1.023 154 HB2 HIS 22 HB2 HIS 22 0.634 8.773 -2.313 155 HB3 HIS 22 HB3 HIS 22 0.324 10.368 -2.999 156 HD2 HIS 22 HD2 HIS 22 3.267 8.347 -2.294 157 HE1 HIS 22 HE1 HIS 22 4.460 12.259 -1.211 158 H LEU 23 HN LEU 23 -2.565 10.795 -0.758 159 HA LEU 23 HA LEU 23 -3.483 8.238 0.186 160 HB2 LEU 23 HB2 LEU 23 -4.380 10.546 0.831 161 HB3 LEU 23 HB3 LEU 23 -5.181 10.540 -0.721 162 HG LEU 23 HG LEU 23 -5.664 8.562 1.510 163 HD11 LEU 23 HD11 LEU 23 -6.522 10.797 1.995 164 HD12 LEU 23 HD12 LEU 23 -7.390 10.795 0.459 165 HD13 LEU 23 HD13 LEU 23 -7.829 9.644 1.720 166 HD21 LEU 23 HD21 LEU 23 -6.078 7.423 -0.523 167 HD22 LEU 23 HD22 LEU 23 -7.647 7.943 0.083 168 HD23 LEU 23 HD23 LEU 23 -6.874 8.826 -1.232 169 H LEU 24 HN LEU 24 -4.225 6.609 -1.009 170 HA LEU 24 HA LEU 24 -4.969 7.178 -3.803 171 HB2 LEU 24 HB2 LEU 24 -3.562 4.707 -2.821 172 HB3 LEU 24 HB3 LEU 24 -4.020 5.047 -4.473 173 HG LEU 24 HG LEU 24 -1.942 6.519 -2.854 174 HD11 LEU 24 HD11 LEU 24 -0.378 5.597 -4.464 175 HD12 LEU 24 HD12 LEU 24 -1.256 4.305 -3.646 176 HD13 LEU 24 HD13 LEU 24 -1.694 4.763 -5.290 177 HD21 LEU 24 HD21 LEU 24 -3.065 8.087 -4.284 178 HD22 LEU 24 HD22 LEU 24 -1.490 7.708 -4.981 179 HD23 LEU 24 HD23 LEU 24 -2.951 6.983 -5.653 180 H GLN 25 HN GLN 25 -6.735 6.208 -4.599 181 HA GLN 25 HA GLN 25 -8.484 4.883 -2.693 182 HB2 GLN 25 HB2 GLN 25 -10.267 5.306 -4.293 183 HB3 GLN 25 HB3 GLN 25 -9.392 6.770 -3.905 184 HG2 GLN 25 HG2 GLN 25 -9.401 5.211 -6.446 185 HG3 GLN 25 HG3 GLN 25 -9.760 6.910 -6.190 186 HE21 GLN 25 HE21 GLN 25 -7.261 4.537 -6.574 187 HE22 GLN 25 HE22 GLN 25 -5.956 5.638 -6.800 188 H VAL 26 HN VAL 26 -7.891 2.835 -2.564 189 HA VAL 26 HA VAL 26 -8.283 1.175 -4.948 190 HB VAL 26 HB VAL 26 -5.978 0.857 -3.028 191 HG11 VAL 26 HG11 VAL 26 -5.265 -0.956 -4.529 192 HG12 VAL 26 HG12 VAL 26 -6.814 -1.298 -3.757 193 HG13 VAL 26 HG13 VAL 26 -6.764 -0.768 -5.439 194 HG21 VAL 26 HG21 VAL 26 -5.613 2.696 -4.559 195 HG22 VAL 26 HG22 VAL 26 -4.570 1.338 -4.982 196 HG23 VAL 26 HG23 VAL 26 -6.023 1.664 -5.930 197 H ARG 27 HN ARG 27 -9.190 -0.832 -4.554 198 HA ARG 27 HA ARG 27 -10.836 -1.046 -2.275 199 HB2 ARG 27 HB2 ARG 27 -10.137 -3.357 -4.068 200 HB3 ARG 27 HB3 ARG 27 -11.631 -3.072 -3.188 201 HG2 ARG 27 HG2 ARG 27 -12.216 -1.278 -4.658 202 HG3 ARG 27 HG3 ARG 27 -10.644 -1.380 -5.452 203 HD2 ARG 27 HD2 ARG 27 -12.195 -2.487 -6.862 204 HD3 ARG 27 HD3 ARG 27 -11.226 -3.735 -6.089 205 HE ARG 27 HE ARG 27 -13.442 -3.416 -4.490 206 HH11 ARG 27 HH11 ARG 27 -14.234 -5.290 -7.938 207 HH12 ARG 27 HH12 ARG 27 -12.830 -4.285 -7.809 208 HH21 ARG 27 HH21 ARG 27 -15.634 -5.545 -6.146 209 HH22 ARG 27 HH22 ARG 27 -15.292 -4.735 -4.653 210 H ARG 28 HN ARG 28 -10.860 -2.528 -0.610 211 HA ARG 28 HA ARG 28 -8.314 -3.132 0.532 212 HB2 ARG 28 HB2 ARG 28 -9.788 -4.367 2.243 213 HB3 ARG 28 HB3 ARG 28 -9.943 -2.623 2.129 214 HG2 ARG 28 HG2 ARG 28 -12.032 -2.721 1.286 215 HG3 ARG 28 HG3 ARG 28 -11.754 -4.257 0.457 216 HD2 ARG 28 HD2 ARG 28 -13.195 -4.840 2.182 217 HD3 ARG 28 HD3 ARG 28 -11.599 -5.239 2.819 218 HE ARG 28 HE ARG 28 -12.067 -2.677 3.653 219 HH11 ARG 28 HH11 ARG 28 -14.389 -5.339 5.538 220 HH12 ARG 28 HH12 ARG 28 -13.700 -5.735 3.999 221 HH21 ARG 28 HH21 ARG 28 -13.975 -3.297 6.492 222 HH22 ARG 28 HH22 ARG 28 -12.972 -2.145 5.676 223 H SER 29 HN SER 29 -10.798 -4.921 -1.157 224 HA SER 29 HA SER 29 -9.741 -7.507 -0.630 225 HB2 SER 29 HB2 SER 29 -12.071 -7.166 -1.369 226 HB3 SER 29 HB3 SER 29 -11.486 -6.562 -2.918 227 HG SER 29 HG SER 29 -10.612 -8.603 -3.331 228 H SER 30 HN SER 30 -8.625 -4.923 -2.455 229 HA SER 30 HA SER 30 -7.428 -6.344 -4.620 230 HB2 SER 30 HB2 SER 30 -6.525 -3.730 -3.394 231 HB3 SER 30 HB3 SER 30 -6.115 -4.339 -4.995 232 HG SER 30 HG SER 30 -7.879 -2.751 -4.875 233 H SER 31 HN SER 31 -5.361 -7.158 -4.801 234 HA SER 31 HA SER 31 -4.086 -7.747 -2.259 235 HB2 SER 31 HB2 SER 31 -3.449 -8.744 -5.029 236 HB3 SER 31 HB3 SER 31 -2.719 -9.329 -3.538 237 HG SER 31 HG SER 31 -5.163 -9.621 -3.023 238 H VAL 32 HN VAL 32 -1.897 -7.396 -1.876 239 HA VAL 32 HA VAL 32 -0.890 -4.919 -2.241 240 HB VAL 32 HB VAL 32 1.108 -5.653 -1.344 241 HG11 VAL 32 HG11 VAL 32 0.588 -7.261 0.348 242 HG12 VAL 32 HG12 VAL 32 -0.845 -6.278 0.049 243 HG13 VAL 32 HG13 VAL 32 -0.741 -7.908 -0.615 244 HG21 VAL 32 HG21 VAL 32 1.870 -7.084 -3.123 245 HG22 VAL 32 HG22 VAL 32 2.001 -7.954 -1.594 246 HG23 VAL 32 HG23 VAL 32 0.672 -8.308 -2.700 247 H ALA 33 HN ALA 33 -0.661 -7.608 -4.480 248 HA ALA 33 HA ALA 33 1.421 -6.648 -6.100 249 HB1 ALA 33 HB1 ALA 33 0.575 -8.945 -6.195 250 HB2 ALA 33 HB2 ALA 33 -0.922 -8.358 -6.918 251 HB3 ALA 33 HB3 ALA 33 0.603 -8.188 -7.787 252 H GLN 34 HN GLN 34 -2.104 -6.199 -6.393 253 HA GLN 34 HA GLN 34 -1.823 -4.568 -8.757 254 HB2 GLN 34 HB2 GLN 34 -4.259 -5.028 -7.032 255 HB3 GLN 34 HB3 GLN 34 -4.242 -4.346 -8.650 256 HG2 GLN 34 HG2 GLN 34 -3.500 -7.160 -7.887 257 HG3 GLN 34 HG3 GLN 34 -4.972 -6.646 -8.709 258 HE21 GLN 34 HE21 GLN 34 -1.562 -7.208 -9.010 259 HE22 GLN 34 HE22 GLN 34 -1.490 -7.127 -10.734 260 H VAL 35 HN VAL 35 -2.409 -4.136 -5.347 261 HA VAL 35 HA VAL 35 -3.100 -1.418 -5.358 262 HB VAL 35 HB VAL 35 -1.708 -3.029 -3.209 263 HG11 VAL 35 HG11 VAL 35 -2.586 -1.369 -1.668 264 HG12 VAL 35 HG12 VAL 35 -1.506 -0.634 -2.853 265 HG13 VAL 35 HG13 VAL 35 -3.252 -0.458 -3.022 266 HG21 VAL 35 HG21 VAL 35 -4.640 -2.452 -3.610 267 HG22 VAL 35 HG22 VAL 35 -3.849 -3.994 -3.931 268 HG23 VAL 35 HG23 VAL 35 -3.929 -3.369 -2.284 269 H LYS 36 HN LYS 36 0.003 -3.021 -4.742 270 HA LYS 36 HA LYS 36 1.533 -0.674 -4.613 271 HB2 LYS 36 HB2 LYS 36 2.134 -3.579 -4.943 272 HB3 LYS 36 HB3 LYS 36 3.408 -2.395 -5.068 273 HG2 LYS 36 HG2 LYS 36 2.932 -3.525 -2.802 274 HG3 LYS 36 HG3 LYS 36 3.246 -1.802 -2.875 275 HD2 LYS 36 HD2 LYS 36 1.070 -1.226 -2.473 276 HD3 LYS 36 HD3 LYS 36 0.449 -2.773 -3.043 277 HE2 LYS 36 HE2 LYS 36 1.305 -3.868 -1.051 278 HE3 LYS 36 HE3 LYS 36 2.017 -2.349 -0.511 279 HZ1 LYS 36 HZ1 LYS 36 -0.206 -1.407 -0.354 280 HZ2 LYS 36 HZ2 LYS 36 -0.068 -2.785 0.617 281 HZ3 LYS 36 HZ3 LYS 36 -0.885 -2.872 -0.861 282 H ALA 37 HN ALA 37 0.391 -2.666 -7.231 283 HA ALA 37 HA ALA 37 2.145 -1.882 -9.259 284 HB1 ALA 37 HB1 ALA 37 -0.838 -2.295 -9.549 285 HB2 ALA 37 HB2 ALA 37 0.371 -2.401 -10.827 286 HB3 ALA 37 HB3 ALA 37 0.355 -3.595 -9.529 287 H MET 38 HN MET 38 -0.660 -0.355 -7.815 288 HA MET 38 HA MET 38 -0.687 1.969 -9.450 289 HB2 MET 38 HB2 MET 38 -1.618 1.860 -6.582 290 HB3 MET 38 HB3 MET 38 -2.224 2.879 -7.878 291 HG2 MET 38 HG2 MET 38 -2.515 -0.110 -7.842 292 HG3 MET 38 HG3 MET 38 -3.716 0.998 -7.185 293 HE1 MET 38 HE1 MET 38 -4.734 -1.026 -9.218 294 HE2 MET 38 HE2 MET 38 -5.707 0.316 -8.615 295 HE3 MET 38 HE3 MET 38 -5.630 -0.008 -10.347 296 H ILE 39 HN ILE 39 0.747 1.105 -6.339 297 HA ILE 39 HA ILE 39 1.826 3.544 -5.592 298 HB ILE 39 HB ILE 39 2.936 0.769 -5.176 299 HG12 ILE 39 HG12 ILE 39 0.776 0.985 -4.168 300 HG13 ILE 39 HG13 ILE 39 1.974 1.091 -2.883 301 HG21 ILE 39 HG21 ILE 39 3.755 3.384 -3.943 302 HG22 ILE 39 HG22 ILE 39 4.137 1.809 -3.241 303 HG23 ILE 39 HG23 ILE 39 4.757 2.238 -4.835 304 HD11 ILE 39 HD11 ILE 39 1.745 3.549 -2.936 305 HD12 ILE 39 HD12 ILE 39 0.462 3.369 -4.129 306 HD13 ILE 39 HD13 ILE 39 0.253 2.714 -2.505 307 H GLU 40 HN GLU 40 2.971 1.238 -7.981 308 HA GLU 40 HA GLU 40 5.505 2.530 -8.392 309 HB2 GLU 40 HB2 GLU 40 5.338 0.189 -8.922 310 HB3 GLU 40 HB3 GLU 40 3.962 0.469 -9.980 311 HG2 GLU 40 HG2 GLU 40 5.408 1.722 -11.513 312 HG3 GLU 40 HG3 GLU 40 6.783 1.406 -10.456 313 H THR 41 HN THR 41 2.293 2.660 -9.776 314 HA THR 41 HA THR 41 2.847 4.155 -12.066 315 HB THR 41 HB THR 41 0.314 4.738 -10.635 316 HG1 THR 41 HG1 THR 41 1.160 2.142 -11.410 317 HG21 THR 41 HG21 THR 41 0.970 3.759 -13.407 318 HG22 THR 41 HG22 THR 41 0.719 5.444 -12.947 319 HG23 THR 41 HG23 THR 41 -0.613 4.291 -12.846 320 H LYS 42 HN LYS 42 2.766 5.066 -8.725 321 HA LYS 42 HA LYS 42 2.825 7.905 -9.455 322 HB2 LYS 42 HB2 LYS 42 2.216 6.466 -6.895 323 HB3 LYS 42 HB3 LYS 42 2.598 8.186 -6.904 324 HG2 LYS 42 HG2 LYS 42 0.355 8.356 -7.106 325 HG3 LYS 42 HG3 LYS 42 0.742 8.137 -8.815 326 HD2 LYS 42 HD2 LYS 42 0.524 5.637 -8.324 327 HD3 LYS 42 HD3 LYS 42 -0.332 6.143 -6.867 328 HE2 LYS 42 HE2 LYS 42 -1.059 6.928 -9.688 329 HE3 LYS 42 HE3 LYS 42 -1.858 5.673 -8.743 330 HZ1 LYS 42 HZ1 LYS 42 -1.715 8.535 -7.965 331 HZ2 LYS 42 HZ2 LYS 42 -2.571 7.316 -7.163 332 HZ3 LYS 42 HZ3 LYS 42 -3.048 7.805 -8.710 333 H THR 43 HN THR 43 4.617 5.546 -7.451 334 HA THR 43 HA THR 43 6.778 7.457 -7.084 335 HB THR 43 HB THR 43 7.842 5.763 -5.687 336 HG1 THR 43 HG1 THR 43 6.638 3.770 -5.337 337 HG21 THR 43 HG21 THR 43 6.378 5.885 -3.883 338 HG22 THR 43 HG22 THR 43 4.950 5.706 -4.900 339 HG23 THR 43 HG23 THR 43 5.850 7.224 -4.900 340 H GLY 44 HN GLY 44 6.262 4.322 -8.666 341 HA2 GLY 44 HA1 GLY 44 7.205 3.762 -10.758 342 HA3 GLY 44 HA2 GLY 44 8.461 4.961 -10.493 343 H ILE 45 HN ILE 45 7.731 2.796 -7.902 344 HA ILE 45 HA ILE 45 10.335 1.522 -8.263 345 HB ILE 45 HB ILE 45 8.457 1.141 -5.937 346 HG12 ILE 45 HG12 ILE 45 8.850 3.544 -6.252 347 HG13 ILE 45 HG13 ILE 45 9.634 2.955 -4.797 348 HG21 ILE 45 HG21 ILE 45 11.439 0.851 -6.238 349 HG22 ILE 45 HG22 ILE 45 10.546 0.657 -4.731 350 HG23 ILE 45 HG23 ILE 45 10.267 -0.455 -6.070 351 HD11 ILE 45 HD11 ILE 45 11.048 4.523 -5.991 352 HD12 ILE 45 HD12 ILE 45 11.774 2.917 -5.971 353 HD13 ILE 45 HD13 ILE 45 10.981 3.508 -7.430 354 H ILE 46 HN ILE 46 10.504 -0.448 -9.158 355 HA ILE 46 HA ILE 46 8.344 -1.915 -10.109 356 HB ILE 46 HB ILE 46 10.051 -3.889 -10.062 357 HG12 ILE 46 HG12 ILE 46 11.884 -1.527 -9.609 358 HG13 ILE 46 HG13 ILE 46 11.558 -2.788 -8.424 359 HG21 ILE 46 HG21 ILE 46 9.356 -2.735 -12.063 360 HG22 ILE 46 HG22 ILE 46 10.459 -1.404 -11.714 361 HG23 ILE 46 HG23 ILE 46 11.098 -3.001 -12.099 362 HD11 ILE 46 HD11 ILE 46 12.893 -3.133 -11.093 363 HD12 ILE 46 HD12 ILE 46 13.656 -3.212 -9.505 364 HD13 ILE 46 HD13 ILE 46 12.491 -4.445 -9.986 365 HA PRO 47 HA PRO 47 6.439 -3.828 -6.606 366 HB2 PRO 47 HB2 PRO 47 6.213 -6.112 -8.521 367 HB3 PRO 47 HB3 PRO 47 4.983 -5.381 -7.496 368 HG2 PRO 47 HG2 PRO 47 5.007 -4.830 -10.067 369 HG3 PRO 47 HG3 PRO 47 4.722 -3.532 -8.891 370 HD2 PRO 47 HD2 PRO 47 7.195 -4.187 -10.428 371 HD3 PRO 47 HD3 PRO 47 6.516 -2.603 -10.014 372 H GLU 48 HN GLU 48 8.466 -5.968 -8.569 373 HA GLU 48 HA GLU 48 9.024 -7.927 -6.715 374 HB2 GLU 48 HB2 GLU 48 11.070 -8.372 -8.028 375 HB3 GLU 48 HB3 GLU 48 9.644 -8.152 -9.034 376 HG2 GLU 48 HG2 GLU 48 10.335 -5.880 -9.549 377 HG3 GLU 48 HG3 GLU 48 11.744 -6.063 -8.505 378 H THR 49 HN THR 49 9.995 -4.672 -6.502 379 HA THR 49 HA THR 49 12.059 -5.418 -4.537 380 HB THR 49 HB THR 49 12.777 -4.174 -6.742 381 HG1 THR 49 HG1 THR 49 14.513 -4.126 -5.550 382 HG21 THR 49 HG21 THR 49 11.165 -2.327 -6.483 383 HG22 THR 49 HG22 THR 49 12.834 -1.763 -6.516 384 HG23 THR 49 HG23 THR 49 11.966 -1.861 -4.984 385 H GLN 50 HN GLN 50 9.118 -3.855 -5.083 386 HA GLN 50 HA GLN 50 9.210 -1.772 -3.200 387 HB2 GLN 50 HB2 GLN 50 6.863 -3.388 -4.186 388 HB3 GLN 50 HB3 GLN 50 6.740 -1.907 -3.265 389 HG2 GLN 50 HG2 GLN 50 7.956 -0.744 -5.104 390 HG3 GLN 50 HG3 GLN 50 7.838 -2.234 -6.033 391 HE21 GLN 50 HE21 GLN 50 6.139 0.483 -4.741 392 HE22 GLN 50 HE22 GLN 50 4.669 0.243 -5.614 393 H ILE 51 HN ILE 51 9.601 -1.996 -1.102 394 HA ILE 51 HA ILE 51 8.524 -4.337 0.316 395 HB ILE 51 HB ILE 51 10.672 -2.404 1.213 396 HG12 ILE 51 HG12 ILE 51 11.392 -3.871 -0.611 397 HG13 ILE 51 HG13 ILE 51 12.231 -4.244 0.878 398 HG21 ILE 51 HG21 ILE 51 11.064 -4.048 2.990 399 HG22 ILE 51 HG22 ILE 51 9.479 -3.280 3.097 400 HG23 ILE 51 HG23 ILE 51 9.628 -4.919 2.464 401 HD11 ILE 51 HD11 ILE 51 9.970 -5.781 -0.373 402 HD12 ILE 51 HD12 ILE 51 11.656 -6.279 -0.237 403 HD13 ILE 51 HD13 ILE 51 10.661 -6.132 1.214 404 H VAL 52 HN VAL 52 6.484 -3.734 0.843 405 HA VAL 52 HA VAL 52 6.118 -1.168 2.197 406 HB VAL 52 HB VAL 52 3.615 -1.926 1.894 407 HG11 VAL 52 HG11 VAL 52 3.555 -0.678 -0.230 408 HG12 VAL 52 HG12 VAL 52 4.557 0.122 0.981 409 HG13 VAL 52 HG13 VAL 52 5.312 -0.792 -0.326 410 HG21 VAL 52 HG21 VAL 52 4.580 -3.047 -0.639 411 HG22 VAL 52 HG22 VAL 52 4.730 -4.050 0.804 412 HG23 VAL 52 HG23 VAL 52 3.156 -3.439 0.327 413 H THR 53 HN THR 53 4.459 -1.185 3.889 414 HA THR 53 HA THR 53 4.296 -3.603 5.479 415 HB THR 53 HB THR 53 5.168 -1.699 7.356 416 HG1 THR 53 HG1 THR 53 7.068 -0.937 6.545 417 HG21 THR 53 HG21 THR 53 6.318 -4.210 6.192 418 HG22 THR 53 HG22 THR 53 5.631 -3.935 7.797 419 HG23 THR 53 HG23 THR 53 7.218 -3.278 7.390 420 H LEU 54 HN LEU 54 2.543 -3.721 6.619 421 HA LEU 54 HA LEU 54 0.804 -1.383 6.831 422 HB2 LEU 54 HB2 LEU 54 0.428 -4.223 6.487 423 HB3 LEU 54 HB3 LEU 54 -0.439 -3.674 7.903 424 HG LEU 54 HG LEU 54 -1.858 -3.683 5.947 425 HD11 LEU 54 HD11 LEU 54 -1.197 -0.922 6.954 426 HD12 LEU 54 HD12 LEU 54 -2.656 -1.341 6.055 427 HD13 LEU 54 HD13 LEU 54 -2.365 -2.050 7.643 428 HD21 LEU 54 HD21 LEU 54 -0.303 -3.359 4.194 429 HD22 LEU 54 HD22 LEU 54 -1.449 -2.022 4.147 430 HD23 LEU 54 HD23 LEU 54 0.161 -1.778 4.822 431 H ASN 55 HN ASN 55 -0.654 -2.236 9.112 432 HA ASN 55 HA ASN 55 0.877 -1.142 11.175 433 HB2 ASN 55 HB2 ASN 55 -0.921 -2.451 12.619 434 HB3 ASN 55 HB3 ASN 55 -1.377 -1.055 11.646 435 HD21 ASN 55 HD21 ASN 55 -2.384 -1.407 9.625 436 HD22 ASN 55 HD22 ASN 55 -3.248 -2.869 9.304 437 H GLY 56 HN GLY 56 2.855 -2.079 11.469 438 HA2 GLY 56 HA1 GLY 56 4.412 -3.564 12.242 439 HA3 GLY 56 HA2 GLY 56 3.111 -4.239 13.211 440 H LYS 57 HN LYS 57 2.388 -4.380 9.906 441 HA LYS 57 HA LYS 57 3.292 -7.187 9.816 442 HB2 LYS 57 HB2 LYS 57 0.766 -5.884 8.987 443 HB3 LYS 57 HB3 LYS 57 1.358 -7.187 7.974 444 HG2 LYS 57 HG2 LYS 57 -0.284 -7.808 9.792 445 HG3 LYS 57 HG3 LYS 57 1.197 -8.759 9.704 446 HD2 LYS 57 HD2 LYS 57 1.972 -7.974 11.672 447 HD3 LYS 57 HD3 LYS 57 1.258 -6.380 11.448 448 HE2 LYS 57 HE2 LYS 57 -0.914 -7.220 12.026 449 HE3 LYS 57 HE3 LYS 57 -0.298 -8.868 12.129 450 HZ1 LYS 57 HZ1 LYS 57 -0.566 -7.785 14.310 451 HZ2 LYS 57 HZ2 LYS 57 0.586 -6.629 13.870 452 HZ3 LYS 57 HZ3 LYS 57 1.032 -8.256 14.012 453 H ARG 58 HN ARG 58 3.882 -8.053 7.767 454 HA ARG 58 HA ARG 58 5.049 -6.056 5.974 455 HB2 ARG 58 HB2 ARG 58 5.616 -8.991 6.366 456 HB3 ARG 58 HB3 ARG 58 6.319 -8.045 5.065 457 HG2 ARG 58 HG2 ARG 58 6.842 -6.573 7.342 458 HG3 ARG 58 HG3 ARG 58 7.087 -8.246 7.841 459 HD2 ARG 58 HD2 ARG 58 8.265 -7.118 5.321 460 HD3 ARG 58 HD3 ARG 58 9.100 -7.031 6.873 461 HE ARG 58 HE ARG 58 8.229 -9.676 6.105 462 HH11 ARG 58 HH11 ARG 58 12.039 -8.503 5.716 463 HH12 ARG 58 HH12 ARG 58 10.800 -7.325 5.996 464 HH21 ARG 58 HH21 ARG 58 11.503 -10.723 5.572 465 HH22 ARG 58 HH22 ARG 58 9.857 -11.233 5.740 466 H LEU 59 HN LEU 59 4.601 -6.048 3.788 467 HA LEU 59 HA LEU 59 2.072 -7.275 3.076 468 HB2 LEU 59 HB2 LEU 59 3.845 -5.229 1.820 469 HB3 LEU 59 HB3 LEU 59 2.571 -5.967 0.882 470 HG LEU 59 HG LEU 59 2.055 -3.749 1.931 471 HD11 LEU 59 HD11 LEU 59 0.346 -6.155 2.457 472 HD12 LEU 59 HD12 LEU 59 -0.207 -4.511 2.776 473 HD13 LEU 59 HD13 LEU 59 0.228 -4.992 1.137 474 HD21 LEU 59 HD21 LEU 59 3.179 -4.284 4.088 475 HD22 LEU 59 HD22 LEU 59 1.556 -3.616 4.249 476 HD23 LEU 59 HD23 LEU 59 1.820 -5.347 4.458 477 H GLU 60 HN GLU 60 1.952 -9.185 2.223 478 HA GLU 60 HA GLU 60 4.250 -10.301 0.786 479 HB2 GLU 60 HB2 GLU 60 1.808 -11.704 1.886 480 HB3 GLU 60 HB3 GLU 60 3.217 -12.480 1.178 481 HG2 GLU 60 HG2 GLU 60 4.606 -11.609 2.992 482 HG3 GLU 60 HG3 GLU 60 3.185 -10.844 3.703 483 H ASP 61 HN ASP 61 4.102 -11.046 -1.287 484 HA ASP 61 HA ASP 61 2.242 -9.857 -3.012 485 HB2 ASP 61 HB2 ASP 61 4.016 -12.258 -3.505 486 HB3 ASP 61 HB3 ASP 61 3.208 -11.312 -4.753 487 H GLY 62 HN GLY 62 0.237 -10.389 -3.581 488 HA2 GLY 62 HA1 GLY 62 -1.376 -11.995 -4.335 489 HA3 GLY 62 HA2 GLY 62 -0.614 -13.191 -3.300 490 H LYS 63 HN LYS 63 -0.490 -11.285 -1.021 491 HA LYS 63 HA LYS 63 -3.030 -11.932 0.102 492 HB2 LYS 63 HB2 LYS 63 -0.562 -11.360 1.140 493 HB3 LYS 63 HB3 LYS 63 -1.457 -9.892 1.505 494 HG2 LYS 63 HG2 LYS 63 -1.609 -11.415 3.358 495 HG3 LYS 63 HG3 LYS 63 -3.192 -11.249 2.602 496 HD2 LYS 63 HD2 LYS 63 -3.099 -13.368 1.648 497 HD3 LYS 63 HD3 LYS 63 -1.344 -13.461 1.800 498 HE2 LYS 63 HE2 LYS 63 -1.568 -13.631 4.232 499 HE3 LYS 63 HE3 LYS 63 -3.321 -13.539 4.076 500 HZ1 LYS 63 HZ1 LYS 63 -1.592 -15.685 2.970 501 HZ2 LYS 63 HZ2 LYS 63 -3.271 -15.594 2.797 502 HZ3 LYS 63 HZ3 LYS 63 -2.593 -15.818 4.329 503 H MET 64 HN MET 64 -4.652 -10.509 0.850 504 HA MET 64 HA MET 64 -4.910 -8.110 -0.802 505 HB2 MET 64 HB2 MET 64 -7.232 -8.740 0.782 506 HB3 MET 64 HB3 MET 64 -7.065 -8.635 -0.958 507 HG2 MET 64 HG2 MET 64 -6.177 -10.952 -0.955 508 HG3 MET 64 HG3 MET 64 -6.537 -11.032 0.766 509 HE1 MET 64 HE1 MET 64 -10.434 -10.681 0.805 510 HE2 MET 64 HE2 MET 64 -8.980 -10.904 1.778 511 HE3 MET 64 HE3 MET 64 -9.255 -9.376 0.940 512 H MET 65 HN MET 65 -5.651 -6.136 0.072 513 HA MET 65 HA MET 65 -4.423 -5.282 2.423 514 HB2 MET 65 HB2 MET 65 -6.990 -3.965 1.660 515 HB3 MET 65 HB3 MET 65 -5.470 -3.240 2.156 516 HG2 MET 65 HG2 MET 65 -4.704 -4.275 -0.175 517 HG3 MET 65 HG3 MET 65 -6.421 -4.047 -0.508 518 HE1 MET 65 HE1 MET 65 -7.647 -1.564 -0.123 519 HE2 MET 65 HE2 MET 65 -6.922 -1.533 1.483 520 HE3 MET 65 HE3 MET 65 -6.728 -0.155 0.401 521 H ALA 66 HN ALA 66 -7.715 -6.426 1.882 522 HA ALA 66 HA ALA 66 -8.754 -5.956 4.428 523 HB1 ALA 66 HB1 ALA 66 -10.154 -6.523 2.512 524 HB2 ALA 66 HB2 ALA 66 -9.478 -8.153 2.489 525 HB3 ALA 66 HB3 ALA 66 -10.454 -7.621 3.859 526 H ASP 67 HN ASP 67 -6.722 -8.533 3.199 527 HA ASP 67 HA ASP 67 -7.082 -10.366 5.299 528 HB2 ASP 67 HB2 ASP 67 -5.917 -10.895 3.170 529 HB3 ASP 67 HB3 ASP 67 -4.566 -9.890 3.684 530 H TYR 68 HN TYR 68 -5.362 -7.373 5.107 531 HA TYR 68 HA TYR 68 -3.896 -7.876 7.584 532 HB2 TYR 68 HB2 TYR 68 -3.920 -5.477 5.737 533 HB3 TYR 68 HB3 TYR 68 -2.873 -5.660 7.143 534 HD1 TYR 68 HD1 TYR 68 -3.576 -6.877 3.745 535 HD2 TYR 68 HD2 TYR 68 -0.956 -7.089 7.085 536 HE1 TYR 68 HE1 TYR 68 -1.903 -8.006 2.344 537 HE2 TYR 68 HE2 TYR 68 0.732 -8.216 5.707 538 HH TYR 68 HH TYR 68 0.528 -8.363 2.316 539 H GLY 69 HN GLY 69 -6.939 -7.186 6.942 540 HA2 GLY 69 HA1 GLY 69 -8.652 -6.135 8.044 541 HA3 GLY 69 HA2 GLY 69 -7.609 -6.213 9.456 542 H ILE 70 HN ILE 70 -7.021 -4.444 6.441 543 HA ILE 70 HA ILE 70 -6.319 -2.102 7.875 544 HB ILE 70 HB ILE 70 -5.900 -1.059 5.800 545 HG12 ILE 70 HG12 ILE 70 -7.662 -1.304 4.330 546 HG13 ILE 70 HG13 ILE 70 -6.505 -2.434 3.644 547 HG21 ILE 70 HG21 ILE 70 -4.334 -2.784 6.415 548 HG22 ILE 70 HG22 ILE 70 -5.290 -3.992 5.552 549 HG23 ILE 70 HG23 ILE 70 -4.492 -2.695 4.661 550 HD11 ILE 70 HD11 ILE 70 -8.702 -3.380 3.617 551 HD12 ILE 70 HD12 ILE 70 -7.678 -4.279 4.737 552 HD13 ILE 70 HD13 ILE 70 -8.866 -3.131 5.356 553 H ARG 71 HN ARG 71 -7.296 0.065 7.062 554 HA ARG 71 HA ARG 71 -10.225 -0.110 7.161 555 HB2 ARG 71 HB2 ARG 71 -10.183 1.878 8.651 556 HB3 ARG 71 HB3 ARG 71 -9.468 0.443 9.370 557 HG2 ARG 71 HG2 ARG 71 -7.267 1.280 9.033 558 HG3 ARG 71 HG3 ARG 71 -7.871 2.629 8.067 559 HD2 ARG 71 HD2 ARG 71 -8.519 2.166 10.976 560 HD3 ARG 71 HD3 ARG 71 -7.270 3.263 10.389 561 HE ARG 71 HE ARG 71 -9.604 4.002 9.115 562 HH11 ARG 71 HH11 ARG 71 -9.460 5.058 12.973 563 HH12 ARG 71 HH12 ARG 71 -8.466 3.762 12.398 564 HH21 ARG 71 HH21 ARG 71 -10.855 6.165 11.533 565 HH22 ARG 71 HH22 ARG 71 -10.918 5.709 9.864 566 H LYS 72 HN LYS 72 -11.256 2.036 6.607 567 HA LYS 72 HA LYS 72 -10.526 2.842 4.048 568 HB2 LYS 72 HB2 LYS 72 -11.928 4.890 5.637 569 HB3 LYS 72 HB3 LYS 72 -12.359 4.158 4.101 570 HG2 LYS 72 HG2 LYS 72 -12.785 2.952 6.827 571 HG3 LYS 72 HG3 LYS 72 -14.020 3.658 5.787 572 HD2 LYS 72 HD2 LYS 72 -13.149 1.897 4.065 573 HD3 LYS 72 HD3 LYS 72 -12.549 1.079 5.506 574 HE2 LYS 72 HE2 LYS 72 -15.397 1.903 4.977 575 HE3 LYS 72 HE3 LYS 72 -14.762 0.262 4.892 576 HZ1 LYS 72 HZ1 LYS 72 -15.881 0.625 6.984 577 HZ2 LYS 72 HZ2 LYS 72 -14.899 1.959 7.326 578 HZ3 LYS 72 HZ3 LYS 72 -14.225 0.409 7.260 579 H GLY 73 HN GLY 73 -8.639 3.739 3.549 580 HA2 GLY 73 HA1 GLY 73 -7.026 5.391 3.441 581 HA3 GLY 73 HA2 GLY 73 -7.889 6.263 4.703 582 H ASN 74 HN ASN 74 -6.429 3.017 4.584 583 HA ASN 74 HA ASN 74 -5.322 3.419 7.208 584 HB2 ASN 74 HB2 ASN 74 -6.215 1.198 6.046 585 HB3 ASN 74 HB3 ASN 74 -4.524 1.065 5.570 586 HD21 ASN 74 HD21 ASN 74 -5.372 2.693 8.496 587 HD22 ASN 74 HD22 ASN 74 -4.826 1.466 9.585 588 H LEU 75 HN LEU 75 -3.115 3.104 7.749 589 HA LEU 75 HA LEU 75 -1.357 4.608 6.043 590 HB2 LEU 75 HB2 LEU 75 -0.997 3.342 8.749 591 HB3 LEU 75 HB3 LEU 75 0.277 4.220 7.930 592 HG LEU 75 HG LEU 75 -2.374 5.377 8.795 593 HD11 LEU 75 HD11 LEU 75 0.412 5.652 9.906 594 HD12 LEU 75 HD12 LEU 75 -0.956 6.662 10.375 595 HD13 LEU 75 HD13 LEU 75 -0.986 4.929 10.700 596 HD21 LEU 75 HD21 LEU 75 0.026 6.649 7.484 597 HD22 LEU 75 HD22 LEU 75 -1.593 6.488 6.805 598 HD23 LEU 75 HD23 LEU 75 -1.322 7.538 8.195 599 H LEU 76 HN LEU 76 0.068 3.857 4.640 600 HA LEU 76 HA LEU 76 1.054 1.097 4.925 601 HB2 LEU 76 HB2 LEU 76 0.827 2.162 2.180 602 HB3 LEU 76 HB3 LEU 76 0.611 0.528 2.771 603 HG LEU 76 HG LEU 76 -1.444 2.695 3.168 604 HD11 LEU 76 HD11 LEU 76 -2.597 1.859 1.250 605 HD12 LEU 76 HD12 LEU 76 -0.953 2.258 0.759 606 HD13 LEU 76 HD13 LEU 76 -1.410 0.575 1.027 607 HD21 LEU 76 HD21 LEU 76 -1.611 -0.315 3.313 608 HD22 LEU 76 HD22 LEU 76 -1.576 0.778 4.695 609 HD23 LEU 76 HD23 LEU 76 -2.939 0.814 3.576 610 H PHE 77 HN PHE 77 3.125 1.425 5.505 611 HA PHE 77 HA PHE 77 4.637 3.673 4.552 612 HB2 PHE 77 HB2 PHE 77 5.424 1.238 6.165 613 HB3 PHE 77 HB3 PHE 77 6.531 2.549 5.780 614 HD1 PHE 77 HD1 PHE 77 6.297 4.723 6.824 615 HD2 PHE 77 HD2 PHE 77 3.652 1.527 7.774 616 HE1 PHE 77 HE1 PHE 77 5.531 5.953 8.813 617 HE2 PHE 77 HE2 PHE 77 2.881 2.751 9.763 618 HZ PHE 77 HZ PHE 77 3.815 4.969 10.282 619 H LEU 78 HN LEU 78 5.769 3.799 2.725 620 HA LEU 78 HA LEU 78 6.197 1.358 1.175 621 HB2 LEU 78 HB2 LEU 78 5.084 3.199 0.039 622 HB3 LEU 78 HB3 LEU 78 6.427 4.266 0.398 623 HG LEU 78 HG LEU 78 7.890 2.859 -1.026 624 HD11 LEU 78 HD11 LEU 78 6.687 0.751 -0.817 625 HD12 LEU 78 HD12 LEU 78 5.324 1.430 -1.707 626 HD13 LEU 78 HD13 LEU 78 6.879 1.206 -2.510 627 HD21 LEU 78 HD21 LEU 78 5.402 3.891 -2.381 628 HD22 LEU 78 HD22 LEU 78 6.812 4.851 -1.935 629 HD23 LEU 78 HD23 LEU 78 6.955 3.590 -3.160 630 H ALA 79 HN ALA 79 8.153 0.614 0.590 631 HA ALA 79 HA ALA 79 10.567 2.135 1.108 632 HB1 ALA 79 HB1 ALA 79 9.951 0.963 3.264 633 HB2 ALA 79 HB2 ALA 79 10.254 -0.556 2.417 634 HB3 ALA 79 HB3 ALA 79 11.559 0.613 2.627 635 H SER 80 HN SER 80 12.534 0.697 0.492 636 HA SER 80 HA SER 80 11.775 -1.107 -1.705 637 HB2 SER 80 HB2 SER 80 13.628 -0.220 -3.053 638 HB3 SER 80 HB3 SER 80 12.457 1.042 -2.668 639 HG SER 80 HG SER 80 15.090 0.852 -2.000 640 H TYR 81 HN TYR 81 13.516 -2.594 -2.358 641 HA TYR 81 HA TYR 81 14.467 -4.176 -0.362 642 HB2 TYR 81 HB2 TYR 81 14.872 -3.962 -3.167 643 HB3 TYR 81 HB3 TYR 81 16.438 -4.238 -2.417 644 HD1 TYR 81 HD1 TYR 81 13.028 -5.606 -2.818 645 HD2 TYR 81 HD2 TYR 81 17.004 -6.356 -1.509 646 HE1 TYR 81 HE1 TYR 81 12.507 -8.002 -2.628 647 HE2 TYR 81 HE2 TYR 81 16.497 -8.753 -1.316 648 HH TYR 81 HH TYR 81 13.690 -10.149 -2.627 649 H SER 82 HN SER 82 15.686 -3.674 1.334 650 HA SER 82 HA SER 82 18.286 -2.457 0.914 651 HB2 SER 82 HB2 SER 82 16.859 -0.498 1.267 652 HB3 SER 82 HB3 SER 82 16.242 -1.202 2.762 653 HG SER 82 HG SER 82 18.001 0.362 2.985 654 H ILE 83 HN ILE 83 15.938 -3.940 3.057 655 HA ILE 83 HA ILE 83 18.165 -5.095 4.598 656 HB ILE 83 HB ILE 83 15.509 -4.208 5.730 657 HG12 ILE 83 HG12 ILE 83 17.024 -2.328 5.238 658 HG13 ILE 83 HG13 ILE 83 16.803 -2.545 6.970 659 HG21 ILE 83 HG21 ILE 83 17.890 -5.490 7.060 660 HG22 ILE 83 HG22 ILE 83 16.494 -4.824 7.906 661 HG23 ILE 83 HG23 ILE 83 16.296 -6.208 6.831 662 HD11 ILE 83 HD11 ILE 83 19.120 -2.036 6.374 663 HD12 ILE 83 HD12 ILE 83 18.966 -3.620 7.134 664 HD13 ILE 83 HD13 ILE 83 19.181 -3.496 5.388 665 H GLY 84 HN GLY 84 14.759 -5.429 3.654 666 HA2 GLY 84 HA1 GLY 84 14.457 -8.106 4.512 667 HA3 GLY 84 HA2 GLY 84 13.444 -7.286 3.335 668 H GLY 85 HN GLY 85 16.210 -9.346 3.816 669 HA2 GLY 85 HA1 GLY 85 15.872 -10.692 1.376 670 HA3 GLY 85 HA2 GLY 85 17.138 -9.491 1.168 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -27.460 -5.339 1.238 2 H2 GLY 1 H2 GLY 1 -26.745 -6.230 -0.009 3 H3 GLY 1 H3 GLY 1 -26.205 -4.664 0.325 4 HA2 GLY 1 HA2 GLY 1 -25.945 -7.023 2.108 5 HA3 GLY 1 HA1 GLY 1 -24.645 -6.283 1.188 6 H ALA 2 HN ALA 2 -23.329 -5.493 2.725 7 HA ALA 2 HA ALA 2 -24.425 -4.095 5.025 8 HB1 ALA 2 HB1 ALA 2 -21.556 -4.668 4.290 9 HB2 ALA 2 HB2 ALA 2 -22.124 -4.015 5.826 10 HB3 ALA 2 HB3 ALA 2 -22.568 -5.654 5.346 11 H MET 3 HN MET 3 -21.659 -3.254 2.949 12 HA MET 3 HA MET 3 -22.677 -0.489 2.872 13 HB2 MET 3 HB2 MET 3 -19.861 -1.547 3.006 14 HB3 MET 3 HB3 MET 3 -20.209 0.091 2.472 15 HG2 MET 3 HG2 MET 3 -19.636 0.181 4.771 16 HG3 MET 3 HG3 MET 3 -21.368 0.479 4.640 17 HE1 MET 3 HE1 MET 3 -19.384 -2.928 4.428 18 HE2 MET 3 HE2 MET 3 -18.566 -2.031 5.705 19 HE3 MET 3 HE3 MET 3 -19.494 -3.477 6.099 20 H GLY 4 HN GLY 4 -22.849 0.530 0.939 21 HA2 GLY 4 HA1 GLY 4 -22.852 -1.069 -1.426 22 HA3 GLY 4 HA2 GLY 4 -23.171 0.657 -1.339 23 H ASP 5 HN ASP 5 -20.599 1.217 -0.030 24 HA ASP 5 HA ASP 5 -19.048 1.604 -2.384 25 HB2 ASP 5 HB2 ASP 5 -17.403 2.629 -0.901 26 HB3 ASP 5 HB3 ASP 5 -19.021 3.194 -0.500 27 H GLU 6 HN GLU 6 -17.073 0.705 -2.966 28 HA GLU 6 HA GLU 6 -16.434 -1.854 -1.652 29 HB2 GLU 6 HB2 GLU 6 -16.069 -1.109 -4.560 30 HB3 GLU 6 HB3 GLU 6 -15.641 -2.652 -3.835 31 HG2 GLU 6 HG2 GLU 6 -18.417 -1.513 -4.062 32 HG3 GLU 6 HG3 GLU 6 -17.733 -2.800 -5.054 33 H GLU 7 HN GLU 7 -14.944 0.623 -3.744 34 HA GLU 7 HA GLU 7 -12.290 0.004 -3.012 35 HB2 GLU 7 HB2 GLU 7 -13.304 2.667 -4.016 36 HB3 GLU 7 HB3 GLU 7 -11.670 2.031 -4.151 37 HG2 GLU 7 HG2 GLU 7 -12.496 0.257 -5.629 38 HG3 GLU 7 HG3 GLU 7 -14.119 0.933 -5.512 39 H LEU 8 HN LEU 8 -10.845 1.089 -1.640 40 HA LEU 8 HA LEU 8 -12.078 2.846 0.372 41 HB2 LEU 8 HB2 LEU 8 -10.182 0.550 0.859 42 HB3 LEU 8 HB3 LEU 8 -10.592 1.749 2.068 43 HG LEU 8 HG LEU 8 -12.445 -0.275 0.817 44 HD11 LEU 8 HD11 LEU 8 -10.951 -1.099 2.588 45 HD12 LEU 8 HD12 LEU 8 -11.570 0.152 3.669 46 HD13 LEU 8 HD13 LEU 8 -12.645 -1.116 3.080 47 HD21 LEU 8 HD21 LEU 8 -14.173 0.662 2.307 48 HD22 LEU 8 HD22 LEU 8 -13.072 1.976 2.723 49 HD23 LEU 8 HD23 LEU 8 -13.657 1.806 1.069 50 HA PRO 9 HA PRO 9 -8.501 5.365 -0.251 51 HB2 PRO 9 HB2 PRO 9 -8.529 6.492 2.366 52 HB3 PRO 9 HB3 PRO 9 -9.281 7.140 0.909 53 HG2 PRO 9 HG2 PRO 9 -10.655 6.201 3.127 54 HG3 PRO 9 HG3 PRO 9 -11.341 6.382 1.503 55 HD2 PRO 9 HD2 PRO 9 -10.300 3.929 2.862 56 HD3 PRO 9 HD3 PRO 9 -11.696 4.109 1.783 57 H LEU 10 HN LEU 10 -6.300 5.829 0.439 58 HA LEU 10 HA LEU 10 -5.231 4.218 2.608 59 HB2 LEU 10 HB2 LEU 10 -4.341 3.904 -0.256 60 HB3 LEU 10 HB3 LEU 10 -3.461 3.298 1.131 61 HG LEU 10 HG LEU 10 -6.290 2.462 0.722 62 HD11 LEU 10 HD11 LEU 10 -4.862 2.198 -1.406 63 HD12 LEU 10 HD12 LEU 10 -4.009 0.950 -0.499 64 HD13 LEU 10 HD13 LEU 10 -5.738 0.791 -0.806 65 HD21 LEU 10 HD21 LEU 10 -3.877 1.092 1.895 66 HD22 LEU 10 HD22 LEU 10 -5.156 1.891 2.808 67 HD23 LEU 10 HD23 LEU 10 -5.520 0.452 1.857 68 H PHE 11 HN PHE 11 -2.905 4.623 2.916 69 HA PHE 11 HA PHE 11 -2.125 7.326 2.059 70 HB2 PHE 11 HB2 PHE 11 -2.168 6.190 4.846 71 HB3 PHE 11 HB3 PHE 11 -1.186 7.589 4.424 72 HD1 PHE 11 HD1 PHE 11 -4.303 6.491 5.599 73 HD2 PHE 11 HD2 PHE 11 -2.487 9.552 3.269 74 HE1 PHE 11 HE1 PHE 11 -6.250 7.936 5.992 75 HE2 PHE 11 HE2 PHE 11 -4.434 11.008 3.656 76 HZ PHE 11 HZ PHE 11 -6.319 10.200 5.020 77 H LEU 12 HN LEU 12 -0.405 6.937 0.800 78 HA LEU 12 HA LEU 12 1.501 4.862 1.454 79 HB2 LEU 12 HB2 LEU 12 0.679 5.502 -0.882 80 HB3 LEU 12 HB3 LEU 12 1.690 6.924 -0.736 81 HG LEU 12 HG LEU 12 2.694 5.080 -2.050 82 HD11 LEU 12 HD11 LEU 12 4.055 6.811 -0.919 83 HD12 LEU 12 HD12 LEU 12 4.234 5.720 0.456 84 HD13 LEU 12 HD13 LEU 12 4.895 5.273 -1.116 85 HD21 LEU 12 HD21 LEU 12 2.831 3.662 0.604 86 HD22 LEU 12 HD22 LEU 12 1.807 3.205 -0.757 87 HD23 LEU 12 HD23 LEU 12 3.562 3.119 -0.906 88 H VAL 13 HN VAL 13 2.735 5.407 3.205 89 HA VAL 13 HA VAL 13 3.828 8.114 3.374 90 HB VAL 13 HB VAL 13 4.081 5.896 5.403 91 HG11 VAL 13 HG11 VAL 13 4.535 7.746 6.955 92 HG12 VAL 13 HG12 VAL 13 5.721 7.664 5.654 93 HG13 VAL 13 HG13 VAL 13 4.447 8.882 5.610 94 HG21 VAL 13 HG21 VAL 13 2.231 6.998 6.597 95 HG22 VAL 13 HG22 VAL 13 2.007 8.080 5.222 96 HG23 VAL 13 HG23 VAL 13 1.729 6.348 5.036 97 H GLU 14 HN GLU 14 5.684 8.425 2.323 98 HA GLU 14 HA GLU 14 7.468 6.370 1.593 99 HB2 GLU 14 HB2 GLU 14 7.443 9.324 1.470 100 HB3 GLU 14 HB3 GLU 14 9.027 8.565 1.431 101 HG2 GLU 14 HG2 GLU 14 6.779 7.794 -0.397 102 HG3 GLU 14 HG3 GLU 14 7.975 9.022 -0.795 103 H SER 15 HN SER 15 8.926 5.324 2.734 104 HA SER 15 HA SER 15 9.365 5.732 5.464 105 HB2 SER 15 HB2 SER 15 11.205 4.101 5.227 106 HB3 SER 15 HB3 SER 15 9.744 3.569 4.395 107 HG SER 15 HG SER 15 10.665 4.018 2.466 108 H GLY 16 HN GLY 16 11.379 6.633 2.683 109 HA2 GLY 16 HA1 GLY 16 13.527 7.664 4.154 110 HA3 GLY 16 HA2 GLY 16 13.112 8.133 2.511 111 H ASP 17 HN ASP 17 10.572 9.225 3.008 112 HA ASP 17 HA ASP 17 10.961 11.329 4.984 113 HB2 ASP 17 HB2 ASP 17 10.511 11.924 2.049 114 HB3 ASP 17 HB3 ASP 17 10.510 13.116 3.345 115 H GLU 18 HN GLU 18 9.150 11.232 6.129 116 HA GLU 18 HA GLU 18 6.748 10.063 5.314 117 HB2 GLU 18 HB2 GLU 18 6.891 12.226 7.403 118 HB3 GLU 18 HB3 GLU 18 5.815 10.837 7.342 119 HG2 GLU 18 HG2 GLU 18 7.786 9.369 7.699 120 HG3 GLU 18 HG3 GLU 18 8.767 10.819 7.912 121 H ALA 19 HN ALA 19 7.994 13.258 4.862 122 HA ALA 19 HA ALA 19 5.595 14.643 4.378 123 HB1 ALA 19 HB1 ALA 19 6.989 16.318 3.300 124 HB2 ALA 19 HB2 ALA 19 7.745 15.750 4.788 125 HB3 ALA 19 HB3 ALA 19 8.331 15.177 3.227 126 H LYS 20 HN LYS 20 7.633 12.660 2.307 127 HA LYS 20 HA LYS 20 6.177 13.334 -0.073 128 HB2 LYS 20 HB2 LYS 20 8.105 11.046 0.253 129 HB3 LYS 20 HB3 LYS 20 7.680 11.902 -1.222 130 HG2 LYS 20 HG2 LYS 20 9.336 12.917 1.071 131 HG3 LYS 20 HG3 LYS 20 9.860 12.594 -0.582 132 HD2 LYS 20 HD2 LYS 20 8.229 14.369 -1.317 133 HD3 LYS 20 HD3 LYS 20 8.025 14.777 0.385 134 HE2 LYS 20 HE2 LYS 20 10.416 15.246 0.564 135 HE3 LYS 20 HE3 LYS 20 10.630 14.825 -1.135 136 HZ1 LYS 20 HZ1 LYS 20 10.488 17.223 -0.793 137 HZ2 LYS 20 HZ2 LYS 20 8.944 17.051 -0.123 138 HZ3 LYS 20 HZ3 LYS 20 9.208 16.664 -1.748 139 H ARG 21 HN ARG 21 4.241 12.572 1.503 140 HA ARG 21 HA ARG 21 3.716 9.735 0.969 141 HB2 ARG 21 HB2 ARG 21 1.969 9.901 2.673 142 HB3 ARG 21 HB3 ARG 21 3.517 10.415 3.300 143 HG2 ARG 21 HG2 ARG 21 2.217 12.064 4.140 144 HG3 ARG 21 HG3 ARG 21 2.638 12.786 2.582 145 HD2 ARG 21 HD2 ARG 21 0.562 11.587 1.713 146 HD3 ARG 21 HD3 ARG 21 0.107 11.430 3.407 147 HE ARG 21 HE ARG 21 0.690 14.089 3.063 148 HH11 ARG 21 HH11 ARG 21 -2.726 13.010 1.271 149 HH12 ARG 21 HH12 ARG 21 -1.525 11.814 1.624 150 HH21 ARG 21 HH21 ARG 21 -2.364 15.201 1.822 151 HH22 ARG 21 HH22 ARG 21 -0.888 15.670 2.597 152 H HIS 22 HN HIS 22 1.598 9.108 0.164 153 HA HIS 22 HA HIS 22 0.087 11.222 -1.185 154 HB2 HIS 22 HB2 HIS 22 0.686 8.824 -2.837 155 HB3 HIS 22 HB3 HIS 22 0.453 10.500 -3.327 156 HD2 HIS 22 HD2 HIS 22 3.234 8.054 -3.134 157 HE1 HIS 22 HE1 HIS 22 5.019 11.821 -2.402 158 H LEU 23 HN LEU 23 -2.039 10.902 -1.115 159 HA LEU 23 HA LEU 23 -3.082 8.454 0.052 160 HB2 LEU 23 HB2 LEU 23 -3.803 10.880 0.589 161 HB3 LEU 23 HB3 LEU 23 -4.706 10.794 -0.909 162 HG LEU 23 HG LEU 23 -5.110 8.982 1.476 163 HD11 LEU 23 HD11 LEU 23 -6.786 11.251 0.421 164 HD12 LEU 23 HD12 LEU 23 -7.209 10.185 1.760 165 HD13 LEU 23 HD13 LEU 23 -5.827 11.272 1.902 166 HD21 LEU 23 HD21 LEU 23 -7.188 8.335 0.252 167 HD22 LEU 23 HD22 LEU 23 -6.560 9.186 -1.158 168 HD23 LEU 23 HD23 LEU 23 -5.697 7.790 -0.513 169 H LEU 24 HN LEU 24 -3.797 6.805 -1.118 170 HA LEU 24 HA LEU 24 -4.850 7.342 -3.811 171 HB2 LEU 24 HB2 LEU 24 -3.211 4.928 -3.076 172 HB3 LEU 24 HB3 LEU 24 -3.816 5.345 -4.661 173 HG LEU 24 HG LEU 24 -1.709 6.875 -3.136 174 HD11 LEU 24 HD11 LEU 24 -1.498 5.050 -5.530 175 HD12 LEU 24 HD12 LEU 24 -0.186 6.013 -4.852 176 HD13 LEU 24 HD13 LEU 24 -0.905 4.712 -3.904 177 HD21 LEU 24 HD21 LEU 24 -2.723 7.216 -5.955 178 HD22 LEU 24 HD22 LEU 24 -3.092 8.283 -4.602 179 HD23 LEU 24 HD23 LEU 24 -1.435 8.143 -5.187 180 H GLN 25 HN GLN 25 -6.685 6.288 -4.343 181 HA GLN 25 HA GLN 25 -7.911 4.679 -2.237 182 HB2 GLN 25 HB2 GLN 25 -10.029 5.132 -3.266 183 HB3 GLN 25 HB3 GLN 25 -9.146 6.645 -3.153 184 HG2 GLN 25 HG2 GLN 25 -9.820 6.887 -5.275 185 HG3 GLN 25 HG3 GLN 25 -8.420 5.873 -5.622 186 HE21 GLN 25 HE21 GLN 25 -9.891 3.571 -4.318 187 HE22 GLN 25 HE22 GLN 25 -10.960 3.009 -5.546 188 H VAL 26 HN VAL 26 -7.947 2.572 -2.367 189 HA VAL 26 HA VAL 26 -8.336 1.217 -4.908 190 HB VAL 26 HB VAL 26 -6.191 0.002 -3.270 191 HG11 VAL 26 HG11 VAL 26 -6.997 -1.081 -5.272 192 HG12 VAL 26 HG12 VAL 26 -6.620 0.352 -6.230 193 HG13 VAL 26 HG13 VAL 26 -5.319 -0.581 -5.490 194 HG21 VAL 26 HG21 VAL 26 -5.389 2.261 -3.211 195 HG22 VAL 26 HG22 VAL 26 -4.443 1.373 -4.406 196 HG23 VAL 26 HG23 VAL 26 -5.717 2.474 -4.930 197 H ARG 27 HN ARG 27 -9.187 -0.895 -4.652 198 HA ARG 27 HA ARG 27 -10.809 -1.252 -2.386 199 HB2 ARG 27 HB2 ARG 27 -9.998 -3.466 -4.258 200 HB3 ARG 27 HB3 ARG 27 -11.486 -3.321 -3.336 201 HG2 ARG 27 HG2 ARG 27 -12.238 -1.520 -4.709 202 HG3 ARG 27 HG3 ARG 27 -10.682 -1.457 -5.534 203 HD2 ARG 27 HD2 ARG 27 -11.057 -3.697 -6.430 204 HD3 ARG 27 HD3 ARG 27 -12.602 -3.781 -5.586 205 HE ARG 27 HE ARG 27 -12.264 -1.587 -7.462 206 HH11 ARG 27 HH11 ARG 27 -14.657 -4.724 -8.147 207 HH12 ARG 27 HH12 ARG 27 -13.528 -4.772 -6.835 208 HH21 ARG 27 HH21 ARG 27 -14.779 -2.874 -9.491 209 HH22 ARG 27 HH22 ARG 27 -13.746 -1.515 -9.194 210 H ARG 28 HN ARG 28 -10.693 -2.556 -0.652 211 HA ARG 28 HA ARG 28 -8.139 -3.193 0.399 212 HB2 ARG 28 HB2 ARG 28 -9.595 -4.474 2.128 213 HB3 ARG 28 HB3 ARG 28 -9.679 -2.724 2.070 214 HG2 ARG 28 HG2 ARG 28 -11.798 -2.705 1.316 215 HG3 ARG 28 HG3 ARG 28 -11.603 -4.196 0.388 216 HD2 ARG 28 HD2 ARG 28 -11.413 -5.326 2.685 217 HD3 ARG 28 HD3 ARG 28 -12.133 -3.845 3.315 218 HE ARG 28 HE ARG 28 -13.916 -4.407 1.492 219 HH11 ARG 28 HH11 ARG 28 -13.557 -7.790 3.606 220 HH12 ARG 28 HH12 ARG 28 -12.254 -6.649 3.582 221 HH21 ARG 28 HH21 ARG 28 -15.477 -7.367 2.434 222 HH22 ARG 28 HH22 ARG 28 -15.633 -5.905 1.519 223 H SER 29 HN SER 29 -10.653 -5.007 -1.214 224 HA SER 29 HA SER 29 -9.570 -7.582 -0.711 225 HB2 SER 29 HB2 SER 29 -11.914 -7.270 -1.398 226 HB3 SER 29 HB3 SER 29 -11.377 -6.653 -2.958 227 HG SER 29 HG SER 29 -11.954 -9.055 -2.577 228 H SER 30 HN SER 30 -8.539 -5.004 -2.628 229 HA SER 30 HA SER 30 -7.365 -6.454 -4.781 230 HB2 SER 30 HB2 SER 30 -6.479 -3.805 -3.619 231 HB3 SER 30 HB3 SER 30 -6.060 -4.444 -5.206 232 HG SER 30 HG SER 30 -8.271 -3.084 -4.440 233 H SER 31 HN SER 31 -5.506 -7.565 -4.842 234 HA SER 31 HA SER 31 -4.103 -8.016 -2.401 235 HB2 SER 31 HB2 SER 31 -3.371 -8.839 -5.206 236 HB3 SER 31 HB3 SER 31 -2.668 -9.481 -3.726 237 HG SER 31 HG SER 31 -5.301 -9.704 -3.542 238 H VAL 32 HN VAL 32 -1.924 -7.566 -2.006 239 HA VAL 32 HA VAL 32 -1.052 -5.024 -2.236 240 HB VAL 32 HB VAL 32 1.048 -5.737 -1.471 241 HG11 VAL 32 HG11 VAL 32 0.557 -7.265 0.286 242 HG12 VAL 32 HG12 VAL 32 -0.890 -6.302 -0.008 243 HG13 VAL 32 HG13 VAL 32 -0.790 -7.953 -0.620 244 HG21 VAL 32 HG21 VAL 32 1.885 -8.053 -1.719 245 HG22 VAL 32 HG22 VAL 32 0.494 -8.410 -2.742 246 HG23 VAL 32 HG23 VAL 32 1.688 -7.222 -3.262 247 H ALA 33 HN ALA 33 -0.671 -7.575 -4.617 248 HA ALA 33 HA ALA 33 1.347 -6.397 -6.182 249 HB1 ALA 33 HB1 ALA 33 -0.862 -8.240 -7.082 250 HB2 ALA 33 HB2 ALA 33 0.651 -7.924 -7.932 251 HB3 ALA 33 HB3 ALA 33 0.672 -8.747 -6.372 252 H GLN 34 HN GLN 34 -2.170 -6.013 -6.235 253 HA GLN 34 HA GLN 34 -2.163 -4.446 -8.640 254 HB2 GLN 34 HB2 GLN 34 -4.337 -4.795 -6.574 255 HB3 GLN 34 HB3 GLN 34 -4.541 -4.113 -8.180 256 HG2 GLN 34 HG2 GLN 34 -3.722 -6.941 -7.557 257 HG3 GLN 34 HG3 GLN 34 -5.323 -6.414 -8.074 258 HE21 GLN 34 HE21 GLN 34 -3.445 -8.289 -9.311 259 HE22 GLN 34 HE22 GLN 34 -3.166 -7.693 -10.909 260 H VAL 35 HN VAL 35 -2.586 -3.731 -5.186 261 HA VAL 35 HA VAL 35 -3.030 -0.999 -5.452 262 HB VAL 35 HB VAL 35 -1.638 -1.521 -3.019 263 HG11 VAL 35 HG11 VAL 35 -3.666 -0.802 -2.035 264 HG12 VAL 35 HG12 VAL 35 -3.516 0.076 -3.556 265 HG13 VAL 35 HG13 VAL 35 -4.595 -1.316 -3.446 266 HG21 VAL 35 HG21 VAL 35 -3.046 -3.259 -2.048 267 HG22 VAL 35 HG22 VAL 35 -3.778 -3.547 -3.623 268 HG23 VAL 35 HG23 VAL 35 -2.063 -3.891 -3.366 269 H LYS 36 HN LYS 36 -0.058 -2.848 -4.880 270 HA LYS 36 HA LYS 36 1.684 -0.647 -4.800 271 HB2 LYS 36 HB2 LYS 36 1.983 -3.588 -5.197 272 HB3 LYS 36 HB3 LYS 36 3.358 -2.539 -5.426 273 HG2 LYS 36 HG2 LYS 36 2.994 -3.629 -3.142 274 HG3 LYS 36 HG3 LYS 36 3.414 -1.932 -3.221 275 HD2 LYS 36 HD2 LYS 36 1.400 -1.238 -2.478 276 HD3 LYS 36 HD3 LYS 36 0.550 -2.589 -3.223 277 HE2 LYS 36 HE2 LYS 36 1.255 -4.072 -1.482 278 HE3 LYS 36 HE3 LYS 36 2.324 -2.848 -0.807 279 HZ1 LYS 36 HZ1 LYS 36 0.404 -1.517 -0.235 280 HZ2 LYS 36 HZ2 LYS 36 0.262 -3.056 0.453 281 HZ3 LYS 36 HZ3 LYS 36 -0.637 -2.660 -0.923 282 H ALA 37 HN ALA 37 0.333 -2.557 -7.415 283 HA ALA 37 HA ALA 37 2.071 -1.867 -9.479 284 HB1 ALA 37 HB1 ALA 37 0.229 -3.491 -9.734 285 HB2 ALA 37 HB2 ALA 37 -0.933 -2.166 -9.660 286 HB3 ALA 37 HB3 ALA 37 0.207 -2.265 -11.002 287 H MET 38 HN MET 38 -0.698 -0.180 -8.094 288 HA MET 38 HA MET 38 -0.539 2.099 -9.774 289 HB2 MET 38 HB2 MET 38 -1.693 1.851 -6.986 290 HB3 MET 38 HB3 MET 38 -1.989 3.176 -8.103 291 HG2 MET 38 HG2 MET 38 -2.656 0.895 -9.532 292 HG3 MET 38 HG3 MET 38 -3.272 0.601 -7.909 293 HE1 MET 38 HE1 MET 38 -4.902 2.292 -6.640 294 HE2 MET 38 HE2 MET 38 -3.827 3.646 -6.984 295 HE3 MET 38 HE3 MET 38 -5.544 3.765 -7.367 296 H ILE 39 HN ILE 39 0.806 1.228 -6.621 297 HA ILE 39 HA ILE 39 1.932 3.661 -5.893 298 HB ILE 39 HB ILE 39 3.010 0.878 -5.421 299 HG12 ILE 39 HG12 ILE 39 0.798 1.157 -4.476 300 HG13 ILE 39 HG13 ILE 39 1.988 1.163 -3.177 301 HG21 ILE 39 HG21 ILE 39 4.818 2.354 -5.053 302 HG22 ILE 39 HG22 ILE 39 3.791 3.512 -4.205 303 HG23 ILE 39 HG23 ILE 39 4.157 1.952 -3.467 304 HD11 ILE 39 HD11 ILE 39 0.266 2.840 -2.821 305 HD12 ILE 39 HD12 ILE 39 1.847 3.588 -3.048 306 HD13 ILE 39 HD13 ILE 39 0.671 3.595 -4.362 307 H GLU 40 HN GLU 40 2.952 1.330 -8.281 308 HA GLU 40 HA GLU 40 5.561 2.473 -8.678 309 HB2 GLU 40 HB2 GLU 40 5.235 0.131 -9.194 310 HB3 GLU 40 HB3 GLU 40 3.921 0.514 -10.297 311 HG2 GLU 40 HG2 GLU 40 5.516 1.677 -11.760 312 HG3 GLU 40 HG3 GLU 40 6.821 1.223 -10.669 313 H THR 41 HN THR 41 2.376 2.723 -10.109 314 HA THR 41 HA THR 41 3.019 4.206 -12.386 315 HB THR 41 HB THR 41 0.468 4.848 -11.023 316 HG1 THR 41 HG1 THR 41 1.343 2.232 -11.604 317 HG21 THR 41 HG21 THR 41 -0.408 4.301 -13.265 318 HG22 THR 41 HG22 THR 41 1.221 3.854 -13.766 319 HG23 THR 41 HG23 THR 41 0.862 5.522 -13.318 320 H LYS 42 HN LYS 42 2.899 5.119 -9.048 321 HA LYS 42 HA LYS 42 3.011 7.961 -9.770 322 HB2 LYS 42 HB2 LYS 42 2.334 6.528 -7.222 323 HB3 LYS 42 HB3 LYS 42 2.718 8.246 -7.232 324 HG2 LYS 42 HG2 LYS 42 0.478 8.412 -7.469 325 HG3 LYS 42 HG3 LYS 42 0.890 8.190 -9.172 326 HD2 LYS 42 HD2 LYS 42 0.658 5.702 -8.716 327 HD3 LYS 42 HD3 LYS 42 -0.164 6.171 -7.229 328 HE2 LYS 42 HE2 LYS 42 -1.818 7.410 -8.507 329 HE3 LYS 42 HE3 LYS 42 -0.975 7.025 -10.007 330 HZ1 LYS 42 HZ1 LYS 42 -2.871 5.576 -9.672 331 HZ2 LYS 42 HZ2 LYS 42 -2.258 5.060 -8.184 332 HZ3 LYS 42 HZ3 LYS 42 -1.436 4.680 -9.613 333 H THR 43 HN THR 43 4.685 5.615 -7.647 334 HA THR 43 HA THR 43 6.879 7.485 -7.272 335 HB THR 43 HB THR 43 7.837 5.858 -5.761 336 HG1 THR 43 HG1 THR 43 6.242 3.907 -5.499 337 HG21 THR 43 HG21 THR 43 4.850 6.018 -5.343 338 HG22 THR 43 HG22 THR 43 6.013 7.266 -4.896 339 HG23 THR 43 HG23 THR 43 6.060 5.693 -4.102 340 H GLY 44 HN GLY 44 6.291 4.381 -8.869 341 HA2 GLY 44 HA1 GLY 44 7.346 3.764 -10.897 342 HA3 GLY 44 HA2 GLY 44 8.656 4.873 -10.527 343 H ILE 45 HN ILE 45 7.676 2.884 -7.928 344 HA ILE 45 HA ILE 45 10.176 1.407 -8.104 345 HB ILE 45 HB ILE 45 8.110 1.223 -5.918 346 HG12 ILE 45 HG12 ILE 45 8.766 3.571 -6.236 347 HG13 ILE 45 HG13 ILE 45 9.372 2.936 -4.716 348 HG21 ILE 45 HG21 ILE 45 11.067 0.654 -5.973 349 HG22 ILE 45 HG22 ILE 45 10.027 0.541 -4.554 350 HG23 ILE 45 HG23 ILE 45 9.772 -0.543 -5.922 351 HD11 ILE 45 HD11 ILE 45 11.018 4.337 -5.834 352 HD12 ILE 45 HD12 ILE 45 11.581 2.672 -5.698 353 HD13 ILE 45 HD13 ILE 45 10.975 3.274 -7.240 354 H ILE 46 HN ILE 46 10.350 -0.710 -8.593 355 HA ILE 46 HA ILE 46 8.066 -2.054 -9.683 356 HB ILE 46 HB ILE 46 9.964 -4.002 -9.619 357 HG12 ILE 46 HG12 ILE 46 11.475 -1.408 -9.985 358 HG13 ILE 46 HG13 ILE 46 11.546 -2.381 -8.520 359 HG21 ILE 46 HG21 ILE 46 9.650 -1.798 -11.650 360 HG22 ILE 46 HG22 ILE 46 10.446 -3.344 -11.941 361 HG23 ILE 46 HG23 ILE 46 8.723 -3.295 -11.570 362 HD11 ILE 46 HD11 ILE 46 12.444 -4.251 -9.831 363 HD12 ILE 46 HD12 ILE 46 12.419 -3.231 -11.270 364 HD13 ILE 46 HD13 ILE 46 13.464 -2.815 -9.912 365 HA PRO 47 HA PRO 47 6.413 -4.196 -6.193 366 HB2 PRO 47 HB2 PRO 47 6.348 -6.500 -8.095 367 HB3 PRO 47 HB3 PRO 47 5.080 -5.871 -7.048 368 HG2 PRO 47 HG2 PRO 47 5.017 -5.333 -9.623 369 HG3 PRO 47 HG3 PRO 47 4.636 -4.061 -8.445 370 HD2 PRO 47 HD2 PRO 47 7.126 -4.495 -10.031 371 HD3 PRO 47 HD3 PRO 47 6.318 -2.977 -9.593 372 H GLU 48 HN GLU 48 8.557 -6.263 -8.156 373 HA GLU 48 HA GLU 48 9.281 -8.090 -6.218 374 HB2 GLU 48 HB2 GLU 48 11.294 -8.517 -7.562 375 HB3 GLU 48 HB3 GLU 48 9.853 -8.380 -8.560 376 HG2 GLU 48 HG2 GLU 48 10.476 -6.083 -9.131 377 HG3 GLU 48 HG3 GLU 48 11.931 -6.241 -8.148 378 H THR 49 HN THR 49 10.037 -4.797 -6.270 379 HA THR 49 HA THR 49 12.185 -5.181 -4.293 380 HB THR 49 HB THR 49 12.172 -2.527 -5.412 381 HG1 THR 49 HG1 THR 49 12.159 -4.714 -7.213 382 HG21 THR 49 HG21 THR 49 14.143 -4.803 -5.436 383 HG22 THR 49 HG22 THR 49 14.067 -3.477 -4.277 384 HG23 THR 49 HG23 THR 49 14.513 -3.158 -5.953 385 H GLN 50 HN GLN 50 9.095 -3.886 -4.969 386 HA GLN 50 HA GLN 50 9.025 -1.775 -3.094 387 HB2 GLN 50 HB2 GLN 50 7.279 -3.067 -4.984 388 HB3 GLN 50 HB3 GLN 50 6.433 -2.751 -3.485 389 HG2 GLN 50 HG2 GLN 50 7.314 -0.374 -3.672 390 HG3 GLN 50 HG3 GLN 50 7.761 -0.804 -5.323 391 HE21 GLN 50 HE21 GLN 50 6.173 -1.135 -6.850 392 HE22 GLN 50 HE22 GLN 50 4.527 -0.676 -6.597 393 H ILE 51 HN ILE 51 9.351 -2.151 -0.975 394 HA ILE 51 HA ILE 51 7.989 -4.420 0.291 395 HB ILE 51 HB ILE 51 10.082 -2.641 1.536 396 HG12 ILE 51 HG12 ILE 51 10.344 -5.088 -0.165 397 HG13 ILE 51 HG13 ILE 51 11.319 -3.626 -0.161 398 HG21 ILE 51 HG21 ILE 51 9.128 -5.391 2.321 399 HG22 ILE 51 HG22 ILE 51 10.254 -4.364 3.208 400 HG23 ILE 51 HG23 ILE 51 8.564 -3.888 3.048 401 HD11 ILE 51 HD11 ILE 51 12.281 -4.325 2.011 402 HD12 ILE 51 HD12 ILE 51 11.390 -5.842 1.876 403 HD13 ILE 51 HD13 ILE 51 12.633 -5.438 0.690 404 H VAL 52 HN VAL 52 5.928 -3.680 0.721 405 HA VAL 52 HA VAL 52 5.648 -1.114 2.063 406 HB VAL 52 HB VAL 52 3.641 -2.987 0.808 407 HG11 VAL 52 HG11 VAL 52 3.139 -0.423 2.295 408 HG12 VAL 52 HG12 VAL 52 1.939 -1.334 1.379 409 HG13 VAL 52 HG13 VAL 52 2.680 -2.043 2.812 410 HG21 VAL 52 HG21 VAL 52 4.494 -0.171 0.143 411 HG22 VAL 52 HG22 VAL 52 4.913 -1.627 -0.759 412 HG23 VAL 52 HG23 VAL 52 3.236 -1.085 -0.690 413 H THR 53 HN THR 53 4.477 -0.983 4.058 414 HA THR 53 HA THR 53 4.189 -3.494 5.535 415 HB THR 53 HB THR 53 5.239 -1.595 7.366 416 HG1 THR 53 HG1 THR 53 6.688 -1.819 4.934 417 HG21 THR 53 HG21 THR 53 5.561 -3.829 7.887 418 HG22 THR 53 HG22 THR 53 7.169 -3.338 7.351 419 HG23 THR 53 HG23 THR 53 6.112 -4.236 6.260 420 H LEU 54 HN LEU 54 2.344 -3.598 6.459 421 HA LEU 54 HA LEU 54 0.734 -1.231 6.876 422 HB2 LEU 54 HB2 LEU 54 0.300 -4.059 6.511 423 HB3 LEU 54 HB3 LEU 54 -0.547 -3.499 7.935 424 HG LEU 54 HG LEU 54 -1.964 -3.457 5.967 425 HD11 LEU 54 HD11 LEU 54 -2.466 -1.870 7.690 426 HD12 LEU 54 HD12 LEU 54 -1.246 -0.753 7.074 427 HD13 LEU 54 HD13 LEU 54 -2.696 -1.088 6.126 428 HD21 LEU 54 HD21 LEU 54 -1.496 -1.655 4.263 429 HD22 LEU 54 HD22 LEU 54 0.148 -1.632 4.897 430 HD23 LEU 54 HD23 LEU 54 -0.500 -3.107 4.180 431 H ASN 55 HN ASN 55 -0.704 -2.080 9.161 432 HA ASN 55 HA ASN 55 0.893 -1.025 11.204 433 HB2 ASN 55 HB2 ASN 55 -1.517 -2.809 11.589 434 HB3 ASN 55 HB3 ASN 55 -0.918 -1.568 12.689 435 HD21 ASN 55 HD21 ASN 55 -2.409 -2.143 9.575 436 HD22 ASN 55 HD22 ASN 55 -3.109 -0.576 9.394 437 H GLY 56 HN GLY 56 2.812 -2.038 11.524 438 HA2 GLY 56 HA1 GLY 56 4.303 -3.583 12.310 439 HA3 GLY 56 HA2 GLY 56 2.962 -4.239 13.235 440 H LYS 57 HN LYS 57 2.372 -4.267 9.882 441 HA LYS 57 HA LYS 57 3.189 -7.098 9.750 442 HB2 LYS 57 HB2 LYS 57 0.681 -5.746 8.939 443 HB3 LYS 57 HB3 LYS 57 1.259 -7.043 7.911 444 HG2 LYS 57 HG2 LYS 57 -0.391 -7.688 9.695 445 HG3 LYS 57 HG3 LYS 57 1.098 -8.629 9.641 446 HD2 LYS 57 HD2 LYS 57 1.801 -7.863 11.638 447 HD3 LYS 57 HD3 LYS 57 1.138 -6.253 11.378 448 HE2 LYS 57 HE2 LYS 57 -1.076 -7.042 11.880 449 HE3 LYS 57 HE3 LYS 57 -0.492 -8.697 12.047 450 HZ1 LYS 57 HZ1 LYS 57 0.826 -8.008 13.944 451 HZ2 LYS 57 HZ2 LYS 57 -0.800 -7.619 14.196 452 HZ3 LYS 57 HZ3 LYS 57 0.302 -6.410 13.770 453 H ARG 58 HN ARG 58 3.783 -7.922 7.689 454 HA ARG 58 HA ARG 58 4.947 -5.881 5.935 455 HB2 ARG 58 HB2 ARG 58 5.593 -8.809 6.277 456 HB3 ARG 58 HB3 ARG 58 6.323 -7.785 5.052 457 HG2 ARG 58 HG2 ARG 58 6.652 -6.436 7.475 458 HG3 ARG 58 HG3 ARG 58 7.031 -8.126 7.804 459 HD2 ARG 58 HD2 ARG 58 8.148 -6.677 5.428 460 HD3 ARG 58 HD3 ARG 58 8.939 -6.623 7.004 461 HE ARG 58 HE ARG 58 8.452 -9.300 6.337 462 HH11 ARG 58 HH11 ARG 58 11.698 -7.623 4.699 463 HH12 ARG 58 HH12 ARG 58 10.420 -6.619 5.295 464 HH21 ARG 58 HH21 ARG 58 11.532 -9.902 4.843 465 HH22 ARG 58 HH22 ARG 58 10.129 -10.628 5.552 466 H LEU 59 HN LEU 59 4.519 -5.852 3.760 467 HA LEU 59 HA LEU 59 2.057 -7.158 2.980 468 HB2 LEU 59 HB2 LEU 59 3.751 -4.986 1.811 469 HB3 LEU 59 HB3 LEU 59 2.538 -5.769 0.827 470 HG LEU 59 HG LEU 59 1.855 -3.630 1.918 471 HD11 LEU 59 HD11 LEU 59 -0.352 -4.569 2.744 472 HD12 LEU 59 HD12 LEU 59 0.118 -4.970 1.091 473 HD13 LEU 59 HD13 LEU 59 0.318 -6.159 2.377 474 HD21 LEU 59 HD21 LEU 59 1.306 -3.599 4.244 475 HD22 LEU 59 HD22 LEU 59 1.740 -5.299 4.411 476 HD23 LEU 59 HD23 LEU 59 2.987 -4.099 4.080 477 H GLU 60 HN GLU 60 2.040 -9.071 2.120 478 HA GLU 60 HA GLU 60 4.375 -9.993 0.587 479 HB2 GLU 60 HB2 GLU 60 2.277 -11.477 2.159 480 HB3 GLU 60 HB3 GLU 60 3.365 -12.288 1.047 481 HG2 GLU 60 HG2 GLU 60 4.217 -10.656 3.427 482 HG3 GLU 60 HG3 GLU 60 4.115 -12.415 3.379 483 H ASP 61 HN ASP 61 4.098 -11.044 -1.385 484 HA ASP 61 HA ASP 61 2.039 -10.070 -3.041 485 HB2 ASP 61 HB2 ASP 61 3.889 -12.416 -3.529 486 HB3 ASP 61 HB3 ASP 61 2.969 -11.549 -4.756 487 H GLY 62 HN GLY 62 0.125 -10.911 -3.690 488 HA2 GLY 62 HA1 GLY 62 -1.431 -12.657 -4.082 489 HA3 GLY 62 HA2 GLY 62 -0.535 -13.673 -2.964 490 H LYS 63 HN LYS 63 -0.445 -11.356 -1.026 491 HA LYS 63 HA LYS 63 -2.899 -12.016 0.334 492 HB2 LYS 63 HB2 LYS 63 -0.349 -11.208 1.128 493 HB3 LYS 63 HB3 LYS 63 -1.385 -9.842 1.522 494 HG2 LYS 63 HG2 LYS 63 -1.541 -11.040 3.450 495 HG3 LYS 63 HG3 LYS 63 -2.907 -11.716 2.563 496 HD2 LYS 63 HD2 LYS 63 -1.808 -13.600 3.372 497 HD3 LYS 63 HD3 LYS 63 -1.199 -13.446 1.724 498 HE2 LYS 63 HE2 LYS 63 0.776 -12.263 2.593 499 HE3 LYS 63 HE3 LYS 63 0.186 -12.529 4.233 500 HZ1 LYS 63 HZ1 LYS 63 0.320 -14.918 3.843 501 HZ2 LYS 63 HZ2 LYS 63 1.827 -14.181 3.630 502 HZ3 LYS 63 HZ3 LYS 63 0.918 -14.648 2.283 503 H MET 64 HN MET 64 -4.557 -10.591 0.896 504 HA MET 64 HA MET 64 -4.788 -8.260 -0.853 505 HB2 MET 64 HB2 MET 64 -7.125 -8.789 0.735 506 HB3 MET 64 HB3 MET 64 -6.949 -8.785 -1.006 507 HG2 MET 64 HG2 MET 64 -6.158 -11.106 -0.917 508 HG3 MET 64 HG3 MET 64 -6.396 -11.097 0.828 509 HE1 MET 64 HE1 MET 64 -9.347 -13.375 -0.144 510 HE2 MET 64 HE2 MET 64 -7.635 -13.392 -0.563 511 HE3 MET 64 HE3 MET 64 -8.135 -13.040 1.092 512 H MET 65 HN MET 65 -5.462 -6.240 -0.039 513 HA MET 65 HA MET 65 -4.241 -5.382 2.319 514 HB2 MET 65 HB2 MET 65 -6.747 -4.024 1.395 515 HB3 MET 65 HB3 MET 65 -5.270 -3.313 2.026 516 HG2 MET 65 HG2 MET 65 -4.250 -4.289 -0.186 517 HG3 MET 65 HG3 MET 65 -5.931 -4.209 -0.717 518 HE1 MET 65 HE1 MET 65 -7.371 -1.686 -0.407 519 HE2 MET 65 HE2 MET 65 -6.759 -1.769 1.242 520 HE3 MET 65 HE3 MET 65 -6.527 -0.306 0.290 521 H ALA 66 HN ALA 66 -7.535 -6.443 1.721 522 HA ALA 66 HA ALA 66 -8.682 -5.900 4.195 523 HB1 ALA 66 HB1 ALA 66 -9.301 -8.228 2.378 524 HB2 ALA 66 HB2 ALA 66 -10.358 -7.555 3.619 525 HB3 ALA 66 HB3 ALA 66 -9.945 -6.595 2.200 526 H ASP 67 HN ASP 67 -6.653 -8.578 3.157 527 HA ASP 67 HA ASP 67 -7.090 -10.296 5.334 528 HB2 ASP 67 HB2 ASP 67 -5.918 -10.989 3.285 529 HB3 ASP 67 HB3 ASP 67 -4.567 -9.938 3.701 530 H TYR 68 HN TYR 68 -5.298 -7.349 5.088 531 HA TYR 68 HA TYR 68 -3.787 -7.839 7.525 532 HB2 TYR 68 HB2 TYR 68 -3.934 -5.441 5.693 533 HB3 TYR 68 HB3 TYR 68 -2.855 -5.573 7.083 534 HD1 TYR 68 HD1 TYR 68 -3.555 -6.812 3.697 535 HD2 TYR 68 HD2 TYR 68 -0.909 -6.987 7.020 536 HE1 TYR 68 HE1 TYR 68 -1.866 -7.904 2.283 537 HE2 TYR 68 HE2 TYR 68 0.790 -8.080 5.624 538 HH TYR 68 HH TYR 68 0.606 -8.187 2.257 539 H GLY 69 HN GLY 69 -6.881 -7.237 7.132 540 HA2 GLY 69 HA1 GLY 69 -8.520 -6.165 8.338 541 HA3 GLY 69 HA2 GLY 69 -7.384 -6.274 9.678 542 H ILE 70 HN ILE 70 -7.062 -4.464 6.651 543 HA ILE 70 HA ILE 70 -6.161 -2.119 7.933 544 HB ILE 70 HB ILE 70 -6.216 -1.089 5.804 545 HG12 ILE 70 HG12 ILE 70 -7.762 -3.438 4.795 546 HG13 ILE 70 HG13 ILE 70 -8.509 -1.910 5.249 547 HG21 ILE 70 HG21 ILE 70 -4.421 -2.651 6.117 548 HG22 ILE 70 HG22 ILE 70 -5.457 -3.992 5.631 549 HG23 ILE 70 HG23 ILE 70 -4.993 -2.766 4.452 550 HD11 ILE 70 HD11 ILE 70 -7.012 -0.804 3.640 551 HD12 ILE 70 HD12 ILE 70 -6.519 -2.403 3.090 552 HD13 ILE 70 HD13 ILE 70 -8.201 -1.894 2.916 553 H ARG 71 HN ARG 71 -7.253 0.046 7.198 554 HA ARG 71 HA ARG 71 -10.144 -0.074 7.714 555 HB2 ARG 71 HB2 ARG 71 -9.955 1.854 9.192 556 HB3 ARG 71 HB3 ARG 71 -8.961 0.532 9.789 557 HG2 ARG 71 HG2 ARG 71 -6.984 1.611 8.823 558 HG3 ARG 71 HG3 ARG 71 -7.995 2.949 8.276 559 HD2 ARG 71 HD2 ARG 71 -6.904 3.571 10.331 560 HD3 ARG 71 HD3 ARG 71 -8.630 3.376 10.628 561 HE ARG 71 HE ARG 71 -7.528 0.943 11.233 562 HH11 ARG 71 HH11 ARG 71 -6.566 3.767 13.904 563 HH12 ARG 71 HH12 ARG 71 -7.060 4.225 12.308 564 HH21 ARG 71 HH21 ARG 71 -6.465 1.554 14.484 565 HH22 ARG 71 HH22 ARG 71 -6.878 0.332 13.327 566 H LYS 72 HN LYS 72 -11.311 1.850 6.983 567 HA LYS 72 HA LYS 72 -10.725 2.632 4.397 568 HB2 LYS 72 HB2 LYS 72 -12.138 4.632 6.073 569 HB3 LYS 72 HB3 LYS 72 -12.583 3.955 4.513 570 HG2 LYS 72 HG2 LYS 72 -12.889 2.617 7.192 571 HG3 LYS 72 HG3 LYS 72 -14.179 3.299 6.199 572 HD2 LYS 72 HD2 LYS 72 -13.415 1.677 4.394 573 HD3 LYS 72 HD3 LYS 72 -12.481 0.878 5.658 574 HE2 LYS 72 HE2 LYS 72 -15.460 1.301 5.599 575 HE3 LYS 72 HE3 LYS 72 -14.612 -0.229 5.390 576 HZ1 LYS 72 HZ1 LYS 72 -15.478 -0.021 7.626 577 HZ2 LYS 72 HZ2 LYS 72 -14.634 1.427 7.857 578 HZ3 LYS 72 HZ3 LYS 72 -13.786 -0.023 7.662 579 H GLY 73 HN GLY 73 -8.890 3.639 3.750 580 HA2 GLY 73 HA1 GLY 73 -7.339 5.353 3.594 581 HA3 GLY 73 HA2 GLY 73 -8.189 6.188 4.889 582 H ASN 74 HN ASN 74 -6.654 2.982 4.744 583 HA ASN 74 HA ASN 74 -5.487 3.358 7.332 584 HB2 ASN 74 HB2 ASN 74 -6.317 1.165 6.127 585 HB3 ASN 74 HB3 ASN 74 -4.670 1.133 5.506 586 HD21 ASN 74 HD21 ASN 74 -5.157 2.556 8.594 587 HD22 ASN 74 HD22 ASN 74 -4.555 1.244 9.538 588 H LEU 75 HN LEU 75 -3.175 2.956 7.725 589 HA LEU 75 HA LEU 75 -1.574 4.595 5.923 590 HB2 LEU 75 HB2 LEU 75 -0.924 3.532 8.671 591 HB3 LEU 75 HB3 LEU 75 0.045 4.673 7.759 592 HG LEU 75 HG LEU 75 -2.730 5.181 8.836 593 HD11 LEU 75 HD11 LEU 75 -1.545 6.810 10.281 594 HD12 LEU 75 HD12 LEU 75 -1.115 5.130 10.610 595 HD13 LEU 75 HD13 LEU 75 -0.014 6.158 9.693 596 HD21 LEU 75 HD21 LEU 75 -2.331 7.501 8.120 597 HD22 LEU 75 HD22 LEU 75 -0.831 6.989 7.345 598 HD23 LEU 75 HD23 LEU 75 -2.379 6.382 6.758 599 H LEU 76 HN LEU 76 0.003 3.842 4.673 600 HA LEU 76 HA LEU 76 1.073 1.152 5.156 601 HB2 LEU 76 HB2 LEU 76 0.582 2.128 2.366 602 HB3 LEU 76 HB3 LEU 76 0.883 0.492 2.915 603 HG LEU 76 HG LEU 76 -1.419 0.733 4.110 604 HD11 LEU 76 HD11 LEU 76 -2.941 2.273 3.202 605 HD12 LEU 76 HD12 LEU 76 -1.490 3.205 3.558 606 HD13 LEU 76 HD13 LEU 76 -1.840 2.719 1.900 607 HD21 LEU 76 HD21 LEU 76 -0.926 -0.792 2.253 608 HD22 LEU 76 HD22 LEU 76 -2.541 -0.097 2.120 609 HD23 LEU 76 HD23 LEU 76 -1.233 0.514 1.108 610 H PHE 77 HN PHE 77 3.170 1.394 5.516 611 HA PHE 77 HA PHE 77 4.592 3.709 4.526 612 HB2 PHE 77 HB2 PHE 77 5.417 1.374 6.258 613 HB3 PHE 77 HB3 PHE 77 6.534 2.643 5.767 614 HD1 PHE 77 HD1 PHE 77 6.735 4.563 7.044 615 HD2 PHE 77 HD2 PHE 77 3.277 2.122 7.488 616 HE1 PHE 77 HE1 PHE 77 6.013 5.939 8.951 617 HE2 PHE 77 HE2 PHE 77 2.548 3.494 9.395 618 HZ PHE 77 HZ PHE 77 3.917 5.406 10.130 619 H LEU 78 HN LEU 78 5.822 3.798 2.752 620 HA LEU 78 HA LEU 78 6.184 1.360 1.193 621 HB2 LEU 78 HB2 LEU 78 5.257 3.373 0.096 622 HB3 LEU 78 HB3 LEU 78 6.746 4.231 0.445 623 HG LEU 78 HG LEU 78 7.984 2.639 -0.986 624 HD11 LEU 78 HD11 LEU 78 6.569 0.695 -0.771 625 HD12 LEU 78 HD12 LEU 78 5.240 1.537 -1.568 626 HD13 LEU 78 HD13 LEU 78 6.703 1.146 -2.471 627 HD21 LEU 78 HD21 LEU 78 7.162 4.746 -1.911 628 HD22 LEU 78 HD22 LEU 78 7.138 3.463 -3.122 629 HD23 LEU 78 HD23 LEU 78 5.640 3.968 -2.341 630 H ALA 79 HN ALA 79 8.104 0.490 0.651 631 HA ALA 79 HA ALA 79 10.598 1.826 1.315 632 HB1 ALA 79 HB1 ALA 79 9.936 -0.870 2.501 633 HB2 ALA 79 HB2 ALA 79 11.444 0.024 2.690 634 HB3 ALA 79 HB3 ALA 79 9.954 0.650 3.395 635 H SER 80 HN SER 80 12.495 0.319 0.638 636 HA SER 80 HA SER 80 11.778 -1.555 -1.464 637 HB2 SER 80 HB2 SER 80 11.784 0.545 -2.684 638 HB3 SER 80 HB3 SER 80 13.373 0.950 -2.038 639 HG SER 80 HG SER 80 13.155 -1.481 -3.357 640 H TYR 81 HN TYR 81 13.433 -2.957 -2.070 641 HA TYR 81 HA TYR 81 15.267 -3.692 -0.111 642 HB2 TYR 81 HB2 TYR 81 15.053 -4.310 -3.046 643 HB3 TYR 81 HB3 TYR 81 16.389 -4.939 -2.094 644 HD1 TYR 81 HD1 TYR 81 12.700 -4.931 -2.408 645 HD2 TYR 81 HD2 TYR 81 16.105 -6.831 -0.710 646 HE1 TYR 81 HE1 TYR 81 11.282 -6.801 -1.674 647 HE2 TYR 81 HE2 TYR 81 14.697 -8.707 0.030 648 HH TYR 81 HH TYR 81 12.347 -9.162 0.531 649 H SER 82 HN SER 82 17.012 -2.640 0.577 650 HA SER 82 HA SER 82 18.769 -1.372 -1.399 651 HB2 SER 82 HB2 SER 82 19.056 0.598 0.068 652 HB3 SER 82 HB3 SER 82 17.393 0.434 -0.495 653 HG SER 82 HG SER 82 17.444 -0.905 1.711 654 H ILE 83 HN ILE 83 20.883 -0.675 -0.300 655 HA ILE 83 HA ILE 83 22.088 -2.962 0.830 656 HB ILE 83 HB ILE 83 23.144 -0.131 0.818 657 HG12 ILE 83 HG12 ILE 83 22.544 -0.895 -1.442 658 HG13 ILE 83 HG13 ILE 83 24.288 -0.747 -1.259 659 HG21 ILE 83 HG21 ILE 83 24.371 -1.528 2.351 660 HG22 ILE 83 HG22 ILE 83 24.548 -2.780 1.122 661 HG23 ILE 83 HG23 ILE 83 25.355 -1.225 0.920 662 HD11 ILE 83 HD11 ILE 83 23.693 -2.739 -2.509 663 HD12 ILE 83 HD12 ILE 83 24.463 -3.163 -0.980 664 HD13 ILE 83 HD13 ILE 83 22.714 -3.311 -1.157 665 H GLY 84 HN GLY 84 21.050 0.122 2.239 666 HA2 GLY 84 HA1 GLY 84 21.437 -1.079 4.912 667 HA3 GLY 84 HA2 GLY 84 21.675 0.630 4.581 668 H GLY 85 HN GLY 85 19.830 -0.906 6.417 669 HA2 GLY 85 HA1 GLY 85 17.801 -0.138 7.319 670 HA3 GLY 85 HA2 GLY 85 17.466 0.690 5.807 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -22.477 4.474 -5.210 2 H2 GLY 1 H2 GLY 1 -21.521 5.851 -5.431 3 H3 GLY 1 H3 GLY 1 -21.822 4.813 -6.732 4 HA2 GLY 1 HA2 GLY 1 -23.170 6.807 -6.910 5 HA3 GLY 1 HA1 GLY 1 -24.159 5.370 -6.706 6 H ALA 2 HN ALA 2 -25.198 5.001 -4.710 7 HA ALA 2 HA ALA 2 -25.118 7.187 -2.762 8 HB1 ALA 2 HB1 ALA 2 -27.679 6.139 -3.964 9 HB2 ALA 2 HB2 ALA 2 -27.540 7.362 -2.700 10 HB3 ALA 2 HB3 ALA 2 -26.944 7.702 -4.325 11 H MET 3 HN MET 3 -25.218 3.910 -3.465 12 HA MET 3 HA MET 3 -26.339 3.148 -0.877 13 HB2 MET 3 HB2 MET 3 -26.156 0.833 -1.732 14 HB3 MET 3 HB3 MET 3 -27.116 1.869 -2.779 15 HG2 MET 3 HG2 MET 3 -25.135 2.153 -4.236 16 HG3 MET 3 HG3 MET 3 -24.269 1.002 -3.220 17 HE1 MET 3 HE1 MET 3 -26.483 -1.116 -2.494 18 HE2 MET 3 HE2 MET 3 -26.291 -2.294 -3.792 19 HE3 MET 3 HE3 MET 3 -24.869 -1.572 -3.039 20 H GLY 4 HN GLY 4 -23.357 3.878 -2.235 21 HA2 GLY 4 HA1 GLY 4 -21.531 3.992 -0.563 22 HA3 GLY 4 HA2 GLY 4 -21.967 2.349 -0.120 23 H ASP 5 HN ASP 5 -19.434 2.584 -0.629 24 HA ASP 5 HA ASP 5 -19.108 1.422 -3.307 25 HB2 ASP 5 HB2 ASP 5 -16.919 2.585 -3.507 26 HB3 ASP 5 HB3 ASP 5 -18.286 3.696 -3.469 27 H GLU 6 HN GLU 6 -16.964 0.248 -3.492 28 HA GLU 6 HA GLU 6 -16.548 -1.287 -1.025 29 HB2 GLU 6 HB2 GLU 6 -15.947 -1.957 -3.910 30 HB3 GLU 6 HB3 GLU 6 -15.530 -2.990 -2.548 31 HG2 GLU 6 HG2 GLU 6 -18.322 -2.141 -3.284 32 HG3 GLU 6 HG3 GLU 6 -17.588 -3.690 -3.691 33 H GLU 7 HN GLU 7 -14.827 0.494 -3.535 34 HA GLU 7 HA GLU 7 -12.205 -0.109 -2.769 35 HB2 GLU 7 HB2 GLU 7 -13.184 2.505 -3.923 36 HB3 GLU 7 HB3 GLU 7 -11.548 1.869 -4.003 37 HG2 GLU 7 HG2 GLU 7 -12.365 -0.005 -5.366 38 HG3 GLU 7 HG3 GLU 7 -13.984 0.692 -5.324 39 H LEU 8 HN LEU 8 -10.849 0.658 -1.231 40 HA LEU 8 HA LEU 8 -11.939 2.683 0.609 41 HB2 LEU 8 HB2 LEU 8 -9.989 0.478 1.275 42 HB3 LEU 8 HB3 LEU 8 -10.685 1.625 2.401 43 HG LEU 8 HG LEU 8 -12.095 -0.624 0.973 44 HD11 LEU 8 HD11 LEU 8 -12.561 -1.392 3.240 45 HD12 LEU 8 HD12 LEU 8 -10.827 -1.248 2.959 46 HD13 LEU 8 HD13 LEU 8 -11.672 -0.016 3.894 47 HD21 LEU 8 HD21 LEU 8 -13.254 1.633 2.598 48 HD22 LEU 8 HD22 LEU 8 -13.613 1.222 0.921 49 HD23 LEU 8 HD23 LEU 8 -14.117 0.142 2.221 50 HA PRO 9 HA PRO 9 -8.461 5.210 -0.443 51 HB2 PRO 9 HB2 PRO 9 -8.637 6.431 2.217 52 HB3 PRO 9 HB3 PRO 9 -8.947 7.150 0.635 53 HG2 PRO 9 HG2 PRO 9 -10.930 6.644 2.387 54 HG3 PRO 9 HG3 PRO 9 -11.165 6.522 0.633 55 HD2 PRO 9 HD2 PRO 9 -10.703 4.343 2.639 56 HD3 PRO 9 HD3 PRO 9 -11.835 4.388 1.272 57 H LEU 10 HN LEU 10 -6.282 5.842 0.353 58 HA LEU 10 HA LEU 10 -5.241 4.318 2.588 59 HB2 LEU 10 HB2 LEU 10 -4.341 3.867 -0.253 60 HB3 LEU 10 HB3 LEU 10 -3.385 3.415 1.143 61 HG LEU 10 HG LEU 10 -6.173 2.402 0.721 62 HD11 LEU 10 HD11 LEU 10 -4.522 1.876 -1.171 63 HD12 LEU 10 HD12 LEU 10 -3.706 0.857 0.013 64 HD13 LEU 10 HD13 LEU 10 -5.382 0.532 -0.427 65 HD21 LEU 10 HD21 LEU 10 -3.867 1.494 2.425 66 HD22 LEU 10 HD22 LEU 10 -5.397 2.175 2.972 67 HD23 LEU 10 HD23 LEU 10 -5.362 0.587 2.207 68 H PHE 11 HN PHE 11 -2.937 4.789 2.952 69 HA PHE 11 HA PHE 11 -2.243 7.514 2.072 70 HB2 PHE 11 HB2 PHE 11 -2.235 6.344 4.846 71 HB3 PHE 11 HB3 PHE 11 -1.299 7.779 4.443 72 HD1 PHE 11 HD1 PHE 11 -4.502 6.481 5.354 73 HD2 PHE 11 HD2 PHE 11 -2.539 9.799 3.565 74 HE1 PHE 11 HE1 PHE 11 -6.499 7.864 5.747 75 HE2 PHE 11 HE2 PHE 11 -4.528 11.193 3.955 76 HZ PHE 11 HZ PHE 11 -6.508 10.222 5.078 77 H LEU 12 HN LEU 12 -0.445 7.319 0.875 78 HA LEU 12 HA LEU 12 1.492 5.245 1.479 79 HB2 LEU 12 HB2 LEU 12 0.626 6.030 -0.850 80 HB3 LEU 12 HB3 LEU 12 1.791 7.324 -0.658 81 HG LEU 12 HG LEU 12 2.622 5.443 -2.014 82 HD11 LEU 12 HD11 LEU 12 4.172 6.906 -0.792 83 HD12 LEU 12 HD12 LEU 12 4.117 5.796 0.576 84 HD13 LEU 12 HD13 LEU 12 4.792 5.265 -0.963 85 HD21 LEU 12 HD21 LEU 12 3.193 3.328 -0.956 86 HD22 LEU 12 HD22 LEU 12 2.480 3.881 0.559 87 HD23 LEU 12 HD23 LEU 12 1.458 3.630 -0.857 88 H VAL 13 HN VAL 13 3.076 5.607 2.896 89 HA VAL 13 HA VAL 13 4.145 8.340 3.141 90 HB VAL 13 HB VAL 13 4.277 6.259 5.314 91 HG11 VAL 13 HG11 VAL 13 4.617 8.232 6.740 92 HG12 VAL 13 HG12 VAL 13 5.850 8.087 5.488 93 HG13 VAL 13 HG13 VAL 13 4.546 9.260 5.308 94 HG21 VAL 13 HG21 VAL 13 1.921 6.624 4.818 95 HG22 VAL 13 HG22 VAL 13 2.349 7.350 6.368 96 HG23 VAL 13 HG23 VAL 13 2.151 8.369 4.941 97 H GLU 14 HN GLU 14 6.023 8.402 2.087 98 HA GLU 14 HA GLU 14 7.639 6.165 1.527 99 HB2 GLU 14 HB2 GLU 14 7.833 9.102 1.186 100 HB3 GLU 14 HB3 GLU 14 9.337 8.201 1.130 101 HG2 GLU 14 HG2 GLU 14 6.965 7.433 -0.525 102 HG3 GLU 14 HG3 GLU 14 8.140 8.629 -1.064 103 H SER 15 HN SER 15 9.106 5.146 2.703 104 HA SER 15 HA SER 15 9.635 5.840 5.392 105 HB2 SER 15 HB2 SER 15 9.688 3.516 4.634 106 HB3 SER 15 HB3 SER 15 11.058 3.875 3.582 107 HG SER 15 HG SER 15 12.356 4.069 5.311 108 H GLY 16 HN GLY 16 11.415 6.322 2.397 109 HA2 GLY 16 HA1 GLY 16 13.836 7.162 3.612 110 HA3 GLY 16 HA2 GLY 16 13.359 7.470 1.948 111 H ASP 17 HN ASP 17 10.968 8.897 2.511 112 HA ASP 17 HA ASP 17 11.829 11.205 4.080 113 HB2 ASP 17 HB2 ASP 17 10.967 11.397 1.185 114 HB3 ASP 17 HB3 ASP 17 11.264 12.765 2.254 115 H GLU 18 HN GLU 18 10.228 11.464 5.484 116 HA GLU 18 HA GLU 18 7.605 10.513 5.126 117 HB2 GLU 18 HB2 GLU 18 7.077 11.884 7.151 118 HB3 GLU 18 HB3 GLU 18 8.437 10.789 7.348 119 HG2 GLU 18 HG2 GLU 18 9.116 12.772 8.364 120 HG3 GLU 18 HG3 GLU 18 9.915 12.776 6.793 121 H ALA 19 HN ALA 19 9.126 13.271 3.905 122 HA ALA 19 HA ALA 19 6.964 15.095 3.854 123 HB1 ALA 19 HB1 ALA 19 8.255 16.282 2.151 124 HB2 ALA 19 HB2 ALA 19 9.272 15.803 3.509 125 HB3 ALA 19 HB3 ALA 19 9.333 14.895 1.999 126 H LYS 20 HN LYS 20 7.925 12.450 1.770 127 HA LYS 20 HA LYS 20 6.148 13.123 -0.358 128 HB2 LYS 20 HB2 LYS 20 7.212 10.360 0.112 129 HB3 LYS 20 HB3 LYS 20 6.900 11.176 -1.411 130 HG2 LYS 20 HG2 LYS 20 9.145 11.770 0.505 131 HG3 LYS 20 HG3 LYS 20 9.276 10.949 -1.050 132 HD2 LYS 20 HD2 LYS 20 8.517 12.982 -2.182 133 HD3 LYS 20 HD3 LYS 20 8.383 13.801 -0.626 134 HE2 LYS 20 HE2 LYS 20 10.768 13.546 -0.260 135 HE3 LYS 20 HE3 LYS 20 10.925 12.653 -1.772 136 HZ1 LYS 20 HZ1 LYS 20 10.020 15.473 -1.551 137 HZ2 LYS 20 HZ2 LYS 20 10.275 14.614 -2.986 138 HZ3 LYS 20 HZ3 LYS 20 11.584 14.989 -1.981 139 H ARG 21 HN ARG 21 4.028 13.192 0.108 140 HA ARG 21 HA ARG 21 2.831 10.794 1.319 141 HB2 ARG 21 HB2 ARG 21 2.651 13.583 2.155 142 HB3 ARG 21 HB3 ARG 21 1.073 12.849 1.900 143 HG2 ARG 21 HG2 ARG 21 3.190 11.549 3.566 144 HG3 ARG 21 HG3 ARG 21 2.006 12.685 4.225 145 HD2 ARG 21 HD2 ARG 21 1.239 10.267 2.618 146 HD3 ARG 21 HD3 ARG 21 1.403 10.236 4.374 147 HE ARG 21 HE ARG 21 -0.433 11.749 4.538 148 HH11 ARG 21 HH11 ARG 21 -1.423 10.957 0.743 149 HH12 ARG 21 HH12 ARG 21 0.141 10.509 1.337 150 HH21 ARG 21 HH21 ARG 21 -2.918 12.001 2.122 151 HH22 ARG 21 HH22 ARG 21 -2.492 12.347 3.765 152 H HIS 22 HN HIS 22 1.295 9.842 0.162 153 HA HIS 22 HA HIS 22 -0.204 11.395 -1.822 154 HB2 HIS 22 HB2 HIS 22 0.572 8.807 -2.903 155 HB3 HIS 22 HB3 HIS 22 0.711 10.410 -3.624 156 HD2 HIS 22 HD2 HIS 22 2.953 7.679 -2.391 157 HE1 HIS 22 HE1 HIS 22 5.171 11.249 -1.985 158 H LEU 23 HN LEU 23 -2.281 11.042 -1.426 159 HA LEU 23 HA LEU 23 -3.171 8.595 -0.116 160 HB2 LEU 23 HB2 LEU 23 -3.969 10.989 0.409 161 HB3 LEU 23 HB3 LEU 23 -4.915 10.859 -1.059 162 HG LEU 23 HG LEU 23 -5.179 8.997 1.307 163 HD11 LEU 23 HD11 LEU 23 -6.910 11.315 0.467 164 HD12 LEU 23 HD12 LEU 23 -7.256 10.183 1.775 165 HD13 LEU 23 HD13 LEU 23 -5.865 11.262 1.888 166 HD21 LEU 23 HD21 LEU 23 -7.329 8.407 0.182 167 HD22 LEU 23 HD22 LEU 23 -6.784 9.323 -1.223 168 HD23 LEU 23 HD23 LEU 23 -5.887 7.899 -0.696 169 H LEU 24 HN LEU 24 -3.854 6.890 -1.206 170 HA LEU 24 HA LEU 24 -5.067 7.285 -3.855 171 HB2 LEU 24 HB2 LEU 24 -3.291 4.955 -3.200 172 HB3 LEU 24 HB3 LEU 24 -3.891 5.446 -4.767 173 HG LEU 24 HG LEU 24 -1.913 7.041 -3.142 174 HD11 LEU 24 HD11 LEU 24 -1.458 5.195 -5.486 175 HD12 LEU 24 HD12 LEU 24 -0.246 6.249 -4.757 176 HD13 LEU 24 HD13 LEU 24 -0.934 4.919 -3.825 177 HD21 LEU 24 HD21 LEU 24 -3.375 8.261 -4.766 178 HD22 LEU 24 HD22 LEU 24 -1.647 8.361 -5.110 179 HD23 LEU 24 HD23 LEU 24 -2.674 7.275 -6.046 180 H GLN 25 HN GLN 25 -6.911 6.187 -4.182 181 HA GLN 25 HA GLN 25 -7.822 4.476 -1.999 182 HB2 GLN 25 HB2 GLN 25 -10.071 4.749 -2.983 183 HB3 GLN 25 HB3 GLN 25 -9.320 6.279 -2.561 184 HG2 GLN 25 HG2 GLN 25 -10.290 6.705 -4.610 185 HG3 GLN 25 HG3 GLN 25 -8.612 6.381 -5.022 186 HE21 GLN 25 HE21 GLN 25 -10.434 3.642 -4.098 187 HE22 GLN 25 HE22 GLN 25 -10.706 3.006 -5.680 188 H VAL 26 HN VAL 26 -7.958 2.372 -2.168 189 HA VAL 26 HA VAL 26 -8.408 1.086 -4.738 190 HB VAL 26 HB VAL 26 -6.153 0.074 -3.023 191 HG11 VAL 26 HG11 VAL 26 -5.510 -1.076 -5.083 192 HG12 VAL 26 HG12 VAL 26 -7.147 -1.496 -4.579 193 HG13 VAL 26 HG13 VAL 26 -6.897 -0.363 -5.907 194 HG21 VAL 26 HG21 VAL 26 -5.496 2.312 -3.682 195 HG22 VAL 26 HG22 VAL 26 -4.577 1.121 -4.603 196 HG23 VAL 26 HG23 VAL 26 -5.927 1.971 -5.359 197 H ARG 27 HN ARG 27 -9.269 -1.029 -4.531 198 HA ARG 27 HA ARG 27 -10.956 -1.421 -2.338 199 HB2 ARG 27 HB2 ARG 27 -10.069 -3.758 -3.971 200 HB3 ARG 27 HB3 ARG 27 -11.669 -3.370 -3.370 201 HG2 ARG 27 HG2 ARG 27 -10.924 -1.335 -5.138 202 HG3 ARG 27 HG3 ARG 27 -10.515 -2.858 -5.914 203 HD2 ARG 27 HD2 ARG 27 -12.751 -3.676 -5.604 204 HD3 ARG 27 HD3 ARG 27 -13.187 -2.247 -4.670 205 HE ARG 27 HE ARG 27 -12.521 -1.105 -6.948 206 HH11 ARG 27 HH11 ARG 27 -15.305 -3.833 -7.861 207 HH12 ARG 27 HH12 ARG 27 -14.355 -4.020 -6.425 208 HH21 ARG 27 HH21 ARG 27 -14.972 -2.029 -9.232 209 HH22 ARG 27 HH22 ARG 27 -13.769 -0.847 -8.837 210 H ARG 28 HN ARG 28 -10.831 -2.594 -0.494 211 HA ARG 28 HA ARG 28 -8.312 -3.214 0.605 212 HB2 ARG 28 HB2 ARG 28 -9.714 -4.459 2.347 213 HB3 ARG 28 HB3 ARG 28 -9.990 -2.736 2.186 214 HG2 ARG 28 HG2 ARG 28 -12.078 -3.001 1.401 215 HG3 ARG 28 HG3 ARG 28 -11.694 -4.500 0.549 216 HD2 ARG 28 HD2 ARG 28 -11.444 -5.509 2.884 217 HD3 ARG 28 HD3 ARG 28 -12.303 -4.081 3.454 218 HE ARG 28 HE ARG 28 -13.843 -5.091 1.417 219 HH11 ARG 28 HH11 ARG 28 -13.965 -7.342 4.727 220 HH12 ARG 28 HH12 ARG 28 -12.623 -6.279 4.459 221 HH21 ARG 28 HH21 ARG 28 -15.663 -7.458 3.197 222 HH22 ARG 28 HH22 ARG 28 -15.612 -6.486 1.764 223 H SER 29 HN SER 29 -10.739 -5.066 -1.084 224 HA SER 29 HA SER 29 -9.615 -7.623 -0.556 225 HB2 SER 29 HB2 SER 29 -11.950 -7.376 -1.273 226 HB3 SER 29 HB3 SER 29 -11.414 -6.715 -2.817 227 HG SER 29 HG SER 29 -10.808 -8.662 -3.466 228 H SER 30 HN SER 30 -8.605 -5.007 -2.439 229 HA SER 30 HA SER 30 -7.389 -6.417 -4.594 230 HB2 SER 30 HB2 SER 30 -6.502 -3.785 -3.395 231 HB3 SER 30 HB3 SER 30 -6.104 -4.400 -4.997 232 HG SER 30 HG SER 30 -7.926 -3.643 -5.697 233 H SER 31 HN SER 31 -5.310 -7.180 -4.809 234 HA SER 31 HA SER 31 -3.993 -7.764 -2.296 235 HB2 SER 31 HB2 SER 31 -3.326 -8.662 -5.087 236 HB3 SER 31 HB3 SER 31 -2.586 -9.265 -3.607 237 HG SER 31 HG SER 31 -4.684 -9.999 -2.989 238 H VAL 32 HN VAL 32 -1.782 -7.380 -1.957 239 HA VAL 32 HA VAL 32 -0.892 -4.847 -2.214 240 HB VAL 32 HB VAL 32 1.202 -5.567 -1.471 241 HG11 VAL 32 HG11 VAL 32 0.742 -7.111 0.274 242 HG12 VAL 32 HG12 VAL 32 -0.723 -6.167 -0.001 243 HG13 VAL 32 HG13 VAL 32 -0.603 -7.811 -0.626 244 HG21 VAL 32 HG21 VAL 32 2.038 -7.886 -1.744 245 HG22 VAL 32 HG22 VAL 32 0.653 -8.220 -2.784 246 HG23 VAL 32 HG23 VAL 32 1.853 -7.021 -3.271 247 H ALA 33 HN ALA 33 -0.600 -7.413 -4.589 248 HA ALA 33 HA ALA 33 1.379 -6.262 -6.216 249 HB1 ALA 33 HB1 ALA 33 -0.890 -8.070 -7.035 250 HB2 ALA 33 HB2 ALA 33 0.582 -7.762 -7.958 251 HB3 ALA 33 HB3 ALA 33 0.672 -8.596 -6.407 252 H GLN 34 HN GLN 34 -2.139 -5.854 -6.190 253 HA GLN 34 HA GLN 34 -2.159 -4.227 -8.556 254 HB2 GLN 34 HB2 GLN 34 -4.309 -4.673 -6.485 255 HB3 GLN 34 HB3 GLN 34 -4.537 -3.897 -8.045 256 HG2 GLN 34 HG2 GLN 34 -3.744 -6.762 -7.573 257 HG3 GLN 34 HG3 GLN 34 -5.320 -6.181 -8.109 258 HE21 GLN 34 HE21 GLN 34 -2.014 -6.748 -9.003 259 HE22 GLN 34 HE22 GLN 34 -2.229 -6.573 -10.708 260 H VAL 35 HN VAL 35 -2.609 -3.584 -5.083 261 HA VAL 35 HA VAL 35 -3.069 -0.853 -5.289 262 HB VAL 35 HB VAL 35 -1.666 -1.360 -2.875 263 HG11 VAL 35 HG11 VAL 35 -4.639 -1.346 -3.251 264 HG12 VAL 35 HG12 VAL 35 -3.722 -0.784 -1.853 265 HG13 VAL 35 HG13 VAL 35 -3.660 0.120 -3.366 266 HG21 VAL 35 HG21 VAL 35 -2.888 -3.200 -1.908 267 HG22 VAL 35 HG22 VAL 35 -3.706 -3.489 -3.441 268 HG23 VAL 35 HG23 VAL 35 -1.964 -3.753 -3.302 269 H LYS 36 HN LYS 36 -0.077 -2.690 -4.808 270 HA LYS 36 HA LYS 36 1.629 -0.448 -4.746 271 HB2 LYS 36 HB2 LYS 36 1.997 -3.391 -5.060 272 HB3 LYS 36 HB3 LYS 36 3.344 -2.309 -5.288 273 HG2 LYS 36 HG2 LYS 36 2.996 -3.356 -2.990 274 HG3 LYS 36 HG3 LYS 36 3.331 -1.640 -3.090 275 HD2 LYS 36 HD2 LYS 36 1.295 -1.048 -2.344 276 HD3 LYS 36 HD3 LYS 36 0.502 -2.404 -3.139 277 HE2 LYS 36 HE2 LYS 36 1.378 -3.908 -1.407 278 HE3 LYS 36 HE3 LYS 36 2.131 -2.534 -0.607 279 HZ1 LYS 36 HZ1 LYS 36 -0.784 -2.891 -1.041 280 HZ2 LYS 36 HZ2 LYS 36 -0.058 -1.578 -0.262 281 HZ3 LYS 36 HZ3 LYS 36 0.029 -3.121 0.426 282 H ALA 37 HN ALA 37 0.274 -2.410 -7.307 283 HA ALA 37 HA ALA 37 2.037 -1.811 -9.383 284 HB1 ALA 37 HB1 ALA 37 -0.971 -2.084 -9.553 285 HB2 ALA 37 HB2 ALA 37 0.153 -2.191 -10.906 286 HB3 ALA 37 HB3 ALA 37 0.187 -3.411 -9.634 287 H MET 38 HN MET 38 -0.662 -0.045 -8.005 288 HA MET 38 HA MET 38 -0.505 2.193 -9.747 289 HB2 MET 38 HB2 MET 38 -1.549 2.246 -6.916 290 HB3 MET 38 HB3 MET 38 -2.041 3.255 -8.268 291 HG2 MET 38 HG2 MET 38 -2.914 1.154 -9.357 292 HG3 MET 38 HG3 MET 38 -2.646 0.351 -7.812 293 HE1 MET 38 HE1 MET 38 -5.242 -0.350 -7.848 294 HE2 MET 38 HE2 MET 38 -6.558 0.816 -8.005 295 HE3 MET 38 HE3 MET 38 -5.472 0.523 -9.364 296 H ILE 39 HN ILE 39 0.861 1.336 -6.612 297 HA ILE 39 HA ILE 39 2.045 3.759 -5.931 298 HB ILE 39 HB ILE 39 2.992 0.948 -5.381 299 HG12 ILE 39 HG12 ILE 39 0.834 1.329 -4.411 300 HG13 ILE 39 HG13 ILE 39 2.026 1.412 -3.119 301 HG21 ILE 39 HG21 ILE 39 3.930 3.555 -4.215 302 HG22 ILE 39 HG22 ILE 39 4.249 1.978 -3.491 303 HG23 ILE 39 HG23 ILE 39 4.885 2.357 -5.092 304 HD11 ILE 39 HD11 ILE 39 1.924 3.839 -3.158 305 HD12 ILE 39 HD12 ILE 39 0.761 3.778 -4.482 306 HD13 ILE 39 HD13 ILE 39 0.326 3.141 -2.896 307 H GLU 40 HN GLU 40 3.065 1.306 -8.228 308 HA GLU 40 HA GLU 40 5.680 2.422 -8.646 309 HB2 GLU 40 HB2 GLU 40 5.382 0.081 -9.098 310 HB3 GLU 40 HB3 GLU 40 4.034 0.402 -10.179 311 HG2 GLU 40 HG2 GLU 40 5.567 1.520 -11.735 312 HG3 GLU 40 HG3 GLU 40 6.910 1.143 -10.659 313 H THR 41 HN THR 41 2.501 2.707 -10.087 314 HA THR 41 HA THR 41 3.191 4.073 -12.425 315 HB THR 41 HB THR 41 0.671 4.890 -11.115 316 HG1 THR 41 HG1 THR 41 1.176 2.182 -11.864 317 HG21 THR 41 HG21 THR 41 1.329 3.630 -13.773 318 HG22 THR 41 HG22 THR 41 1.166 5.359 -13.468 319 HG23 THR 41 HG23 THR 41 -0.234 4.298 -13.304 320 H LYS 42 HN LYS 42 3.023 5.144 -9.121 321 HA LYS 42 HA LYS 42 3.310 7.934 -9.979 322 HB2 LYS 42 HB2 LYS 42 2.461 6.668 -7.394 323 HB3 LYS 42 HB3 LYS 42 2.931 8.364 -7.474 324 HG2 LYS 42 HG2 LYS 42 0.706 8.610 -7.809 325 HG3 LYS 42 HG3 LYS 42 1.194 8.316 -9.481 326 HD2 LYS 42 HD2 LYS 42 0.834 5.846 -8.930 327 HD3 LYS 42 HD3 LYS 42 -0.085 6.432 -7.545 328 HE2 LYS 42 HE2 LYS 42 -1.502 5.960 -9.516 329 HE3 LYS 42 HE3 LYS 42 -1.587 7.639 -8.990 330 HZ1 LYS 42 HZ1 LYS 42 -1.410 7.483 -11.388 331 HZ2 LYS 42 HZ2 LYS 42 0.033 6.610 -11.258 332 HZ3 LYS 42 HZ3 LYS 42 -0.029 8.222 -10.749 333 H THR 43 HN THR 43 4.868 5.486 -7.929 334 HA THR 43 HA THR 43 7.097 7.296 -7.408 335 HB THR 43 HB THR 43 7.923 5.682 -5.851 336 HG1 THR 43 HG1 THR 43 6.447 3.664 -5.712 337 HG21 THR 43 HG21 THR 43 4.910 5.817 -5.679 338 HG22 THR 43 HG22 THR 43 6.049 7.000 -5.036 339 HG23 THR 43 HG23 THR 43 5.987 5.375 -4.354 340 H GLY 44 HN GLY 44 6.477 4.173 -8.963 341 HA2 GLY 44 HA1 GLY 44 7.512 3.501 -10.979 342 HA3 GLY 44 HA2 GLY 44 8.828 4.617 -10.655 343 H ILE 45 HN ILE 45 8.010 2.829 -7.912 344 HA ILE 45 HA ILE 45 10.464 1.325 -8.071 345 HB ILE 45 HB ILE 45 8.311 1.169 -5.957 346 HG12 ILE 45 HG12 ILE 45 9.096 3.470 -6.196 347 HG13 ILE 45 HG13 ILE 45 9.665 2.777 -4.686 348 HG21 ILE 45 HG21 ILE 45 11.225 0.409 -5.916 349 HG22 ILE 45 HG22 ILE 45 10.141 0.374 -4.526 350 HG23 ILE 45 HG23 ILE 45 9.852 -0.696 -5.899 351 HD11 ILE 45 HD11 ILE 45 11.280 3.121 -7.202 352 HD12 ILE 45 HD12 ILE 45 11.396 4.100 -5.739 353 HD13 ILE 45 HD13 ILE 45 11.859 2.399 -5.700 354 H ILE 46 HN ILE 46 10.630 -0.616 -9.002 355 HA ILE 46 HA ILE 46 8.469 -2.031 -10.063 356 HB ILE 46 HB ILE 46 10.173 -4.007 -10.041 357 HG12 ILE 46 HG12 ILE 46 12.005 -1.658 -9.513 358 HG13 ILE 46 HG13 ILE 46 11.649 -2.931 -8.347 359 HG21 ILE 46 HG21 ILE 46 9.507 -2.799 -12.020 360 HG22 ILE 46 HG22 ILE 46 10.604 -1.477 -11.618 361 HG23 ILE 46 HG23 ILE 46 11.250 -3.064 -12.039 362 HD11 ILE 46 HD11 ILE 46 12.997 -3.289 -11.010 363 HD12 ILE 46 HD12 ILE 46 13.775 -3.322 -9.427 364 HD13 ILE 46 HD13 ILE 46 12.619 -4.578 -9.867 365 HA PRO 47 HA PRO 47 6.478 -4.058 -6.676 366 HB2 PRO 47 HB2 PRO 47 6.407 -6.303 -8.654 367 HB3 PRO 47 HB3 PRO 47 5.119 -5.658 -7.644 368 HG2 PRO 47 HG2 PRO 47 5.198 -5.018 -10.195 369 HG3 PRO 47 HG3 PRO 47 4.820 -3.776 -8.985 370 HD2 PRO 47 HD2 PRO 47 7.350 -4.254 -10.484 371 HD3 PRO 47 HD3 PRO 47 6.605 -2.721 -9.994 372 H GLU 48 HN GLU 48 8.653 -6.118 -8.581 373 HA GLU 48 HA GLU 48 9.172 -8.080 -6.709 374 HB2 GLU 48 HB2 GLU 48 11.280 -8.476 -7.937 375 HB3 GLU 48 HB3 GLU 48 9.890 -8.296 -8.999 376 HG2 GLU 48 HG2 GLU 48 10.547 -6.006 -9.489 377 HG3 GLU 48 HG3 GLU 48 11.924 -6.160 -8.398 378 H THR 49 HN THR 49 10.050 -4.813 -6.462 379 HA THR 49 HA THR 49 12.057 -5.499 -4.420 380 HB THR 49 HB THR 49 12.798 -4.212 -6.604 381 HG1 THR 49 HG1 THR 49 13.899 -4.636 -4.417 382 HG21 THR 49 HG21 THR 49 11.905 -1.949 -4.822 383 HG22 THR 49 HG22 THR 49 11.131 -2.408 -6.337 384 HG23 THR 49 HG23 THR 49 12.787 -1.807 -6.341 385 H GLN 50 HN GLN 50 9.143 -3.882 -5.162 386 HA GLN 50 HA GLN 50 9.051 -1.858 -3.259 387 HB2 GLN 50 HB2 GLN 50 6.839 -3.592 -4.363 388 HB3 GLN 50 HB3 GLN 50 6.572 -2.157 -3.392 389 HG2 GLN 50 HG2 GLN 50 7.791 -0.843 -5.119 390 HG3 GLN 50 HG3 GLN 50 7.836 -2.298 -6.107 391 HE21 GLN 50 HE21 GLN 50 5.860 0.231 -4.818 392 HE22 GLN 50 HE22 GLN 50 4.467 -0.085 -5.788 393 H ILE 51 HN ILE 51 8.906 -1.831 -1.114 394 HA ILE 51 HA ILE 51 8.033 -4.276 0.278 395 HB ILE 51 HB ILE 51 10.198 -2.365 1.181 396 HG12 ILE 51 HG12 ILE 51 10.909 -3.835 -0.631 397 HG13 ILE 51 HG13 ILE 51 11.731 -4.229 0.861 398 HG21 ILE 51 HG21 ILE 51 9.080 -4.849 2.435 399 HG22 ILE 51 HG22 ILE 51 10.561 -4.050 2.952 400 HG23 ILE 51 HG23 ILE 51 9.018 -3.207 3.076 401 HD11 ILE 51 HD11 ILE 51 10.148 -6.099 1.175 402 HD12 ILE 51 HD12 ILE 51 9.448 -5.724 -0.401 403 HD13 ILE 51 HD13 ILE 51 11.128 -6.244 -0.285 404 H VAL 52 HN VAL 52 5.974 -3.630 0.781 405 HA VAL 52 HA VAL 52 5.642 -1.063 2.129 406 HB VAL 52 HB VAL 52 3.679 -2.915 0.783 407 HG11 VAL 52 HG11 VAL 52 3.122 -0.412 2.351 408 HG12 VAL 52 HG12 VAL 52 1.950 -1.287 1.365 409 HG13 VAL 52 HG13 VAL 52 2.654 -2.056 2.785 410 HG21 VAL 52 HG21 VAL 52 4.850 -1.573 -0.792 411 HG22 VAL 52 HG22 VAL 52 3.260 -0.841 -0.581 412 HG23 VAL 52 HG23 VAL 52 4.670 -0.131 0.206 413 H THR 53 HN THR 53 4.378 -0.992 4.085 414 HA THR 53 HA THR 53 4.061 -3.539 5.487 415 HB THR 53 HB THR 53 5.119 -1.775 7.419 416 HG1 THR 53 HG1 THR 53 6.808 -2.000 5.129 417 HG21 THR 53 HG21 THR 53 6.026 -4.318 6.119 418 HG22 THR 53 HG22 THR 53 5.421 -4.053 7.756 419 HG23 THR 53 HG23 THR 53 7.038 -3.507 7.313 420 H LEU 54 HN LEU 54 2.336 -3.668 6.615 421 HA LEU 54 HA LEU 54 0.668 -1.329 7.057 422 HB2 LEU 54 HB2 LEU 54 0.285 -4.180 6.712 423 HB3 LEU 54 HB3 LEU 54 -0.543 -3.613 8.142 424 HG LEU 54 HG LEU 54 -2.044 -3.609 6.276 425 HD11 LEU 54 HD11 LEU 54 -2.785 -1.281 6.317 426 HD12 LEU 54 HD12 LEU 54 -2.325 -1.836 7.926 427 HD13 LEU 54 HD13 LEU 54 -1.234 -0.801 7.005 428 HD21 LEU 54 HD21 LEU 54 -0.014 -1.845 4.952 429 HD22 LEU 54 HD22 LEU 54 -0.524 -3.456 4.452 430 HD23 LEU 54 HD23 LEU 54 -1.652 -2.106 4.354 431 H ASN 55 HN ASN 55 -0.669 -2.169 9.377 432 HA ASN 55 HA ASN 55 0.978 -1.172 11.399 433 HB2 ASN 55 HB2 ASN 55 -0.801 -2.424 12.893 434 HB3 ASN 55 HB3 ASN 55 -1.274 -1.032 11.921 435 HD21 ASN 55 HD21 ASN 55 -2.329 -1.404 9.914 436 HD22 ASN 55 HD22 ASN 55 -3.230 -2.853 9.647 437 H GLY 56 HN GLY 56 2.938 -2.179 11.598 438 HA2 GLY 56 HA1 GLY 56 4.474 -3.748 12.249 439 HA3 GLY 56 HA2 GLY 56 3.193 -4.404 13.256 440 H LYS 57 HN LYS 57 2.285 -4.412 10.007 441 HA LYS 57 HA LYS 57 2.998 -7.262 9.777 442 HB2 LYS 57 HB2 LYS 57 0.718 -5.784 8.463 443 HB3 LYS 57 HB3 LYS 57 1.035 -7.502 8.327 444 HG2 LYS 57 HG2 LYS 57 -0.225 -5.950 10.498 445 HG3 LYS 57 HG3 LYS 57 -0.590 -7.566 9.892 446 HD2 LYS 57 HD2 LYS 57 1.545 -8.325 10.985 447 HD3 LYS 57 HD3 LYS 57 1.615 -6.742 11.743 448 HE2 LYS 57 HE2 LYS 57 -0.551 -7.130 12.794 449 HE3 LYS 57 HE3 LYS 57 -0.646 -8.713 12.025 450 HZ1 LYS 57 HZ1 LYS 57 1.421 -7.875 13.987 451 HZ2 LYS 57 HZ2 LYS 57 1.303 -9.400 13.266 452 HZ3 LYS 57 HZ3 LYS 57 0.093 -8.870 14.323 453 H ARG 58 HN ARG 58 3.699 -8.067 7.761 454 HA ARG 58 HA ARG 58 4.833 -6.020 6.000 455 HB2 ARG 58 HB2 ARG 58 5.445 -8.954 6.310 456 HB3 ARG 58 HB3 ARG 58 6.167 -7.938 5.076 457 HG2 ARG 58 HG2 ARG 58 6.559 -6.591 7.486 458 HG3 ARG 58 HG3 ARG 58 6.911 -8.286 7.821 459 HD2 ARG 58 HD2 ARG 58 8.015 -6.883 5.411 460 HD3 ARG 58 HD3 ARG 58 8.830 -6.814 6.975 461 HE ARG 58 HE ARG 58 8.838 -9.332 6.825 462 HH11 ARG 58 HH11 ARG 58 9.593 -8.481 2.987 463 HH12 ARG 58 HH12 ARG 58 8.796 -7.313 3.985 464 HH21 ARG 58 HH21 ARG 58 10.215 -10.505 3.857 465 HH22 ARG 58 HH22 ARG 58 9.889 -10.874 5.518 466 H LEU 59 HN LEU 59 4.345 -5.900 3.862 467 HA LEU 59 HA LEU 59 1.888 -7.175 3.036 468 HB2 LEU 59 HB2 LEU 59 3.645 -5.054 1.850 469 HB3 LEU 59 HB3 LEU 59 2.366 -5.785 0.910 470 HG LEU 59 HG LEU 59 1.825 -3.607 2.026 471 HD11 LEU 59 HD11 LEU 59 -0.408 -4.431 2.887 472 HD12 LEU 59 HD12 LEU 59 0.007 -4.873 1.231 473 HD13 LEU 59 HD13 LEU 59 0.170 -6.058 2.526 474 HD21 LEU 59 HD21 LEU 59 1.620 -5.264 4.517 475 HD22 LEU 59 HD22 LEU 59 3.000 -4.228 4.158 476 HD23 LEU 59 HD23 LEU 59 1.398 -3.522 4.350 477 H GLU 60 HN GLU 60 1.799 -9.043 2.084 478 HA GLU 60 HA GLU 60 4.177 -10.035 0.664 479 HB2 GLU 60 HB2 GLU 60 1.876 -11.540 1.917 480 HB3 GLU 60 HB3 GLU 60 3.207 -12.286 1.048 481 HG2 GLU 60 HG2 GLU 60 3.414 -10.693 3.592 482 HG3 GLU 60 HG3 GLU 60 3.546 -12.444 3.439 483 H ASP 61 HN ASP 61 3.946 -11.142 -1.315 484 HA ASP 61 HA ASP 61 2.095 -9.995 -3.110 485 HB2 ASP 61 HB2 ASP 61 3.855 -12.436 -3.433 486 HB3 ASP 61 HB3 ASP 61 2.999 -11.631 -4.745 487 H GLY 62 HN GLY 62 0.213 -10.753 -3.995 488 HA2 GLY 62 HA1 GLY 62 -1.557 -12.217 -4.378 489 HA3 GLY 62 HA2 GLY 62 -0.719 -13.436 -3.428 490 H LYS 63 HN LYS 63 -0.421 -11.150 -1.357 491 HA LYS 63 HA LYS 63 -2.774 -11.867 0.154 492 HB2 LYS 63 HB2 LYS 63 -0.136 -10.967 0.729 493 HB3 LYS 63 HB3 LYS 63 -1.254 -9.795 1.409 494 HG2 LYS 63 HG2 LYS 63 -0.488 -11.707 2.900 495 HG3 LYS 63 HG3 LYS 63 -2.210 -11.360 2.837 496 HD2 LYS 63 HD2 LYS 63 -2.667 -13.246 1.536 497 HD3 LYS 63 HD3 LYS 63 -0.985 -13.414 1.047 498 HE2 LYS 63 HE2 LYS 63 -1.328 -15.130 2.608 499 HE3 LYS 63 HE3 LYS 63 -0.484 -13.863 3.493 500 HZ1 LYS 63 HZ1 LYS 63 -3.423 -14.255 3.538 501 HZ2 LYS 63 HZ2 LYS 63 -2.532 -13.164 4.474 502 HZ3 LYS 63 HZ3 LYS 63 -2.363 -14.827 4.726 503 H MET 64 HN MET 64 -4.449 -10.514 0.753 504 HA MET 64 HA MET 64 -4.684 -8.072 -0.829 505 HB2 MET 64 HB2 MET 64 -6.936 -9.046 0.820 506 HB3 MET 64 HB3 MET 64 -6.936 -8.313 -0.765 507 HG2 MET 64 HG2 MET 64 -6.226 -10.341 -1.783 508 HG3 MET 64 HG3 MET 64 -6.048 -11.121 -0.216 509 HE1 MET 64 HE1 MET 64 -8.061 -11.791 1.340 510 HE2 MET 64 HE2 MET 64 -8.608 -10.115 1.355 511 HE3 MET 64 HE3 MET 64 -9.747 -11.412 0.990 512 H MET 65 HN MET 65 -5.611 -6.197 0.087 513 HA MET 65 HA MET 65 -4.366 -5.325 2.450 514 HB2 MET 65 HB2 MET 65 -6.961 -4.056 1.726 515 HB3 MET 65 HB3 MET 65 -5.432 -3.304 2.156 516 HG2 MET 65 HG2 MET 65 -4.753 -4.355 -0.192 517 HG3 MET 65 HG3 MET 65 -6.483 -4.153 -0.454 518 HE1 MET 65 HE1 MET 65 -6.920 -1.644 1.539 519 HE2 MET 65 HE2 MET 65 -6.735 -0.233 0.496 520 HE3 MET 65 HE3 MET 65 -7.708 -1.603 -0.039 521 H ALA 66 HN ALA 66 -7.432 -6.854 1.826 522 HA ALA 66 HA ALA 66 -8.647 -6.325 4.332 523 HB1 ALA 66 HB1 ALA 66 -9.186 -8.611 2.438 524 HB2 ALA 66 HB2 ALA 66 -10.250 -8.044 3.725 525 HB3 ALA 66 HB3 ALA 66 -9.913 -7.009 2.338 526 H ASP 67 HN ASP 67 -6.364 -8.706 3.249 527 HA ASP 67 HA ASP 67 -6.706 -10.611 5.285 528 HB2 ASP 67 HB2 ASP 67 -5.383 -11.020 3.235 529 HB3 ASP 67 HB3 ASP 67 -4.162 -9.889 3.813 530 H TYR 68 HN TYR 68 -5.289 -7.466 5.262 531 HA TYR 68 HA TYR 68 -3.923 -7.943 7.812 532 HB2 TYR 68 HB2 TYR 68 -3.901 -5.505 6.021 533 HB3 TYR 68 HB3 TYR 68 -2.880 -5.762 7.436 534 HD1 TYR 68 HD1 TYR 68 -3.509 -6.783 3.963 535 HD2 TYR 68 HD2 TYR 68 -0.968 -7.223 7.345 536 HE1 TYR 68 HE1 TYR 68 -1.813 -7.854 2.541 537 HE2 TYR 68 HE2 TYR 68 0.737 -8.295 5.937 538 HH TYR 68 HH TYR 68 0.873 -9.503 3.813 539 H GLY 69 HN GLY 69 -6.937 -7.414 7.019 540 HA2 GLY 69 HA1 GLY 69 -8.752 -6.368 7.962 541 HA3 GLY 69 HA2 GLY 69 -7.827 -6.472 9.454 542 H ILE 70 HN ILE 70 -7.095 -4.612 6.524 543 HA ILE 70 HA ILE 70 -6.475 -2.303 8.038 544 HB ILE 70 HB ILE 70 -6.006 -1.200 6.001 545 HG12 ILE 70 HG12 ILE 70 -7.726 -1.439 4.476 546 HG13 ILE 70 HG13 ILE 70 -6.526 -2.530 3.798 547 HG21 ILE 70 HG21 ILE 70 -4.524 -2.762 4.894 548 HG22 ILE 70 HG22 ILE 70 -4.465 -2.961 6.645 549 HG23 ILE 70 HG23 ILE 70 -5.362 -4.116 5.658 550 HD11 ILE 70 HD11 ILE 70 -8.926 -3.310 5.416 551 HD12 ILE 70 HD12 ILE 70 -8.696 -3.521 3.679 552 HD13 ILE 70 HD13 ILE 70 -7.694 -4.421 4.817 553 H ARG 71 HN ARG 71 -7.433 -0.133 7.295 554 HA ARG 71 HA ARG 71 -10.361 -0.313 7.317 555 HB2 ARG 71 HB2 ARG 71 -10.289 1.725 8.784 556 HB3 ARG 71 HB3 ARG 71 -9.704 0.242 9.524 557 HG2 ARG 71 HG2 ARG 71 -7.395 0.967 9.068 558 HG3 ARG 71 HG3 ARG 71 -8.029 2.488 8.435 559 HD2 ARG 71 HD2 ARG 71 -9.044 2.978 10.592 560 HD3 ARG 71 HD3 ARG 71 -8.461 1.442 11.231 561 HE ARG 71 HE ARG 71 -6.255 2.851 10.279 562 HH11 ARG 71 HH11 ARG 71 -7.630 4.013 13.857 563 HH12 ARG 71 HH12 ARG 71 -8.668 3.143 12.777 564 HH21 ARG 71 HH21 ARG 71 -5.478 4.497 13.242 565 HH22 ARG 71 HH22 ARG 71 -4.881 3.994 11.696 566 H LYS 72 HN LYS 72 -11.386 1.834 6.758 567 HA LYS 72 HA LYS 72 -10.643 2.623 4.187 568 HB2 LYS 72 HB2 LYS 72 -12.081 4.685 5.704 569 HB3 LYS 72 HB3 LYS 72 -12.525 3.870 4.215 570 HG2 LYS 72 HG2 LYS 72 -12.808 2.655 6.953 571 HG3 LYS 72 HG3 LYS 72 -14.098 3.502 6.098 572 HD2 LYS 72 HD2 LYS 72 -13.920 1.884 4.263 573 HD3 LYS 72 HD3 LYS 72 -12.665 1.022 5.153 574 HE2 LYS 72 HE2 LYS 72 -14.782 -0.097 5.462 575 HE3 LYS 72 HE3 LYS 72 -14.274 0.635 6.983 576 HZ1 LYS 72 HZ1 LYS 72 -16.269 1.768 5.097 577 HZ2 LYS 72 HZ2 LYS 72 -15.776 2.481 6.549 578 HZ3 LYS 72 HZ3 LYS 72 -16.618 1.014 6.571 579 H GLY 73 HN GLY 73 -8.876 3.693 3.588 580 HA2 GLY 73 HA1 GLY 73 -7.255 5.331 3.539 581 HA3 GLY 73 HA2 GLY 73 -8.153 6.180 4.791 582 H ASN 74 HN ASN 74 -6.586 2.977 4.709 583 HA ASN 74 HA ASN 74 -5.522 3.402 7.338 584 HB2 ASN 74 HB2 ASN 74 -6.261 1.147 6.122 585 HB3 ASN 74 HB3 ASN 74 -4.567 1.140 5.646 586 HD21 ASN 74 HD21 ASN 74 -5.578 2.586 8.632 587 HD22 ASN 74 HD22 ASN 74 -4.921 1.379 9.674 588 H LEU 75 HN LEU 75 -3.281 3.242 7.874 589 HA LEU 75 HA LEU 75 -1.655 4.865 6.144 590 HB2 LEU 75 HB2 LEU 75 -1.330 3.733 8.896 591 HB3 LEU 75 HB3 LEU 75 0.045 4.421 8.062 592 HG LEU 75 HG LEU 75 -2.493 5.855 8.839 593 HD11 LEU 75 HD11 LEU 75 -0.946 5.460 10.678 594 HD12 LEU 75 HD12 LEU 75 0.366 6.173 9.738 595 HD13 LEU 75 HD13 LEU 75 -0.996 7.171 10.251 596 HD21 LEU 75 HD21 LEU 75 -0.100 6.861 7.299 597 HD22 LEU 75 HD22 LEU 75 -1.747 6.693 6.693 598 HD23 LEU 75 HD23 LEU 75 -1.388 7.874 7.952 599 H LEU 76 HN LEU 76 -0.181 4.216 4.758 600 HA LEU 76 HA LEU 76 0.852 1.461 4.936 601 HB2 LEU 76 HB2 LEU 76 0.457 2.994 2.371 602 HB3 LEU 76 HB3 LEU 76 0.880 1.304 2.550 603 HG LEU 76 HG LEU 76 -1.791 2.561 3.173 604 HD11 LEU 76 HD11 LEU 76 -0.816 0.712 1.007 605 HD12 LEU 76 HD12 LEU 76 -2.520 1.001 1.353 606 HD13 LEU 76 HD13 LEU 76 -1.491 2.331 0.826 607 HD21 LEU 76 HD21 LEU 76 -0.887 -0.303 3.457 608 HD22 LEU 76 HD22 LEU 76 -1.311 0.792 4.772 609 HD23 LEU 76 HD23 LEU 76 -2.545 0.271 3.626 610 H PHE 77 HN PHE 77 3.009 1.339 5.094 611 HA PHE 77 HA PHE 77 4.559 3.768 4.524 612 HB2 PHE 77 HB2 PHE 77 5.094 1.364 6.265 613 HB3 PHE 77 HB3 PHE 77 6.370 2.495 5.831 614 HD1 PHE 77 HD1 PHE 77 6.701 4.420 7.085 615 HD2 PHE 77 HD2 PHE 77 3.009 2.327 7.405 616 HE1 PHE 77 HE1 PHE 77 6.039 5.883 8.949 617 HE2 PHE 77 HE2 PHE 77 2.339 3.787 9.269 618 HZ PHE 77 HZ PHE 77 3.855 5.568 10.044 619 H LEU 78 HN LEU 78 5.573 3.843 2.644 620 HA LEU 78 HA LEU 78 6.074 1.406 1.156 621 HB2 LEU 78 HB2 LEU 78 5.124 3.340 0.000 622 HB3 LEU 78 HB3 LEU 78 6.534 4.297 0.416 623 HG LEU 78 HG LEU 78 7.937 2.805 -0.965 624 HD11 LEU 78 HD11 LEU 78 5.312 1.533 -1.731 625 HD12 LEU 78 HD12 LEU 78 6.877 1.207 -2.476 626 HD13 LEU 78 HD13 LEU 78 6.597 0.775 -0.790 627 HD21 LEU 78 HD21 LEU 78 7.146 3.594 -3.123 628 HD22 LEU 78 HD22 LEU 78 5.566 3.957 -2.429 629 HD23 LEU 78 HD23 LEU 78 6.988 4.859 -1.906 630 H ALA 79 HN ALA 79 8.034 0.624 0.553 631 HA ALA 79 HA ALA 79 10.487 1.976 1.292 632 HB1 ALA 79 HB1 ALA 79 9.743 0.779 3.360 633 HB2 ALA 79 HB2 ALA 79 9.896 -0.735 2.464 634 HB3 ALA 79 HB3 ALA 79 11.318 0.271 2.747 635 H SER 80 HN SER 80 12.411 0.496 0.714 636 HA SER 80 HA SER 80 11.717 -1.162 -1.618 637 HB2 SER 80 HB2 SER 80 13.684 -0.322 -2.790 638 HB3 SER 80 HB3 SER 80 12.622 1.016 -2.354 639 HG SER 80 HG SER 80 14.193 1.821 -1.233 640 H TYR 81 HN TYR 81 13.301 -2.801 -2.164 641 HA TYR 81 HA TYR 81 14.027 -4.440 -0.095 642 HB2 TYR 81 HB2 TYR 81 14.455 -4.358 -2.911 643 HB3 TYR 81 HB3 TYR 81 15.955 -4.843 -2.134 644 HD1 TYR 81 HD1 TYR 81 12.362 -5.673 -2.460 645 HD2 TYR 81 HD2 TYR 81 16.208 -7.017 -1.239 646 HE1 TYR 81 HE1 TYR 81 11.480 -7.955 -2.223 647 HE2 TYR 81 HE2 TYR 81 15.338 -9.304 -0.995 648 HH TYR 81 HH TYR 81 13.161 -10.417 -0.622 649 H SER 82 HN SER 82 15.589 -4.508 1.386 650 HA SER 82 HA SER 82 18.163 -3.275 0.930 651 HB2 SER 82 HB2 SER 82 16.358 -2.268 3.143 652 HB3 SER 82 HB3 SER 82 18.057 -1.839 2.940 653 HG SER 82 HG SER 82 17.320 -1.129 0.746 654 H ILE 83 HN ILE 83 15.957 -4.954 3.092 655 HA ILE 83 HA ILE 83 16.251 -6.620 4.609 656 HB ILE 83 HB ILE 83 18.887 -7.055 3.200 657 HG12 ILE 83 HG12 ILE 83 17.016 -7.161 1.632 658 HG13 ILE 83 HG13 ILE 83 17.671 -8.772 1.907 659 HG21 ILE 83 HG21 ILE 83 17.266 -8.880 4.970 660 HG22 ILE 83 HG22 ILE 83 18.702 -9.354 4.062 661 HG23 ILE 83 HG23 ILE 83 18.828 -8.158 5.352 662 HD11 ILE 83 HD11 ILE 83 15.154 -7.625 3.091 663 HD12 ILE 83 HD12 ILE 83 15.275 -8.869 1.847 664 HD13 ILE 83 HD13 ILE 83 15.827 -9.207 3.488 665 H GLY 84 HN GLY 84 16.385 -5.576 6.533 666 HA2 GLY 84 HA1 GLY 84 18.088 -5.729 8.424 667 HA3 GLY 84 HA2 GLY 84 19.054 -4.672 7.406 668 H GLY 85 HN GLY 85 19.131 -2.869 8.642 669 HA2 GLY 85 HA1 GLY 85 16.823 -1.186 8.682 670 HA3 GLY 85 HA2 GLY 85 17.194 -1.808 10.284 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -17.900 15.152 -5.514 2 H2 GLY 1 H2 GLY 1 -16.272 15.399 -5.903 3 H3 GLY 1 H3 GLY 1 -17.224 16.698 -5.386 4 HA2 GLY 1 HA2 GLY 1 -15.765 15.952 -3.612 5 HA3 GLY 1 HA1 GLY 1 -17.459 15.731 -3.202 6 H ALA 2 HN ALA 2 -14.876 13.940 -4.885 7 HA ALA 2 HA ALA 2 -14.163 11.788 -4.735 8 HB1 ALA 2 HB1 ALA 2 -13.921 12.304 -2.346 9 HB2 ALA 2 HB2 ALA 2 -15.580 11.776 -2.072 10 HB3 ALA 2 HB3 ALA 2 -14.365 10.620 -2.618 11 H MET 3 HN MET 3 -14.854 9.609 -5.044 12 HA MET 3 HA MET 3 -17.717 9.093 -5.076 13 HB2 MET 3 HB2 MET 3 -17.804 8.464 -7.396 14 HB3 MET 3 HB3 MET 3 -17.178 10.102 -7.292 15 HG2 MET 3 HG2 MET 3 -15.496 7.634 -7.658 16 HG3 MET 3 HG3 MET 3 -16.009 8.715 -8.952 17 HE1 MET 3 HE1 MET 3 -14.144 12.031 -8.033 18 HE2 MET 3 HE2 MET 3 -15.164 11.219 -9.220 19 HE3 MET 3 HE3 MET 3 -15.789 11.560 -7.608 20 H GLY 4 HN GLY 4 -18.215 6.811 -5.539 21 HA2 GLY 4 HA1 GLY 4 -17.302 4.554 -5.874 22 HA3 GLY 4 HA2 GLY 4 -15.943 5.044 -4.874 23 H ASP 5 HN ASP 5 -17.326 2.750 -4.292 24 HA ASP 5 HA ASP 5 -18.409 3.423 -1.670 25 HB2 ASP 5 HB2 ASP 5 -20.387 3.294 -3.123 26 HB3 ASP 5 HB3 ASP 5 -19.900 1.684 -3.649 27 H GLU 6 HN GLU 6 -16.996 1.172 -3.896 28 HA GLU 6 HA GLU 6 -16.729 -0.884 -1.841 29 HB2 GLU 6 HB2 GLU 6 -15.849 -0.909 -4.734 30 HB3 GLU 6 HB3 GLU 6 -15.816 -2.280 -3.634 31 HG2 GLU 6 HG2 GLU 6 -18.265 -2.160 -3.446 32 HG3 GLU 6 HG3 GLU 6 -18.269 -0.832 -4.606 33 H GLU 7 HN GLU 7 -14.635 0.992 -4.025 34 HA GLU 7 HA GLU 7 -12.190 0.141 -2.945 35 HB2 GLU 7 HB2 GLU 7 -12.768 2.818 -4.223 36 HB3 GLU 7 HB3 GLU 7 -11.204 2.023 -4.102 37 HG2 GLU 7 HG2 GLU 7 -12.036 0.217 -5.547 38 HG3 GLU 7 HG3 GLU 7 -13.567 1.076 -5.707 39 H LEU 8 HN LEU 8 -10.850 0.974 -1.373 40 HA LEU 8 HA LEU 8 -12.072 2.971 0.414 41 HB2 LEU 8 HB2 LEU 8 -10.234 0.671 1.075 42 HB3 LEU 8 HB3 LEU 8 -10.700 1.915 2.218 43 HG LEU 8 HG LEU 8 -12.545 -0.078 0.899 44 HD11 LEU 8 HD11 LEU 8 -11.646 0.235 3.759 45 HD12 LEU 8 HD12 LEU 8 -12.829 -0.934 3.168 46 HD13 LEU 8 HD13 LEU 8 -11.147 -1.038 2.644 47 HD21 LEU 8 HD21 LEU 8 -14.269 0.873 2.387 48 HD22 LEU 8 HD22 LEU 8 -13.138 2.144 2.852 49 HD23 LEU 8 HD23 LEU 8 -13.699 2.029 1.184 50 HA PRO 9 HA PRO 9 -8.518 5.501 -0.208 51 HB2 PRO 9 HB2 PRO 9 -8.624 6.591 2.465 52 HB3 PRO 9 HB3 PRO 9 -9.176 7.323 0.960 53 HG2 PRO 9 HG2 PRO 9 -10.856 6.520 2.966 54 HG3 PRO 9 HG3 PRO 9 -11.332 6.616 1.261 55 HD2 PRO 9 HD2 PRO 9 -10.519 4.225 2.871 56 HD3 PRO 9 HD3 PRO 9 -11.813 4.379 1.664 57 H LEU 10 HN LEU 10 -6.350 6.034 0.584 58 HA LEU 10 HA LEU 10 -5.283 4.410 2.734 59 HB2 LEU 10 HB2 LEU 10 -4.423 4.084 -0.132 60 HB3 LEU 10 HB3 LEU 10 -3.464 3.551 1.232 61 HG LEU 10 HG LEU 10 -6.266 2.588 0.769 62 HD11 LEU 10 HD11 LEU 10 -3.693 1.320 -0.157 63 HD12 LEU 10 HD12 LEU 10 -5.291 0.581 -0.235 64 HD13 LEU 10 HD13 LEU 10 -4.937 2.019 -1.192 65 HD21 LEU 10 HD21 LEU 10 -5.448 2.288 3.020 66 HD22 LEU 10 HD22 LEU 10 -5.526 0.728 2.202 67 HD23 LEU 10 HD23 LEU 10 -3.973 1.536 2.414 68 H PHE 11 HN PHE 11 -2.954 4.823 3.054 69 HA PHE 11 HA PHE 11 -2.216 7.566 2.274 70 HB2 PHE 11 HB2 PHE 11 -2.225 6.323 5.014 71 HB3 PHE 11 HB3 PHE 11 -1.269 7.754 4.644 72 HD1 PHE 11 HD1 PHE 11 -4.297 6.627 5.917 73 HD2 PHE 11 HD2 PHE 11 -2.667 9.660 3.422 74 HE1 PHE 11 HE1 PHE 11 -6.269 8.031 6.346 75 HE2 PHE 11 HE2 PHE 11 -4.631 11.075 3.844 76 HZ PHE 11 HZ PHE 11 -6.441 10.257 5.324 77 H LEU 12 HN LEU 12 -0.469 7.275 0.999 78 HA LEU 12 HA LEU 12 1.451 5.189 1.588 79 HB2 LEU 12 HB2 LEU 12 0.599 6.031 -0.729 80 HB3 LEU 12 HB3 LEU 12 1.792 7.295 -0.517 81 HG LEU 12 HG LEU 12 2.585 5.421 -1.903 82 HD11 LEU 12 HD11 LEU 12 4.162 6.822 -0.638 83 HD12 LEU 12 HD12 LEU 12 4.080 5.676 0.699 84 HD13 LEU 12 HD13 LEU 12 4.746 5.174 -0.854 85 HD21 LEU 12 HD21 LEU 12 2.401 3.812 0.638 86 HD22 LEU 12 HD22 LEU 12 1.371 3.617 -0.781 87 HD23 LEU 12 HD23 LEU 12 3.098 3.272 -0.889 88 H VAL 13 HN VAL 13 3.045 5.498 3.006 89 HA VAL 13 HA VAL 13 4.150 8.209 3.316 90 HB VAL 13 HB VAL 13 4.257 6.083 5.443 91 HG11 VAL 13 HG11 VAL 13 4.537 9.081 5.491 92 HG12 VAL 13 HG12 VAL 13 4.573 8.035 6.912 93 HG13 VAL 13 HG13 VAL 13 5.828 7.896 5.682 94 HG21 VAL 13 HG21 VAL 13 2.323 7.140 6.511 95 HG22 VAL 13 HG22 VAL 13 2.133 8.202 5.114 96 HG23 VAL 13 HG23 VAL 13 1.902 6.462 4.939 97 H GLU 14 HN GLU 14 6.053 8.284 2.294 98 HA GLU 14 HA GLU 14 7.648 6.022 1.724 99 HB2 GLU 14 HB2 GLU 14 7.867 8.957 1.373 100 HB3 GLU 14 HB3 GLU 14 9.364 8.044 1.331 101 HG2 GLU 14 HG2 GLU 14 6.993 7.309 -0.345 102 HG3 GLU 14 HG3 GLU 14 8.206 8.472 -0.874 103 H SER 15 HN SER 15 9.126 5.012 2.893 104 HA SER 15 HA SER 15 9.603 5.627 5.597 105 HB2 SER 15 HB2 SER 15 9.777 3.345 4.726 106 HB3 SER 15 HB3 SER 15 11.159 3.816 3.739 107 HG SER 15 HG SER 15 11.938 2.889 5.603 108 H GLY 16 HN GLY 16 11.684 6.004 2.738 109 HA2 GLY 16 HA1 GLY 16 13.914 7.016 4.086 110 HA3 GLY 16 HA2 GLY 16 13.540 7.314 2.394 111 H ASP 17 HN ASP 17 11.059 8.662 2.839 112 HA ASP 17 HA ASP 17 11.756 10.985 4.460 113 HB2 ASP 17 HB2 ASP 17 11.103 11.165 1.511 114 HB3 ASP 17 HB3 ASP 17 11.244 12.540 2.601 115 H GLU 18 HN GLU 18 10.061 10.981 5.800 116 HA GLU 18 HA GLU 18 7.489 10.046 5.189 117 HB2 GLU 18 HB2 GLU 18 6.798 11.234 7.271 118 HB3 GLU 18 HB3 GLU 18 8.193 10.182 7.479 119 HG2 GLU 18 HG2 GLU 18 9.655 12.160 7.262 120 HG3 GLU 18 HG3 GLU 18 8.215 13.176 7.208 121 H ALA 19 HN ALA 19 9.044 12.961 4.394 122 HA ALA 19 HA ALA 19 6.911 14.769 4.311 123 HB1 ALA 19 HB1 ALA 19 8.268 16.051 2.750 124 HB2 ALA 19 HB2 ALA 19 9.260 15.431 4.069 125 HB3 ALA 19 HB3 ALA 19 9.312 14.654 2.487 126 H LYS 20 HN LYS 20 7.892 12.236 2.098 127 HA LYS 20 HA LYS 20 6.167 13.044 -0.027 128 HB2 LYS 20 HB2 LYS 20 7.182 10.242 0.322 129 HB3 LYS 20 HB3 LYS 20 6.906 11.137 -1.163 130 HG2 LYS 20 HG2 LYS 20 9.117 11.654 0.815 131 HG3 LYS 20 HG3 LYS 20 9.281 10.823 -0.733 132 HD2 LYS 20 HD2 LYS 20 8.444 12.911 -1.836 133 HD3 LYS 20 HD3 LYS 20 8.547 13.709 -0.268 134 HE2 LYS 20 HE2 LYS 20 10.938 13.216 -0.169 135 HE3 LYS 20 HE3 LYS 20 10.840 12.404 -1.732 136 HZ1 LYS 20 HZ1 LYS 20 11.666 14.639 -1.998 137 HZ2 LYS 20 HZ2 LYS 20 10.310 15.281 -1.218 138 HZ3 LYS 20 HZ3 LYS 20 10.139 14.516 -2.717 139 H ARG 21 HN ARG 21 4.024 13.092 0.370 140 HA ARG 21 HA ARG 21 2.803 10.658 1.488 141 HB2 ARG 21 HB2 ARG 21 2.549 13.439 2.362 142 HB3 ARG 21 HB3 ARG 21 1.001 12.650 2.080 143 HG2 ARG 21 HG2 ARG 21 3.152 11.436 3.771 144 HG3 ARG 21 HG3 ARG 21 1.886 12.491 4.412 145 HD2 ARG 21 HD2 ARG 21 1.315 10.037 2.775 146 HD3 ARG 21 HD3 ARG 21 1.424 10.018 4.534 147 HE ARG 21 HE ARG 21 -0.724 11.093 2.943 148 HH11 ARG 21 HH11 ARG 21 -0.540 11.657 6.905 149 HH12 ARG 21 HH12 ARG 21 0.850 11.075 6.053 150 HH21 ARG 21 HH21 ARG 21 -2.474 12.115 5.772 151 HH22 ARG 21 HH22 ARG 21 -2.558 11.877 4.059 152 H HIS 22 HN HIS 22 1.287 9.729 0.296 153 HA HIS 22 HA HIS 22 -0.163 11.307 -1.702 154 HB2 HIS 22 HB2 HIS 22 0.642 8.727 -2.787 155 HB3 HIS 22 HB3 HIS 22 0.777 10.333 -3.498 156 HD2 HIS 22 HD2 HIS 22 3.028 7.615 -2.276 157 HE1 HIS 22 HE1 HIS 22 5.210 11.198 -1.797 158 H LEU 23 HN LEU 23 -2.256 10.906 -1.499 159 HA LEU 23 HA LEU 23 -3.184 8.540 -0.090 160 HB2 LEU 23 HB2 LEU 23 -4.041 10.980 0.151 161 HB3 LEU 23 HB3 LEU 23 -4.930 10.649 -1.318 162 HG LEU 23 HG LEU 23 -5.230 9.126 1.273 163 HD11 LEU 23 HD11 LEU 23 -7.402 10.233 1.416 164 HD12 LEU 23 HD12 LEU 23 -6.077 11.398 1.445 165 HD13 LEU 23 HD13 LEU 23 -7.020 11.168 -0.029 166 HD21 LEU 23 HD21 LEU 23 -7.316 8.290 0.107 167 HD22 LEU 23 HD22 LEU 23 -6.613 8.905 -1.389 168 HD23 LEU 23 HD23 LEU 23 -5.785 7.641 -0.478 169 H LEU 24 HN LEU 24 -4.141 6.800 -1.016 170 HA LEU 24 HA LEU 24 -4.831 6.976 -3.874 171 HB2 LEU 24 HB2 LEU 24 -3.544 4.595 -2.558 172 HB3 LEU 24 HB3 LEU 24 -3.949 4.761 -4.250 173 HG LEU 24 HG LEU 24 -1.858 6.368 -2.783 174 HD11 LEU 24 HD11 LEU 24 -0.268 5.110 -4.142 175 HD12 LEU 24 HD12 LEU 24 -1.209 4.038 -3.105 176 HD13 LEU 24 HD13 LEU 24 -1.591 4.161 -4.822 177 HD21 LEU 24 HD21 LEU 24 -2.611 6.308 -5.701 178 HD22 LEU 24 HD22 LEU 24 -2.927 7.629 -4.578 179 HD23 LEU 24 HD23 LEU 24 -1.267 7.207 -4.996 180 H GLN 25 HN GLN 25 -6.675 6.013 -4.496 181 HA GLN 25 HA GLN 25 -8.346 4.843 -2.389 182 HB2 GLN 25 HB2 GLN 25 -10.094 5.207 -4.376 183 HB3 GLN 25 HB3 GLN 25 -9.684 6.475 -3.227 184 HG2 GLN 25 HG2 GLN 25 -9.607 7.456 -5.370 185 HG3 GLN 25 HG3 GLN 25 -7.938 7.233 -4.843 186 HE21 GLN 25 HE21 GLN 25 -6.667 5.649 -5.818 187 HE22 GLN 25 HE22 GLN 25 -7.083 4.953 -7.342 188 H VAL 26 HN VAL 26 -7.932 2.748 -2.342 189 HA VAL 26 HA VAL 26 -8.607 1.160 -4.702 190 HB VAL 26 HB VAL 26 -6.078 0.773 -3.097 191 HG11 VAL 26 HG11 VAL 26 -7.009 -1.382 -3.626 192 HG12 VAL 26 HG12 VAL 26 -7.269 -0.899 -5.303 193 HG13 VAL 26 HG13 VAL 26 -5.629 -1.079 -4.682 194 HG21 VAL 26 HG21 VAL 26 -4.952 1.166 -5.240 195 HG22 VAL 26 HG22 VAL 26 -6.515 1.501 -5.986 196 HG23 VAL 26 HG23 VAL 26 -5.898 2.561 -4.719 197 H ARG 27 HN ARG 27 -9.399 -0.921 -4.249 198 HA ARG 27 HA ARG 27 -10.802 -1.182 -1.807 199 HB2 ARG 27 HB2 ARG 27 -10.226 -3.448 -3.704 200 HB3 ARG 27 HB3 ARG 27 -11.606 -3.255 -2.634 201 HG2 ARG 27 HG2 ARG 27 -12.392 -1.383 -3.990 202 HG3 ARG 27 HG3 ARG 27 -11.000 -1.591 -5.053 203 HD2 ARG 27 HD2 ARG 27 -11.752 -3.785 -5.696 204 HD3 ARG 27 HD3 ARG 27 -13.066 -3.718 -4.524 205 HE ARG 27 HE ARG 27 -13.291 -1.556 -6.312 206 HH11 ARG 27 HH11 ARG 27 -14.842 -5.066 -7.459 207 HH12 ARG 27 HH12 ARG 27 -13.649 -5.020 -6.205 208 HH21 ARG 27 HH21 ARG 27 -15.530 -3.128 -8.462 209 HH22 ARG 27 HH22 ARG 27 -14.862 -1.607 -7.968 210 H ARG 28 HN ARG 28 -10.642 -2.889 -0.274 211 HA ARG 28 HA ARG 28 -7.950 -3.376 0.583 212 HB2 ARG 28 HB2 ARG 28 -8.941 -4.449 2.501 213 HB3 ARG 28 HB3 ARG 28 -9.760 -2.924 2.187 214 HG2 ARG 28 HG2 ARG 28 -11.361 -4.479 0.810 215 HG3 ARG 28 HG3 ARG 28 -10.746 -5.696 1.926 216 HD2 ARG 28 HD2 ARG 28 -11.637 -3.062 2.914 217 HD3 ARG 28 HD3 ARG 28 -12.848 -4.289 2.548 218 HE ARG 28 HE ARG 28 -11.509 -5.715 4.168 219 HH11 ARG 28 HH11 ARG 28 -11.420 -2.220 6.121 220 HH12 ARG 28 HH12 ARG 28 -11.668 -2.241 4.407 221 HH21 ARG 28 HH21 ARG 28 -11.144 -4.184 7.267 222 HH22 ARG 28 HH22 ARG 28 -11.186 -5.696 6.424 223 H SER 29 HN SER 29 -10.530 -5.101 -0.954 224 HA SER 29 HA SER 29 -9.414 -7.698 -0.718 225 HB2 SER 29 HB2 SER 29 -11.296 -6.572 -2.809 226 HB3 SER 29 HB3 SER 29 -10.975 -8.286 -2.548 227 HG SER 29 HG SER 29 -12.235 -8.267 -0.847 228 H SER 30 HN SER 30 -8.427 -4.919 -2.218 229 HA SER 30 HA SER 30 -7.303 -6.080 -4.610 230 HB2 SER 30 HB2 SER 30 -6.492 -3.532 -3.201 231 HB3 SER 30 HB3 SER 30 -6.095 -3.987 -4.855 232 HG SER 30 HG SER 30 -8.708 -4.150 -4.660 233 H SER 31 HN SER 31 -5.490 -7.236 -4.756 234 HA SER 31 HA SER 31 -3.978 -7.740 -2.380 235 HB2 SER 31 HB2 SER 31 -2.747 -9.323 -3.670 236 HB3 SER 31 HB3 SER 31 -4.441 -9.475 -4.129 237 HG SER 31 HG SER 31 -3.860 -9.036 -6.090 238 H VAL 32 HN VAL 32 -1.834 -7.292 -2.024 239 HA VAL 32 HA VAL 32 -0.868 -4.806 -2.431 240 HB VAL 32 HB VAL 32 1.162 -5.505 -1.574 241 HG11 VAL 32 HG11 VAL 32 -0.537 -7.830 -0.750 242 HG12 VAL 32 HG12 VAL 32 0.693 -6.986 0.190 243 HG13 VAL 32 HG13 VAL 32 -0.833 -6.185 -0.188 244 HG21 VAL 32 HG21 VAL 32 2.063 -7.807 -1.804 245 HG22 VAL 32 HG22 VAL 32 0.728 -8.171 -2.898 246 HG23 VAL 32 HG23 VAL 32 1.918 -6.944 -3.336 247 H ALA 33 HN ALA 33 -0.666 -7.514 -4.651 248 HA ALA 33 HA ALA 33 1.372 -6.561 -6.329 249 HB1 ALA 33 HB1 ALA 33 0.516 -8.112 -7.984 250 HB2 ALA 33 HB2 ALA 33 0.525 -8.860 -6.387 251 HB3 ALA 33 HB3 ALA 33 -0.988 -8.277 -7.079 252 H GLN 34 HN GLN 34 -2.149 -6.057 -6.460 253 HA GLN 34 HA GLN 34 -1.981 -4.493 -8.881 254 HB2 GLN 34 HB2 GLN 34 -4.308 -4.788 -6.979 255 HB3 GLN 34 HB3 GLN 34 -4.372 -4.209 -8.636 256 HG2 GLN 34 HG2 GLN 34 -3.743 -6.397 -9.458 257 HG3 GLN 34 HG3 GLN 34 -3.581 -6.991 -7.806 258 HE21 GLN 34 HE21 GLN 34 -5.912 -5.507 -6.871 259 HE22 GLN 34 HE22 GLN 34 -7.292 -6.354 -7.474 260 H VAL 35 HN VAL 35 -2.411 -3.949 -5.458 261 HA VAL 35 HA VAL 35 -2.961 -1.196 -5.513 262 HB VAL 35 HB VAL 35 -1.571 -2.815 -3.365 263 HG11 VAL 35 HG11 VAL 35 -3.177 -0.293 -3.127 264 HG12 VAL 35 HG12 VAL 35 -2.330 -1.146 -1.838 265 HG13 VAL 35 HG13 VAL 35 -1.413 -0.367 -3.128 266 HG21 VAL 35 HG21 VAL 35 -3.693 -3.827 -3.991 267 HG22 VAL 35 HG22 VAL 35 -3.814 -3.082 -2.398 268 HG23 VAL 35 HG23 VAL 35 -4.506 -2.275 -3.803 269 H LYS 36 HN LYS 36 0.082 -2.966 -5.001 270 HA LYS 36 HA LYS 36 1.752 -0.716 -4.959 271 HB2 LYS 36 HB2 LYS 36 2.152 -3.647 -5.311 272 HB3 LYS 36 HB3 LYS 36 3.487 -2.555 -5.571 273 HG2 LYS 36 HG2 LYS 36 3.197 -3.607 -3.262 274 HG3 LYS 36 HG3 LYS 36 3.522 -1.889 -3.375 275 HD2 LYS 36 HD2 LYS 36 1.437 -1.287 -2.705 276 HD3 LYS 36 HD3 LYS 36 0.702 -2.768 -3.309 277 HE2 LYS 36 HE2 LYS 36 1.813 -4.001 -1.461 278 HE3 LYS 36 HE3 LYS 36 2.405 -2.465 -0.840 279 HZ1 LYS 36 HZ1 LYS 36 0.127 -1.737 -0.541 280 HZ2 LYS 36 HZ2 LYS 36 0.399 -3.177 0.303 281 HZ3 LYS 36 HZ3 LYS 36 -0.453 -3.202 -1.157 282 H ALA 37 HN ALA 37 0.357 -2.615 -7.516 283 HA ALA 37 HA ALA 37 2.084 -1.979 -9.621 284 HB1 ALA 37 HB1 ALA 37 -0.930 -2.178 -9.786 285 HB2 ALA 37 HB2 ALA 37 0.213 -2.367 -11.116 286 HB3 ALA 37 HB3 ALA 37 0.169 -3.556 -9.814 287 H MET 38 HN MET 38 -0.589 -0.254 -8.142 288 HA MET 38 HA MET 38 -0.419 2.050 -9.793 289 HB2 MET 38 HB2 MET 38 -1.524 1.806 -6.990 290 HB3 MET 38 HB3 MET 38 -1.835 3.121 -8.115 291 HG2 MET 38 HG2 MET 38 -2.559 0.845 -9.513 292 HG3 MET 38 HG3 MET 38 -3.122 0.547 -7.870 293 HE1 MET 38 HE1 MET 38 -5.305 3.696 -7.184 294 HE2 MET 38 HE2 MET 38 -4.151 2.548 -6.500 295 HE3 MET 38 HE3 MET 38 -3.573 4.022 -7.281 296 H ILE 39 HN ILE 39 0.976 1.077 -6.686 297 HA ILE 39 HA ILE 39 2.163 3.460 -5.917 298 HB ILE 39 HB ILE 39 3.185 0.638 -5.593 299 HG12 ILE 39 HG12 ILE 39 1.079 0.986 -4.474 300 HG13 ILE 39 HG13 ILE 39 2.358 0.941 -3.264 301 HG21 ILE 39 HG21 ILE 39 4.191 3.186 -4.355 302 HG22 ILE 39 HG22 ILE 39 4.549 1.576 -3.728 303 HG23 ILE 39 HG23 ILE 39 5.088 2.032 -5.344 304 HD11 ILE 39 HD11 ILE 39 0.747 2.675 -2.764 305 HD12 ILE 39 HD12 ILE 39 2.320 3.380 -3.142 306 HD13 ILE 39 HD13 ILE 39 1.027 3.413 -4.341 307 H GLU 40 HN GLU 40 3.077 1.244 -8.454 308 HA GLU 40 HA GLU 40 5.672 2.427 -8.899 309 HB2 GLU 40 HB2 GLU 40 5.353 0.092 -9.471 310 HB3 GLU 40 HB3 GLU 40 4.010 0.496 -10.534 311 HG2 GLU 40 HG2 GLU 40 5.541 1.703 -12.007 312 HG3 GLU 40 HG3 GLU 40 6.885 1.290 -10.943 313 H THR 41 HN THR 41 2.433 2.651 -10.228 314 HA THR 41 HA THR 41 2.961 4.213 -12.470 315 HB THR 41 HB THR 41 0.487 4.804 -10.936 316 HG1 THR 41 HG1 THR 41 -0.326 2.701 -11.559 317 HG21 THR 41 HG21 THR 41 1.026 3.924 -13.766 318 HG22 THR 41 HG22 THR 41 0.827 5.593 -13.233 319 HG23 THR 41 HG23 THR 41 -0.525 4.466 -13.127 320 H LYS 42 HN LYS 42 3.002 5.049 -9.105 321 HA LYS 42 HA LYS 42 3.105 7.902 -9.769 322 HB2 LYS 42 HB2 LYS 42 2.509 6.420 -7.232 323 HB3 LYS 42 HB3 LYS 42 2.919 8.132 -7.214 324 HG2 LYS 42 HG2 LYS 42 0.672 8.333 -7.365 325 HG3 LYS 42 HG3 LYS 42 1.030 8.160 -9.086 326 HD2 LYS 42 HD2 LYS 42 0.779 5.655 -8.684 327 HD3 LYS 42 HD3 LYS 42 -0.020 6.110 -7.180 328 HE2 LYS 42 HE2 LYS 42 -1.593 5.724 -9.059 329 HE3 LYS 42 HE3 LYS 42 -1.696 7.346 -8.377 330 HZ1 LYS 42 HZ1 LYS 42 -0.255 6.594 -10.864 331 HZ2 LYS 42 HZ2 LYS 42 -0.328 8.151 -10.208 332 HZ3 LYS 42 HZ3 LYS 42 -1.735 7.411 -10.784 333 H THR 43 HN THR 43 4.850 5.484 -7.794 334 HA THR 43 HA THR 43 7.063 7.333 -7.429 335 HB THR 43 HB THR 43 8.053 5.681 -5.987 336 HG1 THR 43 HG1 THR 43 6.650 3.963 -7.494 337 HG21 THR 43 HG21 THR 43 6.244 6.986 -5.003 338 HG22 THR 43 HG22 THR 43 6.256 5.353 -4.337 339 HG23 THR 43 HG23 THR 43 5.065 5.798 -5.558 340 H GLY 44 HN GLY 44 6.387 4.313 -9.129 341 HA2 GLY 44 HA1 GLY 44 7.349 3.770 -11.217 342 HA3 GLY 44 HA2 GLY 44 8.692 4.844 -10.858 343 H ILE 45 HN ILE 45 8.202 3.110 -8.113 344 HA ILE 45 HA ILE 45 10.517 1.484 -8.557 345 HB ILE 45 HB ILE 45 8.566 1.307 -6.256 346 HG12 ILE 45 HG12 ILE 45 9.340 3.600 -6.447 347 HG13 ILE 45 HG13 ILE 45 10.107 2.834 -5.065 348 HG21 ILE 45 HG21 ILE 45 10.493 0.430 -5.026 349 HG22 ILE 45 HG22 ILE 45 10.080 -0.579 -6.411 350 HG23 ILE 45 HG23 ILE 45 11.461 0.515 -6.497 351 HD11 ILE 45 HD11 ILE 45 11.692 4.203 -6.259 352 HD12 ILE 45 HD12 ILE 45 12.137 2.503 -6.404 353 HD13 ILE 45 HD13 ILE 45 11.361 3.329 -7.755 354 H ILE 46 HN ILE 46 10.643 -0.659 -9.054 355 HA ILE 46 HA ILE 46 8.288 -1.910 -10.103 356 HB ILE 46 HB ILE 46 9.968 -3.926 -10.290 357 HG12 ILE 46 HG12 ILE 46 11.815 -1.554 -9.930 358 HG13 ILE 46 HG13 ILE 46 11.701 -2.949 -8.864 359 HG21 ILE 46 HG21 ILE 46 9.016 -2.693 -12.154 360 HG22 ILE 46 HG22 ILE 46 10.214 -1.416 -11.939 361 HG23 ILE 46 HG23 ILE 46 10.724 -3.032 -12.433 362 HD11 ILE 46 HD11 ILE 46 12.685 -2.917 -11.703 363 HD12 ILE 46 HD12 ILE 46 13.637 -3.183 -10.242 364 HD13 ILE 46 HD13 ILE 46 12.443 -4.378 -10.747 365 HA PRO 47 HA PRO 47 6.581 -4.165 -6.724 366 HB2 PRO 47 HB2 PRO 47 6.849 -6.466 -8.625 367 HB3 PRO 47 HB3 PRO 47 5.483 -5.998 -7.619 368 HG2 PRO 47 HG2 PRO 47 5.450 -5.415 -10.182 369 HG3 PRO 47 HG3 PRO 47 4.900 -4.213 -8.996 370 HD2 PRO 47 HD2 PRO 47 7.445 -4.334 -10.533 371 HD3 PRO 47 HD3 PRO 47 6.500 -2.921 -10.024 372 H GLU 48 HN GLU 48 9.070 -5.976 -8.504 373 HA GLU 48 HA GLU 48 9.800 -7.779 -6.544 374 HB2 GLU 48 HB2 GLU 48 11.956 -7.970 -7.713 375 HB3 GLU 48 HB3 GLU 48 10.591 -7.966 -8.822 376 HG2 GLU 48 HG2 GLU 48 11.013 -5.636 -9.362 377 HG3 GLU 48 HG3 GLU 48 12.357 -5.605 -8.221 378 H THR 49 HN THR 49 10.185 -4.434 -6.376 379 HA THR 49 HA THR 49 12.244 -4.725 -4.285 380 HB THR 49 HB THR 49 12.367 -2.081 -4.884 381 HG1 THR 49 HG1 THR 49 11.406 -1.843 -6.754 382 HG21 THR 49 HG21 THR 49 14.444 -2.595 -6.078 383 HG22 THR 49 HG22 THR 49 13.950 -4.284 -6.208 384 HG23 THR 49 HG23 THR 49 14.276 -3.578 -4.624 385 H GLN 50 HN GLN 50 9.134 -3.544 -5.177 386 HA GLN 50 HA GLN 50 8.691 -1.632 -3.189 387 HB2 GLN 50 HB2 GLN 50 6.724 -3.482 -4.533 388 HB3 GLN 50 HB3 GLN 50 6.297 -2.071 -3.588 389 HG2 GLN 50 HG2 GLN 50 7.775 -0.785 -5.268 390 HG3 GLN 50 HG3 GLN 50 7.571 -2.217 -6.276 391 HE21 GLN 50 HE21 GLN 50 6.330 -1.269 -7.831 392 HE22 GLN 50 HE22 GLN 50 4.731 -0.682 -7.548 393 H ILE 51 HN ILE 51 8.794 -1.903 -1.083 394 HA ILE 51 HA ILE 51 7.630 -4.332 0.101 395 HB ILE 51 HB ILE 51 9.934 -2.773 1.272 396 HG12 ILE 51 HG12 ILE 51 9.874 -4.848 -0.772 397 HG13 ILE 51 HG13 ILE 51 11.198 -3.805 -0.279 398 HG21 ILE 51 HG21 ILE 51 8.790 -5.459 2.027 399 HG22 ILE 51 HG22 ILE 51 10.091 -4.597 2.848 400 HG23 ILE 51 HG23 ILE 51 8.453 -3.944 2.864 401 HD11 ILE 51 HD11 ILE 51 10.386 -6.398 1.020 402 HD12 ILE 51 HD12 ILE 51 11.807 -6.114 0.014 403 HD13 ILE 51 HD13 ILE 51 11.673 -5.334 1.589 404 H VAL 52 HN VAL 52 5.667 -3.517 0.686 405 HA VAL 52 HA VAL 52 5.590 -1.019 2.180 406 HB VAL 52 HB VAL 52 3.489 -2.669 0.793 407 HG11 VAL 52 HG11 VAL 52 3.040 -0.338 2.636 408 HG12 VAL 52 HG12 VAL 52 1.822 -1.063 1.588 409 HG13 VAL 52 HG13 VAL 52 2.531 -2.005 2.895 410 HG21 VAL 52 HG21 VAL 52 4.751 -1.145 -0.602 411 HG22 VAL 52 HG22 VAL 52 3.098 -0.560 -0.417 412 HG23 VAL 52 HG23 VAL 52 4.406 0.188 0.500 413 H THR 53 HN THR 53 4.359 -0.947 4.181 414 HA THR 53 HA THR 53 4.023 -3.525 5.526 415 HB THR 53 HB THR 53 5.072 -1.760 7.476 416 HG1 THR 53 HG1 THR 53 6.864 -0.954 6.605 417 HG21 THR 53 HG21 THR 53 6.996 -3.513 7.354 418 HG22 THR 53 HG22 THR 53 5.927 -4.332 6.214 419 HG23 THR 53 HG23 THR 53 5.383 -4.012 7.863 420 H LEU 54 HN LEU 54 2.146 -3.640 6.366 421 HA LEU 54 HA LEU 54 0.533 -1.313 6.862 422 HB2 LEU 54 HB2 LEU 54 0.159 -4.162 6.538 423 HB3 LEU 54 HB3 LEU 54 -0.700 -3.588 7.947 424 HG LEU 54 HG LEU 54 -2.132 -3.598 6.004 425 HD11 LEU 54 HD11 LEU 54 -2.585 -1.915 7.668 426 HD12 LEU 54 HD12 LEU 54 -1.394 -0.833 6.941 427 HD13 LEU 54 HD13 LEU 54 -2.871 -1.238 6.066 428 HD21 LEU 54 HD21 LEU 54 -0.112 -1.718 4.838 429 HD22 LEU 54 HD22 LEU 54 -0.531 -3.330 4.257 430 HD23 LEU 54 HD23 LEU 54 -1.709 -2.022 4.160 431 H ASN 55 HN ASN 55 -0.858 -2.091 9.162 432 HA ASN 55 HA ASN 55 0.766 -1.034 11.177 433 HB2 ASN 55 HB2 ASN 55 -1.659 -2.792 11.596 434 HB3 ASN 55 HB3 ASN 55 -1.041 -1.545 12.680 435 HD21 ASN 55 HD21 ASN 55 -2.514 -2.124 9.550 436 HD22 ASN 55 HD22 ASN 55 -3.205 -0.557 9.362 437 H GLY 56 HN GLY 56 2.682 -2.058 11.480 438 HA2 GLY 56 HA1 GLY 56 4.170 -3.585 12.302 439 HA3 GLY 56 HA2 GLY 56 2.827 -4.253 13.217 440 H LYS 57 HN LYS 57 2.079 -4.334 9.956 441 HA LYS 57 HA LYS 57 2.958 -7.146 9.763 442 HB2 LYS 57 HB2 LYS 57 0.640 -5.826 8.349 443 HB3 LYS 57 HB3 LYS 57 1.050 -7.529 8.294 444 HG2 LYS 57 HG2 LYS 57 -0.365 -5.963 10.360 445 HG3 LYS 57 HG3 LYS 57 -0.636 -7.610 9.793 446 HD2 LYS 57 HD2 LYS 57 1.470 -8.252 10.992 447 HD3 LYS 57 HD3 LYS 57 1.469 -6.640 11.686 448 HE2 LYS 57 HE2 LYS 57 0.468 -8.279 13.211 449 HE3 LYS 57 HE3 LYS 57 -0.690 -7.045 12.716 450 HZ1 LYS 57 HZ1 LYS 57 -1.681 -9.237 12.655 451 HZ2 LYS 57 HZ2 LYS 57 -0.488 -9.784 11.588 452 HZ3 LYS 57 HZ3 LYS 57 -1.587 -8.600 11.090 453 H ARG 58 HN ARG 58 3.714 -7.896 7.682 454 HA ARG 58 HA ARG 58 4.699 -5.705 6.011 455 HB2 ARG 58 HB2 ARG 58 6.540 -6.935 5.455 456 HB3 ARG 58 HB3 ARG 58 6.223 -7.542 7.064 457 HG2 ARG 58 HG2 ARG 58 5.766 -9.598 6.344 458 HG3 ARG 58 HG3 ARG 58 4.868 -8.995 4.954 459 HD2 ARG 58 HD2 ARG 58 7.065 -8.380 3.918 460 HD3 ARG 58 HD3 ARG 58 7.848 -9.251 5.236 461 HE ARG 58 HE ARG 58 6.029 -11.006 4.115 462 HH11 ARG 58 HH11 ARG 58 9.328 -10.441 1.917 463 HH12 ARG 58 HH12 ARG 58 8.865 -9.258 3.093 464 HH21 ARG 58 HH21 ARG 58 8.058 -12.324 1.619 465 HH22 ARG 58 HH22 ARG 58 6.630 -12.568 2.568 466 H LEU 59 HN LEU 59 4.480 -5.756 3.785 467 HA LEU 59 HA LEU 59 2.024 -7.053 2.945 468 HB2 LEU 59 HB2 LEU 59 3.735 -4.876 1.813 469 HB3 LEU 59 HB3 LEU 59 2.539 -5.660 0.811 470 HG LEU 59 HG LEU 59 1.838 -3.520 1.898 471 HD11 LEU 59 HD11 LEU 59 0.102 -4.836 1.040 472 HD12 LEU 59 HD12 LEU 59 0.296 -6.056 2.301 473 HD13 LEU 59 HD13 LEU 59 -0.380 -4.476 2.699 474 HD21 LEU 59 HD21 LEU 59 2.955 -4.160 4.095 475 HD22 LEU 59 HD22 LEU 59 1.365 -3.405 4.185 476 HD23 LEU 59 HD23 LEU 59 1.523 -5.149 4.387 477 H GLU 60 HN GLU 60 2.019 -8.954 2.089 478 HA GLU 60 HA GLU 60 4.402 -9.941 0.687 479 HB2 GLU 60 HB2 GLU 60 2.053 -11.453 1.837 480 HB3 GLU 60 HB3 GLU 60 3.470 -12.177 1.095 481 HG2 GLU 60 HG2 GLU 60 4.871 -11.213 2.856 482 HG3 GLU 60 HG3 GLU 60 3.435 -10.522 3.605 483 H ASP 61 HN ASP 61 4.122 -11.215 -1.246 484 HA ASP 61 HA ASP 61 2.388 -10.005 -3.125 485 HB2 ASP 61 HB2 ASP 61 4.003 -12.555 -3.332 486 HB3 ASP 61 HB3 ASP 61 3.229 -11.738 -4.685 487 H GLY 62 HN GLY 62 0.416 -10.567 -3.863 488 HA2 GLY 62 HA1 GLY 62 -1.421 -11.945 -4.297 489 HA3 GLY 62 HA2 GLY 62 -0.652 -13.225 -3.371 490 H LYS 63 HN LYS 63 -0.222 -11.045 -1.223 491 HA LYS 63 HA LYS 63 -2.515 -11.716 0.324 492 HB2 LYS 63 HB2 LYS 63 0.007 -10.213 0.698 493 HB3 LYS 63 HB3 LYS 63 -1.322 -9.756 1.742 494 HG2 LYS 63 HG2 LYS 63 0.183 -11.435 2.742 495 HG3 LYS 63 HG3 LYS 63 -1.484 -11.985 2.611 496 HD2 LYS 63 HD2 LYS 63 -0.882 -13.201 0.541 497 HD3 LYS 63 HD3 LYS 63 0.794 -12.701 0.767 498 HE2 LYS 63 HE2 LYS 63 0.875 -13.893 2.891 499 HE3 LYS 63 HE3 LYS 63 -0.816 -14.357 2.708 500 HZ1 LYS 63 HZ1 LYS 63 1.417 -15.169 0.927 501 HZ2 LYS 63 HZ2 LYS 63 -0.207 -15.586 0.704 502 HZ3 LYS 63 HZ3 LYS 63 0.634 -16.156 2.056 503 H MET 64 HN MET 64 -4.271 -10.470 0.871 504 HA MET 64 HA MET 64 -4.677 -8.054 -0.728 505 HB2 MET 64 HB2 MET 64 -6.964 -8.833 0.817 506 HB3 MET 64 HB3 MET 64 -6.783 -8.764 -0.921 507 HG2 MET 64 HG2 MET 64 -5.825 -11.016 -0.910 508 HG3 MET 64 HG3 MET 64 -6.028 -11.079 0.840 509 HE1 MET 64 HE1 MET 64 -7.748 -11.451 -2.646 510 HE2 MET 64 HE2 MET 64 -9.432 -11.095 -2.265 511 HE3 MET 64 HE3 MET 64 -8.215 -9.823 -2.158 512 H MET 65 HN MET 65 -5.485 -6.124 0.237 513 HA MET 65 HA MET 65 -4.288 -5.385 2.655 514 HB2 MET 65 HB2 MET 65 -6.841 -4.029 1.947 515 HB3 MET 65 HB3 MET 65 -5.316 -3.334 2.468 516 HG2 MET 65 HG2 MET 65 -4.565 -4.253 0.091 517 HG3 MET 65 HG3 MET 65 -6.283 -4.016 -0.224 518 HE1 MET 65 HE1 MET 65 -7.523 -1.593 0.201 519 HE2 MET 65 HE2 MET 65 -6.832 -1.553 1.822 520 HE3 MET 65 HE3 MET 65 -6.644 -0.167 0.749 521 H ALA 66 HN ALA 66 -7.507 -6.616 1.962 522 HA ALA 66 HA ALA 66 -8.684 -6.285 4.463 523 HB1 ALA 66 HB1 ALA 66 -10.304 -7.887 3.782 524 HB2 ALA 66 HB2 ALA 66 -9.816 -7.014 2.332 525 HB3 ALA 66 HB3 ALA 66 -9.185 -8.631 2.639 526 H ASP 67 HN ASP 67 -6.470 -8.718 3.258 527 HA ASP 67 HA ASP 67 -6.736 -10.598 5.324 528 HB2 ASP 67 HB2 ASP 67 -5.508 -11.020 3.214 529 HB3 ASP 67 HB3 ASP 67 -4.241 -9.919 3.747 530 H TYR 68 HN TYR 68 -5.240 -7.484 5.229 531 HA TYR 68 HA TYR 68 -3.765 -7.957 7.708 532 HB2 TYR 68 HB2 TYR 68 -3.895 -5.530 5.907 533 HB3 TYR 68 HB3 TYR 68 -2.835 -5.704 7.306 534 HD1 TYR 68 HD1 TYR 68 -3.461 -6.773 3.862 535 HD2 TYR 68 HD2 TYR 68 -0.903 -7.162 7.235 536 HE1 TYR 68 HE1 TYR 68 -1.787 -7.882 2.451 537 HE2 TYR 68 HE2 TYR 68 0.790 -8.264 5.836 538 HH TYR 68 HH TYR 68 0.887 -9.532 3.727 539 H GLY 69 HN GLY 69 -6.846 -7.367 7.045 540 HA2 GLY 69 HA1 GLY 69 -8.597 -6.374 8.152 541 HA3 GLY 69 HA2 GLY 69 -7.569 -6.477 9.576 542 H ILE 70 HN ILE 70 -7.067 -4.612 6.600 543 HA ILE 70 HA ILE 70 -6.337 -2.291 8.065 544 HB ILE 70 HB ILE 70 -6.045 -1.200 5.974 545 HG12 ILE 70 HG12 ILE 70 -7.904 -1.552 4.618 546 HG13 ILE 70 HG13 ILE 70 -6.681 -2.545 3.838 547 HG21 ILE 70 HG21 ILE 70 -4.583 -2.737 4.819 548 HG22 ILE 70 HG22 ILE 70 -4.423 -2.925 6.565 549 HG23 ILE 70 HG23 ILE 70 -5.346 -4.105 5.632 550 HD11 ILE 70 HD11 ILE 70 -7.624 -4.530 4.649 551 HD12 ILE 70 HD12 ILE 70 -8.682 -3.663 5.763 552 HD13 ILE 70 HD13 ILE 70 -8.951 -3.556 4.026 553 H ARG 71 HN ARG 71 -7.433 -0.135 6.992 554 HA ARG 71 HA ARG 71 -10.336 -0.372 7.254 555 HB2 ARG 71 HB2 ARG 71 -8.618 1.480 8.910 556 HB3 ARG 71 HB3 ARG 71 -10.360 1.575 8.791 557 HG2 ARG 71 HG2 ARG 71 -10.557 0.162 10.445 558 HG3 ARG 71 HG3 ARG 71 -9.761 -1.050 9.453 559 HD2 ARG 71 HD2 ARG 71 -7.590 -0.340 10.256 560 HD3 ARG 71 HD3 ARG 71 -8.342 0.965 11.172 561 HE ARG 71 HE ARG 71 -9.383 -1.581 11.913 562 HH11 ARG 71 HH11 ARG 71 -6.243 -0.089 13.902 563 HH12 ARG 71 HH12 ARG 71 -6.669 0.561 12.355 564 HH21 ARG 71 HH21 ARG 71 -7.472 -1.796 14.808 565 HH22 ARG 71 HH22 ARG 71 -8.831 -2.441 13.949 566 H LYS 72 HN LYS 72 -11.329 1.910 6.964 567 HA LYS 72 HA LYS 72 -10.746 2.773 4.353 568 HB2 LYS 72 HB2 LYS 72 -12.077 4.772 6.042 569 HB3 LYS 72 HB3 LYS 72 -12.618 4.026 4.549 570 HG2 LYS 72 HG2 LYS 72 -12.749 2.711 7.254 571 HG3 LYS 72 HG3 LYS 72 -14.085 3.573 6.489 572 HD2 LYS 72 HD2 LYS 72 -14.003 2.010 4.607 573 HD3 LYS 72 HD3 LYS 72 -12.681 1.140 5.387 574 HE2 LYS 72 HE2 LYS 72 -14.174 0.683 7.308 575 HE3 LYS 72 HE3 LYS 72 -15.492 1.464 6.435 576 HZ1 LYS 72 HZ1 LYS 72 -14.023 -0.970 5.571 577 HZ2 LYS 72 HZ2 LYS 72 -15.247 -0.208 4.686 578 HZ3 LYS 72 HZ3 LYS 72 -15.601 -0.920 6.180 579 H GLY 73 HN GLY 73 -8.946 3.810 3.741 580 HA2 GLY 73 HA1 GLY 73 -7.309 5.439 3.693 581 HA3 GLY 73 HA2 GLY 73 -8.151 6.249 5.009 582 H ASN 74 HN ASN 74 -6.698 3.013 4.763 583 HA ASN 74 HA ASN 74 -5.567 3.267 7.375 584 HB2 ASN 74 HB2 ASN 74 -6.385 1.117 6.018 585 HB3 ASN 74 HB3 ASN 74 -4.688 1.084 5.551 586 HD21 ASN 74 HD21 ASN 74 -5.562 2.415 8.613 587 HD22 ASN 74 HD22 ASN 74 -4.995 1.104 9.580 588 H LEU 75 HN LEU 75 -3.383 3.175 7.917 589 HA LEU 75 HA LEU 75 -1.713 4.781 6.233 590 HB2 LEU 75 HB2 LEU 75 -1.384 3.539 8.941 591 HB3 LEU 75 HB3 LEU 75 -0.038 4.311 8.138 592 HG LEU 75 HG LEU 75 -2.611 5.610 9.021 593 HD11 LEU 75 HD11 LEU 75 0.253 6.050 9.843 594 HD12 LEU 75 HD12 LEU 75 -1.155 6.912 10.464 595 HD13 LEU 75 HD13 LEU 75 -0.966 5.187 10.782 596 HD21 LEU 75 HD21 LEU 75 -0.315 6.781 7.452 597 HD22 LEU 75 HD22 LEU 75 -1.975 6.575 6.896 598 HD23 LEU 75 HD23 LEU 75 -1.615 7.713 8.194 599 H LEU 76 HN LEU 76 -0.171 4.168 4.889 600 HA LEU 76 HA LEU 76 0.796 1.385 4.985 601 HB2 LEU 76 HB2 LEU 76 0.546 2.958 2.436 602 HB3 LEU 76 HB3 LEU 76 0.783 1.234 2.630 603 HG LEU 76 HG LEU 76 -1.759 2.731 3.271 604 HD11 LEU 76 HD11 LEU 76 -1.398 2.673 0.900 605 HD12 LEU 76 HD12 LEU 76 -0.988 0.959 0.959 606 HD13 LEU 76 HD13 LEU 76 -2.633 1.486 1.310 607 HD21 LEU 76 HD21 LEU 76 -2.748 0.539 3.575 608 HD22 LEU 76 HD22 LEU 76 -1.199 -0.233 3.237 609 HD23 LEU 76 HD23 LEU 76 -1.397 0.750 4.687 610 H PHE 77 HN PHE 77 2.965 1.190 5.075 611 HA PHE 77 HA PHE 77 4.548 3.628 4.599 612 HB2 PHE 77 HB2 PHE 77 5.175 1.163 6.246 613 HB3 PHE 77 HB3 PHE 77 6.303 2.488 5.977 614 HD1 PHE 77 HD1 PHE 77 6.250 4.398 7.320 615 HD2 PHE 77 HD2 PHE 77 2.993 1.661 7.424 616 HE1 PHE 77 HE1 PHE 77 5.312 5.593 9.256 617 HE2 PHE 77 HE2 PHE 77 2.049 2.850 9.360 618 HZ PHE 77 HZ PHE 77 3.208 4.819 10.279 619 H LEU 78 HN LEU 78 5.502 3.696 2.680 620 HA LEU 78 HA LEU 78 6.022 1.271 1.185 621 HB2 LEU 78 HB2 LEU 78 5.069 3.247 0.084 622 HB3 LEU 78 HB3 LEU 78 6.516 4.160 0.469 623 HG LEU 78 HG LEU 78 7.827 2.571 -0.947 624 HD11 LEU 78 HD11 LEU 78 5.093 1.568 -1.729 625 HD12 LEU 78 HD12 LEU 78 6.614 1.144 -2.516 626 HD13 LEU 78 HD13 LEU 78 6.321 0.661 -0.845 627 HD21 LEU 78 HD21 LEU 78 7.067 3.502 -3.073 628 HD22 LEU 78 HD22 LEU 78 5.560 4.014 -2.313 629 HD23 LEU 78 HD23 LEU 78 7.090 4.729 -1.807 630 H ALA 79 HN ALA 79 7.970 0.470 0.586 631 HA ALA 79 HA ALA 79 10.434 1.821 1.316 632 HB1 ALA 79 HB1 ALA 79 9.829 -0.916 2.429 633 HB2 ALA 79 HB2 ALA 79 11.294 0.031 2.679 634 HB3 ALA 79 HB3 ALA 79 9.763 0.579 3.361 635 H SER 80 HN SER 80 12.361 0.351 0.643 636 HA SER 80 HA SER 80 11.692 -1.439 -1.554 637 HB2 SER 80 HB2 SER 80 13.369 -0.233 -3.038 638 HB3 SER 80 HB3 SER 80 11.834 0.594 -2.781 639 HG SER 80 HG SER 80 13.615 1.271 -0.872 640 H TYR 81 HN TYR 81 13.267 -2.939 -2.046 641 HA TYR 81 HA TYR 81 14.985 -3.766 -0.039 642 HB2 TYR 81 HB2 TYR 81 14.540 -4.457 -2.838 643 HB3 TYR 81 HB3 TYR 81 16.175 -4.789 -2.288 644 HD1 TYR 81 HD1 TYR 81 13.135 -6.275 -2.783 645 HD2 TYR 81 HD2 TYR 81 16.088 -5.875 0.254 646 HE1 TYR 81 HE1 TYR 81 12.341 -8.357 -1.745 647 HE2 TYR 81 HE2 TYR 81 15.303 -7.958 1.300 648 HH TYR 81 HH TYR 81 13.184 -10.112 -0.254 649 H SER 82 HN SER 82 17.316 -3.820 0.077 650 HA SER 82 HA SER 82 18.492 -1.303 -0.829 651 HB2 SER 82 HB2 SER 82 18.682 -1.815 1.557 652 HB3 SER 82 HB3 SER 82 19.500 -3.330 1.180 653 HG SER 82 HG SER 82 20.863 -1.451 1.729 654 H ILE 83 HN ILE 83 20.436 -1.183 -1.949 655 HA ILE 83 HA ILE 83 21.991 -1.756 -3.501 656 HB ILE 83 HB ILE 83 21.844 -4.505 -2.257 657 HG12 ILE 83 HG12 ILE 83 22.376 -2.776 -0.598 658 HG13 ILE 83 HG13 ILE 83 23.777 -3.792 -0.919 659 HG21 ILE 83 HG21 ILE 83 24.117 -4.775 -3.164 660 HG22 ILE 83 HG22 ILE 83 22.908 -4.555 -4.429 661 HG23 ILE 83 HG23 ILE 83 23.961 -3.216 -3.973 662 HD11 ILE 83 HD11 ILE 83 23.304 -1.050 -2.069 663 HD12 ILE 83 HD12 ILE 83 24.378 -1.438 -0.724 664 HD13 ILE 83 HD13 ILE 83 24.723 -2.062 -2.337 665 H GLY 84 HN GLY 84 20.561 -4.992 -3.419 666 HA2 GLY 84 HA1 GLY 84 18.679 -5.452 -5.008 667 HA3 GLY 84 HA2 GLY 84 19.605 -4.523 -6.177 668 H GLY 85 HN GLY 85 20.762 -5.670 -7.571 669 HA2 GLY 85 HA1 GLY 85 22.111 -8.098 -6.705 670 HA3 GLY 85 HA2 GLY 85 20.868 -8.313 -7.928 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -28.350 2.291 -2.656 2 H2 GLY 1 H2 GLY 1 -26.756 2.799 -2.909 3 H3 GLY 1 H3 GLY 1 -28.036 3.651 -3.614 4 HA2 GLY 1 HA2 GLY 1 -27.186 4.854 -1.710 5 HA3 GLY 1 HA1 GLY 1 -28.840 4.324 -1.444 6 H ALA 2 HN ALA 2 -25.503 3.171 -0.966 7 HA ALA 2 HA ALA 2 -26.195 2.464 1.782 8 HB1 ALA 2 HB1 ALA 2 -26.580 0.425 0.478 9 HB2 ALA 2 HB2 ALA 2 -24.923 0.499 -0.119 10 HB3 ALA 2 HB3 ALA 2 -25.230 0.239 1.596 11 H MET 3 HN MET 3 -23.483 1.978 -0.485 12 HA MET 3 HA MET 3 -21.272 2.482 -0.353 13 HB2 MET 3 HB2 MET 3 -22.232 4.742 1.413 14 HB3 MET 3 HB3 MET 3 -20.659 4.641 0.632 15 HG2 MET 3 HG2 MET 3 -21.754 4.698 -1.559 16 HG3 MET 3 HG3 MET 3 -23.320 4.829 -0.761 17 HE1 MET 3 HE1 MET 3 -19.905 6.591 -1.536 18 HE2 MET 3 HE2 MET 3 -20.036 8.066 -0.577 19 HE3 MET 3 HE3 MET 3 -19.893 6.501 0.225 20 H GLY 4 HN GLY 4 -20.437 0.739 0.710 21 HA2 GLY 4 HA1 GLY 4 -19.263 1.144 3.240 22 HA3 GLY 4 HA2 GLY 4 -20.708 0.164 3.437 23 H ASP 5 HN ASP 5 -19.409 -0.366 0.411 24 HA ASP 5 HA ASP 5 -17.579 -2.465 1.290 25 HB2 ASP 5 HB2 ASP 5 -18.677 -4.150 -0.121 26 HB3 ASP 5 HB3 ASP 5 -19.766 -3.566 1.132 27 H GLU 6 HN GLU 6 -18.023 0.141 -0.520 28 HA GLU 6 HA GLU 6 -16.907 -0.757 -3.025 29 HB2 GLU 6 HB2 GLU 6 -17.412 2.028 -1.963 30 HB3 GLU 6 HB3 GLU 6 -16.905 1.652 -3.604 31 HG2 GLU 6 HG2 GLU 6 -18.973 0.399 -3.955 32 HG3 GLU 6 HG3 GLU 6 -19.481 0.784 -2.311 33 H GLU 7 HN GLU 7 -15.112 1.185 -3.695 34 HA GLU 7 HA GLU 7 -12.713 0.223 -2.622 35 HB2 GLU 7 HB2 GLU 7 -13.107 2.886 -3.991 36 HB3 GLU 7 HB3 GLU 7 -11.620 1.955 -3.894 37 HG2 GLU 7 HG2 GLU 7 -12.614 0.208 -5.272 38 HG3 GLU 7 HG3 GLU 7 -14.118 1.123 -5.354 39 H LEU 8 HN LEU 8 -11.255 1.048 -1.136 40 HA LEU 8 HA LEU 8 -12.311 3.184 0.603 41 HB2 LEU 8 HB2 LEU 8 -10.562 0.825 1.295 42 HB3 LEU 8 HB3 LEU 8 -10.887 2.149 2.392 43 HG LEU 8 HG LEU 8 -12.768 0.019 1.423 44 HD11 LEU 8 HD11 LEU 8 -13.161 -0.257 3.816 45 HD12 LEU 8 HD12 LEU 8 -11.448 -0.420 3.426 46 HD13 LEU 8 HD13 LEU 8 -12.049 1.071 4.158 47 HD21 LEU 8 HD21 LEU 8 -14.075 1.966 1.112 48 HD22 LEU 8 HD22 LEU 8 -14.541 1.308 2.680 49 HD23 LEU 8 HD23 LEU 8 -13.463 2.701 2.593 50 HA PRO 9 HA PRO 9 -8.669 5.515 -0.300 51 HB2 PRO 9 HB2 PRO 9 -8.690 6.713 2.351 52 HB3 PRO 9 HB3 PRO 9 -9.115 7.444 0.803 53 HG2 PRO 9 HG2 PRO 9 -10.943 6.922 2.745 54 HG3 PRO 9 HG3 PRO 9 -11.338 6.917 1.017 55 HD2 PRO 9 HD2 PRO 9 -10.797 4.607 2.846 56 HD3 PRO 9 HD3 PRO 9 -12.032 4.775 1.578 57 H LEU 10 HN LEU 10 -6.472 6.038 0.542 58 HA LEU 10 HA LEU 10 -5.470 4.410 2.718 59 HB2 LEU 10 HB2 LEU 10 -4.704 3.956 -0.153 60 HB3 LEU 10 HB3 LEU 10 -3.635 3.529 1.167 61 HG LEU 10 HG LEU 10 -6.433 2.460 0.924 62 HD11 LEU 10 HD11 LEU 10 -3.867 1.153 0.041 63 HD12 LEU 10 HD12 LEU 10 -5.477 0.436 0.001 64 HD13 LEU 10 HD13 LEU 10 -5.099 1.812 -1.036 65 HD21 LEU 10 HD21 LEU 10 -4.053 1.522 2.515 66 HD22 LEU 10 HD22 LEU 10 -5.437 2.401 3.161 67 HD23 LEU 10 HD23 LEU 10 -5.654 0.783 2.496 68 H PHE 11 HN PHE 11 -3.127 4.783 3.058 69 HA PHE 11 HA PHE 11 -2.326 7.481 2.185 70 HB2 PHE 11 HB2 PHE 11 -2.352 6.303 4.950 71 HB3 PHE 11 HB3 PHE 11 -1.294 7.651 4.542 72 HD1 PHE 11 HD1 PHE 11 -4.382 6.791 5.883 73 HD2 PHE 11 HD2 PHE 11 -2.560 9.626 3.292 74 HE1 PHE 11 HE1 PHE 11 -6.232 8.356 6.304 75 HE2 PHE 11 HE2 PHE 11 -4.398 11.201 3.705 76 HZ PHE 11 HZ PHE 11 -6.252 10.546 5.260 77 H LEU 12 HN LEU 12 -0.369 7.531 1.282 78 HA LEU 12 HA LEU 12 1.425 5.251 1.766 79 HB2 LEU 12 HB2 LEU 12 0.919 7.009 -0.562 80 HB3 LEU 12 HB3 LEU 12 2.572 6.477 -0.324 81 HG LEU 12 HG LEU 12 1.304 5.033 -1.878 82 HD11 LEU 12 HD11 LEU 12 1.913 2.890 -0.815 83 HD12 LEU 12 HD12 LEU 12 3.190 4.101 -0.701 84 HD13 LEU 12 HD13 LEU 12 2.182 3.748 0.702 85 HD21 LEU 12 HD21 LEU 12 -0.436 3.566 -1.024 86 HD22 LEU 12 HD22 LEU 12 -0.322 4.330 0.562 87 HD23 LEU 12 HD23 LEU 12 -0.898 5.256 -0.824 88 H VAL 13 HN VAL 13 3.022 5.561 3.128 89 HA VAL 13 HA VAL 13 4.136 8.271 3.428 90 HB VAL 13 HB VAL 13 4.402 6.067 5.460 91 HG11 VAL 13 HG11 VAL 13 5.945 7.923 5.668 92 HG12 VAL 13 HG12 VAL 13 4.604 9.068 5.634 93 HG13 VAL 13 HG13 VAL 13 4.776 7.950 6.988 94 HG21 VAL 13 HG21 VAL 13 2.516 7.119 6.675 95 HG22 VAL 13 HG22 VAL 13 2.200 8.116 5.254 96 HG23 VAL 13 HG23 VAL 13 2.031 6.364 5.156 97 H GLU 14 HN GLU 14 6.083 8.514 2.542 98 HA GLU 14 HA GLU 14 7.676 6.287 1.729 99 HB2 GLU 14 HB2 GLU 14 7.777 9.225 1.468 100 HB3 GLU 14 HB3 GLU 14 9.334 8.416 1.446 101 HG2 GLU 14 HG2 GLU 14 7.037 7.633 -0.322 102 HG3 GLU 14 HG3 GLU 14 8.268 8.803 -0.787 103 H SER 15 HN SER 15 9.188 5.245 2.834 104 HA SER 15 HA SER 15 9.700 5.698 5.542 105 HB2 SER 15 HB2 SER 15 11.508 4.037 5.293 106 HB3 SER 15 HB3 SER 15 10.026 3.512 4.496 107 HG SER 15 HG SER 15 11.557 3.167 3.001 108 H GLY 16 HN GLY 16 11.697 6.473 2.704 109 HA2 GLY 16 HA1 GLY 16 13.857 7.549 4.140 110 HA3 GLY 16 HA2 GLY 16 13.472 7.913 2.464 111 H ASP 17 HN ASP 17 10.899 9.042 2.937 112 HA ASP 17 HA ASP 17 11.419 11.332 4.677 113 HB2 ASP 17 HB2 ASP 17 10.722 11.556 1.741 114 HB3 ASP 17 HB3 ASP 17 10.702 12.901 2.878 115 H GLU 18 HN GLU 18 9.757 11.131 6.046 116 HA GLU 18 HA GLU 18 7.249 10.028 5.410 117 HB2 GLU 18 HB2 GLU 18 6.517 10.916 7.582 118 HB3 GLU 18 HB3 GLU 18 8.069 10.095 7.697 119 HG2 GLU 18 HG2 GLU 18 9.240 12.158 7.817 120 HG3 GLU 18 HG3 GLU 18 7.783 13.066 7.420 121 H ALA 19 HN ALA 19 8.569 13.078 4.745 122 HA ALA 19 HA ALA 19 6.262 14.698 4.833 123 HB1 ALA 19 HB1 ALA 19 8.496 15.650 4.716 124 HB2 ALA 19 HB2 ALA 19 8.720 14.966 3.106 125 HB3 ALA 19 HB3 ALA 19 7.511 16.222 3.370 126 H LYS 20 HN LYS 20 7.442 12.393 2.503 127 HA LYS 20 HA LYS 20 5.778 13.264 0.353 128 HB2 LYS 20 HB2 LYS 20 6.910 10.495 0.593 129 HB3 LYS 20 HB3 LYS 20 6.634 11.448 -0.856 130 HG2 LYS 20 HG2 LYS 20 8.763 11.937 1.216 131 HG3 LYS 20 HG3 LYS 20 9.001 11.261 -0.396 132 HD2 LYS 20 HD2 LYS 20 8.104 13.388 -1.341 133 HD3 LYS 20 HD3 LYS 20 8.079 14.047 0.295 134 HE2 LYS 20 HE2 LYS 20 10.496 13.676 0.471 135 HE3 LYS 20 HE3 LYS 20 10.514 13.037 -1.171 136 HZ1 LYS 20 HZ1 LYS 20 9.746 15.799 -0.395 137 HZ2 LYS 20 HZ2 LYS 20 9.752 15.189 -1.972 138 HZ3 LYS 20 HZ3 LYS 20 11.206 15.346 -1.121 139 H ARG 21 HN ARG 21 3.620 13.225 0.698 140 HA ARG 21 HA ARG 21 2.460 10.721 1.722 141 HB2 ARG 21 HB2 ARG 21 1.833 13.567 2.262 142 HB3 ARG 21 HB3 ARG 21 0.468 12.470 2.130 143 HG2 ARG 21 HG2 ARG 21 2.816 12.041 3.953 144 HG3 ARG 21 HG3 ARG 21 1.290 12.780 4.447 145 HD2 ARG 21 HD2 ARG 21 0.097 10.745 3.865 146 HD3 ARG 21 HD3 ARG 21 1.594 10.014 3.283 147 HE ARG 21 HE ARG 21 2.376 10.233 5.660 148 HH11 ARG 21 HH11 ARG 21 -1.450 9.312 6.404 149 HH12 ARG 21 HH12 ARG 21 -1.011 9.999 4.875 150 HH21 ARG 21 HH21 ARG 21 0.154 8.930 7.993 151 HH22 ARG 21 HH22 ARG 21 1.809 9.324 7.671 152 H HIS 22 HN HIS 22 1.043 9.665 0.520 153 HA HIS 22 HA HIS 22 -0.240 11.027 -1.739 154 HB2 HIS 22 HB2 HIS 22 0.688 8.308 -2.376 155 HB3 HIS 22 HB3 HIS 22 0.738 9.773 -3.353 156 HD2 HIS 22 HD2 HIS 22 3.150 7.455 -1.803 157 HE1 HIS 22 HE1 HIS 22 5.018 11.238 -1.594 158 H LEU 23 HN LEU 23 -2.347 10.730 -1.510 159 HA LEU 23 HA LEU 23 -3.353 8.392 -0.082 160 HB2 LEU 23 HB2 LEU 23 -4.096 10.773 0.398 161 HB3 LEU 23 HB3 LEU 23 -4.919 10.736 -1.144 162 HG LEU 23 HG LEU 23 -5.515 8.818 1.107 163 HD11 LEU 23 HD11 LEU 23 -5.988 11.108 1.800 164 HD12 LEU 23 HD12 LEU 23 -6.957 11.348 0.345 165 HD13 LEU 23 HD13 LEU 23 -7.472 10.184 1.565 166 HD21 LEU 23 HD21 LEU 23 -6.261 7.890 -0.935 167 HD22 LEU 23 HD22 LEU 23 -7.682 8.611 -0.182 168 HD23 LEU 23 HD23 LEU 23 -6.867 9.445 -1.506 169 H LEU 24 HN LEU 24 -4.372 6.731 -1.052 170 HA LEU 24 HA LEU 24 -5.211 7.059 -3.850 171 HB2 LEU 24 HB2 LEU 24 -3.872 4.594 -2.769 172 HB3 LEU 24 HB3 LEU 24 -4.327 4.906 -4.427 173 HG LEU 24 HG LEU 24 -2.222 6.461 -2.926 174 HD11 LEU 24 HD11 LEU 24 -1.936 4.224 -4.926 175 HD12 LEU 24 HD12 LEU 24 -0.617 5.220 -4.310 176 HD13 LEU 24 HD13 LEU 24 -1.510 4.163 -3.216 177 HD21 LEU 24 HD21 LEU 24 -2.967 6.379 -5.846 178 HD22 LEU 24 HD22 LEU 24 -3.297 7.703 -4.730 179 HD23 LEU 24 HD23 LEU 24 -1.633 7.295 -5.143 180 H GLN 25 HN GLN 25 -7.120 6.205 -4.362 181 HA GLN 25 HA GLN 25 -8.659 4.916 -2.234 182 HB2 GLN 25 HB2 GLN 25 -10.509 5.311 -4.106 183 HB3 GLN 25 HB3 GLN 25 -10.035 6.569 -2.972 184 HG2 GLN 25 HG2 GLN 25 -10.102 7.552 -5.127 185 HG3 GLN 25 HG3 GLN 25 -8.408 7.376 -4.668 186 HE21 GLN 25 HE21 GLN 25 -7.147 5.777 -5.671 187 HE22 GLN 25 HE22 GLN 25 -7.601 5.093 -7.191 188 H VAL 26 HN VAL 26 -8.150 2.832 -2.278 189 HA VAL 26 HA VAL 26 -8.900 1.314 -4.671 190 HB VAL 26 HB VAL 26 -6.365 0.833 -3.101 191 HG11 VAL 26 HG11 VAL 26 -7.353 -1.251 -3.871 192 HG12 VAL 26 HG12 VAL 26 -7.486 -0.602 -5.505 193 HG13 VAL 26 HG13 VAL 26 -5.897 -0.883 -4.795 194 HG21 VAL 26 HG21 VAL 26 -6.215 2.785 -4.562 195 HG22 VAL 26 HG22 VAL 26 -5.202 1.465 -5.145 196 HG23 VAL 26 HG23 VAL 26 -6.745 1.804 -5.928 197 H ARG 27 HN ARG 27 -9.585 -0.840 -4.278 198 HA ARG 27 HA ARG 27 -11.042 -1.189 -1.883 199 HB2 ARG 27 HB2 ARG 27 -10.305 -3.403 -3.786 200 HB3 ARG 27 HB3 ARG 27 -11.721 -3.291 -2.753 201 HG2 ARG 27 HG2 ARG 27 -12.580 -1.477 -4.105 202 HG3 ARG 27 HG3 ARG 27 -11.116 -1.525 -5.092 203 HD2 ARG 27 HD2 ARG 27 -12.831 -2.708 -6.258 204 HD3 ARG 27 HD3 ARG 27 -11.658 -3.880 -5.673 205 HE ARG 27 HE ARG 27 -13.876 -3.484 -3.890 206 HH11 ARG 27 HH11 ARG 27 -13.812 -6.558 -6.456 207 HH12 ARG 27 HH12 ARG 27 -12.728 -5.228 -6.680 208 HH21 ARG 27 HH21 ARG 27 -15.282 -6.560 -4.699 209 HH22 ARG 27 HH22 ARG 27 -15.307 -5.232 -3.586 210 H ARG 28 HN ARG 28 -10.856 -2.876 -0.342 211 HA ARG 28 HA ARG 28 -8.178 -3.227 0.584 212 HB2 ARG 28 HB2 ARG 28 -9.269 -4.585 2.394 213 HB3 ARG 28 HB3 ARG 28 -9.816 -2.918 2.271 214 HG2 ARG 28 HG2 ARG 28 -11.531 -4.383 0.627 215 HG3 ARG 28 HG3 ARG 28 -11.325 -5.348 2.096 216 HD2 ARG 28 HD2 ARG 28 -11.562 -2.555 2.684 217 HD3 ARG 28 HD3 ARG 28 -12.961 -3.120 1.767 218 HE ARG 28 HE ARG 28 -12.206 -4.776 4.019 219 HH11 ARG 28 HH11 ARG 28 -15.328 -2.274 4.176 220 HH12 ARG 28 HH12 ARG 28 -14.174 -2.130 2.892 221 HH21 ARG 28 HH21 ARG 28 -15.074 -3.892 5.775 222 HH22 ARG 28 HH22 ARG 28 -13.723 -4.975 5.709 223 H SER 29 HN SER 29 -10.642 -5.148 -0.947 224 HA SER 29 HA SER 29 -9.342 -7.654 -0.696 225 HB2 SER 29 HB2 SER 29 -11.740 -7.445 -1.256 226 HB3 SER 29 HB3 SER 29 -11.304 -6.680 -2.783 227 HG SER 29 HG SER 29 -11.677 -8.852 -3.158 228 H SER 30 HN SER 30 -8.478 -4.859 -2.247 229 HA SER 30 HA SER 30 -7.425 -5.939 -4.684 230 HB2 SER 30 HB2 SER 30 -6.541 -3.488 -3.152 231 HB3 SER 30 HB3 SER 30 -6.137 -3.863 -4.825 232 HG SER 30 HG SER 30 -8.162 -3.424 -5.439 233 H SER 31 HN SER 31 -5.703 -7.224 -4.925 234 HA SER 31 HA SER 31 -4.147 -7.990 -2.684 235 HB2 SER 31 HB2 SER 31 -2.867 -9.342 -4.247 236 HB3 SER 31 HB3 SER 31 -4.587 -9.498 -4.594 237 HG SER 31 HG SER 31 -4.041 -8.940 -6.540 238 H VAL 32 HN VAL 32 -2.085 -7.519 -2.145 239 HA VAL 32 HA VAL 32 -1.084 -5.008 -2.328 240 HB VAL 32 HB VAL 32 0.918 -5.803 -1.416 241 HG11 VAL 32 HG11 VAL 32 -1.088 -7.916 -0.689 242 HG12 VAL 32 HG12 VAL 32 0.253 -7.335 0.297 243 HG13 VAL 32 HG13 VAL 32 -1.105 -6.269 -0.063 244 HG21 VAL 32 HG21 VAL 32 1.620 -7.326 -3.152 245 HG22 VAL 32 HG22 VAL 32 1.683 -8.148 -1.593 246 HG23 VAL 32 HG23 VAL 32 0.352 -8.467 -2.704 247 H ALA 33 HN ALA 33 -0.694 -7.614 -4.643 248 HA ALA 33 HA ALA 33 1.465 -6.536 -6.107 249 HB1 ALA 33 HB1 ALA 33 0.788 -8.878 -6.264 250 HB2 ALA 33 HB2 ALA 33 -0.714 -8.393 -7.051 251 HB3 ALA 33 HB3 ALA 33 0.832 -8.111 -7.851 252 H GLN 34 HN GLN 34 -2.047 -6.177 -6.473 253 HA GLN 34 HA GLN 34 -1.793 -4.621 -8.888 254 HB2 GLN 34 HB2 GLN 34 -4.217 -4.983 -7.122 255 HB3 GLN 34 HB3 GLN 34 -4.202 -4.411 -8.783 256 HG2 GLN 34 HG2 GLN 34 -3.528 -7.175 -7.811 257 HG3 GLN 34 HG3 GLN 34 -4.945 -6.685 -8.738 258 HE21 GLN 34 HE21 GLN 34 -1.536 -7.336 -8.834 259 HE22 GLN 34 HE22 GLN 34 -1.387 -7.391 -10.554 260 H VAL 35 HN VAL 35 -2.436 -4.086 -5.496 261 HA VAL 35 HA VAL 35 -3.064 -1.359 -5.573 262 HB VAL 35 HB VAL 35 -1.774 -3.019 -3.400 263 HG11 VAL 35 HG11 VAL 35 -3.054 -0.307 -3.219 264 HG12 VAL 35 HG12 VAL 35 -2.506 -1.286 -1.858 265 HG13 VAL 35 HG13 VAL 35 -1.338 -0.669 -3.026 266 HG21 VAL 35 HG21 VAL 35 -3.962 -3.833 -4.033 267 HG22 VAL 35 HG22 VAL 35 -4.047 -3.061 -2.449 268 HG23 VAL 35 HG23 VAL 35 -4.639 -2.212 -3.876 269 H LYS 36 HN LYS 36 -0.001 -3.018 -4.932 270 HA LYS 36 HA LYS 36 1.584 -0.702 -4.815 271 HB2 LYS 36 HB2 LYS 36 2.094 -3.629 -5.066 272 HB3 LYS 36 HB3 LYS 36 3.414 -2.496 -5.220 273 HG2 LYS 36 HG2 LYS 36 2.889 -3.537 -2.921 274 HG3 LYS 36 HG3 LYS 36 3.252 -1.827 -3.041 275 HD2 LYS 36 HD2 LYS 36 1.105 -1.177 -2.633 276 HD3 LYS 36 HD3 LYS 36 0.427 -2.690 -3.225 277 HE2 LYS 36 HE2 LYS 36 1.312 -3.823 -1.215 278 HE3 LYS 36 HE3 LYS 36 1.891 -2.265 -0.626 279 HZ1 LYS 36 HZ1 LYS 36 -0.372 -1.465 -0.563 280 HZ2 LYS 36 HZ2 LYS 36 -0.240 -2.879 0.355 281 HZ3 LYS 36 HZ3 LYS 36 -0.948 -2.931 -1.181 282 H ALA 37 HN ALA 37 0.446 -2.708 -7.431 283 HA ALA 37 HA ALA 37 2.278 -2.015 -9.426 284 HB1 ALA 37 HB1 ALA 37 0.479 -2.460 -11.032 285 HB2 ALA 37 HB2 ALA 37 0.507 -3.691 -9.768 286 HB3 ALA 37 HB3 ALA 37 -0.707 -2.413 -9.729 287 H MET 38 HN MET 38 -0.560 -0.406 -8.144 288 HA MET 38 HA MET 38 -0.466 1.875 -9.822 289 HB2 MET 38 HB2 MET 38 -1.557 1.797 -7.007 290 HB3 MET 38 HB3 MET 38 -2.065 2.838 -8.330 291 HG2 MET 38 HG2 MET 38 -2.892 0.827 -9.520 292 HG3 MET 38 HG3 MET 38 -2.502 -0.126 -8.090 293 HE1 MET 38 HE1 MET 38 -4.959 -1.039 -7.930 294 HE2 MET 38 HE2 MET 38 -6.396 -0.016 -7.919 295 HE3 MET 38 HE3 MET 38 -5.407 -0.130 -9.373 296 H ILE 39 HN ILE 39 0.852 1.047 -6.652 297 HA ILE 39 HA ILE 39 1.918 3.490 -5.899 298 HB ILE 39 HB ILE 39 3.027 0.719 -5.444 299 HG12 ILE 39 HG12 ILE 39 0.837 0.995 -4.467 300 HG13 ILE 39 HG13 ILE 39 2.040 1.025 -3.181 301 HG21 ILE 39 HG21 ILE 39 4.845 2.204 -5.113 302 HG22 ILE 39 HG22 ILE 39 3.836 3.337 -4.212 303 HG23 ILE 39 HG23 ILE 39 4.225 1.762 -3.521 304 HD11 ILE 39 HD11 ILE 39 0.683 3.425 -4.383 305 HD12 ILE 39 HD12 ILE 39 0.326 2.696 -2.817 306 HD13 ILE 39 HD13 ILE 39 1.891 3.457 -3.098 307 H GLU 40 HN GLU 40 3.084 1.191 -8.282 308 HA GLU 40 HA GLU 40 5.641 2.459 -8.635 309 HB2 GLU 40 HB2 GLU 40 5.437 0.120 -9.192 310 HB3 GLU 40 HB3 GLU 40 4.104 0.447 -10.292 311 HG2 GLU 40 HG2 GLU 40 5.647 1.720 -11.731 312 HG3 GLU 40 HG3 GLU 40 6.971 1.289 -10.651 313 H THR 41 HN THR 41 2.470 2.595 -10.122 314 HA THR 41 HA THR 41 3.104 4.138 -12.366 315 HB THR 41 HB THR 41 0.496 4.697 -11.103 316 HG1 THR 41 HG1 THR 41 0.960 2.082 -12.087 317 HG21 THR 41 HG21 THR 41 0.989 5.276 -13.425 318 HG22 THR 41 HG22 THR 41 -0.300 4.075 -13.338 319 HG23 THR 41 HG23 THR 41 1.335 3.583 -13.776 320 H LYS 42 HN LYS 42 2.888 5.003 -9.021 321 HA LYS 42 HA LYS 42 2.902 7.852 -9.709 322 HB2 LYS 42 HB2 LYS 42 2.231 6.372 -7.186 323 HB3 LYS 42 HB3 LYS 42 2.548 8.105 -7.180 324 HG2 LYS 42 HG2 LYS 42 0.302 8.168 -7.458 325 HG3 LYS 42 HG3 LYS 42 0.774 8.011 -9.152 326 HD2 LYS 42 HD2 LYS 42 0.648 5.495 -8.737 327 HD3 LYS 42 HD3 LYS 42 -0.281 5.917 -7.299 328 HE2 LYS 42 HE2 LYS 42 -1.721 5.429 -9.229 329 HE3 LYS 42 HE3 LYS 42 -1.910 7.085 -8.658 330 HZ1 LYS 42 HZ1 LYS 42 -0.264 6.245 -10.984 331 HZ2 LYS 42 HZ2 LYS 42 -0.488 7.836 -10.451 332 HZ3 LYS 42 HZ3 LYS 42 -1.795 6.962 -11.075 333 H THR 43 HN THR 43 4.643 5.533 -7.610 334 HA THR 43 HA THR 43 6.748 7.484 -7.147 335 HB THR 43 HB THR 43 7.767 5.832 -5.685 336 HG1 THR 43 HG1 THR 43 6.300 4.109 -7.161 337 HG21 THR 43 HG21 THR 43 6.069 7.122 -4.625 338 HG22 THR 43 HG22 THR 43 5.836 5.451 -4.108 339 HG23 THR 43 HG23 THR 43 4.787 6.144 -5.345 340 H GLY 44 HN GLY 44 6.329 4.384 -8.803 341 HA2 GLY 44 HA1 GLY 44 7.412 3.859 -10.839 342 HA3 GLY 44 HA2 GLY 44 8.658 5.034 -10.455 343 H ILE 45 HN ILE 45 8.009 3.149 -7.757 344 HA ILE 45 HA ILE 45 10.522 1.773 -8.014 345 HB ILE 45 HB ILE 45 8.419 1.421 -5.873 346 HG12 ILE 45 HG12 ILE 45 9.088 3.767 -6.038 347 HG13 ILE 45 HG13 ILE 45 9.714 3.046 -4.564 348 HG21 ILE 45 HG21 ILE 45 10.351 0.694 -4.507 349 HG22 ILE 45 HG22 ILE 45 10.019 -0.371 -5.874 350 HG23 ILE 45 HG23 ILE 45 11.357 0.775 -5.953 351 HD11 ILE 45 HD11 ILE 45 11.352 4.502 -5.619 352 HD12 ILE 45 HD12 ILE 45 11.909 2.830 -5.596 353 HD13 ILE 45 HD13 ILE 45 11.281 3.529 -7.087 354 H ILE 46 HN ILE 46 10.811 -0.162 -8.929 355 HA ILE 46 HA ILE 46 8.635 -1.650 -9.961 356 HB ILE 46 HB ILE 46 10.531 -3.450 -10.252 357 HG12 ILE 46 HG12 ILE 46 12.103 -0.902 -9.798 358 HG13 ILE 46 HG13 ILE 46 12.125 -2.319 -8.753 359 HG21 ILE 46 HG21 ILE 46 9.437 -2.242 -12.050 360 HG22 ILE 46 HG22 ILE 46 10.465 -0.840 -11.755 361 HG23 ILE 46 HG23 ILE 46 11.174 -2.345 -12.339 362 HD11 ILE 46 HD11 ILE 46 14.082 -2.317 -10.131 363 HD12 ILE 46 HD12 ILE 46 13.026 -3.637 -10.634 364 HD13 ILE 46 HD13 ILE 46 13.102 -2.157 -11.590 365 HA PRO 47 HA PRO 47 7.144 -4.186 -6.684 366 HB2 PRO 47 HB2 PRO 47 7.455 -6.300 -8.786 367 HB3 PRO 47 HB3 PRO 47 6.105 -5.992 -7.699 368 HG2 PRO 47 HG2 PRO 47 5.949 -5.186 -10.195 369 HG3 PRO 47 HG3 PRO 47 5.393 -4.118 -8.890 370 HD2 PRO 47 HD2 PRO 47 7.883 -3.991 -10.513 371 HD3 PRO 47 HD3 PRO 47 6.900 -2.670 -9.855 372 H GLU 48 HN GLU 48 9.655 -5.734 -8.671 373 HA GLU 48 HA GLU 48 10.519 -7.675 -6.932 374 HB2 GLU 48 HB2 GLU 48 12.678 -7.599 -8.110 375 HB3 GLU 48 HB3 GLU 48 11.311 -7.542 -9.214 376 HG2 GLU 48 HG2 GLU 48 11.593 -5.134 -9.455 377 HG3 GLU 48 HG3 GLU 48 12.953 -5.178 -8.332 378 H THR 49 HN THR 49 10.803 -4.319 -6.446 379 HA THR 49 HA THR 49 12.796 -4.768 -4.321 380 HB THR 49 HB THR 49 12.938 -2.090 -4.700 381 HG1 THR 49 HG1 THR 49 12.770 -3.148 -7.328 382 HG21 THR 49 HG21 THR 49 14.537 -4.225 -6.110 383 HG22 THR 49 HG22 THR 49 14.863 -3.534 -4.521 384 HG23 THR 49 HG23 THR 49 15.025 -2.536 -5.966 385 H GLN 50 HN GLN 50 9.694 -3.590 -5.203 386 HA GLN 50 HA GLN 50 9.100 -1.774 -3.216 387 HB2 GLN 50 HB2 GLN 50 7.338 -3.817 -4.552 388 HB3 GLN 50 HB3 GLN 50 6.735 -2.533 -3.524 389 HG2 GLN 50 HG2 GLN 50 7.731 -0.884 -5.067 390 HG3 GLN 50 HG3 GLN 50 8.206 -2.210 -6.120 391 HE21 GLN 50 HE21 GLN 50 6.369 0.070 -6.533 392 HE22 GLN 50 HE22 GLN 50 4.871 -0.636 -7.029 393 H ILE 51 HN ILE 51 9.244 -1.950 -1.119 394 HA ILE 51 HA ILE 51 8.355 -4.430 0.191 395 HB ILE 51 HB ILE 51 10.560 -2.582 1.136 396 HG12 ILE 51 HG12 ILE 51 11.249 -4.057 -0.685 397 HG13 ILE 51 HG13 ILE 51 12.043 -4.492 0.811 398 HG21 ILE 51 HG21 ILE 51 9.347 -3.415 3.017 399 HG22 ILE 51 HG22 ILE 51 9.392 -5.053 2.362 400 HG23 ILE 51 HG23 ILE 51 10.879 -4.280 2.892 401 HD11 ILE 51 HD11 ILE 51 11.399 -6.486 -0.328 402 HD12 ILE 51 HD12 ILE 51 10.362 -6.302 1.090 403 HD13 ILE 51 HD13 ILE 51 9.744 -5.906 -0.516 404 H VAL 52 HN VAL 52 6.340 -3.814 0.736 405 HA VAL 52 HA VAL 52 5.986 -1.243 2.082 406 HB VAL 52 HB VAL 52 3.488 -1.960 1.771 407 HG11 VAL 52 HG11 VAL 52 5.179 -0.986 -0.529 408 HG12 VAL 52 HG12 VAL 52 3.436 -0.772 -0.366 409 HG13 VAL 52 HG13 VAL 52 4.530 0.020 0.767 410 HG21 VAL 52 HG21 VAL 52 4.393 -3.203 -0.716 411 HG22 VAL 52 HG22 VAL 52 4.584 -4.146 0.762 412 HG23 VAL 52 HG23 VAL 52 2.997 -3.548 0.306 413 H THR 53 HN THR 53 4.357 -1.228 3.780 414 HA THR 53 HA THR 53 4.091 -3.650 5.340 415 HB THR 53 HB THR 53 5.048 -1.837 7.257 416 HG1 THR 53 HG1 THR 53 7.308 -2.002 5.896 417 HG21 THR 53 HG21 THR 53 6.923 -3.497 7.429 418 HG22 THR 53 HG22 THR 53 6.256 -4.300 6.006 419 HG23 THR 53 HG23 THR 53 5.304 -4.193 7.491 420 H LEU 54 HN LEU 54 2.318 -3.720 6.417 421 HA LEU 54 HA LEU 54 0.661 -1.340 6.682 422 HB2 LEU 54 HB2 LEU 54 0.230 -4.200 6.436 423 HB3 LEU 54 HB3 LEU 54 -0.635 -3.554 7.811 424 HG LEU 54 HG LEU 54 -2.056 -3.611 5.872 425 HD11 LEU 54 HD11 LEU 54 -1.267 -0.795 6.599 426 HD12 LEU 54 HD12 LEU 54 -2.775 -1.262 5.811 427 HD13 LEU 54 HD13 LEU 54 -2.432 -1.806 7.454 428 HD21 LEU 54 HD21 LEU 54 -1.575 -2.159 3.934 429 HD22 LEU 54 HD22 LEU 54 0.037 -1.889 4.595 430 HD23 LEU 54 HD23 LEU 54 -0.459 -3.512 4.116 431 H ASN 55 HN ASN 55 -0.764 -2.097 8.995 432 HA ASN 55 HA ASN 55 0.804 -1.012 11.017 433 HB2 ASN 55 HB2 ASN 55 -0.978 -2.318 12.498 434 HB3 ASN 55 HB3 ASN 55 -1.436 -0.916 11.533 435 HD21 ASN 55 HD21 ASN 55 -2.446 -1.268 9.500 436 HD22 ASN 55 HD22 ASN 55 -3.331 -2.719 9.194 437 H GLY 56 HN GLY 56 2.792 -1.953 11.265 438 HA2 GLY 56 HA1 GLY 56 4.366 -3.420 12.035 439 HA3 GLY 56 HA2 GLY 56 3.094 -4.058 13.062 440 H LYS 57 HN LYS 57 2.184 -4.364 9.836 441 HA LYS 57 HA LYS 57 3.107 -7.167 9.820 442 HB2 LYS 57 HB2 LYS 57 0.711 -6.006 8.408 443 HB3 LYS 57 HB3 LYS 57 1.153 -7.699 8.466 444 HG2 LYS 57 HG2 LYS 57 -0.195 -5.998 10.470 445 HG3 LYS 57 HG3 LYS 57 -0.469 -7.686 10.040 446 HD2 LYS 57 HD2 LYS 57 1.724 -8.193 11.177 447 HD3 LYS 57 HD3 LYS 57 1.680 -6.542 11.779 448 HE2 LYS 57 HE2 LYS 57 -0.462 -6.983 12.869 449 HE3 LYS 57 HE3 LYS 57 -0.428 -8.639 12.265 450 HZ1 LYS 57 HZ1 LYS 57 1.573 -7.454 14.113 451 HZ2 LYS 57 HZ2 LYS 57 1.546 -9.055 13.569 452 HZ3 LYS 57 HZ3 LYS 57 0.309 -8.484 14.571 453 H ARG 58 HN ARG 58 4.044 -8.022 7.967 454 HA ARG 58 HA ARG 58 4.994 -6.085 6.026 455 HB2 ARG 58 HB2 ARG 58 5.573 -9.016 6.439 456 HB3 ARG 58 HB3 ARG 58 6.259 -8.072 5.125 457 HG2 ARG 58 HG2 ARG 58 6.611 -6.877 7.766 458 HG3 ARG 58 HG3 ARG 58 7.402 -8.438 7.557 459 HD2 ARG 58 HD2 ARG 58 8.176 -7.341 5.270 460 HD3 ARG 58 HD3 ARG 58 7.887 -5.849 6.166 461 HE ARG 58 HE ARG 58 9.452 -6.888 7.884 462 HH11 ARG 58 HH11 ARG 58 11.366 -7.813 4.490 463 HH12 ARG 58 HH12 ARG 58 9.666 -7.485 4.456 464 HH21 ARG 58 HH21 ARG 58 12.516 -7.717 6.466 465 HH22 ARG 58 HH22 ARG 58 11.691 -7.318 7.935 466 H LEU 59 HN LEU 59 4.566 -6.131 3.832 467 HA LEU 59 HA LEU 59 2.045 -7.371 3.111 468 HB2 LEU 59 HB2 LEU 59 3.826 -5.320 1.880 469 HB3 LEU 59 HB3 LEU 59 2.617 -6.099 0.892 470 HG LEU 59 HG LEU 59 2.007 -3.877 1.887 471 HD11 LEU 59 HD11 LEU 59 0.330 -6.322 2.312 472 HD12 LEU 59 HD12 LEU 59 -0.278 -4.702 2.654 473 HD13 LEU 59 HD13 LEU 59 0.232 -5.124 1.021 474 HD21 LEU 59 HD21 LEU 59 1.584 -5.425 4.410 475 HD22 LEU 59 HD22 LEU 59 3.030 -4.459 4.115 476 HD23 LEU 59 HD23 LEU 59 1.449 -3.686 4.152 477 H GLU 60 HN GLU 60 1.944 -9.308 2.255 478 HA GLU 60 HA GLU 60 4.313 -10.434 0.956 479 HB2 GLU 60 HB2 GLU 60 3.744 -12.075 2.404 480 HB3 GLU 60 HB3 GLU 60 2.093 -11.518 2.540 481 HG2 GLU 60 HG2 GLU 60 1.487 -12.618 0.512 482 HG3 GLU 60 HG3 GLU 60 3.161 -13.078 0.235 483 H ASP 61 HN ASP 61 4.302 -11.210 -1.106 484 HA ASP 61 HA ASP 61 2.544 -10.048 -2.967 485 HB2 ASP 61 HB2 ASP 61 4.813 -10.703 -3.577 486 HB3 ASP 61 HB3 ASP 61 4.428 -12.396 -3.284 487 H GLY 62 HN GLY 62 0.569 -10.613 -3.584 488 HA2 GLY 62 HA1 GLY 62 -0.985 -12.239 -4.414 489 HA3 GLY 62 HA2 GLY 62 -0.238 -13.434 -3.366 490 H LYS 63 HN LYS 63 -0.198 -11.678 -1.026 491 HA LYS 63 HA LYS 63 -2.761 -12.295 0.013 492 HB2 LYS 63 HB2 LYS 63 -0.339 -11.667 1.121 493 HB3 LYS 63 HB3 LYS 63 -1.243 -10.190 1.406 494 HG2 LYS 63 HG2 LYS 63 -1.432 -11.654 3.309 495 HG3 LYS 63 HG3 LYS 63 -3.001 -11.499 2.514 496 HD2 LYS 63 HD2 LYS 63 -2.832 -13.645 1.545 497 HD3 LYS 63 HD3 LYS 63 -1.114 -13.760 1.923 498 HE2 LYS 63 HE2 LYS 63 -1.660 -13.815 4.318 499 HE3 LYS 63 HE3 LYS 63 -3.376 -13.731 3.919 500 HZ1 LYS 63 HZ1 LYS 63 -3.164 -15.838 2.747 501 HZ2 LYS 63 HZ2 LYS 63 -2.694 -15.999 4.363 502 HZ3 LYS 63 HZ3 LYS 63 -1.522 -15.920 3.148 503 H MET 64 HN MET 64 -4.372 -10.806 0.809 504 HA MET 64 HA MET 64 -4.618 -8.447 -0.904 505 HB2 MET 64 HB2 MET 64 -6.895 -8.902 0.772 506 HB3 MET 64 HB3 MET 64 -6.790 -8.959 -0.975 507 HG2 MET 64 HG2 MET 64 -6.011 -11.300 -0.807 508 HG3 MET 64 HG3 MET 64 -6.258 -11.216 0.934 509 HE1 MET 64 HE1 MET 64 -7.897 -11.285 -2.587 510 HE2 MET 64 HE2 MET 64 -9.605 -11.026 -2.232 511 HE3 MET 64 HE3 MET 64 -8.449 -9.713 -2.010 512 H MET 65 HN MET 65 -5.156 -6.407 -0.006 513 HA MET 65 HA MET 65 -3.824 -5.847 2.434 514 HB2 MET 65 HB2 MET 65 -3.910 -3.731 1.707 515 HB3 MET 65 HB3 MET 65 -4.703 -4.356 0.275 516 HG2 MET 65 HG2 MET 65 -6.774 -3.708 0.958 517 HG3 MET 65 HG3 MET 65 -6.330 -3.638 2.654 518 HE1 MET 65 HE1 MET 65 -7.902 -1.390 0.661 519 HE2 MET 65 HE2 MET 65 -7.847 -1.289 2.420 520 HE3 MET 65 HE3 MET 65 -7.312 0.077 1.442 521 H ALA 66 HN ALA 66 -7.039 -6.711 1.590 522 HA ALA 66 HA ALA 66 -8.391 -5.804 3.904 523 HB1 ALA 66 HB1 ALA 66 -9.546 -6.472 1.826 524 HB2 ALA 66 HB2 ALA 66 -9.076 -8.144 2.123 525 HB3 ALA 66 HB3 ALA 66 -10.167 -7.324 3.240 526 H ASP 67 HN ASP 67 -6.425 -8.565 3.144 527 HA ASP 67 HA ASP 67 -7.167 -10.240 5.284 528 HB2 ASP 67 HB2 ASP 67 -5.841 -11.051 3.387 529 HB3 ASP 67 HB3 ASP 67 -4.504 -10.007 3.860 530 H TYR 68 HN TYR 68 -5.326 -7.343 5.116 531 HA TYR 68 HA TYR 68 -3.988 -7.787 7.660 532 HB2 TYR 68 HB2 TYR 68 -4.020 -5.411 5.785 533 HB3 TYR 68 HB3 TYR 68 -3.022 -5.537 7.233 534 HD1 TYR 68 HD1 TYR 68 -3.647 -7.078 3.919 535 HD2 TYR 68 HD2 TYR 68 -0.950 -6.674 7.182 536 HE1 TYR 68 HE1 TYR 68 -1.895 -8.183 2.601 537 HE2 TYR 68 HE2 TYR 68 0.811 -7.780 5.882 538 HH TYR 68 HH TYR 68 0.570 -8.289 2.541 539 H GLY 69 HN GLY 69 -7.023 -7.272 6.979 540 HA2 GLY 69 HA1 GLY 69 -8.806 -6.194 7.948 541 HA3 GLY 69 HA2 GLY 69 -7.867 -6.365 9.424 542 H ILE 70 HN ILE 70 -7.156 -4.415 6.542 543 HA ILE 70 HA ILE 70 -6.476 -2.171 8.152 544 HB ILE 70 HB ILE 70 -6.035 -0.986 6.134 545 HG12 ILE 70 HG12 ILE 70 -7.759 -1.295 4.611 546 HG13 ILE 70 HG13 ILE 70 -6.473 -2.268 3.910 547 HG21 ILE 70 HG21 ILE 70 -5.270 -3.873 5.781 548 HG22 ILE 70 HG22 ILE 70 -4.483 -2.485 5.026 549 HG23 ILE 70 HG23 ILE 70 -4.429 -2.683 6.777 550 HD11 ILE 70 HD11 ILE 70 -7.471 -4.277 4.659 551 HD12 ILE 70 HD12 ILE 70 -8.681 -3.390 5.590 552 HD13 ILE 70 HD13 ILE 70 -8.691 -3.317 3.831 553 H ARG 71 HN ARG 71 -7.448 0.043 7.145 554 HA ARG 71 HA ARG 71 -10.375 -0.150 7.251 555 HB2 ARG 71 HB2 ARG 71 -8.773 1.897 8.784 556 HB3 ARG 71 HB3 ARG 71 -10.505 1.661 8.823 557 HG2 ARG 71 HG2 ARG 71 -9.931 0.634 10.759 558 HG3 ARG 71 HG3 ARG 71 -9.833 -0.726 9.644 559 HD2 ARG 71 HD2 ARG 71 -7.509 -0.678 9.586 560 HD3 ARG 71 HD3 ARG 71 -7.443 0.982 10.174 561 HE ARG 71 HE ARG 71 -8.588 -0.701 12.134 562 HH11 ARG 71 HH11 ARG 71 -4.598 -0.379 12.040 563 HH12 ARG 71 HH12 ARG 71 -5.531 0.064 10.649 564 HH21 ARG 71 HH21 ARG 71 -5.643 -1.146 13.927 565 HH22 ARG 71 HH22 ARG 71 -7.368 -1.286 13.970 566 H LYS 72 HN LYS 72 -11.341 2.114 6.827 567 HA LYS 72 HA LYS 72 -10.632 2.960 4.274 568 HB2 LYS 72 HB2 LYS 72 -12.105 4.443 6.423 569 HB3 LYS 72 HB3 LYS 72 -12.055 4.925 4.740 570 HG2 LYS 72 HG2 LYS 72 -13.542 3.377 4.131 571 HG3 LYS 72 HG3 LYS 72 -12.901 2.195 5.268 572 HD2 LYS 72 HD2 LYS 72 -13.970 3.355 7.102 573 HD3 LYS 72 HD3 LYS 72 -14.602 4.549 5.977 574 HE2 LYS 72 HE2 LYS 72 -15.932 2.867 4.866 575 HE3 LYS 72 HE3 LYS 72 -15.218 1.603 5.865 576 HZ1 LYS 72 HZ1 LYS 72 -16.927 3.829 6.842 577 HZ2 LYS 72 HZ2 LYS 72 -16.232 2.630 7.812 578 HZ3 LYS 72 HZ3 LYS 72 -17.407 2.215 6.667 579 H GLY 73 HN GLY 73 -9.095 4.265 3.563 580 HA2 GLY 73 HA1 GLY 73 -7.212 5.589 3.574 581 HA3 GLY 73 HA2 GLY 73 -8.065 6.528 4.791 582 H ASN 74 HN ASN 74 -6.719 3.208 4.861 583 HA ASN 74 HA ASN 74 -5.685 3.606 7.474 584 HB2 ASN 74 HB2 ASN 74 -6.357 1.375 6.188 585 HB3 ASN 74 HB3 ASN 74 -4.653 1.401 5.746 586 HD21 ASN 74 HD21 ASN 74 -5.802 2.737 8.740 587 HD22 ASN 74 HD22 ASN 74 -5.133 1.524 9.770 588 H LEU 75 HN LEU 75 -3.371 3.188 7.987 589 HA LEU 75 HA LEU 75 -1.728 4.939 6.350 590 HB2 LEU 75 HB2 LEU 75 -1.438 3.772 9.099 591 HB3 LEU 75 HB3 LEU 75 -0.081 4.528 8.297 592 HG LEU 75 HG LEU 75 -2.672 5.836 9.114 593 HD11 LEU 75 HD11 LEU 75 0.186 6.337 9.929 594 HD12 LEU 75 HD12 LEU 75 -1.235 7.200 10.519 595 HD13 LEU 75 HD13 LEU 75 -1.023 5.488 10.893 596 HD21 LEU 75 HD21 LEU 75 -2.037 6.736 6.959 597 HD22 LEU 75 HD22 LEU 75 -1.695 7.920 8.220 598 HD23 LEU 75 HD23 LEU 75 -0.382 6.979 7.515 599 H LEU 76 HN LEU 76 -0.150 4.301 5.048 600 HA LEU 76 HA LEU 76 0.800 1.517 5.230 601 HB2 LEU 76 HB2 LEU 76 0.558 3.036 2.643 602 HB3 LEU 76 HB3 LEU 76 0.842 1.322 2.865 603 HG LEU 76 HG LEU 76 -1.743 2.757 3.484 604 HD11 LEU 76 HD11 LEU 76 -0.948 0.956 1.202 605 HD12 LEU 76 HD12 LEU 76 -2.598 1.472 1.549 606 HD13 LEU 76 HD13 LEU 76 -1.376 2.664 1.109 607 HD21 LEU 76 HD21 LEU 76 -2.644 0.465 3.716 608 HD22 LEU 76 HD22 LEU 76 -1.001 -0.162 3.588 609 HD23 LEU 76 HD23 LEU 76 -1.448 0.865 4.950 610 H PHE 77 HN PHE 77 2.976 1.157 4.553 611 HA PHE 77 HA PHE 77 4.617 3.599 4.399 612 HB2 PHE 77 HB2 PHE 77 5.043 1.120 6.057 613 HB3 PHE 77 HB3 PHE 77 6.393 2.155 5.604 614 HD1 PHE 77 HD1 PHE 77 6.881 4.079 6.834 615 HD2 PHE 77 HD2 PHE 77 3.116 2.160 7.333 616 HE1 PHE 77 HE1 PHE 77 6.392 5.544 8.749 617 HE2 PHE 77 HE2 PHE 77 2.619 3.622 9.247 618 HZ PHE 77 HZ PHE 77 4.281 5.321 9.961 619 H LEU 78 HN LEU 78 5.975 3.688 2.716 620 HA LEU 78 HA LEU 78 6.294 1.261 1.097 621 HB2 LEU 78 HB2 LEU 78 5.280 3.217 -0.010 622 HB3 LEU 78 HB3 LEU 78 6.724 4.152 0.331 623 HG LEU 78 HG LEU 78 8.032 2.610 -1.101 624 HD11 LEU 78 HD11 LEU 78 5.335 1.409 -1.711 625 HD12 LEU 78 HD12 LEU 78 6.831 1.062 -2.581 626 HD13 LEU 78 HD13 LEU 78 6.674 0.613 -0.882 627 HD21 LEU 78 HD21 LEU 78 7.105 3.383 -3.243 628 HD22 LEU 78 HD22 LEU 78 5.634 3.886 -2.411 629 HD23 LEU 78 HD23 LEU 78 7.170 4.671 -2.041 630 H ALA 79 HN ALA 79 8.270 0.504 0.495 631 HA ALA 79 HA ALA 79 10.702 1.928 1.168 632 HB1 ALA 79 HB1 ALA 79 11.592 0.275 2.653 633 HB2 ALA 79 HB2 ALA 79 10.023 0.782 3.280 634 HB3 ALA 79 HB3 ALA 79 10.178 -0.757 2.430 635 H SER 80 HN SER 80 12.660 0.458 0.599 636 HA SER 80 HA SER 80 11.979 -1.429 -1.535 637 HB2 SER 80 HB2 SER 80 14.061 0.734 -1.899 638 HB3 SER 80 HB3 SER 80 13.547 -0.461 -3.089 639 HG SER 80 HG SER 80 11.903 0.753 -3.567 640 H TYR 81 HN TYR 81 13.700 -2.893 -2.096 641 HA TYR 81 HA TYR 81 15.013 -3.995 0.082 642 HB2 TYR 81 HB2 TYR 81 14.859 -4.489 -2.740 643 HB3 TYR 81 HB3 TYR 81 16.512 -4.719 -2.187 644 HD1 TYR 81 HD1 TYR 81 13.290 -6.189 -2.469 645 HD2 TYR 81 HD2 TYR 81 16.834 -6.236 -0.113 646 HE1 TYR 81 HE1 TYR 81 12.684 -8.414 -1.609 647 HE2 TYR 81 HE2 TYR 81 16.239 -8.459 0.750 648 HH TYR 81 HH TYR 81 13.824 -10.381 -0.624 649 H SER 82 HN SER 82 16.100 -1.566 -2.198 650 HA SER 82 HA SER 82 17.950 -0.244 -2.285 651 HB2 SER 82 HB2 SER 82 18.099 -0.904 0.667 652 HB3 SER 82 HB3 SER 82 18.953 0.416 -0.131 653 HG SER 82 HG SER 82 17.005 1.400 -0.556 654 H ILE 83 HN ILE 83 18.168 -3.211 -2.598 655 HA ILE 83 HA ILE 83 19.772 -4.754 -3.054 656 HB ILE 83 HB ILE 83 21.784 -2.526 -2.761 657 HG12 ILE 83 HG12 ILE 83 20.018 -1.790 -4.278 658 HG13 ILE 83 HG13 ILE 83 21.483 -2.147 -5.184 659 HG21 ILE 83 HG21 ILE 83 23.072 -3.849 -4.381 660 HG22 ILE 83 HG22 ILE 83 22.748 -4.747 -2.898 661 HG23 ILE 83 HG23 ILE 83 21.814 -5.086 -4.355 662 HD11 ILE 83 HD11 ILE 83 19.550 -2.962 -6.367 663 HD12 ILE 83 HD12 ILE 83 20.531 -4.321 -5.820 664 HD13 ILE 83 HD13 ILE 83 19.049 -3.901 -4.960 665 H GLY 84 HN GLY 84 19.751 -6.118 -1.348 666 HA2 GLY 84 HA1 GLY 84 21.889 -5.821 0.602 667 HA3 GLY 84 HA2 GLY 84 20.259 -5.835 1.257 668 H GLY 85 HN GLY 85 22.329 -7.734 1.813 669 HA2 GLY 85 HA1 GLY 85 21.095 -10.094 2.006 670 HA3 GLY 85 HA2 GLY 85 21.625 -10.136 0.331 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -16.435 13.585 -1.184 2 H2 GLY 1 H2 GLY 1 -16.309 15.272 -1.183 3 H3 GLY 1 H3 GLY 1 -14.913 14.320 -1.095 4 HA2 GLY 1 HA2 GLY 1 -16.767 14.492 -3.409 5 HA3 GLY 1 HA1 GLY 1 -15.173 15.224 -3.315 6 H ALA 2 HN ALA 2 -16.777 12.762 -4.654 7 HA ALA 2 HA ALA 2 -16.196 10.815 -5.668 8 HB1 ALA 2 HB1 ALA 2 -13.368 11.745 -5.184 9 HB2 ALA 2 HB2 ALA 2 -13.880 10.504 -6.329 10 HB3 ALA 2 HB3 ALA 2 -14.367 12.182 -6.570 11 H MET 3 HN MET 3 -16.897 9.219 -4.359 12 HA MET 3 HA MET 3 -15.077 8.301 -2.231 13 HB2 MET 3 HB2 MET 3 -17.207 9.055 -1.337 14 HB3 MET 3 HB3 MET 3 -18.078 8.015 -2.454 15 HG2 MET 3 HG2 MET 3 -17.163 6.047 -1.363 16 HG3 MET 3 HG3 MET 3 -16.240 7.071 -0.265 17 HE1 MET 3 HE1 MET 3 -18.302 4.708 0.646 18 HE2 MET 3 HE2 MET 3 -17.270 5.649 1.722 19 HE3 MET 3 HE3 MET 3 -18.997 5.513 2.053 20 H GLY 4 HN GLY 4 -17.694 6.918 -4.230 21 HA2 GLY 4 HA1 GLY 4 -16.969 5.244 -5.935 22 HA3 GLY 4 HA2 GLY 4 -15.952 4.571 -4.671 23 H ASP 5 HN ASP 5 -16.735 2.745 -3.878 24 HA ASP 5 HA ASP 5 -19.405 2.567 -2.879 25 HB2 ASP 5 HB2 ASP 5 -20.085 0.638 -4.320 26 HB3 ASP 5 HB3 ASP 5 -19.980 2.169 -5.182 27 H GLU 6 HN GLU 6 -16.768 0.475 -4.080 28 HA GLU 6 HA GLU 6 -16.888 -0.979 -1.529 29 HB2 GLU 6 HB2 GLU 6 -17.304 -2.636 -3.049 30 HB3 GLU 6 HB3 GLU 6 -16.437 -1.818 -4.340 31 HG2 GLU 6 HG2 GLU 6 -14.321 -2.471 -3.344 32 HG3 GLU 6 HG3 GLU 6 -15.178 -3.285 -2.034 33 H GLU 7 HN GLU 7 -14.824 0.684 -3.806 34 HA GLU 7 HA GLU 7 -12.309 -0.039 -2.872 35 HB2 GLU 7 HB2 GLU 7 -13.127 2.683 -3.896 36 HB3 GLU 7 HB3 GLU 7 -11.500 2.018 -3.878 37 HG2 GLU 7 HG2 GLU 7 -12.215 0.270 -5.445 38 HG3 GLU 7 HG3 GLU 7 -13.824 0.987 -5.488 39 H LEU 8 HN LEU 8 -10.771 1.435 -1.700 40 HA LEU 8 HA LEU 8 -11.978 3.049 0.398 41 HB2 LEU 8 HB2 LEU 8 -10.244 0.650 0.990 42 HB3 LEU 8 HB3 LEU 8 -10.700 1.864 2.168 43 HG LEU 8 HG LEU 8 -12.633 0.060 0.710 44 HD11 LEU 8 HD11 LEU 8 -11.673 -0.036 3.567 45 HD12 LEU 8 HD12 LEU 8 -12.867 -1.102 2.825 46 HD13 LEU 8 HD13 LEU 8 -11.187 -1.151 2.289 47 HD21 LEU 8 HD21 LEU 8 -13.070 1.953 3.020 48 HD22 LEU 8 HD22 LEU 8 -13.582 2.235 1.357 49 HD23 LEU 8 HD23 LEU 8 -14.282 0.906 2.281 50 HA PRO 9 HA PRO 9 -8.372 5.438 -0.493 51 HB2 PRO 9 HB2 PRO 9 -8.250 6.953 1.769 52 HB3 PRO 9 HB3 PRO 9 -9.400 7.244 0.460 53 HG2 PRO 9 HG2 PRO 9 -9.812 5.852 3.071 54 HG3 PRO 9 HG3 PRO 9 -10.887 6.970 2.214 55 HD2 PRO 9 HD2 PRO 9 -11.235 4.280 2.186 56 HD3 PRO 9 HD3 PRO 9 -11.697 5.322 0.828 57 H LEU 10 HN LEU 10 -6.195 5.914 0.308 58 HA LEU 10 HA LEU 10 -5.271 4.394 2.600 59 HB2 LEU 10 HB2 LEU 10 -4.402 3.806 -0.219 60 HB3 LEU 10 HB3 LEU 10 -3.429 3.382 1.176 61 HG LEU 10 HG LEU 10 -6.257 2.435 0.833 62 HD11 LEU 10 HD11 LEU 10 -5.357 0.330 0.020 63 HD12 LEU 10 HD12 LEU 10 -4.919 1.653 -1.059 64 HD13 LEU 10 HD13 LEU 10 -3.726 0.998 0.059 65 HD21 LEU 10 HD21 LEU 10 -5.419 2.366 3.101 66 HD22 LEU 10 HD22 LEU 10 -5.562 0.732 2.456 67 HD23 LEU 10 HD23 LEU 10 -3.981 1.501 2.566 68 H PHE 11 HN PHE 11 -2.900 4.720 2.931 69 HA PHE 11 HA PHE 11 -2.087 7.402 2.023 70 HB2 PHE 11 HB2 PHE 11 -2.126 6.273 4.811 71 HB3 PHE 11 HB3 PHE 11 -1.136 7.665 4.386 72 HD1 PHE 11 HD1 PHE 11 -4.369 6.497 5.333 73 HD2 PHE 11 HD2 PHE 11 -2.314 9.724 3.472 74 HE1 PHE 11 HE1 PHE 11 -6.308 7.951 5.732 75 HE2 PHE 11 HE2 PHE 11 -4.251 11.189 3.865 76 HZ PHE 11 HZ PHE 11 -6.253 10.305 4.997 77 H LEU 12 HN LEU 12 -0.378 6.972 0.743 78 HA LEU 12 HA LEU 12 1.515 4.898 1.436 79 HB2 LEU 12 HB2 LEU 12 0.671 5.450 -0.905 80 HB3 LEU 12 HB3 LEU 12 1.674 6.882 -0.828 81 HG LEU 12 HG LEU 12 2.662 4.987 -2.090 82 HD11 LEU 12 HD11 LEU 12 4.879 5.250 -1.224 83 HD12 LEU 12 HD12 LEU 12 4.026 6.784 -1.070 84 HD13 LEU 12 HD13 LEU 12 4.255 5.756 0.344 85 HD21 LEU 12 HD21 LEU 12 2.878 3.694 0.623 86 HD22 LEU 12 HD22 LEU 12 1.830 3.163 -0.692 87 HD23 LEU 12 HD23 LEU 12 3.582 3.091 -0.878 88 H VAL 13 HN VAL 13 2.780 5.485 3.145 89 HA VAL 13 HA VAL 13 3.930 8.176 3.195 90 HB VAL 13 HB VAL 13 4.122 6.061 5.337 91 HG11 VAL 13 HG11 VAL 13 4.617 7.962 6.794 92 HG12 VAL 13 HG12 VAL 13 5.786 7.830 5.482 93 HG13 VAL 13 HG13 VAL 13 4.515 9.050 5.410 94 HG21 VAL 13 HG21 VAL 13 2.285 7.273 6.459 95 HG22 VAL 13 HG22 VAL 13 2.078 8.255 5.008 96 HG23 VAL 13 HG23 VAL 13 1.783 6.516 4.947 97 H GLU 14 HN GLU 14 5.786 8.362 2.118 98 HA GLU 14 HA GLU 14 7.508 6.220 1.498 99 HB2 GLU 14 HB2 GLU 14 7.559 9.161 1.222 100 HB3 GLU 14 HB3 GLU 14 9.126 8.370 1.228 101 HG2 GLU 14 HG2 GLU 14 6.882 7.520 -0.571 102 HG3 GLU 14 HG3 GLU 14 8.062 8.748 -1.019 103 H SER 15 HN SER 15 9.172 5.313 2.543 104 HA SER 15 HA SER 15 9.601 5.847 5.293 105 HB2 SER 15 HB2 SER 15 9.890 3.601 4.402 106 HB3 SER 15 HB3 SER 15 11.196 4.160 3.356 107 HG SER 15 HG SER 15 12.419 3.649 4.984 108 H GLY 16 HN GLY 16 11.682 6.342 2.444 109 HA2 GLY 16 HA1 GLY 16 13.849 7.456 3.784 110 HA3 GLY 16 HA2 GLY 16 13.434 7.790 2.109 111 H ASP 17 HN ASP 17 10.903 8.994 2.616 112 HA ASP 17 HA ASP 17 11.436 11.264 4.355 113 HB2 ASP 17 HB2 ASP 17 10.978 11.558 1.379 114 HB3 ASP 17 HB3 ASP 17 10.898 12.887 2.529 115 H GLU 18 HN GLU 18 9.680 11.182 5.592 116 HA GLU 18 HA GLU 18 7.208 10.100 4.907 117 HB2 GLU 18 HB2 GLU 18 6.356 11.134 6.927 118 HB3 GLU 18 HB3 GLU 18 7.959 10.476 7.218 119 HG2 GLU 18 HG2 GLU 18 8.942 12.655 7.093 120 HG3 GLU 18 HG3 GLU 18 7.401 13.359 6.606 121 H ALA 19 HN ALA 19 8.543 13.196 4.215 122 HA ALA 19 HA ALA 19 6.154 14.658 3.855 123 HB1 ALA 19 HB1 ALA 19 8.335 15.733 4.087 124 HB2 ALA 19 HB2 ALA 19 8.837 15.058 2.536 125 HB3 ALA 19 HB3 ALA 19 7.528 16.238 2.602 126 H LYS 20 HN LYS 20 7.974 12.509 1.764 127 HA LYS 20 HA LYS 20 6.421 13.156 -0.566 128 HB2 LYS 20 HB2 LYS 20 8.220 10.766 -0.314 129 HB3 LYS 20 HB3 LYS 20 7.839 11.709 -1.748 130 HG2 LYS 20 HG2 LYS 20 9.573 12.552 0.561 131 HG3 LYS 20 HG3 LYS 20 10.098 12.160 -1.077 132 HD2 LYS 20 HD2 LYS 20 8.731 14.070 -1.899 133 HD3 LYS 20 HD3 LYS 20 8.384 14.492 -0.224 134 HE2 LYS 20 HE2 LYS 20 10.792 14.760 0.191 135 HE3 LYS 20 HE3 LYS 20 11.115 14.379 -1.501 136 HZ1 LYS 20 HZ1 LYS 20 9.854 16.334 -2.146 137 HZ2 LYS 20 HZ2 LYS 20 11.117 16.764 -1.107 138 HZ3 LYS 20 HZ3 LYS 20 9.531 16.696 -0.525 139 H ARG 21 HN ARG 21 4.490 12.567 1.016 140 HA ARG 21 HA ARG 21 3.855 9.715 0.709 141 HB2 ARG 21 HB2 ARG 21 2.106 10.108 2.406 142 HB3 ARG 21 HB3 ARG 21 3.706 10.507 2.989 143 HG2 ARG 21 HG2 ARG 21 2.569 12.307 3.760 144 HG3 ARG 21 HG3 ARG 21 3.040 12.909 2.167 145 HD2 ARG 21 HD2 ARG 21 0.850 11.845 1.380 146 HD3 ARG 21 HD3 ARG 21 0.402 11.870 3.083 147 HE ARG 21 HE ARG 21 1.325 14.419 2.323 148 HH11 ARG 21 HH11 ARG 21 -2.520 13.581 1.583 149 HH12 ARG 21 HH12 ARG 21 -1.396 12.292 1.855 150 HH21 ARG 21 HH21 ARG 21 -1.812 15.755 1.644 151 HH22 ARG 21 HH22 ARG 21 -0.150 16.120 1.965 152 H HIS 22 HN HIS 22 1.671 9.132 0.027 153 HA HIS 22 HA HIS 22 0.207 11.185 -1.448 154 HB2 HIS 22 HB2 HIS 22 0.689 8.699 -2.991 155 HB3 HIS 22 HB3 HIS 22 0.558 10.364 -3.549 156 HD2 HIS 22 HD2 HIS 22 3.188 7.741 -3.170 157 HE1 HIS 22 HE1 HIS 22 5.209 11.441 -2.811 158 H LEU 23 HN LEU 23 -1.929 10.917 -1.295 159 HA LEU 23 HA LEU 23 -2.985 8.492 -0.067 160 HB2 LEU 23 HB2 LEU 23 -3.616 10.928 0.538 161 HB3 LEU 23 HB3 LEU 23 -4.586 10.893 -0.918 162 HG LEU 23 HG LEU 23 -4.932 9.040 1.445 163 HD11 LEU 23 HD11 LEU 23 -6.586 11.388 0.540 164 HD12 LEU 23 HD12 LEU 23 -6.967 10.303 1.876 165 HD13 LEU 23 HD13 LEU 23 -5.546 11.344 1.964 166 HD21 LEU 23 HD21 LEU 23 -6.475 9.356 -1.122 167 HD22 LEU 23 HD22 LEU 23 -5.670 7.909 -0.514 168 HD23 LEU 23 HD23 LEU 23 -7.107 8.527 0.301 169 H LEU 24 HN LEU 24 -3.903 6.891 -1.216 170 HA LEU 24 HA LEU 24 -5.014 7.524 -3.856 171 HB2 LEU 24 HB2 LEU 24 -3.355 5.075 -3.354 172 HB3 LEU 24 HB3 LEU 24 -3.938 5.686 -4.884 173 HG LEU 24 HG LEU 24 -1.938 7.179 -3.202 174 HD11 LEU 24 HD11 LEU 24 -1.429 5.270 -5.480 175 HD12 LEU 24 HD12 LEU 24 -0.225 6.308 -4.718 176 HD13 LEU 24 HD13 LEU 24 -0.990 5.017 -3.791 177 HD21 LEU 24 HD21 LEU 24 -1.515 8.390 -5.248 178 HD22 LEU 24 HD22 LEU 24 -2.654 7.366 -6.122 179 HD23 LEU 24 HD23 LEU 24 -3.236 8.456 -4.866 180 H GLN 25 HN GLN 25 -6.870 6.539 -4.333 181 HA GLN 25 HA GLN 25 -8.111 4.850 -2.368 182 HB2 GLN 25 HB2 GLN 25 -8.930 6.479 -4.620 183 HB3 GLN 25 HB3 GLN 25 -9.799 4.961 -4.537 184 HG2 GLN 25 HG2 GLN 25 -9.484 6.575 -2.074 185 HG3 GLN 25 HG3 GLN 25 -10.652 7.076 -3.292 186 HE21 GLN 25 HE21 GLN 25 -9.861 3.751 -2.954 187 HE22 GLN 25 HE22 GLN 25 -11.321 3.241 -2.206 188 H VAL 26 HN VAL 26 -8.216 2.753 -2.395 189 HA VAL 26 HA VAL 26 -8.272 1.212 -4.844 190 HB VAL 26 HB VAL 26 -6.300 0.012 -3.060 191 HG11 VAL 26 HG11 VAL 26 -5.071 -0.187 -5.225 192 HG12 VAL 26 HG12 VAL 26 -6.697 -0.874 -5.236 193 HG13 VAL 26 HG13 VAL 26 -6.395 0.691 -5.993 194 HG21 VAL 26 HG21 VAL 26 -5.768 2.413 -2.708 195 HG22 VAL 26 HG22 VAL 26 -4.469 1.516 -3.496 196 HG23 VAL 26 HG23 VAL 26 -5.512 2.575 -4.444 197 H ARG 27 HN ARG 27 -9.152 -0.843 -4.571 198 HA ARG 27 HA ARG 27 -10.897 -1.191 -2.394 199 HB2 ARG 27 HB2 ARG 27 -9.925 -3.436 -4.154 200 HB3 ARG 27 HB3 ARG 27 -11.482 -3.282 -3.353 201 HG2 ARG 27 HG2 ARG 27 -12.203 -1.620 -4.852 202 HG3 ARG 27 HG3 ARG 27 -10.572 -1.394 -5.481 203 HD2 ARG 27 HD2 ARG 27 -10.612 -3.595 -6.485 204 HD3 ARG 27 HD3 ARG 27 -12.195 -3.917 -5.777 205 HE ARG 27 HE ARG 27 -12.771 -1.786 -7.214 206 HH11 ARG 27 HH11 ARG 27 -11.142 -4.418 -9.757 207 HH12 ARG 27 HH12 ARG 27 -10.786 -4.523 -8.066 208 HH21 ARG 27 HH21 ARG 27 -12.538 -2.781 -10.538 209 HH22 ARG 27 HH22 ARG 27 -13.245 -1.643 -9.440 210 H ARG 28 HN ARG 28 -10.865 -2.678 -0.695 211 HA ARG 28 HA ARG 28 -8.313 -3.059 0.483 212 HB2 ARG 28 HB2 ARG 28 -9.719 -4.519 2.130 213 HB3 ARG 28 HB3 ARG 28 -9.891 -2.776 2.134 214 HG2 ARG 28 HG2 ARG 28 -11.986 -2.836 1.343 215 HG3 ARG 28 HG3 ARG 28 -11.708 -4.284 0.367 216 HD2 ARG 28 HD2 ARG 28 -11.503 -5.485 2.622 217 HD3 ARG 28 HD3 ARG 28 -12.275 -4.056 3.300 218 HE ARG 28 HE ARG 28 -13.646 -5.306 1.068 219 HH11 ARG 28 HH11 ARG 28 -14.951 -5.555 4.844 220 HH12 ARG 28 HH12 ARG 28 -13.353 -4.970 4.522 221 HH21 ARG 28 HH21 ARG 28 -16.315 -6.184 3.118 222 HH22 ARG 28 HH22 ARG 28 -15.754 -6.079 1.482 223 H SER 29 HN SER 29 -10.596 -5.082 -1.213 224 HA SER 29 HA SER 29 -9.283 -7.549 -0.710 225 HB2 SER 29 HB2 SER 29 -11.104 -6.746 -2.989 226 HB3 SER 29 HB3 SER 29 -10.662 -8.400 -2.571 227 HG SER 29 HG SER 29 -12.363 -6.616 -1.249 228 H SER 30 HN SER 30 -8.362 -4.866 -2.471 229 HA SER 30 HA SER 30 -7.144 -6.052 -4.736 230 HB2 SER 30 HB2 SER 30 -6.268 -3.561 -3.263 231 HB3 SER 30 HB3 SER 30 -5.841 -4.006 -4.914 232 HG SER 30 HG SER 30 -8.183 -3.957 -5.319 233 H SER 31 HN SER 31 -5.535 -7.476 -4.740 234 HA SER 31 HA SER 31 -3.983 -8.068 -2.474 235 HB2 SER 31 HB2 SER 31 -3.373 -8.638 -5.379 236 HB3 SER 31 HB3 SER 31 -2.596 -9.409 -4.000 237 HG SER 31 HG SER 31 -4.602 -10.369 -5.170 238 H VAL 32 HN VAL 32 -1.839 -7.559 -2.003 239 HA VAL 32 HA VAL 32 -1.001 -5.000 -2.184 240 HB VAL 32 HB VAL 32 1.090 -5.668 -1.390 241 HG11 VAL 32 HG11 VAL 32 0.611 -7.103 0.371 242 HG12 VAL 32 HG12 VAL 32 -0.961 -6.435 -0.068 243 HG13 VAL 32 HG13 VAL 32 -0.513 -8.057 -0.595 244 HG21 VAL 32 HG21 VAL 32 0.674 -8.319 -2.748 245 HG22 VAL 32 HG22 VAL 32 1.830 -7.068 -3.202 246 HG23 VAL 32 HG23 VAL 32 2.025 -7.937 -1.680 247 H ALA 33 HN ALA 33 -0.574 -7.505 -4.602 248 HA ALA 33 HA ALA 33 1.423 -6.257 -6.145 249 HB1 ALA 33 HB1 ALA 33 0.761 -7.771 -7.921 250 HB2 ALA 33 HB2 ALA 33 0.807 -8.619 -6.376 251 HB3 ALA 33 HB3 ALA 33 -0.740 -8.139 -7.074 252 H GLN 34 HN GLN 34 -2.099 -5.939 -6.176 253 HA GLN 34 HA GLN 34 -2.125 -4.331 -8.558 254 HB2 GLN 34 HB2 GLN 34 -4.284 -4.833 -6.508 255 HB3 GLN 34 HB3 GLN 34 -4.520 -4.035 -8.056 256 HG2 GLN 34 HG2 GLN 34 -3.630 -6.882 -7.660 257 HG3 GLN 34 HG3 GLN 34 -5.248 -6.356 -8.117 258 HE21 GLN 34 HE21 GLN 34 -3.360 -8.089 -9.522 259 HE22 GLN 34 HE22 GLN 34 -3.110 -7.364 -11.070 260 H VAL 35 HN VAL 35 -2.615 -3.691 -5.093 261 HA VAL 35 HA VAL 35 -3.089 -0.963 -5.311 262 HB VAL 35 HB VAL 35 -1.683 -1.512 -2.884 263 HG11 VAL 35 HG11 VAL 35 -4.623 -1.244 -3.416 264 HG12 VAL 35 HG12 VAL 35 -3.812 -0.960 -1.877 265 HG13 VAL 35 HG13 VAL 35 -3.504 0.112 -3.246 266 HG21 VAL 35 HG21 VAL 35 -2.092 -3.880 -3.277 267 HG22 VAL 35 HG22 VAL 35 -3.065 -3.277 -1.938 268 HG23 VAL 35 HG23 VAL 35 -3.813 -3.538 -3.511 269 H LYS 36 HN LYS 36 -0.098 -2.807 -4.895 270 HA LYS 36 HA LYS 36 1.607 -0.562 -4.791 271 HB2 LYS 36 HB2 LYS 36 1.959 -3.498 -5.177 272 HB3 LYS 36 HB3 LYS 36 3.312 -2.421 -5.419 273 HG2 LYS 36 HG2 LYS 36 2.986 -3.508 -3.125 274 HG3 LYS 36 HG3 LYS 36 3.363 -1.801 -3.212 275 HD2 LYS 36 HD2 LYS 36 1.360 -1.166 -2.414 276 HD3 LYS 36 HD3 LYS 36 0.516 -2.481 -3.223 277 HE2 LYS 36 HE2 LYS 36 1.323 -4.044 -1.536 278 HE3 LYS 36 HE3 LYS 36 2.197 -2.743 -0.736 279 HZ1 LYS 36 HZ1 LYS 36 0.108 -3.176 0.371 280 HZ2 LYS 36 HZ2 LYS 36 -0.749 -2.917 -1.063 281 HZ3 LYS 36 HZ3 LYS 36 0.075 -1.636 -0.330 282 H ALA 37 HN ALA 37 0.201 -2.446 -7.365 283 HA ALA 37 HA ALA 37 1.913 -1.823 -9.470 284 HB1 ALA 37 HB1 ALA 37 -1.099 -2.040 -9.602 285 HB2 ALA 37 HB2 ALA 37 0.024 -2.211 -10.950 286 HB3 ALA 37 HB3 ALA 37 0.019 -3.402 -9.650 287 H MET 38 HN MET 38 -0.834 -0.044 -8.117 288 HA MET 38 HA MET 38 -0.518 2.182 -9.871 289 HB2 MET 38 HB2 MET 38 -2.280 3.187 -8.729 290 HB3 MET 38 HB3 MET 38 -2.608 1.482 -8.497 291 HG2 MET 38 HG2 MET 38 -2.094 1.526 -6.282 292 HG3 MET 38 HG3 MET 38 -1.053 2.930 -6.444 293 HE1 MET 38 HE1 MET 38 -5.645 3.215 -6.726 294 HE2 MET 38 HE2 MET 38 -4.620 2.776 -8.093 295 HE3 MET 38 HE3 MET 38 -4.752 1.694 -6.708 296 H ILE 39 HN ILE 39 0.714 1.276 -6.696 297 HA ILE 39 HA ILE 39 1.800 3.727 -5.913 298 HB ILE 39 HB ILE 39 2.866 0.938 -5.426 299 HG12 ILE 39 HG12 ILE 39 0.678 1.217 -4.463 300 HG13 ILE 39 HG13 ILE 39 1.863 1.282 -3.165 301 HG21 ILE 39 HG21 ILE 39 4.690 2.417 -5.078 302 HG22 ILE 39 HG22 ILE 39 3.673 3.563 -4.204 303 HG23 ILE 39 HG23 ILE 39 4.047 1.994 -3.490 304 HD11 ILE 39 HD11 ILE 39 0.436 3.614 -4.416 305 HD12 ILE 39 HD12 ILE 39 0.184 2.951 -2.801 306 HD13 ILE 39 HD13 ILE 39 1.707 3.744 -3.201 307 H GLU 40 HN GLU 40 2.793 1.435 -8.322 308 HA GLU 40 HA GLU 40 5.411 2.581 -8.731 309 HB2 GLU 40 HB2 GLU 40 5.140 0.240 -9.234 310 HB3 GLU 40 HB3 GLU 40 3.775 0.571 -10.291 311 HG2 GLU 40 HG2 GLU 40 5.269 1.751 -11.834 312 HG3 GLU 40 HG3 GLU 40 6.633 1.376 -10.783 313 H THR 41 HN THR 41 2.195 2.819 -10.080 314 HA THR 41 HA THR 41 2.759 4.261 -12.398 315 HB THR 41 HB THR 41 0.348 4.053 -10.614 316 HG1 THR 41 HG1 THR 41 0.857 2.322 -12.041 317 HG21 THR 41 HG21 THR 41 0.286 6.308 -11.492 318 HG22 THR 41 HG22 THR 41 -0.937 5.311 -12.276 319 HG23 THR 41 HG23 THR 41 0.558 5.702 -13.124 320 H LYS 42 HN LYS 42 2.785 5.188 -9.064 321 HA LYS 42 HA LYS 42 2.936 8.026 -9.776 322 HB2 LYS 42 HB2 LYS 42 2.310 6.569 -7.236 323 HB3 LYS 42 HB3 LYS 42 2.805 8.260 -7.197 324 HG2 LYS 42 HG2 LYS 42 0.588 8.605 -7.350 325 HG3 LYS 42 HG3 LYS 42 0.894 8.361 -9.074 326 HD2 LYS 42 HD2 LYS 42 0.478 5.914 -8.667 327 HD3 LYS 42 HD3 LYS 42 -0.138 6.370 -7.079 328 HE2 LYS 42 HE2 LYS 42 -1.856 6.099 -8.927 329 HE3 LYS 42 HE3 LYS 42 -1.922 7.596 -7.999 330 HZ1 LYS 42 HZ1 LYS 42 -0.759 8.723 -9.775 331 HZ2 LYS 42 HZ2 LYS 42 -2.150 7.978 -10.385 332 HZ3 LYS 42 HZ3 LYS 42 -0.632 7.284 -10.657 333 H THR 43 HN THR 43 4.654 5.589 -7.811 334 HA THR 43 HA THR 43 6.909 7.390 -7.467 335 HB THR 43 HB THR 43 7.877 5.708 -6.038 336 HG1 THR 43 HG1 THR 43 7.476 3.716 -6.653 337 HG21 THR 43 HG21 THR 43 6.142 5.500 -4.337 338 HG22 THR 43 HG22 THR 43 4.903 5.881 -5.532 339 HG23 THR 43 HG23 THR 43 6.092 7.101 -5.075 340 H GLY 44 HN GLY 44 6.234 4.276 -9.029 341 HA2 GLY 44 HA1 GLY 44 7.150 3.649 -11.117 342 HA3 GLY 44 HA2 GLY 44 8.461 4.791 -10.862 343 H ILE 45 HN ILE 45 7.894 2.999 -8.077 344 HA ILE 45 HA ILE 45 10.316 1.456 -8.519 345 HB ILE 45 HB ILE 45 8.586 1.380 -6.053 346 HG12 ILE 45 HG12 ILE 45 9.087 3.725 -6.549 347 HG13 ILE 45 HG13 ILE 45 9.969 3.185 -5.129 348 HG21 ILE 45 HG21 ILE 45 10.293 -0.332 -6.200 349 HG22 ILE 45 HG22 ILE 45 11.522 0.894 -6.509 350 HG23 ILE 45 HG23 ILE 45 10.707 0.839 -4.948 351 HD11 ILE 45 HD11 ILE 45 11.112 3.456 -7.900 352 HD12 ILE 45 HD12 ILE 45 11.331 4.598 -6.574 353 HD13 ILE 45 HD13 ILE 45 11.992 2.968 -6.452 354 H ILE 46 HN ILE 46 10.314 -0.583 -9.220 355 HA ILE 46 HA ILE 46 7.955 -1.962 -9.868 356 HB ILE 46 HB ILE 46 9.734 -3.990 -9.855 357 HG12 ILE 46 HG12 ILE 46 11.406 -1.520 -10.346 358 HG13 ILE 46 HG13 ILE 46 11.470 -2.463 -8.864 359 HG21 ILE 46 HG21 ILE 46 9.529 -1.815 -11.932 360 HG22 ILE 46 HG22 ILE 46 10.134 -3.449 -12.207 361 HG23 ILE 46 HG23 ILE 46 8.446 -3.197 -11.761 362 HD11 ILE 46 HD11 ILE 46 12.122 -3.481 -11.618 363 HD12 ILE 46 HD12 ILE 46 13.291 -3.028 -10.376 364 HD13 ILE 46 HD13 ILE 46 12.219 -4.406 -10.119 365 HA PRO 47 HA PRO 47 6.421 -3.872 -6.201 366 HB2 PRO 47 HB2 PRO 47 6.307 -6.292 -7.955 367 HB3 PRO 47 HB3 PRO 47 5.075 -5.615 -6.897 368 HG2 PRO 47 HG2 PRO 47 4.906 -5.223 -9.492 369 HG3 PRO 47 HG3 PRO 47 4.558 -3.890 -8.372 370 HD2 PRO 47 HD2 PRO 47 6.976 -4.381 -10.041 371 HD3 PRO 47 HD3 PRO 47 6.183 -2.849 -9.628 372 H GLU 48 HN GLU 48 8.530 -6.032 -8.088 373 HA GLU 48 HA GLU 48 9.298 -7.769 -6.092 374 HB2 GLU 48 HB2 GLU 48 11.304 -8.222 -7.449 375 HB3 GLU 48 HB3 GLU 48 9.837 -8.164 -8.416 376 HG2 GLU 48 HG2 GLU 48 10.389 -5.922 -9.160 377 HG3 GLU 48 HG3 GLU 48 11.835 -5.929 -8.152 378 H THR 49 HN THR 49 10.019 -4.471 -6.219 379 HA THR 49 HA THR 49 12.228 -4.825 -4.303 380 HB THR 49 HB THR 49 12.320 -2.188 -5.299 381 HG1 THR 49 HG1 THR 49 11.482 -2.500 -7.236 382 HG21 THR 49 HG21 THR 49 14.245 -3.414 -4.530 383 HG22 THR 49 HG22 THR 49 14.503 -2.947 -6.211 384 HG23 THR 49 HG23 THR 49 14.047 -4.605 -5.816 385 H GLN 50 HN GLN 50 9.116 -3.585 -4.884 386 HA GLN 50 HA GLN 50 9.147 -1.517 -2.900 387 HB2 GLN 50 HB2 GLN 50 6.925 -2.846 -4.415 388 HB3 GLN 50 HB3 GLN 50 6.670 -1.530 -3.295 389 HG2 GLN 50 HG2 GLN 50 8.628 -0.610 -4.983 390 HG3 GLN 50 HG3 GLN 50 7.549 -1.504 -6.042 391 HE21 GLN 50 HE21 GLN 50 5.413 -0.835 -6.266 392 HE22 GLN 50 HE22 GLN 50 4.898 0.749 -5.812 393 H ILE 51 HN ILE 51 9.324 -2.029 -0.837 394 HA ILE 51 HA ILE 51 7.858 -4.342 0.217 395 HB ILE 51 HB ILE 51 9.900 -2.758 1.755 396 HG12 ILE 51 HG12 ILE 51 10.339 -4.977 -0.234 397 HG13 ILE 51 HG13 ILE 51 11.156 -3.425 -0.131 398 HG21 ILE 51 HG21 ILE 51 10.058 -4.756 3.099 399 HG22 ILE 51 HG22 ILE 51 8.365 -4.282 2.958 400 HG23 ILE 51 HG23 ILE 51 8.989 -5.624 1.998 401 HD11 ILE 51 HD11 ILE 51 12.243 -4.153 1.947 402 HD12 ILE 51 HD12 ILE 51 11.462 -5.726 1.786 403 HD13 ILE 51 HD13 ILE 51 12.633 -5.195 0.579 404 H VAL 52 HN VAL 52 5.829 -3.627 0.700 405 HA VAL 52 HA VAL 52 5.532 -1.099 2.105 406 HB VAL 52 HB VAL 52 3.572 -2.964 0.774 407 HG11 VAL 52 HG11 VAL 52 1.822 -1.354 1.387 408 HG12 VAL 52 HG12 VAL 52 2.523 -2.174 2.780 409 HG13 VAL 52 HG13 VAL 52 2.987 -0.515 2.413 410 HG21 VAL 52 HG21 VAL 52 4.451 -0.131 0.247 411 HG22 VAL 52 HG22 VAL 52 4.744 -1.548 -0.759 412 HG23 VAL 52 HG23 VAL 52 3.107 -0.919 -0.578 413 H THR 53 HN THR 53 4.225 -1.033 4.065 414 HA THR 53 HA THR 53 4.033 -3.560 5.522 415 HB THR 53 HB THR 53 5.025 -1.661 7.382 416 HG1 THR 53 HG1 THR 53 6.571 -0.667 6.345 417 HG21 THR 53 HG21 THR 53 7.014 -3.347 7.314 418 HG22 THR 53 HG22 THR 53 5.956 -4.263 6.239 419 HG23 THR 53 HG23 THR 53 5.432 -3.878 7.880 420 H LEU 54 HN LEU 54 2.302 -3.735 6.644 421 HA LEU 54 HA LEU 54 0.568 -1.437 7.050 422 HB2 LEU 54 HB2 LEU 54 0.248 -4.296 6.721 423 HB3 LEU 54 HB3 LEU 54 -0.597 -3.739 8.146 424 HG LEU 54 HG LEU 54 -2.089 -3.771 6.272 425 HD11 LEU 54 HD11 LEU 54 -2.828 -1.410 6.264 426 HD12 LEU 54 HD12 LEU 54 -2.479 -2.017 7.882 427 HD13 LEU 54 HD13 LEU 54 -1.320 -0.969 7.067 428 HD21 LEU 54 HD21 LEU 54 -0.569 -3.601 4.454 429 HD22 LEU 54 HD22 LEU 54 -1.711 -2.262 4.348 430 HD23 LEU 54 HD23 LEU 54 -0.079 -1.982 4.954 431 H ASN 55 HN ASN 55 -0.761 -2.332 9.366 432 HA ASN 55 HA ASN 55 0.818 -1.228 11.380 433 HB2 ASN 55 HB2 ASN 55 -0.919 -2.615 12.857 434 HB3 ASN 55 HB3 ASN 55 -1.393 -1.172 11.966 435 HD21 ASN 55 HD21 ASN 55 -2.449 -1.430 9.944 436 HD22 ASN 55 HD22 ASN 55 -3.346 -2.863 9.595 437 H GLY 56 HN GLY 56 2.810 -2.110 11.637 438 HA2 GLY 56 HA1 GLY 56 4.424 -3.558 12.358 439 HA3 GLY 56 HA2 GLY 56 3.164 -4.284 13.341 440 H LYS 57 HN LYS 57 2.379 -4.418 10.046 441 HA LYS 57 HA LYS 57 3.419 -7.177 9.897 442 HB2 LYS 57 HB2 LYS 57 0.767 -6.045 9.217 443 HB3 LYS 57 HB3 LYS 57 1.389 -7.315 8.179 444 HG2 LYS 57 HG2 LYS 57 -0.096 -8.058 10.065 445 HG3 LYS 57 HG3 LYS 57 1.464 -8.867 9.949 446 HD2 LYS 57 HD2 LYS 57 2.197 -8.004 11.892 447 HD3 LYS 57 HD3 LYS 57 1.401 -6.455 11.631 448 HE2 LYS 57 HE2 LYS 57 -0.723 -7.413 12.251 449 HE3 LYS 57 HE3 LYS 57 0.017 -9.000 12.455 450 HZ1 LYS 57 HZ1 LYS 57 1.361 -8.098 14.250 451 HZ2 LYS 57 HZ2 LYS 57 -0.284 -7.880 14.575 452 HZ3 LYS 57 HZ3 LYS 57 0.653 -6.574 14.050 453 H ARG 58 HN ARG 58 3.953 -7.989 7.806 454 HA ARG 58 HA ARG 58 4.901 -5.895 5.993 455 HB2 ARG 58 HB2 ARG 58 5.687 -8.789 6.302 456 HB3 ARG 58 HB3 ARG 58 6.291 -7.754 5.020 457 HG2 ARG 58 HG2 ARG 58 6.769 -6.309 7.312 458 HG3 ARG 58 HG3 ARG 58 7.113 -7.973 7.785 459 HD2 ARG 58 HD2 ARG 58 8.203 -6.681 5.300 460 HD3 ARG 58 HD3 ARG 58 9.066 -6.703 6.839 461 HE ARG 58 HE ARG 58 8.429 -9.323 6.322 462 HH11 ARG 58 HH11 ARG 58 11.289 -7.915 3.900 463 HH12 ARG 58 HH12 ARG 58 10.210 -6.813 4.690 464 HH21 ARG 58 HH21 ARG 58 11.082 -10.169 4.239 465 HH22 ARG 58 HH22 ARG 58 9.845 -10.781 5.286 466 H LEU 59 HN LEU 59 4.420 -5.913 3.815 467 HA LEU 59 HA LEU 59 1.961 -7.273 3.114 468 HB2 LEU 59 HB2 LEU 59 3.620 -5.125 1.844 469 HB3 LEU 59 HB3 LEU 59 2.362 -5.923 0.933 470 HG LEU 59 HG LEU 59 1.753 -3.745 2.011 471 HD11 LEU 59 HD11 LEU 59 0.186 -6.241 2.562 472 HD12 LEU 59 HD12 LEU 59 -0.445 -4.627 2.895 473 HD13 LEU 59 HD13 LEU 59 -0.022 -5.085 1.246 474 HD21 LEU 59 HD21 LEU 59 2.961 -4.311 4.156 475 HD22 LEU 59 HD22 LEU 59 1.354 -3.610 4.328 476 HD23 LEU 59 HD23 LEU 59 1.585 -5.345 4.539 477 H GLU 60 HN GLU 60 1.951 -9.204 2.286 478 HA GLU 60 HA GLU 60 4.330 -10.183 0.871 479 HB2 GLU 60 HB2 GLU 60 2.033 -11.642 2.175 480 HB3 GLU 60 HB3 GLU 60 3.311 -12.437 1.272 481 HG2 GLU 60 HG2 GLU 60 3.688 -10.780 3.755 482 HG3 GLU 60 HG3 GLU 60 3.688 -12.541 3.680 483 H ASP 61 HN ASP 61 3.945 -11.724 -0.930 484 HA ASP 61 HA ASP 61 2.238 -10.530 -2.890 485 HB2 ASP 61 HB2 ASP 61 3.088 -12.331 -4.373 486 HB3 ASP 61 HB3 ASP 61 4.381 -11.455 -3.562 487 H GLY 62 HN GLY 62 0.386 -11.361 -3.845 488 HA2 GLY 62 HA1 GLY 62 -1.476 -12.720 -4.089 489 HA3 GLY 62 HA2 GLY 62 -0.689 -13.917 -3.068 490 H LYS 63 HN LYS 63 -0.276 -11.544 -1.133 491 HA LYS 63 HA LYS 63 -2.586 -12.072 0.477 492 HB2 LYS 63 HB2 LYS 63 0.004 -10.647 0.756 493 HB3 LYS 63 HB3 LYS 63 -1.301 -10.113 1.792 494 HG2 LYS 63 HG2 LYS 63 0.147 -11.760 2.875 495 HG3 LYS 63 HG3 LYS 63 -1.513 -12.325 2.729 496 HD2 LYS 63 HD2 LYS 63 -0.821 -13.564 0.666 497 HD3 LYS 63 HD3 LYS 63 0.846 -13.115 1.028 498 HE2 LYS 63 HE2 LYS 63 -0.995 -14.771 2.749 499 HE3 LYS 63 HE3 LYS 63 0.407 -15.346 1.846 500 HZ1 LYS 63 HZ1 LYS 63 0.467 -13.430 4.115 501 HZ2 LYS 63 HZ2 LYS 63 1.817 -13.951 3.239 502 HZ3 LYS 63 HZ3 LYS 63 0.940 -15.054 4.174 503 H MET 64 HN MET 64 -4.359 -10.771 0.760 504 HA MET 64 HA MET 64 -4.502 -8.376 -0.891 505 HB2 MET 64 HB2 MET 64 -6.876 -8.896 0.655 506 HB3 MET 64 HB3 MET 64 -6.673 -8.859 -1.086 507 HG2 MET 64 HG2 MET 64 -5.831 -11.200 -0.963 508 HG3 MET 64 HG3 MET 64 -6.264 -11.201 0.743 509 HE1 MET 64 HE1 MET 64 -8.731 -11.021 1.650 510 HE2 MET 64 HE2 MET 64 -8.957 -9.512 0.765 511 HE3 MET 64 HE3 MET 64 -10.146 -10.807 0.620 512 H MET 65 HN MET 65 -5.144 -6.350 -0.029 513 HA MET 65 HA MET 65 -3.888 -5.748 2.434 514 HB2 MET 65 HB2 MET 65 -4.060 -3.628 1.733 515 HB3 MET 65 HB3 MET 65 -4.775 -4.281 0.274 516 HG2 MET 65 HG2 MET 65 -6.876 -3.666 0.843 517 HG3 MET 65 HG3 MET 65 -6.552 -3.678 2.569 518 HE1 MET 65 HE1 MET 65 -7.520 0.087 1.792 519 HE2 MET 65 HE2 MET 65 -8.092 -1.230 0.769 520 HE3 MET 65 HE3 MET 65 -8.051 -1.430 2.520 521 H ALA 66 HN ALA 66 -7.109 -6.641 1.560 522 HA ALA 66 HA ALA 66 -8.431 -5.823 3.929 523 HB1 ALA 66 HB1 ALA 66 -9.169 -8.053 2.035 524 HB2 ALA 66 HB2 ALA 66 -10.234 -7.285 3.211 525 HB3 ALA 66 HB3 ALA 66 -9.621 -6.361 1.839 526 H ASP 67 HN ASP 67 -6.499 -8.564 3.027 527 HA ASP 67 HA ASP 67 -7.254 -10.346 5.067 528 HB2 ASP 67 HB2 ASP 67 -5.939 -11.082 3.147 529 HB3 ASP 67 HB3 ASP 67 -4.598 -10.052 3.643 530 H TYR 68 HN TYR 68 -5.368 -7.456 5.094 531 HA TYR 68 HA TYR 68 -4.103 -8.103 7.643 532 HB2 TYR 68 HB2 TYR 68 -3.968 -5.614 5.926 533 HB3 TYR 68 HB3 TYR 68 -3.020 -5.893 7.386 534 HD1 TYR 68 HD1 TYR 68 -3.553 -7.004 3.905 535 HD2 TYR 68 HD2 TYR 68 -1.071 -7.261 7.350 536 HE1 TYR 68 HE1 TYR 68 -1.811 -8.102 2.558 537 HE2 TYR 68 HE2 TYR 68 0.681 -8.359 6.018 538 HH TYR 68 HH TYR 68 0.856 -9.671 3.937 539 H GLY 69 HN GLY 69 -7.089 -7.406 6.906 540 HA2 GLY 69 HA1 GLY 69 -8.850 -6.325 7.908 541 HA3 GLY 69 HA2 GLY 69 -7.926 -6.547 9.387 542 H ILE 70 HN ILE 70 -7.108 -4.572 6.554 543 HA ILE 70 HA ILE 70 -6.396 -2.374 8.191 544 HB ILE 70 HB ILE 70 -5.936 -1.153 6.206 545 HG12 ILE 70 HG12 ILE 70 -7.636 -1.336 4.659 546 HG13 ILE 70 HG13 ILE 70 -6.427 -2.391 3.947 547 HG21 ILE 70 HG21 ILE 70 -5.253 -4.046 5.764 548 HG22 ILE 70 HG22 ILE 70 -4.433 -2.658 5.050 549 HG23 ILE 70 HG23 ILE 70 -4.379 -2.911 6.793 550 HD11 ILE 70 HD11 ILE 70 -8.718 -3.278 3.837 551 HD12 ILE 70 HD12 ILE 70 -7.585 -4.333 4.689 552 HD13 ILE 70 HD13 ILE 70 -8.734 -3.352 5.603 553 H ARG 71 HN ARG 71 -7.265 -0.121 7.365 554 HA ARG 71 HA ARG 71 -10.201 -0.184 7.564 555 HB2 ARG 71 HB2 ARG 71 -8.415 1.898 8.814 556 HB3 ARG 71 HB3 ARG 71 -10.138 1.680 9.058 557 HG2 ARG 71 HG2 ARG 71 -9.559 -0.581 10.040 558 HG3 ARG 71 HG3 ARG 71 -7.888 -0.026 10.057 559 HD2 ARG 71 HD2 ARG 71 -10.211 1.326 11.427 560 HD3 ARG 71 HD3 ARG 71 -8.980 0.342 12.217 561 HE ARG 71 HE ARG 71 -7.591 2.304 10.899 562 HH11 ARG 71 HH11 ARG 71 -9.609 3.707 14.062 563 HH12 ARG 71 HH12 ARG 71 -10.101 2.222 13.317 564 HH21 ARG 71 HH21 ARG 71 -7.810 4.863 13.243 565 HH22 ARG 71 HH22 ARG 71 -6.937 4.258 11.875 566 H LYS 72 HN LYS 72 -11.246 1.849 6.838 567 HA LYS 72 HA LYS 72 -10.502 2.587 4.275 568 HB2 LYS 72 HB2 LYS 72 -11.948 4.616 5.846 569 HB3 LYS 72 HB3 LYS 72 -12.371 3.854 4.322 570 HG2 LYS 72 HG2 LYS 72 -12.645 1.791 5.969 571 HG3 LYS 72 HG3 LYS 72 -13.076 3.105 7.059 572 HD2 LYS 72 HD2 LYS 72 -14.679 3.891 5.406 573 HD3 LYS 72 HD3 LYS 72 -14.250 2.544 4.360 574 HE2 LYS 72 HE2 LYS 72 -16.278 1.995 5.540 575 HE3 LYS 72 HE3 LYS 72 -14.956 0.983 6.123 576 HZ1 LYS 72 HZ1 LYS 72 -15.993 3.417 7.474 577 HZ2 LYS 72 HZ2 LYS 72 -14.730 2.442 8.036 578 HZ3 LYS 72 HZ3 LYS 72 -16.301 1.821 7.947 579 H GLY 73 HN GLY 73 -8.902 3.855 3.550 580 HA2 GLY 73 HA1 GLY 73 -7.192 5.394 3.529 581 HA3 GLY 73 HA2 GLY 73 -8.091 6.263 4.766 582 H ASN 74 HN ASN 74 -6.575 3.023 4.816 583 HA ASN 74 HA ASN 74 -5.488 3.510 7.406 584 HB2 ASN 74 HB2 ASN 74 -6.183 1.234 6.224 585 HB3 ASN 74 HB3 ASN 74 -4.500 1.258 5.710 586 HD21 ASN 74 HD21 ASN 74 -5.474 2.696 8.711 587 HD22 ASN 74 HD22 ASN 74 -4.772 1.504 9.744 588 H LEU 75 HN LEU 75 -3.174 3.181 7.881 589 HA LEU 75 HA LEU 75 -1.582 4.858 6.122 590 HB2 LEU 75 HB2 LEU 75 -1.175 3.824 8.917 591 HB3 LEU 75 HB3 LEU 75 0.084 4.670 8.043 592 HG LEU 75 HG LEU 75 -2.608 5.798 8.815 593 HD11 LEU 75 HD11 LEU 75 -1.145 5.598 10.715 594 HD12 LEU 75 HD12 LEU 75 0.183 6.333 9.814 595 HD13 LEU 75 HD13 LEU 75 -1.237 7.293 10.232 596 HD21 LEU 75 HD21 LEU 75 -0.302 7.043 7.322 597 HD22 LEU 75 HD22 LEU 75 -1.926 6.741 6.705 598 HD23 LEU 75 HD23 LEU 75 -1.674 7.936 7.978 599 H LEU 76 HN LEU 76 -0.487 3.916 4.544 600 HA LEU 76 HA LEU 76 0.731 1.277 5.021 601 HB2 LEU 76 HB2 LEU 76 0.314 2.546 2.327 602 HB3 LEU 76 HB3 LEU 76 0.656 0.867 2.689 603 HG LEU 76 HG LEU 76 -1.939 2.344 3.069 604 HD11 LEU 76 HD11 LEU 76 -1.115 -0.061 1.452 605 HD12 LEU 76 HD12 LEU 76 -2.773 0.513 1.626 606 HD13 LEU 76 HD13 LEU 76 -1.567 1.530 0.839 607 HD21 LEU 76 HD21 LEU 76 -2.794 0.161 3.954 608 HD22 LEU 76 HD22 LEU 76 -1.118 -0.353 4.120 609 HD23 LEU 76 HD23 LEU 76 -1.711 1.026 5.042 610 H PHE 77 HN PHE 77 2.866 1.275 5.297 611 HA PHE 77 HA PHE 77 4.406 3.639 4.572 612 HB2 PHE 77 HB2 PHE 77 5.343 1.141 6.002 613 HB3 PHE 77 HB3 PHE 77 6.170 2.692 5.933 614 HD1 PHE 77 HD1 PHE 77 4.828 4.722 6.899 615 HD2 PHE 77 HD2 PHE 77 4.035 0.643 7.824 616 HE1 PHE 77 HE1 PHE 77 3.686 5.416 8.967 617 HE2 PHE 77 HE2 PHE 77 2.893 1.331 9.892 618 HZ PHE 77 HZ PHE 77 2.718 3.719 10.465 619 H LEU 78 HN LEU 78 6.027 3.685 3.043 620 HA LEU 78 HA LEU 78 6.235 1.288 1.349 621 HB2 LEU 78 HB2 LEU 78 5.300 3.217 0.194 622 HB3 LEU 78 HB3 LEU 78 6.692 4.185 0.643 623 HG LEU 78 HG LEU 78 8.141 2.744 -0.731 624 HD11 LEU 78 HD11 LEU 78 5.570 1.386 -1.525 625 HD12 LEU 78 HD12 LEU 78 7.154 1.109 -2.249 626 HD13 LEU 78 HD13 LEU 78 6.866 0.675 -0.564 627 HD21 LEU 78 HD21 LEU 78 7.123 4.767 -1.687 628 HD22 LEU 78 HD22 LEU 78 7.370 3.508 -2.897 629 HD23 LEU 78 HD23 LEU 78 5.758 3.801 -2.246 630 H ALA 79 HN ALA 79 8.153 0.413 0.863 631 HA ALA 79 HA ALA 79 10.629 1.764 1.616 632 HB1 ALA 79 HB1 ALA 79 10.013 0.463 3.595 633 HB2 ALA 79 HB2 ALA 79 9.908 -0.994 2.608 634 HB3 ALA 79 HB3 ALA 79 11.461 -0.189 2.830 635 H SER 80 HN SER 80 12.562 0.332 0.878 636 HA SER 80 HA SER 80 11.906 -1.357 -1.398 637 HB2 SER 80 HB2 SER 80 13.496 -0.066 -2.871 638 HB3 SER 80 HB3 SER 80 11.986 0.761 -2.500 639 HG SER 80 HG SER 80 14.098 1.211 -0.759 640 H TYR 81 HN TYR 81 13.574 -2.713 -2.085 641 HA TYR 81 HA TYR 81 15.352 -3.595 -0.098 642 HB2 TYR 81 HB2 TYR 81 14.997 -4.165 -3.010 643 HB3 TYR 81 HB3 TYR 81 16.455 -4.741 -2.213 644 HD1 TYR 81 HD1 TYR 81 12.815 -5.078 -2.442 645 HD2 TYR 81 HD2 TYR 81 16.347 -6.507 -0.553 646 HE1 TYR 81 HE1 TYR 81 11.571 -7.029 -1.608 647 HE2 TYR 81 HE2 TYR 81 15.114 -8.464 0.286 648 HH TYR 81 HH TYR 81 12.795 -9.107 0.780 649 H SER 82 HN SER 82 17.783 -3.916 -0.669 650 HA SER 82 HA SER 82 19.855 -3.004 -0.835 651 HB2 SER 82 HB2 SER 82 19.241 -2.809 -3.226 652 HB3 SER 82 HB3 SER 82 18.580 -1.205 -2.910 653 HG SER 82 HG SER 82 20.734 -1.132 -3.707 654 H ILE 83 HN ILE 83 17.774 -1.832 0.977 655 HA ILE 83 HA ILE 83 19.109 0.756 1.437 656 HB ILE 83 HB ILE 83 16.211 0.094 1.974 657 HG12 ILE 83 HG12 ILE 83 16.664 0.512 -0.396 658 HG13 ILE 83 HG13 ILE 83 15.738 1.836 0.301 659 HG21 ILE 83 HG21 ILE 83 17.775 2.612 2.523 660 HG22 ILE 83 HG22 ILE 83 16.024 2.456 2.661 661 HG23 ILE 83 HG23 ILE 83 17.079 1.518 3.718 662 HD11 ILE 83 HD11 ILE 83 18.699 1.845 -0.240 663 HD12 ILE 83 HD12 ILE 83 17.459 2.657 -1.195 664 HD13 ILE 83 HD13 ILE 83 17.774 3.172 0.461 665 H GLY 84 HN GLY 84 16.947 -1.498 3.175 666 HA2 GLY 84 HA1 GLY 84 18.901 -1.503 5.385 667 HA3 GLY 84 HA2 GLY 84 17.196 -1.217 5.701 668 H GLY 85 HN GLY 85 19.221 -3.410 6.402 669 HA2 GLY 85 HA1 GLY 85 17.973 -5.750 5.199 670 HA3 GLY 85 HA2 GLY 85 19.347 -5.748 6.293 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -31.088 3.598 -8.634 2 H2 GLY 1 H2 GLY 1 -29.710 3.968 -9.541 3 H3 GLY 1 H3 GLY 1 -29.635 3.975 -7.851 4 HA2 GLY 1 HA2 GLY 1 -30.047 1.596 -7.788 5 HA3 GLY 1 HA1 GLY 1 -30.130 1.587 -9.543 6 H ALA 2 HN ALA 2 -27.856 3.578 -7.792 7 HA ALA 2 HA ALA 2 -25.666 2.107 -9.045 8 HB1 ALA 2 HB1 ALA 2 -25.599 4.729 -7.556 9 HB2 ALA 2 HB2 ALA 2 -24.289 4.025 -8.502 10 HB3 ALA 2 HB3 ALA 2 -25.768 4.556 -9.303 11 H MET 3 HN MET 3 -24.450 0.708 -7.956 12 HA MET 3 HA MET 3 -24.224 0.987 -5.040 13 HB2 MET 3 HB2 MET 3 -25.902 -0.751 -5.533 14 HB3 MET 3 HB3 MET 3 -24.718 -1.611 -6.509 15 HG2 MET 3 HG2 MET 3 -24.938 -2.634 -4.331 16 HG3 MET 3 HG3 MET 3 -23.328 -1.947 -4.532 17 HE1 MET 3 HE1 MET 3 -24.519 -2.814 -1.691 18 HE2 MET 3 HE2 MET 3 -22.908 -2.133 -1.927 19 HE3 MET 3 HE3 MET 3 -23.981 -1.454 -0.705 20 H GLY 4 HN GLY 4 -22.153 1.293 -4.584 21 HA2 GLY 4 HA1 GLY 4 -20.143 -0.546 -5.477 22 HA3 GLY 4 HA2 GLY 4 -19.988 1.029 -6.241 23 H ASP 5 HN ASP 5 -18.557 2.290 -5.282 24 HA ASP 5 HA ASP 5 -17.236 3.271 -3.712 25 HB2 ASP 5 HB2 ASP 5 -19.533 2.602 -1.859 26 HB3 ASP 5 HB3 ASP 5 -18.252 3.765 -1.532 27 H GLU 6 HN GLU 6 -17.261 0.260 -4.096 28 HA GLU 6 HA GLU 6 -16.643 -0.983 -1.644 29 HB2 GLU 6 HB2 GLU 6 -15.778 -1.704 -4.449 30 HB3 GLU 6 HB3 GLU 6 -15.608 -2.748 -3.045 31 HG2 GLU 6 HG2 GLU 6 -18.031 -2.789 -2.774 32 HG3 GLU 6 HG3 GLU 6 -18.206 -1.731 -4.174 33 H GLU 7 HN GLU 7 -14.740 0.904 -3.881 34 HA GLU 7 HA GLU 7 -12.176 0.172 -2.950 35 HB2 GLU 7 HB2 GLU 7 -12.988 2.826 -4.142 36 HB3 GLU 7 HB3 GLU 7 -11.374 2.131 -4.112 37 HG2 GLU 7 HG2 GLU 7 -12.182 0.293 -5.551 38 HG3 GLU 7 HG3 GLU 7 -13.749 1.097 -5.643 39 H LEU 8 HN LEU 8 -10.765 1.228 -1.527 40 HA LEU 8 HA LEU 8 -12.019 3.146 0.322 41 HB2 LEU 8 HB2 LEU 8 -10.246 0.821 1.075 42 HB3 LEU 8 HB3 LEU 8 -10.753 2.082 2.177 43 HG LEU 8 HG LEU 8 -12.420 -0.095 0.944 44 HD11 LEU 8 HD11 LEU 8 -11.219 -0.597 3.012 45 HD12 LEU 8 HD12 LEU 8 -11.969 0.801 3.789 46 HD13 LEU 8 HD13 LEU 8 -12.964 -0.563 3.272 47 HD21 LEU 8 HD21 LEU 8 -14.277 1.109 2.328 48 HD22 LEU 8 HD22 LEU 8 -13.288 2.539 2.046 49 HD23 LEU 8 HD23 LEU 8 -13.930 1.627 0.679 50 HA PRO 9 HA PRO 9 -8.359 5.533 -0.406 51 HB2 PRO 9 HB2 PRO 9 -8.649 6.749 2.238 52 HB3 PRO 9 HB3 PRO 9 -8.865 7.481 0.646 53 HG2 PRO 9 HG2 PRO 9 -10.934 7.017 2.327 54 HG3 PRO 9 HG3 PRO 9 -11.102 6.958 0.563 55 HD2 PRO 9 HD2 PRO 9 -10.827 4.703 2.518 56 HD3 PRO 9 HD3 PRO 9 -11.883 4.838 1.096 57 H LEU 10 HN LEU 10 -6.219 6.024 0.559 58 HA LEU 10 HA LEU 10 -5.419 4.480 2.875 59 HB2 LEU 10 HB2 LEU 10 -4.455 3.865 0.096 60 HB3 LEU 10 HB3 LEU 10 -3.508 3.470 1.514 61 HG LEU 10 HG LEU 10 -6.310 2.468 1.076 62 HD11 LEU 10 HD11 LEU 10 -5.419 0.438 0.246 63 HD12 LEU 10 HD12 LEU 10 -4.669 1.736 -0.682 64 HD13 LEU 10 HD13 LEU 10 -3.766 0.939 0.606 65 HD21 LEU 10 HD21 LEU 10 -4.142 1.440 2.896 66 HD22 LEU 10 HD22 LEU 10 -5.424 2.541 3.408 67 HD23 LEU 10 HD23 LEU 10 -5.828 0.925 2.831 68 H PHE 11 HN PHE 11 -3.092 4.768 3.334 69 HA PHE 11 HA PHE 11 -2.149 7.423 2.471 70 HB2 PHE 11 HB2 PHE 11 -2.282 6.207 5.220 71 HB3 PHE 11 HB3 PHE 11 -1.191 7.540 4.860 72 HD1 PHE 11 HD1 PHE 11 -4.301 6.733 6.156 73 HD2 PHE 11 HD2 PHE 11 -2.419 9.543 3.576 74 HE1 PHE 11 HE1 PHE 11 -6.136 8.327 6.556 75 HE2 PHE 11 HE2 PHE 11 -4.242 11.142 3.970 76 HZ PHE 11 HZ PHE 11 -6.115 10.508 5.533 77 H LEU 12 HN LEU 12 -0.389 7.043 1.249 78 HA LEU 12 HA LEU 12 1.434 4.888 2.026 79 HB2 LEU 12 HB2 LEU 12 0.783 6.259 -0.490 80 HB3 LEU 12 HB3 LEU 12 2.491 5.936 -0.262 81 HG LEU 12 HG LEU 12 1.384 4.157 -1.530 82 HD11 LEU 12 HD11 LEU 12 2.322 3.328 1.209 83 HD12 LEU 12 HD12 LEU 12 2.162 2.253 -0.180 84 HD13 LEU 12 HD13 LEU 12 3.326 3.577 -0.219 85 HD21 LEU 12 HD21 LEU 12 -0.842 4.314 -0.576 86 HD22 LEU 12 HD22 LEU 12 -0.220 2.672 -0.415 87 HD23 LEU 12 HD23 LEU 12 -0.233 3.751 0.981 88 H VAL 13 HN VAL 13 2.806 5.522 3.550 89 HA VAL 13 HA VAL 13 3.948 8.214 3.454 90 HB VAL 13 HB VAL 13 4.367 6.153 5.614 91 HG11 VAL 13 HG11 VAL 13 5.945 7.990 5.626 92 HG12 VAL 13 HG12 VAL 13 4.623 9.156 5.578 93 HG13 VAL 13 HG13 VAL 13 4.843 8.131 6.995 94 HG21 VAL 13 HG21 VAL 13 2.557 7.287 6.852 95 HG22 VAL 13 HG22 VAL 13 2.191 8.231 5.406 96 HG23 VAL 13 HG23 VAL 13 1.984 6.479 5.393 97 H GLU 14 HN GLU 14 5.768 8.442 2.314 98 HA GLU 14 HA GLU 14 7.428 6.304 1.542 99 HB2 GLU 14 HB2 GLU 14 7.535 9.257 1.363 100 HB3 GLU 14 HB3 GLU 14 9.066 8.413 1.225 101 HG2 GLU 14 HG2 GLU 14 6.648 7.779 -0.430 102 HG3 GLU 14 HG3 GLU 14 7.923 8.882 -0.934 103 H SER 15 HN SER 15 9.051 5.300 2.511 104 HA SER 15 HA SER 15 9.627 5.702 5.238 105 HB2 SER 15 HB2 SER 15 11.430 4.038 4.899 106 HB3 SER 15 HB3 SER 15 9.898 3.517 4.195 107 HG SER 15 HG SER 15 11.869 3.288 2.863 108 H GLY 16 HN GLY 16 11.596 6.397 2.354 109 HA2 GLY 16 HA1 GLY 16 13.794 7.458 3.703 110 HA3 GLY 16 HA2 GLY 16 13.345 7.857 2.052 111 H ASP 17 HN ASP 17 10.800 9.011 2.687 112 HA ASP 17 HA ASP 17 11.447 11.257 4.436 113 HB2 ASP 17 HB2 ASP 17 10.651 11.541 1.534 114 HB3 ASP 17 HB3 ASP 17 10.632 12.866 2.693 115 H GLU 18 HN GLU 18 9.868 11.004 5.880 116 HA GLU 18 HA GLU 18 7.330 9.944 5.396 117 HB2 GLU 18 HB2 GLU 18 6.731 11.095 7.601 118 HB3 GLU 18 HB3 GLU 18 8.023 9.905 7.628 119 HG2 GLU 18 HG2 GLU 18 8.621 11.806 8.974 120 HG3 GLU 18 HG3 GLU 18 9.674 11.713 7.568 121 H ALA 19 HN ALA 19 8.563 12.953 4.535 122 HA ALA 19 HA ALA 19 6.091 14.425 4.702 123 HB1 ALA 19 HB1 ALA 19 8.674 15.110 3.303 124 HB2 ALA 19 HB2 ALA 19 7.320 16.209 3.572 125 HB3 ALA 19 HB3 ALA 19 8.229 15.575 4.944 126 H LYS 20 HN LYS 20 7.831 12.600 2.258 127 HA LYS 20 HA LYS 20 6.067 13.480 0.154 128 HB2 LYS 20 HB2 LYS 20 8.087 11.268 -0.080 129 HB3 LYS 20 HB3 LYS 20 7.470 12.325 -1.342 130 HG2 LYS 20 HG2 LYS 20 9.378 13.038 0.871 131 HG3 LYS 20 HG3 LYS 20 9.708 12.978 -0.862 132 HD2 LYS 20 HD2 LYS 20 7.997 14.798 -1.141 133 HD3 LYS 20 HD3 LYS 20 7.956 14.935 0.616 134 HE2 LYS 20 HE2 LYS 20 10.355 15.430 0.628 135 HE3 LYS 20 HE3 LYS 20 10.388 15.308 -1.130 136 HZ1 LYS 20 HZ1 LYS 20 8.826 17.289 0.439 137 HZ2 LYS 20 HZ2 LYS 20 8.848 17.170 -1.248 138 HZ3 LYS 20 HZ3 LYS 20 10.254 17.606 -0.412 139 H ARG 21 HN ARG 21 4.207 12.595 1.494 140 HA ARG 21 HA ARG 21 3.850 9.713 1.062 141 HB2 ARG 21 HB2 ARG 21 1.954 9.908 2.639 142 HB3 ARG 21 HB3 ARG 21 3.471 10.409 3.345 143 HG2 ARG 21 HG2 ARG 21 2.107 12.064 4.093 144 HG3 ARG 21 HG3 ARG 21 2.695 12.784 2.590 145 HD2 ARG 21 HD2 ARG 21 0.686 11.650 1.511 146 HD3 ARG 21 HD3 ARG 21 0.065 11.481 3.149 147 HE ARG 21 HE ARG 21 0.724 14.126 2.930 148 HH11 ARG 21 HH11 ARG 21 -2.457 13.180 0.687 149 HH12 ARG 21 HH12 ARG 21 -1.340 11.943 1.161 150 HH21 ARG 21 HH21 ARG 21 -2.116 15.347 1.337 151 HH22 ARG 21 HH22 ARG 21 -0.741 15.758 2.308 152 H HIS 22 HN HIS 22 1.655 9.007 0.327 153 HA HIS 22 HA HIS 22 0.270 10.993 -1.317 154 HB2 HIS 22 HB2 HIS 22 0.768 8.393 -2.655 155 HB3 HIS 22 HB3 HIS 22 0.676 10.014 -3.339 156 HD2 HIS 22 HD2 HIS 22 3.237 7.419 -2.936 157 HE1 HIS 22 HE1 HIS 22 5.323 11.055 -2.365 158 H LEU 23 HN LEU 23 -1.865 10.804 -1.151 159 HA LEU 23 HA LEU 23 -3.020 8.492 0.171 160 HB2 LEU 23 HB2 LEU 23 -3.642 10.994 0.505 161 HB3 LEU 23 HB3 LEU 23 -4.560 10.804 -0.972 162 HG LEU 23 HG LEU 23 -5.003 9.285 1.603 163 HD11 LEU 23 HD11 LEU 23 -5.720 11.623 1.675 164 HD12 LEU 23 HD12 LEU 23 -6.677 11.370 0.215 165 HD13 LEU 23 HD13 LEU 23 -7.094 10.518 1.701 166 HD21 LEU 23 HD21 LEU 23 -7.054 8.457 0.458 167 HD22 LEU 23 HD22 LEU 23 -6.427 9.122 -1.051 168 HD23 LEU 23 HD23 LEU 23 -5.553 7.832 -0.223 169 H LEU 24 HN LEU 24 -3.883 6.800 -0.900 170 HA LEU 24 HA LEU 24 -4.745 7.230 -3.678 171 HB2 LEU 24 HB2 LEU 24 -3.289 4.777 -2.735 172 HB3 LEU 24 HB3 LEU 24 -3.727 5.189 -4.377 173 HG LEU 24 HG LEU 24 -1.762 6.762 -2.716 174 HD11 LEU 24 HD11 LEU 24 -0.911 4.518 -3.129 175 HD12 LEU 24 HD12 LEU 24 -1.256 4.692 -4.850 176 HD13 LEU 24 HD13 LEU 24 -0.034 5.709 -4.088 177 HD21 LEU 24 HD21 LEU 24 -1.175 7.794 -4.832 178 HD22 LEU 24 HD22 LEU 24 -2.367 6.801 -5.668 179 HD23 LEU 24 HD23 LEU 24 -2.893 8.012 -4.502 180 H GLN 25 HN GLN 25 -6.574 6.278 -4.288 181 HA GLN 25 HA GLN 25 -8.100 4.832 -2.271 182 HB2 GLN 25 HB2 GLN 25 -10.060 5.364 -3.635 183 HB3 GLN 25 HB3 GLN 25 -9.161 6.806 -3.217 184 HG2 GLN 25 HG2 GLN 25 -9.306 5.426 -5.868 185 HG3 GLN 25 HG3 GLN 25 -9.840 7.043 -5.451 186 HE21 GLN 25 HE21 GLN 25 -7.145 5.050 -6.281 187 HE22 GLN 25 HE22 GLN 25 -5.998 6.318 -6.491 188 H VAL 26 HN VAL 26 -7.994 2.723 -2.361 189 HA VAL 26 HA VAL 26 -8.462 1.349 -4.868 190 HB VAL 26 HB VAL 26 -6.120 1.393 -5.027 191 HG11 VAL 26 HG11 VAL 26 -4.633 0.747 -3.133 192 HG12 VAL 26 HG12 VAL 26 -5.521 2.256 -2.901 193 HG13 VAL 26 HG13 VAL 26 -6.052 0.784 -2.086 194 HG21 VAL 26 HG21 VAL 26 -7.056 -0.838 -5.359 195 HG22 VAL 26 HG22 VAL 26 -5.413 -0.910 -4.722 196 HG23 VAL 26 HG23 VAL 26 -6.786 -1.203 -3.654 197 H ARG 27 HN ARG 27 -9.295 -0.747 -4.592 198 HA ARG 27 HA ARG 27 -10.885 -1.158 -2.352 199 HB2 ARG 27 HB2 ARG 27 -9.883 -3.425 -4.063 200 HB3 ARG 27 HB3 ARG 27 -11.417 -3.296 -3.218 201 HG2 ARG 27 HG2 ARG 27 -12.256 -1.757 -4.766 202 HG3 ARG 27 HG3 ARG 27 -10.651 -1.458 -5.433 203 HD2 ARG 27 HD2 ARG 27 -11.959 -2.866 -6.926 204 HD3 ARG 27 HD3 ARG 27 -10.570 -3.738 -6.291 205 HE ARG 27 HE ARG 27 -12.892 -4.175 -4.708 206 HH11 ARG 27 HH11 ARG 27 -12.096 -6.659 -7.747 207 HH12 ARG 27 HH12 ARG 27 -11.334 -5.104 -7.684 208 HH21 ARG 27 HH21 ARG 27 -13.550 -7.294 -6.097 209 HH22 ARG 27 HH22 ARG 27 -13.894 -6.222 -4.780 210 H ARG 28 HN ARG 28 -10.762 -2.528 -0.610 211 HA ARG 28 HA ARG 28 -8.174 -2.826 0.513 212 HB2 ARG 28 HB2 ARG 28 -9.297 -3.790 2.427 213 HB3 ARG 28 HB3 ARG 28 -10.134 -2.336 1.902 214 HG2 ARG 28 HG2 ARG 28 -11.951 -3.499 1.146 215 HG3 ARG 28 HG3 ARG 28 -11.028 -4.980 0.894 216 HD2 ARG 28 HD2 ARG 28 -12.514 -5.218 2.799 217 HD3 ARG 28 HD3 ARG 28 -10.817 -5.281 3.279 218 HE ARG 28 HE ARG 28 -11.644 -2.645 3.548 219 HH11 ARG 28 HH11 ARG 28 -12.877 -5.092 6.468 220 HH12 ARG 28 HH12 ARG 28 -12.408 -5.749 4.935 221 HH21 ARG 28 HH21 ARG 28 -12.794 -2.831 6.823 222 HH22 ARG 28 HH22 ARG 28 -12.260 -1.772 5.561 223 H SER 29 HN SER 29 -10.514 -4.922 -0.996 224 HA SER 29 HA SER 29 -9.197 -7.374 -0.421 225 HB2 SER 29 HB2 SER 29 -11.575 -7.270 -1.053 226 HB3 SER 29 HB3 SER 29 -11.118 -6.656 -2.643 227 HG SER 29 HG SER 29 -11.486 -8.899 -2.709 228 H SER 30 HN SER 30 -8.308 -4.782 -2.300 229 HA SER 30 HA SER 30 -7.256 -6.090 -4.595 230 HB2 SER 30 HB2 SER 30 -6.306 -3.530 -3.297 231 HB3 SER 30 HB3 SER 30 -5.930 -4.066 -4.933 232 HG SER 30 HG SER 30 -7.763 -3.277 -5.563 233 H SER 31 HN SER 31 -5.532 -7.362 -4.784 234 HA SER 31 HA SER 31 -3.928 -7.959 -2.513 235 HB2 SER 31 HB2 SER 31 -2.718 -9.467 -3.966 236 HB3 SER 31 HB3 SER 31 -4.442 -9.621 -4.287 237 HG SER 31 HG SER 31 -4.052 -8.088 -6.053 238 H VAL 32 HN VAL 32 -1.802 -7.480 -2.129 239 HA VAL 32 HA VAL 32 -0.850 -4.981 -2.537 240 HB VAL 32 HB VAL 32 1.224 -5.686 -1.722 241 HG11 VAL 32 HG11 VAL 32 -0.762 -6.128 -0.250 242 HG12 VAL 32 HG12 VAL 32 -0.614 -7.825 -0.703 243 HG13 VAL 32 HG13 VAL 32 0.704 -7.023 0.153 244 HG21 VAL 32 HG21 VAL 32 1.851 -7.305 -3.386 245 HG22 VAL 32 HG22 VAL 32 2.002 -8.038 -1.789 246 HG23 VAL 32 HG23 VAL 32 0.617 -8.427 -2.810 247 H ALA 33 HN ALA 33 -0.602 -7.704 -4.734 248 HA ALA 33 HA ALA 33 1.441 -6.734 -6.399 249 HB1 ALA 33 HB1 ALA 33 -0.882 -8.490 -7.172 250 HB2 ALA 33 HB2 ALA 33 0.644 -8.321 -8.041 251 HB3 ALA 33 HB3 ALA 33 0.619 -9.050 -6.436 252 H GLN 34 HN GLN 34 -2.085 -6.280 -6.562 253 HA GLN 34 HA GLN 34 -1.925 -4.740 -8.996 254 HB2 GLN 34 HB2 GLN 34 -4.259 -5.021 -7.099 255 HB3 GLN 34 HB3 GLN 34 -4.316 -4.479 -8.768 256 HG2 GLN 34 HG2 GLN 34 -3.595 -6.705 -9.502 257 HG3 GLN 34 HG3 GLN 34 -3.586 -7.241 -7.823 258 HE21 GLN 34 HE21 GLN 34 -5.972 -5.042 -9.104 259 HE22 GLN 34 HE22 GLN 34 -7.308 -6.136 -9.030 260 H VAL 35 HN VAL 35 -2.423 -4.174 -5.578 261 HA VAL 35 HA VAL 35 -2.951 -1.434 -5.662 262 HB VAL 35 HB VAL 35 -1.578 -3.043 -3.501 263 HG11 VAL 35 HG11 VAL 35 -2.186 -1.270 -2.002 264 HG12 VAL 35 HG12 VAL 35 -1.214 -0.621 -3.325 265 HG13 VAL 35 HG13 VAL 35 -2.964 -0.383 -3.315 266 HG21 VAL 35 HG21 VAL 35 -4.480 -2.279 -3.838 267 HG22 VAL 35 HG22 VAL 35 -3.803 -3.891 -4.062 268 HG23 VAL 35 HG23 VAL 35 -3.791 -3.143 -2.465 269 H LYS 36 HN LYS 36 0.097 -3.223 -5.405 270 HA LYS 36 HA LYS 36 1.750 -0.926 -5.266 271 HB2 LYS 36 HB2 LYS 36 2.122 -3.817 -5.588 272 HB3 LYS 36 HB3 LYS 36 3.439 -2.815 -6.127 273 HG2 LYS 36 HG2 LYS 36 3.632 -3.655 -3.832 274 HG3 LYS 36 HG3 LYS 36 3.619 -1.907 -3.950 275 HD2 LYS 36 HD2 LYS 36 1.100 -2.127 -3.559 276 HD3 LYS 36 HD3 LYS 36 1.488 -3.741 -3.011 277 HE2 LYS 36 HE2 LYS 36 3.012 -2.818 -1.336 278 HE3 LYS 36 HE3 LYS 36 2.609 -1.189 -1.880 279 HZ1 LYS 36 HZ1 LYS 36 1.359 -1.788 0.092 280 HZ2 LYS 36 HZ2 LYS 36 0.709 -3.139 -0.691 281 HZ3 LYS 36 HZ3 LYS 36 0.313 -1.584 -1.223 282 H ALA 37 HN ALA 37 0.305 -2.760 -7.841 283 HA ALA 37 HA ALA 37 1.937 -2.018 -9.977 284 HB1 ALA 37 HB1 ALA 37 0.054 -2.423 -11.421 285 HB2 ALA 37 HB2 ALA 37 0.021 -3.615 -10.125 286 HB3 ALA 37 HB3 ALA 37 -1.075 -2.235 -10.080 287 H MET 38 HN MET 38 -0.763 -0.345 -8.417 288 HA MET 38 HA MET 38 -0.517 1.973 -10.070 289 HB2 MET 38 HB2 MET 38 -2.267 2.898 -8.860 290 HB3 MET 38 HB3 MET 38 -2.571 1.183 -8.683 291 HG2 MET 38 HG2 MET 38 -2.079 1.162 -6.477 292 HG3 MET 38 HG3 MET 38 -0.963 2.513 -6.603 293 HE1 MET 38 HE1 MET 38 -5.543 3.024 -6.753 294 HE2 MET 38 HE2 MET 38 -4.583 2.416 -8.102 295 HE3 MET 38 HE3 MET 38 -4.746 1.454 -6.634 296 H ILE 39 HN ILE 39 0.795 0.923 -6.958 297 HA ILE 39 HA ILE 39 1.851 3.354 -6.080 298 HB ILE 39 HB ILE 39 2.995 0.574 -5.743 299 HG12 ILE 39 HG12 ILE 39 0.793 0.771 -4.760 300 HG13 ILE 39 HG13 ILE 39 1.997 0.749 -3.476 301 HG21 ILE 39 HG21 ILE 39 4.779 2.081 -5.335 302 HG22 ILE 39 HG22 ILE 39 3.738 3.170 -4.415 303 HG23 ILE 39 HG23 ILE 39 4.154 1.585 -3.761 304 HD11 ILE 39 HD11 ILE 39 0.254 2.376 -3.031 305 HD12 ILE 39 HD12 ILE 39 1.814 3.168 -3.261 306 HD13 ILE 39 HD13 ILE 39 0.614 3.192 -4.554 307 H GLU 40 HN GLU 40 2.891 1.190 -8.601 308 HA GLU 40 HA GLU 40 5.483 2.412 -8.931 309 HB2 GLU 40 HB2 GLU 40 5.189 0.070 -9.542 310 HB3 GLU 40 HB3 GLU 40 3.912 0.497 -10.674 311 HG2 GLU 40 HG2 GLU 40 5.524 1.725 -12.034 312 HG3 GLU 40 HG3 GLU 40 6.803 1.300 -10.899 313 H THR 41 HN THR 41 2.289 2.586 -10.337 314 HA THR 41 HA THR 41 2.795 4.174 -12.552 315 HB THR 41 HB THR 41 0.320 4.514 -10.887 316 HG1 THR 41 HG1 THR 41 -0.374 2.553 -12.119 317 HG21 THR 41 HG21 THR 41 0.830 4.313 -13.844 318 HG22 THR 41 HG22 THR 41 0.534 5.800 -12.946 319 HG23 THR 41 HG23 THR 41 -0.738 4.587 -13.089 320 H LYS 42 HN LYS 42 2.769 4.977 -9.175 321 HA LYS 42 HA LYS 42 2.840 7.839 -9.808 322 HB2 LYS 42 HB2 LYS 42 2.207 6.312 -7.305 323 HB3 LYS 42 HB3 LYS 42 2.611 8.026 -7.243 324 HG2 LYS 42 HG2 LYS 42 0.377 8.247 -7.451 325 HG3 LYS 42 HG3 LYS 42 0.751 8.054 -9.168 326 HD2 LYS 42 HD2 LYS 42 0.476 5.568 -8.778 327 HD3 LYS 42 HD3 LYS 42 -0.279 5.999 -7.245 328 HE2 LYS 42 HE2 LYS 42 -1.969 7.291 -8.404 329 HE3 LYS 42 HE3 LYS 42 -1.188 6.973 -9.952 330 HZ1 LYS 42 HZ1 LYS 42 -1.675 4.637 -9.703 331 HZ2 LYS 42 HZ2 LYS 42 -3.105 5.530 -9.562 332 HZ3 LYS 42 HZ3 LYS 42 -2.362 4.899 -8.179 333 H THR 43 HN THR 43 4.596 5.418 -7.844 334 HA THR 43 HA THR 43 6.773 7.299 -7.424 335 HB THR 43 HB THR 43 7.793 5.601 -6.024 336 HG1 THR 43 HG1 THR 43 6.844 3.552 -5.821 337 HG21 THR 43 HG21 THR 43 5.835 5.193 -4.426 338 HG22 THR 43 HG22 THR 43 4.852 6.066 -5.603 339 HG23 THR 43 HG23 THR 43 6.217 6.869 -4.824 340 H GLY 44 HN GLY 44 6.239 4.212 -9.093 341 HA2 GLY 44 HA1 GLY 44 7.241 3.681 -11.173 342 HA3 GLY 44 HA2 GLY 44 8.509 4.848 -10.834 343 H ILE 45 HN ILE 45 7.895 2.938 -8.136 344 HA ILE 45 HA ILE 45 10.379 1.488 -8.545 345 HB ILE 45 HB ILE 45 8.593 1.265 -6.133 346 HG12 ILE 45 HG12 ILE 45 8.943 3.642 -6.513 347 HG13 ILE 45 HG13 ILE 45 9.886 3.116 -5.128 348 HG21 ILE 45 HG21 ILE 45 10.713 0.819 -4.985 349 HG22 ILE 45 HG22 ILE 45 10.404 -0.337 -6.281 350 HG23 ILE 45 HG23 ILE 45 11.565 0.969 -6.522 351 HD11 ILE 45 HD11 ILE 45 10.927 3.619 -7.907 352 HD12 ILE 45 HD12 ILE 45 11.154 4.652 -6.495 353 HD13 ILE 45 HD13 ILE 45 11.887 3.050 -6.541 354 H ILE 46 HN ILE 46 10.505 -0.571 -9.186 355 HA ILE 46 HA ILE 46 8.195 -2.010 -9.954 356 HB ILE 46 HB ILE 46 9.964 -3.964 -10.077 357 HG12 ILE 46 HG12 ILE 46 11.701 -1.484 -9.975 358 HG13 ILE 46 HG13 ILE 46 11.688 -2.778 -8.783 359 HG21 ILE 46 HG21 ILE 46 10.592 -3.165 -12.304 360 HG22 ILE 46 HG22 ILE 46 8.878 -2.909 -11.976 361 HG23 ILE 46 HG23 ILE 46 10.005 -1.554 -11.888 362 HD11 ILE 46 HD11 ILE 46 12.478 -4.341 -10.496 363 HD12 ILE 46 HD12 ILE 46 12.528 -3.019 -11.660 364 HD13 ILE 46 HD13 ILE 46 13.589 -2.993 -10.252 365 HA PRO 47 HA PRO 47 6.717 -4.094 -6.360 366 HB2 PRO 47 HB2 PRO 47 6.817 -6.478 -8.167 367 HB3 PRO 47 HB3 PRO 47 5.523 -5.925 -7.111 368 HG2 PRO 47 HG2 PRO 47 5.357 -5.479 -9.698 369 HG3 PRO 47 HG3 PRO 47 4.895 -4.206 -8.550 370 HD2 PRO 47 HD2 PRO 47 7.358 -4.466 -10.202 371 HD3 PRO 47 HD3 PRO 47 6.454 -3.008 -9.746 372 H GLU 48 HN GLU 48 9.038 -6.017 -8.248 373 HA GLU 48 HA GLU 48 9.891 -7.776 -6.314 374 HB2 GLU 48 HB2 GLU 48 11.990 -7.967 -7.600 375 HB3 GLU 48 HB3 GLU 48 10.558 -8.008 -8.619 376 HG2 GLU 48 HG2 GLU 48 10.909 -5.715 -9.276 377 HG3 GLU 48 HG3 GLU 48 12.279 -5.580 -8.173 378 H THR 49 HN THR 49 10.359 -4.417 -6.261 379 HA THR 49 HA THR 49 12.482 -4.701 -4.237 380 HB THR 49 HB THR 49 12.711 -2.113 -4.880 381 HG1 THR 49 HG1 THR 49 11.313 -1.987 -6.559 382 HG21 THR 49 HG21 THR 49 14.626 -2.712 -6.264 383 HG22 THR 49 HG22 THR 49 14.006 -4.356 -6.428 384 HG23 THR 49 HG23 THR 49 14.525 -3.761 -4.850 385 H GLN 50 HN GLN 50 9.375 -3.480 -5.060 386 HA GLN 50 HA GLN 50 9.090 -1.550 -3.012 387 HB2 GLN 50 HB2 GLN 50 7.058 -3.094 -4.603 388 HB3 GLN 50 HB3 GLN 50 6.652 -1.780 -3.519 389 HG2 GLN 50 HG2 GLN 50 8.619 -0.768 -5.175 390 HG3 GLN 50 HG3 GLN 50 7.595 -1.725 -6.235 391 HE21 GLN 50 HE21 GLN 50 5.453 -1.143 -6.529 392 HE22 GLN 50 HE22 GLN 50 4.852 0.414 -6.087 393 H ILE 51 HN ILE 51 9.018 -1.908 -0.929 394 HA ILE 51 HA ILE 51 7.683 -4.328 0.083 395 HB ILE 51 HB ILE 51 9.951 -2.923 1.483 396 HG12 ILE 51 HG12 ILE 51 9.993 -4.897 -0.708 397 HG13 ILE 51 HG13 ILE 51 11.225 -3.754 -0.201 398 HG21 ILE 51 HG21 ILE 51 8.396 -4.233 2.867 399 HG22 ILE 51 HG22 ILE 51 8.748 -5.659 1.891 400 HG23 ILE 51 HG23 ILE 51 10.022 -4.915 2.859 401 HD11 ILE 51 HD11 ILE 51 11.831 -5.265 1.647 402 HD12 ILE 51 HD12 ILE 51 10.645 -6.430 1.053 403 HD13 ILE 51 HD13 ILE 51 12.038 -6.001 0.059 404 H VAL 52 HN VAL 52 5.721 -3.452 0.634 405 HA VAL 52 HA VAL 52 5.701 -1.009 2.214 406 HB VAL 52 HB VAL 52 3.628 -2.501 0.647 407 HG11 VAL 52 HG11 VAL 52 1.879 -1.081 1.563 408 HG12 VAL 52 HG12 VAL 52 2.594 -2.105 2.806 409 HG13 VAL 52 HG13 VAL 52 3.029 -0.400 2.716 410 HG21 VAL 52 HG21 VAL 52 4.526 0.375 0.767 411 HG22 VAL 52 HG22 VAL 52 4.899 -0.797 -0.496 412 HG23 VAL 52 HG23 VAL 52 3.241 -0.237 -0.275 413 H THR 53 HN THR 53 4.286 -0.960 4.139 414 HA THR 53 HA THR 53 3.958 -3.528 5.489 415 HB THR 53 HB THR 53 5.019 -1.758 7.439 416 HG1 THR 53 HG1 THR 53 6.492 -0.715 6.345 417 HG21 THR 53 HG21 THR 53 6.934 -3.563 7.287 418 HG22 THR 53 HG22 THR 53 5.764 -4.388 6.256 419 HG23 THR 53 HG23 THR 53 5.339 -3.970 7.920 420 H LEU 54 HN LEU 54 2.189 -3.644 6.561 421 HA LEU 54 HA LEU 54 0.592 -1.265 7.033 422 HB2 LEU 54 HB2 LEU 54 0.111 -4.057 6.529 423 HB3 LEU 54 HB3 LEU 54 -0.696 -3.579 8.002 424 HG LEU 54 HG LEU 54 -2.195 -3.387 6.141 425 HD11 LEU 54 HD11 LEU 54 -1.322 -0.664 7.087 426 HD12 LEU 54 HD12 LEU 54 -2.892 -1.064 6.387 427 HD13 LEU 54 HD13 LEU 54 -2.420 -1.748 7.942 428 HD21 LEU 54 HD21 LEU 54 -0.078 -1.631 4.964 429 HD22 LEU 54 HD22 LEU 54 -0.746 -3.125 4.308 430 HD23 LEU 54 HD23 LEU 54 -1.742 -1.672 4.380 431 H ASN 55 HN ASN 55 -0.836 -2.189 9.296 432 HA ASN 55 HA ASN 55 0.724 -1.212 11.379 433 HB2 ASN 55 HB2 ASN 55 -1.055 -2.592 12.787 434 HB3 ASN 55 HB3 ASN 55 -1.507 -1.137 11.902 435 HD21 ASN 55 HD21 ASN 55 -2.588 -1.349 9.912 436 HD22 ASN 55 HD22 ASN 55 -3.462 -2.785 9.512 437 H GLY 56 HN GLY 56 2.696 -2.137 11.651 438 HA2 GLY 56 HA1 GLY 56 4.267 -3.623 12.389 439 HA3 GLY 56 HA2 GLY 56 2.972 -4.345 13.328 440 H LYS 57 HN LYS 57 2.221 -4.437 10.045 441 HA LYS 57 HA LYS 57 3.302 -7.175 9.836 442 HB2 LYS 57 HB2 LYS 57 0.610 -6.091 9.213 443 HB3 LYS 57 HB3 LYS 57 1.245 -7.345 8.162 444 HG2 LYS 57 HG2 LYS 57 -0.184 -8.160 10.036 445 HG3 LYS 57 HG3 LYS 57 1.419 -8.885 9.955 446 HD2 LYS 57 HD2 LYS 57 2.056 -7.989 11.919 447 HD3 LYS 57 HD3 LYS 57 1.225 -6.466 11.610 448 HE2 LYS 57 HE2 LYS 57 -0.891 -7.491 12.166 449 HE3 LYS 57 HE3 LYS 57 -0.096 -9.039 12.448 450 HZ1 LYS 57 HZ1 LYS 57 1.160 -8.002 14.251 451 HZ2 LYS 57 HZ2 LYS 57 -0.505 -7.900 14.526 452 HZ3 LYS 57 HZ3 LYS 57 0.347 -6.540 13.994 453 H ARG 58 HN ARG 58 3.758 -7.906 7.615 454 HA ARG 58 HA ARG 58 4.546 -5.637 5.935 455 HB2 ARG 58 HB2 ARG 58 6.423 -6.741 5.255 456 HB3 ARG 58 HB3 ARG 58 6.249 -7.367 6.878 457 HG2 ARG 58 HG2 ARG 58 5.860 -9.450 6.183 458 HG3 ARG 58 HG3 ARG 58 4.872 -8.902 4.831 459 HD2 ARG 58 HD2 ARG 58 7.031 -8.127 3.756 460 HD3 ARG 58 HD3 ARG 58 7.863 -9.062 4.996 461 HE ARG 58 HE ARG 58 6.215 -10.895 3.969 462 HH11 ARG 58 HH11 ARG 58 8.627 -9.587 1.052 463 HH12 ARG 58 HH12 ARG 58 8.332 -8.590 2.438 464 HH21 ARG 58 HH21 ARG 58 7.636 -11.644 0.884 465 HH22 ARG 58 HH22 ARG 58 6.591 -12.212 2.143 466 H LEU 59 HN LEU 59 4.229 -5.674 3.742 467 HA LEU 59 HA LEU 59 1.815 -7.046 2.948 468 HB2 LEU 59 HB2 LEU 59 3.529 -4.910 1.735 469 HB3 LEU 59 HB3 LEU 59 2.311 -5.707 0.775 470 HG LEU 59 HG LEU 59 1.632 -3.541 1.792 471 HD11 LEU 59 HD11 LEU 59 -0.548 -4.509 2.771 472 HD12 LEU 59 HD12 LEU 59 -0.164 -4.826 1.078 473 HD13 LEU 59 HD13 LEU 59 0.121 -6.070 2.295 474 HD21 LEU 59 HD21 LEU 59 2.789 -3.878 3.939 475 HD22 LEU 59 HD22 LEU 59 1.091 -3.449 4.134 476 HD23 LEU 59 HD23 LEU 59 1.606 -5.121 4.348 477 H GLU 60 HN GLU 60 1.813 -8.981 2.133 478 HA GLU 60 HA GLU 60 4.237 -9.994 0.813 479 HB2 GLU 60 HB2 GLU 60 1.873 -11.517 1.918 480 HB3 GLU 60 HB3 GLU 60 3.342 -12.225 1.264 481 HG2 GLU 60 HG2 GLU 60 4.639 -11.199 3.060 482 HG3 GLU 60 HG3 GLU 60 3.164 -10.489 3.716 483 H ASP 61 HN ASP 61 4.150 -11.068 -1.162 484 HA ASP 61 HA ASP 61 2.391 -10.040 -3.086 485 HB2 ASP 61 HB2 ASP 61 4.602 -10.874 -3.687 486 HB3 ASP 61 HB3 ASP 61 4.147 -12.503 -3.195 487 H GLY 62 HN GLY 62 0.533 -10.797 -4.005 488 HA2 GLY 62 HA1 GLY 62 -1.228 -12.267 -4.422 489 HA3 GLY 62 HA2 GLY 62 -0.448 -13.455 -3.387 490 H LYS 63 HN LYS 63 -0.143 -11.573 -1.172 491 HA LYS 63 HA LYS 63 -2.592 -12.056 0.166 492 HB2 LYS 63 HB2 LYS 63 -0.014 -11.348 0.916 493 HB3 LYS 63 HB3 LYS 63 -0.955 -9.919 1.292 494 HG2 LYS 63 HG2 LYS 63 -0.670 -11.534 3.169 495 HG3 LYS 63 HG3 LYS 63 -2.330 -11.102 2.793 496 HD2 LYS 63 HD2 LYS 63 -2.681 -13.181 1.652 497 HD3 LYS 63 HD3 LYS 63 -0.971 -13.582 1.789 498 HE2 LYS 63 HE2 LYS 63 -1.209 -13.612 4.248 499 HE3 LYS 63 HE3 LYS 63 -2.935 -13.307 4.057 500 HZ1 LYS 63 HZ1 LYS 63 -2.514 -15.648 4.385 501 HZ2 LYS 63 HZ2 LYS 63 -1.466 -15.686 3.058 502 HZ3 LYS 63 HZ3 LYS 63 -3.115 -15.390 2.825 503 H MET 64 HN MET 64 -4.225 -10.619 0.779 504 HA MET 64 HA MET 64 -4.392 -8.206 -0.859 505 HB2 MET 64 HB2 MET 64 -6.726 -8.820 0.765 506 HB3 MET 64 HB3 MET 64 -6.601 -8.528 -0.954 507 HG2 MET 64 HG2 MET 64 -7.408 -10.677 -0.873 508 HG3 MET 64 HG3 MET 64 -5.677 -10.909 -1.084 509 HE1 MET 64 HE1 MET 64 -8.719 -11.135 1.344 510 HE2 MET 64 HE2 MET 64 -7.944 -11.496 2.887 511 HE3 MET 64 HE3 MET 64 -7.730 -9.911 2.141 512 H MET 65 HN MET 65 -5.020 -6.225 0.070 513 HA MET 65 HA MET 65 -3.753 -5.684 2.538 514 HB2 MET 65 HB2 MET 65 -3.924 -3.555 1.858 515 HB3 MET 65 HB3 MET 65 -4.668 -4.181 0.401 516 HG2 MET 65 HG2 MET 65 -6.739 -3.532 0.994 517 HG3 MET 65 HG3 MET 65 -6.426 -3.651 2.719 518 HE1 MET 65 HE1 MET 65 -7.866 -1.080 0.921 519 HE2 MET 65 HE2 MET 65 -7.949 -1.381 2.657 520 HE3 MET 65 HE3 MET 65 -7.351 0.165 2.058 521 H ALA 66 HN ALA 66 -6.886 -6.727 1.629 522 HA ALA 66 HA ALA 66 -8.330 -5.871 3.924 523 HB1 ALA 66 HB1 ALA 66 -8.896 -8.182 2.065 524 HB2 ALA 66 HB2 ALA 66 -10.035 -7.458 3.202 525 HB3 ALA 66 HB3 ALA 66 -9.438 -6.520 1.833 526 H ASP 67 HN ASP 67 -6.282 -8.579 3.177 527 HA ASP 67 HA ASP 67 -7.027 -10.285 5.293 528 HB2 ASP 67 HB2 ASP 67 -5.673 -11.079 3.419 529 HB3 ASP 67 HB3 ASP 67 -4.362 -9.999 3.883 530 H TYR 68 HN TYR 68 -5.219 -7.364 5.174 531 HA TYR 68 HA TYR 68 -3.893 -7.829 7.718 532 HB2 TYR 68 HB2 TYR 68 -3.913 -5.443 5.860 533 HB3 TYR 68 HB3 TYR 68 -2.931 -5.571 7.319 534 HD1 TYR 68 HD1 TYR 68 -3.476 -6.989 3.951 535 HD2 TYR 68 HD2 TYR 68 -0.902 -6.828 7.332 536 HE1 TYR 68 HE1 TYR 68 -1.706 -8.092 2.653 537 HE2 TYR 68 HE2 TYR 68 0.872 -7.933 6.049 538 HH TYR 68 HH TYR 68 0.734 -8.297 2.673 539 H GLY 69 HN GLY 69 -6.921 -7.417 7.162 540 HA2 GLY 69 HA1 GLY 69 -8.708 -6.381 8.171 541 HA3 GLY 69 HA2 GLY 69 -7.710 -6.494 9.612 542 H ILE 70 HN ILE 70 -7.025 -4.553 6.739 543 HA ILE 70 HA ILE 70 -6.526 -2.246 8.308 544 HB ILE 70 HB ILE 70 -6.090 -1.087 6.286 545 HG12 ILE 70 HG12 ILE 70 -7.822 -1.461 4.779 546 HG13 ILE 70 HG13 ILE 70 -6.498 -2.366 4.066 547 HG21 ILE 70 HG21 ILE 70 -4.485 -2.536 5.204 548 HG22 ILE 70 HG22 ILE 70 -4.448 -2.751 6.953 549 HG23 ILE 70 HG23 ILE 70 -5.245 -3.952 5.934 550 HD11 ILE 70 HD11 ILE 70 -7.410 -4.431 4.904 551 HD12 ILE 70 HD12 ILE 70 -8.721 -3.551 5.689 552 HD13 ILE 70 HD13 ILE 70 -8.597 -3.569 3.930 553 H ARG 71 HN ARG 71 -7.546 -0.113 7.249 554 HA ARG 71 HA ARG 71 -10.462 -0.351 7.164 555 HB2 ARG 71 HB2 ARG 71 -10.659 1.482 8.786 556 HB3 ARG 71 HB3 ARG 71 -9.848 0.087 9.484 557 HG2 ARG 71 HG2 ARG 71 -7.693 1.175 9.166 558 HG3 ARG 71 HG3 ARG 71 -8.503 2.573 8.455 559 HD2 ARG 71 HD2 ARG 71 -9.739 2.871 10.586 560 HD3 ARG 71 HD3 ARG 71 -8.794 1.554 11.278 561 HE ARG 71 HE ARG 71 -7.227 3.706 10.163 562 HH11 ARG 71 HH11 ARG 71 -7.831 3.354 14.105 563 HH12 ARG 71 HH12 ARG 71 -8.809 2.447 13.000 564 HH21 ARG 71 HH21 ARG 71 -6.198 4.751 13.314 565 HH22 ARG 71 HH22 ARG 71 -5.935 4.904 11.608 566 H LYS 72 HN LYS 72 -11.475 1.811 6.554 567 HA LYS 72 HA LYS 72 -10.500 2.783 4.176 568 HB2 LYS 72 HB2 LYS 72 -12.272 4.023 6.240 569 HB3 LYS 72 HB3 LYS 72 -11.899 4.851 4.744 570 HG2 LYS 72 HG2 LYS 72 -13.191 3.485 3.517 571 HG3 LYS 72 HG3 LYS 72 -12.850 2.099 4.546 572 HD2 LYS 72 HD2 LYS 72 -14.373 2.822 6.191 573 HD3 LYS 72 HD3 LYS 72 -14.554 4.394 5.424 574 HE2 LYS 72 HE2 LYS 72 -15.414 1.758 4.242 575 HE3 LYS 72 HE3 LYS 72 -16.488 2.928 5.008 576 HZ1 LYS 72 HZ1 LYS 72 -15.937 4.526 3.304 577 HZ2 LYS 72 HZ2 LYS 72 -16.498 3.102 2.582 578 HZ3 LYS 72 HZ3 LYS 72 -14.843 3.452 2.590 579 H GLY 73 HN GLY 73 -9.087 4.299 3.576 580 HA2 GLY 73 HA1 GLY 73 -7.206 5.617 3.734 581 HA3 GLY 73 HA2 GLY 73 -8.138 6.480 4.948 582 H ASN 74 HN ASN 74 -6.762 3.180 5.023 583 HA ASN 74 HA ASN 74 -5.797 3.555 7.667 584 HB2 ASN 74 HB2 ASN 74 -6.391 1.334 6.308 585 HB3 ASN 74 HB3 ASN 74 -4.670 1.390 5.950 586 HD21 ASN 74 HD21 ASN 74 -5.957 2.657 8.915 587 HD22 ASN 74 HD22 ASN 74 -5.334 1.422 9.950 588 H LEU 75 HN LEU 75 -3.461 3.039 8.196 589 HA LEU 75 HA LEU 75 -1.764 4.824 6.630 590 HB2 LEU 75 HB2 LEU 75 -1.692 3.782 9.427 591 HB3 LEU 75 HB3 LEU 75 -0.199 4.311 8.687 592 HG LEU 75 HG LEU 75 -2.639 5.968 9.298 593 HD11 LEU 75 HD11 LEU 75 -1.049 5.560 11.125 594 HD12 LEU 75 HD12 LEU 75 0.248 6.223 10.128 595 HD13 LEU 75 HD13 LEU 75 -1.085 7.257 10.642 596 HD21 LEU 75 HD21 LEU 75 -1.895 6.649 7.108 597 HD22 LEU 75 HD22 LEU 75 -1.406 7.864 8.288 598 HD23 LEU 75 HD23 LEU 75 -0.221 6.719 7.658 599 H LEU 76 HN LEU 76 -0.128 4.144 5.417 600 HA LEU 76 HA LEU 76 0.906 1.423 5.807 601 HB2 LEU 76 HB2 LEU 76 0.461 2.600 3.071 602 HB3 LEU 76 HB3 LEU 76 0.884 0.949 3.478 603 HG LEU 76 HG LEU 76 -1.442 0.913 4.662 604 HD11 LEU 76 HD11 LEU 76 -2.066 2.974 2.588 605 HD12 LEU 76 HD12 LEU 76 -3.053 2.417 3.939 606 HD13 LEU 76 HD13 LEU 76 -1.647 3.438 4.237 607 HD21 LEU 76 HD21 LEU 76 -2.490 0.198 2.569 608 HD22 LEU 76 HD22 LEU 76 -1.168 0.928 1.660 609 HD23 LEU 76 HD23 LEU 76 -0.854 -0.441 2.727 610 H PHE 77 HN PHE 77 3.075 1.120 5.123 611 HA PHE 77 HA PHE 77 4.555 3.642 4.733 612 HB2 PHE 77 HB2 PHE 77 5.316 1.172 6.303 613 HB3 PHE 77 HB3 PHE 77 6.473 2.427 5.872 614 HD1 PHE 77 HD1 PHE 77 6.808 4.196 7.311 615 HD2 PHE 77 HD2 PHE 77 3.183 1.980 7.568 616 HE1 PHE 77 HE1 PHE 77 6.170 5.479 9.310 617 HE2 PHE 77 HE2 PHE 77 2.536 3.263 9.568 618 HZ PHE 77 HZ PHE 77 4.031 5.014 10.441 619 H LEU 78 HN LEU 78 5.938 3.763 3.045 620 HA LEU 78 HA LEU 78 6.132 1.398 1.320 621 HB2 LEU 78 HB2 LEU 78 5.256 3.784 0.613 622 HB3 LEU 78 HB3 LEU 78 6.965 4.126 0.437 623 HG LEU 78 HG LEU 78 5.538 1.875 -0.978 624 HD11 LEU 78 HD11 LEU 78 5.683 3.281 -2.975 625 HD12 LEU 78 HD12 LEU 78 4.678 4.019 -1.728 626 HD13 LEU 78 HD13 LEU 78 6.321 4.602 -1.994 627 HD21 LEU 78 HD21 LEU 78 7.572 1.903 -2.403 628 HD22 LEU 78 HD22 LEU 78 8.300 3.046 -1.275 629 HD23 LEU 78 HD23 LEU 78 7.884 1.419 -0.737 630 H ALA 79 HN ALA 79 7.992 0.374 1.051 631 HA ALA 79 HA ALA 79 10.516 1.762 1.617 632 HB1 ALA 79 HB1 ALA 79 9.881 -1.003 2.644 633 HB2 ALA 79 HB2 ALA 79 11.367 -0.090 2.903 634 HB3 ALA 79 HB3 ALA 79 9.855 0.463 3.624 635 H SER 80 HN SER 80 12.418 0.280 0.898 636 HA SER 80 HA SER 80 11.809 -1.541 -1.245 637 HB2 SER 80 HB2 SER 80 13.329 -0.132 -2.832 638 HB3 SER 80 HB3 SER 80 11.627 0.291 -2.667 639 HG SER 80 HG SER 80 13.265 1.497 -0.823 640 H TYR 81 HN TYR 81 13.586 -2.760 -1.945 641 HA TYR 81 HA TYR 81 15.473 -3.444 -0.067 642 HB2 TYR 81 HB2 TYR 81 15.208 -3.873 -2.969 643 HB3 TYR 81 HB3 TYR 81 16.796 -4.174 -2.281 644 HD1 TYR 81 HD1 TYR 81 13.373 -5.349 -2.574 645 HD2 TYR 81 HD2 TYR 81 17.071 -5.931 -0.553 646 HE1 TYR 81 HE1 TYR 81 12.621 -7.576 -1.849 647 HE2 TYR 81 HE2 TYR 81 16.329 -8.158 0.179 648 HH TYR 81 HH TYR 81 13.619 -9.713 -1.128 649 H SER 82 HN SER 82 17.024 -2.262 0.826 650 HA SER 82 HA SER 82 18.050 0.109 -0.353 651 HB2 SER 82 HB2 SER 82 19.106 -1.472 2.004 652 HB3 SER 82 HB3 SER 82 19.556 0.182 1.588 653 HG SER 82 HG SER 82 17.075 -0.797 2.513 654 H ILE 83 HN ILE 83 20.458 0.482 -0.538 655 HA ILE 83 HA ILE 83 22.490 0.071 -1.469 656 HB ILE 83 HB ILE 83 21.825 -2.867 -1.240 657 HG12 ILE 83 HG12 ILE 83 21.725 -1.758 0.947 658 HG13 ILE 83 HG13 ILE 83 23.130 -2.812 0.842 659 HG21 ILE 83 HG21 ILE 83 24.269 -3.167 -1.321 660 HG22 ILE 83 HG22 ILE 83 23.628 -2.451 -2.799 661 HG23 ILE 83 HG23 ILE 83 24.454 -1.439 -1.615 662 HD11 ILE 83 HD11 ILE 83 23.657 -0.710 1.950 663 HD12 ILE 83 HD12 ILE 83 24.559 -0.882 0.445 664 HD13 ILE 83 HD13 ILE 83 23.154 0.180 0.513 665 H GLY 84 HN GLY 84 19.638 -1.417 -2.782 666 HA2 GLY 84 HA1 GLY 84 19.165 -0.831 -5.122 667 HA3 GLY 84 HA2 GLY 84 20.843 -1.217 -5.470 668 H GLY 85 HN GLY 85 21.390 -3.573 -4.584 669 HA2 GLY 85 HA1 GLY 85 19.217 -5.345 -5.517 670 HA3 GLY 85 HA2 GLY 85 20.893 -5.587 -5.986 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -27.453 -1.378 -7.688 2 H2 GLY 1 H2 GLY 1 -29.078 -1.143 -7.282 3 H3 GLY 1 H3 GLY 1 -28.571 -2.629 -7.912 4 HA2 GLY 1 HA2 GLY 1 -27.768 -1.485 -5.292 5 HA3 GLY 1 HA1 GLY 1 -28.923 -2.788 -5.528 6 H ALA 2 HN ALA 2 -26.306 -2.650 -4.092 7 HA ALA 2 HA ALA 2 -25.199 -5.102 -5.232 8 HB1 ALA 2 HB1 ALA 2 -22.910 -4.300 -5.091 9 HB2 ALA 2 HB2 ALA 2 -23.854 -3.279 -6.176 10 HB3 ALA 2 HB3 ALA 2 -23.478 -2.722 -4.545 11 H MET 3 HN MET 3 -23.161 -5.640 -3.617 12 HA MET 3 HA MET 3 -24.424 -5.765 -0.973 13 HB2 MET 3 HB2 MET 3 -22.285 -7.460 -2.261 14 HB3 MET 3 HB3 MET 3 -22.749 -7.610 -0.573 15 HG2 MET 3 HG2 MET 3 -23.893 -9.299 -1.762 16 HG3 MET 3 HG3 MET 3 -25.083 -8.068 -1.344 17 HE1 MET 3 HE1 MET 3 -22.365 -8.030 -4.238 18 HE2 MET 3 HE2 MET 3 -22.934 -9.697 -4.147 19 HE3 MET 3 HE3 MET 3 -23.318 -8.710 -5.557 20 H GLY 4 HN GLY 4 -21.185 -5.351 -2.410 21 HA2 GLY 4 HA1 GLY 4 -20.274 -4.111 0.081 22 HA3 GLY 4 HA2 GLY 4 -19.252 -4.624 -1.253 23 H ASP 5 HN ASP 5 -18.260 -2.501 -0.902 24 HA ASP 5 HA ASP 5 -19.723 -0.405 -2.366 25 HB2 ASP 5 HB2 ASP 5 -19.506 0.049 0.105 26 HB3 ASP 5 HB3 ASP 5 -17.760 0.088 -0.116 27 H GLU 6 HN GLU 6 -18.003 1.381 -3.029 28 HA GLU 6 HA GLU 6 -16.302 0.188 -4.924 29 HB2 GLU 6 HB2 GLU 6 -16.297 3.016 -3.852 30 HB3 GLU 6 HB3 GLU 6 -15.449 2.481 -5.296 31 HG2 GLU 6 HG2 GLU 6 -18.430 2.383 -4.898 32 HG3 GLU 6 HG3 GLU 6 -17.558 3.620 -5.803 33 H GLU 7 HN GLU 7 -13.922 1.500 -4.890 34 HA GLU 7 HA GLU 7 -12.366 -0.081 -3.175 35 HB2 GLU 7 HB2 GLU 7 -10.500 1.491 -3.916 36 HB3 GLU 7 HB3 GLU 7 -11.342 0.591 -5.168 37 HG2 GLU 7 HG2 GLU 7 -12.821 2.666 -5.347 38 HG3 GLU 7 HG3 GLU 7 -11.517 3.476 -4.488 39 H LEU 8 HN LEU 8 -10.695 0.810 -1.647 40 HA LEU 8 HA LEU 8 -11.973 2.798 0.104 41 HB2 LEU 8 HB2 LEU 8 -10.157 0.479 0.743 42 HB3 LEU 8 HB3 LEU 8 -10.542 1.731 1.906 43 HG LEU 8 HG LEU 8 -12.457 -0.240 0.656 44 HD11 LEU 8 HD11 LEU 8 -12.631 -1.205 2.764 45 HD12 LEU 8 HD12 LEU 8 -10.909 -0.861 2.615 46 HD13 LEU 8 HD13 LEU 8 -11.939 0.200 3.572 47 HD21 LEU 8 HD21 LEU 8 -13.534 1.948 0.832 48 HD22 LEU 8 HD22 LEU 8 -14.199 0.813 2.006 49 HD23 LEU 8 HD23 LEU 8 -13.056 2.051 2.527 50 HA PRO 9 HA PRO 9 -8.408 5.369 -0.265 51 HB2 PRO 9 HB2 PRO 9 -8.621 6.480 2.350 52 HB3 PRO 9 HB3 PRO 9 -9.314 7.110 0.856 53 HG2 PRO 9 HG2 PRO 9 -10.781 6.121 2.987 54 HG3 PRO 9 HG3 PRO 9 -11.376 6.266 1.324 55 HD2 PRO 9 HD2 PRO 9 -10.289 3.865 2.745 56 HD3 PRO 9 HD3 PRO 9 -11.654 3.977 1.618 57 H LEU 10 HN LEU 10 -6.285 5.923 0.569 58 HA LEU 10 HA LEU 10 -5.260 4.357 2.784 59 HB2 LEU 10 HB2 LEU 10 -4.245 4.035 -0.037 60 HB3 LEU 10 HB3 LEU 10 -3.384 3.497 1.389 61 HG LEU 10 HG LEU 10 -6.153 2.529 0.831 62 HD11 LEU 10 HD11 LEU 10 -4.513 2.218 -1.134 63 HD12 LEU 10 HD12 LEU 10 -3.718 1.047 -0.083 64 HD13 LEU 10 HD13 LEU 10 -5.403 0.814 -0.548 65 HD21 LEU 10 HD21 LEU 10 -3.814 1.332 2.306 66 HD22 LEU 10 HD22 LEU 10 -5.209 2.118 3.044 67 HD23 LEU 10 HD23 LEU 10 -5.416 0.614 2.144 68 H PHE 11 HN PHE 11 -2.967 4.835 3.192 69 HA PHE 11 HA PHE 11 -2.258 7.586 2.403 70 HB2 PHE 11 HB2 PHE 11 -2.274 6.316 5.132 71 HB3 PHE 11 HB3 PHE 11 -1.305 7.746 4.785 72 HD1 PHE 11 HD1 PHE 11 -4.570 6.465 5.552 73 HD2 PHE 11 HD2 PHE 11 -2.467 9.843 4.063 74 HE1 PHE 11 HE1 PHE 11 -6.532 7.869 5.997 75 HE2 PHE 11 HE2 PHE 11 -4.424 11.264 4.500 76 HZ PHE 11 HZ PHE 11 -6.457 10.285 5.489 77 H LEU 12 HN LEU 12 -0.487 7.320 1.124 78 HA LEU 12 HA LEU 12 1.432 5.226 1.751 79 HB2 LEU 12 HB2 LEU 12 0.772 6.849 -0.581 80 HB3 LEU 12 HB3 LEU 12 2.499 6.693 -0.331 81 HG LEU 12 HG LEU 12 1.634 4.984 -1.863 82 HD11 LEU 12 HD11 LEU 12 2.548 3.837 0.771 83 HD12 LEU 12 HD12 LEU 12 2.657 3.055 -0.806 84 HD13 LEU 12 HD13 LEU 12 3.599 4.509 -0.475 85 HD21 LEU 12 HD21 LEU 12 -0.619 4.792 -0.930 86 HD22 LEU 12 HD22 LEU 12 0.169 3.218 -1.045 87 HD23 LEU 12 HD23 LEU 12 0.044 4.030 0.516 88 H VAL 13 HN VAL 13 3.026 5.554 3.136 89 HA VAL 13 HA VAL 13 4.129 8.273 3.405 90 HB VAL 13 HB VAL 13 4.355 6.116 5.493 91 HG11 VAL 13 HG11 VAL 13 4.677 8.066 6.979 92 HG12 VAL 13 HG12 VAL 13 5.906 7.937 5.720 93 HG13 VAL 13 HG13 VAL 13 4.603 9.115 5.563 94 HG21 VAL 13 HG21 VAL 13 2.441 7.111 6.646 95 HG22 VAL 13 HG22 VAL 13 2.185 8.203 5.284 96 HG23 VAL 13 HG23 VAL 13 1.975 6.465 5.073 97 H GLU 14 HN GLU 14 5.980 8.381 2.283 98 HA GLU 14 HA GLU 14 7.579 6.155 1.616 99 HB2 GLU 14 HB2 GLU 14 7.776 9.103 1.338 100 HB3 GLU 14 HB3 GLU 14 9.260 8.182 1.181 101 HG2 GLU 14 HG2 GLU 14 6.811 7.461 -0.373 102 HG3 GLU 14 HG3 GLU 14 7.928 8.705 -0.928 103 H SER 15 HN SER 15 9.025 5.096 2.774 104 HA SER 15 HA SER 15 9.653 5.738 5.438 105 HB2 SER 15 HB2 SER 15 9.778 3.446 4.606 106 HB3 SER 15 HB3 SER 15 11.105 3.892 3.531 107 HG SER 15 HG SER 15 11.245 3.108 6.055 108 H GLY 16 HN GLY 16 11.537 6.162 2.460 109 HA2 GLY 16 HA1 GLY 16 13.869 7.123 3.683 110 HA3 GLY 16 HA2 GLY 16 13.388 7.450 2.024 111 H ASP 17 HN ASP 17 10.989 8.837 2.554 112 HA ASP 17 HA ASP 17 11.798 11.125 4.188 113 HB2 ASP 17 HB2 ASP 17 10.911 11.355 1.304 114 HB3 ASP 17 HB3 ASP 17 11.200 12.707 2.395 115 H GLU 18 HN GLU 18 10.201 11.233 5.626 116 HA GLU 18 HA GLU 18 7.597 10.264 5.249 117 HB2 GLU 18 HB2 GLU 18 7.056 11.300 7.354 118 HB3 GLU 18 HB3 GLU 18 8.674 10.621 7.459 119 HG2 GLU 18 HG2 GLU 18 8.123 13.508 6.865 120 HG3 GLU 18 HG3 GLU 18 8.382 12.879 8.491 121 H ALA 19 HN ALA 19 9.064 13.181 4.254 122 HA ALA 19 HA ALA 19 6.838 14.904 4.221 123 HB1 ALA 19 HB1 ALA 19 9.272 14.880 2.441 124 HB2 ALA 19 HB2 ALA 19 8.118 16.207 2.572 125 HB3 ALA 19 HB3 ALA 19 9.094 15.746 3.967 126 H LYS 20 HN LYS 20 7.921 12.403 2.022 127 HA LYS 20 HA LYS 20 6.168 13.134 -0.106 128 HB2 LYS 20 HB2 LYS 20 7.272 10.372 0.234 129 HB3 LYS 20 HB3 LYS 20 6.997 11.277 -1.246 130 HG2 LYS 20 HG2 LYS 20 9.164 11.804 0.776 131 HG3 LYS 20 HG3 LYS 20 9.367 11.036 -0.799 132 HD2 LYS 20 HD2 LYS 20 8.618 13.098 -1.891 133 HD3 LYS 20 HD3 LYS 20 8.429 13.863 -0.313 134 HE2 LYS 20 HE2 LYS 20 10.800 13.621 0.120 135 HE3 LYS 20 HE3 LYS 20 11.015 12.766 -1.406 136 HZ1 LYS 20 HZ1 LYS 20 10.325 14.773 -2.576 137 HZ2 LYS 20 HZ2 LYS 20 11.675 15.074 -1.601 138 HZ3 LYS 20 HZ3 LYS 20 10.141 15.588 -1.106 139 H ARG 21 HN ARG 21 4.053 13.201 0.507 140 HA ARG 21 HA ARG 21 2.888 10.696 1.524 141 HB2 ARG 21 HB2 ARG 21 2.662 13.419 2.478 142 HB3 ARG 21 HB3 ARG 21 1.081 12.763 2.065 143 HG2 ARG 21 HG2 ARG 21 3.037 11.328 3.820 144 HG3 ARG 21 HG3 ARG 21 1.796 12.427 4.435 145 HD2 ARG 21 HD2 ARG 21 1.359 9.922 2.820 146 HD3 ARG 21 HD3 ARG 21 0.978 10.159 4.527 147 HE ARG 21 HE ARG 21 -0.561 11.997 3.587 148 HH11 ARG 21 HH11 ARG 21 -1.380 8.883 1.212 149 HH12 ARG 21 HH12 ARG 21 0.122 8.937 2.073 150 HH21 ARG 21 HH21 ARG 21 -2.891 10.588 1.431 151 HH22 ARG 21 HH22 ARG 21 -2.537 11.936 2.460 152 H HIS 22 HN HIS 22 1.263 9.783 0.397 153 HA HIS 22 HA HIS 22 -0.156 11.360 -1.616 154 HB2 HIS 22 HB2 HIS 22 0.563 8.829 -2.789 155 HB3 HIS 22 HB3 HIS 22 0.852 10.456 -3.399 156 HD2 HIS 22 HD2 HIS 22 2.790 7.489 -2.114 157 HE1 HIS 22 HE1 HIS 22 5.331 10.838 -1.713 158 H LEU 23 HN LEU 23 -2.238 11.003 -1.256 159 HA LEU 23 HA LEU 23 -3.177 8.589 0.036 160 HB2 LEU 23 HB2 LEU 23 -4.053 11.028 0.296 161 HB3 LEU 23 HB3 LEU 23 -4.930 10.700 -1.181 162 HG LEU 23 HG LEU 23 -5.229 9.186 1.416 163 HD11 LEU 23 HD11 LEU 23 -6.140 11.464 1.468 164 HD12 LEU 23 HD12 LEU 23 -7.103 11.098 0.036 165 HD13 LEU 23 HD13 LEU 23 -7.405 10.238 1.546 166 HD21 LEU 23 HD21 LEU 23 -7.233 8.214 0.255 167 HD22 LEU 23 HD22 LEU 23 -6.597 8.878 -1.249 168 HD23 LEU 23 HD23 LEU 23 -5.674 7.667 -0.360 169 H LEU 24 HN LEU 24 -4.019 6.837 -0.965 170 HA LEU 24 HA LEU 24 -4.672 7.098 -3.825 171 HB2 LEU 24 HB2 LEU 24 -3.375 4.699 -2.556 172 HB3 LEU 24 HB3 LEU 24 -3.732 4.921 -4.253 173 HG LEU 24 HG LEU 24 -1.745 6.555 -2.675 174 HD11 LEU 24 HD11 LEU 24 -1.011 4.247 -2.965 175 HD12 LEU 24 HD12 LEU 24 -1.310 4.363 -4.698 176 HD13 LEU 24 HD13 LEU 24 -0.052 5.350 -3.953 177 HD21 LEU 24 HD21 LEU 24 -2.762 7.791 -4.513 178 HD22 LEU 24 HD22 LEU 24 -1.076 7.411 -4.864 179 HD23 LEU 24 HD23 LEU 24 -2.367 6.480 -5.624 180 H GLN 25 HN GLN 25 -6.471 6.142 -4.532 181 HA GLN 25 HA GLN 25 -8.199 4.870 -2.533 182 HB2 GLN 25 HB2 GLN 25 -9.866 5.288 -4.593 183 HB3 GLN 25 HB3 GLN 25 -9.548 6.493 -3.352 184 HG2 GLN 25 HG2 GLN 25 -9.383 7.601 -5.429 185 HG3 GLN 25 HG3 GLN 25 -7.738 7.383 -4.828 186 HE21 GLN 25 HE21 GLN 25 -6.393 5.842 -5.804 187 HE22 GLN 25 HE22 GLN 25 -6.711 5.235 -7.388 188 H VAL 26 HN VAL 26 -7.789 2.788 -2.552 189 HA VAL 26 HA VAL 26 -8.362 1.279 -4.983 190 HB VAL 26 HB VAL 26 -5.900 0.847 -3.302 191 HG11 VAL 26 HG11 VAL 26 -6.983 -0.768 -5.597 192 HG12 VAL 26 HG12 VAL 26 -5.388 -0.979 -4.876 193 HG13 VAL 26 HG13 VAL 26 -6.835 -1.284 -3.918 194 HG21 VAL 26 HG21 VAL 26 -4.678 1.287 -5.388 195 HG22 VAL 26 HG22 VAL 26 -6.208 1.650 -6.188 196 HG23 VAL 26 HG23 VAL 26 -5.636 2.675 -4.872 197 H ARG 27 HN ARG 27 -9.401 -0.613 -4.607 198 HA ARG 27 HA ARG 27 -10.887 -0.976 -2.316 199 HB2 ARG 27 HB2 ARG 27 -10.024 -3.282 -4.053 200 HB3 ARG 27 HB3 ARG 27 -11.511 -3.120 -3.133 201 HG2 ARG 27 HG2 ARG 27 -12.327 -1.443 -4.621 202 HG3 ARG 27 HG3 ARG 27 -10.776 -1.379 -5.455 203 HD2 ARG 27 HD2 ARG 27 -11.066 -3.659 -6.233 204 HD3 ARG 27 HD3 ARG 27 -12.579 -3.791 -5.337 205 HE ARG 27 HE ARG 27 -13.085 -1.712 -6.935 206 HH11 ARG 27 HH11 ARG 27 -12.287 -4.894 -9.231 207 HH12 ARG 27 HH12 ARG 27 -11.671 -4.824 -7.615 208 HH21 ARG 27 HH21 ARG 27 -13.552 -3.173 -10.055 209 HH22 ARG 27 HH22 ARG 27 -13.901 -1.798 -9.062 210 H ARG 28 HN ARG 28 -10.779 -2.329 -0.558 211 HA ARG 28 HA ARG 28 -8.180 -2.717 0.527 212 HB2 ARG 28 HB2 ARG 28 -9.298 -3.596 2.476 213 HB3 ARG 28 HB3 ARG 28 -10.126 -2.149 1.924 214 HG2 ARG 28 HG2 ARG 28 -11.972 -3.284 1.281 215 HG3 ARG 28 HG3 ARG 28 -11.065 -4.750 0.931 216 HD2 ARG 28 HD2 ARG 28 -10.787 -5.196 3.272 217 HD3 ARG 28 HD3 ARG 28 -11.618 -3.696 3.689 218 HE ARG 28 HE ARG 28 -13.435 -5.044 2.187 219 HH11 ARG 28 HH11 ARG 28 -12.760 -6.934 5.652 220 HH12 ARG 28 HH12 ARG 28 -11.569 -5.847 5.017 221 HH21 ARG 28 HH21 ARG 28 -14.714 -7.290 4.512 222 HH22 ARG 28 HH22 ARG 28 -15.009 -6.472 3.015 223 H SER 29 HN SER 29 -10.609 -4.747 -0.943 224 HA SER 29 HA SER 29 -9.360 -7.234 -0.349 225 HB2 SER 29 HB2 SER 29 -11.321 -6.508 -2.538 226 HB3 SER 29 HB3 SER 29 -10.896 -8.149 -2.055 227 HG SER 29 HG SER 29 -12.844 -7.373 -1.075 228 H SER 30 HN SER 30 -8.522 -4.705 -2.388 229 HA SER 30 HA SER 30 -7.501 -6.090 -4.630 230 HB2 SER 30 HB2 SER 30 -6.468 -3.530 -3.392 231 HB3 SER 30 HB3 SER 30 -6.115 -4.108 -5.018 232 HG SER 30 HG SER 30 -7.780 -2.796 -5.373 233 H SER 31 HN SER 31 -5.744 -7.343 -4.854 234 HA SER 31 HA SER 31 -4.209 -8.001 -2.554 235 HB2 SER 31 HB2 SER 31 -3.000 -9.516 -3.972 236 HB3 SER 31 HB3 SER 31 -4.706 -9.609 -4.398 237 HG SER 31 HG SER 31 -2.568 -8.778 -5.897 238 H VAL 32 HN VAL 32 -2.091 -7.584 -2.112 239 HA VAL 32 HA VAL 32 -1.070 -5.101 -2.399 240 HB VAL 32 HB VAL 32 1.008 -5.930 -1.627 241 HG11 VAL 32 HG11 VAL 32 0.381 -7.144 0.284 242 HG12 VAL 32 HG12 VAL 32 -1.032 -6.186 -0.160 243 HG13 VAL 32 HG13 VAL 32 -0.972 -7.904 -0.553 244 HG21 VAL 32 HG21 VAL 32 0.166 -8.636 -2.638 245 HG22 VAL 32 HG22 VAL 32 1.460 -7.626 -3.284 246 HG23 VAL 32 HG23 VAL 32 1.606 -8.322 -1.670 247 H ALA 33 HN ALA 33 -0.812 -7.745 -4.693 248 HA ALA 33 HA ALA 33 1.311 -6.749 -6.246 249 HB1 ALA 33 HB1 ALA 33 0.467 -9.057 -6.373 250 HB2 ALA 33 HB2 ALA 33 -0.990 -8.461 -7.167 251 HB3 ALA 33 HB3 ALA 33 0.576 -8.288 -7.956 252 H GLN 34 HN GLN 34 -2.203 -6.268 -6.545 253 HA GLN 34 HA GLN 34 -1.930 -4.674 -8.934 254 HB2 GLN 34 HB2 GLN 34 -4.359 -4.948 -7.164 255 HB3 GLN 34 HB3 GLN 34 -4.316 -4.437 -8.844 256 HG2 GLN 34 HG2 GLN 34 -3.551 -6.682 -9.487 257 HG3 GLN 34 HG3 GLN 34 -3.665 -7.184 -7.801 258 HE21 GLN 34 HE21 GLN 34 -5.429 -6.302 -10.659 259 HE22 GLN 34 HE22 GLN 34 -6.972 -6.871 -10.131 260 H VAL 35 HN VAL 35 -2.488 -4.173 -5.522 261 HA VAL 35 HA VAL 35 -3.050 -1.433 -5.553 262 HB VAL 35 HB VAL 35 -1.705 -3.119 -3.433 263 HG11 VAL 35 HG11 VAL 35 -2.362 -1.383 -1.869 264 HG12 VAL 35 HG12 VAL 35 -1.265 -0.755 -3.100 265 HG13 VAL 35 HG13 VAL 35 -2.992 -0.414 -3.200 266 HG21 VAL 35 HG21 VAL 35 -3.961 -3.866 -4.097 267 HG22 VAL 35 HG22 VAL 35 -3.900 -3.282 -2.434 268 HG23 VAL 35 HG23 VAL 35 -4.583 -2.265 -3.701 269 H LYS 36 HN LYS 36 -0.016 -3.204 -5.152 270 HA LYS 36 HA LYS 36 1.662 -0.963 -4.967 271 HB2 LYS 36 HB2 LYS 36 2.037 -3.875 -5.486 272 HB3 LYS 36 HB3 LYS 36 3.392 -2.780 -5.641 273 HG2 LYS 36 HG2 LYS 36 2.956 -3.999 -3.402 274 HG3 LYS 36 HG3 LYS 36 3.418 -2.310 -3.408 275 HD2 LYS 36 HD2 LYS 36 1.374 -1.588 -2.732 276 HD3 LYS 36 HD3 LYS 36 0.538 -2.943 -3.482 277 HE2 LYS 36 HE2 LYS 36 0.651 -4.187 -1.632 278 HE3 LYS 36 HE3 LYS 36 2.313 -3.715 -1.302 279 HZ1 LYS 36 HZ1 LYS 36 1.490 -1.633 -0.381 280 HZ2 LYS 36 HZ2 LYS 36 0.817 -2.954 0.433 281 HZ3 LYS 36 HZ3 LYS 36 -0.105 -2.099 -0.698 282 H ALA 37 HN ALA 37 0.288 -2.733 -7.641 283 HA ALA 37 HA ALA 37 1.991 -1.897 -9.697 284 HB1 ALA 37 HB1 ALA 37 0.147 -3.528 -10.008 285 HB2 ALA 37 HB2 ALA 37 -1.013 -2.209 -9.862 286 HB3 ALA 37 HB3 ALA 37 0.120 -2.240 -11.212 287 H MET 38 HN MET 38 -0.749 -0.367 -8.111 288 HA MET 38 HA MET 38 -0.750 2.035 -9.611 289 HB2 MET 38 HB2 MET 38 -1.577 1.824 -6.720 290 HB3 MET 38 HB3 MET 38 -2.211 2.902 -7.955 291 HG2 MET 38 HG2 MET 38 -2.542 -0.077 -8.081 292 HG3 MET 38 HG3 MET 38 -3.683 0.978 -7.250 293 HE1 MET 38 HE1 MET 38 -5.771 0.368 -8.601 294 HE2 MET 38 HE2 MET 38 -5.803 0.191 -10.356 295 HE3 MET 38 HE3 MET 38 -4.822 -0.899 -9.377 296 H ILE 39 HN ILE 39 0.821 0.979 -6.640 297 HA ILE 39 HA ILE 39 1.960 3.339 -5.768 298 HB ILE 39 HB ILE 39 3.063 0.532 -5.640 299 HG12 ILE 39 HG12 ILE 39 0.954 0.744 -4.481 300 HG13 ILE 39 HG13 ILE 39 2.251 0.642 -3.294 301 HG21 ILE 39 HG21 ILE 39 4.422 1.381 -3.737 302 HG22 ILE 39 HG22 ILE 39 4.919 1.978 -5.320 303 HG23 ILE 39 HG23 ILE 39 3.996 3.019 -4.235 304 HD11 ILE 39 HD11 ILE 39 2.148 3.040 -2.946 305 HD12 ILE 39 HD12 ILE 39 0.883 3.173 -4.169 306 HD13 ILE 39 HD13 ILE 39 0.574 2.293 -2.672 307 H GLU 40 HN GLU 40 3.067 1.151 -8.316 308 HA GLU 40 HA GLU 40 5.547 2.512 -8.750 309 HB2 GLU 40 HB2 GLU 40 5.338 0.192 -9.406 310 HB3 GLU 40 HB3 GLU 40 3.981 0.569 -10.459 311 HG2 GLU 40 HG2 GLU 40 5.438 1.862 -11.908 312 HG3 GLU 40 HG3 GLU 40 6.802 1.548 -10.836 313 H THR 41 HN THR 41 2.298 2.721 -10.030 314 HA THR 41 HA THR 41 2.814 4.355 -12.250 315 HB THR 41 HB THR 41 0.275 4.885 -10.866 316 HG1 THR 41 HG1 THR 41 -0.390 2.641 -11.492 317 HG21 THR 41 HG21 THR 41 0.962 3.746 -13.572 318 HG22 THR 41 HG22 THR 41 0.704 5.454 -13.215 319 HG23 THR 41 HG23 THR 41 -0.627 4.308 -13.057 320 H LYS 42 HN LYS 42 2.702 5.081 -8.858 321 HA LYS 42 HA LYS 42 2.700 7.958 -9.428 322 HB2 LYS 42 HB2 LYS 42 2.099 6.363 -6.957 323 HB3 LYS 42 HB3 LYS 42 2.424 8.093 -6.874 324 HG2 LYS 42 HG2 LYS 42 0.174 8.185 -7.084 325 HG3 LYS 42 HG3 LYS 42 0.588 8.094 -8.798 326 HD2 LYS 42 HD2 LYS 42 0.457 5.565 -8.488 327 HD3 LYS 42 HD3 LYS 42 -0.414 5.927 -6.999 328 HE2 LYS 42 HE2 LYS 42 -1.904 5.527 -8.937 329 HE3 LYS 42 HE3 LYS 42 -2.106 7.124 -8.219 330 HZ1 LYS 42 HZ1 LYS 42 -0.521 6.522 -10.657 331 HZ2 LYS 42 HZ2 LYS 42 -0.746 8.054 -9.977 332 HZ3 LYS 42 HZ3 LYS 42 -2.063 7.220 -10.637 333 H THR 43 HN THR 43 4.611 5.428 -7.861 334 HA THR 43 HA THR 43 6.697 7.390 -7.220 335 HB THR 43 HB THR 43 7.732 5.703 -5.846 336 HG1 THR 43 HG1 THR 43 6.192 4.020 -7.369 337 HG21 THR 43 HG21 THR 43 5.932 5.263 -4.225 338 HG22 THR 43 HG22 THR 43 4.739 5.732 -5.435 339 HG23 THR 43 HG23 THR 43 5.889 6.922 -4.821 340 H GLY 44 HN GLY 44 6.238 4.330 -8.951 341 HA2 GLY 44 HA1 GLY 44 7.240 3.865 -11.042 342 HA3 GLY 44 HA2 GLY 44 8.488 5.048 -10.686 343 H ILE 45 HN ILE 45 8.110 3.263 -7.941 344 HA ILE 45 HA ILE 45 10.554 1.823 -8.377 345 HB ILE 45 HB ILE 45 8.640 1.525 -6.058 346 HG12 ILE 45 HG12 ILE 45 9.231 3.871 -6.290 347 HG13 ILE 45 HG13 ILE 45 10.057 3.187 -4.898 348 HG21 ILE 45 HG21 ILE 45 10.642 0.816 -4.837 349 HG22 ILE 45 HG22 ILE 45 10.297 -0.238 -6.209 350 HG23 ILE 45 HG23 ILE 45 11.586 0.960 -6.318 351 HD11 ILE 45 HD11 ILE 45 12.107 3.001 -6.226 352 HD12 ILE 45 HD12 ILE 45 11.270 3.723 -7.599 353 HD13 ILE 45 HD13 ILE 45 11.523 4.663 -6.128 354 H ILE 46 HN ILE 46 10.775 -0.202 -9.134 355 HA ILE 46 HA ILE 46 8.548 -1.647 -10.091 356 HB ILE 46 HB ILE 46 10.313 -3.561 -10.260 357 HG12 ILE 46 HG12 ILE 46 12.052 -1.147 -9.697 358 HG13 ILE 46 HG13 ILE 46 11.947 -2.609 -8.725 359 HG21 ILE 46 HG21 ILE 46 10.572 -0.997 -11.822 360 HG22 ILE 46 HG22 ILE 46 11.152 -2.582 -12.334 361 HG23 ILE 46 HG23 ILE 46 9.424 -2.299 -12.135 362 HD11 ILE 46 HD11 ILE 46 13.954 -2.690 -10.006 363 HD12 ILE 46 HD12 ILE 46 12.834 -3.883 -10.663 364 HD13 ILE 46 HD13 ILE 46 13.076 -2.348 -11.497 365 HA PRO 47 HA PRO 47 6.930 -3.967 -6.705 366 HB2 PRO 47 HB2 PRO 47 7.164 -6.231 -8.649 367 HB3 PRO 47 HB3 PRO 47 5.809 -5.767 -7.629 368 HG2 PRO 47 HG2 PRO 47 5.763 -5.166 -10.189 369 HG3 PRO 47 HG3 PRO 47 5.220 -3.972 -8.991 370 HD2 PRO 47 HD2 PRO 47 7.770 -4.094 -10.526 371 HD3 PRO 47 HD3 PRO 47 6.816 -2.680 -10.035 372 H GLU 48 HN GLU 48 9.374 -5.705 -8.609 373 HA GLU 48 HA GLU 48 10.188 -7.559 -6.736 374 HB2 GLU 48 HB2 GLU 48 12.272 -7.733 -7.985 375 HB3 GLU 48 HB3 GLU 48 10.900 -7.595 -9.074 376 HG2 GLU 48 HG2 GLU 48 11.405 -5.215 -9.386 377 HG3 GLU 48 HG3 GLU 48 12.806 -5.389 -8.329 378 H THR 49 HN THR 49 10.571 -4.202 -6.490 379 HA THR 49 HA THR 49 12.656 -4.543 -4.445 380 HB THR 49 HB THR 49 13.017 -2.022 -4.874 381 HG1 THR 49 HG1 THR 49 12.634 -1.694 -7.269 382 HG21 THR 49 HG21 THR 49 14.702 -3.699 -5.369 383 HG22 THR 49 HG22 THR 49 14.647 -2.496 -6.657 384 HG23 THR 49 HG23 THR 49 13.901 -4.077 -6.895 385 H GLN 50 HN GLN 50 9.492 -3.491 -5.203 386 HA GLN 50 HA GLN 50 9.037 -1.571 -3.218 387 HB2 GLN 50 HB2 GLN 50 7.188 -3.509 -4.591 388 HB3 GLN 50 HB3 GLN 50 6.625 -2.297 -3.462 389 HG2 GLN 50 HG2 GLN 50 7.847 -0.629 -5.032 390 HG3 GLN 50 HG3 GLN 50 7.747 -1.947 -6.200 391 HE21 GLN 50 HE21 GLN 50 6.320 -0.887 -7.544 392 HE22 GLN 50 HE22 GLN 50 4.679 -0.571 -7.110 393 H ILE 51 HN ILE 51 9.106 -1.777 -1.095 394 HA ILE 51 HA ILE 51 8.160 -4.280 0.125 395 HB ILE 51 HB ILE 51 10.429 -2.607 1.218 396 HG12 ILE 51 HG12 ILE 51 11.093 -3.766 -0.824 397 HG13 ILE 51 HG13 ILE 51 11.908 -4.434 0.571 398 HG21 ILE 51 HG21 ILE 51 9.336 -3.694 2.993 399 HG22 ILE 51 HG22 ILE 51 9.159 -5.186 2.065 400 HG23 ILE 51 HG23 ILE 51 10.753 -4.674 2.613 401 HD11 ILE 51 HD11 ILE 51 11.187 -6.159 -0.998 402 HD12 ILE 51 HD12 ILE 51 10.385 -6.323 0.564 403 HD13 ILE 51 HD13 ILE 51 9.517 -5.632 -0.806 404 H VAL 52 HN VAL 52 6.206 -3.585 0.740 405 HA VAL 52 HA VAL 52 6.002 -1.083 2.237 406 HB VAL 52 HB VAL 52 3.452 -1.734 1.965 407 HG11 VAL 52 HG11 VAL 52 3.390 -0.346 -0.074 408 HG12 VAL 52 HG12 VAL 52 4.429 0.344 1.174 409 HG13 VAL 52 HG13 VAL 52 5.142 -0.495 -0.203 410 HG21 VAL 52 HG21 VAL 52 4.477 -3.804 0.688 411 HG22 VAL 52 HG22 VAL 52 2.905 -3.114 0.323 412 HG23 VAL 52 HG23 VAL 52 4.299 -2.690 -0.666 413 H THR 53 HN THR 53 4.345 -1.098 3.944 414 HA THR 53 HA THR 53 4.088 -3.589 5.424 415 HB THR 53 HB THR 53 4.960 -1.822 7.414 416 HG1 THR 53 HG1 THR 53 5.969 -0.667 5.596 417 HG21 THR 53 HG21 THR 53 5.527 -3.966 7.871 418 HG22 THR 53 HG22 THR 53 7.068 -3.452 7.178 419 HG23 THR 53 HG23 THR 53 5.910 -4.341 6.189 420 H LEU 54 HN LEU 54 2.349 -3.719 6.552 421 HA LEU 54 HA LEU 54 0.619 -1.391 6.836 422 HB2 LEU 54 HB2 LEU 54 0.259 -4.236 6.492 423 HB3 LEU 54 HB3 LEU 54 -0.597 -3.690 7.915 424 HG LEU 54 HG LEU 54 -2.071 -3.684 6.030 425 HD11 LEU 54 HD11 LEU 54 -2.849 -1.377 6.080 426 HD12 LEU 54 HD12 LEU 54 -2.364 -1.905 7.692 427 HD13 LEU 54 HD13 LEU 54 -1.300 -0.860 6.747 428 HD21 LEU 54 HD21 LEU 54 -1.649 -2.119 4.137 429 HD22 LEU 54 HD22 LEU 54 -0.001 -1.948 4.742 430 HD23 LEU 54 HD23 LEU 54 -0.585 -3.523 4.207 431 H ASN 55 HN ASN 55 -0.796 -2.125 9.117 432 HA ASN 55 HA ASN 55 0.752 -1.079 11.167 433 HB2 ASN 55 HB2 ASN 55 -1.033 -2.317 12.644 434 HB3 ASN 55 HB3 ASN 55 -1.531 -1.001 11.582 435 HD21 ASN 55 HD21 ASN 55 -2.514 -1.522 9.578 436 HD22 ASN 55 HD22 ASN 55 -3.336 -3.024 9.358 437 H GLY 56 HN GLY 56 2.736 -2.020 11.442 438 HA2 GLY 56 HA1 GLY 56 4.287 -3.459 12.298 439 HA3 GLY 56 HA2 GLY 56 2.972 -4.197 13.196 440 H LYS 57 HN LYS 57 2.107 -4.459 10.023 441 HA LYS 57 HA LYS 57 3.318 -7.140 9.842 442 HB2 LYS 57 HB2 LYS 57 0.667 -6.068 8.949 443 HB3 LYS 57 HB3 LYS 57 1.368 -7.448 8.119 444 HG2 LYS 57 HG2 LYS 57 -0.216 -8.101 9.879 445 HG3 LYS 57 HG3 LYS 57 1.413 -8.714 10.179 446 HD2 LYS 57 HD2 LYS 57 1.796 -6.760 11.655 447 HD3 LYS 57 HD3 LYS 57 0.096 -6.349 11.468 448 HE2 LYS 57 HE2 LYS 57 0.750 -9.114 12.280 449 HE3 LYS 57 HE3 LYS 57 1.025 -7.835 13.454 450 HZ1 LYS 57 HZ1 LYS 57 -1.276 -7.157 13.224 451 HZ2 LYS 57 HZ2 LYS 57 -1.193 -8.788 13.664 452 HZ3 LYS 57 HZ3 LYS 57 -1.544 -8.360 12.065 453 H ARG 58 HN ARG 58 3.868 -7.916 7.654 454 HA ARG 58 HA ARG 58 4.734 -5.682 5.969 455 HB2 ARG 58 HB2 ARG 58 6.611 -6.824 5.392 456 HB3 ARG 58 HB3 ARG 58 6.321 -7.559 6.953 457 HG2 ARG 58 HG2 ARG 58 6.017 -9.566 6.071 458 HG3 ARG 58 HG3 ARG 58 4.937 -8.931 4.833 459 HD2 ARG 58 HD2 ARG 58 6.725 -9.758 3.596 460 HD3 ARG 58 HD3 ARG 58 7.075 -8.032 3.723 461 HE ARG 58 HE ARG 58 8.313 -9.357 5.860 462 HH11 ARG 58 HH11 ARG 58 10.249 -9.420 2.353 463 HH12 ARG 58 HH12 ARG 58 8.549 -9.090 2.392 464 HH21 ARG 58 HH21 ARG 58 11.386 -9.820 4.299 465 HH22 ARG 58 HH22 ARG 58 10.551 -9.793 5.817 466 H LEU 59 HN LEU 59 4.495 -5.811 3.720 467 HA LEU 59 HA LEU 59 2.017 -7.128 2.973 468 HB2 LEU 59 HB2 LEU 59 3.719 -5.000 1.762 469 HB3 LEU 59 HB3 LEU 59 2.513 -5.799 0.786 470 HG LEU 59 HG LEU 59 1.839 -3.622 1.811 471 HD11 LEU 59 HD11 LEU 59 0.082 -4.946 1.017 472 HD12 LEU 59 HD12 LEU 59 0.275 -6.126 2.315 473 HD13 LEU 59 HD13 LEU 59 -0.380 -4.527 2.666 474 HD21 LEU 59 HD21 LEU 59 1.520 -5.149 4.355 475 HD22 LEU 59 HD22 LEU 59 2.980 -4.221 4.009 476 HD23 LEU 59 HD23 LEU 59 1.418 -3.408 4.084 477 H GLU 60 HN GLU 60 2.025 -9.060 2.197 478 HA GLU 60 HA GLU 60 4.366 -10.050 0.726 479 HB2 GLU 60 HB2 GLU 60 2.154 -11.572 2.115 480 HB3 GLU 60 HB3 GLU 60 3.522 -12.296 1.291 481 HG2 GLU 60 HG2 GLU 60 5.029 -11.144 2.885 482 HG3 GLU 60 HG3 GLU 60 3.605 -10.580 3.755 483 H ASP 61 HN ASP 61 4.160 -11.000 -1.272 484 HA ASP 61 HA ASP 61 2.142 -10.087 -2.978 485 HB2 ASP 61 HB2 ASP 61 4.054 -12.403 -3.331 486 HB3 ASP 61 HB3 ASP 61 3.074 -11.709 -4.618 487 H GLY 62 HN GLY 62 0.282 -10.956 -3.761 488 HA2 GLY 62 HA1 GLY 62 -1.301 -12.660 -4.156 489 HA3 GLY 62 HA2 GLY 62 -0.466 -13.676 -2.990 490 H LYS 63 HN LYS 63 -0.375 -11.602 -0.941 491 HA LYS 63 HA LYS 63 -2.913 -12.112 0.257 492 HB2 LYS 63 HB2 LYS 63 -0.383 -11.438 1.168 493 HB3 LYS 63 HB3 LYS 63 -1.348 -10.011 1.525 494 HG2 LYS 63 HG2 LYS 63 -1.425 -11.407 3.431 495 HG3 LYS 63 HG3 LYS 63 -2.998 -11.525 2.644 496 HD2 LYS 63 HD2 LYS 63 -2.742 -13.707 2.208 497 HD3 LYS 63 HD3 LYS 63 -1.071 -13.487 1.682 498 HE2 LYS 63 HE2 LYS 63 -2.005 -13.609 4.541 499 HE3 LYS 63 HE3 LYS 63 -1.243 -14.933 3.663 500 HZ1 LYS 63 HZ1 LYS 63 0.001 -12.305 4.269 501 HZ2 LYS 63 HZ2 LYS 63 0.736 -13.559 3.406 502 HZ3 LYS 63 HZ3 LYS 63 0.354 -13.769 5.041 503 H MET 64 HN MET 64 -4.486 -10.614 0.903 504 HA MET 64 HA MET 64 -4.662 -8.258 -0.824 505 HB2 MET 64 HB2 MET 64 -7.009 -8.743 0.764 506 HB3 MET 64 HB3 MET 64 -6.835 -8.722 -0.976 507 HG2 MET 64 HG2 MET 64 -6.178 -11.054 -0.970 508 HG3 MET 64 HG3 MET 64 -6.274 -11.084 0.789 509 HE1 MET 64 HE1 MET 64 -7.870 -13.146 0.816 510 HE2 MET 64 HE2 MET 64 -9.356 -13.266 -0.126 511 HE3 MET 64 HE3 MET 64 -7.794 -13.246 -0.943 512 H MET 65 HN MET 65 -5.301 -6.217 0.059 513 HA MET 65 HA MET 65 -4.033 -5.502 2.455 514 HB2 MET 65 HB2 MET 65 -6.429 -3.952 1.548 515 HB3 MET 65 HB3 MET 65 -4.903 -3.362 2.187 516 HG2 MET 65 HG2 MET 65 -3.932 -4.303 -0.035 517 HG3 MET 65 HG3 MET 65 -5.608 -4.203 -0.576 518 HE1 MET 65 HE1 MET 65 -6.933 -1.361 -0.523 519 HE2 MET 65 HE2 MET 65 -6.655 -1.979 1.102 520 HE3 MET 65 HE3 MET 65 -6.115 -0.359 0.674 521 H ALA 66 HN ALA 66 -7.292 -6.520 1.736 522 HA ALA 66 HA ALA 66 -8.541 -5.971 4.176 523 HB1 ALA 66 HB1 ALA 66 -9.104 -8.261 2.291 524 HB2 ALA 66 HB2 ALA 66 -10.200 -7.623 3.517 525 HB3 ALA 66 HB3 ALA 66 -9.745 -6.625 2.137 526 H ASP 67 HN ASP 67 -6.487 -8.640 3.183 527 HA ASP 67 HA ASP 67 -7.021 -10.409 5.295 528 HB2 ASP 67 HB2 ASP 67 -5.768 -11.091 3.314 529 HB3 ASP 67 HB3 ASP 67 -4.456 -9.997 3.742 530 H TYR 68 HN TYR 68 -5.234 -7.464 5.199 531 HA TYR 68 HA TYR 68 -3.809 -7.989 7.676 532 HB2 TYR 68 HB2 TYR 68 -3.926 -5.531 5.919 533 HB3 TYR 68 HB3 TYR 68 -2.867 -5.730 7.316 534 HD1 TYR 68 HD1 TYR 68 -3.519 -6.822 3.869 535 HD2 TYR 68 HD2 TYR 68 -0.913 -7.133 7.216 536 HE1 TYR 68 HE1 TYR 68 -1.841 -7.924 2.448 537 HE2 TYR 68 HE2 TYR 68 0.778 -8.231 5.811 538 HH TYR 68 HH TYR 68 0.869 -9.520 3.720 539 H GLY 69 HN GLY 69 -6.893 -7.201 7.012 540 HA2 GLY 69 HA1 GLY 69 -8.591 -6.271 8.247 541 HA3 GLY 69 HA2 GLY 69 -7.497 -6.351 9.623 542 H ILE 70 HN ILE 70 -7.122 -4.539 6.605 543 HA ILE 70 HA ILE 70 -6.329 -2.168 7.908 544 HB ILE 70 HB ILE 70 -6.373 -1.138 5.769 545 HG12 ILE 70 HG12 ILE 70 -7.834 -3.581 4.840 546 HG13 ILE 70 HG13 ILE 70 -8.558 -1.995 5.072 547 HG21 ILE 70 HG21 ILE 70 -4.506 -2.586 6.187 548 HG22 ILE 70 HG22 ILE 70 -5.439 -3.996 5.685 549 HG23 ILE 70 HG23 ILE 70 -4.991 -2.767 4.502 550 HD11 ILE 70 HD11 ILE 70 -6.210 -2.244 3.317 551 HD12 ILE 70 HD12 ILE 70 -7.781 -2.798 2.722 552 HD13 ILE 70 HD13 ILE 70 -7.568 -1.125 3.248 553 H ARG 71 HN ARG 71 -7.492 -0.044 7.010 554 HA ARG 71 HA ARG 71 -10.388 -0.245 7.404 555 HB2 ARG 71 HB2 ARG 71 -10.356 1.625 8.957 556 HB3 ARG 71 HB3 ARG 71 -9.351 0.319 9.566 557 HG2 ARG 71 HG2 ARG 71 -7.363 1.471 8.967 558 HG3 ARG 71 HG3 ARG 71 -8.271 2.702 8.089 559 HD2 ARG 71 HD2 ARG 71 -8.474 2.191 11.054 560 HD3 ARG 71 HD3 ARG 71 -7.490 3.454 10.317 561 HE ARG 71 HE ARG 71 -10.255 3.557 9.547 562 HH11 ARG 71 HH11 ARG 71 -8.848 5.875 12.492 563 HH12 ARG 71 HH12 ARG 71 -7.921 4.517 11.948 564 HH21 ARG 71 HH21 ARG 71 -10.873 6.344 11.530 565 HH22 ARG 71 HH22 ARG 71 -11.481 5.343 10.255 566 H LYS 72 HN LYS 72 -11.480 1.868 6.833 567 HA LYS 72 HA LYS 72 -10.806 2.679 4.249 568 HB2 LYS 72 HB2 LYS 72 -12.235 4.670 5.909 569 HB3 LYS 72 HB3 LYS 72 -12.656 4.008 4.341 570 HG2 LYS 72 HG2 LYS 72 -12.990 2.566 6.962 571 HG3 LYS 72 HG3 LYS 72 -14.269 3.436 6.113 572 HD2 LYS 72 HD2 LYS 72 -13.968 1.951 4.183 573 HD3 LYS 72 HD3 LYS 72 -12.734 1.058 5.072 574 HE2 LYS 72 HE2 LYS 72 -14.414 0.516 6.796 575 HE3 LYS 72 HE3 LYS 72 -15.639 1.342 5.834 576 HZ1 LYS 72 HZ1 LYS 72 -14.086 -1.044 4.989 577 HZ2 LYS 72 HZ2 LYS 72 -15.241 -0.246 4.047 578 HZ3 LYS 72 HZ3 LYS 72 -15.708 -1.035 5.467 579 H GLY 73 HN GLY 73 -8.945 3.662 3.702 580 HA2 GLY 73 HA1 GLY 73 -7.350 5.337 3.643 581 HA3 GLY 73 HA2 GLY 73 -8.248 6.176 4.901 582 H ASN 74 HN ASN 74 -6.742 2.942 4.826 583 HA ASN 74 HA ASN 74 -5.678 3.340 7.455 584 HB2 ASN 74 HB2 ASN 74 -6.454 1.126 6.257 585 HB3 ASN 74 HB3 ASN 74 -4.785 1.091 5.696 586 HD21 ASN 74 HD21 ASN 74 -5.643 2.498 8.749 587 HD22 ASN 74 HD22 ASN 74 -4.969 1.259 9.744 588 H LEU 75 HN LEU 75 -3.432 3.139 8.006 589 HA LEU 75 HA LEU 75 -1.794 4.799 6.333 590 HB2 LEU 75 HB2 LEU 75 -1.332 3.475 8.993 591 HB3 LEU 75 HB3 LEU 75 -0.074 4.370 8.166 592 HG LEU 75 HG LEU 75 -2.673 5.451 9.250 593 HD11 LEU 75 HD11 LEU 75 -0.878 5.096 10.877 594 HD12 LEU 75 HD12 LEU 75 0.207 6.074 9.887 595 HD13 LEU 75 HD13 LEU 75 -1.210 6.812 10.637 596 HD21 LEU 75 HD21 LEU 75 -2.258 6.528 7.120 597 HD22 LEU 75 HD22 LEU 75 -1.902 7.648 8.434 598 HD23 LEU 75 HD23 LEU 75 -0.585 6.847 7.577 599 H LEU 76 HN LEU 76 -0.119 4.276 5.103 600 HA LEU 76 HA LEU 76 0.777 1.474 5.027 601 HB2 LEU 76 HB2 LEU 76 0.420 3.266 2.622 602 HB3 LEU 76 HB3 LEU 76 0.961 1.600 2.609 603 HG LEU 76 HG LEU 76 -1.805 2.566 3.338 604 HD11 LEU 76 HD11 LEU 76 -1.467 2.720 0.985 605 HD12 LEU 76 HD12 LEU 76 -0.688 1.139 0.933 606 HD13 LEU 76 HD13 LEU 76 -2.410 1.262 1.288 607 HD21 LEU 76 HD21 LEU 76 -1.199 0.611 4.655 608 HD22 LEU 76 HD22 LEU 76 -2.388 0.186 3.423 609 HD23 LEU 76 HD23 LEU 76 -0.691 -0.234 3.192 610 H PHE 77 HN PHE 77 2.963 1.172 4.736 611 HA PHE 77 HA PHE 77 4.588 3.628 4.576 612 HB2 PHE 77 HB2 PHE 77 5.105 1.085 6.134 613 HB3 PHE 77 HB3 PHE 77 6.315 2.340 5.891 614 HD1 PHE 77 HD1 PHE 77 6.247 4.379 7.120 615 HD2 PHE 77 HD2 PHE 77 3.105 1.534 7.488 616 HE1 PHE 77 HE1 PHE 77 5.397 5.581 9.090 617 HE2 PHE 77 HE2 PHE 77 2.247 2.731 9.459 618 HZ PHE 77 HZ PHE 77 3.395 4.771 10.256 619 H LEU 78 HN LEU 78 5.939 3.760 2.912 620 HA LEU 78 HA LEU 78 6.295 1.395 1.226 621 HB2 LEU 78 HB2 LEU 78 5.723 4.061 0.663 622 HB3 LEU 78 HB3 LEU 78 7.393 3.867 0.178 623 HG LEU 78 HG LEU 78 5.046 2.258 -0.813 624 HD11 LEU 78 HD11 LEU 78 5.639 3.329 -2.978 625 HD12 LEU 78 HD12 LEU 78 5.045 4.458 -1.759 626 HD13 LEU 78 HD13 LEU 78 6.771 4.360 -2.104 627 HD21 LEU 78 HD21 LEU 78 7.020 0.863 -0.683 628 HD22 LEU 78 HD22 LEU 78 6.662 1.250 -2.366 629 HD23 LEU 78 HD23 LEU 78 7.967 2.087 -1.525 630 H ALA 79 HN ALA 79 8.259 0.598 0.645 631 HA ALA 79 HA ALA 79 10.718 1.910 1.440 632 HB1 ALA 79 HB1 ALA 79 9.920 0.609 3.452 633 HB2 ALA 79 HB2 ALA 79 10.163 -0.853 2.495 634 HB3 ALA 79 HB3 ALA 79 11.532 0.196 2.866 635 H SER 80 HN SER 80 12.642 0.432 0.791 636 HA SER 80 HA SER 80 11.947 -1.314 -1.448 637 HB2 SER 80 HB2 SER 80 13.972 -0.139 -2.663 638 HB3 SER 80 HB3 SER 80 12.345 0.532 -2.766 639 HG SER 80 HG SER 80 14.557 1.419 -1.275 640 H TYR 81 HN TYR 81 13.678 -2.688 -2.161 641 HA TYR 81 HA TYR 81 15.000 -4.023 -0.160 642 HB2 TYR 81 HB2 TYR 81 15.075 -3.996 -3.061 643 HB3 TYR 81 HB3 TYR 81 16.614 -4.464 -2.354 644 HD1 TYR 81 HD1 TYR 81 13.051 -5.338 -2.659 645 HD2 TYR 81 HD2 TYR 81 16.861 -6.559 -1.213 646 HE1 TYR 81 HE1 TYR 81 12.182 -7.612 -2.305 647 HE2 TYR 81 HE2 TYR 81 16.003 -8.835 -0.853 648 HH TYR 81 HH TYR 81 13.068 -9.916 -2.134 649 H SER 82 HN SER 82 16.083 -1.237 -1.987 650 HA SER 82 HA SER 82 18.793 -1.353 -1.075 651 HB2 SER 82 HB2 SER 82 17.241 0.941 -2.300 652 HB3 SER 82 HB3 SER 82 18.989 0.898 -2.068 653 HG SER 82 HG SER 82 17.716 0.070 -4.155 654 H ILE 83 HN ILE 83 16.421 1.247 -0.525 655 HA ILE 83 HA ILE 83 17.420 1.442 2.243 656 HB ILE 83 HB ILE 83 16.399 3.705 0.523 657 HG12 ILE 83 HG12 ILE 83 18.592 2.908 -0.239 658 HG13 ILE 83 HG13 ILE 83 18.723 4.498 0.505 659 HG21 ILE 83 HG21 ILE 83 15.919 4.042 2.876 660 HG22 ILE 83 HG22 ILE 83 17.600 3.705 3.288 661 HG23 ILE 83 HG23 ILE 83 17.193 5.142 2.349 662 HD11 ILE 83 HD11 ILE 83 19.435 1.875 1.799 663 HD12 ILE 83 HD12 ILE 83 20.565 3.067 1.160 664 HD13 ILE 83 HD13 ILE 83 19.561 3.465 2.553 665 H GLY 84 HN GLY 84 15.954 1.315 3.835 666 HA2 GLY 84 HA1 GLY 84 13.323 2.259 3.753 667 HA3 GLY 84 HA2 GLY 84 13.287 0.561 3.302 668 H GLY 85 HN GLY 85 14.919 2.571 5.764 669 HA2 GLY 85 HA1 GLY 85 13.752 1.913 8.051 670 HA3 GLY 85 HA2 GLY 85 14.594 0.411 7.700 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -27.827 -10.754 3.433 2 H2 GLY 1 H2 GLY 1 -26.356 -10.970 2.628 3 H3 GLY 1 H3 GLY 1 -27.343 -9.652 2.243 4 HA2 GLY 1 HA2 GLY 1 -27.020 -8.717 4.444 5 HA3 GLY 1 HA1 GLY 1 -26.007 -10.093 4.857 6 H ALA 2 HN ALA 2 -24.038 -9.221 5.118 7 HA ALA 2 HA ALA 2 -23.050 -7.128 3.414 8 HB1 ALA 2 HB1 ALA 2 -22.435 -7.233 5.780 9 HB2 ALA 2 HB2 ALA 2 -21.608 -8.764 5.498 10 HB3 ALA 2 HB3 ALA 2 -21.012 -7.287 4.741 11 H MET 3 HN MET 3 -22.231 -7.441 1.461 12 HA MET 3 HA MET 3 -20.358 -9.577 0.961 13 HB2 MET 3 HB2 MET 3 -22.587 -10.642 0.585 14 HB3 MET 3 HB3 MET 3 -22.898 -9.456 -0.673 15 HG2 MET 3 HG2 MET 3 -22.178 -11.529 -1.657 16 HG3 MET 3 HG3 MET 3 -20.956 -10.286 -1.919 17 HE1 MET 3 HE1 MET 3 -20.370 -13.422 -2.307 18 HE2 MET 3 HE2 MET 3 -19.203 -12.130 -2.586 19 HE3 MET 3 HE3 MET 3 -18.771 -13.506 -1.569 20 H GLY 4 HN GLY 4 -21.881 -6.615 0.195 21 HA2 GLY 4 HA1 GLY 4 -20.130 -6.241 -2.147 22 HA3 GLY 4 HA2 GLY 4 -21.593 -5.322 -1.827 23 H ASP 5 HN ASP 5 -18.766 -4.501 -2.318 24 HA ASP 5 HA ASP 5 -18.667 -2.441 -0.322 25 HB2 ASP 5 HB2 ASP 5 -16.399 -2.959 0.490 26 HB3 ASP 5 HB3 ASP 5 -17.541 -4.231 0.908 27 H GLU 6 HN GLU 6 -17.538 -0.661 -1.014 28 HA GLU 6 HA GLU 6 -16.549 -0.798 -3.766 29 HB2 GLU 6 HB2 GLU 6 -17.029 1.695 -2.142 30 HB3 GLU 6 HB3 GLU 6 -16.874 1.560 -3.886 31 HG2 GLU 6 HG2 GLU 6 -19.132 0.430 -2.249 32 HG3 GLU 6 HG3 GLU 6 -19.187 1.927 -3.179 33 H GLU 7 HN GLU 7 -14.798 1.064 -4.111 34 HA GLU 7 HA GLU 7 -12.419 0.132 -2.994 35 HB2 GLU 7 HB2 GLU 7 -12.859 2.821 -4.257 36 HB3 GLU 7 HB3 GLU 7 -11.370 1.887 -4.204 37 HG2 GLU 7 HG2 GLU 7 -12.088 1.456 -6.299 38 HG3 GLU 7 HG3 GLU 7 -12.790 0.100 -5.451 39 H LEU 8 HN LEU 8 -10.952 1.097 -1.528 40 HA LEU 8 HA LEU 8 -12.102 3.170 0.214 41 HB2 LEU 8 HB2 LEU 8 -10.588 0.700 1.054 42 HB3 LEU 8 HB3 LEU 8 -10.917 2.050 2.123 43 HG LEU 8 HG LEU 8 -12.948 0.206 0.865 44 HD11 LEU 8 HD11 LEU 8 -13.432 -0.401 3.177 45 HD12 LEU 8 HD12 LEU 8 -11.747 -0.730 2.771 46 HD13 LEU 8 HD13 LEU 8 -12.161 0.690 3.735 47 HD21 LEU 8 HD21 LEU 8 -14.620 1.477 2.151 48 HD22 LEU 8 HD22 LEU 8 -13.373 2.643 2.592 49 HD23 LEU 8 HD23 LEU 8 -13.850 2.457 0.905 50 HA PRO 9 HA PRO 9 -8.384 5.410 -0.592 51 HB2 PRO 9 HB2 PRO 9 -8.669 6.549 2.114 52 HB3 PRO 9 HB3 PRO 9 -8.672 7.362 0.547 53 HG2 PRO 9 HG2 PRO 9 -10.917 7.085 1.982 54 HG3 PRO 9 HG3 PRO 9 -10.927 6.999 0.210 55 HD2 PRO 9 HD2 PRO 9 -11.042 4.779 2.215 56 HD3 PRO 9 HD3 PRO 9 -11.926 4.963 0.688 57 H LEU 10 HN LEU 10 -6.247 5.869 0.352 58 HA LEU 10 HA LEU 10 -5.381 4.273 2.607 59 HB2 LEU 10 HB2 LEU 10 -4.517 3.709 -0.221 60 HB3 LEU 10 HB3 LEU 10 -3.516 3.287 1.153 61 HG LEU 10 HG LEU 10 -6.343 2.310 0.869 62 HD11 LEU 10 HD11 LEU 10 -5.495 0.267 -0.079 63 HD12 LEU 10 HD12 LEU 10 -4.998 1.623 -1.091 64 HD13 LEU 10 HD13 LEU 10 -3.840 0.872 0.008 65 HD21 LEU 10 HD21 LEU 10 -4.042 1.115 2.392 66 HD22 LEU 10 HD22 LEU 10 -5.176 2.267 3.100 67 HD23 LEU 10 HD23 LEU 10 -5.754 0.710 2.508 68 H PHE 11 HN PHE 11 -3.049 4.624 3.037 69 HA PHE 11 HA PHE 11 -2.198 7.294 2.123 70 HB2 PHE 11 HB2 PHE 11 -2.256 6.128 4.893 71 HB3 PHE 11 HB3 PHE 11 -1.167 7.453 4.490 72 HD1 PHE 11 HD1 PHE 11 -4.309 6.631 5.765 73 HD2 PHE 11 HD2 PHE 11 -2.356 9.480 3.284 74 HE1 PHE 11 HE1 PHE 11 -6.133 8.230 6.172 75 HE2 PHE 11 HE2 PHE 11 -4.167 11.085 3.684 76 HZ PHE 11 HZ PHE 11 -6.061 10.454 5.193 77 H LEU 12 HN LEU 12 -0.192 7.420 1.351 78 HA LEU 12 HA LEU 12 1.587 5.119 1.808 79 HB2 LEU 12 HB2 LEU 12 1.134 6.907 -0.518 80 HB3 LEU 12 HB3 LEU 12 2.763 6.316 -0.261 81 HG LEU 12 HG LEU 12 1.452 4.934 -1.843 82 HD11 LEU 12 HD11 LEU 12 2.258 3.564 0.718 83 HD12 LEU 12 HD12 LEU 12 2.028 2.771 -0.840 84 HD13 LEU 12 HD13 LEU 12 3.318 3.956 -0.635 85 HD21 LEU 12 HD21 LEU 12 -0.330 3.507 -1.003 86 HD22 LEU 12 HD22 LEU 12 -0.193 4.253 0.590 87 HD23 LEU 12 HD23 LEU 12 -0.743 5.208 -0.786 88 H VAL 13 HN VAL 13 3.085 5.464 3.262 89 HA VAL 13 HA VAL 13 4.203 8.167 3.567 90 HB VAL 13 HB VAL 13 4.622 6.006 5.592 91 HG11 VAL 13 HG11 VAL 13 4.305 8.996 5.793 92 HG12 VAL 13 HG12 VAL 13 4.697 7.903 7.120 93 HG13 VAL 13 HG13 VAL 13 5.833 8.115 5.787 94 HG21 VAL 13 HG21 VAL 13 2.558 6.784 6.761 95 HG22 VAL 13 HG22 VAL 13 2.115 7.655 5.292 96 HG23 VAL 13 HG23 VAL 13 2.249 5.896 5.267 97 H GLU 14 HN GLU 14 6.045 8.354 2.445 98 HA GLU 14 HA GLU 14 7.682 6.179 1.693 99 HB2 GLU 14 HB2 GLU 14 7.758 9.119 1.447 100 HB3 GLU 14 HB3 GLU 14 9.320 8.321 1.397 101 HG2 GLU 14 HG2 GLU 14 6.992 7.573 -0.348 102 HG3 GLU 14 HG3 GLU 14 8.257 8.703 -0.819 103 H SER 15 HN SER 15 9.322 5.199 2.686 104 HA SER 15 HA SER 15 9.857 5.602 5.413 105 HB2 SER 15 HB2 SER 15 10.198 3.438 4.306 106 HB3 SER 15 HB3 SER 15 11.514 4.127 3.356 107 HG SER 15 HG SER 15 12.752 3.640 4.967 108 H GLY 16 HN GLY 16 11.822 6.387 2.553 109 HA2 GLY 16 HA1 GLY 16 13.980 7.497 3.932 110 HA3 GLY 16 HA2 GLY 16 13.531 7.897 2.280 111 H ASP 17 HN ASP 17 11.178 9.157 2.502 112 HA ASP 17 HA ASP 17 11.664 11.368 4.384 113 HB2 ASP 17 HB2 ASP 17 10.723 11.598 1.516 114 HB3 ASP 17 HB3 ASP 17 10.853 12.935 2.654 115 H GLU 18 HN GLU 18 10.115 11.023 5.868 116 HA GLU 18 HA GLU 18 7.591 9.902 5.393 117 HB2 GLU 18 HB2 GLU 18 7.016 10.600 7.625 118 HB3 GLU 18 HB3 GLU 18 8.682 10.042 7.618 119 HG2 GLU 18 HG2 GLU 18 7.904 12.931 7.425 120 HG3 GLU 18 HG3 GLU 18 8.236 12.113 8.950 121 H ALA 19 HN ALA 19 8.776 12.991 4.668 122 HA ALA 19 HA ALA 19 6.402 14.516 4.945 123 HB1 ALA 19 HB1 ALA 19 7.527 16.176 3.566 124 HB2 ALA 19 HB2 ALA 19 8.622 15.538 4.792 125 HB3 ALA 19 HB3 ALA 19 8.755 14.991 3.120 126 H LYS 20 HN LYS 20 7.606 12.382 2.462 127 HA LYS 20 HA LYS 20 5.832 13.288 0.419 128 HB2 LYS 20 HB2 LYS 20 7.146 10.584 0.500 129 HB3 LYS 20 HB3 LYS 20 6.704 11.540 -0.907 130 HG2 LYS 20 HG2 LYS 20 8.934 12.102 1.034 131 HG3 LYS 20 HG3 LYS 20 9.086 11.576 -0.643 132 HD2 LYS 20 HD2 LYS 20 7.953 13.687 -1.333 133 HD3 LYS 20 HD3 LYS 20 8.010 14.213 0.349 134 HE2 LYS 20 HE2 LYS 20 10.456 14.032 0.313 135 HE3 LYS 20 HE3 LYS 20 10.387 13.533 -1.377 136 HZ1 LYS 20 HZ1 LYS 20 9.470 16.149 -0.308 137 HZ2 LYS 20 HZ2 LYS 20 9.403 15.671 -1.929 138 HZ3 LYS 20 HZ3 LYS 20 10.901 15.881 -1.172 139 H ARG 21 HN ARG 21 3.695 13.075 0.660 140 HA ARG 21 HA ARG 21 2.665 10.512 1.676 141 HB2 ARG 21 HB2 ARG 21 1.892 13.318 2.247 142 HB3 ARG 21 HB3 ARG 21 0.587 12.151 2.105 143 HG2 ARG 21 HG2 ARG 21 2.955 11.813 3.922 144 HG3 ARG 21 HG3 ARG 21 1.407 12.498 4.426 145 HD2 ARG 21 HD2 ARG 21 0.280 10.427 3.832 146 HD3 ARG 21 HD3 ARG 21 1.804 9.746 3.258 147 HE ARG 21 HE ARG 21 2.580 9.927 5.610 148 HH11 ARG 21 HH11 ARG 21 -1.263 9.191 6.467 149 HH12 ARG 21 HH12 ARG 21 -0.836 9.825 4.912 150 HH21 ARG 21 HH21 ARG 21 0.361 8.775 8.025 151 HH22 ARG 21 HH22 ARG 21 2.022 9.092 7.655 152 H HIS 22 HN HIS 22 1.216 9.434 0.498 153 HA HIS 22 HA HIS 22 -0.027 10.761 -1.805 154 HB2 HIS 22 HB2 HIS 22 0.899 8.007 -2.321 155 HB3 HIS 22 HB3 HIS 22 0.931 9.422 -3.371 156 HD2 HIS 22 HD2 HIS 22 3.392 7.206 -1.800 157 HE1 HIS 22 HE1 HIS 22 5.181 11.029 -1.619 158 H LEU 23 HN LEU 23 -2.141 10.505 -1.599 159 HA LEU 23 HA LEU 23 -3.193 8.190 -0.155 160 HB2 LEU 23 HB2 LEU 23 -3.858 10.569 0.395 161 HB3 LEU 23 HB3 LEU 23 -4.694 10.607 -1.141 162 HG LEU 23 HG LEU 23 -5.336 8.642 1.056 163 HD11 LEU 23 HD11 LEU 23 -6.706 11.237 0.382 164 HD12 LEU 23 HD12 LEU 23 -7.237 10.058 1.582 165 HD13 LEU 23 HD13 LEU 23 -5.722 10.934 1.815 166 HD21 LEU 23 HD21 LEU 23 -7.512 8.532 -0.219 167 HD22 LEU 23 HD22 LEU 23 -6.698 9.402 -1.518 168 HD23 LEU 23 HD23 LEU 23 -6.118 7.811 -1.022 169 H LEU 24 HN LEU 24 -4.067 6.515 -1.199 170 HA LEU 24 HA LEU 24 -5.092 6.949 -3.924 171 HB2 LEU 24 HB2 LEU 24 -3.671 4.453 -3.056 172 HB3 LEU 24 HB3 LEU 24 -4.145 4.906 -4.675 173 HG LEU 24 HG LEU 24 -2.024 6.299 -3.040 174 HD11 LEU 24 HD11 LEU 24 -0.448 5.256 -4.577 175 HD12 LEU 24 HD12 LEU 24 -1.367 4.036 -3.697 176 HD13 LEU 24 HD13 LEU 24 -1.769 4.404 -5.374 177 HD21 LEU 24 HD21 LEU 24 -3.221 7.725 -4.676 178 HD22 LEU 24 HD22 LEU 24 -1.516 7.497 -5.067 179 HD23 LEU 24 HD23 LEU 24 -2.753 6.601 -5.949 180 H GLN 25 HN GLN 25 -7.011 6.124 -4.353 181 HA GLN 25 HA GLN 25 -8.438 4.725 -2.241 182 HB2 GLN 25 HB2 GLN 25 -10.461 5.262 -3.485 183 HB3 GLN 25 HB3 GLN 25 -9.490 6.686 -3.193 184 HG2 GLN 25 HG2 GLN 25 -10.052 5.280 -5.753 185 HG3 GLN 25 HG3 GLN 25 -10.191 6.988 -5.366 186 HE21 GLN 25 HE21 GLN 25 -8.092 4.448 -6.403 187 HE22 GLN 25 HE22 GLN 25 -6.724 5.424 -6.775 188 H VAL 26 HN VAL 26 -7.968 2.618 -2.299 189 HA VAL 26 HA VAL 26 -8.798 1.162 -4.704 190 HB VAL 26 HB VAL 26 -6.257 0.423 -3.238 191 HG11 VAL 26 HG11 VAL 26 -5.913 -1.060 -5.153 192 HG12 VAL 26 HG12 VAL 26 -7.401 -1.445 -4.288 193 HG13 VAL 26 HG13 VAL 26 -7.471 -0.563 -5.814 194 HG21 VAL 26 HG21 VAL 26 -5.070 1.238 -5.226 195 HG22 VAL 26 HG22 VAL 26 -6.592 1.855 -5.870 196 HG23 VAL 26 HG23 VAL 26 -5.922 2.535 -4.387 197 H ARG 27 HN ARG 27 -9.654 -0.885 -4.352 198 HA ARG 27 HA ARG 27 -11.083 -1.246 -1.995 199 HB2 ARG 27 HB2 ARG 27 -10.308 -3.514 -3.818 200 HB3 ARG 27 HB3 ARG 27 -11.757 -3.357 -2.839 201 HG2 ARG 27 HG2 ARG 27 -12.539 -1.563 -4.267 202 HG3 ARG 27 HG3 ARG 27 -11.053 -1.674 -5.210 203 HD2 ARG 27 HD2 ARG 27 -12.760 -2.861 -6.383 204 HD3 ARG 27 HD3 ARG 27 -11.628 -4.036 -5.731 205 HE ARG 27 HE ARG 27 -14.028 -3.462 -4.177 206 HH11 ARG 27 HH11 ARG 27 -13.304 -6.986 -5.938 207 HH12 ARG 27 HH12 ARG 27 -12.315 -5.617 -6.320 208 HH21 ARG 27 HH21 ARG 27 -15.020 -6.784 -4.435 209 HH22 ARG 27 HH22 ARG 27 -15.333 -5.261 -3.673 210 H ARG 28 HN ARG 28 -10.929 -2.722 -0.341 211 HA ARG 28 HA ARG 28 -8.322 -3.135 0.688 212 HB2 ARG 28 HB2 ARG 28 -9.672 -4.582 2.401 213 HB3 ARG 28 HB3 ARG 28 -9.797 -2.834 2.426 214 HG2 ARG 28 HG2 ARG 28 -11.931 -2.832 1.686 215 HG3 ARG 28 HG3 ARG 28 -11.739 -4.328 0.764 216 HD2 ARG 28 HD2 ARG 28 -11.480 -5.452 3.040 217 HD3 ARG 28 HD3 ARG 28 -12.146 -3.966 3.713 218 HE ARG 28 HE ARG 28 -13.898 -4.722 1.735 219 HH11 ARG 28 HH11 ARG 28 -14.083 -7.066 4.975 220 HH12 ARG 28 HH12 ARG 28 -12.649 -6.148 4.658 221 HH21 ARG 28 HH21 ARG 28 -15.866 -6.945 3.547 222 HH22 ARG 28 HH22 ARG 28 -15.789 -5.932 2.144 223 H SER 29 HN SER 29 -10.748 -5.150 -0.827 224 HA SER 29 HA SER 29 -9.416 -7.626 -0.426 225 HB2 SER 29 HB2 SER 29 -11.384 -6.801 -2.572 226 HB3 SER 29 HB3 SER 29 -10.947 -8.460 -2.172 227 HG SER 29 HG SER 29 -12.322 -8.395 -0.591 228 H SER 30 HN SER 30 -8.576 -4.948 -2.208 229 HA SER 30 HA SER 30 -7.536 -6.131 -4.565 230 HB2 SER 30 HB2 SER 30 -6.595 -3.650 -3.103 231 HB3 SER 30 HB3 SER 30 -6.186 -4.082 -4.761 232 HG SER 30 HG SER 30 -8.242 -3.701 -5.386 233 H SER 31 HN SER 31 -5.517 -7.013 -4.991 234 HA SER 31 HA SER 31 -4.131 -7.991 -2.651 235 HB2 SER 31 HB2 SER 31 -2.776 -9.274 -4.229 236 HB3 SER 31 HB3 SER 31 -4.486 -9.465 -4.599 237 HG SER 31 HG SER 31 -2.581 -7.860 -5.944 238 H VAL 32 HN VAL 32 -2.029 -7.504 -2.076 239 HA VAL 32 HA VAL 32 -1.137 -4.950 -2.188 240 HB VAL 32 HB VAL 32 0.945 -5.700 -1.388 241 HG11 VAL 32 HG11 VAL 32 0.394 -7.230 0.339 242 HG12 VAL 32 HG12 VAL 32 -1.049 -6.274 0.008 243 HG13 VAL 32 HG13 VAL 32 -0.921 -7.919 -0.613 244 HG21 VAL 32 HG21 VAL 32 1.593 -7.161 -3.202 245 HG22 VAL 32 HG22 VAL 32 1.778 -8.001 -1.662 246 HG23 VAL 32 HG23 VAL 32 0.395 -8.353 -2.698 247 H ALA 33 HN ALA 33 -0.767 -7.442 -4.601 248 HA ALA 33 HA ALA 33 1.289 -6.275 -6.129 249 HB1 ALA 33 HB1 ALA 33 0.656 -7.816 -7.865 250 HB2 ALA 33 HB2 ALA 33 0.574 -8.629 -6.303 251 HB3 ALA 33 HB3 ALA 33 -0.907 -8.094 -7.096 252 H GLN 34 HN GLN 34 -2.263 -5.903 -6.327 253 HA GLN 34 HA GLN 34 -2.060 -4.298 -8.690 254 HB2 GLN 34 HB2 GLN 34 -4.515 -3.891 -8.317 255 HB3 GLN 34 HB3 GLN 34 -4.034 -5.565 -8.549 256 HG2 GLN 34 HG2 GLN 34 -3.985 -5.772 -6.082 257 HG3 GLN 34 HG3 GLN 34 -4.790 -4.207 -5.999 258 HE21 GLN 34 HE21 GLN 34 -6.904 -4.015 -6.813 259 HE22 GLN 34 HE22 GLN 34 -7.919 -5.395 -7.036 260 H VAL 35 HN VAL 35 -2.722 -3.644 -5.271 261 HA VAL 35 HA VAL 35 -3.188 -0.911 -5.532 262 HB VAL 35 HB VAL 35 -1.905 -1.472 -3.026 263 HG11 VAL 35 HG11 VAL 35 -3.919 -0.681 -2.125 264 HG12 VAL 35 HG12 VAL 35 -3.796 0.136 -3.686 265 HG13 VAL 35 HG13 VAL 35 -4.849 -1.269 -3.504 266 HG21 VAL 35 HG21 VAL 35 -2.346 -3.815 -3.379 267 HG22 VAL 35 HG22 VAL 35 -3.452 -3.171 -2.168 268 HG23 VAL 35 HG23 VAL 35 -4.024 -3.453 -3.809 269 H LYS 36 HN LYS 36 -0.223 -2.771 -4.962 270 HA LYS 36 HA LYS 36 1.509 -0.549 -4.796 271 HB2 LYS 36 HB2 LYS 36 1.834 -3.489 -5.162 272 HB3 LYS 36 HB3 LYS 36 3.209 -2.434 -5.369 273 HG2 LYS 36 HG2 LYS 36 2.805 -3.502 -3.081 274 HG3 LYS 36 HG3 LYS 36 3.198 -1.799 -3.165 275 HD2 LYS 36 HD2 LYS 36 1.166 -1.137 -2.454 276 HD3 LYS 36 HD3 LYS 36 0.346 -2.484 -3.238 277 HE2 LYS 36 HE2 LYS 36 1.093 -3.989 -1.487 278 HE3 LYS 36 HE3 LYS 36 2.007 -2.688 -0.729 279 HZ1 LYS 36 HZ1 LYS 36 -0.944 -2.786 -1.041 280 HZ2 LYS 36 HZ2 LYS 36 -0.078 -1.513 -0.341 281 HZ3 LYS 36 HZ3 LYS 36 -0.088 -3.035 0.396 282 H ALA 37 HN ALA 37 0.194 -2.423 -7.444 283 HA ALA 37 HA ALA 37 2.012 -1.775 -9.459 284 HB1 ALA 37 HB1 ALA 37 0.136 -3.349 -9.780 285 HB2 ALA 37 HB2 ALA 37 -0.994 -1.996 -9.724 286 HB3 ALA 37 HB3 ALA 37 0.177 -2.113 -11.037 287 H MET 38 HN MET 38 -0.771 -0.059 -8.161 288 HA MET 38 HA MET 38 -0.558 2.238 -9.787 289 HB2 MET 38 HB2 MET 38 -1.633 2.162 -6.964 290 HB3 MET 38 HB3 MET 38 -2.077 3.275 -8.250 291 HG2 MET 38 HG2 MET 38 -2.936 1.234 -9.499 292 HG3 MET 38 HG3 MET 38 -2.777 0.373 -7.971 293 HE1 MET 38 HE1 MET 38 -5.354 -0.268 -7.971 294 HE2 MET 38 HE2 MET 38 -6.643 0.905 -8.242 295 HE3 MET 38 HE3 MET 38 -5.506 0.529 -9.538 296 H ILE 39 HN ILE 39 0.805 1.283 -6.667 297 HA ILE 39 HA ILE 39 2.014 3.679 -5.929 298 HB ILE 39 HB ILE 39 3.026 0.861 -5.502 299 HG12 ILE 39 HG12 ILE 39 0.834 1.188 -4.524 300 HG13 ILE 39 HG13 ILE 39 2.046 1.136 -3.247 301 HG21 ILE 39 HG21 ILE 39 4.245 1.857 -3.574 302 HG22 ILE 39 HG22 ILE 39 4.865 2.324 -5.159 303 HG23 ILE 39 HG23 ILE 39 3.871 3.451 -4.233 304 HD11 ILE 39 HD11 ILE 39 0.847 3.649 -4.377 305 HD12 ILE 39 HD12 ILE 39 0.344 2.861 -2.882 306 HD13 ILE 39 HD13 ILE 39 1.969 3.530 -3.023 307 H GLU 40 HN GLU 40 2.995 1.258 -8.273 308 HA GLU 40 HA GLU 40 5.614 2.284 -8.725 309 HB2 GLU 40 HB2 GLU 40 4.893 -0.040 -9.289 310 HB3 GLU 40 HB3 GLU 40 3.883 0.621 -10.567 311 HG2 GLU 40 HG2 GLU 40 5.935 1.590 -11.590 312 HG3 GLU 40 HG3 GLU 40 6.877 0.729 -10.374 313 H THR 41 HN THR 41 2.427 2.878 -10.036 314 HA THR 41 HA THR 41 3.225 4.401 -12.276 315 HB THR 41 HB THR 41 0.693 5.254 -11.097 316 HG1 THR 41 HG1 THR 41 0.346 2.698 -11.943 317 HG21 THR 41 HG21 THR 41 -0.151 4.598 -13.287 318 HG22 THR 41 HG22 THR 41 1.378 3.800 -13.651 319 HG23 THR 41 HG23 THR 41 1.324 5.551 -13.457 320 H LYS 42 HN LYS 42 3.026 5.145 -8.894 321 HA LYS 42 HA LYS 42 3.344 8.005 -9.464 322 HB2 LYS 42 HB2 LYS 42 2.460 6.498 -7.027 323 HB3 LYS 42 HB3 LYS 42 2.937 8.190 -6.934 324 HG2 LYS 42 HG2 LYS 42 0.728 8.499 -7.276 325 HG3 LYS 42 HG3 LYS 42 1.209 8.320 -8.966 326 HD2 LYS 42 HD2 LYS 42 0.810 5.840 -8.642 327 HD3 LYS 42 HD3 LYS 42 -0.030 6.278 -7.155 328 HE2 LYS 42 HE2 LYS 42 -1.574 7.673 -8.410 329 HE3 LYS 42 HE3 LYS 42 -0.713 7.312 -9.906 330 HZ1 LYS 42 HZ1 LYS 42 -2.706 5.966 -9.676 331 HZ2 LYS 42 HZ2 LYS 42 -2.138 5.329 -8.216 332 HZ3 LYS 42 HZ3 LYS 42 -1.323 4.990 -9.658 333 H THR 43 HN THR 43 5.115 5.266 -8.317 334 HA THR 43 HA THR 43 7.300 7.067 -7.479 335 HB THR 43 HB THR 43 8.126 5.322 -5.984 336 HG1 THR 43 HG1 THR 43 6.063 3.691 -5.783 337 HG21 THR 43 HG21 THR 43 6.162 5.277 -4.371 338 HG22 THR 43 HG22 THR 43 5.256 6.151 -5.606 339 HG23 THR 43 HG23 THR 43 6.705 6.869 -4.900 340 H GLY 44 HN GLY 44 6.492 3.995 -9.031 341 HA2 GLY 44 HA1 GLY 44 7.492 3.258 -11.043 342 HA3 GLY 44 HA2 GLY 44 8.881 4.279 -10.704 343 H ILE 45 HN ILE 45 7.655 2.341 -8.137 344 HA ILE 45 HA ILE 45 10.041 0.647 -8.300 345 HB ILE 45 HB ILE 45 8.119 0.805 -5.987 346 HG12 ILE 45 HG12 ILE 45 8.963 3.071 -6.570 347 HG13 ILE 45 HG13 ILE 45 9.498 2.520 -4.993 348 HG21 ILE 45 HG21 ILE 45 9.649 -1.080 -5.979 349 HG22 ILE 45 HG22 ILE 45 11.017 0.011 -6.189 350 HG23 ILE 45 HG23 ILE 45 10.070 0.064 -4.703 351 HD11 ILE 45 HD11 ILE 45 11.150 2.451 -7.508 352 HD12 ILE 45 HD12 ILE 45 11.262 3.672 -6.240 353 HD13 ILE 45 HD13 ILE 45 11.684 1.996 -5.889 354 H ILE 46 HN ILE 46 9.930 -1.529 -8.563 355 HA ILE 46 HA ILE 46 7.413 -2.649 -9.413 356 HB ILE 46 HB ILE 46 8.945 -4.801 -9.495 357 HG12 ILE 46 HG12 ILE 46 10.964 -2.548 -9.587 358 HG13 ILE 46 HG13 ILE 46 10.819 -3.723 -8.285 359 HG21 ILE 46 HG21 ILE 46 9.205 -2.491 -11.413 360 HG22 ILE 46 HG22 ILE 46 9.596 -4.174 -11.767 361 HG23 ILE 46 HG23 ILE 46 7.931 -3.712 -11.412 362 HD11 ILE 46 HD11 ILE 46 11.523 -4.348 -11.143 363 HD12 ILE 46 HD12 ILE 46 12.650 -4.265 -9.789 364 HD13 ILE 46 HD13 ILE 46 11.404 -5.513 -9.823 365 HA PRO 47 HA PRO 47 5.926 -4.470 -5.681 366 HB2 PRO 47 HB2 PRO 47 5.560 -6.923 -7.340 367 HB3 PRO 47 HB3 PRO 47 4.411 -6.086 -6.301 368 HG2 PRO 47 HG2 PRO 47 4.233 -5.830 -8.919 369 HG3 PRO 47 HG3 PRO 47 3.997 -4.419 -7.868 370 HD2 PRO 47 HD2 PRO 47 6.369 -5.183 -9.510 371 HD3 PRO 47 HD3 PRO 47 5.670 -3.578 -9.218 372 H GLU 48 HN GLU 48 7.759 -6.791 -7.658 373 HA GLU 48 HA GLU 48 8.544 -8.552 -5.694 374 HB2 GLU 48 HB2 GLU 48 10.416 -9.155 -7.160 375 HB3 GLU 48 HB3 GLU 48 8.914 -8.974 -8.056 376 HG2 GLU 48 HG2 GLU 48 9.619 -6.755 -8.789 377 HG3 GLU 48 HG3 GLU 48 11.123 -6.936 -7.888 378 H THR 49 HN THR 49 9.535 -5.308 -6.012 379 HA THR 49 HA THR 49 11.740 -5.788 -4.115 380 HB THR 49 HB THR 49 12.264 -4.861 -6.540 381 HG1 THR 49 HG1 THR 49 13.561 -3.379 -4.575 382 HG21 THR 49 HG21 THR 49 11.645 -2.330 -5.017 383 HG22 THR 49 HG22 THR 49 10.698 -2.960 -6.365 384 HG23 THR 49 HG23 THR 49 12.362 -2.441 -6.625 385 H GLN 50 HN GLN 50 8.787 -4.270 -4.737 386 HA GLN 50 HA GLN 50 8.996 -2.001 -3.063 387 HB2 GLN 50 HB2 GLN 50 7.042 -3.314 -4.728 388 HB3 GLN 50 HB3 GLN 50 6.320 -2.800 -3.219 389 HG2 GLN 50 HG2 GLN 50 7.352 -0.526 -3.682 390 HG3 GLN 50 HG3 GLN 50 7.662 -1.137 -5.308 391 HE21 GLN 50 HE21 GLN 50 5.951 -1.501 -6.697 392 HE22 GLN 50 HE22 GLN 50 4.363 -0.891 -6.397 393 H ILE 51 HN ILE 51 9.407 -2.227 -0.930 394 HA ILE 51 HA ILE 51 8.080 -4.381 0.540 395 HB ILE 51 HB ILE 51 10.148 -2.473 1.621 396 HG12 ILE 51 HG12 ILE 51 10.452 -5.030 0.077 397 HG13 ILE 51 HG13 ILE 51 11.318 -3.514 -0.120 398 HG21 ILE 51 HG21 ILE 51 8.726 -3.699 3.238 399 HG22 ILE 51 HG22 ILE 51 9.310 -5.215 2.553 400 HG23 ILE 51 HG23 ILE 51 10.435 -4.119 3.357 401 HD11 ILE 51 HD11 ILE 51 12.772 -5.210 0.797 402 HD12 ILE 51 HD12 ILE 51 12.506 -3.933 1.981 403 HD13 ILE 51 HD13 ILE 51 11.660 -5.474 2.142 404 H VAL 52 HN VAL 52 6.020 -3.696 0.942 405 HA VAL 52 HA VAL 52 5.656 -1.076 2.173 406 HB VAL 52 HB VAL 52 3.756 -3.003 0.840 407 HG11 VAL 52 HG11 VAL 52 1.931 -1.514 1.417 408 HG12 VAL 52 HG12 VAL 52 2.695 -2.169 2.863 409 HG13 VAL 52 HG13 VAL 52 3.033 -0.514 2.364 410 HG21 VAL 52 HG21 VAL 52 5.100 -1.410 -0.537 411 HG22 VAL 52 HG22 VAL 52 3.355 -1.204 -0.687 412 HG23 VAL 52 HG23 VAL 52 4.291 -0.086 0.304 413 H THR 53 HN THR 53 4.247 -0.986 4.102 414 HA THR 53 HA THR 53 4.015 -3.471 5.597 415 HB THR 53 HB THR 53 5.095 -1.618 7.451 416 HG1 THR 53 HG1 THR 53 7.196 -2.045 5.755 417 HG21 THR 53 HG21 THR 53 5.998 -4.230 6.281 418 HG22 THR 53 HG22 THR 53 5.353 -3.895 7.891 419 HG23 THR 53 HG23 THR 53 6.980 -3.367 7.464 420 H LEU 54 HN LEU 54 2.132 -3.547 6.432 421 HA LEU 54 HA LEU 54 0.563 -1.176 6.919 422 HB2 LEU 54 HB2 LEU 54 0.109 -4.021 6.590 423 HB3 LEU 54 HB3 LEU 54 -0.747 -3.405 7.986 424 HG LEU 54 HG LEU 54 -2.158 -3.391 6.033 425 HD11 LEU 54 HD11 LEU 54 -1.346 -0.631 6.924 426 HD12 LEU 54 HD12 LEU 54 -2.836 -1.017 6.061 427 HD13 LEU 54 HD13 LEU 54 -2.559 -1.667 7.677 428 HD21 LEU 54 HD21 LEU 54 0.012 -1.711 4.847 429 HD22 LEU 54 HD22 LEU 54 -0.656 -3.228 4.245 430 HD23 LEU 54 HD23 LEU 54 -1.627 -1.756 4.198 431 H ASN 55 HN ASN 55 -0.859 -2.052 9.203 432 HA ASN 55 HA ASN 55 0.696 -1.004 11.258 433 HB2 ASN 55 HB2 ASN 55 -1.090 -2.389 12.682 434 HB3 ASN 55 HB3 ASN 55 -1.522 -0.926 11.804 435 HD21 ASN 55 HD21 ASN 55 -2.548 -1.134 9.758 436 HD22 ASN 55 HD22 ASN 55 -3.456 -2.551 9.369 437 H GLY 56 HN GLY 56 2.674 -1.923 11.536 438 HA2 GLY 56 HA1 GLY 56 4.241 -3.389 12.323 439 HA3 GLY 56 HA2 GLY 56 2.936 -4.112 13.245 440 H LYS 57 HN LYS 57 2.215 -4.257 9.945 441 HA LYS 57 HA LYS 57 3.300 -7.004 9.827 442 HB2 LYS 57 HB2 LYS 57 0.658 -5.907 9.056 443 HB3 LYS 57 HB3 LYS 57 1.320 -7.196 8.072 444 HG2 LYS 57 HG2 LYS 57 -0.219 -7.896 9.935 445 HG3 LYS 57 HG3 LYS 57 1.343 -8.707 9.873 446 HD2 LYS 57 HD2 LYS 57 2.034 -7.800 11.814 447 HD3 LYS 57 HD3 LYS 57 1.225 -6.264 11.513 448 HE2 LYS 57 HE2 LYS 57 0.229 -7.408 13.412 449 HE3 LYS 57 HE3 LYS 57 -0.910 -7.273 12.075 450 HZ1 LYS 57 HZ1 LYS 57 -0.393 -9.572 11.474 451 HZ2 LYS 57 HZ2 LYS 57 -1.007 -9.466 13.046 452 HZ3 LYS 57 HZ3 LYS 57 0.651 -9.693 12.801 453 H ARG 58 HN ARG 58 3.948 -7.819 7.791 454 HA ARG 58 HA ARG 58 4.898 -5.742 5.962 455 HB2 ARG 58 HB2 ARG 58 5.697 -8.635 6.281 456 HB3 ARG 58 HB3 ARG 58 6.359 -7.561 5.060 457 HG2 ARG 58 HG2 ARG 58 6.747 -6.143 7.347 458 HG3 ARG 58 HG3 ARG 58 6.970 -7.800 7.900 459 HD2 ARG 58 HD2 ARG 58 8.340 -6.621 5.495 460 HD3 ARG 58 HD3 ARG 58 9.059 -6.680 7.104 461 HE ARG 58 HE ARG 58 8.172 -9.178 5.862 462 HH11 ARG 58 HH11 ARG 58 11.967 -8.353 6.842 463 HH12 ARG 58 HH12 ARG 58 10.766 -7.107 6.923 464 HH21 ARG 58 HH21 ARG 58 11.386 -10.467 6.174 465 HH22 ARG 58 HH22 ARG 58 9.745 -10.824 5.750 466 H LEU 59 HN LEU 59 4.459 -5.793 3.765 467 HA LEU 59 HA LEU 59 2.018 -7.194 3.064 468 HB2 LEU 59 HB2 LEU 59 3.605 -4.982 1.817 469 HB3 LEU 59 HB3 LEU 59 2.385 -5.819 0.888 470 HG LEU 59 HG LEU 59 1.683 -3.674 1.976 471 HD11 LEU 59 HD11 LEU 59 -0.064 -5.016 1.214 472 HD12 LEU 59 HD12 LEU 59 0.230 -6.248 2.442 473 HD13 LEU 59 HD13 LEU 59 -0.470 -4.696 2.900 474 HD21 LEU 59 HD21 LEU 59 1.651 -5.324 4.483 475 HD22 LEU 59 HD22 LEU 59 2.881 -4.114 4.114 476 HD23 LEU 59 HD23 LEU 59 1.198 -3.630 4.307 477 H GLU 60 HN GLU 60 2.004 -9.081 2.131 478 HA GLU 60 HA GLU 60 4.379 -9.986 0.660 479 HB2 GLU 60 HB2 GLU 60 2.125 -11.557 1.918 480 HB3 GLU 60 HB3 GLU 60 3.473 -12.262 1.041 481 HG2 GLU 60 HG2 GLU 60 4.998 -11.201 2.721 482 HG3 GLU 60 HG3 GLU 60 3.560 -10.764 3.642 483 H ASP 61 HN ASP 61 4.233 -10.785 -1.402 484 HA ASP 61 HA ASP 61 2.216 -9.792 -3.081 485 HB2 ASP 61 HB2 ASP 61 4.314 -11.919 -3.512 486 HB3 ASP 61 HB3 ASP 61 3.241 -11.359 -4.792 487 H GLY 62 HN GLY 62 0.419 -10.699 -3.995 488 HA2 GLY 62 HA1 GLY 62 -1.097 -12.419 -4.514 489 HA3 GLY 62 HA2 GLY 62 -0.214 -13.492 -3.438 490 H LYS 63 HN LYS 63 -0.223 -11.502 -1.258 491 HA LYS 63 HA LYS 63 -2.727 -12.266 -0.089 492 HB2 LYS 63 HB2 LYS 63 -0.242 -11.555 0.904 493 HB3 LYS 63 HB3 LYS 63 -1.251 -10.179 1.325 494 HG2 LYS 63 HG2 LYS 63 -1.231 -11.757 3.139 495 HG3 LYS 63 HG3 LYS 63 -2.841 -11.716 2.415 496 HD2 LYS 63 HD2 LYS 63 -2.589 -13.788 1.419 497 HD3 LYS 63 HD3 LYS 63 -0.830 -13.704 1.476 498 HE2 LYS 63 HE2 LYS 63 -1.564 -15.322 3.087 499 HE3 LYS 63 HE3 LYS 63 -0.961 -13.908 3.952 500 HZ1 LYS 63 HZ1 LYS 63 -3.277 -13.164 4.189 501 HZ2 LYS 63 HZ2 LYS 63 -3.001 -14.653 4.941 502 HZ3 LYS 63 HZ3 LYS 63 -3.808 -14.595 3.456 503 H MET 64 HN MET 64 -4.322 -10.812 0.758 504 HA MET 64 HA MET 64 -4.634 -8.435 -0.914 505 HB2 MET 64 HB2 MET 64 -6.862 -8.952 0.821 506 HB3 MET 64 HB3 MET 64 -6.808 -8.923 -0.927 507 HG2 MET 64 HG2 MET 64 -6.025 -11.306 0.726 508 HG3 MET 64 HG3 MET 64 -7.640 -11.050 0.073 509 HE1 MET 64 HE1 MET 64 -7.088 -9.783 -2.778 510 HE2 MET 64 HE2 MET 64 -7.105 -11.254 -3.751 511 HE3 MET 64 HE3 MET 64 -8.252 -11.059 -2.426 512 H MET 65 HN MET 65 -5.178 -6.419 0.011 513 HA MET 65 HA MET 65 -3.805 -5.838 2.418 514 HB2 MET 65 HB2 MET 65 -3.982 -3.714 1.710 515 HB3 MET 65 HB3 MET 65 -4.771 -4.364 0.285 516 HG2 MET 65 HG2 MET 65 -6.849 -3.750 0.970 517 HG3 MET 65 HG3 MET 65 -6.418 -3.731 2.673 518 HE1 MET 65 HE1 MET 65 -8.034 -1.316 0.827 519 HE2 MET 65 HE2 MET 65 -7.967 -1.507 2.579 520 HE3 MET 65 HE3 MET 65 -7.451 0.008 1.835 521 H ALA 66 HN ALA 66 -7.008 -6.766 1.631 522 HA ALA 66 HA ALA 66 -8.357 -5.901 3.958 523 HB1 ALA 66 HB1 ALA 66 -10.048 -7.612 3.297 524 HB2 ALA 66 HB2 ALA 66 -9.606 -6.510 1.992 525 HB3 ALA 66 HB3 ALA 66 -8.947 -8.146 2.025 526 H ASP 67 HN ASP 67 -6.349 -8.636 3.190 527 HA ASP 67 HA ASP 67 -7.079 -10.313 5.343 528 HB2 ASP 67 HB2 ASP 67 -5.821 -11.209 3.481 529 HB3 ASP 67 HB3 ASP 67 -4.491 -10.096 3.791 530 H TYR 68 HN TYR 68 -5.189 -7.443 5.137 531 HA TYR 68 HA TYR 68 -3.817 -7.918 7.651 532 HB2 TYR 68 HB2 TYR 68 -3.837 -5.530 5.792 533 HB3 TYR 68 HB3 TYR 68 -2.817 -5.684 7.221 534 HD1 TYR 68 HD1 TYR 68 -3.499 -7.091 3.872 535 HD2 TYR 68 HD2 TYR 68 -0.817 -6.971 7.170 536 HE1 TYR 68 HE1 TYR 68 -1.821 -8.289 2.536 537 HE2 TYR 68 HE2 TYR 68 0.873 -8.167 5.846 538 HH TYR 68 HH TYR 68 0.918 -9.708 3.882 539 H GLY 69 HN GLY 69 -6.850 -7.428 7.127 540 HA2 GLY 69 HA1 GLY 69 -8.599 -6.369 8.175 541 HA3 GLY 69 HA2 GLY 69 -7.576 -6.488 9.600 542 H ILE 70 HN ILE 70 -6.903 -4.589 6.697 543 HA ILE 70 HA ILE 70 -6.333 -2.281 8.244 544 HB ILE 70 HB ILE 70 -5.821 -1.182 6.221 545 HG12 ILE 70 HG12 ILE 70 -7.588 -1.427 4.728 546 HG13 ILE 70 HG13 ILE 70 -6.338 -2.422 3.999 547 HG21 ILE 70 HG21 ILE 70 -5.179 -4.102 5.889 548 HG22 ILE 70 HG22 ILE 70 -4.355 -2.767 5.082 549 HG23 ILE 70 HG23 ILE 70 -4.266 -2.927 6.837 550 HD11 ILE 70 HD11 ILE 70 -8.538 -3.459 3.894 551 HD12 ILE 70 HD12 ILE 70 -7.386 -4.422 4.818 552 HD13 ILE 70 HD13 ILE 70 -8.607 -3.465 5.657 553 H ARG 71 HN ARG 71 -7.332 -0.119 7.328 554 HA ARG 71 HA ARG 71 -10.258 -0.381 7.309 555 HB2 ARG 71 HB2 ARG 71 -10.358 1.633 8.742 556 HB3 ARG 71 HB3 ARG 71 -9.582 0.271 9.536 557 HG2 ARG 71 HG2 ARG 71 -7.412 1.234 9.164 558 HG3 ARG 71 HG3 ARG 71 -8.121 2.547 8.223 559 HD2 ARG 71 HD2 ARG 71 -9.339 3.308 10.202 560 HD3 ARG 71 HD3 ARG 71 -8.641 1.990 11.141 561 HE ARG 71 HE ARG 71 -6.426 3.107 10.513 562 HH11 ARG 71 HH11 ARG 71 -8.646 6.277 11.537 563 HH12 ARG 71 HH12 ARG 71 -9.420 4.819 11.012 564 HH21 ARG 71 HH21 ARG 71 -6.360 6.392 11.646 565 HH22 ARG 71 HH22 ARG 71 -5.401 5.020 11.204 566 H LYS 72 HN LYS 72 -11.323 1.708 6.610 567 HA LYS 72 HA LYS 72 -10.401 2.441 4.070 568 HB2 LYS 72 HB2 LYS 72 -12.020 4.536 4.844 569 HB3 LYS 72 HB3 LYS 72 -12.534 3.105 4.015 570 HG2 LYS 72 HG2 LYS 72 -12.393 3.175 6.966 571 HG3 LYS 72 HG3 LYS 72 -13.782 3.852 6.113 572 HD2 LYS 72 HD2 LYS 72 -14.374 1.822 5.210 573 HD3 LYS 72 HD3 LYS 72 -12.749 1.179 5.403 574 HE2 LYS 72 HE2 LYS 72 -14.240 0.102 6.983 575 HE3 LYS 72 HE3 LYS 72 -13.088 1.120 7.848 576 HZ1 LYS 72 HZ1 LYS 72 -15.292 1.416 8.738 577 HZ2 LYS 72 HZ2 LYS 72 -15.905 1.814 7.213 578 HZ3 LYS 72 HZ3 LYS 72 -14.803 2.845 7.975 579 H GLY 73 HN GLY 73 -8.949 3.859 3.408 580 HA2 GLY 73 HA1 GLY 73 -7.311 5.470 3.471 581 HA3 GLY 73 HA2 GLY 73 -8.336 6.306 4.630 582 H ASN 74 HN ASN 74 -6.617 3.188 4.799 583 HA ASN 74 HA ASN 74 -5.693 3.815 7.455 584 HB2 ASN 74 HB2 ASN 74 -6.364 1.495 6.463 585 HB3 ASN 74 HB3 ASN 74 -4.704 1.450 5.898 586 HD21 ASN 74 HD21 ASN 74 -5.826 2.949 8.861 587 HD22 ASN 74 HD22 ASN 74 -5.036 1.858 9.938 588 H LEU 75 HN LEU 75 -3.296 2.959 7.805 589 HA LEU 75 HA LEU 75 -1.624 4.747 6.179 590 HB2 LEU 75 HB2 LEU 75 -1.192 3.601 8.933 591 HB3 LEU 75 HB3 LEU 75 -0.012 4.574 8.078 592 HG LEU 75 HG LEU 75 -2.735 5.481 9.015 593 HD11 LEU 75 HD11 LEU 75 -1.422 6.953 10.483 594 HD12 LEU 75 HD12 LEU 75 -1.128 5.245 10.814 595 HD13 LEU 75 HD13 LEU 75 0.058 6.184 9.906 596 HD21 LEU 75 HD21 LEU 75 -0.579 6.993 7.540 597 HD22 LEU 75 HD22 LEU 75 -2.168 6.559 6.910 598 HD23 LEU 75 HD23 LEU 75 -2.031 7.706 8.243 599 H LEU 76 HN LEU 76 -0.030 4.008 4.939 600 HA LEU 76 HA LEU 76 0.967 1.275 5.348 601 HB2 LEU 76 HB2 LEU 76 0.416 2.426 2.619 602 HB3 LEU 76 HB3 LEU 76 0.884 0.782 3.010 603 HG LEU 76 HG LEU 76 -1.379 0.711 4.304 604 HD11 LEU 76 HD11 LEU 76 -3.050 2.185 3.671 605 HD12 LEU 76 HD12 LEU 76 -1.653 3.230 3.909 606 HD13 LEU 76 HD13 LEU 76 -2.143 2.773 2.278 607 HD21 LEU 76 HD21 LEU 76 -0.854 -0.619 2.322 608 HD22 LEU 76 HD22 LEU 76 -2.517 -0.034 2.280 609 HD23 LEU 76 HD23 LEU 76 -1.283 0.746 1.290 610 H PHE 77 HN PHE 77 3.110 1.256 5.511 611 HA PHE 77 HA PHE 77 4.628 3.613 4.723 612 HB2 PHE 77 HB2 PHE 77 5.385 1.130 6.276 613 HB3 PHE 77 HB3 PHE 77 6.524 2.411 5.876 614 HD1 PHE 77 HD1 PHE 77 6.904 4.033 7.447 615 HD2 PHE 77 HD2 PHE 77 3.162 2.002 7.456 616 HE1 PHE 77 HE1 PHE 77 6.246 5.260 9.475 617 HE2 PHE 77 HE2 PHE 77 2.497 3.230 9.484 618 HZ PHE 77 HZ PHE 77 4.042 4.860 10.496 619 H LEU 78 HN LEU 78 5.746 3.740 2.872 620 HA LEU 78 HA LEU 78 6.038 1.308 1.272 621 HB2 LEU 78 HB2 LEU 78 4.938 3.196 0.196 622 HB3 LEU 78 HB3 LEU 78 6.332 4.212 0.511 623 HG LEU 78 HG LEU 78 7.692 2.762 -0.973 624 HD11 LEU 78 HD11 LEU 78 5.054 1.439 -1.589 625 HD12 LEU 78 HD12 LEU 78 6.577 1.157 -2.431 626 HD13 LEU 78 HD13 LEU 78 6.408 0.699 -0.736 627 HD21 LEU 78 HD21 LEU 78 6.721 3.548 -3.067 628 HD22 LEU 78 HD22 LEU 78 5.203 3.898 -2.239 629 HD23 LEU 78 HD23 LEU 78 6.660 4.800 -1.827 630 H ALA 79 HN ALA 79 7.947 0.552 0.525 631 HA ALA 79 HA ALA 79 10.418 1.999 0.965 632 HB1 ALA 79 HB1 ALA 79 9.969 -0.675 2.292 633 HB2 ALA 79 HB2 ALA 79 11.471 0.248 2.283 634 HB3 ALA 79 HB3 ALA 79 10.053 0.877 3.123 635 H SER 80 HN SER 80 12.318 0.582 0.156 636 HA SER 80 HA SER 80 11.589 -1.438 -1.776 637 HB2 SER 80 HB2 SER 80 12.613 -0.234 -3.686 638 HB3 SER 80 HB3 SER 80 11.169 0.576 -3.080 639 HG SER 80 HG SER 80 13.835 1.267 -2.387 640 H TYR 81 HN TYR 81 13.312 -2.714 -2.430 641 HA TYR 81 HA TYR 81 15.438 -3.042 -0.700 642 HB2 TYR 81 HB2 TYR 81 14.884 -3.954 -3.459 643 HB3 TYR 81 HB3 TYR 81 16.502 -4.200 -2.823 644 HD1 TYR 81 HD1 TYR 81 12.951 -5.094 -2.462 645 HD2 TYR 81 HD2 TYR 81 16.913 -5.824 -1.097 646 HE1 TYR 81 HE1 TYR 81 12.179 -7.134 -1.327 647 HE2 TYR 81 HE2 TYR 81 16.152 -7.864 0.044 648 HH TYR 81 HH TYR 81 14.099 -8.822 0.930 649 H SER 82 HN SER 82 17.316 -2.044 -0.380 650 HA SER 82 HA SER 82 18.975 -0.499 -0.541 651 HB2 SER 82 HB2 SER 82 20.281 -0.551 -2.602 652 HB3 SER 82 HB3 SER 82 19.779 -2.182 -2.160 653 HG SER 82 HG SER 82 19.354 -1.965 -4.310 654 H ILE 83 HN ILE 83 18.146 1.468 -0.105 655 HA ILE 83 HA ILE 83 16.367 2.960 -1.608 656 HB ILE 83 HB ILE 83 18.588 4.011 0.150 657 HG12 ILE 83 HG12 ILE 83 17.117 2.427 1.317 658 HG13 ILE 83 HG13 ILE 83 16.884 4.066 1.915 659 HG21 ILE 83 HG21 ILE 83 17.154 6.000 0.397 660 HG22 ILE 83 HG22 ILE 83 17.708 5.767 -1.260 661 HG23 ILE 83 HG23 ILE 83 16.057 5.337 -0.813 662 HD11 ILE 83 HD11 ILE 83 15.091 2.630 -0.029 663 HD12 ILE 83 HD12 ILE 83 14.771 2.893 1.685 664 HD13 ILE 83 HD13 ILE 83 14.853 4.267 0.583 665 H GLY 84 HN GLY 84 19.881 2.762 -1.863 666 HA2 GLY 84 HA1 GLY 84 19.684 4.178 -4.439 667 HA3 GLY 84 HA2 GLY 84 20.894 4.672 -3.264 668 H GLY 85 HN GLY 85 22.575 4.210 -4.723 669 HA2 GLY 85 HA1 GLY 85 23.945 1.884 -4.442 670 HA3 GLY 85 HA2 GLY 85 22.879 1.551 -5.799
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