NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25230 | 2k75 | 15902 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 -10.677 0.211 -5.126 2 H2 SER 1 HT2 SER 1 -12.102 0.779 -4.397 3 H3 SER 1 HT3 SER 1 -11.741 -0.881 -4.384 4 HA SER 1 HA SER 1 -9.632 0.656 -3.236 5 HB2 SER 1 HB2 SER 1 -10.796 1.459 -1.287 6 HB3 SER 1 HB1 SER 1 -11.643 2.090 -2.695 7 HG SER 1 HG SER 1 -12.466 0.309 -0.777 8 H ASP 2 HN ASP 2 -10.591 -2.026 -4.148 9 HA ASP 2 HA ASP 2 -10.965 -3.638 -1.752 10 HB2 ASP 2 HB2 ASP 2 -10.413 -4.338 -4.649 11 HB3 ASP 2 HB1 ASP 2 -10.593 -5.554 -3.385 12 H LEU 3 HN LEU 3 -9.475 -5.447 -1.264 13 HA LEU 3 HA LEU 3 -6.799 -4.435 -0.856 14 HB2 LEU 3 HB2 LEU 3 -7.904 -5.805 0.856 15 HB3 LEU 3 HB1 LEU 3 -8.024 -7.155 -0.273 16 HG LEU 3 HG LEU 3 -5.572 -7.296 -0.397 17 HD11 LEU 3 HD11 LEU 3 -4.729 -5.136 -0.119 18 HD12 LEU 3 HD12 LEU 3 -4.369 -5.841 1.451 19 HD13 LEU 3 HD13 LEU 3 -5.772 -4.788 1.260 20 HD21 LEU 3 HD21 LEU 3 -6.797 -7.255 2.362 21 HD22 LEU 3 HD22 LEU 3 -5.155 -7.825 2.064 22 HD23 LEU 3 HD23 LEU 3 -6.524 -8.647 1.315 23 H VAL 4 HN VAL 4 -5.137 -4.666 -2.176 24 HA VAL 4 HA VAL 4 -4.972 -7.034 -3.978 25 HB VAL 4 HB VAL 4 -4.247 -5.569 -5.838 26 HG11 VAL 4 HG11 VAL 4 -6.639 -6.301 -5.526 27 HG12 VAL 4 HG12 VAL 4 -6.455 -4.811 -6.451 28 HG13 VAL 4 HG13 VAL 4 -6.955 -4.744 -4.761 29 HG21 VAL 4 HG21 VAL 4 -3.431 -3.614 -4.735 30 HG22 VAL 4 HG22 VAL 4 -4.940 -3.395 -3.848 31 HG23 VAL 4 HG23 VAL 4 -4.887 -3.099 -5.586 32 H LYS 5 HN LYS 5 -2.791 -7.274 -4.886 33 HA LYS 5 HA LYS 5 -0.764 -6.857 -2.821 34 HB2 LYS 5 HB2 LYS 5 -0.492 -8.097 -5.578 35 HB3 LYS 5 HB1 LYS 5 0.659 -8.227 -4.254 36 HG2 LYS 5 HG2 LYS 5 -2.205 -9.201 -4.098 37 HG3 LYS 5 HG1 LYS 5 -0.834 -10.236 -4.496 38 HD2 LYS 5 HD2 LYS 5 0.200 -9.360 -2.274 39 HD3 LYS 5 HD1 LYS 5 -1.438 -8.830 -1.891 40 HE2 LYS 5 HE2 LYS 5 -0.691 -11.664 -2.652 41 HE3 LYS 5 HE1 LYS 5 -0.939 -11.099 -1.000 42 HZ1 LYS 5 HZ1 LYS 5 -3.194 -10.419 -1.653 43 HZ2 LYS 5 HZ2 LYS 5 -2.947 -12.092 -1.820 44 HZ3 LYS 5 HZ3 LYS 5 -2.943 -11.088 -3.191 45 H ILE 6 HN ILE 6 1.345 -5.967 -3.317 46 HA ILE 6 HA ILE 6 1.211 -3.317 -4.349 47 HB ILE 6 HB ILE 6 3.596 -5.117 -3.775 48 HG12 ILE 6 HG12 ILE 6 2.509 -2.753 -2.211 49 HG13 ILE 6 HG11 ILE 6 2.057 -4.422 -1.868 50 HG21 ILE 6 HG21 ILE 6 4.782 -2.810 -3.683 51 HG22 ILE 6 HG22 ILE 6 3.410 -2.227 -4.626 52 HG23 ILE 6 HG23 ILE 6 4.445 -3.499 -5.271 53 HD11 ILE 6 HD11 ILE 6 3.917 -3.680 -0.412 54 HD12 ILE 6 HD12 ILE 6 4.892 -3.334 -1.840 55 HD13 ILE 6 HD13 ILE 6 4.423 -4.994 -1.474 56 H ARG 7 HN ARG 7 2.516 -6.315 -5.735 57 HA ARG 7 HA ARG 7 3.517 -5.138 -8.156 58 HB2 ARG 7 HB2 ARG 7 4.198 -7.379 -7.283 59 HB3 ARG 7 HB1 ARG 7 2.591 -7.995 -7.675 60 HG2 ARG 7 HG2 ARG 7 2.932 -7.497 -10.038 61 HG3 ARG 7 HG1 ARG 7 4.486 -6.745 -9.685 62 HD2 ARG 7 HD2 ARG 7 4.894 -8.997 -10.494 63 HD3 ARG 7 HD1 ARG 7 5.272 -8.942 -8.773 64 HE ARG 7 HE ARG 7 3.385 -10.325 -8.335 65 HH11 ARG 7 HH21 ARG 7 3.530 -9.266 -11.639 66 HH12 ARG 7 HH22 ARG 7 2.301 -10.369 -12.167 67 HH21 ARG 7 HH11 ARG 7 1.800 -11.754 -9.032 68 HH22 ARG 7 HH12 ARG 7 1.327 -11.769 -10.698 69 H ASP 8 HN ASP 8 0.342 -5.946 -7.092 70 HA ASP 8 HA ASP 8 -0.793 -6.180 -9.801 71 HB2 ASP 8 HB2 ASP 8 -2.044 -6.115 -7.036 72 HB3 ASP 8 HB1 ASP 8 -2.973 -6.279 -8.524 73 H VAL 9 HN VAL 9 0.284 -3.628 -8.001 74 HA VAL 9 HA VAL 9 -1.862 -1.730 -8.233 75 HB VAL 9 HB VAL 9 1.140 -1.337 -7.990 76 HG11 VAL 9 HG11 VAL 9 -1.168 0.619 -7.932 77 HG12 VAL 9 HG12 VAL 9 0.288 0.689 -8.926 78 HG13 VAL 9 HG13 VAL 9 0.390 0.980 -7.189 79 HG21 VAL 9 HG21 VAL 9 0.652 -0.948 -5.647 80 HG22 VAL 9 HG22 VAL 9 -0.099 -2.477 -6.105 81 HG23 VAL 9 HG23 VAL 9 -1.084 -1.022 -5.950 82 H SER 10 HN SER 10 -2.544 -0.603 -9.906 83 HA SER 10 HA SER 10 -0.845 0.122 -12.159 84 HB2 SER 10 HB2 SER 10 -2.326 -1.016 -13.839 85 HB3 SER 10 HB1 SER 10 -1.358 -2.124 -12.872 86 HG SER 10 HG SER 10 -3.236 -2.323 -11.497 87 H LEU 11 HN LEU 11 -2.146 1.343 -13.803 88 HA LEU 11 HA LEU 11 -3.769 3.334 -12.520 89 HB2 LEU 11 HB2 LEU 11 -3.310 2.708 -15.461 90 HB3 LEU 11 HB1 LEU 11 -4.159 4.136 -14.879 91 HG LEU 11 HG LEU 11 -1.328 3.418 -14.056 92 HD11 LEU 11 HD11 LEU 11 -0.772 5.403 -15.596 93 HD12 LEU 11 HD12 LEU 11 -2.377 5.167 -16.288 94 HD13 LEU 11 HD13 LEU 11 -1.178 3.878 -16.385 95 HD21 LEU 11 HD21 LEU 11 -2.128 4.898 -12.427 96 HD22 LEU 11 HD22 LEU 11 -3.192 5.740 -13.551 97 HD23 LEU 11 HD23 LEU 11 -1.456 6.022 -13.597 98 H SER 12 HN SER 12 -4.466 0.303 -13.995 99 HA SER 12 HA SER 12 -7.172 0.690 -14.798 100 HB2 SER 12 HB2 SER 12 -5.633 -1.342 -15.204 101 HB3 SER 12 HB1 SER 12 -6.107 -1.877 -13.594 102 HG SER 12 HG SER 12 -8.200 -2.004 -14.260 103 H THR 13 HN THR 13 -5.700 0.490 -11.684 104 HA THR 13 HA THR 13 -8.415 0.396 -10.389 105 HB THR 13 HB THR 13 -7.420 -0.776 -8.520 106 HG1 THR 13 HG1 THR 13 -5.004 -1.209 -9.769 107 HG21 THR 13 HG21 THR 13 -8.138 -2.053 -10.586 108 HG22 THR 13 HG22 THR 13 -6.972 -2.890 -9.562 109 HG23 THR 13 HG23 THR 13 -6.438 -2.110 -11.051 110 HA PRO 14 HA PRO 14 -6.387 4.547 -9.632 111 HB2 PRO 14 HB2 PRO 14 -9.296 5.104 -9.126 112 HB3 PRO 14 HB1 PRO 14 -8.107 6.058 -10.038 113 HG2 PRO 14 HG2 PRO 14 -9.965 4.610 -11.285 114 HG3 PRO 14 HG1 PRO 14 -8.321 4.757 -11.934 115 HD2 PRO 14 HD2 PRO 14 -9.592 2.433 -10.533 116 HD3 PRO 14 HD1 PRO 14 -8.378 2.442 -11.831 117 H TYR 15 HN TYR 15 -8.965 2.908 -7.820 118 HA TYR 15 HA TYR 15 -7.781 3.927 -5.259 119 HB2 TYR 15 HB2 TYR 15 -10.597 2.977 -5.869 120 HB3 TYR 15 HB1 TYR 15 -10.010 3.456 -4.276 121 HD1 TYR 15 HD2 TYR 15 -8.844 5.814 -4.146 122 HD2 TYR 15 HD1 TYR 15 -11.552 4.615 -7.259 123 HE1 TYR 15 HE2 TYR 15 -9.284 8.196 -4.682 124 HE2 TYR 15 HE1 TYR 15 -11.991 6.995 -7.794 125 HH TYR 15 HH TYR 15 -10.543 9.257 -7.435 126 H VAL 16 HN VAL 16 -6.788 2.464 -4.048 127 HA VAL 16 HA VAL 16 -7.688 -0.353 -4.034 128 HB VAL 16 HB VAL 16 -5.338 -1.143 -4.396 129 HG11 VAL 16 HG11 VAL 16 -5.477 -1.035 -6.787 130 HG12 VAL 16 HG12 VAL 16 -6.389 0.474 -6.728 131 HG13 VAL 16 HG13 VAL 16 -7.135 -1.031 -6.190 132 HG21 VAL 16 HG21 VAL 16 -4.186 0.979 -3.866 133 HG22 VAL 16 HG22 VAL 16 -4.917 1.732 -5.284 134 HG23 VAL 16 HG23 VAL 16 -3.757 0.419 -5.482 135 H SER 17 HN SER 17 -6.706 -1.598 -2.353 136 HA SER 17 HA SER 17 -5.668 0.042 -0.064 137 HB2 SER 17 HB2 SER 17 -7.889 -0.733 0.471 138 HB3 SER 17 HB1 SER 17 -7.513 -2.364 -0.073 139 HG SER 17 HG SER 17 -5.952 -1.132 1.914 140 H VAL 18 HN VAL 18 -3.803 -0.623 0.812 141 HA VAL 18 HA VAL 18 -2.754 -3.346 0.151 142 HB VAL 18 HB VAL 18 -0.519 -2.352 -0.235 143 HG11 VAL 18 HG11 VAL 18 -2.591 -1.065 -2.030 144 HG12 VAL 18 HG12 VAL 18 -2.192 -2.782 -2.091 145 HG13 VAL 18 HG13 VAL 18 -0.960 -1.577 -2.465 146 HG21 VAL 18 HG21 VAL 18 -0.309 0.079 -0.561 147 HG22 VAL 18 HG22 VAL 18 -0.856 -0.268 1.079 148 HG23 VAL 18 HG23 VAL 18 -2.006 0.297 -0.133 149 H ILE 19 HN ILE 19 -0.992 -3.994 1.555 150 HA ILE 19 HA ILE 19 -0.812 -2.585 4.169 151 HB ILE 19 HB ILE 19 -2.608 -4.312 4.355 152 HG12 ILE 19 HG12 ILE 19 -0.106 -5.106 5.873 153 HG13 ILE 19 HG11 ILE 19 -1.049 -3.665 6.253 154 HG21 ILE 19 HG21 ILE 19 -1.518 -5.853 2.646 155 HG22 ILE 19 HG22 ILE 19 -2.106 -6.646 4.108 156 HG23 ILE 19 HG23 ILE 19 -0.383 -6.320 3.914 157 HD11 ILE 19 HD11 ILE 19 -3.023 -5.014 6.702 158 HD12 ILE 19 HD12 ILE 19 -1.678 -5.641 7.655 159 HD13 ILE 19 HD13 ILE 19 -2.183 -6.476 6.186 160 H GLY 20 HN GLY 20 1.185 -2.652 5.012 161 HA2 GLY 20 HA2 GLY 20 3.094 -4.712 4.779 162 HA3 GLY 20 HA1 GLY 20 3.393 -3.601 3.445 163 H LYS 21 HN LYS 21 5.467 -3.369 4.623 164 HA LYS 21 HA LYS 21 5.286 -1.424 6.908 165 HB2 LYS 21 HB2 LYS 21 7.473 -2.186 7.582 166 HB3 LYS 21 HB1 LYS 21 6.431 -3.595 7.393 167 HG2 LYS 21 HG2 LYS 21 7.361 -3.850 5.049 168 HG3 LYS 21 HG1 LYS 21 8.530 -2.595 5.445 169 HD2 LYS 21 HD2 LYS 21 8.187 -5.132 7.067 170 HD3 LYS 21 HD1 LYS 21 9.387 -4.946 5.788 171 HE2 LYS 21 HE2 LYS 21 10.170 -2.847 7.064 172 HE3 LYS 21 HE1 LYS 21 9.209 -3.456 8.409 173 HZ1 LYS 21 HZ1 LYS 21 10.463 -5.495 8.369 174 HZ2 LYS 21 HZ2 LYS 21 11.518 -4.174 8.529 175 HZ3 LYS 21 HZ3 LYS 21 11.360 -4.962 7.032 176 H ILE 22 HN ILE 22 6.196 0.514 6.703 177 HA ILE 22 HA ILE 22 7.330 1.259 4.051 178 HB ILE 22 HB ILE 22 6.307 2.903 6.384 179 HG12 ILE 22 HG12 ILE 22 4.658 3.625 4.587 180 HG13 ILE 22 HG11 ILE 22 5.319 2.346 3.571 181 HG21 ILE 22 HG21 ILE 22 6.620 4.818 4.725 182 HG22 ILE 22 HG22 ILE 22 7.664 3.723 3.819 183 HG23 ILE 22 HG23 ILE 22 8.084 4.181 5.467 184 HD11 ILE 22 HD11 ILE 22 3.198 1.868 5.053 185 HD12 ILE 22 HD12 ILE 22 4.373 1.665 6.348 186 HD13 ILE 22 HD13 ILE 22 4.456 0.646 4.910 187 H THR 23 HN THR 23 9.398 1.901 3.797 188 HA THR 23 HA THR 23 11.119 2.216 6.231 189 HB THR 23 HB THR 23 12.894 0.970 5.131 190 HG1 THR 23 HG1 THR 23 11.252 1.303 2.983 191 HG21 THR 23 HG21 THR 23 11.452 -0.391 6.466 192 HG22 THR 23 HG22 THR 23 11.731 -1.283 4.970 193 HG23 THR 23 HG23 THR 23 10.212 -0.421 5.213 194 H GLY 24 HN GLY 24 13.028 3.445 5.867 195 HA2 GLY 24 HA2 GLY 24 14.143 5.360 5.157 196 HA3 GLY 24 HA1 GLY 24 13.779 4.815 3.519 197 H ILE 25 HN ILE 25 12.856 6.919 6.119 198 HA ILE 25 HA ILE 25 10.499 7.953 4.639 199 HB ILE 25 HB ILE 25 11.597 8.929 7.292 200 HG12 ILE 25 HG12 ILE 25 11.205 6.546 7.541 201 HG13 ILE 25 HG11 ILE 25 9.852 7.394 8.285 202 HG21 ILE 25 HG21 ILE 25 9.291 9.704 7.608 203 HG22 ILE 25 HG22 ILE 25 8.825 8.997 6.061 204 HG23 ILE 25 HG23 ILE 25 9.943 10.360 6.105 205 HD11 ILE 25 HD11 ILE 25 8.719 7.148 5.939 206 HD12 ILE 25 HD12 ILE 25 8.777 5.757 7.014 207 HD13 ILE 25 HD13 ILE 25 9.927 5.891 5.683 208 H HIS 26 HN HIS 26 10.671 9.620 3.318 209 HA HIS 26 HA HIS 26 12.982 11.515 3.619 210 HB2 HIS 26 HB2 HIS 26 11.621 10.543 1.090 211 HB3 HIS 26 HB1 HIS 26 12.826 11.831 1.158 212 HD1 HIS 26 HD1 HIS 26 15.269 11.154 1.861 213 HD2 HIS 26 HD2 HIS 26 12.673 7.935 1.337 214 HE1 HIS 26 HE1 HIS 26 16.714 9.075 1.774 215 H LYS 27 HN LYS 27 12.534 13.631 3.579 216 HA LYS 27 HA LYS 27 9.651 14.436 3.502 217 HB2 LYS 27 HB2 LYS 27 10.882 14.817 5.631 218 HB3 LYS 27 HB1 LYS 27 12.017 15.854 4.765 219 HG2 LYS 27 HG2 LYS 27 10.209 17.375 4.142 220 HG3 LYS 27 HG1 LYS 27 9.021 16.310 4.894 221 HD2 LYS 27 HD2 LYS 27 10.126 16.639 7.087 222 HD3 LYS 27 HD1 LYS 27 11.283 17.734 6.331 223 HE2 LYS 27 HE2 LYS 27 8.283 18.165 6.278 224 HE3 LYS 27 HE1 LYS 27 9.357 18.902 7.467 225 HZ1 LYS 27 HZ1 LYS 27 10.119 20.365 5.983 226 HZ2 LYS 27 HZ2 LYS 27 8.739 19.970 5.073 227 HZ3 LYS 27 HZ3 LYS 27 10.226 19.218 4.738 228 H LYS 28 HN LYS 28 8.980 15.865 2.045 229 HA LYS 28 HA LYS 28 10.921 17.555 0.562 230 HB2 LYS 28 HB2 LYS 28 10.602 15.434 -0.743 231 HB3 LYS 28 HB1 LYS 28 8.881 15.810 -0.850 232 HG2 LYS 28 HG2 LYS 28 9.366 17.897 -2.013 233 HG3 LYS 28 HG1 LYS 28 11.099 17.638 -1.816 234 HD2 LYS 28 HD2 LYS 28 10.935 15.574 -3.172 235 HD3 LYS 28 HD1 LYS 28 9.208 15.859 -3.385 236 HE2 LYS 28 HE2 LYS 28 10.200 16.748 -5.348 237 HE3 LYS 28 HE1 LYS 28 9.884 18.159 -4.339 238 HZ1 LYS 28 HZ1 LYS 28 12.388 17.133 -3.641 239 HZ2 LYS 28 HZ2 LYS 28 12.033 18.620 -4.384 240 HZ3 LYS 28 HZ3 LYS 28 12.341 17.245 -5.333 241 H GLU 29 HN GLU 29 9.920 19.338 -0.481 242 HA GLU 29 HA GLU 29 7.139 19.955 0.470 243 HB2 GLU 29 HB2 GLU 29 9.562 21.771 0.302 244 HB3 GLU 29 HB1 GLU 29 7.914 22.337 0.587 245 HG2 GLU 29 HG2 GLU 29 7.754 20.982 2.611 246 HG3 GLU 29 HG1 GLU 29 9.356 20.305 2.315 247 H TYR 30 HN TYR 30 5.807 21.003 -0.930 248 HA TYR 30 HA TYR 30 6.820 21.786 -3.613 249 HB2 TYR 30 HB2 TYR 30 5.163 20.467 -4.775 250 HB3 TYR 30 HB1 TYR 30 6.083 19.388 -3.731 251 HD1 TYR 30 HD1 TYR 30 5.090 19.086 -1.276 252 HD2 TYR 30 HD2 TYR 30 2.824 20.362 -4.697 253 HE1 TYR 30 HE1 TYR 30 2.996 18.379 -0.157 254 HE2 TYR 30 HE2 TYR 30 0.732 19.651 -3.576 255 HH TYR 30 HH TYR 30 0.200 17.834 -1.661 256 H GLU 31 HN GLU 31 5.288 23.081 -4.786 257 HA GLU 31 HA GLU 31 3.700 24.805 -3.000 258 HB2 GLU 31 HB2 GLU 31 4.449 25.004 -5.936 259 HB3 GLU 31 HB1 GLU 31 3.447 26.191 -5.098 260 HG2 GLU 31 HG2 GLU 31 5.243 26.660 -3.517 261 HG3 GLU 31 HG1 GLU 31 6.244 25.397 -4.232 262 H SER 32 HN SER 32 1.668 24.298 -2.618 263 HA SER 32 HA SER 32 0.026 22.991 -4.763 264 HB2 SER 32 HB2 SER 32 0.431 21.747 -2.549 265 HB3 SER 32 HB1 SER 32 -0.596 22.969 -1.804 266 HG SER 32 HG SER 32 -1.259 20.843 -3.353 267 H ASP 33 HN ASP 33 -1.195 24.456 -5.712 268 HA ASP 33 HA ASP 33 -2.620 26.259 -6.084 269 HB2 ASP 33 HB2 ASP 33 -3.994 24.825 -4.522 270 HB3 ASP 33 HB1 ASP 33 -3.439 25.855 -3.201 271 H GLY 34 HN GLY 34 0.083 26.738 -5.031 272 HA2 GLY 34 HA2 GLY 34 1.228 28.802 -4.752 273 HA3 GLY 34 HA1 GLY 34 -0.295 29.572 -4.309 274 H THR 35 HN THR 35 -0.101 26.730 -2.617 275 HA THR 35 HA THR 35 1.137 28.080 -0.235 276 HB THR 35 HB THR 35 -1.092 26.021 -0.279 277 HG1 THR 35 HG1 THR 35 -2.306 27.859 0.457 278 HG21 THR 35 HG21 THR 35 -1.245 26.648 2.137 279 HG22 THR 35 HG22 THR 35 0.213 27.620 1.939 280 HG23 THR 35 HG23 THR 35 0.283 25.871 1.725 281 H THR 36 HN THR 36 2.839 27.113 0.580 282 HA THR 36 HA THR 36 3.953 24.709 -0.543 283 HB THR 36 HB THR 36 4.733 26.093 2.043 284 HG1 THR 36 HG1 THR 36 4.987 27.645 0.589 285 HG21 THR 36 HG21 THR 36 6.308 24.377 0.105 286 HG22 THR 36 HG22 THR 36 5.691 23.833 1.664 287 HG23 THR 36 HG23 THR 36 6.923 25.092 1.595 288 H LYS 37 HN LYS 37 3.662 22.672 0.030 289 HA LYS 37 HA LYS 37 2.488 22.024 2.701 290 HB2 LYS 37 HB2 LYS 37 1.698 20.876 0.005 291 HB3 LYS 37 HB1 LYS 37 1.175 20.222 1.556 292 HG2 LYS 37 HG2 LYS 37 0.733 23.136 0.909 293 HG3 LYS 37 HG1 LYS 37 -0.391 21.914 0.322 294 HD2 LYS 37 HD2 LYS 37 -0.709 21.110 2.650 295 HD3 LYS 37 HD1 LYS 37 0.364 22.376 3.228 296 HE2 LYS 37 HE2 LYS 37 -1.129 24.097 2.337 297 HE3 LYS 37 HE1 LYS 37 -2.205 22.849 1.706 298 HZ1 LYS 37 HZ1 LYS 37 -2.197 22.030 4.140 299 HZ2 LYS 37 HZ2 LYS 37 -3.163 23.363 3.718 300 HZ3 LYS 37 HZ3 LYS 37 -1.676 23.603 4.503 301 H SER 38 HN SER 38 3.346 20.292 3.697 302 HA SER 38 HA SER 38 5.834 19.201 2.574 303 HB2 SER 38 HB2 SER 38 4.484 19.039 5.268 304 HB3 SER 38 HB1 SER 38 5.858 18.007 4.873 305 HG SER 38 HG SER 38 6.318 20.552 4.113 306 H VAL 39 HN VAL 39 6.198 17.132 2.015 307 HA VAL 39 HA VAL 39 3.988 15.143 2.231 308 HB VAL 39 HB VAL 39 4.016 16.283 -0.048 309 HG11 VAL 39 HG11 VAL 39 6.560 16.362 -0.144 310 HG12 VAL 39 HG12 VAL 39 5.766 15.763 -1.598 311 HG13 VAL 39 HG13 VAL 39 6.517 14.631 -0.475 312 HG21 VAL 39 HG21 VAL 39 3.889 14.072 -1.254 313 HG22 VAL 39 HG22 VAL 39 2.947 14.138 0.235 314 HG23 VAL 39 HG23 VAL 39 4.502 13.306 0.211 315 H TYR 40 HN TYR 40 4.672 13.171 2.756 316 HA TYR 40 HA TYR 40 7.606 12.745 3.102 317 HB2 TYR 40 HB2 TYR 40 5.210 11.324 4.311 318 HB3 TYR 40 HB1 TYR 40 6.894 10.896 4.613 319 HD1 TYR 40 HD1 TYR 40 4.295 13.479 5.119 320 HD2 TYR 40 HD2 TYR 40 8.330 12.282 5.980 321 HE1 TYR 40 HE1 TYR 40 4.438 15.223 6.878 322 HE2 TYR 40 HE2 TYR 40 8.472 14.025 7.739 323 HH TYR 40 HH TYR 40 6.984 16.472 8.025 324 H GLN 41 HN GLN 41 8.644 11.250 1.973 325 HA GLN 41 HA GLN 41 7.073 9.351 0.256 326 HB2 GLN 41 HB2 GLN 41 9.648 10.839 -0.348 327 HB3 GLN 41 HB1 GLN 41 9.022 9.513 -1.329 328 HG2 GLN 41 HG2 GLN 41 6.954 10.755 -1.746 329 HG3 GLN 41 HG1 GLN 41 7.510 12.068 -0.709 330 HE21 GLN 41 HE21 GLN 41 7.377 11.063 -3.933 331 HE22 GLN 41 HE22 GLN 41 8.598 12.060 -4.564 332 H GLY 42 HN GLY 42 7.977 7.308 -0.055 333 HA2 GLY 42 HA2 GLY 42 10.465 6.450 1.106 334 HA3 GLY 42 HA1 GLY 42 9.135 6.075 2.199 335 H TYR 43 HN TYR 43 10.115 3.893 1.611 336 HA TYR 43 HA TYR 43 8.770 2.759 -0.820 337 HB2 TYR 43 HB2 TYR 43 11.320 1.930 0.601 338 HB3 TYR 43 HB1 TYR 43 10.529 0.960 -0.642 339 HD1 TYR 43 HD2 TYR 43 12.079 4.288 0.021 340 HD2 TYR 43 HD1 TYR 43 10.781 1.467 -2.949 341 HE1 TYR 43 HE2 TYR 43 13.174 5.642 -1.746 342 HE2 TYR 43 HE1 TYR 43 11.876 2.821 -4.714 343 HH TYR 43 HH TYR 43 12.626 5.804 -4.543 344 H ILE 44 HN ILE 44 7.558 0.955 -0.576 345 HA ILE 44 HA ILE 44 7.195 -0.133 2.190 346 HB ILE 44 HB ILE 44 5.302 1.355 1.448 347 HG12 ILE 44 HG12 ILE 44 4.498 -1.557 1.665 348 HG13 ILE 44 HG11 ILE 44 5.097 -0.627 3.038 349 HG21 ILE 44 HG21 ILE 44 3.902 0.739 -0.368 350 HG22 ILE 44 HG22 ILE 44 4.636 -0.859 -0.501 351 HG23 ILE 44 HG23 ILE 44 5.540 0.571 -0.999 352 HD11 ILE 44 HD11 ILE 44 2.624 -0.055 1.386 353 HD12 ILE 44 HD12 ILE 44 3.280 1.063 2.583 354 HD13 ILE 44 HD13 ILE 44 2.688 -0.520 3.087 355 H GLU 45 HN GLU 45 7.078 -2.320 2.342 356 HA GLU 45 HA GLU 45 7.070 -3.920 -0.191 357 HB2 GLU 45 HB2 GLU 45 8.849 -5.336 0.734 358 HB3 GLU 45 HB1 GLU 45 9.398 -3.668 0.590 359 HG2 GLU 45 HG2 GLU 45 8.845 -3.321 3.007 360 HG3 GLU 45 HG1 GLU 45 8.427 -5.030 3.125 361 H ASP 46 HN ASP 46 6.518 -6.131 0.097 362 HA ASP 46 HA ASP 46 5.149 -6.884 2.630 363 HB2 ASP 46 HB2 ASP 46 3.526 -5.752 0.968 364 HB3 ASP 46 HB1 ASP 46 3.737 -7.192 -0.027 365 H ASP 47 HN ASP 47 3.858 -9.117 1.164 366 HA ASP 47 HA ASP 47 6.088 -10.992 1.293 367 HB2 ASP 47 HB2 ASP 47 3.135 -11.324 0.670 368 HB3 ASP 47 HB1 ASP 47 4.273 -12.670 0.720 369 H THR 48 HN THR 48 4.859 -8.996 -1.088 370 HA THR 48 HA THR 48 5.625 -10.848 -3.314 371 HB THR 48 HB THR 48 4.470 -9.171 -4.759 372 HG1 THR 48 HG1 THR 48 3.776 -8.002 -2.268 373 HG21 THR 48 HG21 THR 48 2.284 -9.886 -4.203 374 HG22 THR 48 HG22 THR 48 2.658 -9.967 -2.482 375 HG23 THR 48 HG23 THR 48 3.330 -11.162 -3.590 376 H ALA 49 HN ALA 49 5.619 -7.367 -3.580 377 HA ALA 49 HA ALA 49 8.615 -7.340 -3.706 378 HB1 ALA 49 HB1 ALA 49 7.431 -7.473 -5.993 379 HB2 ALA 49 HB2 ALA 49 8.600 -6.174 -5.769 380 HB3 ALA 49 HB3 ALA 49 6.874 -5.831 -5.666 381 H ARG 50 HN ARG 50 8.347 -4.532 -4.717 382 HA ARG 50 HA ARG 50 7.210 -3.131 -2.369 383 HB2 ARG 50 HB2 ARG 50 9.314 -1.911 -1.973 384 HB3 ARG 50 HB1 ARG 50 9.540 -3.643 -1.745 385 HG2 ARG 50 HG2 ARG 50 10.428 -3.799 -4.074 386 HG3 ARG 50 HG1 ARG 50 10.289 -2.047 -4.217 387 HD2 ARG 50 HD2 ARG 50 11.928 -3.450 -2.081 388 HD3 ARG 50 HD1 ARG 50 12.599 -2.814 -3.583 389 HE ARG 50 HE ARG 50 11.145 -0.722 -2.315 390 HH11 ARG 50 HH21 ARG 50 13.965 -2.702 -1.877 391 HH12 ARG 50 HH22 ARG 50 14.818 -1.491 -0.977 392 HH21 ARG 50 HH11 ARG 50 12.263 0.842 -1.150 393 HH22 ARG 50 HH12 ARG 50 13.859 0.505 -0.569 394 H ILE 51 HN ILE 51 6.985 -0.865 -2.675 395 HA ILE 51 HA ILE 51 7.480 0.231 -5.376 396 HB ILE 51 HB ILE 51 5.217 -0.880 -5.423 397 HG12 ILE 51 HG12 ILE 51 5.017 2.132 -5.590 398 HG13 ILE 51 HG11 ILE 51 5.906 1.182 -6.777 399 HG21 ILE 51 HG21 ILE 51 3.400 0.049 -4.134 400 HG22 ILE 51 HG22 ILE 51 4.426 1.329 -3.498 401 HG23 ILE 51 HG23 ILE 51 4.693 -0.344 -3.002 402 HD11 ILE 51 HD11 ILE 51 3.889 -0.097 -7.308 403 HD12 ILE 51 HD12 ILE 51 3.580 1.627 -7.509 404 HD13 ILE 51 HD13 ILE 51 2.984 0.786 -6.079 405 H ARG 52 HN ARG 52 7.042 2.542 -5.465 406 HA ARG 52 HA ARG 52 7.946 3.894 -3.043 407 HB2 ARG 52 HB2 ARG 52 7.210 4.915 -5.801 408 HB3 ARG 52 HB1 ARG 52 7.841 5.935 -4.509 409 HG2 ARG 52 HG2 ARG 52 9.882 4.595 -4.414 410 HG3 ARG 52 HG1 ARG 52 9.243 3.499 -5.637 411 HD2 ARG 52 HD2 ARG 52 10.777 5.101 -6.684 412 HD3 ARG 52 HD1 ARG 52 9.131 5.395 -7.247 413 HE ARG 52 HE ARG 52 9.667 7.021 -4.941 414 HH11 ARG 52 HH21 ARG 52 10.436 6.666 -8.312 415 HH12 ARG 52 HH22 ARG 52 10.740 8.357 -8.538 416 HH21 ARG 52 HH11 ARG 52 10.067 9.209 -5.250 417 HH22 ARG 52 HH12 ARG 52 10.535 9.787 -6.815 418 H ILE 53 HN ILE 53 6.813 5.443 -1.888 419 HA ILE 53 HA ILE 53 3.893 5.733 -2.456 420 HB ILE 53 HB ILE 53 3.425 5.472 -0.043 421 HG12 ILE 53 HG12 ILE 53 6.281 4.474 0.186 422 HG13 ILE 53 HG11 ILE 53 5.784 6.085 0.698 423 HG21 ILE 53 HG21 ILE 53 3.373 3.559 -1.723 424 HG22 ILE 53 HG22 ILE 53 3.527 3.083 -0.031 425 HG23 ILE 53 HG23 ILE 53 4.943 3.072 -1.083 426 HD11 ILE 53 HD11 ILE 53 5.809 4.384 2.548 427 HD12 ILE 53 HD12 ILE 53 4.505 3.538 1.716 428 HD13 ILE 53 HD13 ILE 53 4.250 5.175 2.321 429 H SER 54 HN SER 54 2.938 7.578 -1.496 430 HA SER 54 HA SER 54 4.775 9.682 -0.467 431 HB2 SER 54 HB2 SER 54 2.893 10.024 -2.821 432 HB3 SER 54 HB1 SER 54 3.772 11.328 -2.025 433 HG SER 54 HG SER 54 5.326 10.812 -3.332 434 H SER 55 HN SER 55 3.903 10.573 1.257 435 HA SER 55 HA SER 55 0.926 10.487 1.631 436 HB2 SER 55 HB2 SER 55 1.988 9.071 3.264 437 HB3 SER 55 HB1 SER 55 3.179 10.310 3.653 438 HG SER 55 HG SER 55 0.509 10.073 4.381 439 H PHE 56 HN PHE 56 -0.063 12.363 1.843 440 HA PHE 56 HA PHE 56 1.570 14.850 1.986 441 HB2 PHE 56 HB2 PHE 56 -1.285 14.290 1.127 442 HB3 PHE 56 HB1 PHE 56 -0.640 15.921 1.321 443 HD1 PHE 56 HD1 PHE 56 1.366 16.634 -0.035 444 HD2 PHE 56 HD2 PHE 56 -0.745 12.970 -0.794 445 HE1 PHE 56 HE1 PHE 56 2.407 16.498 -2.282 446 HE2 PHE 56 HE2 PHE 56 0.296 12.837 -3.041 447 HZ PHE 56 HZ PHE 56 1.872 14.601 -3.785 448 H GLY 57 HN GLY 57 1.767 15.781 3.881 449 HA2 GLY 57 HA2 GLY 57 1.131 16.797 5.902 450 HA3 GLY 57 HA1 GLY 57 -0.507 16.198 5.655 451 H LYS 58 HN LYS 58 -0.239 13.512 5.573 452 HA LYS 58 HA LYS 58 0.200 12.846 8.347 453 HB2 LYS 58 HB2 LYS 58 -0.363 11.117 5.923 454 HB3 LYS 58 HB1 LYS 58 -0.294 10.500 7.571 455 HG2 LYS 58 HG2 LYS 58 -2.094 12.079 8.222 456 HG3 LYS 58 HG1 LYS 58 -2.180 12.649 6.555 457 HD2 LYS 58 HD2 LYS 58 -2.799 10.402 5.789 458 HD3 LYS 58 HD1 LYS 58 -2.653 9.785 7.435 459 HE2 LYS 58 HE2 LYS 58 -5.008 10.230 6.918 460 HE3 LYS 58 HE1 LYS 58 -4.443 11.346 8.161 461 HZ1 LYS 58 HZ1 LYS 58 -4.755 11.904 5.263 462 HZ2 LYS 58 HZ2 LYS 58 -4.011 12.968 6.359 463 HZ3 LYS 58 HZ3 LYS 58 -5.654 12.573 6.536 464 H GLN 59 HN GLN 59 1.902 11.936 9.317 465 HA GLN 59 HA GLN 59 4.417 11.694 7.795 466 HB2 GLN 59 HB2 GLN 59 4.432 12.895 9.938 467 HB3 GLN 59 HB1 GLN 59 3.859 11.446 10.768 468 HG2 GLN 59 HG2 GLN 59 5.878 10.241 10.213 469 HG3 GLN 59 HG1 GLN 59 6.419 11.541 9.149 470 HE21 GLN 59 HE21 GLN 59 8.045 10.657 11.315 471 HE22 GLN 59 HE22 GLN 59 8.128 11.893 12.477 472 H LEU 60 HN LEU 60 5.767 9.859 7.937 473 HA LEU 60 HA LEU 60 4.336 7.263 8.420 474 HB2 LEU 60 HB2 LEU 60 6.530 7.836 6.399 475 HB3 LEU 60 HB1 LEU 60 5.669 6.312 6.614 476 HG LEU 60 HG LEU 60 4.383 8.937 5.807 477 HD11 LEU 60 HD11 LEU 60 5.013 6.441 4.200 478 HD12 LEU 60 HD12 LEU 60 5.800 8.009 4.022 479 HD13 LEU 60 HD13 LEU 60 4.094 7.826 3.610 480 HD21 LEU 60 HD21 LEU 60 2.693 7.711 6.895 481 HD22 LEU 60 HD22 LEU 60 3.338 6.158 6.361 482 HD23 LEU 60 HD23 LEU 60 2.499 7.207 5.220 483 H GLN 61 HN GLN 61 5.554 5.588 9.309 484 HA GLN 61 HA GLN 61 8.055 6.459 10.724 485 HB2 GLN 61 HB2 GLN 61 5.779 4.635 11.506 486 HB3 GLN 61 HB1 GLN 61 7.365 4.469 12.268 487 HG2 GLN 61 HG2 GLN 61 5.984 5.963 13.611 488 HG3 GLN 61 HG1 GLN 61 7.283 6.892 12.866 489 HE21 GLN 61 HE21 GLN 61 6.274 8.918 12.562 490 HE22 GLN 61 HE22 GLN 61 4.849 9.142 11.664 491 H ASP 62 HN ASP 62 9.814 5.207 10.657 492 HA ASP 62 HA ASP 62 10.259 3.548 8.388 493 HB2 ASP 62 HB2 ASP 62 12.042 4.831 9.520 494 HB3 ASP 62 HB1 ASP 62 11.906 3.777 10.927 495 H SER 63 HN SER 63 10.193 1.449 8.074 496 HA SER 63 HA SER 63 9.620 -0.783 8.332 497 HB2 SER 63 HB2 SER 63 10.968 -1.902 9.835 498 HB3 SER 63 HB1 SER 63 11.769 -0.332 9.837 499 HG SER 63 HG SER 63 11.398 -0.844 11.943 500 H ASP 64 HN ASP 64 7.727 1.345 9.343 501 HA ASP 64 HA ASP 64 6.326 -0.042 11.543 502 HB2 ASP 64 HB2 ASP 64 4.858 1.855 11.576 503 HB3 ASP 64 HB1 ASP 64 6.502 2.459 11.396 504 H VAL 65 HN VAL 65 4.799 -1.489 11.239 505 HA VAL 65 HA VAL 65 3.833 -2.130 8.542 506 HB VAL 65 HB VAL 65 2.463 -3.867 9.960 507 HG11 VAL 65 HG11 VAL 65 5.494 -3.918 9.860 508 HG12 VAL 65 HG12 VAL 65 4.406 -4.431 8.570 509 HG13 VAL 65 HG13 VAL 65 4.455 -5.326 10.089 510 HG21 VAL 65 HG21 VAL 65 3.234 -4.277 12.174 511 HG22 VAL 65 HG22 VAL 65 2.988 -2.533 12.104 512 HG23 VAL 65 HG23 VAL 65 4.616 -3.200 11.981 513 H VAL 66 HN VAL 66 2.201 -1.037 7.703 514 HA VAL 66 HA VAL 66 -0.150 -0.381 9.414 515 HB VAL 66 HB VAL 66 -0.268 1.876 8.474 516 HG11 VAL 66 HG11 VAL 66 2.531 1.463 9.537 517 HG12 VAL 66 HG12 VAL 66 1.108 1.310 10.561 518 HG13 VAL 66 HG13 VAL 66 1.467 2.847 9.781 519 HG21 VAL 66 HG21 VAL 66 2.245 1.009 7.027 520 HG22 VAL 66 HG22 VAL 66 1.840 2.709 7.263 521 HG23 VAL 66 HG23 VAL 66 0.764 1.668 6.333 522 H ARG 67 HN ARG 67 -2.039 0.180 8.142 523 HA ARG 67 HA ARG 67 -2.071 -1.154 5.455 524 HB2 ARG 67 HB2 ARG 67 -3.307 -2.380 7.247 525 HB3 ARG 67 HB1 ARG 67 -4.329 -0.958 7.467 526 HG2 ARG 67 HG2 ARG 67 -5.147 -1.107 5.197 527 HG3 ARG 67 HG1 ARG 67 -3.990 -2.382 4.815 528 HD2 ARG 67 HD2 ARG 67 -6.156 -3.407 5.224 529 HD3 ARG 67 HD1 ARG 67 -5.073 -3.817 6.551 530 HE ARG 67 HE ARG 67 -6.356 -2.430 8.004 531 HH11 ARG 67 HH21 ARG 67 -7.341 -2.192 4.684 532 HH12 ARG 67 HH22 ARG 67 -8.805 -1.347 5.058 533 HH21 ARG 67 HH11 ARG 67 -8.258 -1.333 8.478 534 HH22 ARG 67 HH12 ARG 67 -9.321 -0.863 7.195 535 H ILE 68 HN ILE 68 -2.635 0.097 3.822 536 HA ILE 68 HA ILE 68 -3.843 2.780 4.384 537 HB ILE 68 HB ILE 68 -2.314 1.818 1.941 538 HG12 ILE 68 HG12 ILE 68 -1.433 3.727 4.134 539 HG13 ILE 68 HG11 ILE 68 -0.976 2.025 4.087 540 HG21 ILE 68 HG21 ILE 68 -3.922 3.596 1.436 541 HG22 ILE 68 HG22 ILE 68 -2.289 4.256 1.408 542 HG23 ILE 68 HG23 ILE 68 -3.334 4.545 2.798 543 HD11 ILE 68 HD11 ILE 68 -0.465 3.896 1.765 544 HD12 ILE 68 HD12 ILE 68 0.234 2.302 2.047 545 HD13 ILE 68 HD13 ILE 68 0.702 3.664 3.065 546 H ASP 69 HN ASP 69 -5.818 3.171 3.704 547 HA ASP 69 HA ASP 69 -7.125 1.279 1.774 548 HB2 ASP 69 HB2 ASP 69 -8.274 2.834 4.109 549 HB3 ASP 69 HB1 ASP 69 -9.259 2.000 2.909 550 H ASN 70 HN ASN 70 -8.305 2.128 0.142 551 HA ASN 70 HA ASN 70 -9.009 3.642 -1.473 552 HB2 ASN 70 HB2 ASN 70 -10.199 4.551 0.598 553 HB3 ASN 70 HB1 ASN 70 -8.911 5.752 0.680 554 HD21 ASN 70 HD21 ASN 70 -10.242 7.565 0.077 555 HD22 ASN 70 HD22 ASN 70 -10.919 7.719 -1.473 556 H ALA 71 HN ALA 71 -6.246 3.136 -1.233 557 HA ALA 71 HA ALA 71 -4.718 5.595 -1.328 558 HB1 ALA 71 HB1 ALA 71 -2.860 4.236 -1.810 559 HB2 ALA 71 HB2 ALA 71 -3.840 3.001 -2.602 560 HB3 ALA 71 HB3 ALA 71 -3.886 3.177 -0.850 561 H ARG 72 HN ARG 72 -3.924 6.662 -3.125 562 HA ARG 72 HA ARG 72 -5.430 6.184 -5.665 563 HB2 ARG 72 HB2 ARG 72 -5.575 8.426 -4.454 564 HB3 ARG 72 HB1 ARG 72 -3.884 8.671 -4.898 565 HG2 ARG 72 HG2 ARG 72 -4.442 8.412 -7.271 566 HG3 ARG 72 HG1 ARG 72 -6.123 8.082 -6.858 567 HD2 ARG 72 HD2 ARG 72 -5.928 10.413 -7.531 568 HD3 ARG 72 HD1 ARG 72 -6.259 10.342 -5.802 569 HE ARG 72 HE ARG 72 -4.073 11.164 -5.374 570 HH11 ARG 72 HH21 ARG 72 -4.537 10.308 -8.705 571 HH12 ARG 72 HH22 ARG 72 -3.061 11.054 -9.223 572 HH21 ARG 72 HH11 ARG 72 -2.165 12.134 -6.056 573 HH22 ARG 72 HH12 ARG 72 -1.725 12.083 -7.730 574 H VAL 73 HN VAL 73 -4.385 5.404 -7.331 575 HA VAL 73 HA VAL 73 -1.460 5.054 -7.253 576 HB VAL 73 HB VAL 73 -3.512 4.185 -9.316 577 HG11 VAL 73 HG11 VAL 73 -1.299 4.329 -10.308 578 HG12 VAL 73 HG12 VAL 73 -1.656 2.630 -10.003 579 HG13 VAL 73 HG13 VAL 73 -0.582 3.513 -8.919 580 HG21 VAL 73 HG21 VAL 73 -3.141 1.943 -8.255 581 HG22 VAL 73 HG22 VAL 73 -3.892 3.104 -7.161 582 HG23 VAL 73 HG23 VAL 73 -2.175 2.733 -7.011 583 H ALA 74 HN ALA 74 -0.038 6.211 -8.383 584 HA ALA 74 HA ALA 74 -0.899 7.875 -10.678 585 HB1 ALA 74 HB1 ALA 74 0.230 8.943 -8.092 586 HB2 ALA 74 HB2 ALA 74 -1.192 9.491 -8.978 587 HB3 ALA 74 HB3 ALA 74 0.419 9.823 -9.611 588 H GLN 75 HN GLN 75 0.920 8.720 -11.868 589 HA GLN 75 HA GLN 75 3.349 6.990 -11.615 590 HB2 GLN 75 HB2 GLN 75 1.981 8.313 -13.965 591 HB3 GLN 75 HB1 GLN 75 3.659 7.774 -14.072 592 HG2 GLN 75 HG2 GLN 75 3.000 5.509 -13.449 593 HG3 GLN 75 HG1 GLN 75 1.318 6.019 -13.279 594 HE21 GLN 75 HE21 GLN 75 1.396 4.090 -15.066 595 HE22 GLN 75 HE22 GLN 75 1.435 4.640 -16.671 596 H PHE 76 HN PHE 76 4.973 7.981 -10.690 597 HA PHE 76 HA PHE 76 5.460 10.892 -11.242 598 HB2 PHE 76 HB2 PHE 76 5.932 9.206 -8.777 599 HB3 PHE 76 HB1 PHE 76 6.834 10.699 -9.047 600 HD1 PHE 76 HD1 PHE 76 5.618 12.865 -9.316 601 HD2 PHE 76 HD2 PHE 76 3.619 9.254 -8.135 602 HE1 PHE 76 HE1 PHE 76 3.688 14.198 -8.512 603 HE2 PHE 76 HE2 PHE 76 1.692 10.588 -7.325 604 HZ PHE 76 HZ PHE 76 1.724 13.057 -7.516 605 H ASN 77 HN ASN 77 7.198 11.295 -12.379 606 HA ASN 77 HA ASN 77 9.218 11.054 -13.510 607 HB2 ASN 77 HB2 ASN 77 9.816 9.510 -10.978 608 HB3 ASN 77 HB1 ASN 77 11.023 9.818 -12.219 609 HD21 ASN 77 HD21 ASN 77 9.909 12.531 -12.865 610 HD22 ASN 77 HD22 ASN 77 10.351 13.525 -11.567 611 H GLY 78 HN GLY 78 7.030 9.145 -13.965 612 HA2 GLY 78 HA2 GLY 78 6.773 7.395 -15.509 613 HA3 GLY 78 HA1 GLY 78 8.529 7.241 -15.590 614 H TYR 79 HN TYR 79 7.310 7.289 -12.420 615 HA TYR 79 HA TYR 79 7.442 4.293 -12.247 616 HB2 TYR 79 HB2 TYR 79 8.397 6.390 -10.276 617 HB3 TYR 79 HB1 TYR 79 8.267 4.670 -9.906 618 HD1 TYR 79 HD1 TYR 79 9.496 3.016 -11.467 619 HD2 TYR 79 HD2 TYR 79 10.336 7.227 -11.331 620 HE1 TYR 79 HE1 TYR 79 11.708 2.610 -12.514 621 HE2 TYR 79 HE2 TYR 79 12.546 6.820 -12.379 622 HH TYR 79 HH TYR 79 13.626 5.122 -13.785 623 H LEU 80 HN LEU 80 5.805 3.308 -11.256 624 HA LEU 80 HA LEU 80 3.423 4.826 -10.581 625 HB2 LEU 80 HB2 LEU 80 4.138 1.885 -10.558 626 HB3 LEU 80 HB1 LEU 80 2.593 2.453 -9.923 627 HG LEU 80 HG LEU 80 3.472 3.348 -12.669 628 HD11 LEU 80 HD11 LEU 80 2.177 1.361 -13.565 629 HD12 LEU 80 HD12 LEU 80 2.256 0.670 -11.944 630 HD13 LEU 80 HD13 LEU 80 3.740 0.968 -12.849 631 HD21 LEU 80 HD21 LEU 80 0.710 2.618 -11.670 632 HD22 LEU 80 HD22 LEU 80 1.143 3.680 -13.007 633 HD23 LEU 80 HD23 LEU 80 1.401 4.203 -11.350 634 H SER 81 HN SER 81 2.525 5.118 -8.581 635 HA SER 81 HA SER 81 3.783 3.993 -6.183 636 HB2 SER 81 HB2 SER 81 4.219 6.249 -5.205 637 HB3 SER 81 HB1 SER 81 5.256 5.871 -6.575 638 HG SER 81 HG SER 81 2.857 7.072 -7.216 639 H LEU 82 HN LEU 82 2.644 4.645 -4.221 640 HA LEU 82 HA LEU 82 -0.263 5.108 -4.754 641 HB2 LEU 82 HB2 LEU 82 1.075 3.983 -2.267 642 HB3 LEU 82 HB1 LEU 82 -0.652 4.008 -2.623 643 HG LEU 82 HG LEU 82 1.453 2.514 -4.217 644 HD11 LEU 82 HD11 LEU 82 -0.743 1.538 -2.365 645 HD12 LEU 82 HD12 LEU 82 0.990 1.468 -2.042 646 HD13 LEU 82 HD13 LEU 82 0.295 0.503 -3.344 647 HD21 LEU 82 HD21 LEU 82 -0.206 3.046 -5.788 648 HD22 LEU 82 HD22 LEU 82 -1.503 2.983 -4.593 649 HD23 LEU 82 HD23 LEU 82 -0.768 1.492 -5.180 650 H SER 83 HN SER 83 -1.075 6.997 -4.229 651 HA SER 83 HA SER 83 0.449 8.828 -2.428 652 HB2 SER 83 HB2 SER 83 -1.637 9.303 -4.567 653 HB3 SER 83 HB1 SER 83 -1.125 10.560 -3.444 654 HG SER 83 HG SER 83 0.048 10.402 -5.505 655 H VAL 84 HN VAL 84 -0.265 9.094 -0.443 656 HA VAL 84 HA VAL 84 -3.041 8.281 0.276 657 HB VAL 84 HB VAL 84 -0.803 9.025 2.179 658 HG11 VAL 84 HG11 VAL 84 -3.013 8.931 3.170 659 HG12 VAL 84 HG12 VAL 84 -2.128 7.488 3.663 660 HG13 VAL 84 HG13 VAL 84 -3.342 7.384 2.391 661 HG21 VAL 84 HG21 VAL 84 -0.523 6.473 2.328 662 HG22 VAL 84 HG22 VAL 84 0.145 7.250 0.892 663 HG23 VAL 84 HG23 VAL 84 -1.396 6.398 0.798 664 H GLY 85 HN GLY 85 -4.377 9.943 -0.032 665 HA2 GLY 85 HA2 GLY 85 -3.584 12.717 0.614 666 HA3 GLY 85 HA1 GLY 85 -5.067 12.219 -0.195 667 H ASP 86 HN ASP 86 -5.681 13.936 1.538 668 HA ASP 86 HA ASP 86 -5.905 13.088 4.294 669 HB2 ASP 86 HB2 ASP 86 -7.274 15.279 2.697 670 HB3 ASP 86 HB1 ASP 86 -7.535 15.034 4.424 671 H SER 87 HN SER 87 -7.643 12.397 1.429 672 HA SER 87 HA SER 87 -10.183 11.764 2.778 673 HB2 SER 87 HB2 SER 87 -10.903 11.054 0.530 674 HB3 SER 87 HB1 SER 87 -10.155 12.645 0.462 675 HG SER 87 HG SER 87 -8.673 10.271 0.051 676 H SER 88 HN SER 88 -7.205 10.213 2.129 677 HA SER 88 HA SER 88 -8.271 7.483 2.080 678 HB2 SER 88 HB2 SER 88 -5.825 6.867 2.214 679 HB3 SER 88 HB1 SER 88 -6.249 7.875 0.835 680 HG SER 88 HG SER 88 -4.453 8.761 1.791 681 H ARG 89 HN ARG 89 -7.414 5.883 3.679 682 HA ARG 89 HA ARG 89 -7.270 7.066 6.448 683 HB2 ARG 89 HB2 ARG 89 -9.515 6.089 5.952 684 HB3 ARG 89 HB1 ARG 89 -8.741 4.538 5.635 685 HG2 ARG 89 HG2 ARG 89 -7.809 4.549 7.939 686 HG3 ARG 89 HG1 ARG 89 -8.632 6.078 8.244 687 HD2 ARG 89 HD2 ARG 89 -9.994 4.277 9.142 688 HD3 ARG 89 HD1 ARG 89 -10.810 4.942 7.726 689 HE ARG 89 HE ARG 89 -9.162 2.774 6.877 690 HH11 ARG 89 HH21 ARG 89 -11.998 3.448 8.767 691 HH12 ARG 89 HH22 ARG 89 -12.723 1.909 8.440 692 HH21 ARG 89 HH11 ARG 89 -10.111 0.780 6.464 693 HH22 ARG 89 HH12 ARG 89 -11.660 0.406 7.142 694 H ILE 90 HN ILE 90 -5.784 6.217 7.761 695 HA ILE 90 HA ILE 90 -4.181 3.866 6.801 696 HB ILE 90 HB ILE 90 -3.221 6.342 8.267 697 HG12 ILE 90 HG12 ILE 90 -2.503 5.285 5.514 698 HG13 ILE 90 HG11 ILE 90 -3.690 6.556 5.789 699 HG21 ILE 90 HG21 ILE 90 -1.886 3.737 7.504 700 HG22 ILE 90 HG22 ILE 90 -1.956 4.500 9.093 701 HG23 ILE 90 HG23 ILE 90 -0.960 5.204 7.820 702 HD11 ILE 90 HD11 ILE 90 -0.872 6.838 5.562 703 HD12 ILE 90 HD12 ILE 90 -1.270 7.216 7.236 704 HD13 ILE 90 HD13 ILE 90 -2.051 8.094 5.922 705 H GLU 91 HN GLU 91 -4.149 2.227 8.169 706 HA GLU 91 HA GLU 91 -4.790 2.702 11.065 707 HB2 GLU 91 HB2 GLU 91 -5.686 0.448 9.248 708 HB3 GLU 91 HB1 GLU 91 -5.859 0.429 11.005 709 HG2 GLU 91 HG2 GLU 91 -7.213 2.470 10.921 710 HG3 GLU 91 HG1 GLU 91 -7.004 2.558 9.172 711 H SER 92 HN SER 92 -3.281 2.045 12.397 712 HA SER 92 HA SER 92 -0.906 0.653 11.473 713 HB2 SER 92 HB2 SER 92 0.005 1.167 13.573 714 HB3 SER 92 HB1 SER 92 -1.144 2.478 13.335 715 HG SER 92 HG SER 92 -1.157 1.232 15.414 716 H VAL 93 HN VAL 93 -0.168 -1.374 12.144 717 HA VAL 93 HA VAL 93 -2.340 -3.250 13.048 718 HB VAL 93 HB VAL 93 0.173 -3.805 11.432 719 HG11 VAL 93 HG11 VAL 93 -0.358 -5.741 12.747 720 HG12 VAL 93 HG12 VAL 93 -1.006 -6.044 11.134 721 HG13 VAL 93 HG13 VAL 93 -2.085 -5.553 12.440 722 HG21 VAL 93 HG21 VAL 93 -1.467 -4.263 9.612 723 HG22 VAL 93 HG22 VAL 93 -1.538 -2.584 10.150 724 HG23 VAL 93 HG23 VAL 93 -2.770 -3.732 10.675 725 H ASN 94 HN ASN 94 -2.076 -3.210 15.226 726 HA ASN 94 HA ASN 94 0.631 -3.785 16.371 727 HB2 ASN 94 HB2 ASN 94 -0.714 -1.783 17.173 728 HB3 ASN 94 HB1 ASN 94 -1.881 -2.926 17.841 729 HD21 ASN 94 HD21 ASN 94 -0.769 -1.410 19.759 730 HD22 ASN 94 HD22 ASN 94 0.455 -2.226 20.606 731 H VAL 95 HN VAL 95 -2.073 -5.395 15.345 732 HA VAL 95 HA VAL 95 -1.897 -7.478 17.504 733 HB VAL 95 HB VAL 95 -4.086 -8.243 16.724 734 HG11 VAL 95 HG11 VAL 95 -4.114 -6.575 18.459 735 HG12 VAL 95 HG12 VAL 95 -5.385 -6.156 17.311 736 HG13 VAL 95 HG13 VAL 95 -3.856 -5.277 17.293 737 HG21 VAL 95 HG21 VAL 95 -4.099 -7.760 14.394 738 HG22 VAL 95 HG22 VAL 95 -3.696 -6.063 14.661 739 HG23 VAL 95 HG23 VAL 95 -5.299 -6.666 15.082 740 H ASN 96 HN ASN 96 -1.017 -9.351 17.027 741 HA ASN 96 HA ASN 96 0.164 -9.888 14.438 742 HB2 ASN 96 HB2 ASN 96 0.993 -10.606 16.808 743 HB3 ASN 96 HB1 ASN 96 -0.126 -11.958 16.627 744 HD21 ASN 96 HD21 ASN 96 2.586 -12.578 16.760 745 HD22 ASN 96 HD22 ASN 96 3.158 -13.052 15.233 746 H ILE 97 HN ILE 97 -0.346 -11.453 12.955 747 HA ILE 97 HA ILE 97 -2.810 -13.071 13.310 748 HB ILE 97 HB ILE 97 -3.519 -12.298 10.962 749 HG12 ILE 97 HG12 ILE 97 -1.864 -9.860 11.675 750 HG13 ILE 97 HG11 ILE 97 -1.266 -11.113 10.588 751 HG21 ILE 97 HG21 ILE 97 -3.599 -10.331 13.271 752 HG22 ILE 97 HG22 ILE 97 -4.704 -11.685 13.033 753 HG23 ILE 97 HG23 ILE 97 -4.700 -10.340 11.892 754 HD11 ILE 97 HD11 ILE 97 -2.374 -9.194 9.395 755 HD12 ILE 97 HD12 ILE 97 -3.886 -9.639 10.188 756 HD13 ILE 97 HD13 ILE 97 -3.119 -10.758 9.062 757 HA PRO 98 HA PRO 98 0.647 -15.161 10.934 758 HB2 PRO 98 HB2 PRO 98 1.018 -17.273 12.647 759 HB3 PRO 98 HB1 PRO 98 1.868 -15.726 12.823 760 HG2 PRO 98 HG2 PRO 98 -0.484 -16.771 14.324 761 HG3 PRO 98 HG1 PRO 98 0.873 -15.792 14.895 762 HD2 PRO 98 HD2 PRO 98 -1.638 -14.772 14.307 763 HD3 PRO 98 HD1 PRO 98 -0.148 -13.804 14.300 764 H LEU 99 HN LEU 99 -1.138 -17.493 12.879 765 HA LEU 99 HA LEU 99 -2.581 -19.229 12.328 766 HB2 LEU 99 HB2 LEU 99 -3.331 -17.514 9.943 767 HB3 LEU 99 HB1 LEU 99 -4.298 -18.776 10.698 768 HG LEU 99 HG LEU 99 -3.425 -16.212 12.066 769 HD11 LEU 99 HD11 LEU 99 -5.172 -16.019 10.212 770 HD12 LEU 99 HD12 LEU 99 -5.677 -15.448 11.802 771 HD13 LEU 99 HD13 LEU 99 -6.216 -17.023 11.219 772 HD21 LEU 99 HD21 LEU 99 -5.011 -18.632 12.937 773 HD22 LEU 99 HD22 LEU 99 -5.286 -17.062 13.692 774 HD23 LEU 99 HD23 LEU 99 -3.696 -17.811 13.779 775 H GLU 100 HN GLU 100 -2.897 -20.956 10.772 776 HA GLU 100 HA GLU 100 -2.000 -22.605 9.395 777 HB2 GLU 100 HB2 GLU 100 -1.445 -20.124 7.759 778 HB3 GLU 100 HB1 GLU 100 -1.248 -21.768 7.148 779 HG2 GLU 100 HG2 GLU 100 -3.609 -22.253 7.598 780 HG3 GLU 100 HG1 GLU 100 -3.827 -20.647 8.292 781 H HIS 101 HN HIS 101 0.004 -23.376 8.273 782 HA HIS 101 HA HIS 101 2.327 -22.777 9.994 783 HB2 HIS 101 HB2 HIS 101 3.295 -24.789 9.062 784 HB3 HIS 101 HB1 HIS 101 1.620 -25.132 9.486 785 HD1 HIS 101 HD1 HIS 101 -0.129 -25.019 7.407 786 HD2 HIS 101 HD2 HIS 101 3.908 -25.248 6.390 787 HE1 HIS 101 HE1 HIS 101 -0.041 -25.711 4.971 788 H HIS 102 HN HIS 102 3.695 -21.256 9.402 789 HA HIS 102 HA HIS 102 3.895 -20.367 6.595 790 HB2 HIS 102 HB2 HIS 102 5.306 -18.574 7.508 791 HB3 HIS 102 HB1 HIS 102 3.809 -18.699 8.427 792 HD1 HIS 102 HD1 HIS 102 4.015 -20.127 10.739 793 HD2 HIS 102 HD2 HIS 102 7.598 -18.817 9.058 794 HE1 HIS 102 HE1 HIS 102 5.760 -20.276 12.568 795 H HIS 103 HN HIS 103 5.214 -22.809 8.339 796 HA HIS 103 HA HIS 103 8.018 -22.674 7.832 797 HB2 HIS 103 HB2 HIS 103 6.114 -25.020 8.148 798 HB3 HIS 103 HB1 HIS 103 7.858 -25.222 7.974 799 HD1 HIS 103 HD1 HIS 103 5.355 -23.465 10.245 800 HD2 HIS 103 HD2 HIS 103 9.281 -24.865 10.333 801 HE1 HIS 103 HE1 HIS 103 6.167 -23.174 12.627 802 H HIS 104 HN HIS 104 5.324 -24.002 5.922 803 HA HIS 104 HA HIS 104 7.183 -24.205 3.567 804 HB2 HIS 104 HB2 HIS 104 4.660 -25.779 4.186 805 HB3 HIS 104 HB1 HIS 104 5.597 -25.905 2.696 806 HD1 HIS 104 HD1 HIS 104 8.211 -26.615 3.068 807 HD2 HIS 104 HD2 HIS 104 5.610 -27.420 6.226 808 HE1 HIS 104 HE1 HIS 104 9.381 -28.305 4.547 809 H HIS 105 HN HIS 105 6.662 -23.132 1.758 810 HA HIS 105 HA HIS 105 4.753 -20.987 1.842 811 HB2 HIS 105 HB2 HIS 105 5.409 -20.599 -0.496 812 HB3 HIS 105 HB1 HIS 105 6.836 -20.917 0.488 813 HD1 HIS 105 HD1 HIS 105 8.117 -23.122 0.069 814 HD2 HIS 105 HD2 HIS 105 4.738 -22.690 -2.334 815 HE1 HIS 105 HE1 HIS 105 8.261 -24.928 -1.701 816 H HIS 106 HN HIS 106 4.716 -24.226 0.434 817 HA HIS 106 HA HIS 106 2.599 -24.234 -1.309 818 HB2 HIS 106 HB2 HIS 106 3.143 -26.235 0.912 819 HB3 HIS 106 HB1 HIS 106 2.034 -26.529 -0.427 820 HD1 HIS 106 HD1 HIS 106 5.678 -26.225 0.397 821 HD2 HIS 106 HD2 HIS 106 3.317 -26.947 -2.963 822 HE1 HIS 106 HE1 HIS 106 7.247 -27.028 -1.421 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 -10.669 0.505 -4.841 2 H2 SER 1 HT2 SER 1 -11.799 1.383 -3.926 3 H3 SER 1 HT3 SER 1 -11.794 -0.315 -3.871 4 HA SER 1 HA SER 1 -9.293 0.959 -3.145 5 HB2 SER 1 HB2 SER 1 -11.622 0.996 -1.217 6 HB3 SER 1 HB1 SER 1 -10.016 1.681 -0.985 7 HG SER 1 HG SER 1 -10.475 3.184 -2.596 8 H ASP 2 HN ASP 2 -10.471 -1.620 -4.045 9 HA ASP 2 HA ASP 2 -10.623 -3.406 -1.767 10 HB2 ASP 2 HB2 ASP 2 -11.644 -3.827 -4.060 11 HB3 ASP 2 HB1 ASP 2 -10.013 -4.164 -4.639 12 H LEU 3 HN LEU 3 -9.107 -4.983 -1.158 13 HA LEU 3 HA LEU 3 -6.387 -4.080 -1.115 14 HB2 LEU 3 HB2 LEU 3 -7.283 -5.361 0.763 15 HB3 LEU 3 HB1 LEU 3 -7.630 -6.733 -0.291 16 HG LEU 3 HG LEU 3 -5.239 -7.047 -0.728 17 HD11 LEU 3 HD11 LEU 3 -3.686 -5.567 0.806 18 HD12 LEU 3 HD12 LEU 3 -5.041 -4.442 0.774 19 HD13 LEU 3 HD13 LEU 3 -4.256 -4.926 -0.731 20 HD21 LEU 3 HD21 LEU 3 -4.587 -7.860 1.398 21 HD22 LEU 3 HD22 LEU 3 -6.350 -7.949 1.394 22 HD23 LEU 3 HD23 LEU 3 -5.534 -6.638 2.245 23 H VAL 4 HN VAL 4 -4.793 -4.494 -2.487 24 HA VAL 4 HA VAL 4 -4.953 -6.874 -4.283 25 HB VAL 4 HB VAL 4 -4.250 -5.519 -6.207 26 HG11 VAL 4 HG11 VAL 4 -6.700 -5.918 -5.602 27 HG12 VAL 4 HG12 VAL 4 -6.381 -4.571 -6.696 28 HG13 VAL 4 HG13 VAL 4 -6.717 -4.263 -4.992 29 HG21 VAL 4 HG21 VAL 4 -3.103 -3.659 -5.323 30 HG22 VAL 4 HG22 VAL 4 -4.395 -3.282 -4.182 31 HG23 VAL 4 HG23 VAL 4 -4.611 -2.955 -5.903 32 H LYS 5 HN LYS 5 -2.871 -7.322 -5.306 33 HA LYS 5 HA LYS 5 -0.714 -7.155 -3.370 34 HB2 LYS 5 HB2 LYS 5 -1.023 -8.387 -6.116 35 HB3 LYS 5 HB1 LYS 5 0.559 -8.321 -5.338 36 HG2 LYS 5 HG2 LYS 5 -0.401 -10.443 -4.752 37 HG3 LYS 5 HG1 LYS 5 -0.501 -9.434 -3.314 38 HD2 LYS 5 HD2 LYS 5 -2.826 -8.983 -3.672 39 HD3 LYS 5 HD1 LYS 5 -2.780 -9.686 -5.288 40 HE2 LYS 5 HE2 LYS 5 -3.783 -11.298 -3.780 41 HE3 LYS 5 HE1 LYS 5 -2.187 -11.888 -4.240 42 HZ1 LYS 5 HZ1 LYS 5 -1.333 -10.864 -2.166 43 HZ2 LYS 5 HZ2 LYS 5 -2.429 -12.135 -1.901 44 HZ3 LYS 5 HZ3 LYS 5 -2.932 -10.523 -1.713 45 H ILE 6 HN ILE 6 1.379 -6.310 -3.799 46 HA ILE 6 HA ILE 6 1.372 -3.618 -4.733 47 HB ILE 6 HB ILE 6 3.795 -5.429 -4.402 48 HG12 ILE 6 HG12 ILE 6 2.469 -5.580 -2.369 49 HG13 ILE 6 HG11 ILE 6 3.831 -4.505 -2.055 50 HG21 ILE 6 HG21 ILE 6 4.416 -3.353 -5.421 51 HG22 ILE 6 HG22 ILE 6 4.818 -3.194 -3.710 52 HG23 ILE 6 HG23 ILE 6 3.358 -2.438 -4.347 53 HD11 ILE 6 HD11 ILE 6 2.167 -2.601 -2.777 54 HD12 ILE 6 HD12 ILE 6 2.032 -3.294 -1.166 55 HD13 ILE 6 HD13 ILE 6 0.931 -3.810 -2.440 56 H ARG 7 HN ARG 7 2.596 -6.602 -6.222 57 HA ARG 7 HA ARG 7 3.597 -5.315 -8.597 58 HB2 ARG 7 HB2 ARG 7 2.797 -8.188 -8.023 59 HB3 ARG 7 HB1 ARG 7 3.534 -7.668 -9.540 60 HG2 ARG 7 HG2 ARG 7 5.485 -6.805 -8.312 61 HG3 ARG 7 HG1 ARG 7 4.755 -7.305 -6.786 62 HD2 ARG 7 HD2 ARG 7 5.365 -9.223 -9.056 63 HD3 ARG 7 HD1 ARG 7 6.457 -8.935 -7.701 64 HE ARG 7 HE ARG 7 3.981 -9.578 -6.547 65 HH11 ARG 7 HH21 ARG 7 6.267 -11.022 -8.725 66 HH12 ARG 7 HH22 ARG 7 5.896 -12.640 -8.226 67 HH21 ARG 7 HH11 ARG 7 3.510 -11.682 -5.908 68 HH22 ARG 7 HH12 ARG 7 4.348 -13.011 -6.638 69 H ASP 8 HN ASP 8 0.439 -6.250 -7.545 70 HA ASP 8 HA ASP 8 -0.725 -6.350 -10.241 71 HB2 ASP 8 HB2 ASP 8 -1.602 -7.684 -8.284 72 HB3 ASP 8 HB1 ASP 8 -2.158 -6.169 -7.568 73 H VAL 9 HN VAL 9 0.348 -3.902 -8.262 74 HA VAL 9 HA VAL 9 -1.765 -1.959 -8.572 75 HB VAL 9 HB VAL 9 1.203 -1.595 -8.028 76 HG11 VAL 9 HG11 VAL 9 0.387 0.479 -8.896 77 HG12 VAL 9 HG12 VAL 9 0.357 0.654 -7.141 78 HG13 VAL 9 HG13 VAL 9 -1.136 0.325 -8.020 79 HG21 VAL 9 HG21 VAL 9 0.501 -1.353 -5.707 80 HG22 VAL 9 HG22 VAL 9 -0.137 -2.876 -6.328 81 HG23 VAL 9 HG23 VAL 9 -1.197 -1.479 -6.170 82 H SER 10 HN SER 10 -2.262 -0.779 -10.257 83 HA SER 10 HA SER 10 -0.346 0.100 -12.255 84 HB2 SER 10 HB2 SER 10 -2.349 -2.068 -12.910 85 HB3 SER 10 HB1 SER 10 -1.652 -1.021 -14.146 86 HG SER 10 HG SER 10 -0.608 -3.190 -13.254 87 H LEU 11 HN LEU 11 -1.430 1.453 -13.896 88 HA LEU 11 HA LEU 11 -3.348 3.226 -12.728 89 HB2 LEU 11 HB2 LEU 11 -2.456 2.880 -15.613 90 HB3 LEU 11 HB1 LEU 11 -3.443 4.222 -15.040 91 HG LEU 11 HG LEU 11 -0.824 3.608 -13.666 92 HD11 LEU 11 HD11 LEU 11 0.187 5.340 -15.237 93 HD12 LEU 11 HD12 LEU 11 -1.226 5.105 -16.266 94 HD13 LEU 11 HD13 LEU 11 -0.129 3.761 -15.953 95 HD21 LEU 11 HD21 LEU 11 -2.436 6.139 -14.157 96 HD22 LEU 11 HD22 LEU 11 -0.922 6.067 -13.263 97 HD23 LEU 11 HD23 LEU 11 -2.346 5.253 -12.641 98 H SER 12 HN SER 12 -3.795 0.184 -13.898 99 HA SER 12 HA SER 12 -6.168 0.343 -15.467 100 HB2 SER 12 HB2 SER 12 -6.535 -2.004 -14.759 101 HB3 SER 12 HB1 SER 12 -4.860 -1.735 -15.226 102 HG SER 12 HG SER 12 -4.247 -1.921 -13.179 103 H THR 13 HN THR 13 -5.615 0.451 -11.987 104 HA THR 13 HA THR 13 -8.554 0.782 -11.589 105 HB THR 13 HB THR 13 -8.179 -0.006 -9.272 106 HG1 THR 13 HG1 THR 13 -6.225 -0.218 -8.572 107 HG21 THR 13 HG21 THR 13 -7.015 -1.947 -11.274 108 HG22 THR 13 HG22 THR 13 -8.726 -1.522 -11.245 109 HG23 THR 13 HG23 THR 13 -7.990 -2.313 -9.852 110 HA PRO 14 HA PRO 14 -7.604 4.911 -10.191 111 HB2 PRO 14 HB2 PRO 14 -9.901 5.450 -8.790 112 HB3 PRO 14 HB1 PRO 14 -9.848 5.370 -10.561 113 HG2 PRO 14 HG2 PRO 14 -10.789 3.317 -8.606 114 HG3 PRO 14 HG1 PRO 14 -11.474 3.781 -10.173 115 HD2 PRO 14 HD2 PRO 14 -9.916 1.544 -9.813 116 HD3 PRO 14 HD1 PRO 14 -10.041 2.431 -11.355 117 H TYR 15 HN TYR 15 -9.340 3.188 -7.573 118 HA TYR 15 HA TYR 15 -7.197 4.083 -5.662 119 HB2 TYR 15 HB2 TYR 15 -10.161 3.686 -5.154 120 HB3 TYR 15 HB1 TYR 15 -8.962 4.109 -3.933 121 HD1 TYR 15 HD2 TYR 15 -7.726 6.293 -4.094 122 HD2 TYR 15 HD1 TYR 15 -11.029 5.328 -6.668 123 HE1 TYR 15 HE2 TYR 15 -7.971 8.690 -4.685 124 HE2 TYR 15 HE1 TYR 15 -11.269 7.725 -7.256 125 HH TYR 15 HH TYR 15 -10.022 10.172 -5.541 126 H VAL 16 HN VAL 16 -6.289 2.588 -4.406 127 HA VAL 16 HA VAL 16 -7.496 -0.126 -4.164 128 HB VAL 16 HB VAL 16 -5.261 -1.142 -4.596 129 HG11 VAL 16 HG11 VAL 16 -5.389 -1.004 -7.004 130 HG12 VAL 16 HG12 VAL 16 -6.216 0.552 -6.918 131 HG13 VAL 16 HG13 VAL 16 -7.032 -0.914 -6.370 132 HG21 VAL 16 HG21 VAL 16 -3.570 0.261 -5.790 133 HG22 VAL 16 HG22 VAL 16 -3.830 0.779 -4.124 134 HG23 VAL 16 HG23 VAL 16 -4.556 1.684 -5.453 135 H SER 17 HN SER 17 -6.417 -1.403 -2.473 136 HA SER 17 HA SER 17 -5.284 0.330 -0.290 137 HB2 SER 17 HB2 SER 17 -7.078 -2.108 -0.050 138 HB3 SER 17 HB1 SER 17 -6.371 -1.218 1.297 139 HG SER 17 HG SER 17 -7.915 0.058 -0.695 140 H VAL 18 HN VAL 18 -3.572 -0.477 0.856 141 HA VAL 18 HA VAL 18 -2.466 -3.143 0.085 142 HB VAL 18 HB VAL 18 -0.208 -2.127 -0.093 143 HG11 VAL 18 HG11 VAL 18 -0.490 -1.346 -2.319 144 HG12 VAL 18 HG12 VAL 18 -2.104 -0.719 -1.979 145 HG13 VAL 18 HG13 VAL 18 -1.833 -2.460 -2.058 146 HG21 VAL 18 HG21 VAL 18 -0.174 0.402 -0.453 147 HG22 VAL 18 HG22 VAL 18 -0.420 -0.123 1.212 148 HG23 VAL 18 HG23 VAL 18 -1.790 0.437 0.253 149 H ILE 19 HN ILE 19 -0.860 -3.921 1.554 150 HA ILE 19 HA ILE 19 -0.817 -2.686 4.264 151 HB ILE 19 HB ILE 19 -2.613 -4.416 4.213 152 HG12 ILE 19 HG12 ILE 19 -0.211 -5.371 5.792 153 HG13 ILE 19 HG11 ILE 19 -1.146 -3.944 6.239 154 HG21 ILE 19 HG21 ILE 19 -2.144 -6.699 3.747 155 HG22 ILE 19 HG22 ILE 19 -0.401 -6.430 3.773 156 HG23 ILE 19 HG23 ILE 19 -1.371 -5.802 2.440 157 HD11 ILE 19 HD11 ILE 19 -2.423 -6.652 5.808 158 HD12 ILE 19 HD12 ILE 19 -3.130 -5.233 6.582 159 HD13 ILE 19 HD13 ILE 19 -1.833 -6.120 7.383 160 H GLY 20 HN GLY 20 1.172 -2.674 5.088 161 HA2 GLY 20 HA2 GLY 20 3.099 -4.733 4.925 162 HA3 GLY 20 HA1 GLY 20 3.431 -3.613 3.606 163 H LYS 21 HN LYS 21 5.428 -3.121 4.629 164 HA LYS 21 HA LYS 21 5.164 -1.217 6.937 165 HB2 LYS 21 HB2 LYS 21 7.248 -1.988 7.822 166 HB3 LYS 21 HB1 LYS 21 6.287 -3.427 7.501 167 HG2 LYS 21 HG2 LYS 21 7.471 -3.657 5.297 168 HG3 LYS 21 HG1 LYS 21 8.512 -2.311 5.755 169 HD2 LYS 21 HD2 LYS 21 9.172 -3.588 7.807 170 HD3 LYS 21 HD1 LYS 21 8.268 -4.967 7.179 171 HE2 LYS 21 HE2 LYS 21 9.668 -4.932 5.130 172 HE3 LYS 21 HE1 LYS 21 10.598 -3.589 5.806 173 HZ1 LYS 21 HZ1 LYS 21 10.716 -5.335 7.806 174 HZ2 LYS 21 HZ2 LYS 21 11.877 -5.252 6.570 175 HZ3 LYS 21 HZ3 LYS 21 10.637 -6.411 6.498 176 H ILE 22 HN ILE 22 6.160 0.681 6.749 177 HA ILE 22 HA ILE 22 7.294 1.390 4.094 178 HB ILE 22 HB ILE 22 6.494 3.064 6.489 179 HG12 ILE 22 HG12 ILE 22 4.778 3.879 4.775 180 HG13 ILE 22 HG11 ILE 22 5.282 2.525 3.766 181 HG21 ILE 22 HG21 ILE 22 8.255 4.253 5.474 182 HG22 ILE 22 HG22 ILE 22 6.783 4.960 4.809 183 HG23 ILE 22 HG23 ILE 22 7.724 3.815 3.851 184 HD11 ILE 22 HD11 ILE 22 4.503 1.977 6.624 185 HD12 ILE 22 HD12 ILE 22 4.385 0.937 5.206 186 HD13 ILE 22 HD13 ILE 22 3.246 2.255 5.425 187 H THR 23 HN THR 23 9.397 1.748 3.761 188 HA THR 23 HA THR 23 11.230 1.986 6.129 189 HB THR 23 HB THR 23 11.931 0.600 3.533 190 HG1 THR 23 HG1 THR 23 11.029 -1.128 4.294 191 HG21 THR 23 HG21 THR 23 13.749 -0.327 4.960 192 HG22 THR 23 HG22 THR 23 13.175 0.675 6.291 193 HG23 THR 23 HG23 THR 23 13.819 1.432 4.833 194 H GLY 24 HN GLY 24 12.861 3.420 5.941 195 HA2 GLY 24 HA2 GLY 24 14.114 5.227 5.157 196 HA3 GLY 24 HA1 GLY 24 13.727 4.702 3.519 197 H ILE 25 HN ILE 25 12.949 6.852 6.096 198 HA ILE 25 HA ILE 25 10.550 7.927 4.705 199 HB ILE 25 HB ILE 25 11.772 8.831 7.336 200 HG12 ILE 25 HG12 ILE 25 11.181 6.487 7.571 201 HG13 ILE 25 HG11 ILE 25 9.920 7.440 8.347 202 HG21 ILE 25 HG21 ILE 25 9.097 9.238 5.974 203 HG22 ILE 25 HG22 ILE 25 10.278 10.475 6.403 204 HG23 ILE 25 HG23 ILE 25 9.385 9.630 7.668 205 HD11 ILE 25 HD11 ILE 25 8.686 5.906 7.074 206 HD12 ILE 25 HD12 ILE 25 9.820 5.968 5.728 207 HD13 ILE 25 HD13 ILE 25 8.724 7.316 6.021 208 H HIS 26 HN HIS 26 10.651 9.584 3.421 209 HA HIS 26 HA HIS 26 12.973 11.479 3.584 210 HB2 HIS 26 HB2 HIS 26 11.511 10.495 1.109 211 HB3 HIS 26 HB1 HIS 26 12.773 11.727 1.127 212 HD1 HIS 26 HD1 HIS 26 15.131 10.830 2.290 213 HD2 HIS 26 HD2 HIS 26 12.527 7.947 0.776 214 HE1 HIS 26 HE1 HIS 26 16.497 8.718 1.985 215 H LYS 27 HN LYS 27 12.443 13.577 3.693 216 HA LYS 27 HA LYS 27 9.545 14.326 3.507 217 HB2 LYS 27 HB2 LYS 27 10.649 14.661 5.714 218 HB3 LYS 27 HB1 LYS 27 11.803 15.753 4.946 219 HG2 LYS 27 HG2 LYS 27 9.983 17.242 4.258 220 HG3 LYS 27 HG1 LYS 27 8.793 16.131 4.939 221 HD2 LYS 27 HD2 LYS 27 9.768 16.453 7.181 222 HD3 LYS 27 HD1 LYS 27 10.961 17.563 6.507 223 HE2 LYS 27 HE2 LYS 27 9.266 18.986 7.343 224 HE3 LYS 27 HE1 LYS 27 8.925 18.896 5.615 225 HZ1 LYS 27 HZ1 LYS 27 7.232 17.304 5.995 226 HZ2 LYS 27 HZ2 LYS 27 6.964 18.570 7.095 227 HZ3 LYS 27 HZ3 LYS 27 7.665 17.115 7.624 228 H LYS 28 HN LYS 28 8.921 15.751 2.042 229 HA LYS 28 HA LYS 28 10.906 17.521 0.702 230 HB2 LYS 28 HB2 LYS 28 8.993 15.635 -0.708 231 HB3 LYS 28 HB1 LYS 28 9.852 16.955 -1.505 232 HG2 LYS 28 HG2 LYS 28 12.007 15.984 -0.841 233 HG3 LYS 28 HG1 LYS 28 11.172 14.674 -0.003 234 HD2 LYS 28 HD2 LYS 28 10.129 13.998 -2.164 235 HD3 LYS 28 HD1 LYS 28 11.060 15.255 -2.979 236 HE2 LYS 28 HE2 LYS 28 12.287 13.007 -1.356 237 HE3 LYS 28 HE1 LYS 28 12.135 12.996 -3.112 238 HZ1 LYS 28 HZ1 LYS 28 13.995 14.414 -1.441 239 HZ2 LYS 28 HZ2 LYS 28 13.265 15.398 -2.618 240 HZ3 LYS 28 HZ3 LYS 28 14.112 13.999 -3.081 241 H GLU 29 HN GLU 29 9.903 19.291 -0.409 242 HA GLU 29 HA GLU 29 7.149 19.959 0.590 243 HB2 GLU 29 HB2 GLU 29 9.577 21.740 0.237 244 HB3 GLU 29 HB1 GLU 29 7.944 22.345 0.528 245 HG2 GLU 29 HG2 GLU 29 7.822 21.121 2.634 246 HG3 GLU 29 HG1 GLU 29 9.406 20.404 2.340 247 H TYR 30 HN TYR 30 5.769 20.945 -0.818 248 HA TYR 30 HA TYR 30 6.710 21.520 -3.585 249 HB2 TYR 30 HB2 TYR 30 4.932 20.215 -4.579 250 HB3 TYR 30 HB1 TYR 30 5.879 19.168 -3.530 251 HD1 TYR 30 HD2 TYR 30 5.016 18.932 -1.046 252 HD2 TYR 30 HD1 TYR 30 2.599 20.281 -4.334 253 HE1 TYR 30 HE2 TYR 30 2.961 18.346 0.216 254 HE2 TYR 30 HE1 TYR 30 0.551 19.686 -3.071 255 HH TYR 30 HH TYR 30 -0.268 19.030 -1.108 256 H GLU 31 HN GLU 31 5.188 22.764 -4.801 257 HA GLU 31 HA GLU 31 3.651 24.642 -3.086 258 HB2 GLU 31 HB2 GLU 31 5.425 25.362 -4.827 259 HB3 GLU 31 HB1 GLU 31 4.220 24.947 -6.048 260 HG2 GLU 31 HG2 GLU 31 3.720 26.863 -3.748 261 HG3 GLU 31 HG1 GLU 31 4.178 27.369 -5.373 262 H SER 32 HN SER 32 1.493 24.711 -3.135 263 HA SER 32 HA SER 32 -0.061 23.767 -5.424 264 HB2 SER 32 HB2 SER 32 0.370 21.638 -4.319 265 HB3 SER 32 HB1 SER 32 -0.171 22.295 -2.775 266 HG SER 32 HG SER 32 -1.920 22.593 -4.895 267 H ASP 33 HN ASP 33 -2.057 24.650 -5.445 268 HA ASP 33 HA ASP 33 -3.769 26.146 -4.939 269 HB2 ASP 33 HB2 ASP 33 -3.215 24.945 -2.220 270 HB3 ASP 33 HB1 ASP 33 -4.542 26.064 -2.521 271 H GLY 34 HN GLY 34 -0.953 27.051 -4.863 272 HA2 GLY 34 HA2 GLY 34 0.078 29.133 -4.539 273 HA3 GLY 34 HA1 GLY 34 -1.432 29.717 -3.836 274 H THR 35 HN THR 35 -0.279 26.821 -2.467 275 HA THR 35 HA THR 35 1.131 28.268 -0.264 276 HB THR 35 HB THR 35 -0.100 26.991 1.406 277 HG1 THR 35 HG1 THR 35 -0.637 25.130 0.435 278 HG21 THR 35 HG21 THR 35 -1.038 29.158 0.334 279 HG22 THR 35 HG22 THR 35 -2.129 28.176 1.308 280 HG23 THR 35 HG23 THR 35 -2.200 28.088 -0.452 281 H THR 36 HN THR 36 2.538 26.947 0.948 282 HA THR 36 HA THR 36 3.606 24.642 -0.608 283 HB THR 36 HB THR 36 4.840 26.210 1.681 284 HG1 THR 36 HG1 THR 36 4.500 26.813 -0.855 285 HG21 THR 36 HG21 THR 36 5.781 24.007 1.628 286 HG22 THR 36 HG22 THR 36 6.928 25.055 0.794 287 HG23 THR 36 HG23 THR 36 5.850 24.013 -0.134 288 H LYS 37 HN LYS 37 3.288 22.664 0.056 289 HA LYS 37 HA LYS 37 2.595 22.128 2.929 290 HB2 LYS 37 HB2 LYS 37 1.420 20.890 0.420 291 HB3 LYS 37 HB1 LYS 37 1.152 20.271 2.050 292 HG2 LYS 37 HG2 LYS 37 0.200 22.451 2.719 293 HG3 LYS 37 HG1 LYS 37 0.448 23.058 1.083 294 HD2 LYS 37 HD2 LYS 37 -1.055 21.314 0.197 295 HD3 LYS 37 HD1 LYS 37 -1.301 20.695 1.831 296 HE2 LYS 37 HE2 LYS 37 -2.265 22.856 2.518 297 HE3 LYS 37 HE1 LYS 37 -2.007 23.494 0.894 298 HZ1 LYS 37 HZ1 LYS 37 -3.462 20.986 1.061 299 HZ2 LYS 37 HZ2 LYS 37 -3.729 22.337 0.065 300 HZ3 LYS 37 HZ3 LYS 37 -4.271 22.344 1.675 301 H SER 38 HN SER 38 3.568 20.379 3.831 302 HA SER 38 HA SER 38 5.917 19.301 2.440 303 HB2 SER 38 HB2 SER 38 6.502 18.349 4.589 304 HB3 SER 38 HB1 SER 38 5.974 20.008 4.843 305 HG SER 38 HG SER 38 4.489 19.224 6.092 306 H VAL 39 HN VAL 39 6.271 17.174 1.953 307 HA VAL 39 HA VAL 39 3.983 15.267 2.224 308 HB VAL 39 HB VAL 39 4.122 16.353 -0.080 309 HG11 VAL 39 HG11 VAL 39 6.514 14.542 -0.449 310 HG12 VAL 39 HG12 VAL 39 6.690 16.256 -0.072 311 HG13 VAL 39 HG13 VAL 39 5.886 15.760 -1.560 312 HG21 VAL 39 HG21 VAL 39 3.007 14.187 0.392 313 HG22 VAL 39 HG22 VAL 39 4.533 13.354 0.096 314 HG23 VAL 39 HG23 VAL 39 3.729 14.217 -1.215 315 H TYR 40 HN TYR 40 4.559 13.260 2.768 316 HA TYR 40 HA TYR 40 7.461 12.703 3.201 317 HB2 TYR 40 HB2 TYR 40 4.961 11.440 4.371 318 HB3 TYR 40 HB1 TYR 40 6.608 10.900 4.707 319 HD1 TYR 40 HD2 TYR 40 4.199 13.679 5.111 320 HD2 TYR 40 HD1 TYR 40 8.107 12.189 6.084 321 HE1 TYR 40 HE2 TYR 40 4.442 15.442 6.840 322 HE2 TYR 40 HE1 TYR 40 8.351 13.951 7.811 323 HH TYR 40 HH TYR 40 5.717 16.271 8.450 324 H GLN 41 HN GLN 41 8.457 11.210 2.055 325 HA GLN 41 HA GLN 41 6.850 9.287 0.402 326 HB2 GLN 41 HB2 GLN 41 9.362 10.815 -0.351 327 HB3 GLN 41 HB1 GLN 41 8.678 9.492 -1.299 328 HG2 GLN 41 HG2 GLN 41 6.580 10.730 -1.566 329 HG3 GLN 41 HG1 GLN 41 7.211 12.044 -0.572 330 HE21 GLN 41 HE21 GLN 41 6.610 13.138 -2.838 331 HE22 GLN 41 HE22 GLN 41 7.894 13.250 -3.943 332 H GLY 42 HN GLY 42 7.862 7.297 -0.023 333 HA2 GLY 42 HA2 GLY 42 10.410 6.499 1.005 334 HA3 GLY 42 HA1 GLY 42 9.171 6.089 2.186 335 H TYR 43 HN TYR 43 9.981 3.889 1.641 336 HA TYR 43 HA TYR 43 8.599 2.769 -0.783 337 HB2 TYR 43 HB2 TYR 43 11.103 1.778 0.616 338 HB3 TYR 43 HB1 TYR 43 10.305 0.986 -0.742 339 HD1 TYR 43 HD1 TYR 43 12.252 3.941 0.316 340 HD2 TYR 43 HD2 TYR 43 10.422 1.893 -2.987 341 HE1 TYR 43 HE1 TYR 43 13.486 5.396 -1.271 342 HE2 TYR 43 HE2 TYR 43 11.656 3.348 -4.572 343 HH TYR 43 HH TYR 43 12.764 5.442 -4.660 344 H ILE 44 HN ILE 44 7.299 1.063 -0.497 345 HA ILE 44 HA ILE 44 6.996 -0.059 2.267 346 HB ILE 44 HB ILE 44 5.105 1.452 1.572 347 HG12 ILE 44 HG12 ILE 44 4.280 -1.452 1.773 348 HG13 ILE 44 HG11 ILE 44 4.902 -0.535 3.144 349 HG21 ILE 44 HG21 ILE 44 3.613 0.787 -0.195 350 HG22 ILE 44 HG22 ILE 44 4.476 -0.727 -0.436 351 HG23 ILE 44 HG23 ILE 44 5.239 0.800 -0.876 352 HD11 ILE 44 HD11 ILE 44 3.090 1.132 2.833 353 HD12 ILE 44 HD12 ILE 44 2.456 -0.483 3.154 354 HD13 ILE 44 HD13 ILE 44 2.444 0.159 1.510 355 H GLU 45 HN GLU 45 7.088 -2.221 2.386 356 HA GLU 45 HA GLU 45 6.805 -3.822 -0.129 357 HB2 GLU 45 HB2 GLU 45 8.765 -5.141 0.468 358 HB3 GLU 45 HB1 GLU 45 9.215 -3.443 0.336 359 HG2 GLU 45 HG2 GLU 45 9.003 -3.230 2.817 360 HG3 GLU 45 HG1 GLU 45 8.663 -4.957 2.911 361 H ASP 46 HN ASP 46 6.305 -5.998 0.177 362 HA ASP 46 HA ASP 46 5.707 -7.135 2.765 363 HB2 ASP 46 HB2 ASP 46 3.189 -7.306 2.258 364 HB3 ASP 46 HB1 ASP 46 3.798 -5.769 2.844 365 H ASP 47 HN ASP 47 6.787 -8.900 1.996 366 HA ASP 47 HA ASP 47 7.170 -10.912 0.848 367 HB2 ASP 47 HB2 ASP 47 4.976 -11.385 1.923 368 HB3 ASP 47 HB1 ASP 47 4.159 -10.764 0.489 369 H THR 48 HN THR 48 4.399 -9.822 -1.055 370 HA THR 48 HA THR 48 5.137 -10.593 -3.553 371 HB THR 48 HB THR 48 3.909 -8.637 -4.465 372 HG1 THR 48 HG1 THR 48 3.026 -7.371 -2.475 373 HG21 THR 48 HG21 THR 48 2.752 -10.631 -3.399 374 HG22 THR 48 HG22 THR 48 1.803 -9.148 -3.456 375 HG23 THR 48 HG23 THR 48 2.566 -9.645 -1.948 376 H ALA 49 HN ALA 49 5.615 -7.149 -2.939 377 HA ALA 49 HA ALA 49 8.479 -7.280 -3.560 378 HB1 ALA 49 HB1 ALA 49 8.392 -6.057 -5.623 379 HB2 ALA 49 HB2 ALA 49 6.655 -5.779 -5.463 380 HB3 ALA 49 HB3 ALA 49 7.266 -7.401 -5.793 381 H ARG 50 HN ARG 50 8.233 -4.471 -4.626 382 HA ARG 50 HA ARG 50 7.341 -2.995 -2.215 383 HB2 ARG 50 HB2 ARG 50 9.458 -1.834 -1.994 384 HB3 ARG 50 HB1 ARG 50 9.767 -3.567 -1.932 385 HG2 ARG 50 HG2 ARG 50 10.234 -3.436 -4.447 386 HG3 ARG 50 HG1 ARG 50 10.231 -1.683 -4.259 387 HD2 ARG 50 HD2 ARG 50 12.029 -3.603 -2.746 388 HD3 ARG 50 HD1 ARG 50 12.530 -2.608 -4.113 389 HE ARG 50 HE ARG 50 12.009 -1.664 -1.367 390 HH11 ARG 50 HH21 ARG 50 12.504 -0.915 -4.721 391 HH12 ARG 50 HH22 ARG 50 12.942 0.731 -4.406 392 HH21 ARG 50 HH11 ARG 50 12.578 0.474 -0.973 393 HH22 ARG 50 HH12 ARG 50 12.978 1.515 -2.299 394 H ILE 51 HN ILE 51 6.916 -0.811 -2.575 395 HA ILE 51 HA ILE 51 7.198 0.267 -5.322 396 HB ILE 51 HB ILE 51 5.003 -0.926 -5.239 397 HG12 ILE 51 HG12 ILE 51 4.637 2.077 -5.315 398 HG13 ILE 51 HG11 ILE 51 5.467 1.186 -6.591 399 HG21 ILE 51 HG21 ILE 51 4.210 1.191 -3.220 400 HG22 ILE 51 HG22 ILE 51 4.646 -0.457 -2.765 401 HG23 ILE 51 HG23 ILE 51 3.242 -0.167 -3.793 402 HD11 ILE 51 HD11 ILE 51 2.644 0.598 -5.655 403 HD12 ILE 51 HD12 ILE 51 3.480 -0.156 -7.012 404 HD13 ILE 51 HD13 ILE 51 3.042 1.551 -7.084 405 H ARG 52 HN ARG 52 6.856 2.545 -5.420 406 HA ARG 52 HA ARG 52 7.778 3.942 -3.040 407 HB2 ARG 52 HB2 ARG 52 6.943 4.959 -5.779 408 HB3 ARG 52 HB1 ARG 52 7.638 5.969 -4.512 409 HG2 ARG 52 HG2 ARG 52 9.676 4.623 -4.508 410 HG3 ARG 52 HG1 ARG 52 8.985 3.526 -5.700 411 HD2 ARG 52 HD2 ARG 52 10.464 5.096 -6.843 412 HD3 ARG 52 HD1 ARG 52 8.797 5.452 -7.294 413 HE ARG 52 HE ARG 52 9.530 7.043 -5.019 414 HH11 ARG 52 HH21 ARG 52 10.095 6.675 -8.430 415 HH12 ARG 52 HH22 ARG 52 10.463 8.353 -8.666 416 HH21 ARG 52 HH11 ARG 52 10.003 9.216 -5.345 417 HH22 ARG 52 HH12 ARG 52 10.409 9.781 -6.931 418 H ILE 53 HN ILE 53 6.673 5.482 -1.863 419 HA ILE 53 HA ILE 53 3.728 5.742 -2.333 420 HB ILE 53 HB ILE 53 3.349 5.486 0.093 421 HG12 ILE 53 HG12 ILE 53 6.240 4.577 0.255 422 HG13 ILE 53 HG11 ILE 53 5.718 6.184 0.746 423 HG21 ILE 53 HG21 ILE 53 3.595 3.088 0.169 424 HG22 ILE 53 HG22 ILE 53 4.898 3.130 -1.018 425 HG23 ILE 53 HG23 ILE 53 3.249 3.536 -1.500 426 HD11 ILE 53 HD11 ILE 53 5.848 4.491 2.621 427 HD12 ILE 53 HD12 ILE 53 4.491 3.661 1.861 428 HD13 ILE 53 HD13 ILE 53 4.293 5.306 2.455 429 H SER 54 HN SER 54 2.802 7.624 -1.440 430 HA SER 54 HA SER 54 4.628 9.693 -0.343 431 HB2 SER 54 HB2 SER 54 4.615 10.023 -2.800 432 HB3 SER 54 HB1 SER 54 2.858 10.162 -2.765 433 HG SER 54 HG SER 54 3.484 11.834 -1.011 434 H SER 55 HN SER 55 3.674 10.839 1.196 435 HA SER 55 HA SER 55 0.685 10.828 1.419 436 HB2 SER 55 HB2 SER 55 0.744 10.072 3.596 437 HB3 SER 55 HB1 SER 55 2.188 9.265 3.004 438 HG SER 55 HG SER 55 3.089 11.547 3.661 439 H PHE 56 HN PHE 56 -0.188 12.721 1.885 440 HA PHE 56 HA PHE 56 1.603 15.082 2.142 441 HB2 PHE 56 HB2 PHE 56 -1.388 14.898 1.649 442 HB3 PHE 56 HB1 PHE 56 -0.422 16.373 1.596 443 HD1 PHE 56 HD2 PHE 56 1.485 16.535 -0.082 444 HD2 PHE 56 HD1 PHE 56 -1.496 13.446 -0.231 445 HE1 PHE 56 HE2 PHE 56 2.087 16.068 -2.442 446 HE2 PHE 56 HE1 PHE 56 -0.894 12.978 -2.591 447 HZ PHE 56 HZ PHE 56 0.897 14.289 -3.696 448 H GLY 57 HN GLY 57 1.969 15.954 4.035 449 HA2 GLY 57 HA2 GLY 57 1.647 16.813 6.182 450 HA3 GLY 57 HA1 GLY 57 -0.074 16.509 5.984 451 H LYS 58 HN LYS 58 0.404 13.630 5.430 452 HA LYS 58 HA LYS 58 0.263 12.716 8.175 453 HB2 LYS 58 HB2 LYS 58 0.337 11.235 5.540 454 HB3 LYS 58 HB1 LYS 58 0.106 10.442 7.095 455 HG2 LYS 58 HG2 LYS 58 -1.899 11.816 7.505 456 HG3 LYS 58 HG1 LYS 58 -1.667 12.625 5.955 457 HD2 LYS 58 HD2 LYS 58 -1.927 10.471 4.782 458 HD3 LYS 58 HD1 LYS 58 -2.147 9.652 6.328 459 HE2 LYS 58 HE2 LYS 58 -4.157 11.011 6.770 460 HE3 LYS 58 HE1 LYS 58 -3.935 11.845 5.231 461 HZ1 LYS 58 HZ1 LYS 58 -4.580 10.033 4.045 462 HZ2 LYS 58 HZ2 LYS 58 -5.494 9.759 5.451 463 HZ3 LYS 58 HZ3 LYS 58 -4.038 8.921 5.205 464 H GLN 59 HN GLN 59 1.756 11.746 9.388 465 HA GLN 59 HA GLN 59 4.548 11.734 8.398 466 HB2 GLN 59 HB2 GLN 59 3.989 12.856 10.553 467 HB3 GLN 59 HB1 GLN 59 3.464 11.302 11.203 468 HG2 GLN 59 HG2 GLN 59 5.766 11.738 11.896 469 HG3 GLN 59 HG1 GLN 59 5.745 10.387 10.768 470 HE21 GLN 59 HE21 GLN 59 7.768 10.657 9.750 471 HE22 GLN 59 HE22 GLN 59 8.220 12.055 8.899 472 H LEU 60 HN LEU 60 5.854 9.943 8.464 473 HA LEU 60 HA LEU 60 4.563 7.288 8.993 474 HB2 LEU 60 HB2 LEU 60 6.409 7.996 6.685 475 HB3 LEU 60 HB1 LEU 60 5.777 6.393 7.043 476 HG LEU 60 HG LEU 60 4.053 8.816 6.447 477 HD11 LEU 60 HD11 LEU 60 3.738 7.921 4.246 478 HD12 LEU 60 HD12 LEU 60 4.578 6.427 4.662 479 HD13 LEU 60 HD13 LEU 60 5.480 7.934 4.524 480 HD21 LEU 60 HD21 LEU 60 2.400 6.786 6.038 481 HD22 LEU 60 HD22 LEU 60 2.680 7.371 7.671 482 HD23 LEU 60 HD23 LEU 60 3.506 5.921 7.104 483 H GLN 61 HN GLN 61 5.973 5.658 9.675 484 HA GLN 61 HA GLN 61 8.672 6.573 10.629 485 HB2 GLN 61 HB2 GLN 61 6.604 4.862 12.022 486 HB3 GLN 61 HB1 GLN 61 8.288 4.956 12.541 487 HG2 GLN 61 HG2 GLN 61 8.082 7.371 12.842 488 HG3 GLN 61 HG1 GLN 61 6.427 7.329 12.235 489 HE21 GLN 61 HE21 GLN 61 6.341 8.372 14.630 490 HE22 GLN 61 HE22 GLN 61 5.964 7.264 15.861 491 H ASP 62 HN ASP 62 10.333 5.261 10.232 492 HA ASP 62 HA ASP 62 10.142 3.243 8.223 493 HB2 ASP 62 HB2 ASP 62 12.183 4.589 8.611 494 HB3 ASP 62 HB1 ASP 62 12.416 3.786 10.164 495 H SER 63 HN SER 63 9.938 1.129 8.311 496 HA SER 63 HA SER 63 9.866 -1.065 9.111 497 HB2 SER 63 HB2 SER 63 11.071 -1.628 11.001 498 HB3 SER 63 HB1 SER 63 11.757 -0.038 10.673 499 HG SER 63 HG SER 63 9.771 -0.777 12.543 500 H ASP 64 HN ASP 64 7.894 1.364 9.730 501 HA ASP 64 HA ASP 64 6.218 0.174 11.827 502 HB2 ASP 64 HB2 ASP 64 4.893 2.136 11.640 503 HB3 ASP 64 HB1 ASP 64 6.551 2.664 11.401 504 H VAL 65 HN VAL 65 4.712 -1.303 11.471 505 HA VAL 65 HA VAL 65 3.915 -2.018 8.719 506 HB VAL 65 HB VAL 65 2.944 -3.261 11.311 507 HG11 VAL 65 HG11 VAL 65 1.759 -3.782 9.157 508 HG12 VAL 65 HG12 VAL 65 2.514 -5.192 9.900 509 HG13 VAL 65 HG13 VAL 65 3.282 -4.404 8.521 510 HG21 VAL 65 HG21 VAL 65 5.348 -3.373 11.415 511 HG22 VAL 65 HG22 VAL 65 5.463 -3.787 9.705 512 HG23 VAL 65 HG23 VAL 65 4.795 -4.950 10.849 513 H VAL 66 HN VAL 66 2.257 -0.979 7.813 514 HA VAL 66 HA VAL 66 -0.162 -0.398 9.448 515 HB VAL 66 HB VAL 66 -0.326 1.866 8.492 516 HG11 VAL 66 HG11 VAL 66 0.842 1.347 10.692 517 HG12 VAL 66 HG12 VAL 66 1.273 2.884 9.946 518 HG13 VAL 66 HG13 VAL 66 2.366 1.505 9.821 519 HG21 VAL 66 HG21 VAL 66 0.912 1.718 6.453 520 HG22 VAL 66 HG22 VAL 66 2.352 1.129 7.285 521 HG23 VAL 66 HG23 VAL 66 1.837 2.804 7.488 522 H ARG 67 HN ARG 67 -2.010 0.163 8.136 523 HA ARG 67 HA ARG 67 -1.950 -1.073 5.404 524 HB2 ARG 67 HB2 ARG 67 -3.185 -2.429 7.096 525 HB3 ARG 67 HB1 ARG 67 -4.247 -1.049 7.381 526 HG2 ARG 67 HG2 ARG 67 -4.979 -1.078 5.053 527 HG3 ARG 67 HG1 ARG 67 -3.840 -2.374 4.685 528 HD2 ARG 67 HD2 ARG 67 -6.059 -3.339 5.005 529 HD3 ARG 67 HD1 ARG 67 -5.021 -3.829 6.344 530 HE ARG 67 HE ARG 67 -6.429 -1.410 7.022 531 HH11 ARG 67 HH21 ARG 67 -6.842 -4.833 6.579 532 HH12 ARG 67 HH22 ARG 67 -8.151 -4.936 7.711 533 HH21 ARG 67 HH11 ARG 67 -8.127 -1.561 8.483 534 HH22 ARG 67 HH12 ARG 67 -8.875 -3.096 8.779 535 H ILE 68 HN ILE 68 -2.567 0.229 3.813 536 HA ILE 68 HA ILE 68 -3.821 2.861 4.508 537 HB ILE 68 HB ILE 68 -2.366 2.052 1.966 538 HG12 ILE 68 HG12 ILE 68 -1.379 3.771 4.266 539 HG13 ILE 68 HG11 ILE 68 -0.944 2.076 4.068 540 HG21 ILE 68 HG21 ILE 68 -2.366 4.484 1.559 541 HG22 ILE 68 HG22 ILE 68 -3.223 4.747 3.077 542 HG23 ILE 68 HG23 ILE 68 -4.017 3.903 1.753 543 HD11 ILE 68 HD11 ILE 68 0.096 2.538 1.921 544 HD12 ILE 68 HD12 ILE 68 0.759 3.650 3.118 545 HD13 ILE 68 HD13 ILE 68 -0.457 4.211 1.971 546 H ASP 69 HN ASP 69 -5.811 3.249 3.883 547 HA ASP 69 HA ASP 69 -7.133 1.416 1.908 548 HB2 ASP 69 HB2 ASP 69 -8.241 2.898 4.307 549 HB3 ASP 69 HB1 ASP 69 -9.252 2.118 3.092 550 H ASN 70 HN ASN 70 -8.307 2.294 0.305 551 HA ASN 70 HA ASN 70 -9.022 3.827 -1.285 552 HB2 ASN 70 HB2 ASN 70 -10.279 4.664 0.751 553 HB3 ASN 70 HB1 ASN 70 -9.001 5.866 0.945 554 HD21 ASN 70 HD21 ASN 70 -10.232 7.728 0.337 555 HD22 ASN 70 HD22 ASN 70 -10.883 7.939 -1.217 556 H ALA 71 HN ALA 71 -6.224 3.395 -0.990 557 HA ALA 71 HA ALA 71 -4.806 5.928 -1.086 558 HB1 ALA 71 HB1 ALA 71 -3.834 3.593 -0.541 559 HB2 ALA 71 HB2 ALA 71 -2.875 4.645 -1.576 560 HB3 ALA 71 HB3 ALA 71 -3.815 3.332 -2.284 561 H ARG 72 HN ARG 72 -4.079 7.026 -2.906 562 HA ARG 72 HA ARG 72 -5.635 6.500 -5.389 563 HB2 ARG 72 HB2 ARG 72 -5.657 8.779 -4.379 564 HB3 ARG 72 HB1 ARG 72 -3.920 8.893 -4.646 565 HG2 ARG 72 HG2 ARG 72 -4.281 8.563 -7.078 566 HG3 ARG 72 HG1 ARG 72 -6.017 8.478 -6.793 567 HD2 ARG 72 HD2 ARG 72 -5.435 10.734 -7.519 568 HD3 ARG 72 HD1 ARG 72 -5.931 10.781 -5.826 569 HE ARG 72 HE ARG 72 -3.094 10.434 -5.942 570 HH11 ARG 72 HH21 ARG 72 -5.594 12.746 -6.613 571 HH12 ARG 72 HH22 ARG 72 -4.574 14.114 -6.312 572 HH21 ARG 72 HH11 ARG 72 -1.778 12.218 -5.546 573 HH22 ARG 72 HH12 ARG 72 -2.424 13.816 -5.712 574 H VAL 73 HN VAL 73 -4.736 5.780 -7.190 575 HA VAL 73 HA VAL 73 -1.906 4.991 -7.201 576 HB VAL 73 HB VAL 73 -4.093 4.676 -9.290 577 HG11 VAL 73 HG11 VAL 73 -1.999 4.592 -10.432 578 HG12 VAL 73 HG12 VAL 73 -2.444 2.910 -10.150 579 HG13 VAL 73 HG13 VAL 73 -1.239 3.687 -9.125 580 HG21 VAL 73 HG21 VAL 73 -2.852 2.591 -7.472 581 HG22 VAL 73 HG22 VAL 73 -4.287 2.420 -8.484 582 HG23 VAL 73 HG23 VAL 73 -4.332 3.457 -7.058 583 H ALA 74 HN ALA 74 -0.308 6.050 -8.190 584 HA ALA 74 HA ALA 74 -0.906 8.079 -10.282 585 HB1 ALA 74 HB1 ALA 74 0.276 9.824 -9.186 586 HB2 ALA 74 HB2 ALA 74 0.919 8.731 -7.960 587 HB3 ALA 74 HB3 ALA 74 -0.793 9.155 -7.957 588 H GLN 75 HN GLN 75 0.911 8.597 -11.578 589 HA GLN 75 HA GLN 75 3.182 6.633 -11.406 590 HB2 GLN 75 HB2 GLN 75 1.641 6.203 -13.306 591 HB3 GLN 75 HB1 GLN 75 1.939 7.839 -13.897 592 HG2 GLN 75 HG2 GLN 75 4.320 7.356 -14.153 593 HG3 GLN 75 HG1 GLN 75 4.093 5.753 -13.454 594 HE21 GLN 75 HE21 GLN 75 3.966 4.154 -15.013 595 HE22 GLN 75 HE22 GLN 75 3.338 4.354 -16.578 596 H PHE 76 HN PHE 76 4.990 7.618 -10.898 597 HA PHE 76 HA PHE 76 5.529 10.392 -11.918 598 HB2 PHE 76 HB2 PHE 76 6.278 9.078 -9.293 599 HB3 PHE 76 HB1 PHE 76 7.070 10.538 -9.889 600 HD1 PHE 76 HD1 PHE 76 5.658 12.575 -10.422 601 HD2 PHE 76 HD2 PHE 76 4.137 9.192 -8.253 602 HE1 PHE 76 HE1 PHE 76 3.787 13.962 -9.571 603 HE2 PHE 76 HE2 PHE 76 2.266 10.580 -7.403 604 HZ PHE 76 HZ PHE 76 2.090 12.964 -8.062 605 H ASN 77 HN ASN 77 7.272 10.612 -13.121 606 HA ASN 77 HA ASN 77 9.190 10.128 -14.347 607 HB2 ASN 77 HB2 ASN 77 10.200 10.303 -12.105 608 HB3 ASN 77 HB1 ASN 77 9.918 8.586 -11.848 609 HD21 ASN 77 HD21 ASN 77 12.245 8.154 -11.727 610 HD22 ASN 77 HD22 ASN 77 13.220 8.192 -13.116 611 H GLY 78 HN GLY 78 6.842 8.242 -14.378 612 HA2 GLY 78 HA2 GLY 78 6.401 6.397 -15.795 613 HA3 GLY 78 HA1 GLY 78 8.139 6.160 -15.989 614 H TYR 79 HN TYR 79 7.281 6.551 -12.756 615 HA TYR 79 HA TYR 79 7.322 3.582 -12.307 616 HB2 TYR 79 HB2 TYR 79 8.448 5.868 -10.667 617 HB3 TYR 79 HB1 TYR 79 8.259 4.229 -10.038 618 HD1 TYR 79 HD1 TYR 79 9.592 2.376 -10.903 619 HD2 TYR 79 HD2 TYR 79 10.072 6.353 -12.434 620 HE1 TYR 79 HE1 TYR 79 11.707 1.697 -12.005 621 HE2 TYR 79 HE2 TYR 79 12.187 5.682 -13.537 622 HH TYR 79 HH TYR 79 13.070 2.521 -14.033 623 H LEU 80 HN LEU 80 5.773 2.719 -11.081 624 HA LEU 80 HA LEU 80 3.396 4.287 -10.524 625 HB2 LEU 80 HB2 LEU 80 4.171 1.388 -10.162 626 HB3 LEU 80 HB1 LEU 80 2.665 1.998 -9.490 627 HG LEU 80 HG LEU 80 2.452 1.006 -11.811 628 HD11 LEU 80 HD11 LEU 80 1.756 3.917 -12.062 629 HD12 LEU 80 HD12 LEU 80 1.049 3.028 -10.718 630 HD13 LEU 80 HD13 LEU 80 0.774 2.493 -12.366 631 HD21 LEU 80 HD21 LEU 80 3.837 3.542 -12.708 632 HD22 LEU 80 HD22 LEU 80 3.376 2.152 -13.694 633 HD23 LEU 80 HD23 LEU 80 4.700 2.013 -12.540 634 H SER 81 HN SER 81 2.575 4.903 -8.619 635 HA SER 81 HA SER 81 3.845 4.125 -6.080 636 HB2 SER 81 HB2 SER 81 4.651 6.224 -5.445 637 HB3 SER 81 HB1 SER 81 5.092 6.161 -7.149 638 HG SER 81 HG SER 81 2.942 7.512 -5.899 639 H LEU 82 HN LEU 82 2.639 4.892 -4.232 640 HA LEU 82 HA LEU 82 -0.250 5.381 -4.880 641 HB2 LEU 82 HB2 LEU 82 0.954 4.228 -2.343 642 HB3 LEU 82 HB1 LEU 82 -0.756 4.314 -2.765 643 HG LEU 82 HG LEU 82 1.341 2.750 -4.298 644 HD11 LEU 82 HD11 LEU 82 -0.896 1.849 -2.456 645 HD12 LEU 82 HD12 LEU 82 0.831 1.739 -2.117 646 HD13 LEU 82 HD13 LEU 82 0.124 0.775 -3.413 647 HD21 LEU 82 HD21 LEU 82 -0.297 3.315 -5.887 648 HD22 LEU 82 HD22 LEU 82 -1.604 3.277 -4.703 649 HD23 LEU 82 HD23 LEU 82 -0.890 1.772 -5.279 650 H SER 83 HN SER 83 -1.085 7.243 -4.346 651 HA SER 83 HA SER 83 0.407 9.083 -2.527 652 HB2 SER 83 HB2 SER 83 -1.673 9.522 -4.677 653 HB3 SER 83 HB1 SER 83 -1.254 10.780 -3.516 654 HG SER 83 HG SER 83 1.009 10.205 -4.209 655 H VAL 84 HN VAL 84 -0.312 9.337 -0.547 656 HA VAL 84 HA VAL 84 -3.070 8.456 0.180 657 HB VAL 84 HB VAL 84 -0.807 9.168 2.068 658 HG11 VAL 84 HG11 VAL 84 -3.000 9.061 3.096 659 HG12 VAL 84 HG12 VAL 84 -2.111 7.606 3.545 660 HG13 VAL 84 HG13 VAL 84 -3.346 7.530 2.293 661 HG21 VAL 84 HG21 VAL 84 -1.425 6.576 0.635 662 HG22 VAL 84 HG22 VAL 84 -0.546 6.604 2.164 663 HG23 VAL 84 HG23 VAL 84 0.122 7.415 0.747 664 H GLY 85 HN GLY 85 -4.480 10.064 0.088 665 HA2 GLY 85 HA2 GLY 85 -3.669 12.858 0.668 666 HA3 GLY 85 HA1 GLY 85 -5.182 12.352 -0.075 667 H ASP 86 HN ASP 86 -5.656 14.080 1.709 668 HA ASP 86 HA ASP 86 -5.765 13.276 4.468 669 HB2 ASP 86 HB2 ASP 86 -7.245 15.386 2.864 670 HB3 ASP 86 HB1 ASP 86 -7.469 15.179 4.601 671 H SER 87 HN SER 87 -7.663 12.520 1.712 672 HA SER 87 HA SER 87 -10.081 11.801 3.241 673 HB2 SER 87 HB2 SER 87 -11.009 11.219 1.070 674 HB3 SER 87 HB1 SER 87 -10.190 12.768 0.932 675 HG SER 87 HG SER 87 -8.311 11.380 0.276 676 H SER 88 HN SER 88 -7.111 10.378 2.572 677 HA SER 88 HA SER 88 -8.080 7.615 2.327 678 HB2 SER 88 HB2 SER 88 -6.000 8.208 1.198 679 HB3 SER 88 HB1 SER 88 -5.296 8.763 2.714 680 HG SER 88 HG SER 88 -5.359 6.662 3.474 681 H ARG 89 HN ARG 89 -7.306 5.976 3.891 682 HA ARG 89 HA ARG 89 -7.206 7.028 6.707 683 HB2 ARG 89 HB2 ARG 89 -8.862 4.747 5.593 684 HB3 ARG 89 HB1 ARG 89 -8.587 5.003 7.317 685 HG2 ARG 89 HG2 ARG 89 -9.596 7.230 7.177 686 HG3 ARG 89 HG1 ARG 89 -9.807 7.046 5.436 687 HD2 ARG 89 HD2 ARG 89 -11.921 6.559 6.570 688 HD3 ARG 89 HD1 ARG 89 -11.279 5.086 5.846 689 HE ARG 89 HE ARG 89 -10.889 4.216 8.024 690 HH11 ARG 89 HH21 ARG 89 -11.743 7.575 8.070 691 HH12 ARG 89 HH22 ARG 89 -11.976 7.614 9.786 692 HH21 ARG 89 HH11 ARG 89 -11.195 4.271 10.249 693 HH22 ARG 89 HH12 ARG 89 -11.669 5.750 11.014 694 H ILE 90 HN ILE 90 -5.797 6.042 8.025 695 HA ILE 90 HA ILE 90 -4.234 3.704 6.965 696 HB ILE 90 HB ILE 90 -3.240 6.055 8.614 697 HG12 ILE 90 HG12 ILE 90 -2.414 5.136 5.845 698 HG13 ILE 90 HG11 ILE 90 -3.612 6.400 6.118 699 HG21 ILE 90 HG21 ILE 90 -1.986 3.439 7.762 700 HG22 ILE 90 HG22 ILE 90 -2.058 4.144 9.378 701 HG23 ILE 90 HG23 ILE 90 -1.003 4.850 8.155 702 HD11 ILE 90 HD11 ILE 90 -0.705 6.424 6.982 703 HD12 ILE 90 HD12 ILE 90 -1.890 7.629 7.491 704 HD13 ILE 90 HD13 ILE 90 -1.467 7.473 5.786 705 H GLU 91 HN GLU 91 -4.192 1.989 8.254 706 HA GLU 91 HA GLU 91 -5.137 2.270 11.095 707 HB2 GLU 91 HB2 GLU 91 -5.401 -0.075 9.183 708 HB3 GLU 91 HB1 GLU 91 -5.885 -0.085 10.877 709 HG2 GLU 91 HG2 GLU 91 -7.897 0.437 9.795 710 HG3 GLU 91 HG1 GLU 91 -7.296 2.026 10.252 711 H SER 92 HN SER 92 -3.700 1.814 12.581 712 HA SER 92 HA SER 92 -1.040 0.885 11.961 713 HB2 SER 92 HB2 SER 92 -0.627 1.081 14.339 714 HB3 SER 92 HB1 SER 92 -1.611 2.451 13.838 715 HG SER 92 HG SER 92 -2.487 1.541 15.695 716 H VAL 93 HN VAL 93 -0.074 -1.060 12.392 717 HA VAL 93 HA VAL 93 -1.902 -3.345 13.106 718 HB VAL 93 HB VAL 93 0.401 -3.203 11.132 719 HG11 VAL 93 HG11 VAL 93 -0.243 -5.672 10.783 720 HG12 VAL 93 HG12 VAL 93 -1.050 -5.562 12.346 721 HG13 VAL 93 HG13 VAL 93 0.690 -5.298 12.232 722 HG21 VAL 93 HG21 VAL 93 -2.491 -4.057 10.806 723 HG22 VAL 93 HG22 VAL 93 -1.306 -3.825 9.522 724 HG23 VAL 93 HG23 VAL 93 -1.900 -2.438 10.435 725 H ASN 94 HN ASN 94 -1.317 -4.530 14.792 726 HA ASN 94 HA ASN 94 1.511 -4.446 15.791 727 HB2 ASN 94 HB2 ASN 94 -1.057 -4.106 17.380 728 HB3 ASN 94 HB1 ASN 94 0.485 -4.528 18.125 729 HD21 ASN 94 HD21 ASN 94 2.125 -2.869 16.322 730 HD22 ASN 94 HD22 ASN 94 1.822 -1.253 16.740 731 H VAL 95 HN VAL 95 -1.544 -6.031 16.766 732 HA VAL 95 HA VAL 95 -0.233 -8.696 16.304 733 HB VAL 95 HB VAL 95 -1.724 -9.406 18.325 734 HG11 VAL 95 HG11 VAL 95 0.084 -8.776 19.898 735 HG12 VAL 95 HG12 VAL 95 0.721 -7.652 18.697 736 HG13 VAL 95 HG13 VAL 95 0.723 -9.385 18.372 737 HG21 VAL 95 HG21 VAL 95 -2.235 -7.681 19.928 738 HG22 VAL 95 HG22 VAL 95 -2.910 -7.157 18.387 739 HG23 VAL 95 HG23 VAL 95 -1.400 -6.458 18.970 740 H ASN 96 HN ASN 96 -1.274 -9.674 14.744 741 HA ASN 96 HA ASN 96 -4.010 -8.991 13.989 742 HB2 ASN 96 HB2 ASN 96 -2.121 -9.642 12.390 743 HB3 ASN 96 HB1 ASN 96 -2.352 -11.301 12.942 744 HD21 ASN 96 HD21 ASN 96 -4.386 -8.549 11.768 745 HD22 ASN 96 HD22 ASN 96 -5.414 -9.520 10.827 746 H ILE 97 HN ILE 97 -5.750 -10.477 13.915 747 HA ILE 97 HA ILE 97 -5.542 -12.907 15.637 748 HB ILE 97 HB ILE 97 -7.810 -10.918 15.941 749 HG12 ILE 97 HG12 ILE 97 -5.289 -11.197 17.619 750 HG13 ILE 97 HG11 ILE 97 -5.704 -9.812 16.609 751 HG21 ILE 97 HG21 ILE 97 -6.793 -13.132 17.750 752 HG22 ILE 97 HG22 ILE 97 -8.121 -13.327 16.605 753 HG23 ILE 97 HG23 ILE 97 -8.276 -12.197 17.950 754 HD11 ILE 97 HD11 ILE 97 -7.861 -9.651 17.995 755 HD12 ILE 97 HD12 ILE 97 -6.367 -9.191 18.810 756 HD13 ILE 97 HD13 ILE 97 -7.090 -10.769 19.119 757 HA PRO 98 HA PRO 98 -7.738 -13.607 11.571 758 HB2 PRO 98 HB2 PRO 98 -6.410 -16.257 11.995 759 HB3 PRO 98 HB1 PRO 98 -6.475 -15.251 10.534 760 HG2 PRO 98 HG2 PRO 98 -4.244 -15.438 11.976 761 HG3 PRO 98 HG1 PRO 98 -4.727 -13.902 11.232 762 HD2 PRO 98 HD2 PRO 98 -4.961 -14.756 14.104 763 HD3 PRO 98 HD1 PRO 98 -4.525 -13.165 13.433 764 H LEU 99 HN LEU 99 -9.647 -14.717 11.302 765 HA LEU 99 HA LEU 99 -11.618 -15.771 11.926 766 HB2 LEU 99 HB2 LEU 99 -9.847 -17.702 11.848 767 HB3 LEU 99 HB1 LEU 99 -9.992 -17.679 13.605 768 HG LEU 99 HG LEU 99 -12.319 -17.974 11.676 769 HD11 LEU 99 HD11 LEU 99 -11.138 -20.058 13.521 770 HD12 LEU 99 HD12 LEU 99 -10.702 -19.925 11.817 771 HD13 LEU 99 HD13 LEU 99 -12.366 -20.290 12.275 772 HD21 LEU 99 HD21 LEU 99 -13.391 -18.737 13.948 773 HD22 LEU 99 HD22 LEU 99 -13.227 -17.019 13.620 774 HD23 LEU 99 HD23 LEU 99 -12.071 -17.827 14.682 775 H GLU 100 HN GLU 100 -12.524 -14.182 13.176 776 HA GLU 100 HA GLU 100 -12.708 -14.756 16.040 777 HB2 GLU 100 HB2 GLU 100 -10.689 -13.316 15.902 778 HB3 GLU 100 HB1 GLU 100 -11.662 -12.066 15.121 779 HG2 GLU 100 HG2 GLU 100 -13.123 -11.936 17.086 780 HG3 GLU 100 HG1 GLU 100 -12.221 -13.238 17.861 781 H HIS 101 HN HIS 101 -14.864 -15.132 15.346 782 HA HIS 101 HA HIS 101 -17.105 -14.589 15.073 783 HB2 HIS 101 HB2 HIS 101 -16.117 -11.953 16.186 784 HB3 HIS 101 HB1 HIS 101 -17.812 -12.381 15.997 785 HD1 HIS 101 HD1 HIS 101 -16.892 -11.843 18.810 786 HD2 HIS 101 HD2 HIS 101 -16.657 -15.644 17.109 787 HE1 HIS 101 HE1 HIS 101 -16.807 -13.485 20.735 788 H HIS 102 HN HIS 102 -18.226 -14.187 13.304 789 HA HIS 102 HA HIS 102 -17.644 -11.840 11.614 790 HB2 HIS 102 HB2 HIS 102 -17.554 -13.378 9.569 791 HB3 HIS 102 HB1 HIS 102 -16.121 -13.338 10.589 792 HD1 HIS 102 HD1 HIS 102 -15.790 -15.802 9.388 793 HD2 HIS 102 HD2 HIS 102 -18.807 -15.501 12.250 794 HE1 HIS 102 HE1 HIS 102 -16.354 -18.170 10.092 795 H HIS 103 HN HIS 103 -19.220 -11.709 9.794 796 HA HIS 103 HA HIS 103 -21.900 -11.907 10.756 797 HB2 HIS 103 HB2 HIS 103 -22.550 -11.220 8.487 798 HB3 HIS 103 HB1 HIS 103 -21.158 -10.281 9.021 799 HD1 HIS 103 HD1 HIS 103 -18.751 -11.240 8.137 800 HD2 HIS 103 HD2 HIS 103 -22.138 -12.560 6.095 801 HE1 HIS 103 HE1 HIS 103 -17.935 -12.198 5.939 802 H HIS 104 HN HIS 104 -20.121 -13.810 8.340 803 HA HIS 104 HA HIS 104 -20.526 -15.914 7.415 804 HB2 HIS 104 HB2 HIS 104 -20.144 -16.573 9.760 805 HB3 HIS 104 HB1 HIS 104 -21.860 -16.349 10.105 806 HD1 HIS 104 HD1 HIS 104 -19.629 -18.406 7.789 807 HD2 HIS 104 HD2 HIS 104 -23.393 -18.591 9.574 808 HE1 HIS 104 HE1 HIS 104 -20.571 -20.694 7.244 809 H HIS 105 HN HIS 105 -22.814 -13.689 7.777 810 HA HIS 105 HA HIS 105 -25.204 -15.294 7.224 811 HB2 HIS 105 HB2 HIS 105 -24.705 -12.301 7.262 812 HB3 HIS 105 HB1 HIS 105 -26.280 -13.031 6.948 813 HD1 HIS 105 HD1 HIS 105 -26.954 -14.899 8.946 814 HD2 HIS 105 HD2 HIS 105 -24.341 -11.810 9.956 815 HE1 HIS 105 HE1 HIS 105 -26.976 -14.740 11.473 816 H HIS 106 HN HIS 106 -26.205 -15.532 5.286 817 HA HIS 106 HA HIS 106 -25.341 -14.096 2.885 818 HB2 HIS 106 HB2 HIS 106 -23.620 -15.838 2.986 819 HB3 HIS 106 HB1 HIS 106 -24.856 -17.085 3.151 820 HD1 HIS 106 HD1 HIS 106 -23.844 -14.355 0.683 821 HD2 HIS 106 HD2 HIS 106 -25.746 -18.066 0.713 822 HE1 HIS 106 HE1 HIS 106 -24.279 -14.956 -1.739 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 -12.047 0.428 -3.517 2 H2 SER 1 HT2 SER 1 -12.864 0.481 -2.029 3 H3 SER 1 HT3 SER 1 -12.477 -1.015 -2.737 4 HA SER 1 HA SER 1 -10.091 0.385 -2.511 5 HB2 SER 1 HB2 SER 1 -10.032 0.806 -0.080 6 HB3 SER 1 HB1 SER 1 -11.258 1.806 -0.854 7 HG SER 1 HG SER 1 -12.793 0.198 -0.235 8 H ASP 2 HN ASP 2 -10.916 -2.083 -3.373 9 HA ASP 2 HA ASP 2 -10.757 -4.109 -1.319 10 HB2 ASP 2 HB2 ASP 2 -11.867 -4.451 -3.525 11 HB3 ASP 2 HB1 ASP 2 -10.284 -4.394 -4.298 12 H LEU 3 HN LEU 3 -9.030 -5.502 -0.870 13 HA LEU 3 HA LEU 3 -6.420 -4.283 -0.896 14 HB2 LEU 3 HB2 LEU 3 -7.186 -5.724 0.921 15 HB3 LEU 3 HB1 LEU 3 -7.315 -7.085 -0.186 16 HG LEU 3 HG LEU 3 -4.643 -5.779 -0.230 17 HD11 LEU 3 HD11 LEU 3 -3.913 -6.744 1.919 18 HD12 LEU 3 HD12 LEU 3 -5.577 -7.205 2.279 19 HD13 LEU 3 HD13 LEU 3 -5.141 -5.501 2.157 20 HD21 LEU 3 HD21 LEU 3 -5.215 -7.954 -1.333 21 HD22 LEU 3 HD22 LEU 3 -5.498 -8.654 0.260 22 HD23 LEU 3 HD23 LEU 3 -3.884 -8.100 -0.185 23 H VAL 4 HN VAL 4 -4.750 -4.560 -2.290 24 HA VAL 4 HA VAL 4 -4.888 -6.776 -4.294 25 HB VAL 4 HB VAL 4 -4.125 -5.183 -6.043 26 HG11 VAL 4 HG11 VAL 4 -6.693 -4.276 -4.715 27 HG12 VAL 4 HG12 VAL 4 -6.551 -5.756 -5.665 28 HG13 VAL 4 HG13 VAL 4 -6.294 -4.188 -6.431 29 HG21 VAL 4 HG21 VAL 4 -4.528 -2.716 -5.485 30 HG22 VAL 4 HG22 VAL 4 -3.091 -3.446 -4.768 31 HG23 VAL 4 HG23 VAL 4 -4.538 -3.203 -3.791 32 H LYS 5 HN LYS 5 -2.771 -7.156 -5.332 33 HA LYS 5 HA LYS 5 -0.645 -7.093 -3.336 34 HB2 LYS 5 HB2 LYS 5 -1.074 -8.316 -6.040 35 HB3 LYS 5 HB1 LYS 5 0.584 -8.127 -5.496 36 HG2 LYS 5 HG2 LYS 5 -0.229 -10.324 -4.835 37 HG3 LYS 5 HG1 LYS 5 0.003 -9.336 -3.392 38 HD2 LYS 5 HD2 LYS 5 -2.383 -8.809 -3.331 39 HD3 LYS 5 HD1 LYS 5 -2.638 -9.709 -4.826 40 HE2 LYS 5 HE2 LYS 5 -1.894 -11.777 -3.727 41 HE3 LYS 5 HE1 LYS 5 -1.598 -10.887 -2.234 42 HZ1 LYS 5 HZ1 LYS 5 -4.140 -10.211 -2.857 43 HZ2 LYS 5 HZ2 LYS 5 -3.691 -11.412 -1.743 44 HZ3 LYS 5 HZ3 LYS 5 -4.074 -11.835 -3.343 45 H ILE 6 HN ILE 6 1.473 -6.185 -3.718 46 HA ILE 6 HA ILE 6 1.444 -3.489 -4.668 47 HB ILE 6 HB ILE 6 3.727 -5.385 -4.050 48 HG12 ILE 6 HG12 ILE 6 2.668 -3.016 -2.479 49 HG13 ILE 6 HG11 ILE 6 2.136 -4.675 -2.200 50 HG21 ILE 6 HG21 ILE 6 4.721 -3.779 -5.461 51 HG22 ILE 6 HG22 ILE 6 4.992 -3.120 -3.849 52 HG23 ILE 6 HG23 ILE 6 3.697 -2.482 -4.858 53 HD11 ILE 6 HD11 ILE 6 4.436 -5.359 -1.701 54 HD12 ILE 6 HD12 ILE 6 3.974 -4.014 -0.659 55 HD13 ILE 6 HD13 ILE 6 5.016 -3.731 -2.053 56 H ARG 7 HN ARG 7 2.716 -6.496 -6.116 57 HA ARG 7 HA ARG 7 3.726 -5.168 -8.478 58 HB2 ARG 7 HB2 ARG 7 4.110 -7.404 -9.331 59 HB3 ARG 7 HB1 ARG 7 4.545 -7.376 -7.624 60 HG2 ARG 7 HG2 ARG 7 2.258 -8.266 -7.093 61 HG3 ARG 7 HG1 ARG 7 1.969 -8.444 -8.820 62 HD2 ARG 7 HD2 ARG 7 3.935 -9.931 -8.995 63 HD3 ARG 7 HD1 ARG 7 4.202 -9.767 -7.263 64 HE ARG 7 HE ARG 7 2.321 -11.172 -6.856 65 HH11 ARG 7 HH21 ARG 7 2.669 -10.303 -10.184 66 HH12 ARG 7 HH22 ARG 7 1.536 -11.485 -10.742 67 HH21 ARG 7 HH11 ARG 7 0.843 -12.713 -7.577 68 HH22 ARG 7 HH12 ARG 7 0.501 -12.846 -9.270 69 H ASP 8 HN ASP 8 0.593 -6.059 -7.469 70 HA ASP 8 HA ASP 8 -0.459 -6.266 -10.237 71 HB2 ASP 8 HB2 ASP 8 -1.751 -6.534 -7.506 72 HB3 ASP 8 HB1 ASP 8 -2.645 -6.634 -9.024 73 H VAL 9 HN VAL 9 0.438 -3.795 -8.268 74 HA VAL 9 HA VAL 9 -1.830 -2.048 -8.309 75 HB VAL 9 HB VAL 9 1.143 -1.468 -8.193 76 HG11 VAL 9 HG11 VAL 9 -1.267 0.343 -7.920 77 HG12 VAL 9 HG12 VAL 9 0.134 0.552 -8.972 78 HG13 VAL 9 HG13 VAL 9 0.303 0.753 -7.227 79 HG21 VAL 9 HG21 VAL 9 -0.030 -2.780 -6.333 80 HG22 VAL 9 HG22 VAL 9 -0.939 -1.306 -6.006 81 HG23 VAL 9 HG23 VAL 9 0.816 -1.317 -5.835 82 H SER 10 HN SER 10 -2.656 -0.801 -9.924 83 HA SER 10 HA SER 10 -1.014 0.053 -12.183 84 HB2 SER 10 HB2 SER 10 -2.548 -1.029 -13.873 85 HB3 SER 10 HB1 SER 10 -1.523 -2.160 -12.995 86 HG SER 10 HG SER 10 -3.298 -3.072 -12.374 87 H LEU 11 HN LEU 11 -2.350 1.392 -13.717 88 HA LEU 11 HA LEU 11 -3.980 3.266 -12.274 89 HB2 LEU 11 HB2 LEU 11 -3.532 2.816 -15.234 90 HB3 LEU 11 HB1 LEU 11 -4.418 4.192 -14.584 91 HG LEU 11 HG LEU 11 -1.575 3.494 -13.785 92 HD11 LEU 11 HD11 LEU 11 -1.433 4.032 -16.095 93 HD12 LEU 11 HD12 LEU 11 -1.028 5.526 -15.252 94 HD13 LEU 11 HD13 LEU 11 -2.634 5.316 -15.954 95 HD21 LEU 11 HD21 LEU 11 -1.740 6.085 -13.237 96 HD22 LEU 11 HD22 LEU 11 -2.370 4.903 -12.102 97 HD23 LEU 11 HD23 LEU 11 -3.471 5.759 -13.178 98 H SER 12 HN SER 12 -4.704 0.297 -13.867 99 HA SER 12 HA SER 12 -7.386 0.721 -14.669 100 HB2 SER 12 HB2 SER 12 -5.962 -1.721 -13.595 101 HB3 SER 12 HB1 SER 12 -7.630 -1.772 -14.163 102 HG SER 12 HG SER 12 -5.300 -1.675 -15.565 103 H THR 13 HN THR 13 -5.967 0.398 -11.501 104 HA THR 13 HA THR 13 -8.704 0.550 -10.267 105 HB THR 13 HB THR 13 -7.858 -0.701 -8.380 106 HG1 THR 13 HG1 THR 13 -5.413 -0.409 -9.752 107 HG21 THR 13 HG21 THR 13 -8.629 -1.943 -10.413 108 HG22 THR 13 HG22 THR 13 -7.464 -2.848 -9.446 109 HG23 THR 13 HG23 THR 13 -6.948 -2.052 -10.933 110 HA PRO 14 HA PRO 14 -6.381 4.531 -9.496 111 HB2 PRO 14 HB2 PRO 14 -9.230 5.305 -8.951 112 HB3 PRO 14 HB1 PRO 14 -7.986 6.164 -9.882 113 HG2 PRO 14 HG2 PRO 14 -9.976 4.856 -11.088 114 HG3 PRO 14 HG1 PRO 14 -8.342 4.902 -11.779 115 HD2 PRO 14 HD2 PRO 14 -9.735 2.649 -10.383 116 HD3 PRO 14 HD1 PRO 14 -8.526 2.594 -11.685 117 H TYR 15 HN TYR 15 -9.045 3.078 -7.617 118 HA TYR 15 HA TYR 15 -7.707 4.023 -5.098 119 HB2 TYR 15 HB2 TYR 15 -10.622 3.399 -5.649 120 HB3 TYR 15 HB1 TYR 15 -9.958 3.814 -4.067 121 HD1 TYR 15 HD1 TYR 15 -8.644 6.033 -3.868 122 HD2 TYR 15 HD2 TYR 15 -11.261 5.110 -7.146 123 HE1 TYR 15 HE1 TYR 15 -8.794 8.445 -4.426 124 HE2 TYR 15 HE2 TYR 15 -11.414 7.521 -7.702 125 HH TYR 15 HH TYR 15 -11.109 9.760 -6.264 126 H VAL 16 HN VAL 16 -6.916 2.472 -3.795 127 HA VAL 16 HA VAL 16 -8.175 -0.202 -3.725 128 HB VAL 16 HB VAL 16 -5.985 -1.349 -4.120 129 HG11 VAL 16 HG11 VAL 16 -7.768 -0.961 -5.905 130 HG12 VAL 16 HG12 VAL 16 -6.139 -1.279 -6.502 131 HG13 VAL 16 HG13 VAL 16 -6.766 0.370 -6.484 132 HG21 VAL 16 HG21 VAL 16 -5.132 1.403 -5.075 133 HG22 VAL 16 HG22 VAL 16 -4.182 -0.075 -5.208 134 HG23 VAL 16 HG23 VAL 16 -4.538 0.602 -3.621 135 H SER 17 HN SER 17 -6.553 -1.618 -2.216 136 HA SER 17 HA SER 17 -5.689 0.123 0.068 137 HB2 SER 17 HB2 SER 17 -7.293 -2.447 0.207 138 HB3 SER 17 HB1 SER 17 -6.603 -1.618 1.597 139 HG SER 17 HG SER 17 -8.327 -0.433 1.556 140 H VAL 18 HN VAL 18 -3.836 -0.599 1.137 141 HA VAL 18 HA VAL 18 -2.628 -3.175 0.238 142 HB VAL 18 HB VAL 18 -0.422 -2.012 -0.000 143 HG11 VAL 18 HG11 VAL 18 -2.054 -2.514 -1.917 144 HG12 VAL 18 HG12 VAL 18 -0.830 -1.285 -2.227 145 HG13 VAL 18 HG13 VAL 18 -2.485 -0.805 -1.853 146 HG21 VAL 18 HG21 VAL 18 -2.131 0.497 0.068 147 HG22 VAL 18 HG22 VAL 18 -0.392 0.424 -0.215 148 HG23 VAL 18 HG23 VAL 18 -1.047 -0.011 1.363 149 H ILE 19 HN ILE 19 -0.821 -3.845 1.637 150 HA ILE 19 HA ILE 19 -0.769 -2.554 4.319 151 HB ILE 19 HB ILE 19 -2.447 -4.280 4.586 152 HG12 ILE 19 HG12 ILE 19 -1.437 -5.659 6.287 153 HG13 ILE 19 HG11 ILE 19 0.167 -5.429 5.603 154 HG21 ILE 19 HG21 ILE 19 -0.456 -6.281 3.506 155 HG22 ILE 19 HG22 ILE 19 -1.724 -5.561 2.518 156 HG23 ILE 19 HG23 ILE 19 -2.151 -6.556 3.906 157 HD11 ILE 19 HD11 ILE 19 -1.447 -3.074 6.502 158 HD12 ILE 19 HD12 ILE 19 0.292 -3.206 6.353 159 HD13 ILE 19 HD13 ILE 19 -0.544 -4.011 7.674 160 H GLY 20 HN GLY 20 1.315 -2.389 4.994 161 HA2 GLY 20 HA2 GLY 20 3.263 -4.455 4.709 162 HA3 GLY 20 HA1 GLY 20 3.495 -3.289 3.407 163 H LYS 21 HN LYS 21 5.626 -3.072 4.631 164 HA LYS 21 HA LYS 21 5.361 -1.184 6.943 165 HB2 LYS 21 HB2 LYS 21 7.587 -1.848 7.588 166 HB3 LYS 21 HB1 LYS 21 6.621 -3.303 7.362 167 HG2 LYS 21 HG2 LYS 21 7.548 -3.481 5.033 168 HG3 LYS 21 HG1 LYS 21 8.625 -2.137 5.405 169 HD2 LYS 21 HD2 LYS 21 8.508 -4.684 7.042 170 HD3 LYS 21 HD1 LYS 21 9.655 -4.428 5.730 171 HE2 LYS 21 HE2 LYS 21 10.333 -2.272 6.982 172 HE3 LYS 21 HE1 LYS 21 9.453 -2.947 8.354 173 HZ1 LYS 21 HZ1 LYS 21 11.117 -4.307 8.790 174 HZ2 LYS 21 HZ2 LYS 21 12.040 -3.513 7.606 175 HZ3 LYS 21 HZ3 LYS 21 11.144 -4.898 7.201 176 H ILE 22 HN ILE 22 6.390 0.772 6.886 177 HA ILE 22 HA ILE 22 7.193 1.712 4.182 178 HB ILE 22 HB ILE 22 6.887 3.358 6.699 179 HG12 ILE 22 HG12 ILE 22 4.814 2.141 6.447 180 HG13 ILE 22 HG11 ILE 22 4.548 3.776 5.850 181 HG21 ILE 22 HG21 ILE 22 6.532 5.176 5.144 182 HG22 ILE 22 HG22 ILE 22 6.493 4.063 3.777 183 HG23 ILE 22 HG23 ILE 22 8.000 4.330 4.653 184 HD11 ILE 22 HD11 ILE 22 4.909 1.239 4.258 185 HD12 ILE 22 HD12 ILE 22 5.150 2.820 3.521 186 HD13 ILE 22 HD13 ILE 22 3.579 2.392 4.191 187 H THR 23 HN THR 23 9.265 2.226 3.665 188 HA THR 23 HA THR 23 11.258 2.624 5.838 189 HB THR 23 HB THR 23 11.508 0.285 5.391 190 HG1 THR 23 HG1 THR 23 13.505 0.867 3.719 191 HG21 THR 23 HG21 THR 23 10.241 0.295 3.235 192 HG22 THR 23 HG22 THR 23 11.737 -0.629 3.146 193 HG23 THR 23 HG23 THR 23 11.658 0.988 2.449 194 H GLY 24 HN GLY 24 13.204 3.670 5.090 195 HA2 GLY 24 HA2 GLY 24 14.404 5.204 3.774 196 HA3 GLY 24 HA1 GLY 24 13.541 4.571 2.372 197 H ILE 25 HN ILE 25 12.766 6.478 5.302 198 HA ILE 25 HA ILE 25 10.618 7.886 3.937 199 HB ILE 25 HB ILE 25 11.966 8.608 6.549 200 HG12 ILE 25 HG12 ILE 25 11.318 6.279 6.676 201 HG13 ILE 25 HG11 ILE 25 10.135 7.225 7.576 202 HG21 ILE 25 HG21 ILE 25 9.250 9.190 5.344 203 HG22 ILE 25 HG22 ILE 25 10.501 10.354 5.782 204 HG23 ILE 25 HG23 ILE 25 9.639 9.472 7.041 205 HD11 ILE 25 HD11 ILE 25 9.836 5.897 4.890 206 HD12 ILE 25 HD12 ILE 25 8.806 7.262 5.319 207 HD13 ILE 25 HD13 ILE 25 8.780 5.799 6.297 208 H HIS 26 HN HIS 26 10.743 9.721 2.796 209 HA HIS 26 HA HIS 26 13.176 11.452 3.062 210 HB2 HIS 26 HB2 HIS 26 11.771 10.608 0.506 211 HB3 HIS 26 HB1 HIS 26 13.051 11.820 0.605 212 HD1 HIS 26 HD1 HIS 26 15.407 10.926 1.578 213 HD2 HIS 26 HD2 HIS 26 12.699 7.983 0.404 214 HE1 HIS 26 HE1 HIS 26 16.734 8.781 1.352 215 H LYS 27 HN LYS 27 12.566 13.461 3.631 216 HA LYS 27 HA LYS 27 9.737 14.243 3.419 217 HB2 LYS 27 HB2 LYS 27 11.054 14.738 5.464 218 HB3 LYS 27 HB1 LYS 27 12.112 15.780 4.511 219 HG2 LYS 27 HG2 LYS 27 10.239 17.238 3.945 220 HG3 LYS 27 HG1 LYS 27 9.113 16.163 4.773 221 HD2 LYS 27 HD2 LYS 27 10.308 16.578 6.905 222 HD3 LYS 27 HD1 LYS 27 11.399 17.682 6.067 223 HE2 LYS 27 HE2 LYS 27 8.387 18.018 6.158 224 HE3 LYS 27 HE1 LYS 27 9.507 18.849 7.237 225 HZ1 LYS 27 HZ1 LYS 27 9.572 20.393 5.650 226 HZ2 LYS 27 HZ2 LYS 27 8.889 19.370 4.479 227 HZ3 LYS 27 HZ3 LYS 27 10.559 19.314 4.790 228 H LYS 28 HN LYS 28 8.928 15.726 1.997 229 HA LYS 28 HA LYS 28 10.782 17.407 0.427 230 HB2 LYS 28 HB2 LYS 28 10.587 15.402 -0.950 231 HB3 LYS 28 HB1 LYS 28 8.832 15.441 -0.815 232 HG2 LYS 28 HG2 LYS 28 9.568 16.362 -2.975 233 HG3 LYS 28 HG1 LYS 28 8.786 17.608 -2.016 234 HD2 LYS 28 HD2 LYS 28 10.837 18.659 -1.477 235 HD3 LYS 28 HD1 LYS 28 11.782 17.232 -1.914 236 HE2 LYS 28 HE2 LYS 28 10.232 19.003 -3.828 237 HE3 LYS 28 HE1 LYS 28 11.987 18.962 -3.643 238 HZ1 LYS 28 HZ1 LYS 28 11.757 16.494 -4.140 239 HZ2 LYS 28 HZ2 LYS 28 11.561 17.571 -5.438 240 HZ3 LYS 28 HZ3 LYS 28 10.202 16.864 -4.704 241 H GLU 29 HN GLU 29 9.846 19.353 -0.126 242 HA GLU 29 HA GLU 29 6.978 19.744 0.673 243 HB2 GLU 29 HB2 GLU 29 9.352 21.616 0.777 244 HB3 GLU 29 HB1 GLU 29 7.683 22.140 1.020 245 HG2 GLU 29 HG2 GLU 29 7.437 20.577 2.889 246 HG3 GLU 29 HG1 GLU 29 9.078 19.985 2.629 247 H TYR 30 HN TYR 30 5.657 20.996 -0.689 248 HA TYR 30 HA TYR 30 6.811 22.021 -3.215 249 HB2 TYR 30 HB2 TYR 30 5.254 20.793 -4.623 250 HB3 TYR 30 HB1 TYR 30 6.193 19.647 -3.672 251 HD1 TYR 30 HD1 TYR 30 5.125 18.977 -1.333 252 HD2 TYR 30 HD2 TYR 30 2.924 20.569 -4.663 253 HE1 TYR 30 HE1 TYR 30 3.037 18.002 -0.421 254 HE2 TYR 30 HE2 TYR 30 0.837 19.593 -3.748 255 HH TYR 30 HH TYR 30 0.118 17.867 -2.256 256 H GLU 31 HN GLU 31 5.267 23.403 -4.365 257 HA GLU 31 HA GLU 31 3.623 24.912 -2.462 258 HB2 GLU 31 HB2 GLU 31 5.068 26.035 -4.143 259 HB3 GLU 31 HB1 GLU 31 4.075 25.343 -5.427 260 HG2 GLU 31 HG2 GLU 31 2.103 26.515 -4.587 261 HG3 GLU 31 HG1 GLU 31 3.030 27.150 -3.227 262 H SER 32 HN SER 32 1.531 24.436 -2.115 263 HA SER 32 HA SER 32 -0.074 23.206 -4.337 264 HB2 SER 32 HB2 SER 32 -0.676 22.879 -1.396 265 HB3 SER 32 HB1 SER 32 -1.237 21.902 -2.753 266 HG SER 32 HG SER 32 1.045 21.717 -1.290 267 H ASP 33 HN ASP 33 -1.409 24.734 -5.120 268 HA ASP 33 HA ASP 33 -2.880 26.545 -5.227 269 HB2 ASP 33 HB2 ASP 33 -3.517 25.440 -2.480 270 HB3 ASP 33 HB1 ASP 33 -4.429 26.755 -3.221 271 H GLY 34 HN GLY 34 -0.138 27.029 -4.296 272 HA2 GLY 34 HA2 GLY 34 0.969 29.053 -3.750 273 HA3 GLY 34 HA1 GLY 34 -0.579 29.731 -3.249 274 H THR 35 HN THR 35 -0.194 26.706 -1.843 275 HA THR 35 HA THR 35 0.931 27.911 0.668 276 HB THR 35 HB THR 35 -1.202 25.774 0.402 277 HG1 THR 35 HG1 THR 35 -1.830 28.040 1.734 278 HG21 THR 35 HG21 THR 35 -1.371 26.186 2.895 279 HG22 THR 35 HG22 THR 35 0.128 27.104 2.771 280 HG23 THR 35 HG23 THR 35 0.112 25.384 2.377 281 H THR 36 HN THR 36 2.693 26.924 1.432 282 HA THR 36 HA THR 36 3.912 24.708 0.067 283 HB THR 36 HB THR 36 4.547 25.787 2.824 284 HG1 THR 36 HG1 THR 36 4.490 27.160 0.726 285 HG21 THR 36 HG21 THR 36 5.643 23.664 2.322 286 HG22 THR 36 HG22 THR 36 6.824 24.970 2.265 287 HG23 THR 36 HG23 THR 36 6.191 24.290 0.767 288 H LYS 37 HN LYS 37 3.797 22.539 0.487 289 HA LYS 37 HA LYS 37 2.429 21.632 2.994 290 HB2 LYS 37 HB2 LYS 37 1.985 20.593 0.180 291 HB3 LYS 37 HB1 LYS 37 1.298 19.886 1.642 292 HG2 LYS 37 HG2 LYS 37 0.832 22.750 0.761 293 HG3 LYS 37 HG1 LYS 37 -0.278 21.424 0.423 294 HD2 LYS 37 HD2 LYS 37 -0.247 21.018 2.990 295 HD3 LYS 37 HD1 LYS 37 0.443 22.637 3.095 296 HE2 LYS 37 HE2 LYS 37 -1.469 23.588 1.936 297 HE3 LYS 37 HE1 LYS 37 -2.160 21.981 1.703 298 HZ1 LYS 37 HZ1 LYS 37 -2.830 21.862 3.829 299 HZ2 LYS 37 HZ2 LYS 37 -2.746 23.558 3.767 300 HZ3 LYS 37 HZ3 LYS 37 -1.463 22.665 4.431 301 H SER 38 HN SER 38 3.185 19.695 3.839 302 HA SER 38 HA SER 38 5.848 18.853 2.800 303 HB2 SER 38 HB2 SER 38 5.834 19.471 5.133 304 HB3 SER 38 HB1 SER 38 4.438 18.447 5.450 305 HG SER 38 HG SER 38 5.743 16.651 4.887 306 H VAL 39 HN VAL 39 6.169 16.839 1.983 307 HA VAL 39 HA VAL 39 4.055 14.763 2.358 308 HB VAL 39 HB VAL 39 3.573 15.648 0.178 309 HG11 VAL 39 HG11 VAL 39 5.392 15.778 -1.562 310 HG12 VAL 39 HG12 VAL 39 6.559 15.489 -0.273 311 HG13 VAL 39 HG13 VAL 39 5.560 16.940 -0.247 312 HG21 VAL 39 HG21 VAL 39 5.390 13.290 -0.361 313 HG22 VAL 39 HG22 VAL 39 3.894 13.718 -1.192 314 HG23 VAL 39 HG23 VAL 39 3.842 13.113 0.462 315 H TYR 40 HN TYR 40 4.890 12.745 2.698 316 HA TYR 40 HA TYR 40 7.873 12.512 2.759 317 HB2 TYR 40 HB2 TYR 40 5.690 10.972 4.189 318 HB3 TYR 40 HB1 TYR 40 7.412 10.598 4.300 319 HD1 TYR 40 HD2 TYR 40 8.965 12.105 5.429 320 HD2 TYR 40 HD1 TYR 40 4.773 13.010 5.179 321 HE1 TYR 40 HE2 TYR 40 9.242 13.860 7.157 322 HE2 TYR 40 HE1 TYR 40 5.051 14.768 6.908 323 HH TYR 40 HH TYR 40 8.250 15.443 8.342 324 H GLN 41 HN GLN 41 8.870 11.041 1.467 325 HA GLN 41 HA GLN 41 7.163 9.097 -0.061 326 HB2 GLN 41 HB2 GLN 41 9.557 10.713 -0.979 327 HB3 GLN 41 HB1 GLN 41 8.858 9.378 -1.899 328 HG2 GLN 41 HG2 GLN 41 6.691 10.538 -1.958 329 HG3 GLN 41 HG1 GLN 41 7.369 11.867 -1.019 330 HE21 GLN 41 HE21 GLN 41 6.515 12.916 -3.240 331 HE22 GLN 41 HE22 GLN 41 7.700 13.078 -4.446 332 H GLY 42 HN GLY 42 8.119 7.065 -0.478 333 HA2 GLY 42 HA2 GLY 42 10.806 6.404 0.314 334 HA3 GLY 42 HA1 GLY 42 9.677 5.954 1.592 335 H TYR 43 HN TYR 43 9.937 3.710 1.304 336 HA TYR 43 HA TYR 43 8.678 2.612 -1.186 337 HB2 TYR 43 HB2 TYR 43 11.147 1.577 0.242 338 HB3 TYR 43 HB1 TYR 43 10.319 0.745 -1.076 339 HD1 TYR 43 HD2 TYR 43 12.153 3.851 -0.166 340 HD2 TYR 43 HD1 TYR 43 10.635 1.397 -3.348 341 HE1 TYR 43 HE2 TYR 43 13.408 5.212 -1.815 342 HE2 TYR 43 HE1 TYR 43 11.889 2.758 -4.996 343 HH TYR 43 HH TYR 43 14.366 4.718 -4.257 344 H ILE 44 HN ILE 44 7.284 0.910 -0.823 345 HA ILE 44 HA ILE 44 6.913 0.040 2.027 346 HB ILE 44 HB ILE 44 5.008 1.366 1.094 347 HG12 ILE 44 HG12 ILE 44 4.261 -1.550 1.401 348 HG13 ILE 44 HG11 ILE 44 4.777 -0.557 2.764 349 HG21 ILE 44 HG21 ILE 44 3.680 0.478 -0.725 350 HG22 ILE 44 HG22 ILE 44 4.669 -0.970 -0.812 351 HG23 ILE 44 HG23 ILE 44 5.346 0.589 -1.285 352 HD11 ILE 44 HD11 ILE 44 2.480 0.146 0.917 353 HD12 ILE 44 HD12 ILE 44 2.951 1.001 2.386 354 HD13 ILE 44 HD13 ILE 44 2.288 -0.630 2.489 355 H GLU 45 HN GLU 45 7.055 -2.150 2.392 356 HA GLU 45 HA GLU 45 7.043 -3.955 -0.019 357 HB2 GLU 45 HB2 GLU 45 9.383 -3.474 0.659 358 HB3 GLU 45 HB1 GLU 45 9.021 -4.083 2.273 359 HG2 GLU 45 HG2 GLU 45 8.483 -6.291 1.363 360 HG3 GLU 45 HG1 GLU 45 8.729 -5.700 -0.280 361 H ASP 46 HN ASP 46 6.362 -6.069 0.340 362 HA ASP 46 HA ASP 46 5.687 -7.064 2.974 363 HB2 ASP 46 HB2 ASP 46 3.860 -5.464 2.683 364 HB3 ASP 46 HB1 ASP 46 3.425 -6.226 1.162 365 H ASP 47 HN ASP 47 6.728 -8.872 2.308 366 HA ASP 47 HA ASP 47 7.133 -10.907 1.201 367 HB2 ASP 47 HB2 ASP 47 4.970 -11.344 2.359 368 HB3 ASP 47 HB1 ASP 47 4.120 -10.824 0.904 369 H THR 48 HN THR 48 4.271 -9.999 -0.694 370 HA THR 48 HA THR 48 4.937 -10.846 -3.182 371 HB THR 48 HB THR 48 3.869 -8.049 -2.760 372 HG1 THR 48 HG1 THR 48 2.360 -8.976 -1.670 373 HG21 THR 48 HG21 THR 48 4.382 -9.010 -5.088 374 HG22 THR 48 HG22 THR 48 2.780 -8.342 -4.815 375 HG23 THR 48 HG23 THR 48 3.018 -10.088 -4.800 376 H ALA 49 HN ALA 49 5.507 -7.364 -2.645 377 HA ALA 49 HA ALA 49 8.315 -7.587 -3.414 378 HB1 ALA 49 HB1 ALA 49 6.435 -6.146 -5.305 379 HB2 ALA 49 HB2 ALA 49 7.028 -7.782 -5.595 380 HB3 ALA 49 HB3 ALA 49 8.161 -6.435 -5.520 381 H ARG 50 HN ARG 50 8.403 -4.870 -4.465 382 HA ARG 50 HA ARG 50 7.375 -3.271 -2.189 383 HB2 ARG 50 HB2 ARG 50 9.551 -2.172 -1.903 384 HB3 ARG 50 HB1 ARG 50 9.689 -3.906 -1.621 385 HG2 ARG 50 HG2 ARG 50 10.523 -4.219 -3.923 386 HG3 ARG 50 HG1 ARG 50 10.391 -2.485 -4.213 387 HD2 ARG 50 HD2 ARG 50 11.991 -2.054 -2.380 388 HD3 ARG 50 HD1 ARG 50 12.131 -3.788 -2.103 389 HE ARG 50 HE ARG 50 13.431 -3.979 -4.090 390 HH11 ARG 50 HH21 ARG 50 12.041 -0.841 -3.683 391 HH12 ARG 50 HH22 ARG 50 13.011 -0.112 -4.918 392 HH21 ARG 50 HH11 ARG 50 14.697 -3.036 -5.699 393 HH22 ARG 50 HH12 ARG 50 14.510 -1.353 -6.059 394 H ILE 51 HN ILE 51 7.136 -1.022 -2.632 395 HA ILE 51 HA ILE 51 7.747 -0.086 -5.362 396 HB ILE 51 HB ILE 51 5.521 -1.198 -5.542 397 HG12 ILE 51 HG12 ILE 51 5.218 1.805 -5.748 398 HG13 ILE 51 HG11 ILE 51 6.244 0.892 -6.854 399 HG21 ILE 51 HG21 ILE 51 4.792 -0.723 -3.199 400 HG22 ILE 51 HG22 ILE 51 3.596 -0.221 -4.394 401 HG23 ILE 51 HG23 ILE 51 4.622 0.980 -3.625 402 HD11 ILE 51 HD11 ILE 51 3.288 0.410 -6.385 403 HD12 ILE 51 HD12 ILE 51 4.314 -0.513 -7.483 404 HD13 ILE 51 HD13 ILE 51 3.990 1.191 -7.803 405 H ARG 52 HN ARG 52 7.259 2.257 -5.597 406 HA ARG 52 HA ARG 52 8.050 3.696 -3.185 407 HB2 ARG 52 HB2 ARG 52 7.468 4.519 -6.032 408 HB3 ARG 52 HB1 ARG 52 7.852 5.697 -4.774 409 HG2 ARG 52 HG2 ARG 52 9.980 4.629 -4.355 410 HG3 ARG 52 HG1 ARG 52 9.589 3.318 -5.467 411 HD2 ARG 52 HD2 ARG 52 11.064 4.942 -6.567 412 HD3 ARG 52 HD1 ARG 52 9.474 4.948 -7.326 413 HE ARG 52 HE ARG 52 9.093 7.130 -6.458 414 HH11 ARG 52 HH21 ARG 52 11.955 5.662 -5.193 415 HH12 ARG 52 HH22 ARG 52 12.552 7.131 -4.496 416 HH21 ARG 52 HH11 ARG 52 9.865 9.044 -5.559 417 HH22 ARG 52 HH12 ARG 52 11.371 9.043 -4.703 418 H ILE 53 HN ILE 53 6.854 5.321 -2.131 419 HA ILE 53 HA ILE 53 3.981 5.615 -2.858 420 HB ILE 53 HB ILE 53 3.194 5.109 -0.662 421 HG12 ILE 53 HG12 ILE 53 4.952 6.073 0.719 422 HG13 ILE 53 HG11 ILE 53 4.772 4.382 1.153 423 HG21 ILE 53 HG21 ILE 53 3.821 2.769 -0.427 424 HG22 ILE 53 HG22 ILE 53 5.273 3.033 -1.391 425 HG23 ILE 53 HG23 ILE 53 3.681 3.174 -2.136 426 HD11 ILE 53 HD11 ILE 53 7.099 4.653 0.983 427 HD12 ILE 53 HD12 ILE 53 6.967 5.679 -0.433 428 HD13 ILE 53 HD13 ILE 53 6.670 3.951 -0.572 429 H SER 54 HN SER 54 2.969 7.438 -1.633 430 HA SER 54 HA SER 54 4.921 9.423 -0.573 431 HB2 SER 54 HB2 SER 54 3.883 11.195 -1.959 432 HB3 SER 54 HB1 SER 54 4.655 9.965 -2.955 433 HG SER 54 HG SER 54 1.904 10.297 -2.364 434 H SER 55 HN SER 55 4.140 10.273 1.285 435 HA SER 55 HA SER 55 1.203 10.012 1.849 436 HB2 SER 55 HB2 SER 55 2.990 8.846 3.321 437 HB3 SER 55 HB1 SER 55 3.354 10.462 3.921 438 HG SER 55 HG SER 55 1.614 10.338 5.079 439 H PHE 56 HN PHE 56 0.138 11.896 1.673 440 HA PHE 56 HA PHE 56 1.624 14.457 1.890 441 HB2 PHE 56 HB2 PHE 56 -1.118 13.693 0.871 442 HB3 PHE 56 HB1 PHE 56 -0.619 15.374 1.068 443 HD1 PHE 56 HD1 PHE 56 1.251 16.298 -0.256 444 HD2 PHE 56 HD2 PHE 56 -0.177 12.295 -0.869 445 HE1 PHE 56 HE1 PHE 56 2.462 16.198 -2.418 446 HE2 PHE 56 HE2 PHE 56 1.035 12.194 -3.032 447 HZ PHE 56 HZ PHE 56 2.354 14.146 -3.805 448 H GLY 57 HN GLY 57 1.575 15.611 3.722 449 HA2 GLY 57 HA2 GLY 57 0.773 16.593 5.695 450 HA3 GLY 57 HA1 GLY 57 -0.828 15.986 5.277 451 H LYS 58 HN LYS 58 0.030 13.173 5.137 452 HA LYS 58 HA LYS 58 -0.051 12.649 8.038 453 HB2 LYS 58 HB2 LYS 58 -0.173 10.761 5.669 454 HB3 LYS 58 HB1 LYS 58 -0.482 10.320 7.346 455 HG2 LYS 58 HG2 LYS 58 -2.042 12.540 6.016 456 HG3 LYS 58 HG1 LYS 58 -2.526 10.862 5.826 457 HD2 LYS 58 HD2 LYS 58 -2.617 10.638 8.308 458 HD3 LYS 58 HD1 LYS 58 -2.237 12.350 8.455 459 HE2 LYS 58 HE2 LYS 58 -4.632 12.117 8.612 460 HE3 LYS 58 HE1 LYS 58 -4.258 12.857 7.055 461 HZ1 LYS 58 HZ1 LYS 58 -4.381 10.634 6.053 462 HZ2 LYS 58 HZ2 LYS 58 -5.854 11.109 6.755 463 HZ3 LYS 58 HZ3 LYS 58 -4.851 9.991 7.551 464 H GLN 59 HN GLN 59 1.644 12.021 9.223 465 HA GLN 59 HA GLN 59 4.266 11.713 7.899 466 HB2 GLN 59 HB2 GLN 59 4.033 13.173 9.884 467 HB3 GLN 59 HB1 GLN 59 3.535 11.777 10.841 468 HG2 GLN 59 HG2 GLN 59 5.678 10.692 10.470 469 HG3 GLN 59 HG1 GLN 59 6.175 11.974 9.365 470 HE21 GLN 59 HE21 GLN 59 7.691 11.362 11.715 471 HE22 GLN 59 HE22 GLN 59 7.579 12.676 12.783 472 H LEU 60 HN LEU 60 5.552 9.864 8.070 473 HA LEU 60 HA LEU 60 4.315 7.424 9.288 474 HB2 LEU 60 HB2 LEU 60 5.625 7.660 6.562 475 HB3 LEU 60 HB1 LEU 60 5.148 6.140 7.319 476 HG LEU 60 HG LEU 60 3.248 8.431 6.739 477 HD11 LEU 60 HD11 LEU 60 3.580 5.814 5.246 478 HD12 LEU 60 HD12 LEU 60 4.192 7.367 4.684 479 HD13 LEU 60 HD13 LEU 60 2.456 7.115 4.855 480 HD21 LEU 60 HD21 LEU 60 2.946 5.675 7.930 481 HD22 LEU 60 HD22 LEU 60 1.613 6.363 7.008 482 HD23 LEU 60 HD23 LEU 60 2.209 7.194 8.436 483 H GLN 61 HN GLN 61 5.836 5.880 10.037 484 HA GLN 61 HA GLN 61 8.610 6.973 10.376 485 HB2 GLN 61 HB2 GLN 61 6.916 5.200 12.144 486 HB3 GLN 61 HB1 GLN 61 8.641 5.461 12.406 487 HG2 GLN 61 HG2 GLN 61 8.264 7.878 12.591 488 HG3 GLN 61 HG1 GLN 61 6.546 7.650 12.264 489 HE21 GLN 61 HE21 GLN 61 6.707 8.831 14.588 490 HE22 GLN 61 HE22 GLN 61 6.652 7.773 15.915 491 H ASP 62 HN ASP 62 10.350 5.589 10.115 492 HA ASP 62 HA ASP 62 10.129 3.602 8.081 493 HB2 ASP 62 HB2 ASP 62 12.151 4.948 8.503 494 HB3 ASP 62 HB1 ASP 62 12.384 4.109 10.035 495 H SER 63 HN SER 63 9.954 1.426 8.158 496 HA SER 63 HA SER 63 9.823 -0.748 9.004 497 HB2 SER 63 HB2 SER 63 11.047 -1.316 10.887 498 HB3 SER 63 HB1 SER 63 11.779 0.243 10.518 499 HG SER 63 HG SER 63 9.512 -0.004 12.191 500 H ASP 64 HN ASP 64 7.905 1.749 9.671 501 HA ASP 64 HA ASP 64 6.280 0.555 11.808 502 HB2 ASP 64 HB2 ASP 64 6.498 2.997 11.597 503 HB3 ASP 64 HB1 ASP 64 5.745 2.934 10.004 504 H VAL 65 HN VAL 65 4.781 -0.976 11.431 505 HA VAL 65 HA VAL 65 3.964 -1.609 8.675 506 HB VAL 65 HB VAL 65 2.992 -2.898 11.229 507 HG11 VAL 65 HG11 VAL 65 1.807 -3.379 9.067 508 HG12 VAL 65 HG12 VAL 65 2.575 -4.800 9.773 509 HG13 VAL 65 HG13 VAL 65 3.333 -3.973 8.412 510 HG21 VAL 65 HG21 VAL 65 5.470 -3.486 9.578 511 HG22 VAL 65 HG22 VAL 65 4.844 -4.535 10.850 512 HG23 VAL 65 HG23 VAL 65 5.437 -2.923 11.249 513 H VAL 66 HN VAL 66 2.261 -0.600 7.776 514 HA VAL 66 HA VAL 66 -0.082 0.089 9.500 515 HB VAL 66 HB VAL 66 -0.266 2.269 8.381 516 HG11 VAL 66 HG11 VAL 66 1.195 1.870 10.472 517 HG12 VAL 66 HG12 VAL 66 1.454 3.370 9.583 518 HG13 VAL 66 HG13 VAL 66 2.574 2.022 9.383 519 HG21 VAL 66 HG21 VAL 66 0.716 1.875 6.240 520 HG22 VAL 66 HG22 VAL 66 2.228 1.314 6.956 521 HG23 VAL 66 HG23 VAL 66 1.790 3.020 7.041 522 H ARG 67 HN ARG 67 -2.050 0.405 8.245 523 HA ARG 67 HA ARG 67 -2.019 -1.072 5.628 524 HB2 ARG 67 HB2 ARG 67 -3.224 -2.201 7.584 525 HB3 ARG 67 HB1 ARG 67 -4.341 -0.845 7.568 526 HG2 ARG 67 HG2 ARG 67 -5.116 -1.349 5.383 527 HG3 ARG 67 HG1 ARG 67 -3.782 -2.456 5.077 528 HD2 ARG 67 HD2 ARG 67 -5.930 -2.893 7.169 529 HD3 ARG 67 HD1 ARG 67 -5.903 -3.654 5.579 530 HE ARG 67 HE ARG 67 -3.418 -4.239 6.726 531 HH11 ARG 67 HH21 ARG 67 -6.766 -4.723 7.413 532 HH12 ARG 67 HH22 ARG 67 -6.504 -6.192 8.295 533 HH21 ARG 67 HH11 ARG 67 -3.065 -6.148 7.874 534 HH22 ARG 67 HH12 ARG 67 -4.410 -6.998 8.557 535 H ILE 68 HN ILE 68 -2.545 0.210 3.945 536 HA ILE 68 HA ILE 68 -3.950 2.799 4.497 537 HB ILE 68 HB ILE 68 -2.283 1.965 2.101 538 HG12 ILE 68 HG12 ILE 68 -1.594 3.895 4.336 539 HG13 ILE 68 HG11 ILE 68 -1.065 2.214 4.323 540 HG21 ILE 68 HG21 ILE 68 -4.002 3.690 1.618 541 HG22 ILE 68 HG22 ILE 68 -2.382 4.375 1.562 542 HG23 ILE 68 HG23 ILE 68 -3.407 4.652 2.969 543 HD11 ILE 68 HD11 ILE 68 0.546 3.999 3.352 544 HD12 ILE 68 HD12 ILE 68 -0.537 4.016 1.961 545 HD13 ILE 68 HD13 ILE 68 0.288 2.526 2.418 546 H ASP 69 HN ASP 69 -5.949 3.078 3.709 547 HA ASP 69 HA ASP 69 -6.992 1.108 1.698 548 HB2 ASP 69 HB2 ASP 69 -8.359 2.514 3.997 549 HB3 ASP 69 HB1 ASP 69 -9.234 1.664 2.723 550 H ASN 70 HN ASN 70 -8.163 1.899 -0.017 551 HA ASN 70 HA ASN 70 -8.909 3.431 -1.611 552 HB2 ASN 70 HB2 ASN 70 -10.150 4.287 0.499 553 HB3 ASN 70 HB1 ASN 70 -8.923 5.553 0.538 554 HD21 ASN 70 HD21 ASN 70 -10.087 7.364 -0.217 555 HD22 ASN 70 HD22 ASN 70 -10.895 7.414 -1.709 556 H ALA 71 HN ALA 71 -6.089 3.035 -1.159 557 HA ALA 71 HA ALA 71 -4.676 5.549 -1.198 558 HB1 ALA 71 HB1 ALA 71 -3.594 3.371 -0.649 559 HB2 ALA 71 HB2 ALA 71 -2.761 4.217 -1.951 560 HB3 ALA 71 HB3 ALA 71 -3.824 2.858 -2.319 561 H ARG 72 HN ARG 72 -3.912 6.716 -3.000 562 HA ARG 72 HA ARG 72 -5.399 6.206 -5.533 563 HB2 ARG 72 HB2 ARG 72 -5.584 8.444 -4.469 564 HB3 ARG 72 HB1 ARG 72 -3.840 8.649 -4.640 565 HG2 ARG 72 HG2 ARG 72 -4.012 8.489 -7.064 566 HG3 ARG 72 HG1 ARG 72 -5.735 8.135 -6.949 567 HD2 ARG 72 HD2 ARG 72 -5.432 10.494 -7.504 568 HD3 ARG 72 HD1 ARG 72 -6.089 10.352 -5.877 569 HE ARG 72 HE ARG 72 -4.028 11.149 -4.998 570 HH11 ARG 72 HH21 ARG 72 -3.873 10.486 -8.389 571 HH12 ARG 72 HH22 ARG 72 -2.348 11.278 -8.601 572 HH21 ARG 72 HH11 ARG 72 -2.046 12.181 -5.269 573 HH22 ARG 72 HH12 ARG 72 -1.314 12.235 -6.838 574 H VAL 73 HN VAL 73 -4.340 5.355 -7.223 575 HA VAL 73 HA VAL 73 -1.427 4.993 -7.113 576 HB VAL 73 HB VAL 73 -3.460 4.177 -9.208 577 HG11 VAL 73 HG11 VAL 73 -1.639 2.600 -9.903 578 HG12 VAL 73 HG12 VAL 73 -0.553 3.420 -8.781 579 HG13 VAL 73 HG13 VAL 73 -1.219 4.292 -10.161 580 HG21 VAL 73 HG21 VAL 73 -3.470 2.037 -8.146 581 HG22 VAL 73 HG22 VAL 73 -3.662 3.211 -6.844 582 HG23 VAL 73 HG23 VAL 73 -2.093 2.457 -7.128 583 H ALA 74 HN ALA 74 0.037 6.195 -8.246 584 HA ALA 74 HA ALA 74 -0.892 7.886 -10.508 585 HB1 ALA 74 HB1 ALA 74 0.368 8.893 -7.949 586 HB2 ALA 74 HB2 ALA 74 -1.094 9.473 -8.749 587 HB3 ALA 74 HB3 ALA 74 0.488 9.799 -9.458 588 H GLN 75 HN GLN 75 1.008 8.827 -11.677 589 HA GLN 75 HA GLN 75 3.308 6.916 -11.606 590 HB2 GLN 75 HB2 GLN 75 2.116 8.686 -13.747 591 HB3 GLN 75 HB1 GLN 75 3.737 8.007 -13.917 592 HG2 GLN 75 HG2 GLN 75 2.862 5.753 -13.659 593 HG3 GLN 75 HG1 GLN 75 1.236 6.381 -13.377 594 HE21 GLN 75 HE21 GLN 75 1.057 4.773 -15.415 595 HE22 GLN 75 HE22 GLN 75 1.163 5.537 -16.929 596 H PHE 76 HN PHE 76 5.004 7.663 -10.504 597 HA PHE 76 HA PHE 76 5.620 10.597 -10.554 598 HB2 PHE 76 HB2 PHE 76 6.091 8.424 -8.508 599 HB3 PHE 76 HB1 PHE 76 7.078 9.887 -8.506 600 HD1 PHE 76 HD1 PHE 76 5.939 12.139 -8.375 601 HD2 PHE 76 HD2 PHE 76 3.858 8.454 -7.653 602 HE1 PHE 76 HE1 PHE 76 4.130 13.386 -7.230 603 HE2 PHE 76 HE2 PHE 76 2.048 9.700 -6.505 604 HZ PHE 76 HZ PHE 76 2.185 12.168 -6.294 605 H ASN 77 HN ASN 77 7.289 11.129 -11.786 606 HA ASN 77 HA ASN 77 9.230 10.981 -13.071 607 HB2 ASN 77 HB2 ASN 77 9.932 9.093 -10.803 608 HB3 ASN 77 HB1 ASN 77 11.078 9.597 -12.041 609 HD21 ASN 77 HD21 ASN 77 9.252 12.275 -11.873 610 HD22 ASN 77 HD22 ASN 77 10.025 13.116 -10.620 611 H GLY 78 HN GLY 78 6.959 9.205 -13.677 612 HA2 GLY 78 HA2 GLY 78 6.603 7.643 -15.408 613 HA3 GLY 78 HA1 GLY 78 8.351 7.462 -15.556 614 H TYR 79 HN TYR 79 7.248 7.139 -12.348 615 HA TYR 79 HA TYR 79 7.300 4.144 -12.570 616 HB2 TYR 79 HB2 TYR 79 8.456 5.954 -10.436 617 HB3 TYR 79 HB1 TYR 79 8.283 4.207 -10.255 618 HD1 TYR 79 HD1 TYR 79 9.455 2.665 -11.853 619 HD2 TYR 79 HD2 TYR 79 10.205 6.894 -11.773 620 HE1 TYR 79 HE1 TYR 79 11.559 2.315 -13.117 621 HE2 TYR 79 HE2 TYR 79 12.311 6.543 -13.036 622 HH TYR 79 HH TYR 79 13.976 4.339 -13.254 623 H LEU 80 HN LEU 80 5.706 3.050 -11.534 624 HA LEU 80 HA LEU 80 3.357 4.494 -10.691 625 HB2 LEU 80 HB2 LEU 80 4.168 1.587 -10.616 626 HB3 LEU 80 HB1 LEU 80 2.611 2.133 -10.002 627 HG LEU 80 HG LEU 80 3.587 2.795 -12.795 628 HD11 LEU 80 HD11 LEU 80 2.289 0.908 -13.619 629 HD12 LEU 80 HD12 LEU 80 1.775 0.500 -11.982 630 HD13 LEU 80 HD13 LEU 80 3.468 0.319 -12.446 631 HD21 LEU 80 HD21 LEU 80 1.771 4.217 -12.293 632 HD22 LEU 80 HD22 LEU 80 0.953 3.001 -11.320 633 HD23 LEU 80 HD23 LEU 80 0.973 2.861 -13.073 634 H SER 81 HN SER 81 2.607 4.920 -8.645 635 HA SER 81 HA SER 81 3.909 3.749 -6.292 636 HB2 SER 81 HB2 SER 81 5.361 5.470 -5.931 637 HB3 SER 81 HB1 SER 81 4.742 6.319 -7.340 638 HG SER 81 HG SER 81 3.649 7.566 -6.048 639 H LEU 82 HN LEU 82 2.781 4.475 -4.282 640 HA LEU 82 HA LEU 82 -0.100 5.037 -4.866 641 HB2 LEU 82 HB2 LEU 82 1.191 3.910 -2.363 642 HB3 LEU 82 HB1 LEU 82 -0.538 4.007 -2.701 643 HG LEU 82 HG LEU 82 1.485 2.413 -4.302 644 HD11 LEU 82 HD11 LEU 82 1.074 1.377 -2.146 645 HD12 LEU 82 HD12 LEU 82 0.209 0.462 -3.382 646 HD13 LEU 82 HD13 LEU 82 -0.668 1.580 -2.338 647 HD21 LEU 82 HD21 LEU 82 -1.462 2.973 -4.640 648 HD22 LEU 82 HD22 LEU 82 -0.787 1.446 -5.211 649 HD23 LEU 82 HD23 LEU 82 -0.186 2.968 -5.858 650 H SER 83 HN SER 83 -0.926 6.943 -4.292 651 HA SER 83 HA SER 83 0.658 8.731 -2.488 652 HB2 SER 83 HB2 SER 83 0.311 9.723 -4.657 653 HB3 SER 83 HB1 SER 83 -1.397 9.293 -4.644 654 HG SER 83 HG SER 83 -0.816 10.677 -2.434 655 H VAL 84 HN VAL 84 -0.181 9.123 -0.503 656 HA VAL 84 HA VAL 84 -2.998 8.270 0.027 657 HB VAL 84 HB VAL 84 -0.842 8.924 2.046 658 HG11 VAL 84 HG11 VAL 84 -3.473 7.428 2.134 659 HG12 VAL 84 HG12 VAL 84 -3.034 8.888 3.024 660 HG13 VAL 84 HG13 VAL 84 -2.273 7.346 3.421 661 HG21 VAL 84 HG21 VAL 84 0.113 7.151 0.794 662 HG22 VAL 84 HG22 VAL 84 -1.447 6.364 0.556 663 HG23 VAL 84 HG23 VAL 84 -0.683 6.345 2.145 664 H GLY 85 HN GLY 85 -4.320 9.982 -0.313 665 HA2 GLY 85 HA2 GLY 85 -3.484 12.711 0.462 666 HA3 GLY 85 HA1 GLY 85 -4.952 12.280 -0.411 667 H ASP 86 HN ASP 86 -5.495 13.984 1.477 668 HA ASP 86 HA ASP 86 -5.844 12.993 4.148 669 HB2 ASP 86 HB2 ASP 86 -5.920 15.419 3.340 670 HB3 ASP 86 HB1 ASP 86 -7.561 15.080 2.789 671 H SER 87 HN SER 87 -7.910 12.968 1.272 672 HA SER 87 HA SER 87 -10.314 12.062 2.490 673 HB2 SER 87 HB2 SER 87 -9.248 11.467 -0.285 674 HB3 SER 87 HB1 SER 87 -10.921 11.282 0.230 675 HG SER 87 HG SER 87 -10.785 13.277 -0.684 676 H SER 88 HN SER 88 -7.468 10.289 1.346 677 HA SER 88 HA SER 88 -8.578 7.669 1.512 678 HB2 SER 88 HB2 SER 88 -6.269 6.891 1.536 679 HB3 SER 88 HB1 SER 88 -6.427 8.221 0.392 680 HG SER 88 HG SER 88 -5.341 8.229 3.006 681 H ARG 89 HN ARG 89 -7.993 6.005 3.154 682 HA ARG 89 HA ARG 89 -8.068 7.176 5.923 683 HB2 ARG 89 HB2 ARG 89 -9.130 4.559 4.825 684 HB3 ARG 89 HB1 ARG 89 -9.126 4.990 6.536 685 HG2 ARG 89 HG2 ARG 89 -10.504 6.970 6.054 686 HG3 ARG 89 HG1 ARG 89 -10.486 6.572 4.336 687 HD2 ARG 89 HD2 ARG 89 -11.564 4.715 6.474 688 HD3 ARG 89 HD1 ARG 89 -12.571 5.823 5.545 689 HE ARG 89 HE ARG 89 -11.044 4.280 3.709 690 HH11 ARG 89 HH21 ARG 89 -13.540 3.965 6.074 691 HH12 ARG 89 HH22 ARG 89 -14.289 2.613 5.291 692 HH21 ARG 89 HH11 ARG 89 -12.012 2.520 2.681 693 HH22 ARG 89 HH12 ARG 89 -13.425 1.796 3.372 694 H ILE 90 HN ILE 90 -6.578 6.479 7.409 695 HA ILE 90 HA ILE 90 -4.567 4.432 6.520 696 HB ILE 90 HB ILE 90 -4.123 6.967 8.123 697 HG12 ILE 90 HG12 ILE 90 -2.969 6.109 5.454 698 HG13 ILE 90 HG11 ILE 90 -4.374 7.162 5.608 699 HG21 ILE 90 HG21 ILE 90 -2.336 4.618 7.457 700 HG22 ILE 90 HG22 ILE 90 -2.691 5.296 9.046 701 HG23 ILE 90 HG23 ILE 90 -1.688 6.195 7.908 702 HD11 ILE 90 HD11 ILE 90 -2.461 8.593 5.362 703 HD12 ILE 90 HD12 ILE 90 -1.558 7.698 6.581 704 HD13 ILE 90 HD13 ILE 90 -2.944 8.681 7.054 705 H GLU 91 HN GLU 91 -4.304 2.768 7.923 706 HA GLU 91 HA GLU 91 -5.292 3.099 10.739 707 HB2 GLU 91 HB2 GLU 91 -6.901 1.785 9.372 708 HB3 GLU 91 HB1 GLU 91 -5.610 0.649 8.977 709 HG2 GLU 91 HG2 GLU 91 -5.327 0.084 11.330 710 HG3 GLU 91 HG1 GLU 91 -6.522 1.295 11.794 711 H SER 92 HN SER 92 -3.446 3.087 11.905 712 HA SER 92 HA SER 92 -1.056 1.691 11.074 713 HB2 SER 92 HB2 SER 92 -0.917 3.709 12.450 714 HB3 SER 92 HB1 SER 92 -1.831 2.925 13.736 715 HG SER 92 HG SER 92 0.766 2.333 12.774 716 H VAL 93 HN VAL 93 -0.256 -0.278 11.779 717 HA VAL 93 HA VAL 93 -2.158 -2.016 13.303 718 HB VAL 93 HB VAL 93 0.221 -2.688 11.543 719 HG11 VAL 93 HG11 VAL 93 -1.692 -4.392 13.146 720 HG12 VAL 93 HG12 VAL 93 0.072 -4.408 13.178 721 HG13 VAL 93 HG13 VAL 93 -0.790 -5.033 11.773 722 HG21 VAL 93 HG21 VAL 93 -1.640 -3.709 10.129 723 HG22 VAL 93 HG22 VAL 93 -1.599 -1.946 10.173 724 HG23 VAL 93 HG23 VAL 93 -2.778 -2.826 11.148 725 H ASN 94 HN ASN 94 1.341 -1.288 13.033 726 HA ASN 94 HA ASN 94 3.062 -1.552 14.609 727 HB2 ASN 94 HB2 ASN 94 0.788 -0.559 16.348 728 HB3 ASN 94 HB1 ASN 94 2.460 -0.681 16.898 729 HD21 ASN 94 HD21 ASN 94 3.579 0.077 14.222 730 HD22 ASN 94 HD22 ASN 94 3.290 1.739 14.055 731 H VAL 95 HN VAL 95 3.598 -3.688 14.761 732 HA VAL 95 HA VAL 95 1.882 -5.656 16.016 733 HB VAL 95 HB VAL 95 4.847 -5.911 15.465 734 HG11 VAL 95 HG11 VAL 95 3.679 -7.712 16.768 735 HG12 VAL 95 HG12 VAL 95 4.321 -8.270 15.223 736 HG13 VAL 95 HG13 VAL 95 2.597 -7.943 15.394 737 HG21 VAL 95 HG21 VAL 95 4.016 -6.849 13.235 738 HG22 VAL 95 HG22 VAL 95 3.911 -5.098 13.417 739 HG23 VAL 95 HG23 VAL 95 2.466 -6.092 13.604 740 H ASN 96 HN ASN 96 1.506 -5.456 18.171 741 HA ASN 96 HA ASN 96 3.766 -5.702 20.021 742 HB2 ASN 96 HB2 ASN 96 1.963 -3.262 20.049 743 HB3 ASN 96 HB1 ASN 96 3.017 -3.726 21.386 744 HD21 ASN 96 HD21 ASN 96 2.987 -1.530 19.015 745 HD22 ASN 96 HD22 ASN 96 4.627 -1.496 18.577 746 H ILE 97 HN ILE 97 3.023 -7.403 21.186 747 HA ILE 97 HA ILE 97 0.356 -7.181 22.479 748 HB ILE 97 HB ILE 97 0.028 -9.686 21.873 749 HG12 ILE 97 HG12 ILE 97 1.805 -8.899 19.549 750 HG13 ILE 97 HG11 ILE 97 2.405 -9.822 20.927 751 HG21 ILE 97 HG21 ILE 97 -1.079 -9.077 19.757 752 HG22 ILE 97 HG22 ILE 97 -0.176 -7.562 19.715 753 HG23 ILE 97 HG23 ILE 97 -1.362 -7.847 20.989 754 HD11 ILE 97 HD11 ILE 97 1.652 -11.245 18.984 755 HD12 ILE 97 HD12 ILE 97 0.014 -10.659 19.267 756 HD13 ILE 97 HD13 ILE 97 0.836 -11.609 20.505 757 HA PRO 98 HA PRO 98 3.839 -8.557 25.256 758 HB2 PRO 98 HB2 PRO 98 2.120 -7.028 27.173 759 HB3 PRO 98 HB1 PRO 98 3.878 -6.960 26.933 760 HG2 PRO 98 HG2 PRO 98 2.306 -5.000 26.065 761 HG3 PRO 98 HG1 PRO 98 3.705 -5.538 25.113 762 HD2 PRO 98 HD2 PRO 98 0.792 -6.147 24.682 763 HD3 PRO 98 HD1 PRO 98 2.059 -5.796 23.483 764 H LEU 99 HN LEU 99 3.792 -10.243 26.745 765 HA LEU 99 HA LEU 99 2.966 -12.155 27.785 766 HB2 LEU 99 HB2 LEU 99 0.873 -10.080 28.441 767 HB3 LEU 99 HB1 LEU 99 0.677 -11.750 28.974 768 HG LEU 99 HG LEU 99 2.889 -11.657 30.076 769 HD11 LEU 99 HD11 LEU 99 2.845 -8.848 28.958 770 HD12 LEU 99 HD12 LEU 99 4.100 -10.075 28.782 771 HD13 LEU 99 HD13 LEU 99 3.856 -9.282 30.336 772 HD21 LEU 99 HD21 LEU 99 2.200 -10.354 31.951 773 HD22 LEU 99 HD22 LEU 99 0.706 -10.924 31.207 774 HD23 LEU 99 HD23 LEU 99 1.249 -9.266 30.941 775 H GLU 100 HN GLU 100 2.549 -13.747 26.395 776 HA GLU 100 HA GLU 100 0.745 -13.658 24.213 777 HB2 GLU 100 HB2 GLU 100 1.030 -16.119 24.145 778 HB3 GLU 100 HB1 GLU 100 2.571 -15.289 24.357 779 HG2 GLU 100 HG2 GLU 100 2.452 -15.700 26.792 780 HG3 GLU 100 HG1 GLU 100 0.923 -16.551 26.572 781 H HIS 101 HN HIS 101 -1.364 -14.374 23.950 782 HA HIS 101 HA HIS 101 -3.064 -14.286 26.297 783 HB2 HIS 101 HB2 HIS 101 -3.622 -14.915 23.385 784 HB3 HIS 101 HB1 HIS 101 -4.877 -14.787 24.619 785 HD1 HIS 101 HD1 HIS 101 -2.408 -12.729 22.672 786 HD2 HIS 101 HD2 HIS 101 -5.360 -12.133 25.556 787 HE1 HIS 101 HE1 HIS 101 -2.789 -10.227 22.801 788 H HIS 102 HN HIS 102 -1.789 -16.176 27.269 789 HA HIS 102 HA HIS 102 -2.096 -18.845 26.268 790 HB2 HIS 102 HB2 HIS 102 -0.436 -18.178 27.998 791 HB3 HIS 102 HB1 HIS 102 -1.757 -17.907 29.134 792 HD1 HIS 102 HD1 HIS 102 -0.278 -20.716 27.035 793 HD2 HIS 102 HD2 HIS 102 -2.574 -20.193 30.474 794 HE1 HIS 102 HE1 HIS 102 -0.576 -23.015 28.053 795 H HIS 103 HN HIS 103 -4.012 -16.872 28.514 796 HA HIS 103 HA HIS 103 -5.871 -18.980 29.162 797 HB2 HIS 103 HB2 HIS 103 -5.488 -16.934 30.561 798 HB3 HIS 103 HB1 HIS 103 -6.302 -15.983 29.320 799 HD1 HIS 103 HD1 HIS 103 -7.069 -19.154 31.320 800 HD2 HIS 103 HD2 HIS 103 -8.994 -15.758 29.857 801 HE1 HIS 103 HE1 HIS 103 -9.475 -19.304 32.096 802 H HIS 104 HN HIS 104 -6.157 -19.675 26.846 803 HA HIS 104 HA HIS 104 -7.569 -18.049 24.945 804 HB2 HIS 104 HB2 HIS 104 -7.297 -21.049 25.279 805 HB3 HIS 104 HB1 HIS 104 -8.139 -20.308 23.918 806 HD1 HIS 104 HD1 HIS 104 -6.657 -18.690 22.375 807 HD2 HIS 104 HD2 HIS 104 -4.514 -21.065 25.047 808 HE1 HIS 104 HE1 HIS 104 -4.249 -18.652 21.594 809 H HIS 105 HN HIS 105 -8.572 -20.188 27.550 810 HA HIS 105 HA HIS 105 -10.660 -20.592 28.519 811 HB2 HIS 105 HB2 HIS 105 -10.547 -18.132 28.857 812 HB3 HIS 105 HB1 HIS 105 -11.321 -17.896 27.291 813 HD1 HIS 105 HD1 HIS 105 -12.056 -19.956 30.425 814 HD2 HIS 105 HD2 HIS 105 -14.053 -17.662 27.574 815 HE1 HIS 105 HE1 HIS 105 -14.498 -19.951 31.094 816 H HIS 106 HN HIS 106 -12.685 -18.806 26.531 817 HA HIS 106 HA HIS 106 -14.275 -20.883 25.645 818 HB2 HIS 106 HB2 HIS 106 -15.142 -19.364 23.962 819 HB3 HIS 106 HB1 HIS 106 -14.781 -18.445 25.422 820 HD1 HIS 106 HD1 HIS 106 -12.498 -17.043 25.394 821 HD2 HIS 106 HD2 HIS 106 -13.695 -18.570 21.704 822 HE1 HIS 106 HE1 HIS 106 -11.167 -15.796 23.635 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 -10.906 0.675 -4.630 2 H2 SER 1 HT2 SER 1 -11.769 1.757 -3.647 3 H3 SER 1 HT3 SER 1 -12.454 0.259 -4.070 4 HA SER 1 HA SER 1 -9.912 0.378 -2.587 5 HB2 SER 1 HB2 SER 1 -11.130 1.571 -1.036 6 HB3 SER 1 HB1 SER 1 -12.670 0.922 -1.591 7 HG SER 1 HG SER 1 -12.024 -1.097 -0.639 8 H ASP 2 HN ASP 2 -9.585 -1.435 -1.442 9 HA ASP 2 HA ASP 2 -10.618 -3.645 -0.653 10 HB2 ASP 2 HB2 ASP 2 -10.882 -5.393 -2.296 11 HB3 ASP 2 HB1 ASP 2 -11.924 -4.072 -2.776 12 H LEU 3 HN LEU 3 -9.069 -5.470 -0.525 13 HA LEU 3 HA LEU 3 -6.393 -4.282 -0.490 14 HB2 LEU 3 HB2 LEU 3 -7.701 -5.760 1.275 15 HB3 LEU 3 HB1 LEU 3 -6.995 -7.095 0.375 16 HG LEU 3 HG LEU 3 -5.520 -6.544 2.211 17 HD11 LEU 3 HD11 LEU 3 -3.487 -6.307 1.024 18 HD12 LEU 3 HD12 LEU 3 -4.238 -5.313 -0.227 19 HD13 LEU 3 HD13 LEU 3 -4.598 -7.038 -0.134 20 HD21 LEU 3 HD21 LEU 3 -4.897 -3.785 1.233 21 HD22 LEU 3 HD22 LEU 3 -4.939 -4.418 2.876 22 HD23 LEU 3 HD23 LEU 3 -6.440 -3.987 2.064 23 H VAL 4 HN VAL 4 -4.934 -4.535 -2.066 24 HA VAL 4 HA VAL 4 -4.910 -7.062 -3.671 25 HB VAL 4 HB VAL 4 -4.312 -5.710 -5.667 26 HG11 VAL 4 HG11 VAL 4 -6.645 -6.339 -5.362 27 HG12 VAL 4 HG12 VAL 4 -6.577 -4.699 -6.008 28 HG13 VAL 4 HG13 VAL 4 -6.913 -4.959 -4.295 29 HG21 VAL 4 HG21 VAL 4 -4.817 -3.417 -3.750 30 HG22 VAL 4 HG22 VAL 4 -4.816 -3.216 -5.502 31 HG23 VAL 4 HG23 VAL 4 -3.351 -3.743 -4.675 32 H LYS 5 HN LYS 5 -2.759 -7.455 -4.630 33 HA LYS 5 HA LYS 5 -0.675 -6.948 -2.676 34 HB2 LYS 5 HB2 LYS 5 -0.850 -8.424 -5.296 35 HB3 LYS 5 HB1 LYS 5 0.721 -8.152 -4.544 36 HG2 LYS 5 HG2 LYS 5 -0.109 -10.308 -3.809 37 HG3 LYS 5 HG1 LYS 5 -0.175 -9.202 -2.440 38 HD2 LYS 5 HD2 LYS 5 -2.546 -8.881 -2.713 39 HD3 LYS 5 HD1 LYS 5 -2.540 -9.734 -4.259 40 HE2 LYS 5 HE2 LYS 5 -1.769 -11.002 -1.617 41 HE3 LYS 5 HE1 LYS 5 -3.373 -11.128 -2.339 42 HZ1 LYS 5 HZ1 LYS 5 -1.484 -12.898 -2.795 43 HZ2 LYS 5 HZ2 LYS 5 -1.090 -11.798 -4.027 44 HZ3 LYS 5 HZ3 LYS 5 -2.638 -12.491 -3.970 45 H ILE 6 HN ILE 6 1.456 -6.074 -3.289 46 HA ILE 6 HA ILE 6 1.275 -3.429 -4.353 47 HB ILE 6 HB ILE 6 3.769 -5.142 -4.115 48 HG12 ILE 6 HG12 ILE 6 2.600 -5.237 -1.993 49 HG13 ILE 6 HG11 ILE 6 3.950 -4.117 -1.825 50 HG21 ILE 6 HG21 ILE 6 4.128 -3.053 -5.314 51 HG22 ILE 6 HG22 ILE 6 4.846 -2.927 -3.707 52 HG23 ILE 6 HG23 ILE 6 3.300 -2.150 -4.046 53 HD11 ILE 6 HD11 ILE 6 2.185 -2.929 -0.843 54 HD12 ILE 6 HD12 ILE 6 1.009 -3.515 -2.016 55 HD13 ILE 6 HD13 ILE 6 2.185 -2.291 -2.485 56 H ARG 7 HN ARG 7 2.487 -6.468 -5.747 57 HA ARG 7 HA ARG 7 3.339 -5.346 -8.242 58 HB2 ARG 7 HB2 ARG 7 3.849 -7.678 -7.205 59 HB3 ARG 7 HB1 ARG 7 2.321 -8.174 -7.928 60 HG2 ARG 7 HG2 ARG 7 3.787 -8.691 -9.662 61 HG3 ARG 7 HG1 ARG 7 3.343 -7.045 -10.109 62 HD2 ARG 7 HD2 ARG 7 5.374 -6.210 -8.920 63 HD3 ARG 7 HD1 ARG 7 5.824 -7.879 -8.573 64 HE ARG 7 HE ARG 7 5.402 -7.555 -11.394 65 HH11 ARG 7 HH21 ARG 7 7.531 -6.777 -8.796 66 HH12 ARG 7 HH22 ARG 7 8.938 -6.684 -9.801 67 HH21 ARG 7 HH11 ARG 7 7.225 -7.441 -12.719 68 HH22 ARG 7 HH12 ARG 7 8.764 -7.060 -12.024 69 H ASP 8 HN ASP 8 0.202 -6.043 -6.998 70 HA ASP 8 HA ASP 8 -1.071 -6.296 -9.642 71 HB2 ASP 8 HB2 ASP 8 -2.196 -6.088 -6.836 72 HB3 ASP 8 HB1 ASP 8 -3.190 -6.266 -8.282 73 H VAL 9 HN VAL 9 0.171 -3.723 -7.981 74 HA VAL 9 HA VAL 9 -1.919 -1.769 -8.174 75 HB VAL 9 HB VAL 9 1.098 -1.493 -8.138 76 HG11 VAL 9 HG11 VAL 9 -1.111 0.572 -8.063 77 HG12 VAL 9 HG12 VAL 9 0.310 0.532 -9.106 78 HG13 VAL 9 HG13 VAL 9 0.487 0.892 -7.389 79 HG21 VAL 9 HG21 VAL 9 -0.155 -2.488 -6.142 80 HG22 VAL 9 HG22 VAL 9 -0.932 -0.914 -5.965 81 HG23 VAL 9 HG23 VAL 9 0.819 -1.057 -5.800 82 H SER 10 HN SER 10 -2.629 -0.590 -9.893 83 HA SER 10 HA SER 10 -0.969 -0.206 -12.279 84 HB2 SER 10 HB2 SER 10 -3.527 -1.828 -12.422 85 HB3 SER 10 HB1 SER 10 -2.633 -1.226 -13.816 86 HG SER 10 HG SER 10 -2.240 -3.480 -12.791 87 H LEU 11 HN LEU 11 -2.093 1.220 -13.862 88 HA LEU 11 HA LEU 11 -3.437 3.388 -12.540 89 HB2 LEU 11 HB2 LEU 11 -3.203 2.751 -15.500 90 HB3 LEU 11 HB1 LEU 11 -3.753 4.288 -14.836 91 HG LEU 11 HG LEU 11 -1.038 3.049 -14.293 92 HD11 LEU 11 HD11 LEU 11 -1.463 3.840 -16.668 93 HD12 LEU 11 HD12 LEU 11 -0.133 4.649 -15.838 94 HD13 LEU 11 HD13 LEU 11 -1.690 5.460 -16.006 95 HD21 LEU 11 HD21 LEU 11 -0.695 5.597 -13.604 96 HD22 LEU 11 HD22 LEU 11 -1.394 4.456 -12.463 97 HD23 LEU 11 HD23 LEU 11 -2.442 5.549 -13.366 98 H SER 12 HN SER 12 -4.564 0.560 -14.272 99 HA SER 12 HA SER 12 -7.241 1.365 -14.791 100 HB2 SER 12 HB2 SER 12 -7.755 -1.055 -14.804 101 HB3 SER 12 HB1 SER 12 -6.269 -0.718 -15.686 102 HG SER 12 HG SER 12 -5.599 -1.071 -13.168 103 H THR 13 HN THR 13 -5.624 0.637 -11.837 104 HA THR 13 HA THR 13 -8.234 0.635 -10.352 105 HB THR 13 HB THR 13 -7.274 -0.778 -8.733 106 HG1 THR 13 HG1 THR 13 -4.781 -1.111 -9.590 107 HG21 THR 13 HG21 THR 13 -5.979 -1.729 -11.289 108 HG22 THR 13 HG22 THR 13 -7.718 -1.815 -11.009 109 HG23 THR 13 HG23 THR 13 -6.612 -2.711 -9.968 110 HA PRO 14 HA PRO 14 -5.813 4.480 -9.349 111 HB2 PRO 14 HB2 PRO 14 -7.942 6.212 -9.311 112 HB3 PRO 14 HB1 PRO 14 -7.063 5.781 -10.790 113 HG2 PRO 14 HG2 PRO 14 -9.673 4.756 -9.777 114 HG3 PRO 14 HG1 PRO 14 -9.176 5.135 -11.436 115 HD2 PRO 14 HD2 PRO 14 -9.272 2.582 -10.436 116 HD3 PRO 14 HD1 PRO 14 -8.178 3.063 -11.750 117 H TYR 15 HN TYR 15 -8.421 2.817 -7.827 118 HA TYR 15 HA TYR 15 -7.698 4.102 -5.214 119 HB2 TYR 15 HB2 TYR 15 -10.485 3.383 -6.171 120 HB3 TYR 15 HB1 TYR 15 -10.078 3.967 -4.556 121 HD1 TYR 15 HD1 TYR 15 -8.706 6.203 -4.454 122 HD2 TYR 15 HD2 TYR 15 -11.033 4.948 -7.840 123 HE1 TYR 15 HE1 TYR 15 -8.791 8.546 -5.262 124 HE2 TYR 15 HE2 TYR 15 -11.121 7.291 -8.647 125 HH TYR 15 HH TYR 15 -10.931 9.615 -7.572 126 H VAL 16 HN VAL 16 -6.600 2.454 -4.252 127 HA VAL 16 HA VAL 16 -8.082 -0.082 -3.796 128 HB VAL 16 HB VAL 16 -6.046 -1.421 -4.313 129 HG11 VAL 16 HG11 VAL 16 -6.948 0.250 -6.670 130 HG12 VAL 16 HG12 VAL 16 -7.934 -1.024 -5.951 131 HG13 VAL 16 HG13 VAL 16 -6.383 -1.422 -6.693 132 HG21 VAL 16 HG21 VAL 16 -4.374 0.349 -4.070 133 HG22 VAL 16 HG22 VAL 16 -5.077 1.228 -5.428 134 HG23 VAL 16 HG23 VAL 16 -4.291 -0.328 -5.697 135 H SER 17 HN SER 17 -7.016 -1.390 -2.060 136 HA SER 17 HA SER 17 -5.683 0.401 -0.055 137 HB2 SER 17 HB2 SER 17 -7.843 -0.492 0.690 138 HB3 SER 17 HB1 SER 17 -7.315 -2.132 0.322 139 HG SER 17 HG SER 17 -6.848 -1.924 2.426 140 H VAL 18 HN VAL 18 -3.740 -0.278 0.852 141 HA VAL 18 HA VAL 18 -2.642 -2.931 -0.007 142 HB VAL 18 HB VAL 18 -0.435 -1.807 -0.360 143 HG11 VAL 18 HG11 VAL 18 -0.934 -1.039 -2.560 144 HG12 VAL 18 HG12 VAL 18 -2.560 -0.538 -2.099 145 HG13 VAL 18 HG13 VAL 18 -2.161 -2.252 -2.203 146 HG21 VAL 18 HG21 VAL 18 -0.919 0.193 1.045 147 HG22 VAL 18 HG22 VAL 18 -2.090 0.730 -0.159 148 HG23 VAL 18 HG23 VAL 18 -0.378 0.639 -0.573 149 H ILE 19 HN ILE 19 -0.863 -3.660 1.374 150 HA ILE 19 HA ILE 19 -0.627 -2.307 4.007 151 HB ILE 19 HB ILE 19 -2.484 -4.045 4.077 152 HG12 ILE 19 HG12 ILE 19 -0.025 -4.425 5.814 153 HG13 ILE 19 HG11 ILE 19 -1.366 -3.318 6.117 154 HG21 ILE 19 HG21 ILE 19 -1.150 -5.616 2.539 155 HG22 ILE 19 HG22 ILE 19 -1.958 -6.352 3.923 156 HG23 ILE 19 HG23 ILE 19 -0.222 -6.043 3.978 157 HD11 ILE 19 HD11 ILE 19 -1.365 -6.333 6.229 158 HD12 ILE 19 HD12 ILE 19 -2.865 -5.427 6.051 159 HD13 ILE 19 HD13 ILE 19 -1.856 -5.188 7.476 160 H GLY 20 HN GLY 20 1.426 -2.492 4.864 161 HA2 GLY 20 HA2 GLY 20 3.211 -4.655 4.368 162 HA3 GLY 20 HA1 GLY 20 3.539 -3.407 3.168 163 H LYS 21 HN LYS 21 5.665 -3.435 4.323 164 HA LYS 21 HA LYS 21 5.661 -1.892 6.880 165 HB2 LYS 21 HB2 LYS 21 6.902 -4.037 6.844 166 HB3 LYS 21 HB1 LYS 21 7.892 -3.429 5.519 167 HG2 LYS 21 HG2 LYS 21 8.754 -1.637 6.929 168 HG3 LYS 21 HG1 LYS 21 7.685 -2.125 8.248 169 HD2 LYS 21 HD2 LYS 21 8.797 -4.332 8.331 170 HD3 LYS 21 HD1 LYS 21 9.878 -3.831 7.031 171 HE2 LYS 21 HE2 LYS 21 9.646 -2.325 9.644 172 HE3 LYS 21 HE1 LYS 21 10.832 -3.602 9.373 173 HZ1 LYS 21 HZ1 LYS 21 11.660 -2.360 7.461 174 HZ2 LYS 21 HZ2 LYS 21 11.783 -1.452 8.892 175 HZ3 LYS 21 HZ3 LYS 21 10.548 -1.117 7.773 176 H ILE 22 HN ILE 22 6.360 0.176 6.908 177 HA ILE 22 HA ILE 22 7.134 1.419 4.333 178 HB ILE 22 HB ILE 22 6.823 2.760 7.030 179 HG12 ILE 22 HG12 ILE 22 4.753 1.575 6.638 180 HG13 ILE 22 HG11 ILE 22 4.478 3.266 6.225 181 HG21 ILE 22 HG21 ILE 22 7.909 3.938 5.018 182 HG22 ILE 22 HG22 ILE 22 6.553 4.763 5.783 183 HG23 ILE 22 HG23 ILE 22 6.312 3.889 4.272 184 HD11 ILE 22 HD11 ILE 22 4.836 0.916 4.374 185 HD12 ILE 22 HD12 ILE 22 5.111 2.562 3.807 186 HD13 ILE 22 HD13 ILE 22 3.524 2.092 4.415 187 H THR 23 HN THR 23 9.211 1.947 3.814 188 HA THR 23 HA THR 23 11.249 2.170 5.996 189 HB THR 23 HB THR 23 12.814 0.796 4.738 190 HG1 THR 23 HG1 THR 23 12.473 0.342 2.720 191 HG21 THR 23 HG21 THR 23 11.706 -1.371 4.927 192 HG22 THR 23 HG22 THR 23 10.125 -0.591 4.898 193 HG23 THR 23 HG23 THR 23 11.208 -0.337 6.266 194 H GLY 24 HN GLY 24 13.224 3.309 5.246 195 HA2 GLY 24 HA2 GLY 24 14.247 5.145 4.203 196 HA3 GLY 24 HA1 GLY 24 13.504 4.551 2.717 197 H ILE 25 HN ILE 25 12.880 6.544 5.593 198 HA ILE 25 HA ILE 25 10.508 7.760 4.292 199 HB ILE 25 HB ILE 25 11.779 8.428 6.963 200 HG12 ILE 25 HG12 ILE 25 11.185 6.076 6.984 201 HG13 ILE 25 HG11 ILE 25 9.966 6.958 7.901 202 HG21 ILE 25 HG21 ILE 25 9.411 9.206 7.433 203 HG22 ILE 25 HG22 ILE 25 9.079 8.998 5.713 204 HG23 ILE 25 HG23 ILE 25 10.289 10.168 6.243 205 HD11 ILE 25 HD11 ILE 25 8.663 5.554 6.547 206 HD12 ILE 25 HD12 ILE 25 9.745 5.722 5.165 207 HD13 ILE 25 HD13 ILE 25 8.679 7.051 5.618 208 H HIS 26 HN HIS 26 10.768 9.469 2.984 209 HA HIS 26 HA HIS 26 13.081 11.333 3.441 210 HB2 HIS 26 HB2 HIS 26 11.734 10.498 0.853 211 HB3 HIS 26 HB1 HIS 26 12.934 11.785 0.980 212 HD1 HIS 26 HD1 HIS 26 12.558 8.065 1.071 213 HD2 HIS 26 HD2 HIS 26 15.596 10.880 1.554 214 HE1 HIS 26 HE1 HIS 26 14.740 6.779 1.042 215 H LYS 27 HN LYS 27 12.459 13.362 3.972 216 HA LYS 27 HA LYS 27 9.598 14.105 3.689 217 HB2 LYS 27 HB2 LYS 27 10.739 14.447 5.868 218 HB3 LYS 27 HB1 LYS 27 11.871 15.550 5.087 219 HG2 LYS 27 HG2 LYS 27 10.024 17.043 4.462 220 HG3 LYS 27 HG1 LYS 27 8.861 15.926 5.177 221 HD2 LYS 27 HD2 LYS 27 9.933 16.223 7.381 222 HD3 LYS 27 HD1 LYS 27 11.086 17.351 6.666 223 HE2 LYS 27 HE2 LYS 27 9.037 18.694 5.885 224 HE3 LYS 27 HE1 LYS 27 8.102 17.694 6.998 225 HZ1 LYS 27 HZ1 LYS 27 10.550 18.945 7.997 226 HZ2 LYS 27 HZ2 LYS 27 9.097 18.604 8.809 227 HZ3 LYS 27 HZ3 LYS 27 9.196 19.939 7.763 228 H LYS 28 HN LYS 28 8.896 15.618 2.262 229 HA LYS 28 HA LYS 28 10.808 17.489 0.991 230 HB2 LYS 28 HB2 LYS 28 10.781 15.441 -0.443 231 HB3 LYS 28 HB1 LYS 28 9.041 15.637 -0.643 232 HG2 LYS 28 HG2 LYS 28 9.403 17.876 -1.630 233 HG3 LYS 28 HG1 LYS 28 11.144 17.673 -1.448 234 HD2 LYS 28 HD2 LYS 28 9.481 15.681 -2.996 235 HD3 LYS 28 HD1 LYS 28 10.111 17.138 -3.760 236 HE2 LYS 28 HE2 LYS 28 12.416 16.448 -2.957 237 HE3 LYS 28 HE1 LYS 28 11.708 14.908 -2.470 238 HZ1 LYS 28 HZ1 LYS 28 11.471 16.004 -5.210 239 HZ2 LYS 28 HZ2 LYS 28 11.094 14.434 -4.681 240 HZ3 LYS 28 HZ3 LYS 28 12.712 14.949 -4.737 241 H GLU 29 HN GLU 29 9.785 19.391 0.322 242 HA GLU 29 HA GLU 29 6.815 19.544 0.745 243 HB2 GLU 29 HB2 GLU 29 7.098 21.760 1.687 244 HB3 GLU 29 HB1 GLU 29 8.134 20.646 2.576 245 HG2 GLU 29 HG2 GLU 29 10.050 21.345 1.121 246 HG3 GLU 29 HG1 GLU 29 8.998 22.552 0.378 247 H TYR 30 HN TYR 30 5.667 20.792 -0.748 248 HA TYR 30 HA TYR 30 7.214 22.140 -2.913 249 HB2 TYR 30 HB2 TYR 30 5.908 21.021 -4.654 250 HB3 TYR 30 HB1 TYR 30 6.757 19.821 -3.683 251 HD1 TYR 30 HD1 TYR 30 5.478 18.722 -1.734 252 HD2 TYR 30 HD2 TYR 30 3.558 20.928 -4.882 253 HE1 TYR 30 HE1 TYR 30 3.325 17.623 -1.196 254 HE2 TYR 30 HE2 TYR 30 1.405 19.826 -4.339 255 HH TYR 30 HH TYR 30 0.644 18.496 -1.676 256 H GLU 31 HN GLU 31 5.829 23.572 -4.218 257 HA GLU 31 HA GLU 31 3.909 24.966 -2.519 258 HB2 GLU 31 HB2 GLU 31 5.550 26.081 -4.107 259 HB3 GLU 31 HB1 GLU 31 4.533 25.509 -5.430 260 HG2 GLU 31 HG2 GLU 31 3.811 27.743 -4.932 261 HG3 GLU 31 HG1 GLU 31 2.581 26.662 -4.276 262 H SER 32 HN SER 32 1.849 24.240 -2.356 263 HA SER 32 HA SER 32 0.577 22.935 -4.740 264 HB2 SER 32 HB2 SER 32 -0.398 22.793 -1.881 265 HB3 SER 32 HB1 SER 32 -0.821 21.743 -3.230 266 HG SER 32 HG SER 32 1.010 21.287 -1.491 267 H ASP 33 HN ASP 33 -0.659 24.381 -5.821 268 HA ASP 33 HA ASP 33 -2.157 26.133 -6.244 269 HB2 ASP 33 HB2 ASP 33 -3.203 25.061 -3.615 270 HB3 ASP 33 HB1 ASP 33 -4.036 26.309 -4.541 271 H GLY 34 HN GLY 34 0.345 26.789 -4.813 272 HA2 GLY 34 HA2 GLY 34 1.167 28.952 -4.212 273 HA3 GLY 34 HA1 GLY 34 -0.482 29.465 -3.866 274 H THR 35 HN THR 35 -0.211 26.553 -2.368 275 HA THR 35 HA THR 35 0.761 27.786 0.198 276 HB THR 35 HB THR 35 -0.833 26.341 1.358 277 HG1 THR 35 HG1 THR 35 -2.191 25.015 0.191 278 HG21 THR 35 HG21 THR 35 -1.587 28.562 0.547 279 HG22 THR 35 HG22 THR 35 -2.908 27.395 0.592 280 HG23 THR 35 HG23 THR 35 -2.148 27.808 -0.945 281 H THR 36 HN THR 36 2.539 26.840 0.991 282 HA THR 36 HA THR 36 3.732 24.530 -0.251 283 HB THR 36 HB THR 36 4.415 25.762 2.430 284 HG1 THR 36 HG1 THR 36 5.966 26.447 0.325 285 HG21 THR 36 HG21 THR 36 6.709 24.915 1.776 286 HG22 THR 36 HG22 THR 36 5.932 24.044 0.453 287 HG23 THR 36 HG23 THR 36 5.527 23.652 2.124 288 H LYS 37 HN LYS 37 3.641 22.409 0.313 289 HA LYS 37 HA LYS 37 2.265 21.654 2.865 290 HB2 LYS 37 HB2 LYS 37 1.774 20.502 0.102 291 HB3 LYS 37 HB1 LYS 37 1.209 19.756 1.598 292 HG2 LYS 37 HG2 LYS 37 -0.038 21.816 2.152 293 HG3 LYS 37 HG1 LYS 37 0.507 22.547 0.642 294 HD2 LYS 37 HD2 LYS 37 -0.620 20.774 -0.638 295 HD3 LYS 37 HD1 LYS 37 -1.149 20.017 0.865 296 HE2 LYS 37 HE2 LYS 37 -2.402 22.066 1.451 297 HE3 LYS 37 HE1 LYS 37 -1.888 22.807 -0.065 298 HZ1 LYS 37 HZ1 LYS 37 -3.791 21.930 -0.822 299 HZ2 LYS 37 HZ2 LYS 37 -3.891 20.772 0.419 300 HZ3 LYS 37 HZ3 LYS 37 -2.895 20.494 -0.930 301 H SER 38 HN SER 38 3.037 19.743 3.810 302 HA SER 38 HA SER 38 5.721 18.892 2.842 303 HB2 SER 38 HB2 SER 38 5.697 19.503 5.160 304 HB3 SER 38 HB1 SER 38 4.251 18.546 5.466 305 HG SER 38 HG SER 38 5.421 16.761 5.468 306 H VAL 39 HN VAL 39 6.044 16.922 1.968 307 HA VAL 39 HA VAL 39 3.954 14.809 2.302 308 HB VAL 39 HB VAL 39 3.568 15.706 0.103 309 HG11 VAL 39 HG11 VAL 39 5.674 16.953 -0.117 310 HG12 VAL 39 HG12 VAL 39 5.396 15.950 -1.540 311 HG13 VAL 39 HG13 VAL 39 6.558 15.441 -0.318 312 HG21 VAL 39 HG21 VAL 39 5.391 13.340 -0.376 313 HG22 VAL 39 HG22 VAL 39 3.920 13.775 -1.245 314 HG23 VAL 39 HG23 VAL 39 3.820 13.162 0.405 315 H TYR 40 HN TYR 40 4.800 12.831 2.760 316 HA TYR 40 HA TYR 40 7.784 12.595 2.843 317 HB2 TYR 40 HB2 TYR 40 5.604 11.071 4.304 318 HB3 TYR 40 HB1 TYR 40 7.332 10.739 4.447 319 HD1 TYR 40 HD2 TYR 40 4.682 13.253 5.076 320 HD2 TYR 40 HD1 TYR 40 8.792 12.178 5.710 321 HE1 TYR 40 HE2 TYR 40 4.898 15.067 6.754 322 HE2 TYR 40 HE1 TYR 40 9.008 13.992 7.386 323 HH TYR 40 HH TYR 40 7.939 15.561 8.543 324 H GLN 41 HN GLN 41 8.783 11.063 1.623 325 HA GLN 41 HA GLN 41 7.076 9.107 0.116 326 HB2 GLN 41 HB2 GLN 41 9.484 10.679 -0.839 327 HB3 GLN 41 HB1 GLN 41 8.767 9.334 -1.727 328 HG2 GLN 41 HG2 GLN 41 6.624 10.518 -1.840 329 HG3 GLN 41 HG1 GLN 41 7.295 11.852 -0.902 330 HE21 GLN 41 HE21 GLN 41 6.478 12.873 -3.161 331 HE22 GLN 41 HE22 GLN 41 7.689 13.020 -4.341 332 H GLY 42 HN GLY 42 8.082 7.085 -0.341 333 HA2 GLY 42 HA2 GLY 42 10.732 6.432 0.578 334 HA3 GLY 42 HA1 GLY 42 9.538 5.955 1.783 335 H TYR 43 HN TYR 43 9.987 3.743 1.444 336 HA TYR 43 HA TYR 43 8.797 2.619 -1.068 337 HB2 TYR 43 HB2 TYR 43 11.294 1.707 0.393 338 HB3 TYR 43 HB1 TYR 43 10.499 0.785 -0.885 339 HD1 TYR 43 HD1 TYR 43 12.131 4.047 -0.122 340 HD2 TYR 43 HD2 TYR 43 10.826 1.324 -3.176 341 HE1 TYR 43 HE1 TYR 43 13.299 5.408 -1.834 342 HE2 TYR 43 HE2 TYR 43 11.993 2.685 -4.888 343 HH TYR 43 HH TYR 43 14.309 4.729 -4.347 344 H ILE 44 HN ILE 44 7.572 0.769 -0.777 345 HA ILE 44 HA ILE 44 7.118 -0.130 2.050 346 HB ILE 44 HB ILE 44 5.207 1.221 1.134 347 HG12 ILE 44 HG12 ILE 44 4.452 -1.701 1.365 348 HG13 ILE 44 HG11 ILE 44 4.978 -0.759 2.759 349 HG21 ILE 44 HG21 ILE 44 4.867 -1.087 -0.800 350 HG22 ILE 44 HG22 ILE 44 5.610 0.447 -1.253 351 HG23 ILE 44 HG23 ILE 44 3.927 0.402 -0.732 352 HD11 ILE 44 HD11 ILE 44 3.171 0.888 2.298 353 HD12 ILE 44 HD12 ILE 44 2.534 -0.726 2.618 354 HD13 ILE 44 HD13 ILE 44 2.620 -0.123 0.962 355 H GLU 45 HN GLU 45 6.986 -2.353 2.327 356 HA GLU 45 HA GLU 45 7.312 -4.047 -0.143 357 HB2 GLU 45 HB2 GLU 45 9.469 -3.794 1.065 358 HB3 GLU 45 HB1 GLU 45 8.708 -4.429 2.524 359 HG2 GLU 45 HG2 GLU 45 8.235 -6.548 1.403 360 HG3 GLU 45 HG1 GLU 45 8.885 -5.920 -0.112 361 H ASP 46 HN ASP 46 6.403 -6.148 -0.010 362 HA ASP 46 HA ASP 46 4.730 -6.754 2.385 363 HB2 ASP 46 HB2 ASP 46 3.413 -5.504 0.546 364 HB3 ASP 46 HB1 ASP 46 3.598 -6.973 -0.411 365 H ASP 47 HN ASP 47 3.402 -8.935 0.957 366 HA ASP 47 HA ASP 47 5.503 -10.935 1.245 367 HB2 ASP 47 HB2 ASP 47 2.583 -11.117 0.448 368 HB3 ASP 47 HB1 ASP 47 3.635 -12.521 0.626 369 H THR 48 HN THR 48 4.515 -8.958 -1.297 370 HA THR 48 HA THR 48 5.364 -10.944 -3.381 371 HB THR 48 HB THR 48 4.310 -9.310 -4.972 372 HG1 THR 48 HG1 THR 48 3.509 -8.119 -2.527 373 HG21 THR 48 HG21 THR 48 2.374 -10.153 -2.810 374 HG22 THR 48 HG22 THR 48 3.129 -11.315 -3.902 375 HG23 THR 48 HG23 THR 48 2.090 -10.047 -4.548 376 H ALA 49 HN ALA 49 5.399 -7.434 -3.685 377 HA ALA 49 HA ALA 49 8.393 -7.469 -3.794 378 HB1 ALA 49 HB1 ALA 49 8.375 -6.180 -5.839 379 HB2 ALA 49 HB2 ALA 49 6.616 -6.044 -5.797 380 HB3 ALA 49 HB3 ALA 49 7.373 -7.608 -6.102 381 H ARG 50 HN ARG 50 8.303 -4.656 -4.748 382 HA ARG 50 HA ARG 50 7.043 -3.240 -2.465 383 HB2 ARG 50 HB2 ARG 50 9.187 -2.064 -1.973 384 HB3 ARG 50 HB1 ARG 50 9.285 -3.796 -1.654 385 HG2 ARG 50 HG2 ARG 50 10.357 -4.155 -3.837 386 HG3 ARG 50 HG1 ARG 50 10.240 -2.433 -4.193 387 HD2 ARG 50 HD2 ARG 50 12.485 -2.941 -3.374 388 HD3 ARG 50 HD1 ARG 50 11.632 -1.953 -2.189 389 HE ARG 50 HE ARG 50 11.554 -3.824 -0.719 390 HH11 ARG 50 HH21 ARG 50 12.698 -4.639 -3.876 391 HH12 ARG 50 HH22 ARG 50 13.267 -6.204 -3.403 392 HH21 ARG 50 HH11 ARG 50 12.287 -5.863 -0.098 393 HH22 ARG 50 HH12 ARG 50 13.033 -6.896 -1.271 394 H ILE 51 HN ILE 51 6.908 -0.915 -2.812 395 HA ILE 51 HA ILE 51 7.691 0.084 -5.492 396 HB ILE 51 HB ILE 51 5.396 -0.956 -5.729 397 HG12 ILE 51 HG12 ILE 51 5.341 2.051 -6.054 398 HG13 ILE 51 HG11 ILE 51 6.299 1.010 -7.104 399 HG21 ILE 51 HG21 ILE 51 4.501 1.385 -4.024 400 HG22 ILE 51 HG22 ILE 51 4.677 -0.253 -3.392 401 HG23 ILE 51 HG23 ILE 51 3.505 0.082 -4.667 402 HD11 ILE 51 HD11 ILE 51 4.000 1.567 -7.996 403 HD12 ILE 51 HD12 ILE 51 3.327 0.640 -6.655 404 HD13 ILE 51 HD13 ILE 51 4.336 -0.159 -7.860 405 H ARG 52 HN ARG 52 7.263 2.476 -5.666 406 HA ARG 52 HA ARG 52 8.034 3.781 -3.172 407 HB2 ARG 52 HB2 ARG 52 7.472 4.836 -5.956 408 HB3 ARG 52 HB1 ARG 52 7.964 5.866 -4.609 409 HG2 ARG 52 HG2 ARG 52 10.008 4.546 -4.323 410 HG3 ARG 52 HG1 ARG 52 9.519 3.479 -5.638 411 HD2 ARG 52 HD2 ARG 52 9.577 5.373 -7.209 412 HD3 ARG 52 HD1 ARG 52 10.043 6.455 -5.896 413 HE ARG 52 HE ARG 52 11.918 4.332 -5.946 414 HH11 ARG 52 HH21 ARG 52 10.785 6.947 -7.878 415 HH12 ARG 52 HH22 ARG 52 12.304 7.193 -8.673 416 HH21 ARG 52 HH11 ARG 52 13.904 4.632 -6.968 417 HH22 ARG 52 HH12 ARG 52 14.074 5.879 -8.157 418 H ILE 53 HN ILE 53 6.809 5.226 -1.961 419 HA ILE 53 HA ILE 53 3.955 5.629 -2.754 420 HB ILE 53 HB ILE 53 3.135 5.059 -0.586 421 HG12 ILE 53 HG12 ILE 53 4.866 5.969 0.851 422 HG13 ILE 53 HG11 ILE 53 4.682 4.261 1.230 423 HG21 ILE 53 HG21 ILE 53 3.565 3.150 -2.072 424 HG22 ILE 53 HG22 ILE 53 3.793 2.698 -0.383 425 HG23 ILE 53 HG23 ILE 53 5.194 2.995 -1.412 426 HD11 ILE 53 HD11 ILE 53 6.908 5.625 -0.256 427 HD12 ILE 53 HD12 ILE 53 6.603 3.905 -0.499 428 HD13 ILE 53 HD13 ILE 53 7.006 4.513 1.103 429 H SER 54 HN SER 54 2.946 7.425 -1.589 430 HA SER 54 HA SER 54 4.857 9.398 -0.425 431 HB2 SER 54 HB2 SER 54 2.803 10.075 -2.548 432 HB3 SER 54 HB1 SER 54 3.948 11.183 -1.798 433 HG SER 54 HG SER 54 4.475 8.983 -3.506 434 H SER 55 HN SER 55 3.974 10.590 1.224 435 HA SER 55 HA SER 55 1.076 10.133 1.867 436 HB2 SER 55 HB2 SER 55 1.612 9.846 4.109 437 HB3 SER 55 HB1 SER 55 3.058 9.170 3.366 438 HG SER 55 HG SER 55 2.655 11.672 4.589 439 H PHE 56 HN PHE 56 -0.034 11.996 1.555 440 HA PHE 56 HA PHE 56 1.418 14.590 1.772 441 HB2 PHE 56 HB2 PHE 56 -1.287 13.808 0.656 442 HB3 PHE 56 HB1 PHE 56 -0.736 15.481 0.777 443 HD1 PHE 56 HD2 PHE 56 -0.175 12.220 -0.853 444 HD2 PHE 56 HD1 PHE 56 1.076 16.322 -0.620 445 HE1 PHE 56 HE2 PHE 56 1.135 11.940 -2.940 446 HE2 PHE 56 HE1 PHE 56 2.386 16.039 -2.707 447 HZ PHE 56 HZ PHE 56 2.417 13.848 -3.865 448 H GLY 57 HN GLY 57 1.349 15.605 3.707 449 HA2 GLY 57 HA2 GLY 57 0.417 16.574 5.642 450 HA3 GLY 57 HA1 GLY 57 -1.172 16.085 5.057 451 H LYS 58 HN LYS 58 0.231 13.258 4.863 452 HA LYS 58 HA LYS 58 -0.448 12.500 7.679 453 HB2 LYS 58 HB2 LYS 58 -0.240 10.781 5.186 454 HB3 LYS 58 HB1 LYS 58 -0.753 10.230 6.780 455 HG2 LYS 58 HG2 LYS 58 -2.158 12.391 5.179 456 HG3 LYS 58 HG1 LYS 58 -2.671 10.706 5.242 457 HD2 LYS 58 HD2 LYS 58 -2.684 11.043 7.831 458 HD3 LYS 58 HD1 LYS 58 -2.688 12.765 7.449 459 HE2 LYS 58 HE2 LYS 58 -4.972 12.223 7.629 460 HE3 LYS 58 HE1 LYS 58 -4.673 12.229 5.891 461 HZ1 LYS 58 HZ1 LYS 58 -4.683 9.931 5.800 462 HZ2 LYS 58 HZ2 LYS 58 -5.917 10.255 6.922 463 HZ3 LYS 58 HZ3 LYS 58 -4.387 9.748 7.460 464 H GLN 59 HN GLN 59 1.355 12.544 8.883 465 HA GLN 59 HA GLN 59 3.997 11.999 7.836 466 HB2 GLN 59 HB2 GLN 59 3.642 13.486 9.769 467 HB3 GLN 59 HB1 GLN 59 3.006 12.131 10.701 468 HG2 GLN 59 HG2 GLN 59 5.139 10.984 10.603 469 HG3 GLN 59 HG1 GLN 59 5.789 12.198 9.500 470 HE21 GLN 59 HE21 GLN 59 7.027 11.651 12.035 471 HE22 GLN 59 HE22 GLN 59 6.850 13.023 13.019 472 H LEU 60 HN LEU 60 5.249 10.145 8.101 473 HA LEU 60 HA LEU 60 3.873 7.707 9.183 474 HB2 LEU 60 HB2 LEU 60 5.627 7.896 6.710 475 HB3 LEU 60 HB1 LEU 60 4.958 6.409 7.379 476 HG LEU 60 HG LEU 60 3.313 8.763 6.396 477 HD11 LEU 60 HD11 LEU 60 4.401 7.645 4.529 478 HD12 LEU 60 HD12 LEU 60 2.700 7.179 4.551 479 HD13 LEU 60 HD13 LEU 60 3.928 6.065 5.152 480 HD21 LEU 60 HD21 LEU 60 1.539 6.779 6.495 481 HD22 LEU 60 HD22 LEU 60 1.913 7.710 7.942 482 HD23 LEU 60 HD23 LEU 60 2.652 6.127 7.700 483 H GLN 61 HN GLN 61 5.301 6.141 10.107 484 HA GLN 61 HA GLN 61 7.897 7.315 11.024 485 HB2 GLN 61 HB2 GLN 61 6.099 5.180 12.199 486 HB3 GLN 61 HB1 GLN 61 7.693 5.581 12.844 487 HG2 GLN 61 HG2 GLN 61 6.988 7.901 13.204 488 HG3 GLN 61 HG1 GLN 61 5.410 7.545 12.502 489 HE21 GLN 61 HE21 GLN 61 4.962 8.435 14.907 490 HE22 GLN 61 HE22 GLN 61 4.776 7.222 16.080 491 H ASP 62 HN ASP 62 9.786 6.208 10.729 492 HA ASP 62 HA ASP 62 9.966 4.351 8.557 493 HB2 ASP 62 HB2 ASP 62 11.779 5.919 9.249 494 HB3 ASP 62 HB1 ASP 62 12.031 4.946 10.697 495 H SER 63 HN SER 63 10.121 2.165 8.513 496 HA SER 63 HA SER 63 9.968 -0.048 9.212 497 HB2 SER 63 HB2 SER 63 11.073 0.874 11.865 498 HB3 SER 63 HB1 SER 63 11.232 -0.710 11.115 499 HG SER 63 HG SER 63 12.569 0.163 9.583 500 H ASP 64 HN ASP 64 7.622 0.275 9.176 501 HA ASP 64 HA ASP 64 6.420 -0.559 11.688 502 HB2 ASP 64 HB2 ASP 64 5.858 2.204 10.589 503 HB3 ASP 64 HB1 ASP 64 4.733 1.364 11.657 504 H VAL 65 HN VAL 65 4.838 -1.962 11.144 505 HA VAL 65 HA VAL 65 3.980 -2.206 8.366 506 HB VAL 65 HB VAL 65 2.818 -3.648 10.753 507 HG11 VAL 65 HG11 VAL 65 2.342 -5.386 9.127 508 HG12 VAL 65 HG12 VAL 65 3.232 -4.518 7.876 509 HG13 VAL 65 HG13 VAL 65 1.719 -3.859 8.500 510 HG21 VAL 65 HG21 VAL 65 4.571 -5.379 10.316 511 HG22 VAL 65 HG22 VAL 65 5.248 -3.856 10.893 512 HG23 VAL 65 HG23 VAL 65 5.340 -4.270 9.181 513 H VAL 66 HN VAL 66 2.326 -1.061 7.514 514 HA VAL 66 HA VAL 66 0.029 -0.327 9.283 515 HB VAL 66 HB VAL 66 -0.015 1.929 8.305 516 HG11 VAL 66 HG11 VAL 66 1.746 2.844 9.596 517 HG12 VAL 66 HG12 VAL 66 2.789 1.449 9.323 518 HG13 VAL 66 HG13 VAL 66 1.387 1.308 10.382 519 HG21 VAL 66 HG21 VAL 66 0.977 1.584 6.154 520 HG22 VAL 66 HG22 VAL 66 2.453 0.932 6.864 521 HG23 VAL 66 HG23 VAL 66 2.077 2.648 7.031 522 H ARG 67 HN ARG 67 -1.907 0.220 8.060 523 HA ARG 67 HA ARG 67 -2.000 -1.078 5.357 524 HB2 ARG 67 HB2 ARG 67 -3.232 -2.319 7.139 525 HB3 ARG 67 HB1 ARG 67 -4.213 -0.881 7.416 526 HG2 ARG 67 HG2 ARG 67 -5.013 -0.953 5.095 527 HG3 ARG 67 HG1 ARG 67 -4.001 -2.363 4.778 528 HD2 ARG 67 HD2 ARG 67 -6.151 -2.285 6.910 529 HD3 ARG 67 HD1 ARG 67 -6.406 -2.922 5.286 530 HE ARG 67 HE ARG 67 -4.120 -4.204 6.387 531 HH11 ARG 67 HH21 ARG 67 -7.526 -3.909 6.830 532 HH12 ARG 67 HH22 ARG 67 -7.714 -5.505 7.473 533 HH21 ARG 67 HH11 ARG 67 -4.346 -6.290 7.221 534 HH22 ARG 67 HH12 ARG 67 -5.913 -6.854 7.696 535 H ILE 68 HN ILE 68 -2.619 0.240 3.731 536 HA ILE 68 HA ILE 68 -3.758 2.923 4.436 537 HB ILE 68 HB ILE 68 -2.371 1.994 1.899 538 HG12 ILE 68 HG12 ILE 68 -1.346 3.842 4.075 539 HG13 ILE 68 HG11 ILE 68 -0.940 2.127 3.989 540 HG21 ILE 68 HG21 ILE 68 -2.316 4.415 1.383 541 HG22 ILE 68 HG22 ILE 68 -3.238 4.745 2.848 542 HG23 ILE 68 HG23 ILE 68 -3.973 3.834 1.531 543 HD11 ILE 68 HD11 ILE 68 0.021 2.451 1.749 544 HD12 ILE 68 HD12 ILE 68 0.800 3.523 2.913 545 HD13 ILE 68 HD13 ILE 68 -0.412 4.160 1.801 546 H ASP 69 HN ASP 69 -5.841 3.276 3.919 547 HA ASP 69 HA ASP 69 -7.200 1.392 2.022 548 HB2 ASP 69 HB2 ASP 69 -8.252 3.032 4.339 549 HB3 ASP 69 HB1 ASP 69 -9.293 2.178 3.201 550 H ASN 70 HN ASN 70 -8.334 2.207 0.314 551 HA ASN 70 HA ASN 70 -8.998 3.726 -1.328 552 HB2 ASN 70 HB2 ASN 70 -10.192 4.701 0.746 553 HB3 ASN 70 HB1 ASN 70 -8.892 5.889 0.776 554 HD21 ASN 70 HD21 ASN 70 -10.424 7.617 0.200 555 HD22 ASN 70 HD22 ASN 70 -11.018 7.756 -1.384 556 H ALA 71 HN ALA 71 -6.247 3.175 -1.054 557 HA ALA 71 HA ALA 71 -4.665 5.593 -1.063 558 HB1 ALA 71 HB1 ALA 71 -2.842 4.201 -1.626 559 HB2 ALA 71 HB2 ALA 71 -3.868 3.034 -2.460 560 HB3 ALA 71 HB3 ALA 71 -3.892 3.131 -0.699 561 H ARG 72 HN ARG 72 -3.856 6.731 -2.882 562 HA ARG 72 HA ARG 72 -5.445 6.352 -5.387 563 HB2 ARG 72 HB2 ARG 72 -5.558 8.576 -4.293 564 HB3 ARG 72 HB1 ARG 72 -3.810 8.732 -4.465 565 HG2 ARG 72 HG2 ARG 72 -3.970 8.685 -6.875 566 HG3 ARG 72 HG1 ARG 72 -5.690 8.295 -6.802 567 HD2 ARG 72 HD2 ARG 72 -4.498 10.833 -5.657 568 HD3 ARG 72 HD1 ARG 72 -5.207 10.728 -7.268 569 HE ARG 72 HE ARG 72 -7.111 9.714 -5.426 570 HH11 ARG 72 HH21 ARG 72 -5.445 12.620 -6.234 571 HH12 ARG 72 HH22 ARG 72 -6.726 13.659 -5.705 572 HH21 ARG 72 HH11 ARG 72 -8.792 11.050 -4.732 573 HH22 ARG 72 HH12 ARG 72 -8.623 12.769 -4.855 574 H VAL 73 HN VAL 73 -4.432 5.513 -7.117 575 HA VAL 73 HA VAL 73 -1.521 5.069 -7.042 576 HB VAL 73 HB VAL 73 -3.481 4.352 -9.239 577 HG11 VAL 73 HG11 VAL 73 -1.185 4.202 -9.965 578 HG12 VAL 73 HG12 VAL 73 -1.743 2.562 -9.642 579 HG13 VAL 73 HG13 VAL 73 -0.711 3.388 -8.474 580 HG21 VAL 73 HG21 VAL 73 -4.318 3.313 -7.248 581 HG22 VAL 73 HG22 VAL 73 -2.694 2.892 -6.706 582 HG23 VAL 73 HG23 VAL 73 -3.399 2.070 -8.096 583 H ALA 74 HN ALA 74 -0.051 6.260 -8.173 584 HA ALA 74 HA ALA 74 -0.964 7.985 -10.416 585 HB1 ALA 74 HB1 ALA 74 0.385 8.953 -7.885 586 HB2 ALA 74 HB2 ALA 74 -1.107 9.546 -8.614 587 HB3 ALA 74 HB3 ALA 74 0.442 9.870 -9.391 588 H GLN 75 HN GLN 75 0.783 8.580 -11.831 589 HA GLN 75 HA GLN 75 3.208 6.847 -11.522 590 HB2 GLN 75 HB2 GLN 75 1.815 6.455 -13.539 591 HB3 GLN 75 HB1 GLN 75 2.053 8.138 -14.009 592 HG2 GLN 75 HG2 GLN 75 4.468 7.790 -14.168 593 HG3 GLN 75 HG1 GLN 75 4.288 6.129 -13.601 594 HE21 GLN 75 HE21 GLN 75 4.292 4.645 -15.285 595 HE22 GLN 75 HE22 GLN 75 3.717 4.942 -16.854 596 H PHE 76 HN PHE 76 5.037 7.867 -10.987 597 HA PHE 76 HA PHE 76 5.413 10.730 -11.807 598 HB2 PHE 76 HB2 PHE 76 6.031 9.377 -9.169 599 HB3 PHE 76 HB1 PHE 76 6.800 10.890 -9.653 600 HD1 PHE 76 HD1 PHE 76 5.232 12.809 -10.430 601 HD2 PHE 76 HD2 PHE 76 3.904 9.429 -8.135 602 HE1 PHE 76 HE1 PHE 76 3.223 14.079 -9.725 603 HE2 PHE 76 HE2 PHE 76 1.893 10.701 -7.429 604 HZ PHE 76 HZ PHE 76 1.554 13.025 -8.226 605 H ASN 77 HN ASN 77 7.384 11.198 -12.695 606 HA ASN 77 HA ASN 77 9.429 10.781 -13.755 607 HB2 ASN 77 HB2 ASN 77 10.182 10.593 -11.392 608 HB3 ASN 77 HB1 ASN 77 9.823 8.872 -11.430 609 HD21 ASN 77 HD21 ASN 77 12.026 8.144 -11.242 610 HD22 ASN 77 HD22 ASN 77 13.183 8.417 -12.455 611 H GLY 78 HN GLY 78 7.011 9.029 -14.265 612 HA2 GLY 78 HA2 GLY 78 6.634 7.343 -15.877 613 HA3 GLY 78 HA1 GLY 78 8.379 7.129 -16.009 614 H TYR 79 HN TYR 79 7.434 7.043 -12.780 615 HA TYR 79 HA TYR 79 7.351 4.039 -12.793 616 HB2 TYR 79 HB2 TYR 79 8.608 5.953 -10.810 617 HB3 TYR 79 HB1 TYR 79 8.409 4.223 -10.519 618 HD1 TYR 79 HD1 TYR 79 9.431 2.580 -12.183 619 HD2 TYR 79 HD2 TYR 79 10.411 6.757 -12.130 620 HE1 TYR 79 HE1 TYR 79 11.480 2.117 -13.500 621 HE2 TYR 79 HE2 TYR 79 12.459 6.301 -13.443 622 HH TYR 79 HH TYR 79 13.691 3.172 -13.891 623 H LEU 80 HN LEU 80 5.757 3.069 -11.631 624 HA LEU 80 HA LEU 80 3.474 4.672 -10.835 625 HB2 LEU 80 HB2 LEU 80 4.018 1.718 -10.440 626 HB3 LEU 80 HB1 LEU 80 2.452 2.511 -10.279 627 HG LEU 80 HG LEU 80 4.113 2.458 -12.818 628 HD11 LEU 80 HD11 LEU 80 2.205 0.966 -13.599 629 HD12 LEU 80 HD12 LEU 80 1.713 0.850 -11.910 630 HD13 LEU 80 HD13 LEU 80 3.290 0.242 -12.413 631 HD21 LEU 80 HD21 LEU 80 2.787 4.377 -13.028 632 HD22 LEU 80 HD22 LEU 80 1.481 3.714 -12.044 633 HD23 LEU 80 HD23 LEU 80 1.711 3.155 -13.701 634 H SER 81 HN SER 81 2.682 5.036 -8.769 635 HA SER 81 HA SER 81 4.063 3.943 -6.422 636 HB2 SER 81 HB2 SER 81 4.490 6.258 -5.499 637 HB3 SER 81 HB1 SER 81 5.530 5.810 -6.848 638 HG SER 81 HG SER 81 4.759 7.784 -7.371 639 H LEU 82 HN LEU 82 2.905 4.540 -4.415 640 HA LEU 82 HA LEU 82 0.005 5.054 -4.963 641 HB2 LEU 82 HB2 LEU 82 1.324 3.809 -2.529 642 HB3 LEU 82 HB1 LEU 82 -0.407 3.911 -2.844 643 HG LEU 82 HG LEU 82 1.599 2.419 -4.564 644 HD11 LEU 82 HD11 LEU 82 1.051 1.466 -2.255 645 HD12 LEU 82 HD12 LEU 82 0.718 0.406 -3.624 646 HD13 LEU 82 HD13 LEU 82 -0.602 1.268 -2.835 647 HD21 LEU 82 HD21 LEU 82 -1.362 2.959 -4.782 648 HD22 LEU 82 HD22 LEU 82 -0.701 1.457 -5.431 649 HD23 LEU 82 HD23 LEU 82 -0.128 3.005 -6.043 650 H SER 83 HN SER 83 -0.824 6.947 -4.305 651 HA SER 83 HA SER 83 0.731 8.622 -2.364 652 HB2 SER 83 HB2 SER 83 -0.659 10.495 -3.367 653 HB3 SER 83 HB1 SER 83 0.485 9.744 -4.476 654 HG SER 83 HG SER 83 -1.879 8.429 -4.443 655 H VAL 84 HN VAL 84 -0.234 9.174 -0.456 656 HA VAL 84 HA VAL 84 -3.015 8.191 0.027 657 HB VAL 84 HB VAL 84 -1.012 9.181 2.072 658 HG11 VAL 84 HG11 VAL 84 -3.525 7.496 2.200 659 HG12 VAL 84 HG12 VAL 84 -3.252 9.077 2.935 660 HG13 VAL 84 HG13 VAL 84 -2.396 7.662 3.543 661 HG21 VAL 84 HG21 VAL 84 -1.362 6.459 0.809 662 HG22 VAL 84 HG22 VAL 84 -0.681 6.637 2.426 663 HG23 VAL 84 HG23 VAL 84 0.126 7.373 1.042 664 H GLY 85 HN GLY 85 -4.534 9.726 -0.282 665 HA2 GLY 85 HA2 GLY 85 -3.853 12.585 -0.060 666 HA3 GLY 85 HA1 GLY 85 -5.378 11.923 -0.641 667 H ASP 86 HN ASP 86 -5.700 13.952 0.994 668 HA ASP 86 HA ASP 86 -5.706 13.369 3.810 669 HB2 ASP 86 HB2 ASP 86 -7.228 15.341 3.951 670 HB3 ASP 86 HB1 ASP 86 -5.786 15.670 2.991 671 H SER 87 HN SER 87 -7.887 12.593 1.208 672 HA SER 87 HA SER 87 -10.141 11.982 2.997 673 HB2 SER 87 HB2 SER 87 -9.716 11.442 0.041 674 HB3 SER 87 HB1 SER 87 -11.215 11.131 0.912 675 HG SER 87 HG SER 87 -9.949 13.661 0.927 676 H SER 88 HN SER 88 -7.279 10.441 2.180 677 HA SER 88 HA SER 88 -8.320 7.705 2.114 678 HB2 SER 88 HB2 SER 88 -6.270 8.230 0.889 679 HB3 SER 88 HB1 SER 88 -5.498 8.782 2.372 680 HG SER 88 HG SER 88 -6.044 6.558 3.146 681 H ARG 89 HN ARG 89 -7.324 6.095 3.744 682 HA ARG 89 HA ARG 89 -7.194 7.304 6.495 683 HB2 ARG 89 HB2 ARG 89 -8.825 4.922 5.576 684 HB3 ARG 89 HB1 ARG 89 -8.511 5.291 7.270 685 HG2 ARG 89 HG2 ARG 89 -9.610 7.449 7.058 686 HG3 ARG 89 HG1 ARG 89 -9.807 7.218 5.320 687 HD2 ARG 89 HD2 ARG 89 -11.907 6.693 6.468 688 HD3 ARG 89 HD1 ARG 89 -11.222 5.226 5.769 689 HE ARG 89 HE ARG 89 -10.781 4.416 7.963 690 HH11 ARG 89 HH21 ARG 89 -11.779 7.721 7.927 691 HH12 ARG 89 HH22 ARG 89 -12.056 7.790 9.635 692 HH21 ARG 89 HH11 ARG 89 -11.135 4.495 10.187 693 HH22 ARG 89 HH12 ARG 89 -11.691 5.966 10.914 694 H ILE 90 HN ILE 90 -5.715 6.359 7.856 695 HA ILE 90 HA ILE 90 -4.105 4.063 6.773 696 HB ILE 90 HB ILE 90 -3.199 6.452 8.409 697 HG12 ILE 90 HG12 ILE 90 -2.322 5.536 5.657 698 HG13 ILE 90 HG11 ILE 90 -3.578 6.746 5.913 699 HG21 ILE 90 HG21 ILE 90 -1.943 4.593 9.204 700 HG22 ILE 90 HG22 ILE 90 -0.911 5.359 7.998 701 HG23 ILE 90 HG23 ILE 90 -1.806 3.896 7.589 702 HD11 ILE 90 HD11 ILE 90 -1.168 7.601 5.542 703 HD12 ILE 90 HD12 ILE 90 -0.851 7.029 7.180 704 HD13 ILE 90 HD13 ILE 90 -2.066 8.276 6.899 705 H GLU 91 HN GLU 91 -3.999 2.322 8.081 706 HA GLU 91 HA GLU 91 -4.810 2.623 10.959 707 HB2 GLU 91 HB2 GLU 91 -5.387 0.388 8.996 708 HB3 GLU 91 HB1 GLU 91 -5.651 0.254 10.736 709 HG2 GLU 91 HG2 GLU 91 -7.198 2.143 10.685 710 HG3 GLU 91 HG1 GLU 91 -6.881 2.390 8.968 711 H SER 92 HN SER 92 -3.157 2.201 12.278 712 HA SER 92 HA SER 92 -0.717 0.950 11.325 713 HB2 SER 92 HB2 SER 92 -1.469 1.548 14.195 714 HB3 SER 92 HB1 SER 92 0.151 1.381 13.524 715 HG SER 92 HG SER 92 -0.523 3.579 13.773 716 H VAL 93 HN VAL 93 0.124 -1.071 11.924 717 HA VAL 93 HA VAL 93 -1.670 -2.925 13.436 718 HB VAL 93 HB VAL 93 -0.246 -3.704 10.876 719 HG11 VAL 93 HG11 VAL 93 -2.539 -5.057 12.319 720 HG12 VAL 93 HG12 VAL 93 -0.852 -5.434 12.664 721 HG13 VAL 93 HG13 VAL 93 -1.509 -5.728 11.055 722 HG21 VAL 93 HG21 VAL 93 -1.971 -2.047 10.341 723 HG22 VAL 93 HG22 VAL 93 -3.146 -2.923 11.323 724 HG23 VAL 93 HG23 VAL 93 -2.517 -3.649 9.845 725 H ASN 94 HN ASN 94 0.261 -1.950 14.849 726 HA ASN 94 HA ASN 94 2.762 -3.517 14.481 727 HB2 ASN 94 HB2 ASN 94 1.985 -1.276 16.367 728 HB3 ASN 94 HB1 ASN 94 3.534 -2.114 16.441 729 HD21 ASN 94 HD21 ASN 94 3.734 -2.417 13.476 730 HD22 ASN 94 HD22 ASN 94 4.084 -0.872 12.873 731 H VAL 95 HN VAL 95 -0.176 -4.056 15.850 732 HA VAL 95 HA VAL 95 0.977 -5.704 18.086 733 HB VAL 95 HB VAL 95 -1.681 -4.265 17.868 734 HG11 VAL 95 HG11 VAL 95 -2.001 -5.262 20.219 735 HG12 VAL 95 HG12 VAL 95 -0.733 -6.406 19.781 736 HG13 VAL 95 HG13 VAL 95 -2.233 -6.357 18.857 737 HG21 VAL 95 HG21 VAL 95 0.658 -4.085 19.792 738 HG22 VAL 95 HG22 VAL 95 -0.870 -3.232 19.999 739 HG23 VAL 95 HG23 VAL 95 0.164 -2.863 18.620 740 H ASN 96 HN ASN 96 0.631 -7.854 17.904 741 HA ASN 96 HA ASN 96 -1.192 -8.822 15.743 742 HB2 ASN 96 HB2 ASN 96 0.041 -10.941 15.942 743 HB3 ASN 96 HB1 ASN 96 1.155 -9.602 15.668 744 HD21 ASN 96 HD21 ASN 96 2.706 -11.279 16.732 745 HD22 ASN 96 HD22 ASN 96 2.814 -11.251 18.427 746 H ILE 97 HN ILE 97 -2.601 -7.928 17.875 747 HA ILE 97 HA ILE 97 -3.655 -10.451 19.052 748 HB ILE 97 HB ILE 97 -3.182 -7.977 20.733 749 HG12 ILE 97 HG12 ILE 97 -1.510 -10.491 20.429 750 HG13 ILE 97 HG11 ILE 97 -1.001 -8.834 20.109 751 HG21 ILE 97 HG21 ILE 97 -4.994 -9.722 21.299 752 HG22 ILE 97 HG22 ILE 97 -3.822 -9.358 22.564 753 HG23 ILE 97 HG23 ILE 97 -3.661 -10.833 21.611 754 HD11 ILE 97 HD11 ILE 97 -1.610 -10.117 22.773 755 HD12 ILE 97 HD12 ILE 97 -1.568 -8.365 22.577 756 HD13 ILE 97 HD13 ILE 97 -0.123 -9.324 22.258 757 HA PRO 98 HA PRO 98 -6.912 -7.432 17.637 758 HB2 PRO 98 HB2 PRO 98 -8.008 -8.906 15.644 759 HB3 PRO 98 HB1 PRO 98 -6.544 -7.934 15.391 760 HG2 PRO 98 HG2 PRO 98 -6.810 -10.875 15.824 761 HG3 PRO 98 HG1 PRO 98 -5.722 -9.991 14.738 762 HD2 PRO 98 HD2 PRO 98 -4.977 -11.005 17.226 763 HD3 PRO 98 HD1 PRO 98 -4.131 -9.685 16.389 764 H LEU 99 HN LEU 99 -6.715 -10.402 19.098 765 HA LEU 99 HA LEU 99 -9.478 -11.239 19.109 766 HB2 LEU 99 HB2 LEU 99 -7.288 -11.847 21.118 767 HB3 LEU 99 HB1 LEU 99 -8.776 -12.762 20.884 768 HG LEU 99 HG LEU 99 -6.606 -12.388 18.796 769 HD11 LEU 99 HD11 LEU 99 -7.394 -14.876 20.340 770 HD12 LEU 99 HD12 LEU 99 -6.015 -13.857 20.753 771 HD13 LEU 99 HD13 LEU 99 -6.051 -14.709 19.210 772 HD21 LEU 99 HD21 LEU 99 -8.013 -14.365 17.773 773 HD22 LEU 99 HD22 LEU 99 -8.581 -12.711 17.562 774 HD23 LEU 99 HD23 LEU 99 -9.305 -13.740 18.798 775 H GLU 100 HN GLU 100 -11.039 -10.931 20.712 776 HA GLU 100 HA GLU 100 -12.220 -9.740 22.338 777 HB2 GLU 100 HB2 GLU 100 -10.304 -10.775 23.703 778 HB3 GLU 100 HB1 GLU 100 -9.542 -9.187 23.626 779 HG2 GLU 100 HG2 GLU 100 -10.784 -9.191 25.664 780 HG3 GLU 100 HG1 GLU 100 -11.756 -8.250 24.534 781 H HIS 101 HN HIS 101 -10.205 -7.529 23.639 782 HA HIS 101 HA HIS 101 -10.230 -5.181 23.476 783 HB2 HIS 101 HB2 HIS 101 -9.514 -5.987 20.641 784 HB3 HIS 101 HB1 HIS 101 -9.329 -4.360 21.295 785 HD1 HIS 101 HD1 HIS 101 -6.741 -5.494 20.475 786 HD2 HIS 101 HD2 HIS 101 -8.360 -6.380 24.214 787 HE1 HIS 101 HE1 HIS 101 -4.812 -6.254 21.931 788 H HIS 102 HN HIS 102 -11.180 -5.380 20.123 789 HA HIS 102 HA HIS 102 -14.026 -4.943 20.714 790 HB2 HIS 102 HB2 HIS 102 -14.100 -2.737 19.593 791 HB3 HIS 102 HB1 HIS 102 -13.100 -2.686 21.044 792 HD1 HIS 102 HD1 HIS 102 -10.428 -2.942 20.588 793 HD2 HIS 102 HD2 HIS 102 -12.773 -1.949 17.287 794 HE1 HIS 102 HE1 HIS 102 -8.846 -2.021 18.836 795 H HIS 103 HN HIS 103 -15.327 -5.067 18.778 796 HA HIS 103 HA HIS 103 -13.941 -6.507 16.574 797 HB2 HIS 103 HB2 HIS 103 -16.305 -7.038 15.862 798 HB3 HIS 103 HB1 HIS 103 -15.865 -7.658 17.452 799 HD1 HIS 103 HD1 HIS 103 -18.068 -5.172 15.749 800 HD2 HIS 103 HD2 HIS 103 -17.098 -6.271 19.652 801 HE1 HIS 103 HE1 HIS 103 -19.791 -4.080 17.250 802 H HIS 104 HN HIS 104 -13.443 -5.431 14.764 803 HA HIS 104 HA HIS 104 -14.204 -2.705 14.288 804 HB2 HIS 104 HB2 HIS 104 -12.133 -3.715 13.378 805 HB3 HIS 104 HB1 HIS 104 -13.104 -4.758 12.341 806 HD1 HIS 104 HD1 HIS 104 -12.646 -1.021 12.994 807 HD2 HIS 104 HD2 HIS 104 -13.677 -3.611 9.893 808 HE1 HIS 104 HE1 HIS 104 -12.876 0.406 10.914 809 H HIS 105 HN HIS 105 -15.360 -5.792 12.948 810 HA HIS 105 HA HIS 105 -17.262 -4.511 11.161 811 HB2 HIS 105 HB2 HIS 105 -17.036 -7.379 12.120 812 HB3 HIS 105 HB1 HIS 105 -18.117 -6.828 10.840 813 HD1 HIS 105 HD1 HIS 105 -16.918 -5.743 8.692 814 HD2 HIS 105 HD2 HIS 105 -14.404 -7.816 11.293 815 HE1 HIS 105 HE1 HIS 105 -14.769 -6.170 7.423 816 H HIS 106 HN HIS 106 -19.465 -4.250 11.453 817 HA HIS 106 HA HIS 106 -20.495 -3.623 13.976 818 HB2 HIS 106 HB2 HIS 106 -22.015 -4.672 11.567 819 HB3 HIS 106 HB1 HIS 106 -22.736 -3.822 12.934 820 HD1 HIS 106 HD1 HIS 106 -21.806 -1.310 13.337 821 HD2 HIS 106 HD2 HIS 106 -20.966 -2.991 9.615 822 HE1 HIS 106 HE1 HIS 106 -21.137 0.604 11.822 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 -13.957 -0.516 -3.744 2 H2 SER 1 HT2 SER 1 -13.926 0.786 -2.655 3 H3 SER 1 HT3 SER 1 -14.343 -0.768 -2.112 4 HA SER 1 HA SER 1 -11.690 -0.104 -3.260 5 HB2 SER 1 HB2 SER 1 -10.857 0.084 -1.008 6 HB3 SER 1 HB1 SER 1 -12.240 1.168 -1.138 7 HG SER 1 HG SER 1 -13.507 -0.452 -0.169 8 H ASP 2 HN ASP 2 -10.127 -1.799 -2.177 9 HA ASP 2 HA ASP 2 -11.173 -4.334 -1.342 10 HB2 ASP 2 HB2 ASP 2 -10.684 -5.648 -3.380 11 HB3 ASP 2 HB1 ASP 2 -11.971 -4.481 -3.666 12 H LEU 3 HN LEU 3 -9.454 -5.915 -1.069 13 HA LEU 3 HA LEU 3 -6.873 -4.618 -0.575 14 HB2 LEU 3 HB2 LEU 3 -8.073 -7.320 0.013 15 HB3 LEU 3 HB1 LEU 3 -6.350 -7.044 0.245 16 HG LEU 3 HG LEU 3 -7.742 -6.660 2.311 17 HD11 LEU 3 HD11 LEU 3 -5.514 -5.346 1.556 18 HD12 LEU 3 HD12 LEU 3 -6.365 -4.973 3.047 19 HD13 LEU 3 HD13 LEU 3 -6.616 -3.970 1.624 20 HD21 LEU 3 HD21 LEU 3 -9.658 -5.657 0.931 21 HD22 LEU 3 HD22 LEU 3 -8.710 -4.170 0.889 22 HD23 LEU 3 HD23 LEU 3 -9.259 -4.820 2.432 23 H VAL 4 HN VAL 4 -5.125 -4.754 -1.861 24 HA VAL 4 HA VAL 4 -4.971 -6.930 -3.897 25 HB VAL 4 HB VAL 4 -4.226 -5.263 -5.585 26 HG11 VAL 4 HG11 VAL 4 -6.578 -6.030 -5.489 27 HG12 VAL 4 HG12 VAL 4 -6.472 -4.355 -6.034 28 HG13 VAL 4 HG13 VAL 4 -6.954 -4.714 -4.375 29 HG21 VAL 4 HG21 VAL 4 -4.596 -2.882 -5.159 30 HG22 VAL 4 HG22 VAL 4 -3.495 -3.523 -3.944 31 HG23 VAL 4 HG23 VAL 4 -5.187 -3.237 -3.536 32 H LYS 5 HN LYS 5 -2.771 -7.169 -4.753 33 HA LYS 5 HA LYS 5 -0.788 -6.792 -2.611 34 HB2 LYS 5 HB2 LYS 5 -0.929 -8.364 -5.172 35 HB3 LYS 5 HB1 LYS 5 0.638 -8.090 -4.413 36 HG2 LYS 5 HG2 LYS 5 -0.288 -10.205 -3.615 37 HG3 LYS 5 HG1 LYS 5 -0.264 -9.045 -2.290 38 HD2 LYS 5 HD2 LYS 5 -2.623 -8.588 -2.557 39 HD3 LYS 5 HD1 LYS 5 -2.692 -9.553 -4.032 40 HE2 LYS 5 HE2 LYS 5 -2.130 -11.571 -2.749 41 HE3 LYS 5 HE1 LYS 5 -2.011 -10.613 -1.273 42 HZ1 LYS 5 HZ1 LYS 5 -4.473 -10.164 -2.635 43 HZ2 LYS 5 HZ2 LYS 5 -4.201 -10.643 -1.028 44 HZ3 LYS 5 HZ3 LYS 5 -4.268 -11.806 -2.265 45 H ILE 6 HN ILE 6 1.403 -5.996 -3.182 46 HA ILE 6 HA ILE 6 1.310 -3.378 -4.309 47 HB ILE 6 HB ILE 6 3.759 -5.124 -3.944 48 HG12 ILE 6 HG12 ILE 6 2.494 -5.131 -1.867 49 HG13 ILE 6 HG11 ILE 6 3.877 -4.057 -1.678 50 HG21 ILE 6 HG21 ILE 6 4.862 -2.920 -3.567 51 HG22 ILE 6 HG22 ILE 6 3.342 -2.123 -3.973 52 HG23 ILE 6 HG23 ILE 6 4.192 -3.075 -5.190 53 HD11 ILE 6 HD11 ILE 6 0.965 -3.361 -1.964 54 HD12 ILE 6 HD12 ILE 6 2.188 -2.190 -2.454 55 HD13 ILE 6 HD13 ILE 6 2.140 -2.769 -0.790 56 H ARG 7 HN ARG 7 2.521 -6.462 -5.657 57 HA ARG 7 HA ARG 7 3.430 -5.311 -8.132 58 HB2 ARG 7 HB2 ARG 7 4.131 -7.556 -7.307 59 HB3 ARG 7 HB1 ARG 7 2.498 -8.150 -7.604 60 HG2 ARG 7 HG2 ARG 7 2.708 -7.660 -9.986 61 HG3 ARG 7 HG1 ARG 7 4.297 -6.939 -9.725 62 HD2 ARG 7 HD2 ARG 7 3.623 -9.821 -9.066 63 HD3 ARG 7 HD1 ARG 7 4.395 -9.307 -10.567 64 HE ARG 7 HE ARG 7 5.954 -8.221 -8.504 65 HH11 ARG 7 HH21 ARG 7 4.880 -11.324 -9.583 66 HH12 ARG 7 HH22 ARG 7 6.281 -12.155 -8.992 67 HH21 ARG 7 HH11 ARG 7 7.782 -9.295 -7.735 68 HH22 ARG 7 HH12 ARG 7 7.920 -11.008 -7.947 69 H ASP 8 HN ASP 8 0.298 -6.061 -6.920 70 HA ASP 8 HA ASP 8 -0.958 -6.265 -9.571 71 HB2 ASP 8 HB2 ASP 8 -2.077 -6.104 -6.758 72 HB3 ASP 8 HB1 ASP 8 -3.085 -6.232 -8.200 73 H VAL 9 HN VAL 9 0.286 -3.741 -7.809 74 HA VAL 9 HA VAL 9 -1.801 -1.775 -8.060 75 HB VAL 9 HB VAL 9 1.205 -1.506 -7.786 76 HG11 VAL 9 HG11 VAL 9 0.577 0.865 -7.060 77 HG12 VAL 9 HG12 VAL 9 -0.995 0.575 -7.805 78 HG13 VAL 9 HG13 VAL 9 0.468 0.540 -8.790 79 HG21 VAL 9 HG21 VAL 9 0.712 -1.068 -5.467 80 HG22 VAL 9 HG22 VAL 9 -0.166 -2.532 -5.913 81 HG23 VAL 9 HG23 VAL 9 -1.020 -0.994 -5.794 82 H SER 10 HN SER 10 -2.410 -0.589 -9.778 83 HA SER 10 HA SER 10 -0.624 0.010 -11.995 84 HB2 SER 10 HB2 SER 10 -1.244 -2.298 -12.589 85 HB3 SER 10 HB1 SER 10 -2.950 -1.884 -12.450 86 HG SER 10 HG SER 10 -2.771 -0.568 -14.202 87 H LEU 11 HN LEU 11 -1.722 1.428 -13.577 88 HA LEU 11 HA LEU 11 -3.496 3.299 -12.303 89 HB2 LEU 11 HB2 LEU 11 -3.051 3.004 -15.286 90 HB3 LEU 11 HB1 LEU 11 -3.473 4.470 -14.399 91 HG LEU 11 HG LEU 11 -0.869 2.932 -14.167 92 HD11 LEU 11 HD11 LEU 11 0.134 4.869 -15.228 93 HD12 LEU 11 HD12 LEU 11 -1.410 5.721 -15.225 94 HD13 LEU 11 HD13 LEU 11 -1.188 4.301 -16.247 95 HD21 LEU 11 HD21 LEU 11 -0.262 5.062 -12.814 96 HD22 LEU 11 HD22 LEU 11 -1.255 3.845 -12.020 97 HD23 LEU 11 HD23 LEU 11 -2.004 5.302 -12.673 98 H SER 12 HN SER 12 -4.076 0.264 -13.487 99 HA SER 12 HA SER 12 -6.529 0.505 -14.907 100 HB2 SER 12 HB2 SER 12 -5.446 -1.668 -13.101 101 HB3 SER 12 HB1 SER 12 -6.961 -1.831 -13.985 102 HG SER 12 HG SER 12 -5.751 -1.412 -15.903 103 H THR 13 HN THR 13 -5.792 0.487 -11.443 104 HA THR 13 HA THR 13 -8.695 0.965 -10.882 105 HB THR 13 HB THR 13 -8.279 0.084 -8.646 106 HG1 THR 13 HG1 THR 13 -5.886 0.776 -9.011 107 HG21 THR 13 HG21 THR 13 -7.139 -1.687 -10.823 108 HG22 THR 13 HG22 THR 13 -8.854 -1.476 -10.469 109 HG23 THR 13 HG23 THR 13 -7.797 -2.241 -9.283 110 HA PRO 14 HA PRO 14 -7.211 5.033 -9.642 111 HB2 PRO 14 HB2 PRO 14 -9.522 6.021 -8.564 112 HB3 PRO 14 HB1 PRO 14 -9.287 5.835 -10.312 113 HG2 PRO 14 HG2 PRO 14 -10.774 4.080 -8.408 114 HG3 PRO 14 HG1 PRO 14 -11.198 4.565 -10.060 115 HD2 PRO 14 HD2 PRO 14 -10.091 2.123 -9.439 116 HD3 PRO 14 HD1 PRO 14 -9.900 2.915 -11.021 117 H TYR 15 HN TYR 15 -9.380 3.456 -7.270 118 HA TYR 15 HA TYR 15 -7.462 4.239 -5.099 119 HB2 TYR 15 HB2 TYR 15 -10.477 3.976 -5.031 120 HB3 TYR 15 HB1 TYR 15 -9.467 4.210 -3.603 121 HD1 TYR 15 HD1 TYR 15 -8.023 6.271 -3.427 122 HD2 TYR 15 HD2 TYR 15 -11.010 5.800 -6.476 123 HE1 TYR 15 HE1 TYR 15 -7.965 8.712 -3.860 124 HE2 TYR 15 HE2 TYR 15 -10.954 8.241 -6.910 125 HH TYR 15 HH TYR 15 -8.642 10.183 -6.179 126 H VAL 16 HN VAL 16 -6.631 2.594 -3.941 127 HA VAL 16 HA VAL 16 -8.091 0.021 -3.756 128 HB VAL 16 HB VAL 16 -6.036 -1.233 -4.403 129 HG11 VAL 16 HG11 VAL 16 -6.424 -1.076 -6.743 130 HG12 VAL 16 HG12 VAL 16 -6.860 0.629 -6.635 131 HG13 VAL 16 HG13 VAL 16 -7.952 -0.602 -6.001 132 HG21 VAL 16 HG21 VAL 16 -4.338 0.445 -4.003 133 HG22 VAL 16 HG22 VAL 16 -5.093 1.550 -5.151 134 HG23 VAL 16 HG23 VAL 16 -4.322 0.072 -5.726 135 H SER 17 HN SER 17 -7.036 -1.428 -2.138 136 HA SER 17 HA SER 17 -5.704 0.186 0.015 137 HB2 SER 17 HB2 SER 17 -7.861 -0.686 0.705 138 HB3 SER 17 HB1 SER 17 -7.428 -2.303 0.155 139 HG SER 17 HG SER 17 -5.509 -1.466 1.763 140 H VAL 18 HN VAL 18 -3.761 -0.517 0.819 141 HA VAL 18 HA VAL 18 -2.710 -3.170 -0.098 142 HB VAL 18 HB VAL 18 -0.487 -2.076 -0.433 143 HG11 VAL 18 HG11 VAL 18 -2.073 -2.504 -2.315 144 HG12 VAL 18 HG12 VAL 18 -1.039 -1.104 -2.600 145 HG13 VAL 18 HG13 VAL 18 -2.715 -0.876 -2.104 146 HG21 VAL 18 HG21 VAL 18 -0.973 -0.084 1.014 147 HG22 VAL 18 HG22 VAL 18 -2.090 0.496 -0.221 148 HG23 VAL 18 HG23 VAL 18 -0.370 0.358 -0.581 149 H ILE 19 HN ILE 19 -0.929 -3.952 1.261 150 HA ILE 19 HA ILE 19 -0.668 -2.645 3.914 151 HB ILE 19 HB ILE 19 -2.522 -4.279 4.128 152 HG12 ILE 19 HG12 ILE 19 -0.003 -5.284 5.476 153 HG13 ILE 19 HG11 ILE 19 -0.851 -3.821 5.976 154 HG21 ILE 19 HG21 ILE 19 -2.152 -6.632 3.768 155 HG22 ILE 19 HG22 ILE 19 -0.438 -6.366 3.444 156 HG23 ILE 19 HG23 ILE 19 -1.652 -5.790 2.300 157 HD11 ILE 19 HD11 ILE 19 -1.540 -5.799 7.314 158 HD12 ILE 19 HD12 ILE 19 -2.097 -6.581 5.834 159 HD13 ILE 19 HD13 ILE 19 -2.887 -5.110 6.405 160 H GLY 20 HN GLY 20 1.361 -2.871 4.771 161 HA2 GLY 20 HA2 GLY 20 3.129 -5.045 4.271 162 HA3 GLY 20 HA1 GLY 20 3.482 -3.787 3.086 163 H LYS 21 HN LYS 21 5.595 -3.690 4.206 164 HA LYS 21 HA LYS 21 5.503 -2.178 6.791 165 HB2 LYS 21 HB2 LYS 21 6.742 -4.319 6.865 166 HB3 LYS 21 HB1 LYS 21 7.780 -3.746 5.560 167 HG2 LYS 21 HG2 LYS 21 8.571 -1.897 6.950 168 HG3 LYS 21 HG1 LYS 21 7.464 -2.365 8.241 169 HD2 LYS 21 HD2 LYS 21 8.615 -4.542 8.435 170 HD3 LYS 21 HD1 LYS 21 9.733 -4.061 7.158 171 HE2 LYS 21 HE2 LYS 21 10.534 -2.195 8.520 172 HE3 LYS 21 HE1 LYS 21 9.369 -2.589 9.785 173 HZ1 LYS 21 HZ1 LYS 21 11.321 -3.595 10.486 174 HZ2 LYS 21 HZ2 LYS 21 11.749 -4.109 8.924 175 HZ3 LYS 21 HZ3 LYS 21 10.479 -4.873 9.755 176 H ILE 22 HN ILE 22 6.114 -0.104 6.765 177 HA ILE 22 HA ILE 22 7.306 0.985 4.249 178 HB ILE 22 HB ILE 22 5.951 2.371 6.579 179 HG12 ILE 22 HG12 ILE 22 5.005 1.976 3.725 180 HG13 ILE 22 HG11 ILE 22 4.510 0.944 5.067 181 HG21 ILE 22 HG21 ILE 22 5.978 4.324 4.971 182 HG22 ILE 22 HG22 ILE 22 7.089 3.393 3.966 183 HG23 ILE 22 HG23 ILE 22 7.561 3.868 5.595 184 HD11 ILE 22 HD11 ILE 22 2.811 2.634 4.790 185 HD12 ILE 22 HD12 ILE 22 4.021 3.918 4.772 186 HD13 ILE 22 HD13 ILE 22 3.710 3.021 6.258 187 H THR 23 HN THR 23 9.361 1.725 4.229 188 HA THR 23 HA THR 23 10.677 2.509 6.769 189 HB THR 23 HB THR 23 11.972 0.544 4.867 190 HG1 THR 23 HG1 THR 23 11.579 -0.922 6.650 191 HG21 THR 23 HG21 THR 23 13.507 0.266 6.841 192 HG22 THR 23 HG22 THR 23 12.668 1.610 7.614 193 HG23 THR 23 HG23 THR 23 13.559 1.873 6.115 194 H GLY 24 HN GLY 24 12.535 3.839 6.446 195 HA2 GLY 24 HA2 GLY 24 13.984 5.266 5.244 196 HA3 GLY 24 HA1 GLY 24 13.368 4.577 3.742 197 H ILE 25 HN ILE 25 12.174 6.596 6.452 198 HA ILE 25 HA ILE 25 10.234 7.902 4.684 199 HB ILE 25 HB ILE 25 11.045 8.690 7.492 200 HG12 ILE 25 HG12 ILE 25 10.390 6.362 7.537 201 HG13 ILE 25 HG11 ILE 25 9.054 7.314 8.175 202 HG21 ILE 25 HG21 ILE 25 8.778 9.663 7.550 203 HG22 ILE 25 HG22 ILE 25 8.519 9.152 5.881 204 HG23 ILE 25 HG23 ILE 25 9.741 10.368 6.251 205 HD11 ILE 25 HD11 ILE 25 9.280 5.905 5.529 206 HD12 ILE 25 HD12 ILE 25 8.208 7.297 5.682 207 HD13 ILE 25 HD13 ILE 25 7.959 5.878 6.695 208 H HIS 26 HN HIS 26 10.583 9.713 3.544 209 HA HIS 26 HA HIS 26 12.977 11.406 4.195 210 HB2 HIS 26 HB2 HIS 26 11.856 10.637 1.484 211 HB3 HIS 26 HB1 HIS 26 13.121 11.842 1.736 212 HD1 HIS 26 HD1 HIS 26 12.473 8.147 1.894 213 HD2 HIS 26 HD2 HIS 26 15.649 10.775 2.510 214 HE1 HIS 26 HE1 HIS 26 14.559 6.720 2.078 215 H LYS 27 HN LYS 27 12.523 13.540 4.456 216 HA LYS 27 HA LYS 27 9.708 14.410 4.086 217 HB2 LYS 27 HB2 LYS 27 10.862 14.847 6.245 218 HB3 LYS 27 HB1 LYS 27 12.040 15.845 5.389 219 HG2 LYS 27 HG2 LYS 27 10.262 17.359 4.647 220 HG3 LYS 27 HG1 LYS 27 9.047 16.339 5.418 221 HD2 LYS 27 HD2 LYS 27 10.100 16.755 7.615 222 HD3 LYS 27 HD1 LYS 27 11.300 17.790 6.838 223 HE2 LYS 27 HE2 LYS 27 9.521 19.295 6.058 224 HE3 LYS 27 HE1 LYS 27 8.303 18.253 6.793 225 HZ1 LYS 27 HZ1 LYS 27 10.516 19.413 8.372 226 HZ2 LYS 27 HZ2 LYS 27 9.046 18.768 8.927 227 HZ3 LYS 27 HZ3 LYS 27 9.070 20.260 8.115 228 H LYS 28 HN LYS 28 9.102 15.835 2.538 229 HA LYS 28 HA LYS 28 11.156 17.457 1.133 230 HB2 LYS 28 HB2 LYS 28 10.761 15.209 -0.065 231 HB3 LYS 28 HB1 LYS 28 9.150 15.826 -0.432 232 HG2 LYS 28 HG2 LYS 28 10.093 17.745 -1.592 233 HG3 LYS 28 HG1 LYS 28 11.723 17.276 -1.115 234 HD2 LYS 28 HD2 LYS 28 11.439 16.522 -3.373 235 HD3 LYS 28 HD1 LYS 28 11.351 15.092 -2.347 236 HE2 LYS 28 HE2 LYS 28 8.993 14.943 -2.565 237 HE3 LYS 28 HE1 LYS 28 8.860 16.592 -3.175 238 HZ1 LYS 28 HZ1 LYS 28 8.662 14.914 -4.927 239 HZ2 LYS 28 HZ2 LYS 28 10.231 14.364 -4.577 240 HZ3 LYS 28 HZ3 LYS 28 9.992 15.937 -5.173 241 H GLU 29 HN GLU 29 10.172 19.206 -0.105 242 HA GLU 29 HA GLU 29 7.354 19.837 0.729 243 HB2 GLU 29 HB2 GLU 29 9.768 21.655 0.543 244 HB3 GLU 29 HB1 GLU 29 8.112 22.240 0.719 245 HG2 GLU 29 HG2 GLU 29 7.860 21.002 2.810 246 HG3 GLU 29 HG1 GLU 29 9.474 20.316 2.626 247 H TYR 30 HN TYR 30 6.044 20.762 -0.846 248 HA TYR 30 HA TYR 30 7.237 21.328 -3.518 249 HB2 TYR 30 HB2 TYR 30 5.635 19.916 -4.658 250 HB3 TYR 30 HB1 TYR 30 6.469 18.931 -3.458 251 HD1 TYR 30 HD1 TYR 30 5.325 18.864 -1.055 252 HD2 TYR 30 HD2 TYR 30 3.294 19.875 -4.707 253 HE1 TYR 30 HE1 TYR 30 3.150 18.307 -0.005 254 HE2 TYR 30 HE2 TYR 30 1.123 19.311 -3.653 255 HH TYR 30 HH TYR 30 0.172 19.166 -1.370 256 H GLU 31 HN GLU 31 5.715 22.524 -4.906 257 HA GLU 31 HA GLU 31 4.215 24.481 -3.341 258 HB2 GLU 31 HB2 GLU 31 5.583 25.080 -5.350 259 HB3 GLU 31 HB1 GLU 31 4.445 24.182 -6.351 260 HG2 GLU 31 HG2 GLU 31 3.808 26.503 -6.446 261 HG3 GLU 31 HG1 GLU 31 2.611 25.679 -5.451 262 H SER 32 HN SER 32 1.971 24.847 -3.459 263 HA SER 32 HA SER 32 0.289 22.891 -4.933 264 HB2 SER 32 HB2 SER 32 -0.008 23.414 -1.961 265 HB3 SER 32 HB1 SER 32 -1.026 22.364 -2.943 266 HG SER 32 HG SER 32 1.780 22.054 -2.659 267 H ASP 33 HN ASP 33 -2.049 23.803 -3.349 268 HA ASP 33 HA ASP 33 -2.984 25.892 -4.951 269 HB2 ASP 33 HB2 ASP 33 -3.720 25.097 -2.126 270 HB3 ASP 33 HB1 ASP 33 -4.607 26.326 -3.030 271 H GLY 34 HN GLY 34 -1.215 27.373 -5.133 272 HA2 GLY 34 HA2 GLY 34 0.044 29.269 -4.561 273 HA3 GLY 34 HA1 GLY 34 -1.436 29.772 -3.744 274 H THR 35 HN THR 35 0.035 26.835 -2.640 275 HA THR 35 HA THR 35 1.537 28.249 -0.500 276 HB THR 35 HB THR 35 -0.818 28.010 0.315 277 HG1 THR 35 HG1 THR 35 -0.177 27.110 2.274 278 HG21 THR 35 HG21 THR 35 -1.126 25.803 -0.979 279 HG22 THR 35 HG22 THR 35 -1.803 25.879 0.648 280 HG23 THR 35 HG23 THR 35 -0.277 25.040 0.366 281 H THR 36 HN THR 36 3.054 26.902 0.564 282 HA THR 36 HA THR 36 3.826 24.509 -0.996 283 HB THR 36 HB THR 36 5.188 26.027 1.249 284 HG1 THR 36 HG1 THR 36 6.424 25.741 -1.159 285 HG21 THR 36 HG21 THR 36 5.951 23.807 1.527 286 HG22 THR 36 HG22 THR 36 7.170 24.547 0.489 287 HG23 THR 36 HG23 THR 36 5.940 23.493 -0.208 288 H LYS 37 HN LYS 37 3.479 22.462 -0.284 289 HA LYS 37 HA LYS 37 2.532 22.075 2.545 290 HB2 LYS 37 HB2 LYS 37 1.711 20.681 -0.012 291 HB3 LYS 37 HB1 LYS 37 1.272 20.108 1.599 292 HG2 LYS 37 HG2 LYS 37 0.166 22.255 2.070 293 HG3 LYS 37 HG1 LYS 37 0.620 22.847 0.472 294 HD2 LYS 37 HD2 LYS 37 -0.693 21.053 -0.580 295 HD3 LYS 37 HD1 LYS 37 -1.133 20.431 1.011 296 HE2 LYS 37 HE2 LYS 37 -2.245 22.569 1.543 297 HE3 LYS 37 HE1 LYS 37 -1.806 23.193 -0.047 298 HZ1 LYS 37 HZ1 LYS 37 -3.364 21.954 -1.067 299 HZ2 LYS 37 HZ2 LYS 37 -4.108 21.976 0.461 300 HZ3 LYS 37 HZ3 LYS 37 -3.180 20.636 -0.016 301 H SER 38 HN SER 38 3.325 20.282 3.652 302 HA SER 38 HA SER 38 5.902 19.261 2.687 303 HB2 SER 38 HB2 SER 38 6.086 18.266 4.902 304 HB3 SER 38 HB1 SER 38 5.528 19.928 5.066 305 HG SER 38 HG SER 38 4.351 17.692 5.888 306 H VAL 39 HN VAL 39 6.351 17.102 2.224 307 HA VAL 39 HA VAL 39 4.089 15.165 2.198 308 HB VAL 39 HB VAL 39 4.324 16.300 -0.067 309 HG11 VAL 39 HG11 VAL 39 6.220 15.804 -1.442 310 HG12 VAL 39 HG12 VAL 39 6.865 14.665 -0.260 311 HG13 VAL 39 HG13 VAL 39 6.864 16.394 0.089 312 HG21 VAL 39 HG21 VAL 39 4.256 14.139 -1.301 313 HG22 VAL 39 HG22 VAL 39 3.277 14.106 0.166 314 HG23 VAL 39 HG23 VAL 39 4.858 13.324 0.142 315 H TYR 40 HN TYR 40 4.740 13.119 2.722 316 HA TYR 40 HA TYR 40 7.649 12.737 3.311 317 HB2 TYR 40 HB2 TYR 40 5.168 11.326 4.332 318 HB3 TYR 40 HB1 TYR 40 6.818 10.854 4.743 319 HD1 TYR 40 HD1 TYR 40 4.215 13.429 5.153 320 HD2 TYR 40 HD2 TYR 40 8.226 12.260 6.151 321 HE1 TYR 40 HE1 TYR 40 4.281 15.165 6.923 322 HE2 TYR 40 HE2 TYR 40 8.291 13.994 7.923 323 HH TYR 40 HH TYR 40 7.024 15.421 9.141 324 H GLN 41 HN GLN 41 8.779 11.335 2.093 325 HA GLN 41 HA GLN 41 7.281 9.464 0.281 326 HB2 GLN 41 HB2 GLN 41 9.971 10.824 -0.032 327 HB3 GLN 41 HB1 GLN 41 9.387 9.549 -1.103 328 HG2 GLN 41 HG2 GLN 41 7.419 10.907 -1.670 329 HG3 GLN 41 HG1 GLN 41 7.970 12.178 -0.580 330 HE21 GLN 41 HE21 GLN 41 7.983 11.293 -3.806 331 HE22 GLN 41 HE22 GLN 41 9.348 12.162 -4.320 332 H GLY 42 HN GLY 42 8.212 7.354 0.003 333 HA2 GLY 42 HA2 GLY 42 10.524 6.461 1.440 334 HA3 GLY 42 HA1 GLY 42 9.080 6.107 2.390 335 H TYR 43 HN TYR 43 9.953 3.843 1.919 336 HA TYR 43 HA TYR 43 8.776 2.842 -0.663 337 HB2 TYR 43 HB2 TYR 43 11.233 1.865 0.818 338 HB3 TYR 43 HB1 TYR 43 10.493 1.031 -0.549 339 HD1 TYR 43 HD1 TYR 43 12.255 4.112 0.514 340 HD2 TYR 43 HD2 TYR 43 10.717 1.847 -2.794 341 HE1 TYR 43 HE1 TYR 43 13.491 5.576 -1.061 342 HE2 TYR 43 HE2 TYR 43 11.952 3.307 -4.371 343 HH TYR 43 HH TYR 43 13.910 4.788 -4.352 344 H ILE 44 HN ILE 44 7.594 0.947 -0.527 345 HA ILE 44 HA ILE 44 7.117 -0.161 2.219 346 HB ILE 44 HB ILE 44 5.202 1.245 1.410 347 HG12 ILE 44 HG12 ILE 44 4.527 -1.707 1.454 348 HG13 ILE 44 HG11 ILE 44 4.971 -0.800 2.901 349 HG21 ILE 44 HG21 ILE 44 4.872 -0.907 -0.695 350 HG22 ILE 44 HG22 ILE 44 5.604 0.662 -1.030 351 HG23 ILE 44 HG23 ILE 44 3.923 0.567 -0.506 352 HD11 ILE 44 HD11 ILE 44 3.085 0.669 2.662 353 HD12 ILE 44 HD12 ILE 44 2.476 -0.977 2.477 354 HD13 ILE 44 HD13 ILE 44 2.723 0.037 1.055 355 H GLU 45 HN GLU 45 7.118 -2.401 2.306 356 HA GLU 45 HA GLU 45 7.441 -3.860 -0.302 357 HB2 GLU 45 HB2 GLU 45 9.603 -3.607 0.900 358 HB3 GLU 45 HB1 GLU 45 8.896 -4.429 2.293 359 HG2 GLU 45 HG2 GLU 45 8.491 -6.433 0.948 360 HG3 GLU 45 HG1 GLU 45 9.099 -5.615 -0.491 361 H ASP 46 HN ASP 46 6.595 -5.934 -0.390 362 HA ASP 46 HA ASP 46 4.970 -6.869 1.937 363 HB2 ASP 46 HB2 ASP 46 3.609 -5.605 0.153 364 HB3 ASP 46 HB1 ASP 46 3.964 -6.964 -0.914 365 H ASP 47 HN ASP 47 3.900 -9.111 0.557 366 HA ASP 47 HA ASP 47 6.254 -10.843 0.554 367 HB2 ASP 47 HB2 ASP 47 4.504 -12.632 0.113 368 HB3 ASP 47 HB1 ASP 47 4.272 -11.709 1.598 369 H THR 48 HN THR 48 4.844 -8.919 -1.776 370 HA THR 48 HA THR 48 5.541 -10.788 -4.019 371 HB THR 48 HB THR 48 4.230 -9.250 -5.434 372 HG1 THR 48 HG1 THR 48 4.007 -7.865 -2.983 373 HG21 THR 48 HG21 THR 48 2.090 -9.911 -4.663 374 HG22 THR 48 HG22 THR 48 2.595 -9.867 -2.974 375 HG23 THR 48 HG23 THR 48 3.182 -11.145 -4.038 376 H ALA 49 HN ALA 49 5.690 -7.259 -3.381 377 HA ALA 49 HA ALA 49 8.553 -7.210 -3.983 378 HB1 ALA 49 HB1 ALA 49 7.387 -7.289 -6.245 379 HB2 ALA 49 HB2 ALA 49 8.450 -5.905 -5.989 380 HB3 ALA 49 HB3 ALA 49 6.702 -5.712 -5.850 381 H ARG 50 HN ARG 50 8.419 -4.375 -4.806 382 HA ARG 50 HA ARG 50 7.140 -3.061 -2.471 383 HB2 ARG 50 HB2 ARG 50 9.229 -1.890 -1.875 384 HB3 ARG 50 HB1 ARG 50 9.417 -3.634 -1.708 385 HG2 ARG 50 HG2 ARG 50 10.512 -3.734 -3.919 386 HG3 ARG 50 HG1 ARG 50 10.322 -1.990 -4.098 387 HD2 ARG 50 HD2 ARG 50 12.579 -2.461 -3.310 388 HD3 ARG 50 HD1 ARG 50 11.672 -1.667 -2.022 389 HE ARG 50 HE ARG 50 11.411 -4.502 -1.736 390 HH11 ARG 50 HH21 ARG 50 13.698 -1.922 -1.484 391 HH12 ARG 50 HH22 ARG 50 14.626 -2.696 -0.244 392 HH21 ARG 50 HH11 ARG 50 12.614 -5.515 -0.119 393 HH22 ARG 50 HH12 ARG 50 14.013 -4.726 0.528 394 H ILE 51 HN ILE 51 6.988 -0.724 -2.726 395 HA ILE 51 HA ILE 51 7.673 0.360 -5.403 396 HB ILE 51 HB ILE 51 5.394 -0.614 -5.622 397 HG12 ILE 51 HG12 ILE 51 5.272 2.409 -5.566 398 HG13 ILE 51 HG11 ILE 51 6.177 1.521 -6.791 399 HG21 ILE 51 HG21 ILE 51 4.812 -0.233 -3.183 400 HG22 ILE 51 HG22 ILE 51 3.557 0.243 -4.326 401 HG23 ILE 51 HG23 ILE 51 4.580 1.470 -3.579 402 HD11 ILE 51 HD11 ILE 51 4.212 0.468 -7.628 403 HD12 ILE 51 HD12 ILE 51 3.771 2.161 -7.401 404 HD13 ILE 51 HD13 ILE 51 3.263 0.952 -6.223 405 H ARG 52 HN ARG 52 7.447 2.719 -5.480 406 HA ARG 52 HA ARG 52 8.257 3.957 -2.970 407 HB2 ARG 52 HB2 ARG 52 9.194 4.660 -5.162 408 HB3 ARG 52 HB1 ARG 52 7.599 5.242 -5.640 409 HG2 ARG 52 HG2 ARG 52 7.595 6.848 -3.796 410 HG3 ARG 52 HG1 ARG 52 9.141 6.228 -3.221 411 HD2 ARG 52 HD2 ARG 52 9.530 8.259 -4.515 412 HD3 ARG 52 HD1 ARG 52 10.164 6.878 -5.409 413 HE ARG 52 HE ARG 52 7.450 7.382 -6.202 414 HH11 ARG 52 HH21 ARG 52 10.674 8.608 -6.420 415 HH12 ARG 52 HH22 ARG 52 10.416 9.369 -7.955 416 HH21 ARG 52 HH11 ARG 52 7.107 8.371 -8.200 417 HH22 ARG 52 HH12 ARG 52 8.400 9.236 -8.960 418 H ILE 53 HN ILE 53 7.077 5.433 -1.731 419 HA ILE 53 HA ILE 53 4.187 5.799 -2.450 420 HB ILE 53 HB ILE 53 3.649 5.563 -0.052 421 HG12 ILE 53 HG12 ILE 53 6.527 4.646 0.259 422 HG13 ILE 53 HG11 ILE 53 5.956 6.233 0.765 423 HG21 ILE 53 HG21 ILE 53 5.237 3.166 -0.990 424 HG22 ILE 53 HG22 ILE 53 3.683 3.613 -1.694 425 HG23 ILE 53 HG23 ILE 53 3.786 3.177 0.011 426 HD11 ILE 53 HD11 ILE 53 4.179 4.970 2.132 427 HD12 ILE 53 HD12 ILE 53 5.838 4.916 2.719 428 HD13 ILE 53 HD13 ILE 53 5.167 3.536 1.854 429 H SER 54 HN SER 54 3.215 7.694 -1.513 430 HA SER 54 HA SER 54 5.051 9.749 -0.406 431 HB2 SER 54 HB2 SER 54 4.300 11.413 -2.056 432 HB3 SER 54 HB1 SER 54 5.076 10.057 -2.872 433 HG SER 54 HG SER 54 2.608 10.995 -3.185 434 H SER 55 HN SER 55 4.014 10.709 1.270 435 HA SER 55 HA SER 55 1.018 10.584 1.361 436 HB2 SER 55 HB2 SER 55 2.003 9.248 3.130 437 HB3 SER 55 HB1 SER 55 3.062 10.575 3.596 438 HG SER 55 HG SER 55 1.428 11.556 4.543 439 H PHE 56 HN PHE 56 -0.021 12.489 1.328 440 HA PHE 56 HA PHE 56 1.605 14.975 1.586 441 HB2 PHE 56 HB2 PHE 56 -1.194 14.466 0.543 442 HB3 PHE 56 HB1 PHE 56 -0.416 16.051 0.591 443 HD1 PHE 56 HD2 PHE 56 1.777 16.380 -0.647 444 HD2 PHE 56 HD1 PHE 56 -0.699 12.913 -1.192 445 HE1 PHE 56 HE2 PHE 56 2.956 15.871 -2.767 446 HE2 PHE 56 HE1 PHE 56 0.486 12.404 -3.311 447 HZ PHE 56 HZ PHE 56 2.311 13.882 -4.099 448 H GLY 57 HN GLY 57 1.631 15.951 3.531 449 HA2 GLY 57 HA2 GLY 57 0.692 17.054 5.411 450 HA3 GLY 57 HA1 GLY 57 -0.882 16.384 4.990 451 H LYS 58 HN LYS 58 -0.592 13.714 5.082 452 HA LYS 58 HA LYS 58 -0.356 13.194 7.910 453 HB2 LYS 58 HB2 LYS 58 -0.718 11.386 5.516 454 HB3 LYS 58 HB1 LYS 58 -0.658 10.775 7.171 455 HG2 LYS 58 HG2 LYS 58 -2.537 12.258 7.784 456 HG3 LYS 58 HG1 LYS 58 -2.606 12.850 6.125 457 HD2 LYS 58 HD2 LYS 58 -3.083 10.568 5.324 458 HD3 LYS 58 HD1 LYS 58 -3.015 9.971 6.983 459 HE2 LYS 58 HE2 LYS 58 -4.922 12.131 6.058 460 HE3 LYS 58 HE1 LYS 58 -5.353 10.425 6.153 461 HZ1 LYS 58 HZ1 LYS 58 -5.737 12.077 8.154 462 HZ2 LYS 58 HZ2 LYS 58 -4.132 11.648 8.507 463 HZ3 LYS 58 HZ3 LYS 58 -5.333 10.449 8.405 464 H GLN 59 HN GLN 59 1.278 12.281 9.070 465 HA GLN 59 HA GLN 59 3.925 12.135 7.773 466 HB2 GLN 59 HB2 GLN 59 3.626 13.275 9.974 467 HB3 GLN 59 HB1 GLN 59 3.168 11.724 10.680 468 HG2 GLN 59 HG2 GLN 59 5.330 10.778 10.198 469 HG3 GLN 59 HG1 GLN 59 5.789 12.183 9.236 470 HE21 GLN 59 HE21 GLN 59 7.366 11.349 11.458 471 HE22 GLN 59 HE22 GLN 59 7.249 12.525 12.677 472 H LEU 60 HN LEU 60 5.319 10.272 8.091 473 HA LEU 60 HA LEU 60 3.831 7.676 8.368 474 HB2 LEU 60 HB2 LEU 60 6.207 8.305 6.591 475 HB3 LEU 60 HB1 LEU 60 5.375 6.754 6.701 476 HG LEU 60 HG LEU 60 4.119 9.363 5.795 477 HD11 LEU 60 HD11 LEU 60 5.096 6.914 4.308 478 HD12 LEU 60 HD12 LEU 60 5.606 8.588 4.086 479 HD13 LEU 60 HD13 LEU 60 3.987 8.087 3.596 480 HD21 LEU 60 HD21 LEU 60 2.326 7.582 5.024 481 HD22 LEU 60 HD22 LEU 60 2.326 8.148 6.689 482 HD23 LEU 60 HD23 LEU 60 3.045 6.587 6.290 483 H GLN 61 HN GLN 61 5.028 5.952 9.324 484 HA GLN 61 HA GLN 61 7.237 6.889 11.115 485 HB2 GLN 61 HB2 GLN 61 5.251 4.616 11.340 486 HB3 GLN 61 HB1 GLN 61 6.618 4.825 12.438 487 HG2 GLN 61 HG2 GLN 61 5.808 7.045 13.073 488 HG3 GLN 61 HG1 GLN 61 4.474 6.908 11.928 489 HE21 GLN 61 HE21 GLN 61 4.845 6.861 15.113 490 HE22 GLN 61 HE22 GLN 61 3.768 5.628 15.563 491 H ASP 62 HN ASP 62 9.201 5.962 10.979 492 HA ASP 62 HA ASP 62 9.918 4.403 8.689 493 HB2 ASP 62 HB2 ASP 62 11.455 5.951 9.870 494 HB3 ASP 62 HB1 ASP 62 11.477 4.850 11.247 495 H SER 63 HN SER 63 10.181 2.265 8.411 496 HA SER 63 HA SER 63 9.749 -0.005 8.755 497 HB2 SER 63 HB2 SER 63 11.259 0.665 11.294 498 HB3 SER 63 HB1 SER 63 10.992 -0.962 10.674 499 HG SER 63 HG SER 63 12.484 -0.636 9.222 500 H ASP 64 HN ASP 64 7.438 0.424 8.953 501 HA ASP 64 HA ASP 64 6.427 -0.566 11.553 502 HB2 ASP 64 HB2 ASP 64 6.422 1.932 11.746 503 HB3 ASP 64 HB1 ASP 64 5.348 1.999 10.348 504 H VAL 65 HN VAL 65 4.923 -2.084 11.136 505 HA VAL 65 HA VAL 65 3.962 -2.487 8.411 506 HB VAL 65 HB VAL 65 3.023 -3.931 10.892 507 HG11 VAL 65 HG11 VAL 65 3.442 -4.972 8.083 508 HG12 VAL 65 HG12 VAL 65 1.919 -4.247 8.599 509 HG13 VAL 65 HG13 VAL 65 2.511 -5.709 9.387 510 HG21 VAL 65 HG21 VAL 65 5.405 -4.048 11.032 511 HG22 VAL 65 HG22 VAL 65 5.570 -4.246 9.287 512 HG23 VAL 65 HG23 VAL 65 4.909 -5.556 10.264 513 H VAL 66 HN VAL 66 2.305 -1.339 7.620 514 HA VAL 66 HA VAL 66 -0.079 -0.880 9.361 515 HB VAL 66 HB VAL 66 -0.244 1.454 8.534 516 HG11 VAL 66 HG11 VAL 66 2.453 0.970 9.820 517 HG12 VAL 66 HG12 VAL 66 0.931 0.793 10.696 518 HG13 VAL 66 HG13 VAL 66 1.391 2.362 10.032 519 HG21 VAL 66 HG21 VAL 66 1.039 1.217 6.461 520 HG22 VAL 66 HG22 VAL 66 2.498 0.848 7.380 521 HG23 VAL 66 HG23 VAL 66 1.779 2.456 7.474 522 H ARG 67 HN ARG 67 -1.955 -0.136 8.040 523 HA ARG 67 HA ARG 67 -1.894 -1.285 5.273 524 HB2 ARG 67 HB2 ARG 67 -3.140 -2.732 6.843 525 HB3 ARG 67 HB1 ARG 67 -4.163 -1.361 7.280 526 HG2 ARG 67 HG2 ARG 67 -5.008 -1.192 5.018 527 HG3 ARG 67 HG1 ARG 67 -3.871 -2.416 4.455 528 HD2 ARG 67 HD2 ARG 67 -6.040 -3.462 4.766 529 HD3 ARG 67 HD1 ARG 67 -4.951 -4.055 6.017 530 HE ARG 67 HE ARG 67 -6.359 -1.760 6.993 531 HH11 ARG 67 HH21 ARG 67 -6.766 -5.074 6.106 532 HH12 ARG 67 HH22 ARG 67 -8.081 -5.338 7.202 533 HH21 ARG 67 HH11 ARG 67 -8.071 -2.094 8.422 534 HH22 ARG 67 HH12 ARG 67 -8.819 -3.653 8.511 535 H ILE 68 HN ILE 68 -2.545 0.092 3.712 536 HA ILE 68 HA ILE 68 -3.764 2.698 4.558 537 HB ILE 68 HB ILE 68 -2.310 1.985 1.990 538 HG12 ILE 68 HG12 ILE 68 -1.357 3.620 4.363 539 HG13 ILE 68 HG11 ILE 68 -0.907 1.937 4.088 540 HG21 ILE 68 HG21 ILE 68 -2.298 4.414 1.632 541 HG22 ILE 68 HG22 ILE 68 -3.143 4.661 3.161 542 HG23 ILE 68 HG23 ILE 68 -3.959 3.854 1.823 543 HD11 ILE 68 HD11 ILE 68 0.860 3.270 3.166 544 HD12 ILE 68 HD12 ILE 68 -0.285 4.320 2.331 545 HD13 ILE 68 HD13 ILE 68 -0.067 2.653 1.798 546 H ASP 69 HN ASP 69 -5.805 3.116 3.946 547 HA ASP 69 HA ASP 69 -7.109 1.305 1.941 548 HB2 ASP 69 HB2 ASP 69 -8.216 2.838 4.302 549 HB3 ASP 69 HB1 ASP 69 -9.236 2.059 3.094 550 H ASN 70 HN ASN 70 -8.248 2.194 0.270 551 HA ASN 70 HA ASN 70 -8.899 3.766 -1.322 552 HB2 ASN 70 HB2 ASN 70 -10.138 4.669 0.720 553 HB3 ASN 70 HB1 ASN 70 -8.814 5.817 0.894 554 HD21 ASN 70 HD21 ASN 70 -9.909 7.740 0.243 555 HD22 ASN 70 HD22 ASN 70 -10.573 7.948 -1.305 556 H ALA 71 HN ALA 71 -6.110 3.226 -1.002 557 HA ALA 71 HA ALA 71 -4.606 5.713 -1.029 558 HB1 ALA 71 HB1 ALA 71 -3.375 3.760 -0.431 559 HB2 ALA 71 HB2 ALA 71 -2.805 4.188 -2.043 560 HB3 ALA 71 HB3 ALA 71 -3.960 2.871 -1.837 561 H ARG 72 HN ARG 72 -4.025 6.945 -2.815 562 HA ARG 72 HA ARG 72 -5.493 6.371 -5.327 563 HB2 ARG 72 HB2 ARG 72 -5.596 8.631 -4.311 564 HB3 ARG 72 HB1 ARG 72 -3.851 8.788 -4.512 565 HG2 ARG 72 HG2 ARG 72 -4.091 8.565 -6.945 566 HG3 ARG 72 HG1 ARG 72 -5.832 8.341 -6.767 567 HD2 ARG 72 HD2 ARG 72 -4.340 10.808 -5.828 568 HD3 ARG 72 HD1 ARG 72 -5.179 10.694 -7.375 569 HE ARG 72 HE ARG 72 -7.033 9.947 -5.375 570 HH11 ARG 72 HH21 ARG 72 -5.146 12.669 -6.361 571 HH12 ARG 72 HH22 ARG 72 -6.280 13.832 -5.763 572 HH21 ARG 72 HH11 ARG 72 -8.516 11.455 -4.595 573 HH22 ARG 72 HH12 ARG 72 -8.186 13.146 -4.765 574 H VAL 73 HN VAL 73 -4.519 5.687 -7.157 575 HA VAL 73 HA VAL 73 -1.641 5.041 -7.070 576 HB VAL 73 HB VAL 73 -3.620 4.581 -9.318 577 HG11 VAL 73 HG11 VAL 73 -2.061 2.895 -10.036 578 HG12 VAL 73 HG12 VAL 73 -1.117 3.054 -8.556 579 HG13 VAL 73 HG13 VAL 73 -1.123 4.359 -9.741 580 HG21 VAL 73 HG21 VAL 73 -3.774 2.267 -8.279 581 HG22 VAL 73 HG22 VAL 73 -4.558 3.552 -7.357 582 HG23 VAL 73 HG23 VAL 73 -2.982 2.939 -6.854 583 H ALA 74 HN ALA 74 -0.080 6.210 -8.103 584 HA ALA 74 HA ALA 74 -0.886 8.171 -10.210 585 HB1 ALA 74 HB1 ALA 74 0.603 9.865 -9.176 586 HB2 ALA 74 HB2 ALA 74 0.870 8.779 -7.813 587 HB3 ALA 74 HB3 ALA 74 -0.738 9.438 -8.113 588 H GLN 75 HN GLN 75 0.871 8.748 -11.624 589 HA GLN 75 HA GLN 75 3.207 6.862 -11.527 590 HB2 GLN 75 HB2 GLN 75 1.626 6.326 -13.364 591 HB3 GLN 75 HB1 GLN 75 1.802 7.973 -13.973 592 HG2 GLN 75 HG2 GLN 75 4.181 7.625 -14.360 593 HG3 GLN 75 HG1 GLN 75 4.098 6.023 -13.626 594 HE21 GLN 75 HE21 GLN 75 4.419 4.625 -15.384 595 HE22 GLN 75 HE22 GLN 75 3.507 4.663 -16.815 596 H PHE 76 HN PHE 76 5.058 7.931 -11.197 597 HA PHE 76 HA PHE 76 5.326 10.728 -12.264 598 HB2 PHE 76 HB2 PHE 76 6.275 9.541 -9.647 599 HB3 PHE 76 HB1 PHE 76 6.908 11.055 -10.295 600 HD1 PHE 76 HD2 PHE 76 5.274 12.932 -10.838 601 HD2 PHE 76 HD1 PHE 76 4.180 9.484 -8.520 602 HE1 PHE 76 HE2 PHE 76 3.298 14.146 -9.963 603 HE2 PHE 76 HE1 PHE 76 2.203 10.700 -7.647 604 HZ PHE 76 HZ PHE 76 1.762 13.030 -8.368 605 H ASN 77 HN ASN 77 7.040 11.060 -13.542 606 HA ASN 77 HA ASN 77 8.930 10.606 -14.829 607 HB2 ASN 77 HB2 ASN 77 9.721 9.344 -12.191 608 HB3 ASN 77 HB1 ASN 77 10.821 9.477 -13.563 609 HD21 ASN 77 HD21 ASN 77 11.306 10.879 -11.087 610 HD22 ASN 77 HD22 ASN 77 11.166 12.543 -11.391 611 H GLY 78 HN GLY 78 6.675 8.745 -14.949 612 HA2 GLY 78 HA2 GLY 78 6.265 6.806 -16.222 613 HA3 GLY 78 HA1 GLY 78 8.006 6.625 -16.427 614 H TYR 79 HN TYR 79 7.366 6.996 -13.165 615 HA TYR 79 HA TYR 79 7.399 4.023 -12.744 616 HB2 TYR 79 HB2 TYR 79 8.595 6.287 -11.132 617 HB3 TYR 79 HB1 TYR 79 8.477 4.630 -10.537 618 HD1 TYR 79 HD2 TYR 79 9.549 2.763 -11.882 619 HD2 TYR 79 HD1 TYR 79 10.316 6.918 -12.658 620 HE1 TYR 79 HE2 TYR 79 11.590 2.148 -13.147 621 HE2 TYR 79 HE1 TYR 79 12.358 6.302 -13.925 622 HH TYR 79 HH TYR 79 13.541 4.620 -14.800 623 H LEU 80 HN LEU 80 5.858 3.134 -11.478 624 HA LEU 80 HA LEU 80 3.537 4.724 -10.768 625 HB2 LEU 80 HB2 LEU 80 4.204 1.837 -10.160 626 HB3 LEU 80 HB1 LEU 80 2.620 2.584 -9.958 627 HG LEU 80 HG LEU 80 4.124 2.369 -12.585 628 HD11 LEU 80 HD11 LEU 80 2.431 0.692 -13.170 629 HD12 LEU 80 HD12 LEU 80 1.682 0.872 -11.584 630 HD13 LEU 80 HD13 LEU 80 3.304 0.192 -11.721 631 HD21 LEU 80 HD21 LEU 80 1.515 3.635 -11.758 632 HD22 LEU 80 HD22 LEU 80 1.659 2.944 -13.373 633 HD23 LEU 80 HD23 LEU 80 2.743 4.237 -12.873 634 H SER 81 HN SER 81 2.720 5.144 -8.709 635 HA SER 81 HA SER 81 4.231 4.360 -6.321 636 HB2 SER 81 HB2 SER 81 5.522 6.313 -7.002 637 HB3 SER 81 HB1 SER 81 4.048 7.259 -7.189 638 HG SER 81 HG SER 81 3.912 7.470 -5.083 639 H LEU 82 HN LEU 82 3.017 4.834 -4.370 640 HA LEU 82 HA LEU 82 0.104 5.232 -4.914 641 HB2 LEU 82 HB2 LEU 82 1.511 4.189 -2.438 642 HB3 LEU 82 HB1 LEU 82 -0.232 4.228 -2.699 643 HG LEU 82 HG LEU 82 1.767 2.675 -4.373 644 HD11 LEU 82 HD11 LEU 82 -0.396 1.589 -2.564 645 HD12 LEU 82 HD12 LEU 82 1.248 1.873 -1.990 646 HD13 LEU 82 HD13 LEU 82 0.953 0.716 -3.289 647 HD21 LEU 82 HD21 LEU 82 -1.204 3.160 -4.589 648 HD22 LEU 82 HD22 LEU 82 -0.534 1.624 -5.140 649 HD23 LEU 82 HD23 LEU 82 0.015 3.132 -5.864 650 H SER 83 HN SER 83 -0.841 7.085 -4.342 651 HA SER 83 HA SER 83 0.655 8.992 -2.584 652 HB2 SER 83 HB2 SER 83 -1.440 9.362 -4.730 653 HB3 SER 83 HB1 SER 83 -1.024 10.647 -3.599 654 HG SER 83 HG SER 83 0.773 10.943 -4.650 655 H VAL 84 HN VAL 84 -0.116 9.260 -0.566 656 HA VAL 84 HA VAL 84 -2.836 8.245 0.095 657 HB VAL 84 HB VAL 84 -0.698 9.240 1.991 658 HG11 VAL 84 HG11 VAL 84 -3.141 7.491 2.291 659 HG12 VAL 84 HG12 VAL 84 -2.863 9.075 3.015 660 HG13 VAL 84 HG13 VAL 84 -1.916 7.686 3.544 661 HG21 VAL 84 HG21 VAL 84 0.220 7.428 0.592 662 HG22 VAL 84 HG22 VAL 84 -1.189 6.432 0.958 663 HG23 VAL 84 HG23 VAL 84 -0.055 6.862 2.239 664 H GLY 85 HN GLY 85 -4.397 9.741 -0.112 665 HA2 GLY 85 HA2 GLY 85 -3.803 12.614 0.201 666 HA3 GLY 85 HA1 GLY 85 -5.315 11.922 -0.378 667 H ASP 86 HN ASP 86 -5.746 13.841 1.311 668 HA ASP 86 HA ASP 86 -5.660 13.160 4.113 669 HB2 ASP 86 HB2 ASP 86 -7.239 15.200 2.536 670 HB3 ASP 86 HB1 ASP 86 -7.311 15.078 4.294 671 H SER 87 HN SER 87 -7.822 12.362 1.523 672 HA SER 87 HA SER 87 -10.064 11.701 3.317 673 HB2 SER 87 HB2 SER 87 -11.214 11.028 1.287 674 HB3 SER 87 HB1 SER 87 -10.398 12.557 0.977 675 HG SER 87 HG SER 87 -9.414 11.545 -0.568 676 H SER 88 HN SER 88 -7.171 10.253 2.486 677 HA SER 88 HA SER 88 -8.105 7.498 2.310 678 HB2 SER 88 HB2 SER 88 -5.850 6.919 2.055 679 HB3 SER 88 HB1 SER 88 -5.895 8.549 1.388 680 HG SER 88 HG SER 88 -4.597 7.596 3.569 681 H ARG 89 HN ARG 89 -7.253 5.854 3.913 682 HA ARG 89 HA ARG 89 -7.207 6.948 6.713 683 HB2 ARG 89 HB2 ARG 89 -8.847 4.645 5.634 684 HB3 ARG 89 HB1 ARG 89 -8.583 4.929 7.355 685 HG2 ARG 89 HG2 ARG 89 -9.604 7.135 7.189 686 HG3 ARG 89 HG1 ARG 89 -9.777 6.955 5.442 687 HD2 ARG 89 HD2 ARG 89 -11.907 6.455 6.523 688 HD3 ARG 89 HD1 ARG 89 -11.237 4.982 5.821 689 HE ARG 89 HE ARG 89 -10.621 5.472 8.672 690 HH11 ARG 89 HH21 ARG 89 -12.526 3.880 6.260 691 HH12 ARG 89 HH22 ARG 89 -13.060 2.630 7.330 692 HH21 ARG 89 HH11 ARG 89 -11.323 3.849 10.068 693 HH22 ARG 89 HH12 ARG 89 -12.384 2.613 9.480 694 H ILE 90 HN ILE 90 -5.810 5.914 8.083 695 HA ILE 90 HA ILE 90 -4.222 3.621 6.969 696 HB ILE 90 HB ILE 90 -3.286 5.963 8.650 697 HG12 ILE 90 HG12 ILE 90 -2.434 5.065 5.882 698 HG13 ILE 90 HG11 ILE 90 -3.654 6.308 6.164 699 HG21 ILE 90 HG21 ILE 90 -1.905 3.424 7.747 700 HG22 ILE 90 HG22 ILE 90 -2.106 4.009 9.398 701 HG23 ILE 90 HG23 ILE 90 -1.026 4.853 8.289 702 HD11 ILE 90 HD11 ILE 90 -1.376 7.258 5.788 703 HD12 ILE 90 HD12 ILE 90 -0.819 6.414 7.233 704 HD13 ILE 90 HD13 ILE 90 -2.039 7.681 7.366 705 H GLU 91 HN GLU 91 -4.165 1.859 8.248 706 HA GLU 91 HA GLU 91 -4.982 2.141 11.125 707 HB2 GLU 91 HB2 GLU 91 -5.726 -0.005 9.121 708 HB3 GLU 91 HB1 GLU 91 -5.997 -0.149 10.859 709 HG2 GLU 91 HG2 GLU 91 -7.386 1.872 10.836 710 HG3 GLU 91 HG1 GLU 91 -7.080 2.081 9.111 711 H SER 92 HN SER 92 -3.724 1.079 12.577 712 HA SER 92 HA SER 92 -1.101 0.199 11.761 713 HB2 SER 92 HB2 SER 92 -2.612 0.186 14.369 714 HB3 SER 92 HB1 SER 92 -1.015 -0.548 14.240 715 HG SER 92 HG SER 92 -1.802 2.137 13.899 716 H VAL 93 HN VAL 93 -0.215 -1.915 11.868 717 HA VAL 93 HA VAL 93 -2.243 -4.129 11.742 718 HB VAL 93 HB VAL 93 0.421 -3.759 10.349 719 HG11 VAL 93 HG11 VAL 93 -1.321 -6.210 10.678 720 HG12 VAL 93 HG12 VAL 93 0.409 -6.057 10.979 721 HG13 VAL 93 HG13 VAL 93 -0.203 -6.035 9.325 722 HG21 VAL 93 HG21 VAL 93 -1.734 -2.712 9.452 723 HG22 VAL 93 HG22 VAL 93 -2.317 -4.358 9.208 724 HG23 VAL 93 HG23 VAL 93 -0.887 -3.793 8.345 725 H ASN 94 HN ASN 94 -2.026 -5.756 13.159 726 HA ASN 94 HA ASN 94 -1.278 -6.908 15.055 727 HB2 ASN 94 HB2 ASN 94 1.303 -6.531 13.516 728 HB3 ASN 94 HB1 ASN 94 1.143 -7.584 14.920 729 HD21 ASN 94 HD21 ASN 94 1.812 -8.602 12.321 730 HD22 ASN 94 HD22 ASN 94 0.526 -9.575 11.788 731 H VAL 95 HN VAL 95 1.870 -6.000 15.417 732 HA VAL 95 HA VAL 95 2.973 -4.748 17.053 733 HB VAL 95 HB VAL 95 0.777 -2.783 16.327 734 HG11 VAL 95 HG11 VAL 95 3.161 -2.579 18.158 735 HG12 VAL 95 HG12 VAL 95 1.526 -1.957 18.383 736 HG13 VAL 95 HG13 VAL 95 2.625 -1.157 17.263 737 HG21 VAL 95 HG21 VAL 95 2.517 -3.610 14.581 738 HG22 VAL 95 HG22 VAL 95 3.689 -2.692 15.528 739 HG23 VAL 95 HG23 VAL 95 2.319 -1.869 14.783 740 H ASN 96 HN ASN 96 -0.024 -6.039 17.506 741 HA ASN 96 HA ASN 96 -0.684 -4.893 20.098 742 HB2 ASN 96 HB2 ASN 96 -1.665 -7.378 18.665 743 HB3 ASN 96 HB1 ASN 96 -2.340 -6.767 20.176 744 HD21 ASN 96 HD21 ASN 96 -2.274 -3.965 19.627 745 HD22 ASN 96 HD22 ASN 96 -3.348 -3.640 18.353 746 H ILE 97 HN ILE 97 -1.038 -6.615 21.933 747 HA ILE 97 HA ILE 97 1.291 -8.486 22.106 748 HB ILE 97 HB ILE 97 1.484 -7.696 24.540 749 HG12 ILE 97 HG12 ILE 97 0.039 -5.271 23.429 750 HG13 ILE 97 HG11 ILE 97 -0.743 -6.478 24.451 751 HG21 ILE 97 HG21 ILE 97 2.782 -5.627 23.841 752 HG22 ILE 97 HG22 ILE 97 2.168 -5.886 22.209 753 HG23 ILE 97 HG23 ILE 97 3.203 -7.097 22.965 754 HD11 ILE 97 HD11 ILE 97 0.830 -6.031 26.257 755 HD12 ILE 97 HD12 ILE 97 0.099 -4.511 25.746 756 HD13 ILE 97 HD13 ILE 97 1.737 -4.918 25.234 757 HA PRO 98 HA PRO 98 -2.849 -10.223 23.572 758 HB2 PRO 98 HB2 PRO 98 -3.100 -12.201 21.701 759 HB3 PRO 98 HB1 PRO 98 -3.684 -10.549 21.426 760 HG2 PRO 98 HG2 PRO 98 -1.197 -11.870 20.439 761 HG3 PRO 98 HG1 PRO 98 -2.265 -10.718 19.618 762 HD2 PRO 98 HD2 PRO 98 0.148 -10.021 20.788 763 HD3 PRO 98 HD1 PRO 98 -1.189 -8.883 20.522 764 H LEU 99 HN LEU 99 0.315 -11.222 23.139 765 HA LEU 99 HA LEU 99 0.414 -13.939 23.575 766 HB2 LEU 99 HB2 LEU 99 2.316 -12.297 23.326 767 HB3 LEU 99 HB1 LEU 99 2.159 -11.983 25.087 768 HG LEU 99 HG LEU 99 2.218 -14.774 24.993 769 HD11 LEU 99 HD11 LEU 99 3.960 -15.468 23.474 770 HD12 LEU 99 HD12 LEU 99 4.179 -13.819 22.903 771 HD13 LEU 99 HD13 LEU 99 2.682 -14.690 22.542 772 HD21 LEU 99 HD21 LEU 99 4.488 -12.789 25.268 773 HD22 LEU 99 HD22 LEU 99 4.673 -14.507 25.619 774 HD23 LEU 99 HD23 LEU 99 3.548 -13.527 26.562 775 H GLU 100 HN GLU 100 1.083 -12.015 26.537 776 HA GLU 100 HA GLU 100 0.524 -12.622 28.775 777 HB2 GLU 100 HB2 GLU 100 -1.430 -11.306 27.967 778 HB3 GLU 100 HB1 GLU 100 -2.204 -12.812 27.471 779 HG2 GLU 100 HG2 GLU 100 -2.176 -13.628 29.777 780 HG3 GLU 100 HG1 GLU 100 -1.313 -12.181 30.299 781 H HIS 101 HN HIS 101 1.504 -14.649 29.077 782 HA HIS 101 HA HIS 101 0.461 -17.144 28.114 783 HB2 HIS 101 HB2 HIS 101 2.274 -16.453 30.442 784 HB3 HIS 101 HB1 HIS 101 1.922 -18.108 29.946 785 HD1 HIS 101 HD1 HIS 101 2.587 -18.707 27.395 786 HD2 HIS 101 HD2 HIS 101 4.259 -15.212 28.935 787 HE1 HIS 101 HE1 HIS 101 4.521 -18.106 25.873 788 H HIS 102 HN HIS 102 -0.110 -15.261 31.047 789 HA HIS 102 HA HIS 102 -1.526 -17.274 32.503 790 HB2 HIS 102 HB2 HIS 102 -1.800 -14.258 32.612 791 HB3 HIS 102 HB1 HIS 102 -2.406 -15.383 33.829 792 HD1 HIS 102 HD1 HIS 102 -0.500 -16.943 34.979 793 HD2 HIS 102 HD2 HIS 102 0.869 -13.562 32.961 794 HE1 HIS 102 HE1 HIS 102 1.872 -16.546 35.773 795 H HIS 103 HN HIS 103 -3.720 -17.738 32.629 796 HA HIS 103 HA HIS 103 -5.531 -16.426 30.631 797 HB2 HIS 103 HB2 HIS 103 -5.283 -19.391 31.226 798 HB3 HIS 103 HB1 HIS 103 -6.519 -18.664 30.197 799 HD1 HIS 103 HD1 HIS 103 -5.543 -17.266 28.077 800 HD2 HIS 103 HD2 HIS 103 -2.904 -19.926 29.901 801 HE1 HIS 103 HE1 HIS 103 -3.659 -17.647 26.429 802 H HIS 104 HN HIS 104 -7.682 -16.240 31.296 803 HA HIS 104 HA HIS 104 -8.538 -17.411 33.858 804 HB2 HIS 104 HB2 HIS 104 -7.331 -15.297 34.477 805 HB3 HIS 104 HB1 HIS 104 -8.488 -14.399 33.494 806 HD1 HIS 104 HD1 HIS 104 -11.003 -14.422 34.299 807 HD2 HIS 104 HD2 HIS 104 -8.312 -16.143 36.978 808 HE1 HIS 104 HE1 HIS 104 -12.233 -14.653 36.501 809 H HIS 105 HN HIS 105 -9.961 -18.398 32.233 810 HA HIS 105 HA HIS 105 -12.521 -17.132 32.105 811 HB2 HIS 105 HB2 HIS 105 -12.657 -16.917 29.599 812 HB3 HIS 105 HB1 HIS 105 -11.585 -15.740 30.355 813 HD1 HIS 105 HD1 HIS 105 -9.016 -16.070 30.027 814 HD2 HIS 105 HD2 HIS 105 -11.358 -18.828 27.955 815 HE1 HIS 105 HE1 HIS 105 -7.477 -17.218 28.375 816 H HIS 106 HN HIS 106 -11.381 -19.624 32.891 817 HA HIS 106 HA HIS 106 -11.766 -21.925 32.716 818 HB2 HIS 106 HB2 HIS 106 -14.119 -21.078 32.800 819 HB3 HIS 106 HB1 HIS 106 -14.130 -21.041 31.037 820 HD1 HIS 106 HD1 HIS 106 -13.994 -23.352 29.792 821 HD2 HIS 106 HD2 HIS 106 -14.363 -23.652 33.933 822 HE1 HIS 106 HE1 HIS 106 -14.606 -25.759 30.284 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -10.890 0.529 -4.600 2 H2 SER 1 HT2 SER 1 -12.034 1.128 -3.494 3 H3 SER 1 HT3 SER 1 -11.840 -0.547 -3.693 4 HA SER 1 HA SER 1 -9.375 0.701 -3.011 5 HB2 SER 1 HB2 SER 1 -11.496 0.794 -0.867 6 HB3 SER 1 HB1 SER 1 -9.893 1.525 -0.860 7 HG SER 1 HG SER 1 -10.582 3.047 -2.280 8 H ASP 2 HN ASP 2 -10.728 -1.812 -3.838 9 HA ASP 2 HA ASP 2 -10.903 -3.624 -1.624 10 HB2 ASP 2 HB2 ASP 2 -11.887 -4.033 -3.878 11 HB3 ASP 2 HB1 ASP 2 -10.257 -4.257 -4.516 12 H LEU 3 HN LEU 3 -9.405 -5.312 -1.041 13 HA LEU 3 HA LEU 3 -6.673 -4.378 -0.887 14 HB2 LEU 3 HB2 LEU 3 -7.686 -5.629 0.950 15 HB3 LEU 3 HB1 LEU 3 -7.947 -7.014 -0.107 16 HG LEU 3 HG LEU 3 -5.532 -7.304 -0.384 17 HD11 LEU 3 HD11 LEU 3 -5.453 -4.697 1.124 18 HD12 LEU 3 HD12 LEU 3 -4.551 -5.184 -0.312 19 HD13 LEU 3 HD13 LEU 3 -4.101 -5.822 1.267 20 HD21 LEU 3 HD21 LEU 3 -6.808 -8.210 1.653 21 HD22 LEU 3 HD22 LEU 3 -6.061 -6.898 2.566 22 HD23 LEU 3 HD23 LEU 3 -5.051 -8.124 1.800 23 H VAL 4 HN VAL 4 -5.097 -4.718 -2.347 24 HA VAL 4 HA VAL 4 -5.165 -7.187 -4.018 25 HB VAL 4 HB VAL 4 -4.602 -5.865 -6.031 26 HG11 VAL 4 HG11 VAL 4 -7.152 -4.802 -4.805 27 HG12 VAL 4 HG12 VAL 4 -6.991 -6.481 -5.321 28 HG13 VAL 4 HG13 VAL 4 -6.833 -5.178 -6.498 29 HG21 VAL 4 HG21 VAL 4 -4.972 -3.584 -4.082 30 HG22 VAL 4 HG22 VAL 4 -5.176 -3.349 -5.817 31 HG23 VAL 4 HG23 VAL 4 -3.623 -3.884 -5.177 32 H LYS 5 HN LYS 5 -3.062 -7.456 -5.191 33 HA LYS 5 HA LYS 5 -0.868 -7.088 -3.314 34 HB2 LYS 5 HB2 LYS 5 -1.012 -8.282 -6.099 35 HB3 LYS 5 HB1 LYS 5 0.436 -8.296 -5.099 36 HG2 LYS 5 HG2 LYS 5 -0.436 -10.358 -4.486 37 HG3 LYS 5 HG1 LYS 5 -1.261 -9.361 -3.296 38 HD2 LYS 5 HD2 LYS 5 -3.227 -9.209 -4.795 39 HD3 LYS 5 HD1 LYS 5 -2.395 -10.212 -5.980 40 HE2 LYS 5 HE2 LYS 5 -3.048 -11.053 -3.141 41 HE3 LYS 5 HE1 LYS 5 -3.958 -11.532 -4.574 42 HZ1 LYS 5 HZ1 LYS 5 -1.436 -12.139 -5.271 43 HZ2 LYS 5 HZ2 LYS 5 -2.546 -13.244 -4.614 44 HZ3 LYS 5 HZ3 LYS 5 -1.410 -12.478 -3.610 45 H ILE 6 HN ILE 6 1.148 -6.067 -3.844 46 HA ILE 6 HA ILE 6 0.895 -3.436 -4.922 47 HB ILE 6 HB ILE 6 3.331 -5.138 -4.337 48 HG12 ILE 6 HG12 ILE 6 2.144 -2.801 -2.811 49 HG13 ILE 6 HG11 ILE 6 1.780 -4.487 -2.442 50 HG21 ILE 6 HG21 ILE 6 4.081 -3.489 -5.882 51 HG22 ILE 6 HG22 ILE 6 4.466 -2.832 -4.293 52 HG23 ILE 6 HG23 ILE 6 3.054 -2.244 -5.171 53 HD11 ILE 6 HD11 ILE 6 4.271 -4.876 -2.203 54 HD12 ILE 6 HD12 ILE 6 3.573 -3.813 -0.980 55 HD13 ILE 6 HD13 ILE 6 4.485 -3.130 -2.326 56 H ARG 7 HN ARG 7 2.281 -6.423 -6.291 57 HA ARG 7 HA ARG 7 3.198 -5.228 -8.731 58 HB2 ARG 7 HB2 ARG 7 2.418 -8.074 -8.050 59 HB3 ARG 7 HB1 ARG 7 3.140 -7.607 -9.590 60 HG2 ARG 7 HG2 ARG 7 5.105 -6.704 -8.396 61 HG3 ARG 7 HG1 ARG 7 4.381 -7.168 -6.857 62 HD2 ARG 7 HD2 ARG 7 4.977 -9.136 -9.084 63 HD3 ARG 7 HD1 ARG 7 6.073 -8.821 -7.740 64 HE ARG 7 HE ARG 7 3.522 -9.448 -6.658 65 HH11 ARG 7 HH21 ARG 7 6.098 -10.869 -8.468 66 HH12 ARG 7 HH22 ARG 7 5.815 -12.466 -7.860 67 HH21 ARG 7 HH11 ARG 7 3.147 -11.519 -5.861 68 HH22 ARG 7 HH12 ARG 7 4.146 -12.834 -6.385 69 H ASP 8 HN ASP 8 0.048 -6.082 -7.624 70 HA ASP 8 HA ASP 8 -1.111 -6.250 -10.330 71 HB2 ASP 8 HB2 ASP 8 -2.003 -7.592 -8.410 72 HB3 ASP 8 HB1 ASP 8 -2.493 -6.085 -7.635 73 H VAL 9 HN VAL 9 -0.033 -3.780 -8.402 74 HA VAL 9 HA VAL 9 -2.152 -1.862 -8.595 75 HB VAL 9 HB VAL 9 0.841 -1.523 -8.296 76 HG11 VAL 9 HG11 VAL 9 -1.426 0.478 -8.218 77 HG12 VAL 9 HG12 VAL 9 0.073 0.564 -9.145 78 HG13 VAL 9 HG13 VAL 9 0.105 0.772 -7.394 79 HG21 VAL 9 HG21 VAL 9 -0.631 -2.708 -6.510 80 HG22 VAL 9 HG22 VAL 9 -1.308 -1.108 -6.211 81 HG23 VAL 9 HG23 VAL 9 0.416 -1.395 -5.973 82 H SER 10 HN SER 10 -2.764 -0.565 -10.237 83 HA SER 10 HA SER 10 -0.950 0.059 -12.454 84 HB2 SER 10 HB2 SER 10 -2.596 -0.812 -14.161 85 HB3 SER 10 HB1 SER 10 -1.756 -2.068 -13.259 86 HG SER 10 HG SER 10 -3.961 -1.298 -11.939 87 H LEU 11 HN LEU 11 -2.122 1.503 -14.056 88 HA LEU 11 HA LEU 11 -3.409 3.667 -12.700 89 HB2 LEU 11 HB2 LEU 11 -3.287 2.943 -15.639 90 HB3 LEU 11 HB1 LEU 11 -3.881 4.485 -15.030 91 HG LEU 11 HG LEU 11 -1.113 3.375 -14.471 92 HD11 LEU 11 HD11 LEU 11 -1.160 3.853 -16.802 93 HD12 LEU 11 HD12 LEU 11 -0.426 5.270 -16.051 94 HD13 LEU 11 HD13 LEU 11 -2.113 5.318 -16.562 95 HD21 LEU 11 HD21 LEU 11 -2.569 5.903 -13.724 96 HD22 LEU 11 HD22 LEU 11 -0.827 5.973 -13.989 97 HD23 LEU 11 HD23 LEU 11 -1.483 4.908 -12.752 98 H SER 12 HN SER 12 -4.667 0.940 -14.561 99 HA SER 12 HA SER 12 -7.366 1.753 -14.802 100 HB2 SER 12 HB2 SER 12 -6.119 -0.975 -14.435 101 HB3 SER 12 HB1 SER 12 -7.841 -0.754 -14.730 102 HG SER 12 HG SER 12 -7.040 0.585 -16.587 103 H THR 13 HN THR 13 -5.561 0.826 -11.998 104 HA THR 13 HA THR 13 -8.074 0.672 -10.374 105 HB THR 13 HB THR 13 -6.929 -0.700 -8.831 106 HG1 THR 13 HG1 THR 13 -4.706 0.413 -10.060 107 HG21 THR 13 HG21 THR 13 -5.927 -1.529 -11.562 108 HG22 THR 13 HG22 THR 13 -7.589 -1.743 -11.015 109 HG23 THR 13 HG23 THR 13 -6.277 -2.585 -10.192 110 HA PRO 14 HA PRO 14 -5.894 4.661 -9.329 111 HB2 PRO 14 HB2 PRO 14 -8.172 6.182 -9.100 112 HB3 PRO 14 HB1 PRO 14 -7.337 5.906 -10.642 113 HG2 PRO 14 HG2 PRO 14 -9.765 4.567 -9.538 114 HG3 PRO 14 HG1 PRO 14 -9.427 5.097 -11.198 115 HD2 PRO 14 HD2 PRO 14 -9.206 2.502 -10.406 116 HD3 PRO 14 HD1 PRO 14 -8.199 3.186 -11.700 117 H TYR 15 HN TYR 15 -8.418 2.809 -7.823 118 HA TYR 15 HA TYR 15 -7.653 3.960 -5.158 119 HB2 TYR 15 HB2 TYR 15 -10.405 3.104 -6.098 120 HB3 TYR 15 HB1 TYR 15 -10.001 3.570 -4.444 121 HD1 TYR 15 HD2 TYR 15 -8.716 5.881 -4.216 122 HD2 TYR 15 HD1 TYR 15 -11.177 4.776 -7.561 123 HE1 TYR 15 HE2 TYR 15 -8.989 8.275 -4.806 124 HE2 TYR 15 HE1 TYR 15 -11.449 7.171 -8.149 125 HH TYR 15 HH TYR 15 -9.536 9.636 -6.766 126 H VAL 16 HN VAL 16 -6.401 2.385 -4.328 127 HA VAL 16 HA VAL 16 -7.600 -0.345 -4.089 128 HB VAL 16 HB VAL 16 -5.351 -1.334 -4.529 129 HG11 VAL 16 HG11 VAL 16 -7.054 -1.243 -6.301 130 HG12 VAL 16 HG12 VAL 16 -5.438 -1.040 -6.976 131 HG13 VAL 16 HG13 VAL 16 -6.489 0.361 -6.767 132 HG21 VAL 16 HG21 VAL 16 -3.742 0.179 -5.787 133 HG22 VAL 16 HG22 VAL 16 -3.898 0.520 -4.064 134 HG23 VAL 16 HG23 VAL 16 -4.721 1.540 -5.243 135 H SER 17 HN SER 17 -6.549 -1.624 -2.374 136 HA SER 17 HA SER 17 -5.405 0.112 -0.206 137 HB2 SER 17 HB2 SER 17 -7.631 -0.638 0.411 138 HB3 SER 17 HB1 SER 17 -7.234 -2.296 -0.022 139 HG SER 17 HG SER 17 -5.452 -1.176 1.720 140 H VAL 18 HN VAL 18 -3.498 -0.584 0.689 141 HA VAL 18 HA VAL 18 -2.539 -3.341 0.018 142 HB VAL 18 HB VAL 18 -0.276 -2.414 -0.366 143 HG11 VAL 18 HG11 VAL 18 -1.872 -2.808 -2.242 144 HG12 VAL 18 HG12 VAL 18 -0.732 -1.504 -2.579 145 HG13 VAL 18 HG13 VAL 18 -2.391 -1.128 -2.114 146 HG21 VAL 18 HG21 VAL 18 -0.461 -0.356 0.943 147 HG22 VAL 18 HG22 VAL 18 -1.721 0.248 -0.134 148 HG23 VAL 18 HG23 VAL 18 -0.072 0.049 -0.729 149 H ILE 19 HN ILE 19 -0.779 -4.056 1.440 150 HA ILE 19 HA ILE 19 -0.689 -2.660 4.077 151 HB ILE 19 HB ILE 19 -2.394 -4.508 4.112 152 HG12 ILE 19 HG12 ILE 19 0.114 -4.796 5.796 153 HG13 ILE 19 HG11 ILE 19 -1.336 -3.874 6.189 154 HG21 ILE 19 HG21 ILE 19 -0.036 -6.379 3.865 155 HG22 ILE 19 HG22 ILE 19 -1.012 -5.925 2.469 156 HG23 ILE 19 HG23 ILE 19 -1.755 -6.774 3.825 157 HD11 ILE 19 HD11 ILE 19 -2.533 -6.215 5.895 158 HD12 ILE 19 HD12 ILE 19 -1.708 -5.824 7.402 159 HD13 ILE 19 HD13 ILE 19 -0.915 -6.844 6.203 160 H GLY 20 HN GLY 20 1.296 -2.823 5.123 161 HA2 GLY 20 HA2 GLY 20 3.266 -4.762 4.787 162 HA3 GLY 20 HA1 GLY 20 3.548 -3.622 3.472 163 H LYS 21 HN LYS 21 5.633 -3.376 4.710 164 HA LYS 21 HA LYS 21 5.333 -1.480 7.019 165 HB2 LYS 21 HB2 LYS 21 7.589 -2.135 7.654 166 HB3 LYS 21 HB1 LYS 21 6.586 -3.575 7.491 167 HG2 LYS 21 HG2 LYS 21 7.455 -3.793 5.122 168 HG3 LYS 21 HG1 LYS 21 8.609 -2.515 5.501 169 HD2 LYS 21 HD2 LYS 21 8.353 -5.068 7.112 170 HD3 LYS 21 HD1 LYS 21 9.516 -4.854 5.805 171 HE2 LYS 21 HE2 LYS 21 10.314 -2.765 7.069 172 HE3 LYS 21 HE1 LYS 21 9.377 -3.369 8.435 173 HZ1 LYS 21 HZ1 LYS 21 11.131 -4.600 8.923 174 HZ2 LYS 21 HZ2 LYS 21 11.898 -4.246 7.450 175 HZ3 LYS 21 HZ3 LYS 21 10.792 -5.532 7.547 176 H ILE 22 HN ILE 22 6.055 0.551 6.797 177 HA ILE 22 HA ILE 22 7.284 1.307 4.187 178 HB ILE 22 HB ILE 22 5.949 3.015 6.305 179 HG12 ILE 22 HG12 ILE 22 4.972 2.183 3.554 180 HG13 ILE 22 HG11 ILE 22 4.458 1.413 5.054 181 HG21 ILE 22 HG21 ILE 22 7.035 3.623 3.540 182 HG22 ILE 22 HG22 ILE 22 7.581 4.309 5.069 183 HG23 ILE 22 HG23 ILE 22 5.988 4.718 4.441 184 HD11 ILE 22 HD11 ILE 22 3.967 4.253 4.154 185 HD12 ILE 22 HD12 ILE 22 3.790 3.770 5.840 186 HD13 ILE 22 HD13 ILE 22 2.779 3.029 4.601 187 H THR 23 HN THR 23 9.323 2.066 4.107 188 HA THR 23 HA THR 23 10.634 3.050 6.584 189 HB THR 23 HB THR 23 11.303 0.740 6.541 190 HG1 THR 23 HG1 THR 23 13.191 2.562 5.510 191 HG21 THR 23 HG21 THR 23 10.708 0.178 4.251 192 HG22 THR 23 HG22 THR 23 12.406 -0.217 4.513 193 HG23 THR 23 HG23 THR 23 11.968 1.245 3.629 194 H GLY 24 HN GLY 24 12.569 4.280 6.142 195 HA2 GLY 24 HA2 GLY 24 13.984 5.640 4.813 196 HA3 GLY 24 HA1 GLY 24 13.190 5.012 3.368 197 H ILE 25 HN ILE 25 12.036 6.779 6.261 198 HA ILE 25 HA ILE 25 10.191 8.338 4.627 199 HB ILE 25 HB ILE 25 10.919 8.275 7.556 200 HG12 ILE 25 HG12 ILE 25 8.597 7.621 7.810 201 HG13 ILE 25 HG11 ILE 25 8.267 7.982 6.116 202 HG21 ILE 25 HG21 ILE 25 10.610 10.619 7.254 203 HG22 ILE 25 HG22 ILE 25 9.051 10.023 7.821 204 HG23 ILE 25 HG23 ILE 25 9.289 10.377 6.109 205 HD11 ILE 25 HD11 ILE 25 9.544 6.151 5.352 206 HD12 ILE 25 HD12 ILE 25 8.668 5.513 6.744 207 HD13 ILE 25 HD13 ILE 25 10.363 5.961 6.905 208 H HIS 26 HN HIS 26 10.657 10.181 3.615 209 HA HIS 26 HA HIS 26 12.973 11.834 4.556 210 HB2 HIS 26 HB2 HIS 26 12.178 11.090 1.730 211 HB3 HIS 26 HB1 HIS 26 13.312 12.390 2.111 212 HD1 HIS 26 HD1 HIS 26 12.930 8.643 2.301 213 HD2 HIS 26 HD2 HIS 26 15.843 11.531 3.044 214 HE1 HIS 26 HE1 HIS 26 15.099 7.391 2.682 215 H LYS 27 HN LYS 27 12.347 13.819 5.085 216 HA LYS 27 HA LYS 27 9.637 14.736 4.470 217 HB2 LYS 27 HB2 LYS 27 10.685 15.101 6.691 218 HB3 LYS 27 HB1 LYS 27 11.899 16.128 5.928 219 HG2 LYS 27 HG2 LYS 27 10.162 17.678 5.174 220 HG3 LYS 27 HG1 LYS 27 8.910 16.635 5.849 221 HD2 LYS 27 HD2 LYS 27 9.876 16.947 8.106 222 HD3 LYS 27 HD1 LYS 27 11.108 18.010 7.425 223 HE2 LYS 27 HE2 LYS 27 9.357 19.554 6.639 224 HE3 LYS 27 HE1 LYS 27 8.115 18.487 7.294 225 HZ1 LYS 27 HZ1 LYS 27 9.749 20.405 8.638 226 HZ2 LYS 27 HZ2 LYS 27 9.837 18.876 9.373 227 HZ3 LYS 27 HZ3 LYS 27 8.332 19.637 9.165 228 H LYS 28 HN LYS 28 9.108 16.052 2.825 229 HA LYS 28 HA LYS 28 11.171 17.828 1.624 230 HB2 LYS 28 HB2 LYS 28 9.494 15.791 0.140 231 HB3 LYS 28 HB1 LYS 28 10.305 17.143 -0.654 232 HG2 LYS 28 HG2 LYS 28 12.474 16.367 0.173 233 HG3 LYS 28 HG1 LYS 28 11.693 15.062 1.057 234 HD2 LYS 28 HD2 LYS 28 12.452 14.032 -0.932 235 HD3 LYS 28 HD1 LYS 28 10.736 14.314 -1.212 236 HE2 LYS 28 HE2 LYS 28 11.177 16.220 -2.592 237 HE3 LYS 28 HE1 LYS 28 12.868 16.279 -2.094 238 HZ1 LYS 28 HZ1 LYS 28 13.427 14.593 -3.458 239 HZ2 LYS 28 HZ2 LYS 28 12.075 15.137 -4.331 240 HZ3 LYS 28 HZ3 LYS 28 11.937 13.797 -3.296 241 H GLU 29 HN GLU 29 10.180 19.539 0.322 242 HA GLU 29 HA GLU 29 7.341 20.096 1.122 243 HB2 GLU 29 HB2 GLU 29 9.711 21.942 0.760 244 HB3 GLU 29 HB1 GLU 29 8.051 22.530 0.859 245 HG2 GLU 29 HG2 GLU 29 9.340 20.770 2.963 246 HG3 GLU 29 HG1 GLU 29 9.276 22.531 3.064 247 H TYR 30 HN TYR 30 5.927 20.734 -0.463 248 HA TYR 30 HA TYR 30 7.007 21.158 -3.217 249 HB2 TYR 30 HB2 TYR 30 5.414 19.626 -4.168 250 HB3 TYR 30 HB1 TYR 30 6.267 18.764 -2.892 251 HD1 TYR 30 HD2 TYR 30 5.154 18.750 -0.521 252 HD2 TYR 30 HD1 TYR 30 3.068 19.733 -4.149 253 HE1 TYR 30 HE2 TYR 30 2.987 18.265 0.588 254 HE2 TYR 30 HE1 TYR 30 0.907 19.247 -3.039 255 HH TYR 30 HH TYR 30 0.774 17.889 0.218 256 H GLU 31 HN GLU 31 5.469 22.259 -4.620 257 HA GLU 31 HA GLU 31 3.841 24.210 -3.114 258 HB2 GLU 31 HB2 GLU 31 4.754 24.002 -5.988 259 HB3 GLU 31 HB1 GLU 31 3.634 25.252 -5.439 260 HG2 GLU 31 HG2 GLU 31 5.256 26.053 -3.812 261 HG3 GLU 31 HG1 GLU 31 6.363 24.742 -4.221 262 H SER 32 HN SER 32 1.912 23.274 -2.554 263 HA SER 32 HA SER 32 0.401 21.610 -4.433 264 HB2 SER 32 HB2 SER 32 0.429 21.305 -1.909 265 HB3 SER 32 HB1 SER 32 -0.546 22.768 -1.805 266 HG SER 32 HG SER 32 -1.199 20.463 -3.334 267 H ASP 33 HN ASP 33 -2.200 22.657 -3.543 268 HA ASP 33 HA ASP 33 -2.814 24.381 -5.686 269 HB2 ASP 33 HB2 ASP 33 -4.470 23.072 -4.363 270 HB3 ASP 33 HB1 ASP 33 -4.268 24.213 -3.032 271 H GLY 34 HN GLY 34 -0.971 25.892 -5.512 272 HA2 GLY 34 HA2 GLY 34 -0.097 28.005 -5.046 273 HA3 GLY 34 HA1 GLY 34 -1.740 28.461 -4.591 274 H THR 35 HN THR 35 -0.218 25.801 -2.949 275 HA THR 35 HA THR 35 0.602 27.542 -0.683 276 HB THR 35 HB THR 35 -1.468 25.339 -0.446 277 HG1 THR 35 HG1 THR 35 -1.481 28.149 -0.172 278 HG21 THR 35 HG21 THR 35 0.055 26.939 1.619 279 HG22 THR 35 HG22 THR 35 -0.046 25.184 1.468 280 HG23 THR 35 HG23 THR 35 -1.457 26.108 1.983 281 H THR 36 HN THR 36 2.397 26.744 0.302 282 HA THR 36 HA THR 36 3.572 24.286 -0.751 283 HB THR 36 HB THR 36 4.569 26.047 1.503 284 HG1 THR 36 HG1 THR 36 4.174 26.716 -0.951 285 HG21 THR 36 HG21 THR 36 5.718 23.939 1.465 286 HG22 THR 36 HG22 THR 36 6.780 25.120 0.697 287 HG23 THR 36 HG23 THR 36 5.861 23.986 -0.293 288 H LYS 37 HN LYS 37 3.481 22.298 0.185 289 HA LYS 37 HA LYS 37 2.628 22.095 3.050 290 HB2 LYS 37 HB2 LYS 37 1.526 20.560 0.685 291 HB3 LYS 37 HB1 LYS 37 1.241 20.110 2.367 292 HG2 LYS 37 HG2 LYS 37 0.237 22.325 2.793 293 HG3 LYS 37 HG1 LYS 37 0.518 22.775 1.110 294 HD2 LYS 37 HD2 LYS 37 -0.912 20.872 0.388 295 HD3 LYS 37 HD1 LYS 37 -1.240 20.504 2.082 296 HE2 LYS 37 HE2 LYS 37 -1.847 23.169 0.771 297 HE3 LYS 37 HE1 LYS 37 -3.034 21.887 1.009 298 HZ1 LYS 37 HZ1 LYS 37 -1.457 23.127 3.197 299 HZ2 LYS 37 HZ2 LYS 37 -2.735 22.019 3.360 300 HZ3 LYS 37 HZ3 LYS 37 -3.036 23.588 2.782 301 H SER 38 HN SER 38 3.462 20.327 4.167 302 HA SER 38 HA SER 38 5.991 19.300 3.167 303 HB2 SER 38 HB2 SER 38 5.769 19.837 5.522 304 HB3 SER 38 HB1 SER 38 4.409 18.733 5.683 305 HG SER 38 HG SER 38 5.817 17.026 5.202 306 H VAL 39 HN VAL 39 6.485 17.174 2.603 307 HA VAL 39 HA VAL 39 4.276 15.179 2.560 308 HB VAL 39 HB VAL 39 4.416 16.415 0.341 309 HG11 VAL 39 HG11 VAL 39 6.277 16.059 -1.098 310 HG12 VAL 39 HG12 VAL 39 6.956 14.818 -0.044 311 HG13 VAL 39 HG13 VAL 39 6.981 16.508 0.454 312 HG21 VAL 39 HG21 VAL 39 4.902 13.438 0.559 313 HG22 VAL 39 HG22 VAL 39 4.503 14.220 -0.971 314 HG23 VAL 39 HG23 VAL 39 3.363 14.274 0.371 315 H TYR 40 HN TYR 40 4.984 13.120 2.983 316 HA TYR 40 HA TYR 40 7.927 12.766 3.424 317 HB2 TYR 40 HB2 TYR 40 5.583 11.181 4.523 318 HB3 TYR 40 HB1 TYR 40 7.279 10.943 4.934 319 HD1 TYR 40 HD1 TYR 40 8.515 12.601 6.250 320 HD2 TYR 40 HD2 TYR 40 4.346 13.118 5.352 321 HE1 TYR 40 HE1 TYR 40 8.363 14.375 7.975 322 HE2 TYR 40 HE2 TYR 40 4.195 14.895 7.078 323 HH TYR 40 HH TYR 40 5.834 16.524 8.186 324 H GLN 41 HN GLN 41 9.004 11.310 2.184 325 HA GLN 41 HA GLN 41 7.404 9.481 0.418 326 HB2 GLN 41 HB2 GLN 41 10.025 10.906 -0.086 327 HB3 GLN 41 HB1 GLN 41 9.383 9.636 -1.130 328 HG2 GLN 41 HG2 GLN 41 7.345 10.952 -1.508 329 HG3 GLN 41 HG1 GLN 41 7.948 12.214 -0.434 330 HE21 GLN 41 HE21 GLN 41 7.359 12.272 -3.427 331 HE22 GLN 41 HE22 GLN 41 8.798 12.831 -4.134 332 H GLY 42 HN GLY 42 8.304 7.388 0.028 333 HA2 GLY 42 HA2 GLY 42 10.747 6.486 1.231 334 HA3 GLY 42 HA1 GLY 42 9.393 6.097 2.293 335 H TYR 43 HN TYR 43 9.860 3.834 1.879 336 HA TYR 43 HA TYR 43 8.651 2.872 -0.683 337 HB2 TYR 43 HB2 TYR 43 11.204 1.888 0.617 338 HB3 TYR 43 HB1 TYR 43 10.364 1.038 -0.680 339 HD1 TYR 43 HD2 TYR 43 12.161 4.161 0.211 340 HD2 TYR 43 HD1 TYR 43 10.457 1.800 -2.945 341 HE1 TYR 43 HE2 TYR 43 13.275 5.605 -1.470 342 HE2 TYR 43 HE1 TYR 43 11.568 3.241 -4.627 343 HH TYR 43 HH TYR 43 12.432 5.757 -4.607 344 H ILE 44 HN ILE 44 7.469 0.962 -0.481 345 HA ILE 44 HA ILE 44 7.133 -0.089 2.305 346 HB ILE 44 HB ILE 44 5.185 1.276 1.405 347 HG12 ILE 44 HG12 ILE 44 4.545 -1.648 1.881 348 HG13 ILE 44 HG11 ILE 44 5.039 -0.551 3.170 349 HG21 ILE 44 HG21 ILE 44 5.511 0.289 -0.958 350 HG22 ILE 44 HG22 ILE 44 3.857 0.439 -0.369 351 HG23 ILE 44 HG23 ILE 44 4.660 -1.129 -0.347 352 HD11 ILE 44 HD11 ILE 44 3.140 0.964 2.502 353 HD12 ILE 44 HD12 ILE 44 2.629 -0.597 3.140 354 HD13 ILE 44 HD13 ILE 44 2.595 -0.302 1.403 355 H GLU 45 HN GLU 45 7.032 -2.330 2.505 356 HA GLU 45 HA GLU 45 7.279 -3.924 -0.024 357 HB2 GLU 45 HB2 GLU 45 9.535 -3.578 0.948 358 HB3 GLU 45 HB1 GLU 45 8.975 -4.285 2.463 359 HG2 GLU 45 HG2 GLU 45 8.492 -6.403 1.345 360 HG3 GLU 45 HG1 GLU 45 8.929 -5.708 -0.216 361 H ASP 46 HN ASP 46 6.558 -6.085 0.142 362 HA ASP 46 HA ASP 46 5.252 -6.943 2.659 363 HB2 ASP 46 HB2 ASP 46 3.115 -7.398 1.518 364 HB3 ASP 46 HB1 ASP 46 3.504 -5.679 1.448 365 H ASP 47 HN ASP 47 3.799 -9.064 1.388 366 HA ASP 47 HA ASP 47 5.989 -10.959 0.994 367 HB2 ASP 47 HB2 ASP 47 3.933 -11.533 2.267 368 HB3 ASP 47 HB1 ASP 47 2.991 -11.353 0.788 369 H THR 48 HN THR 48 4.321 -8.869 -1.044 370 HA THR 48 HA THR 48 4.550 -10.660 -3.424 371 HB THR 48 HB THR 48 3.246 -8.926 -4.580 372 HG1 THR 48 HG1 THR 48 2.442 -7.363 -2.715 373 HG21 THR 48 HG21 THR 48 2.225 -9.906 -1.914 374 HG22 THR 48 HG22 THR 48 1.861 -10.526 -3.525 375 HG23 THR 48 HG23 THR 48 1.203 -8.976 -3.008 376 H ALA 49 HN ALA 49 5.122 -7.164 -2.894 377 HA ALA 49 HA ALA 49 7.912 -7.413 -3.746 378 HB1 ALA 49 HB1 ALA 49 6.011 -5.836 -5.495 379 HB2 ALA 49 HB2 ALA 49 6.575 -7.459 -5.894 380 HB3 ALA 49 HB3 ALA 49 7.727 -6.129 -5.777 381 H ARG 50 HN ARG 50 7.884 -4.580 -4.714 382 HA ARG 50 HA ARG 50 7.040 -3.110 -2.277 383 HB2 ARG 50 HB2 ARG 50 9.235 -2.141 -1.923 384 HB3 ARG 50 HB1 ARG 50 9.395 -3.896 -1.916 385 HG2 ARG 50 HG2 ARG 50 10.080 -3.803 -4.321 386 HG3 ARG 50 HG1 ARG 50 10.030 -2.041 -4.237 387 HD2 ARG 50 HD2 ARG 50 11.706 -2.088 -2.415 388 HD3 ARG 50 HD1 ARG 50 11.779 -3.842 -2.545 389 HE ARG 50 HE ARG 50 12.979 -3.623 -4.594 390 HH11 ARG 50 HH21 ARG 50 11.809 -0.603 -3.379 391 HH12 ARG 50 HH22 ARG 50 12.778 0.348 -4.453 392 HH21 ARG 50 HH11 ARG 50 14.240 -2.388 -5.994 393 HH22 ARG 50 HH12 ARG 50 14.150 -0.660 -5.931 394 H ILE 51 HN ILE 51 6.869 -0.820 -2.600 395 HA ILE 51 HA ILE 51 7.422 0.244 -5.297 396 HB ILE 51 HB ILE 51 5.178 -0.744 -5.532 397 HG12 ILE 51 HG12 ILE 51 4.980 2.268 -5.322 398 HG13 ILE 51 HG11 ILE 51 5.839 1.449 -6.627 399 HG21 ILE 51 HG21 ILE 51 3.335 -0.056 -4.165 400 HG22 ILE 51 HG22 ILE 51 4.295 1.205 -3.392 401 HG23 ILE 51 HG23 ILE 51 4.636 -0.494 -3.059 402 HD11 ILE 51 HD11 ILE 51 2.928 0.964 -5.933 403 HD12 ILE 51 HD12 ILE 51 3.808 0.298 -7.309 404 HD13 ILE 51 HD13 ILE 51 3.479 2.029 -7.228 405 H ARG 52 HN ARG 52 7.535 2.514 -5.339 406 HA ARG 52 HA ARG 52 8.117 3.783 -2.794 407 HB2 ARG 52 HB2 ARG 52 9.327 4.340 -4.894 408 HB3 ARG 52 HB1 ARG 52 7.838 5.020 -5.550 409 HG2 ARG 52 HG2 ARG 52 7.763 6.672 -3.735 410 HG3 ARG 52 HG1 ARG 52 9.215 5.974 -3.018 411 HD2 ARG 52 HD2 ARG 52 9.853 7.937 -4.304 412 HD3 ARG 52 HD1 ARG 52 10.447 6.504 -5.141 413 HE ARG 52 HE ARG 52 7.862 7.139 -6.162 414 HH11 ARG 52 HH21 ARG 52 11.102 8.337 -6.055 415 HH12 ARG 52 HH22 ARG 52 10.983 9.155 -7.577 416 HH21 ARG 52 HH11 ARG 52 7.702 8.201 -8.140 417 HH22 ARG 52 HH12 ARG 52 9.062 9.079 -8.756 418 H ILE 53 HN ILE 53 6.845 5.192 -1.631 419 HA ILE 53 HA ILE 53 4.201 5.989 -2.778 420 HB ILE 53 HB ILE 53 3.039 5.404 -0.783 421 HG12 ILE 53 HG12 ILE 53 4.644 6.034 0.928 422 HG13 ILE 53 HG11 ILE 53 4.229 4.342 1.161 423 HG21 ILE 53 HG21 ILE 53 3.169 3.050 -0.849 424 HG22 ILE 53 HG22 ILE 53 4.900 3.064 -1.180 425 HG23 ILE 53 HG23 ILE 53 3.761 3.554 -2.431 426 HD11 ILE 53 HD11 ILE 53 6.776 5.517 0.077 427 HD12 ILE 53 HD12 ILE 53 6.323 3.857 -0.312 428 HD13 ILE 53 HD13 ILE 53 6.561 4.337 1.363 429 H SER 54 HN SER 54 3.204 7.785 -1.541 430 HA SER 54 HA SER 54 5.138 9.457 -0.027 431 HB2 SER 54 HB2 SER 54 5.315 10.176 -2.380 432 HB3 SER 54 HB1 SER 54 3.571 10.404 -2.443 433 HG SER 54 HG SER 54 4.068 12.342 -1.776 434 H SER 55 HN SER 55 4.155 10.680 1.546 435 HA SER 55 HA SER 55 1.169 10.485 1.755 436 HB2 SER 55 HB2 SER 55 2.163 9.240 3.541 437 HB3 SER 55 HB1 SER 55 3.330 10.514 3.871 438 HG SER 55 HG SER 55 1.571 11.840 4.483 439 H PHE 56 HN PHE 56 0.084 12.366 1.772 440 HA PHE 56 HA PHE 56 1.641 14.896 1.803 441 HB2 PHE 56 HB2 PHE 56 -1.156 14.172 0.923 442 HB3 PHE 56 HB1 PHE 56 -0.584 15.840 1.001 443 HD1 PHE 56 HD2 PHE 56 1.709 16.318 -0.172 444 HD2 PHE 56 HD1 PHE 56 -0.776 12.926 -1.038 445 HE1 PHE 56 HE2 PHE 56 2.839 16.053 -2.362 446 HE2 PHE 56 HE1 PHE 56 0.357 12.657 -3.229 447 HZ PHE 56 HZ PHE 56 2.164 14.222 -3.892 448 H GLY 57 HN GLY 57 1.761 16.007 3.648 449 HA2 GLY 57 HA2 GLY 57 1.045 17.112 5.595 450 HA3 GLY 57 HA1 GLY 57 -0.595 16.579 5.236 451 H LYS 58 HN LYS 58 -0.320 13.831 5.262 452 HA LYS 58 HA LYS 58 -0.231 13.318 8.108 453 HB2 LYS 58 HB2 LYS 58 -0.490 11.476 5.722 454 HB3 LYS 58 HB1 LYS 58 -0.669 10.958 7.399 455 HG2 LYS 58 HG2 LYS 58 -2.532 12.500 7.720 456 HG3 LYS 58 HG1 LYS 58 -2.307 13.153 6.101 457 HD2 LYS 58 HD2 LYS 58 -4.068 11.621 5.807 458 HD3 LYS 58 HD1 LYS 58 -2.657 10.703 5.292 459 HE2 LYS 58 HE2 LYS 58 -2.537 9.582 7.441 460 HE3 LYS 58 HE1 LYS 58 -3.822 10.598 8.089 461 HZ1 LYS 58 HZ1 LYS 58 -5.236 9.692 6.234 462 HZ2 LYS 58 HZ2 LYS 58 -4.836 8.594 7.467 463 HZ3 LYS 58 HZ3 LYS 58 -4.023 8.535 5.977 464 H GLN 59 HN GLN 59 1.386 12.459 9.317 465 HA GLN 59 HA GLN 59 4.015 12.045 8.024 466 HB2 GLN 59 HB2 GLN 59 3.904 13.441 10.044 467 HB3 GLN 59 HB1 GLN 59 3.225 12.085 10.949 468 HG2 GLN 59 HG2 GLN 59 5.246 10.782 10.632 469 HG3 GLN 59 HG1 GLN 59 5.912 12.002 9.547 470 HE21 GLN 59 HE21 GLN 59 7.309 11.221 11.903 471 HE22 GLN 59 HE22 GLN 59 7.320 12.528 12.986 472 H LEU 60 HN LEU 60 5.248 10.130 8.370 473 HA LEU 60 HA LEU 60 3.724 7.725 9.285 474 HB2 LEU 60 HB2 LEU 60 5.386 8.006 6.769 475 HB3 LEU 60 HB1 LEU 60 4.775 6.474 7.389 476 HG LEU 60 HG LEU 60 3.037 8.854 6.677 477 HD11 LEU 60 HD11 LEU 60 2.344 7.265 4.771 478 HD12 LEU 60 HD12 LEU 60 3.830 6.387 5.126 479 HD13 LEU 60 HD13 LEU 60 3.903 8.074 4.616 480 HD21 LEU 60 HD21 LEU 60 1.333 6.801 6.664 481 HD22 LEU 60 HD22 LEU 60 1.722 7.633 8.161 482 HD23 LEU 60 HD23 LEU 60 2.506 6.101 7.773 483 H GLN 61 HN GLN 61 5.096 5.959 9.950 484 HA GLN 61 HA GLN 61 7.702 6.931 11.026 485 HB2 GLN 61 HB2 GLN 61 5.803 4.735 11.840 486 HB3 GLN 61 HB1 GLN 61 7.447 4.826 12.474 487 HG2 GLN 61 HG2 GLN 61 5.476 7.122 12.608 488 HG3 GLN 61 HG1 GLN 61 5.690 5.951 13.910 489 HE21 GLN 61 HE21 GLN 61 7.623 6.092 15.198 490 HE22 GLN 61 HE22 GLN 61 8.741 7.358 15.031 491 H ASP 62 HN ASP 62 9.514 5.517 10.988 492 HA ASP 62 HA ASP 62 9.851 4.212 8.429 493 HB2 ASP 62 HB2 ASP 62 12.157 3.798 9.232 494 HB3 ASP 62 HB1 ASP 62 11.674 5.482 9.427 495 H SER 63 HN SER 63 10.354 2.036 8.041 496 HA SER 63 HA SER 63 9.744 -0.234 8.220 497 HB2 SER 63 HB2 SER 63 10.890 -1.230 10.328 498 HB3 SER 63 HB1 SER 63 11.902 -0.433 9.129 499 HG SER 63 HG SER 63 11.533 0.183 11.707 500 H ASP 64 HN ASP 64 7.648 1.502 9.134 501 HA ASP 64 HA ASP 64 6.588 0.104 11.552 502 HB2 ASP 64 HB2 ASP 64 4.877 1.871 11.580 503 HB3 ASP 64 HB1 ASP 64 6.504 2.547 11.585 504 H VAL 65 HN VAL 65 5.027 -1.401 11.395 505 HA VAL 65 HA VAL 65 4.043 -2.192 8.762 506 HB VAL 65 HB VAL 65 3.113 -3.234 11.440 507 HG11 VAL 65 HG11 VAL 65 1.954 -3.851 9.239 508 HG12 VAL 65 HG12 VAL 65 2.534 -5.200 10.216 509 HG13 VAL 65 HG13 VAL 65 3.451 -4.677 8.802 510 HG21 VAL 65 HG21 VAL 65 5.512 -3.372 11.529 511 HG22 VAL 65 HG22 VAL 65 5.607 -3.890 9.845 512 HG23 VAL 65 HG23 VAL 65 4.940 -4.975 11.065 513 H VAL 66 HN VAL 66 2.422 -1.048 7.841 514 HA VAL 66 HA VAL 66 0.045 -0.373 9.507 515 HB VAL 66 HB VAL 66 -0.074 1.862 8.468 516 HG11 VAL 66 HG11 VAL 66 2.666 1.549 9.699 517 HG12 VAL 66 HG12 VAL 66 1.201 1.331 10.655 518 HG13 VAL 66 HG13 VAL 66 1.524 2.881 9.882 519 HG21 VAL 66 HG21 VAL 66 2.523 0.958 7.208 520 HG22 VAL 66 HG22 VAL 66 2.105 2.664 7.364 521 HG23 VAL 66 HG23 VAL 66 1.086 1.592 6.405 522 H ARG 67 HN ARG 67 -1.836 0.200 8.144 523 HA ARG 67 HA ARG 67 -1.771 -1.218 5.503 524 HB2 ARG 67 HB2 ARG 67 -3.085 -2.383 7.305 525 HB3 ARG 67 HB1 ARG 67 -4.132 -0.965 7.386 526 HG2 ARG 67 HG2 ARG 67 -4.574 -1.243 4.921 527 HG3 ARG 67 HG1 ARG 67 -3.674 -2.755 4.983 528 HD2 ARG 67 HD2 ARG 67 -6.147 -2.113 6.612 529 HD3 ARG 67 HD1 ARG 67 -6.103 -3.142 5.183 530 HE ARG 67 HE ARG 67 -5.133 -3.857 7.863 531 HH11 ARG 67 HH21 ARG 67 -5.146 -4.496 4.465 532 HH12 ARG 67 HH22 ARG 67 -4.688 -6.157 4.650 533 HH21 ARG 67 HH11 ARG 67 -4.555 -6.011 8.111 534 HH22 ARG 67 HH12 ARG 67 -4.352 -7.013 6.714 535 H ILE 68 HN ILE 68 -2.364 0.007 3.797 536 HA ILE 68 HA ILE 68 -3.504 2.720 4.336 537 HB ILE 68 HB ILE 68 -2.111 1.649 1.865 538 HG12 ILE 68 HG12 ILE 68 -1.064 3.510 4.018 539 HG13 ILE 68 HG11 ILE 68 -0.678 1.792 3.933 540 HG21 ILE 68 HG21 ILE 68 -2.817 4.479 2.704 541 HG22 ILE 68 HG22 ILE 68 -3.691 3.548 1.490 542 HG23 ILE 68 HG23 ILE 68 -2.014 4.007 1.208 543 HD11 ILE 68 HD11 ILE 68 0.279 2.122 1.677 544 HD12 ILE 68 HD12 ILE 68 1.095 3.127 2.874 545 HD13 ILE 68 HD13 ILE 68 -0.087 3.845 1.781 546 H ASP 69 HN ASP 69 -5.584 3.028 3.818 547 HA ASP 69 HA ASP 69 -6.900 1.155 1.879 548 HB2 ASP 69 HB2 ASP 69 -7.979 2.615 4.298 549 HB3 ASP 69 HB1 ASP 69 -9.014 1.830 3.103 550 H ASN 70 HN ASN 70 -8.103 2.021 0.248 551 HA ASN 70 HA ASN 70 -8.859 3.593 -1.292 552 HB2 ASN 70 HB2 ASN 70 -10.007 4.459 0.850 553 HB3 ASN 70 HB1 ASN 70 -8.724 5.669 0.902 554 HD21 ASN 70 HD21 ASN 70 -10.094 7.475 0.359 555 HD22 ASN 70 HD22 ASN 70 -10.816 7.636 -1.170 556 H ALA 71 HN ALA 71 -6.099 3.069 -1.117 557 HA ALA 71 HA ALA 71 -4.546 5.506 -1.101 558 HB1 ALA 71 HB1 ALA 71 -3.737 3.063 -0.785 559 HB2 ALA 71 HB2 ALA 71 -2.716 4.153 -1.722 560 HB3 ALA 71 HB3 ALA 71 -3.745 2.980 -2.545 561 H ARG 72 HN ARG 72 -3.768 6.690 -2.872 562 HA ARG 72 HA ARG 72 -5.366 6.393 -5.372 563 HB2 ARG 72 HB2 ARG 72 -5.440 8.572 -4.176 564 HB3 ARG 72 HB1 ARG 72 -3.696 8.728 -4.393 565 HG2 ARG 72 HG2 ARG 72 -3.939 8.742 -6.804 566 HG3 ARG 72 HG1 ARG 72 -5.663 8.390 -6.675 567 HD2 ARG 72 HD2 ARG 72 -5.398 10.768 -7.085 568 HD3 ARG 72 HD1 ARG 72 -5.948 10.550 -5.425 569 HE ARG 72 HE ARG 72 -3.073 10.638 -5.514 570 HH11 ARG 72 HH21 ARG 72 -5.929 12.564 -5.775 571 HH12 ARG 72 HH22 ARG 72 -5.155 14.014 -5.225 572 HH21 ARG 72 HH11 ARG 72 -2.058 12.521 -4.801 573 HH22 ARG 72 HH12 ARG 72 -2.969 13.990 -4.675 574 H VAL 73 HN VAL 73 -4.376 5.482 -7.062 575 HA VAL 73 HA VAL 73 -1.474 5.049 -7.045 576 HB VAL 73 HB VAL 73 -3.639 4.247 -9.001 577 HG11 VAL 73 HG11 VAL 73 -1.597 4.368 -10.246 578 HG12 VAL 73 HG12 VAL 73 -1.822 2.669 -9.828 579 HG13 VAL 73 HG13 VAL 73 -0.674 3.655 -8.922 580 HG21 VAL 73 HG21 VAL 73 -2.075 2.705 -6.910 581 HG22 VAL 73 HG22 VAL 73 -3.244 2.002 -8.028 582 HG23 VAL 73 HG23 VAL 73 -3.777 3.153 -6.803 583 H ALA 74 HN ALA 74 -0.006 6.151 -8.252 584 HA ALA 74 HA ALA 74 -0.950 7.920 -10.454 585 HB1 ALA 74 HB1 ALA 74 0.659 9.689 -9.518 586 HB2 ALA 74 HB2 ALA 74 0.627 8.766 -8.016 587 HB3 ALA 74 HB3 ALA 74 -0.858 9.475 -8.649 588 H GLN 75 HN GLN 75 0.749 8.421 -11.968 589 HA GLN 75 HA GLN 75 3.114 6.582 -11.786 590 HB2 GLN 75 HB2 GLN 75 1.577 5.979 -13.594 591 HB3 GLN 75 HB1 GLN 75 1.635 7.628 -14.215 592 HG2 GLN 75 HG2 GLN 75 4.009 7.412 -14.710 593 HG3 GLN 75 HG1 GLN 75 4.054 5.818 -13.958 594 HE21 GLN 75 HE21 GLN 75 4.361 4.403 -15.705 595 HE22 GLN 75 HE22 GLN 75 3.395 4.381 -17.102 596 H PHE 76 HN PHE 76 4.899 7.711 -11.296 597 HA PHE 76 HA PHE 76 5.219 10.485 -12.394 598 HB2 PHE 76 HB2 PHE 76 6.224 9.176 -9.862 599 HB3 PHE 76 HB1 PHE 76 6.939 10.662 -10.488 600 HD1 PHE 76 HD1 PHE 76 5.535 12.710 -10.753 601 HD2 PHE 76 HD2 PHE 76 4.059 9.174 -8.812 602 HE1 PHE 76 HE1 PHE 76 3.691 14.031 -9.754 603 HE2 PHE 76 HE2 PHE 76 2.213 10.497 -7.812 604 HZ PHE 76 HZ PHE 76 2.029 12.925 -8.283 605 H ASN 77 HN ASN 77 6.749 10.752 -13.870 606 HA ASN 77 HA ASN 77 8.547 10.345 -15.288 607 HB2 ASN 77 HB2 ASN 77 9.746 10.749 -13.124 608 HB3 ASN 77 HB1 ASN 77 9.774 9.006 -12.862 609 HD21 ASN 77 HD21 ASN 77 12.269 9.978 -13.015 610 HD22 ASN 77 HD22 ASN 77 12.973 9.739 -14.542 611 H GLY 78 HN GLY 78 6.420 8.260 -15.032 612 HA2 GLY 78 HA2 GLY 78 6.110 6.292 -16.333 613 HA3 GLY 78 HA1 GLY 78 7.856 6.173 -16.530 614 H TYR 79 HN TYR 79 7.208 6.708 -13.296 615 HA TYR 79 HA TYR 79 7.358 3.771 -12.698 616 HB2 TYR 79 HB2 TYR 79 8.429 6.169 -11.196 617 HB3 TYR 79 HB1 TYR 79 8.408 4.529 -10.542 618 HD1 TYR 79 HD1 TYR 79 9.802 6.704 -13.192 619 HD2 TYR 79 HD2 TYR 79 9.904 2.824 -11.362 620 HE1 TYR 79 HE1 TYR 79 11.889 6.180 -14.426 621 HE2 TYR 79 HE2 TYR 79 11.991 2.297 -12.594 622 HH TYR 79 HH TYR 79 13.897 4.564 -14.031 623 H LEU 80 HN LEU 80 5.751 2.905 -11.536 624 HA LEU 80 HA LEU 80 3.448 4.516 -10.811 625 HB2 LEU 80 HB2 LEU 80 4.054 1.616 -10.189 626 HB3 LEU 80 HB1 LEU 80 2.471 2.391 -10.102 627 HG LEU 80 HG LEU 80 4.156 2.114 -12.611 628 HD11 LEU 80 HD11 LEU 80 1.693 0.648 -11.627 629 HD12 LEU 80 HD12 LEU 80 3.269 -0.042 -12.020 630 HD13 LEU 80 HD13 LEU 80 2.243 0.601 -13.303 631 HD21 LEU 80 HD21 LEU 80 1.805 2.798 -13.599 632 HD22 LEU 80 HD22 LEU 80 2.880 4.045 -12.983 633 HD23 LEU 80 HD23 LEU 80 1.537 3.475 -11.993 634 H SER 81 HN SER 81 2.701 5.036 -8.778 635 HA SER 81 HA SER 81 4.183 4.166 -6.392 636 HB2 SER 81 HB2 SER 81 4.727 6.419 -5.653 637 HB3 SER 81 HB1 SER 81 5.448 6.153 -7.237 638 HG SER 81 HG SER 81 3.609 7.965 -6.465 639 H LEU 82 HN LEU 82 3.045 4.842 -4.408 640 HA LEU 82 HA LEU 82 0.116 5.229 -4.917 641 HB2 LEU 82 HB2 LEU 82 1.510 4.139 -2.459 642 HB3 LEU 82 HB1 LEU 82 -0.226 4.156 -2.761 643 HG LEU 82 HG LEU 82 1.821 2.692 -4.455 644 HD11 LEU 82 HD11 LEU 82 1.443 1.751 -2.152 645 HD12 LEU 82 HD12 LEU 82 0.963 0.663 -3.453 646 HD13 LEU 82 HD13 LEU 82 -0.262 1.565 -2.561 647 HD21 LEU 82 HD21 LEU 82 -0.437 1.592 -5.247 648 HD22 LEU 82 HD22 LEU 82 0.035 3.151 -5.913 649 HD23 LEU 82 HD23 LEU 82 -1.169 3.071 -4.626 650 H SER 83 HN SER 83 -0.855 7.026 -4.185 651 HA SER 83 HA SER 83 0.725 8.904 -2.467 652 HB2 SER 83 HB2 SER 83 0.226 9.997 -4.500 653 HB3 SER 83 HB1 SER 83 -1.390 9.304 -4.579 654 HG SER 83 HG SER 83 -2.096 10.825 -3.298 655 H VAL 84 HN VAL 84 0.000 9.187 -0.432 656 HA VAL 84 HA VAL 84 -2.742 8.220 0.262 657 HB VAL 84 HB VAL 84 -0.486 8.921 2.152 658 HG11 VAL 84 HG11 VAL 84 -2.649 8.821 3.220 659 HG12 VAL 84 HG12 VAL 84 -1.777 7.342 3.623 660 HG13 VAL 84 HG13 VAL 84 -3.039 7.312 2.393 661 HG21 VAL 84 HG21 VAL 84 -0.115 6.426 2.222 662 HG22 VAL 84 HG22 VAL 84 0.344 7.174 0.691 663 HG23 VAL 84 HG23 VAL 84 -1.174 6.286 0.820 664 H GLY 85 HN GLY 85 -4.064 9.941 -0.130 665 HA2 GLY 85 HA2 GLY 85 -3.284 12.671 0.609 666 HA3 GLY 85 HA1 GLY 85 -4.798 12.190 -0.150 667 H ASP 86 HN ASP 86 -5.148 13.962 1.753 668 HA ASP 86 HA ASP 86 -5.367 12.995 4.448 669 HB2 ASP 86 HB2 ASP 86 -6.757 15.237 2.964 670 HB3 ASP 86 HB1 ASP 86 -6.963 14.948 4.691 671 H SER 87 HN SER 87 -7.472 12.792 1.644 672 HA SER 87 HA SER 87 -9.840 11.997 3.128 673 HB2 SER 87 HB2 SER 87 -9.083 11.666 0.211 674 HB3 SER 87 HB1 SER 87 -10.683 11.336 0.868 675 HG SER 87 HG SER 87 -9.541 13.688 0.179 676 H SER 88 HN SER 88 -6.936 10.442 2.460 677 HA SER 88 HA SER 88 -8.009 7.749 2.087 678 HB2 SER 88 HB2 SER 88 -5.776 7.059 1.900 679 HB3 SER 88 HB1 SER 88 -5.724 8.710 1.288 680 HG SER 88 HG SER 88 -4.452 9.180 2.881 681 H ARG 89 HN ARG 89 -7.300 5.978 3.641 682 HA ARG 89 HA ARG 89 -7.430 6.937 6.492 683 HB2 ARG 89 HB2 ARG 89 -8.860 4.612 5.182 684 HB3 ARG 89 HB1 ARG 89 -8.745 4.825 6.929 685 HG2 ARG 89 HG2 ARG 89 -9.854 7.006 6.760 686 HG3 ARG 89 HG1 ARG 89 -9.923 6.852 5.004 687 HD2 ARG 89 HD2 ARG 89 -12.082 6.223 5.968 688 HD3 ARG 89 HD1 ARG 89 -11.311 4.801 5.265 689 HE ARG 89 HE ARG 89 -10.599 5.006 8.036 690 HH11 ARG 89 HH21 ARG 89 -13.230 4.292 5.916 691 HH12 ARG 89 HH22 ARG 89 -14.011 3.228 7.037 692 HH21 ARG 89 HH11 ARG 89 -11.608 3.625 9.501 693 HH22 ARG 89 HH12 ARG 89 -13.096 2.851 9.064 694 H ILE 90 HN ILE 90 -5.997 5.976 7.871 695 HA ILE 90 HA ILE 90 -4.320 3.728 6.800 696 HB ILE 90 HB ILE 90 -3.443 6.084 8.494 697 HG12 ILE 90 HG12 ILE 90 -2.725 5.301 5.649 698 HG13 ILE 90 HG11 ILE 90 -3.881 6.561 6.066 699 HG21 ILE 90 HG21 ILE 90 -1.971 3.661 7.416 700 HG22 ILE 90 HG22 ILE 90 -2.199 4.097 9.111 701 HG23 ILE 90 HG23 ILE 90 -1.163 5.080 8.078 702 HD11 ILE 90 HD11 ILE 90 -1.765 7.395 7.547 703 HD12 ILE 90 HD12 ILE 90 -2.027 7.897 5.879 704 HD13 ILE 90 HD13 ILE 90 -0.919 6.577 6.238 705 H GLU 91 HN GLU 91 -4.250 1.988 8.101 706 HA GLU 91 HA GLU 91 -5.147 2.284 10.953 707 HB2 GLU 91 HB2 GLU 91 -6.748 1.026 9.527 708 HB3 GLU 91 HB1 GLU 91 -5.463 -0.112 9.118 709 HG2 GLU 91 HG2 GLU 91 -5.216 -0.725 11.474 710 HG3 GLU 91 HG1 GLU 91 -6.436 0.463 11.932 711 H SER 92 HN SER 92 -3.395 2.108 12.223 712 HA SER 92 HA SER 92 -0.956 0.795 11.371 713 HB2 SER 92 HB2 SER 92 -0.810 2.700 12.852 714 HB3 SER 92 HB1 SER 92 -1.840 1.910 14.042 715 HG SER 92 HG SER 92 -0.154 0.887 14.753 716 H VAL 93 HN VAL 93 -0.023 -1.108 12.255 717 HA VAL 93 HA VAL 93 -2.003 -3.131 13.049 718 HB VAL 93 HB VAL 93 0.975 -3.283 12.521 719 HG11 VAL 93 HG11 VAL 93 0.510 -5.057 14.038 720 HG12 VAL 93 HG12 VAL 93 0.434 -5.794 12.439 721 HG13 VAL 93 HG13 VAL 93 -1.054 -5.387 13.293 722 HG21 VAL 93 HG21 VAL 93 0.097 -4.606 10.525 723 HG22 VAL 93 HG22 VAL 93 -0.243 -2.876 10.493 724 HG23 VAL 93 HG23 VAL 93 -1.509 -4.016 10.950 725 H ASN 94 HN ASN 94 -2.291 -3.901 15.075 726 HA ASN 94 HA ASN 94 -1.142 -2.518 17.324 727 HB2 ASN 94 HB2 ASN 94 -2.443 -4.066 18.683 728 HB3 ASN 94 HB1 ASN 94 -3.418 -3.516 17.320 729 HD21 ASN 94 HD21 ASN 94 -4.186 -5.904 18.496 730 HD22 ASN 94 HD22 ASN 94 -3.792 -7.214 17.489 731 H VAL 95 HN VAL 95 0.388 -3.189 18.794 732 HA VAL 95 HA VAL 95 2.490 -4.887 17.844 733 HB VAL 95 HB VAL 95 2.949 -3.044 19.357 734 HG11 VAL 95 HG11 VAL 95 1.441 -4.603 21.474 735 HG12 VAL 95 HG12 VAL 95 0.763 -3.230 20.598 736 HG13 VAL 95 HG13 VAL 95 2.166 -3.004 21.641 737 HG21 VAL 95 HG21 VAL 95 4.374 -5.131 19.412 738 HG22 VAL 95 HG22 VAL 95 3.458 -5.644 20.829 739 HG23 VAL 95 HG23 VAL 95 4.426 -4.172 20.892 740 H ASN 96 HN ASN 96 3.136 -6.931 18.531 741 HA ASN 96 HA ASN 96 1.148 -8.872 18.970 742 HB2 ASN 96 HB2 ASN 96 2.992 -10.413 19.467 743 HB3 ASN 96 HB1 ASN 96 3.398 -9.380 18.098 744 HD21 ASN 96 HD21 ASN 96 5.700 -10.064 18.865 745 HD22 ASN 96 HD22 ASN 96 6.436 -9.084 20.040 746 H ILE 97 HN ILE 97 0.600 -10.124 20.795 747 HA ILE 97 HA ILE 97 -0.061 -10.406 23.011 748 HB ILE 97 HB ILE 97 2.558 -9.040 23.689 749 HG12 ILE 97 HG12 ILE 97 2.011 -11.959 23.045 750 HG13 ILE 97 HG11 ILE 97 2.894 -10.839 22.008 751 HG21 ILE 97 HG21 ILE 97 2.420 -10.416 25.702 752 HG22 ILE 97 HG22 ILE 97 0.956 -11.197 25.102 753 HG23 ILE 97 HG23 ILE 97 0.929 -9.488 25.538 754 HD11 ILE 97 HD11 ILE 97 3.685 -11.721 24.798 755 HD12 ILE 97 HD12 ILE 97 4.526 -10.478 23.871 756 HD13 ILE 97 HD13 ILE 97 4.498 -12.144 23.291 757 HA PRO 98 HA PRO 98 -1.401 -5.919 23.093 758 HB2 PRO 98 HB2 PRO 98 -4.059 -7.260 23.313 759 HB3 PRO 98 HB1 PRO 98 -3.555 -5.923 22.259 760 HG2 PRO 98 HG2 PRO 98 -3.947 -8.363 21.275 761 HG3 PRO 98 HG1 PRO 98 -2.616 -7.344 20.689 762 HD2 PRO 98 HD2 PRO 98 -2.502 -9.646 22.627 763 HD3 PRO 98 HD1 PRO 98 -1.398 -9.244 21.290 764 H LEU 99 HN LEU 99 -2.057 -4.759 24.938 765 HA LEU 99 HA LEU 99 -1.923 -6.259 27.470 766 HB2 LEU 99 HB2 LEU 99 -1.934 -3.339 26.712 767 HB3 LEU 99 HB1 LEU 99 -2.133 -3.839 28.393 768 HG LEU 99 HG LEU 99 -0.016 -5.080 28.294 769 HD11 LEU 99 HD11 LEU 99 1.422 -4.618 26.191 770 HD12 LEU 99 HD12 LEU 99 -0.100 -4.195 25.407 771 HD13 LEU 99 HD13 LEU 99 0.140 -5.819 26.052 772 HD21 LEU 99 HD21 LEU 99 0.191 -2.233 27.261 773 HD22 LEU 99 HD22 LEU 99 1.512 -3.134 28.006 774 HD23 LEU 99 HD23 LEU 99 0.082 -2.721 28.952 775 H GLU 100 HN GLU 100 -3.772 -7.176 28.156 776 HA GLU 100 HA GLU 100 -6.380 -5.866 27.596 777 HB2 GLU 100 HB2 GLU 100 -7.360 -8.007 28.305 778 HB3 GLU 100 HB1 GLU 100 -6.155 -8.256 27.043 779 HG2 GLU 100 HG2 GLU 100 -4.470 -8.805 28.789 780 HG3 GLU 100 HG1 GLU 100 -5.718 -8.630 30.023 781 H HIS 101 HN HIS 101 -7.815 -5.316 29.239 782 HA HIS 101 HA HIS 101 -8.366 -4.381 31.303 783 HB2 HIS 101 HB2 HIS 101 -8.462 -6.860 31.773 784 HB3 HIS 101 HB1 HIS 101 -6.827 -6.734 32.430 785 HD1 HIS 101 HD1 HIS 101 -6.532 -5.508 34.681 786 HD2 HIS 101 HD2 HIS 101 -10.480 -5.566 33.343 787 HE1 HIS 101 HE1 HIS 101 -7.955 -4.712 36.617 788 H HIS 102 HN HIS 102 -6.203 -3.140 30.196 789 HA HIS 102 HA HIS 102 -3.867 -2.988 31.843 790 HB2 HIS 102 HB2 HIS 102 -3.998 -2.065 29.546 791 HB3 HIS 102 HB1 HIS 102 -5.155 -0.858 30.105 792 HD1 HIS 102 HD1 HIS 102 -4.252 1.157 31.391 793 HD2 HIS 102 HD2 HIS 102 -1.309 -1.665 30.525 794 HE1 HIS 102 HE1 HIS 102 -2.032 2.242 31.949 795 H HIS 103 HN HIS 103 -6.914 -1.133 31.834 796 HA HIS 103 HA HIS 103 -6.630 -0.619 34.694 797 HB2 HIS 103 HB2 HIS 103 -6.653 1.837 34.512 798 HB3 HIS 103 HB1 HIS 103 -5.212 1.173 33.746 799 HD1 HIS 103 HD1 HIS 103 -5.443 0.843 31.035 800 HD2 HIS 103 HD2 HIS 103 -8.152 3.450 32.837 801 HE1 HIS 103 HE1 HIS 103 -6.393 2.284 29.182 802 H HIS 104 HN HIS 104 -8.652 -1.413 35.101 803 HA HIS 104 HA HIS 104 -10.959 -0.991 33.440 804 HB2 HIS 104 HB2 HIS 104 -10.768 -2.847 35.069 805 HB3 HIS 104 HB1 HIS 104 -10.794 -1.680 36.391 806 HD1 HIS 104 HD1 HIS 104 -12.990 -2.671 33.429 807 HD2 HIS 104 HD2 HIS 104 -13.348 -1.129 37.286 808 HE1 HIS 104 HE1 HIS 104 -15.471 -2.494 33.903 809 H HIS 105 HN HIS 105 -9.808 0.619 36.417 810 HA HIS 105 HA HIS 105 -11.313 3.036 35.631 811 HB2 HIS 105 HB2 HIS 105 -12.439 3.221 37.821 812 HB3 HIS 105 HB1 HIS 105 -12.965 1.781 36.952 813 HD1 HIS 105 HD1 HIS 105 -11.689 -0.510 37.684 814 HD2 HIS 105 HD2 HIS 105 -11.381 2.694 40.332 815 HE1 HIS 105 HE1 HIS 105 -10.933 -1.480 39.898 816 H HIS 106 HN HIS 106 -10.763 4.894 37.039 817 HA HIS 106 HA HIS 106 -8.436 4.616 38.809 818 HB2 HIS 106 HB2 HIS 106 -6.971 6.061 37.525 819 HB3 HIS 106 HB1 HIS 106 -7.475 4.735 36.479 820 HD1 HIS 106 HD1 HIS 106 -9.456 5.307 34.748 821 HD2 HIS 106 HD2 HIS 106 -7.680 8.596 36.596 822 HE1 HIS 106 HE1 HIS 106 -10.107 7.338 33.380 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 -9.817 1.738 -0.804 2 H2 SER 1 HT2 SER 1 -9.280 1.880 -2.409 3 H3 SER 1 HT3 SER 1 -8.751 0.584 -1.446 4 HA SER 1 HA SER 1 -11.601 0.714 -1.601 5 HB2 SER 1 HB2 SER 1 -10.972 1.650 -3.849 6 HB3 SER 1 HB1 SER 1 -10.051 0.183 -4.159 7 HG SER 1 HG SER 1 -12.201 0.104 -4.990 8 H ASP 2 HN ASP 2 -10.801 -1.544 -3.723 9 HA ASP 2 HA ASP 2 -10.918 -3.729 -1.849 10 HB2 ASP 2 HB2 ASP 2 -10.416 -3.549 -4.826 11 HB3 ASP 2 HB1 ASP 2 -10.407 -5.091 -3.971 12 H LEU 3 HN LEU 3 -9.338 -5.201 -1.294 13 HA LEU 3 HA LEU 3 -6.624 -4.177 -1.124 14 HB2 LEU 3 HB2 LEU 3 -7.580 -5.448 0.724 15 HB3 LEU 3 HB1 LEU 3 -7.839 -6.841 -0.323 16 HG LEU 3 HG LEU 3 -5.033 -5.825 -0.325 17 HD11 LEU 3 HD11 LEU 3 -5.364 -5.448 2.000 18 HD12 LEU 3 HD12 LEU 3 -4.578 -7.021 1.878 19 HD13 LEU 3 HD13 LEU 3 -6.312 -6.925 2.185 20 HD21 LEU 3 HD21 LEU 3 -4.511 -8.125 -0.481 21 HD22 LEU 3 HD22 LEU 3 -6.042 -8.000 -1.344 22 HD23 LEU 3 HD23 LEU 3 -6.010 -8.615 0.306 23 H VAL 4 HN VAL 4 -4.982 -4.574 -2.452 24 HA VAL 4 HA VAL 4 -5.098 -6.936 -4.284 25 HB VAL 4 HB VAL 4 -4.394 -5.514 -6.177 26 HG11 VAL 4 HG11 VAL 4 -6.940 -4.479 -4.904 27 HG12 VAL 4 HG12 VAL 4 -6.810 -6.056 -5.684 28 HG13 VAL 4 HG13 VAL 4 -6.573 -4.585 -6.627 29 HG21 VAL 4 HG21 VAL 4 -4.750 -3.325 -4.116 30 HG22 VAL 4 HG22 VAL 4 -4.820 -2.998 -5.848 31 HG23 VAL 4 HG23 VAL 4 -3.345 -3.646 -5.133 32 H LYS 5 HN LYS 5 -3.027 -7.348 -5.323 33 HA LYS 5 HA LYS 5 -0.845 -7.234 -3.426 34 HB2 LYS 5 HB2 LYS 5 -1.025 -8.217 -6.279 35 HB3 LYS 5 HB1 LYS 5 0.430 -8.360 -5.298 36 HG2 LYS 5 HG2 LYS 5 -0.899 -9.595 -3.578 37 HG3 LYS 5 HG1 LYS 5 -2.288 -9.540 -4.658 38 HD2 LYS 5 HD2 LYS 5 0.371 -10.710 -5.504 39 HD3 LYS 5 HD1 LYS 5 -0.882 -11.682 -4.733 40 HE2 LYS 5 HE2 LYS 5 -2.465 -10.822 -6.562 41 HE3 LYS 5 HE1 LYS 5 -1.023 -10.233 -7.385 42 HZ1 LYS 5 HZ1 LYS 5 -0.417 -12.281 -7.961 43 HZ2 LYS 5 HZ2 LYS 5 -2.033 -12.701 -7.644 44 HZ3 LYS 5 HZ3 LYS 5 -0.838 -12.954 -6.462 45 H ILE 6 HN ILE 6 1.124 -6.194 -3.662 46 HA ILE 6 HA ILE 6 1.053 -3.523 -4.652 47 HB ILE 6 HB ILE 6 3.392 -5.290 -3.850 48 HG12 ILE 6 HG12 ILE 6 2.066 -2.980 -2.391 49 HG13 ILE 6 HG11 ILE 6 1.659 -4.671 -2.105 50 HG21 ILE 6 HG21 ILE 6 4.324 -3.612 -5.254 51 HG22 ILE 6 HG22 ILE 6 4.543 -3.000 -3.615 52 HG23 ILE 6 HG23 ILE 6 3.241 -2.373 -4.623 53 HD11 ILE 6 HD11 ILE 6 4.393 -3.407 -1.733 54 HD12 ILE 6 HD12 ILE 6 4.036 -5.119 -1.511 55 HD13 ILE 6 HD13 ILE 6 3.302 -3.920 -0.446 56 H ARG 7 HN ARG 7 2.512 -6.493 -5.929 57 HA ARG 7 HA ARG 7 3.714 -5.250 -8.229 58 HB2 ARG 7 HB2 ARG 7 4.200 -7.574 -7.139 59 HB3 ARG 7 HB1 ARG 7 2.852 -8.149 -8.119 60 HG2 ARG 7 HG2 ARG 7 4.501 -8.472 -9.701 61 HG3 ARG 7 HG1 ARG 7 4.216 -6.765 -10.034 62 HD2 ARG 7 HD2 ARG 7 6.334 -7.899 -8.182 63 HD3 ARG 7 HD1 ARG 7 6.618 -7.173 -9.765 64 HE ARG 7 HE ARG 7 5.989 -5.726 -7.270 65 HH11 ARG 7 HH21 ARG 7 6.228 -5.694 -10.730 66 HH12 ARG 7 HH22 ARG 7 6.382 -3.970 -10.820 67 HH21 ARG 7 HH11 ARG 7 6.190 -3.491 -7.396 68 HH22 ARG 7 HH12 ARG 7 6.359 -2.730 -8.943 69 H ASP 8 HN ASP 8 0.494 -6.142 -7.472 70 HA ASP 8 HA ASP 8 -0.342 -6.326 -10.316 71 HB2 ASP 8 HB2 ASP 8 -1.300 -7.864 -8.588 72 HB3 ASP 8 HB1 ASP 8 -2.025 -6.469 -7.790 73 H VAL 9 HN VAL 9 0.467 -3.847 -8.396 74 HA VAL 9 HA VAL 9 -1.797 -2.077 -8.525 75 HB VAL 9 HB VAL 9 1.177 -1.516 -8.276 76 HG11 VAL 9 HG11 VAL 9 0.256 0.495 -9.155 77 HG12 VAL 9 HG12 VAL 9 0.277 0.743 -7.408 78 HG13 VAL 9 HG13 VAL 9 -1.229 0.316 -8.221 79 HG21 VAL 9 HG21 VAL 9 -0.182 -2.758 -6.445 80 HG22 VAL 9 HG22 VAL 9 -0.980 -1.210 -6.178 81 HG23 VAL 9 HG23 VAL 9 0.762 -1.354 -5.948 82 H SER 10 HN SER 10 -2.521 -0.838 -10.123 83 HA SER 10 HA SER 10 -0.834 -0.156 -12.441 84 HB2 SER 10 HB2 SER 10 -2.531 -1.082 -14.038 85 HB3 SER 10 HB1 SER 10 -1.662 -2.317 -13.135 86 HG SER 10 HG SER 10 -4.212 -2.107 -13.305 87 H LEU 11 HN LEU 11 -2.053 1.244 -13.962 88 HA LEU 11 HA LEU 11 -3.425 3.352 -12.517 89 HB2 LEU 11 HB2 LEU 11 -3.126 2.970 -15.523 90 HB3 LEU 11 HB1 LEU 11 -3.489 4.479 -14.686 91 HG LEU 11 HG LEU 11 -0.934 2.869 -14.401 92 HD11 LEU 11 HD11 LEU 11 -1.384 5.613 -15.609 93 HD12 LEU 11 HD12 LEU 11 -1.216 4.133 -16.554 94 HD13 LEU 11 HD13 LEU 11 0.130 4.709 -15.569 95 HD21 LEU 11 HD21 LEU 11 -0.286 5.115 -13.197 96 HD22 LEU 11 HD22 LEU 11 -1.192 3.899 -12.313 97 HD23 LEU 11 HD23 LEU 11 -2.026 5.300 -12.989 98 H SER 12 HN SER 12 -4.454 0.443 -13.856 99 HA SER 12 HA SER 12 -7.075 1.268 -14.817 100 HB2 SER 12 HB2 SER 12 -5.836 -1.400 -14.107 101 HB3 SER 12 HB1 SER 12 -7.530 -1.263 -14.572 102 HG SER 12 HG SER 12 -6.724 -1.370 -16.515 103 H THR 13 HN THR 13 -5.670 0.799 -11.748 104 HA THR 13 HA THR 13 -8.383 0.695 -10.446 105 HB THR 13 HB THR 13 -7.363 -0.469 -8.583 106 HG1 THR 13 HG1 THR 13 -5.023 0.159 -9.979 107 HG21 THR 13 HG21 THR 13 -6.656 -1.651 -11.279 108 HG22 THR 13 HG22 THR 13 -8.141 -1.902 -10.362 109 HG23 THR 13 HG23 THR 13 -6.617 -2.558 -9.767 110 HA PRO 14 HA PRO 14 -6.458 4.880 -9.662 111 HB2 PRO 14 HB2 PRO 14 -9.350 5.351 -8.999 112 HB3 PRO 14 HB1 PRO 14 -8.239 6.341 -9.968 113 HG2 PRO 14 HG2 PRO 14 -10.137 4.839 -11.106 114 HG3 PRO 14 HG1 PRO 14 -8.553 5.073 -11.867 115 HD2 PRO 14 HD2 PRO 14 -9.628 2.664 -10.459 116 HD3 PRO 14 HD1 PRO 14 -8.477 2.762 -11.808 117 H TYR 15 HN TYR 15 -8.914 3.150 -7.749 118 HA TYR 15 HA TYR 15 -7.567 4.116 -5.242 119 HB2 TYR 15 HB2 TYR 15 -10.459 3.347 -5.712 120 HB3 TYR 15 HB1 TYR 15 -9.759 3.712 -4.135 121 HD1 TYR 15 HD1 TYR 15 -8.535 5.985 -3.877 122 HD2 TYR 15 HD2 TYR 15 -11.285 5.102 -7.058 123 HE1 TYR 15 HE1 TYR 15 -8.852 8.413 -4.279 124 HE2 TYR 15 HE2 TYR 15 -11.601 7.528 -7.458 125 HH TYR 15 HH TYR 15 -9.557 9.886 -6.158 126 H VAL 16 HN VAL 16 -6.732 2.630 -3.949 127 HA VAL 16 HA VAL 16 -7.707 -0.167 -4.007 128 HB VAL 16 HB VAL 16 -5.441 -1.085 -4.324 129 HG11 VAL 16 HG11 VAL 16 -5.358 -0.809 -6.696 130 HG12 VAL 16 HG12 VAL 16 -6.118 0.780 -6.605 131 HG13 VAL 16 HG13 VAL 16 -7.055 -0.669 -6.241 132 HG21 VAL 16 HG21 VAL 16 -4.123 0.836 -3.542 133 HG22 VAL 16 HG22 VAL 16 -4.689 1.801 -4.906 134 HG23 VAL 16 HG23 VAL 16 -3.648 0.405 -5.184 135 H SER 17 HN SER 17 -6.314 -1.481 -2.420 136 HA SER 17 HA SER 17 -5.487 0.155 -0.062 137 HB2 SER 17 HB2 SER 17 -7.289 -2.283 0.041 138 HB3 SER 17 HB1 SER 17 -6.698 -1.373 1.428 139 HG SER 17 HG SER 17 -8.542 -0.370 1.085 140 H VAL 18 HN VAL 18 -3.712 -0.618 0.942 141 HA VAL 18 HA VAL 18 -2.752 -3.369 0.305 142 HB VAL 18 HB VAL 18 -0.475 -2.481 -0.106 143 HG11 VAL 18 HG11 VAL 18 -2.523 -1.208 -1.940 144 HG12 VAL 18 HG12 VAL 18 -2.152 -2.931 -1.943 145 HG13 VAL 18 HG13 VAL 18 -0.902 -1.761 -2.366 146 HG21 VAL 18 HG21 VAL 18 -0.621 -0.357 1.089 147 HG22 VAL 18 HG22 VAL 18 -1.900 0.200 0.009 148 HG23 VAL 18 HG23 VAL 18 -0.265 -0.034 -0.608 149 H ILE 19 HN ILE 19 -0.993 -4.036 1.713 150 HA ILE 19 HA ILE 19 -0.830 -2.590 4.316 151 HB ILE 19 HB ILE 19 -2.590 -4.354 4.478 152 HG12 ILE 19 HG12 ILE 19 -0.092 -5.095 6.023 153 HG13 ILE 19 HG11 ILE 19 -1.068 -3.672 6.391 154 HG21 ILE 19 HG21 ILE 19 -2.045 -6.673 4.237 155 HG22 ILE 19 HG22 ILE 19 -0.327 -6.318 4.057 156 HG23 ILE 19 HG23 ILE 19 -1.460 -5.870 2.780 157 HD11 ILE 19 HD11 ILE 19 -1.794 -5.482 7.833 158 HD12 ILE 19 HD12 ILE 19 -1.981 -6.563 6.451 159 HD13 ILE 19 HD13 ILE 19 -3.060 -5.181 6.644 160 H GLY 20 HN GLY 20 1.153 -2.602 5.180 161 HA2 GLY 20 HA2 GLY 20 3.111 -4.630 4.964 162 HA3 GLY 20 HA1 GLY 20 3.403 -3.510 3.637 163 H LYS 21 HN LYS 21 5.452 -3.302 4.899 164 HA LYS 21 HA LYS 21 5.206 -1.332 7.147 165 HB2 LYS 21 HB2 LYS 21 7.418 -2.058 7.846 166 HB3 LYS 21 HB1 LYS 21 6.374 -3.467 7.686 167 HG2 LYS 21 HG2 LYS 21 7.305 -3.832 5.386 168 HG3 LYS 21 HG1 LYS 21 8.430 -2.507 5.670 169 HD2 LYS 21 HD2 LYS 21 9.354 -3.703 7.623 170 HD3 LYS 21 HD1 LYS 21 8.249 -5.045 7.314 171 HE2 LYS 21 HE2 LYS 21 9.258 -5.377 5.092 172 HE3 LYS 21 HE1 LYS 21 10.354 -4.025 5.384 173 HZ1 LYS 21 HZ1 LYS 21 11.441 -5.190 7.078 174 HZ2 LYS 21 HZ2 LYS 21 11.241 -6.334 5.839 175 HZ3 LYS 21 HZ3 LYS 21 10.220 -6.360 7.197 176 H ILE 22 HN ILE 22 6.078 0.631 6.916 177 HA ILE 22 HA ILE 22 7.215 1.349 4.263 178 HB ILE 22 HB ILE 22 6.139 3.028 6.551 179 HG12 ILE 22 HG12 ILE 22 4.456 3.632 4.749 180 HG13 ILE 22 HG11 ILE 22 5.166 2.361 3.756 181 HG21 ILE 22 HG21 ILE 22 7.451 3.805 3.946 182 HG22 ILE 22 HG22 ILE 22 7.877 4.312 5.578 183 HG23 ILE 22 HG23 ILE 22 6.391 4.897 4.837 184 HD11 ILE 22 HD11 ILE 22 4.354 0.658 5.101 185 HD12 ILE 22 HD12 ILE 22 3.073 1.847 5.284 186 HD13 ILE 22 HD13 ILE 22 4.286 1.668 6.546 187 H THR 23 HN THR 23 9.273 1.909 4.005 188 HA THR 23 HA THR 23 10.964 2.501 6.393 189 HB THR 23 HB THR 23 11.389 0.174 5.917 190 HG1 THR 23 HG1 THR 23 13.611 0.616 4.812 191 HG21 THR 23 HG21 THR 23 11.966 0.995 3.057 192 HG22 THR 23 HG22 THR 23 10.474 0.213 3.581 193 HG23 THR 23 HG23 THR 23 12.012 -0.640 3.718 194 H GLY 24 HN GLY 24 12.939 3.601 5.843 195 HA2 GLY 24 HA2 GLY 24 14.357 4.845 4.319 196 HA3 GLY 24 HA1 GLY 24 13.031 4.908 3.161 197 H ILE 25 HN ILE 25 11.052 6.097 4.032 198 HA ILE 25 HA ILE 25 10.092 8.121 4.677 199 HB ILE 25 HB ILE 25 12.184 8.142 6.858 200 HG12 ILE 25 HG12 ILE 25 11.144 5.948 6.890 201 HG13 ILE 25 HG11 ILE 25 10.435 6.904 8.189 202 HG21 ILE 25 HG21 ILE 25 10.332 9.292 8.093 203 HG22 ILE 25 HG22 ILE 25 9.386 9.285 6.605 204 HG23 ILE 25 HG23 ILE 25 10.893 10.197 6.688 205 HD11 ILE 25 HD11 ILE 25 8.570 5.901 7.149 206 HD12 ILE 25 HD12 ILE 25 9.224 6.165 5.534 207 HD13 ILE 25 HD13 ILE 25 8.602 7.524 6.464 208 H HIS 26 HN HIS 26 10.275 10.047 3.780 209 HA HIS 26 HA HIS 26 12.848 11.491 3.791 210 HB2 HIS 26 HB2 HIS 26 12.736 9.999 1.696 211 HB3 HIS 26 HB1 HIS 26 11.436 11.061 1.150 212 HD1 HIS 26 HD1 HIS 26 13.502 13.174 3.073 213 HD2 HIS 26 HD2 HIS 26 13.875 11.544 -0.745 214 HE1 HIS 26 HE1 HIS 26 15.190 14.608 1.846 215 H LYS 27 HN LYS 27 12.550 13.657 3.810 216 HA LYS 27 HA LYS 27 9.719 14.640 3.765 217 HB2 LYS 27 HB2 LYS 27 11.007 14.923 5.879 218 HB3 LYS 27 HB1 LYS 27 12.183 15.909 5.009 219 HG2 LYS 27 HG2 LYS 27 10.415 17.516 4.416 220 HG3 LYS 27 HG1 LYS 27 9.219 16.517 5.242 221 HD2 LYS 27 HD2 LYS 27 10.445 16.813 7.372 222 HD3 LYS 27 HD1 LYS 27 11.623 17.832 6.545 223 HE2 LYS 27 HE2 LYS 27 9.864 19.445 5.972 224 HE3 LYS 27 HE1 LYS 27 8.652 18.417 6.734 225 HZ1 LYS 27 HZ1 LYS 27 9.089 19.552 8.581 226 HZ2 LYS 27 HZ2 LYS 27 10.493 20.253 7.931 227 HZ3 LYS 27 HZ3 LYS 27 10.563 18.717 8.652 228 H LYS 28 HN LYS 28 9.106 15.970 2.235 229 HA LYS 28 HA LYS 28 11.087 17.643 0.775 230 HB2 LYS 28 HB2 LYS 28 9.169 15.665 -0.472 231 HB3 LYS 28 HB1 LYS 28 9.878 17.008 -1.374 232 HG2 LYS 28 HG2 LYS 28 12.133 16.216 -0.800 233 HG3 LYS 28 HG1 LYS 28 11.439 14.879 0.116 234 HD2 LYS 28 HD2 LYS 28 10.617 13.812 -1.816 235 HD3 LYS 28 HD1 LYS 28 10.732 15.279 -2.791 236 HE2 LYS 28 HE2 LYS 28 13.162 13.914 -1.616 237 HE3 LYS 28 HE1 LYS 28 12.538 13.524 -3.217 238 HZ1 LYS 28 HZ1 LYS 28 14.269 15.197 -3.340 239 HZ2 LYS 28 HZ2 LYS 28 13.398 16.214 -2.293 240 HZ3 LYS 28 HZ3 LYS 28 12.784 15.850 -3.835 241 H GLU 29 HN GLU 29 10.114 19.398 -0.359 242 HA GLU 29 HA GLU 29 7.452 20.213 0.769 243 HB2 GLU 29 HB2 GLU 29 9.851 21.886 -0.055 244 HB3 GLU 29 HB1 GLU 29 8.290 22.542 0.439 245 HG2 GLU 29 HG2 GLU 29 9.494 22.581 2.451 246 HG3 GLU 29 HG1 GLU 29 8.611 21.065 2.580 247 H TYR 30 HN TYR 30 5.937 21.028 -0.566 248 HA TYR 30 HA TYR 30 6.553 21.409 -3.451 249 HB2 TYR 30 HB2 TYR 30 4.768 19.961 -4.176 250 HB3 TYR 30 HB1 TYR 30 5.810 19.026 -3.107 251 HD1 TYR 30 HD2 TYR 30 5.124 18.753 -0.658 252 HD2 TYR 30 HD1 TYR 30 2.473 20.283 -3.673 253 HE1 TYR 30 HE2 TYR 30 3.178 18.262 0.800 254 HE2 TYR 30 HE1 TYR 30 0.530 19.791 -2.216 255 HH TYR 30 HH TYR 30 -0.152 18.876 -0.311 256 H GLU 31 HN GLU 31 4.767 22.483 -4.568 257 HA GLU 31 HA GLU 31 3.476 24.476 -2.787 258 HB2 GLU 31 HB2 GLU 31 4.803 25.222 -4.765 259 HB3 GLU 31 HB1 GLU 31 3.647 24.401 -5.817 260 HG2 GLU 31 HG2 GLU 31 1.827 25.799 -4.955 261 HG3 GLU 31 HG1 GLU 31 2.940 26.586 -3.837 262 H SER 32 HN SER 32 1.596 23.795 -2.023 263 HA SER 32 HA SER 32 -0.262 22.173 -3.643 264 HB2 SER 32 HB2 SER 32 -1.362 21.710 -1.643 265 HB3 SER 32 HB1 SER 32 0.253 22.048 -1.028 266 HG SER 32 HG SER 32 -1.148 23.284 0.148 267 H ASP 33 HN ASP 33 -2.673 23.194 -2.639 268 HA ASP 33 HA ASP 33 -3.407 25.121 -4.536 269 HB2 ASP 33 HB2 ASP 33 -4.907 23.662 -3.042 270 HB3 ASP 33 HB1 ASP 33 -4.712 24.911 -1.811 271 H GLY 34 HN GLY 34 -1.610 26.615 -4.423 272 HA2 GLY 34 HA2 GLY 34 -0.686 28.695 -3.905 273 HA3 GLY 34 HA1 GLY 34 -2.248 29.086 -3.182 274 H THR 35 HN THR 35 -0.909 26.281 -1.873 275 HA THR 35 HA THR 35 0.349 27.792 0.397 276 HB THR 35 HB THR 35 -1.573 25.459 0.632 277 HG1 THR 35 HG1 THR 35 -1.977 27.991 1.730 278 HG21 THR 35 HG21 THR 35 -1.375 26.149 3.100 279 HG22 THR 35 HG22 THR 35 0.074 27.028 2.614 280 HG23 THR 35 HG23 THR 35 -0.009 25.280 2.404 281 H THR 36 HN THR 36 2.246 27.026 1.006 282 HA THR 36 HA THR 36 3.406 24.698 -0.335 283 HB THR 36 HB THR 36 4.588 26.381 1.900 284 HG1 THR 36 HG1 THR 36 4.167 26.849 -0.786 285 HG21 THR 36 HG21 THR 36 6.724 25.627 0.726 286 HG22 THR 36 HG22 THR 36 5.721 24.476 -0.155 287 HG23 THR 36 HG23 THR 36 5.846 24.372 1.601 288 H LYS 37 HN LYS 37 3.431 22.699 0.450 289 HA LYS 37 HA LYS 37 3.028 22.244 3.381 290 HB2 LYS 37 HB2 LYS 37 1.519 20.922 1.112 291 HB3 LYS 37 HB1 LYS 37 1.509 20.338 2.776 292 HG2 LYS 37 HG2 LYS 37 0.637 22.518 3.533 293 HG3 LYS 37 HG1 LYS 37 0.630 23.092 1.866 294 HD2 LYS 37 HD2 LYS 37 -0.954 21.299 1.254 295 HD3 LYS 37 HD1 LYS 37 -0.956 20.735 2.925 296 HE2 LYS 37 HE2 LYS 37 -1.809 22.949 3.655 297 HE3 LYS 37 HE1 LYS 37 -1.853 23.471 1.971 298 HZ1 LYS 37 HZ1 LYS 37 -4.011 22.661 2.789 299 HZ2 LYS 37 HZ2 LYS 37 -3.326 21.128 3.043 300 HZ3 LYS 37 HZ3 LYS 37 -3.435 21.762 1.471 301 H SER 38 HN SER 38 3.989 20.408 4.174 302 HA SER 38 HA SER 38 6.252 19.391 2.621 303 HB2 SER 38 HB2 SER 38 6.916 18.305 4.685 304 HB3 SER 38 HB1 SER 38 6.399 19.943 5.068 305 HG SER 38 HG SER 38 5.101 18.971 6.409 306 H VAL 39 HN VAL 39 6.598 17.234 2.091 307 HA VAL 39 HA VAL 39 4.229 15.406 2.241 308 HB VAL 39 HB VAL 39 4.493 16.517 -0.030 309 HG11 VAL 39 HG11 VAL 39 7.010 16.456 -0.024 310 HG12 VAL 39 HG12 VAL 39 6.281 15.785 -1.480 311 HG13 VAL 39 HG13 VAL 39 6.920 14.707 -0.243 312 HG21 VAL 39 HG21 VAL 39 4.847 13.510 0.084 313 HG22 VAL 39 HG22 VAL 39 4.092 14.422 -1.223 314 HG23 VAL 39 HG23 VAL 39 3.325 14.357 0.364 315 H TYR 40 HN TYR 40 4.689 13.415 2.861 316 HA TYR 40 HA TYR 40 7.531 12.707 3.402 317 HB2 TYR 40 HB2 TYR 40 4.920 11.505 4.385 318 HB3 TYR 40 HB1 TYR 40 6.516 10.882 4.794 319 HD1 TYR 40 HD1 TYR 40 4.256 13.812 5.109 320 HD2 TYR 40 HD2 TYR 40 7.919 11.976 6.405 321 HE1 TYR 40 HE1 TYR 40 4.449 15.481 6.933 322 HE2 TYR 40 HE2 TYR 40 8.110 13.647 8.228 323 HH TYR 40 HH TYR 40 7.238 16.056 8.610 324 H GLN 41 HN GLN 41 8.516 11.134 2.308 325 HA GLN 41 HA GLN 41 6.896 9.338 0.536 326 HB2 GLN 41 HB2 GLN 41 9.449 10.822 -0.156 327 HB3 GLN 41 HB1 GLN 41 8.740 9.543 -1.143 328 HG2 GLN 41 HG2 GLN 41 6.662 10.847 -1.361 329 HG3 GLN 41 HG1 GLN 41 7.358 12.130 -0.372 330 HE21 GLN 41 HE21 GLN 41 7.783 13.824 -1.819 331 HE22 GLN 41 HE22 GLN 41 8.624 13.652 -3.285 332 H GLY 42 HN GLY 42 7.772 7.299 0.186 333 HA2 GLY 42 HA2 GLY 42 10.311 6.442 1.231 334 HA3 GLY 42 HA1 GLY 42 9.020 6.033 2.357 335 H TYR 43 HN TYR 43 9.887 3.852 1.754 336 HA TYR 43 HA TYR 43 8.479 2.768 -0.669 337 HB2 TYR 43 HB2 TYR 43 11.112 1.930 0.584 338 HB3 TYR 43 HB1 TYR 43 10.269 1.004 -0.658 339 HD1 TYR 43 HD2 TYR 43 12.021 4.188 0.070 340 HD2 TYR 43 HD1 TYR 43 10.197 1.740 -2.953 341 HE1 TYR 43 HE2 TYR 43 13.018 5.621 -1.694 342 HE2 TYR 43 HE1 TYR 43 11.194 3.171 -4.714 343 HH TYR 43 HH TYR 43 12.037 5.512 -4.925 344 H ILE 44 HN ILE 44 7.220 1.021 -0.362 345 HA ILE 44 HA ILE 44 6.943 -0.032 2.435 346 HB ILE 44 HB ILE 44 4.960 1.197 1.547 347 HG12 ILE 44 HG12 ILE 44 4.426 -1.774 1.774 348 HG13 ILE 44 HG11 ILE 44 4.853 -0.774 3.161 349 HG21 ILE 44 HG21 ILE 44 3.726 0.374 -0.325 350 HG22 ILE 44 HG22 ILE 44 4.696 -1.096 -0.409 351 HG23 ILE 44 HG23 ILE 44 5.405 0.455 -0.858 352 HD11 ILE 44 HD11 ILE 44 2.913 0.709 2.643 353 HD12 ILE 44 HD12 ILE 44 2.427 -0.944 3.023 354 HD13 ILE 44 HD13 ILE 44 2.454 -0.396 1.347 355 H GLU 45 HN GLU 45 7.135 -2.174 2.743 356 HA GLU 45 HA GLU 45 7.531 -3.917 0.321 357 HB2 GLU 45 HB2 GLU 45 8.848 -4.392 2.999 358 HB3 GLU 45 HB1 GLU 45 9.289 -5.036 1.417 359 HG2 GLU 45 HG2 GLU 45 9.923 -2.763 0.671 360 HG3 GLU 45 HG1 GLU 45 9.509 -2.131 2.260 361 H ASP 46 HN ASP 46 6.780 -6.006 0.434 362 HA ASP 46 HA ASP 46 5.232 -6.906 2.794 363 HB2 ASP 46 HB2 ASP 46 3.736 -5.537 1.202 364 HB3 ASP 46 HB1 ASP 46 3.937 -6.864 0.060 365 H ASP 47 HN ASP 47 3.986 -9.058 1.582 366 HA ASP 47 HA ASP 47 6.090 -10.987 1.428 367 HB2 ASP 47 HB2 ASP 47 3.814 -11.562 2.169 368 HB3 ASP 47 HB1 ASP 47 3.182 -11.193 0.564 369 H THR 48 HN THR 48 4.144 -9.357 -1.026 370 HA THR 48 HA THR 48 5.191 -10.871 -3.265 371 HB THR 48 HB THR 48 4.228 -8.844 -4.570 372 HG1 THR 48 HG1 THR 48 2.962 -7.469 -3.364 373 HG21 THR 48 HG21 THR 48 2.627 -10.632 -2.744 374 HG22 THR 48 HG22 THR 48 2.900 -10.789 -4.480 375 HG23 THR 48 HG23 THR 48 1.845 -9.520 -3.866 376 H ALA 49 HN ALA 49 5.421 -7.366 -3.157 377 HA ALA 49 HA ALA 49 8.396 -7.495 -3.266 378 HB1 ALA 49 HB1 ALA 49 7.304 -7.561 -5.614 379 HB2 ALA 49 HB2 ALA 49 8.549 -6.347 -5.329 380 HB3 ALA 49 HB3 ALA 49 6.846 -5.886 -5.306 381 H ARG 50 HN ARG 50 8.208 -4.661 -4.317 382 HA ARG 50 HA ARG 50 7.005 -3.216 -2.043 383 HB2 ARG 50 HB2 ARG 50 9.090 -2.082 -1.448 384 HB3 ARG 50 HB1 ARG 50 9.290 -3.824 -1.279 385 HG2 ARG 50 HG2 ARG 50 10.387 -3.909 -3.499 386 HG3 ARG 50 HG1 ARG 50 10.214 -2.160 -3.647 387 HD2 ARG 50 HD2 ARG 50 11.579 -1.839 -1.617 388 HD3 ARG 50 HD1 ARG 50 11.744 -3.585 -1.451 389 HE ARG 50 HE ARG 50 13.288 -3.590 -3.269 390 HH11 ARG 50 HH21 ARG 50 11.751 -0.516 -2.816 391 HH12 ARG 50 HH22 ARG 50 12.843 0.318 -3.870 392 HH21 ARG 50 HH11 ARG 50 14.711 -2.499 -4.627 393 HH22 ARG 50 HH12 ARG 50 14.511 -0.798 -4.890 394 H ILE 51 HN ILE 51 6.960 -0.915 -2.388 395 HA ILE 51 HA ILE 51 7.687 0.093 -5.059 396 HB ILE 51 HB ILE 51 5.459 -0.985 -5.367 397 HG12 ILE 51 HG12 ILE 51 5.244 2.031 -5.489 398 HG13 ILE 51 HG11 ILE 51 6.259 1.107 -6.597 399 HG21 ILE 51 HG21 ILE 51 4.464 1.158 -3.462 400 HG22 ILE 51 HG22 ILE 51 4.662 -0.538 -3.020 401 HG23 ILE 51 HG23 ILE 51 3.502 -0.081 -4.266 402 HD11 ILE 51 HD11 ILE 51 4.322 -0.168 -7.366 403 HD12 ILE 51 HD12 ILE 51 3.999 1.557 -7.542 404 HD13 ILE 51 HD13 ILE 51 3.285 0.659 -6.202 405 H ARG 52 HN ARG 52 7.392 2.368 -5.248 406 HA ARG 52 HA ARG 52 8.058 3.800 -2.819 407 HB2 ARG 52 HB2 ARG 52 8.938 4.290 -5.163 408 HB3 ARG 52 HB1 ARG 52 7.363 5.009 -5.507 409 HG2 ARG 52 HG2 ARG 52 7.640 6.564 -3.633 410 HG3 ARG 52 HG1 ARG 52 9.190 5.828 -3.232 411 HD2 ARG 52 HD2 ARG 52 9.587 7.861 -4.511 412 HD3 ARG 52 HD1 ARG 52 10.031 6.468 -5.498 413 HE ARG 52 HE ARG 52 7.280 7.509 -5.842 414 HH11 ARG 52 HH21 ARG 52 10.565 7.318 -6.961 415 HH12 ARG 52 HH22 ARG 52 10.163 7.820 -8.569 416 HH21 ARG 52 HH11 ARG 52 6.778 8.160 -7.923 417 HH22 ARG 52 HH12 ARG 52 8.032 8.295 -9.110 418 H ILE 53 HN ILE 53 6.834 5.265 -1.715 419 HA ILE 53 HA ILE 53 3.969 5.612 -2.516 420 HB ILE 53 HB ILE 53 3.329 5.319 -0.144 421 HG12 ILE 53 HG12 ILE 53 6.155 4.313 0.306 422 HG13 ILE 53 HG11 ILE 53 5.659 5.944 0.741 423 HG21 ILE 53 HG21 ILE 53 3.499 2.915 -0.117 424 HG22 ILE 53 HG22 ILE 53 4.943 2.951 -1.129 425 HG23 ILE 53 HG23 ILE 53 3.380 3.409 -1.804 426 HD11 ILE 53 HD11 ILE 53 3.938 5.074 2.228 427 HD12 ILE 53 HD12 ILE 53 5.501 4.380 2.654 428 HD13 ILE 53 HD13 ILE 53 4.326 3.423 1.750 429 H SER 54 HN SER 54 2.955 7.457 -1.464 430 HA SER 54 HA SER 54 4.782 9.493 -0.316 431 HB2 SER 54 HB2 SER 54 3.037 10.038 -2.729 432 HB3 SER 54 HB1 SER 54 4.043 11.210 -1.880 433 HG SER 54 HG SER 54 4.737 9.176 -3.633 434 H SER 55 HN SER 55 3.807 10.778 1.138 435 HA SER 55 HA SER 55 0.822 10.745 1.347 436 HB2 SER 55 HB2 SER 55 0.830 10.011 3.534 437 HB3 SER 55 HB1 SER 55 2.287 9.192 2.988 438 HG SER 55 HG SER 55 2.019 11.578 4.474 439 H PHE 56 HN PHE 56 -0.035 12.666 1.783 440 HA PHE 56 HA PHE 56 1.799 14.998 2.018 441 HB2 PHE 56 HB2 PHE 56 -1.196 14.894 1.529 442 HB3 PHE 56 HB1 PHE 56 -0.172 16.326 1.422 443 HD1 PHE 56 HD2 PHE 56 1.707 16.375 -0.285 444 HD2 PHE 56 HD1 PHE 56 -1.362 13.368 -0.297 445 HE1 PHE 56 HE2 PHE 56 2.267 15.810 -2.635 446 HE2 PHE 56 HE1 PHE 56 -0.803 12.809 -2.646 447 HZ PHE 56 HZ PHE 56 1.012 14.027 -3.815 448 H GLY 57 HN GLY 57 2.139 15.969 3.869 449 HA2 GLY 57 HA2 GLY 57 1.817 16.834 6.016 450 HA3 GLY 57 HA1 GLY 57 0.096 16.495 5.838 451 H LYS 58 HN LYS 58 0.339 13.690 5.370 452 HA LYS 58 HA LYS 58 0.431 12.760 8.091 453 HB2 LYS 58 HB2 LYS 58 0.444 11.133 5.529 454 HB3 LYS 58 HB1 LYS 58 0.019 10.541 7.130 455 HG2 LYS 58 HG2 LYS 58 -1.451 12.859 5.874 456 HG3 LYS 58 HG1 LYS 58 -1.932 11.192 5.565 457 HD2 LYS 58 HD2 LYS 58 -2.132 10.839 8.031 458 HD3 LYS 58 HD1 LYS 58 -1.774 12.541 8.280 459 HE2 LYS 58 HE2 LYS 58 -3.738 13.178 6.958 460 HE3 LYS 58 HE1 LYS 58 -4.108 11.475 6.686 461 HZ1 LYS 58 HZ1 LYS 58 -4.318 11.180 9.081 462 HZ2 LYS 58 HZ2 LYS 58 -5.402 12.359 8.515 463 HZ3 LYS 58 HZ3 LYS 58 -3.987 12.826 9.330 464 H GLN 59 HN GLN 59 2.005 11.876 9.229 465 HA GLN 59 HA GLN 59 4.704 11.709 7.985 466 HB2 GLN 59 HB2 GLN 59 4.432 13.058 10.049 467 HB3 GLN 59 HB1 GLN 59 3.890 11.614 10.908 468 HG2 GLN 59 HG2 GLN 59 6.015 10.519 10.545 469 HG3 GLN 59 HG1 GLN 59 6.556 11.820 9.486 470 HE21 GLN 59 HE21 GLN 59 8.045 11.107 11.813 471 HE22 GLN 59 HE22 GLN 59 7.959 12.388 12.925 472 H LEU 60 HN LEU 60 5.970 9.894 8.160 473 HA LEU 60 HA LEU 60 4.650 7.359 9.062 474 HB2 LEU 60 HB2 LEU 60 6.282 7.784 6.538 475 HB3 LEU 60 HB1 LEU 60 5.693 6.230 7.120 476 HG LEU 60 HG LEU 60 3.903 8.590 6.472 477 HD11 LEU 60 HD11 LEU 60 3.342 7.429 4.416 478 HD12 LEU 60 HD12 LEU 60 4.377 6.073 4.853 479 HD13 LEU 60 HD13 LEU 60 5.092 7.640 4.472 480 HD21 LEU 60 HD21 LEU 60 3.450 5.758 7.415 481 HD22 LEU 60 HD22 LEU 60 2.239 6.532 6.398 482 HD23 LEU 60 HD23 LEU 60 2.672 7.249 7.942 483 H GLN 61 HN GLN 61 6.066 5.756 9.782 484 HA GLN 61 HA GLN 61 8.797 6.745 10.551 485 HB2 GLN 61 HB2 GLN 61 6.868 4.922 12.006 486 HB3 GLN 61 HB1 GLN 61 8.559 5.110 12.464 487 HG2 GLN 61 HG2 GLN 61 8.218 7.530 12.751 488 HG3 GLN 61 HG1 GLN 61 6.528 7.352 12.279 489 HE21 GLN 61 HE21 GLN 61 5.339 7.612 14.181 490 HE22 GLN 61 HE22 GLN 61 5.657 6.804 15.640 491 H ASP 62 HN ASP 62 10.434 5.148 10.709 492 HA ASP 62 HA ASP 62 10.634 3.463 8.437 493 HB2 ASP 62 HB2 ASP 62 12.587 4.428 9.612 494 HB3 ASP 62 HB1 ASP 62 12.261 3.391 10.999 495 H SER 63 HN SER 63 10.294 1.361 8.123 496 HA SER 63 HA SER 63 9.322 -0.740 8.363 497 HB2 SER 63 HB2 SER 63 11.267 -1.329 9.555 498 HB3 SER 63 HB1 SER 63 10.813 -0.364 10.957 499 HG SER 63 HG SER 63 9.633 -2.762 10.005 500 H ASP 64 HN ASP 64 7.680 1.599 9.072 501 HA ASP 64 HA ASP 64 6.070 0.816 11.401 502 HB2 ASP 64 HB2 ASP 64 6.377 3.186 10.572 503 HB3 ASP 64 HB1 ASP 64 5.340 2.785 9.210 504 H VAL 65 HN VAL 65 4.828 -0.924 11.304 505 HA VAL 65 HA VAL 65 3.728 -1.956 8.789 506 HB VAL 65 HB VAL 65 3.075 -2.925 11.585 507 HG11 VAL 65 HG11 VAL 65 2.634 -5.012 10.475 508 HG12 VAL 65 HG12 VAL 65 3.343 -4.429 8.970 509 HG13 VAL 65 HG13 VAL 65 1.816 -3.758 9.543 510 HG21 VAL 65 HG21 VAL 65 5.009 -4.500 11.264 511 HG22 VAL 65 HG22 VAL 65 5.507 -2.818 11.448 512 HG23 VAL 65 HG23 VAL 65 5.485 -3.562 9.851 513 H VAL 66 HN VAL 66 2.102 -0.783 7.978 514 HA VAL 66 HA VAL 66 -0.321 -0.377 9.658 515 HB VAL 66 HB VAL 66 -0.596 1.900 8.990 516 HG11 VAL 66 HG11 VAL 66 2.353 1.661 9.611 517 HG12 VAL 66 HG12 VAL 66 1.105 1.346 10.816 518 HG13 VAL 66 HG13 VAL 66 1.243 2.945 10.087 519 HG21 VAL 66 HG21 VAL 66 1.242 2.988 7.553 520 HG22 VAL 66 HG22 VAL 66 0.121 1.917 6.713 521 HG23 VAL 66 HG23 VAL 66 1.734 1.345 7.138 522 H ARG 67 HN ARG 67 -2.216 0.144 8.318 523 HA ARG 67 HA ARG 67 -2.058 -1.158 5.618 524 HB2 ARG 67 HB2 ARG 67 -3.350 -2.446 7.308 525 HB3 ARG 67 HB1 ARG 67 -4.423 -1.057 7.513 526 HG2 ARG 67 HG2 ARG 67 -5.027 -1.155 5.127 527 HG3 ARG 67 HG1 ARG 67 -3.929 -2.510 4.897 528 HD2 ARG 67 HD2 ARG 67 -6.187 -3.373 5.140 529 HD3 ARG 67 HD1 ARG 67 -5.258 -3.803 6.576 530 HE ARG 67 HE ARG 67 -6.583 -2.296 7.855 531 HH11 ARG 67 HH21 ARG 67 -7.169 -2.017 4.445 532 HH12 ARG 67 HH22 ARG 67 -8.585 -1.039 4.652 533 HH21 ARG 67 HH11 ARG 67 -8.423 -1.042 8.113 534 HH22 ARG 67 HH12 ARG 67 -9.291 -0.491 6.720 535 H ILE 68 HN ILE 68 -2.573 0.064 3.960 536 HA ILE 68 HA ILE 68 -3.909 2.707 4.432 537 HB ILE 68 HB ILE 68 -2.179 1.804 2.102 538 HG12 ILE 68 HG12 ILE 68 -1.530 3.746 4.344 539 HG13 ILE 68 HG11 ILE 68 -0.987 2.068 4.319 540 HG21 ILE 68 HG21 ILE 68 -2.216 4.228 1.547 541 HG22 ILE 68 HG22 ILE 68 -3.338 4.498 2.879 542 HG23 ILE 68 HG23 ILE 68 -3.830 3.523 1.496 543 HD11 ILE 68 HD11 ILE 68 0.165 2.467 2.173 544 HD12 ILE 68 HD12 ILE 68 0.755 3.567 3.418 545 HD13 ILE 68 HD13 ILE 68 -0.376 4.145 2.195 546 H ASP 69 HN ASP 69 -5.839 3.041 3.575 547 HA ASP 69 HA ASP 69 -6.873 1.196 1.444 548 HB2 ASP 69 HB2 ASP 69 -7.892 0.740 3.678 549 HB3 ASP 69 HB1 ASP 69 -8.450 2.409 3.734 550 H ASN 70 HN ASN 70 -7.989 2.135 -0.183 551 HA ASN 70 HA ASN 70 -8.914 3.759 -1.570 552 HB2 ASN 70 HB2 ASN 70 -10.000 4.450 0.689 553 HB3 ASN 70 HB1 ASN 70 -8.810 5.751 0.693 554 HD21 ASN 70 HD21 ASN 70 -10.277 7.485 0.254 555 HD22 ASN 70 HD22 ASN 70 -11.131 7.618 -1.206 556 H ALA 71 HN ALA 71 -6.087 3.335 -1.315 557 HA ALA 71 HA ALA 71 -4.710 5.900 -1.371 558 HB1 ALA 71 HB1 ALA 71 -3.903 3.087 -2.132 559 HB2 ALA 71 HB2 ALA 71 -3.388 4.025 -0.733 560 HB3 ALA 71 HB3 ALA 71 -2.823 4.467 -2.340 561 H ARG 72 HN ARG 72 -4.088 7.078 -3.109 562 HA ARG 72 HA ARG 72 -5.447 6.505 -5.687 563 HB2 ARG 72 HB2 ARG 72 -5.593 8.762 -4.494 564 HB3 ARG 72 HB1 ARG 72 -3.898 8.995 -4.928 565 HG2 ARG 72 HG2 ARG 72 -4.450 8.716 -7.305 566 HG3 ARG 72 HG1 ARG 72 -6.139 8.428 -6.889 567 HD2 ARG 72 HD2 ARG 72 -5.920 10.748 -7.566 568 HD3 ARG 72 HD1 ARG 72 -6.201 10.709 -5.826 569 HE ARG 72 HE ARG 72 -3.376 10.694 -6.326 570 HH11 ARG 72 HH21 ARG 72 -6.192 12.728 -6.487 571 HH12 ARG 72 HH22 ARG 72 -5.287 14.189 -6.266 572 HH21 ARG 72 HH11 ARG 72 -2.219 12.594 -6.042 573 HH22 ARG 72 HH12 ARG 72 -3.051 14.114 -6.018 574 H VAL 73 HN VAL 73 -4.373 5.771 -7.378 575 HA VAL 73 HA VAL 73 -1.499 5.245 -7.208 576 HB VAL 73 HB VAL 73 -3.372 4.800 -9.553 577 HG11 VAL 73 HG11 VAL 73 -0.985 4.695 -10.119 578 HG12 VAL 73 HG12 VAL 73 -1.677 3.072 -10.141 579 HG13 VAL 73 HG13 VAL 73 -0.698 3.596 -8.771 580 HG21 VAL 73 HG21 VAL 73 -2.662 3.035 -7.190 581 HG22 VAL 73 HG22 VAL 73 -3.473 2.452 -8.644 582 HG23 VAL 73 HG23 VAL 73 -4.263 3.643 -7.609 583 H ALA 74 HN ALA 74 0.079 6.382 -8.100 584 HA ALA 74 HA ALA 74 -0.620 8.676 -9.913 585 HB1 ALA 74 HB1 ALA 74 1.578 9.640 -8.968 586 HB2 ALA 74 HB2 ALA 74 1.430 8.413 -7.709 587 HB3 ALA 74 HB3 ALA 74 0.176 9.637 -7.901 588 H GLN 75 HN GLN 75 0.675 9.014 -11.672 589 HA GLN 75 HA GLN 75 2.511 6.766 -12.423 590 HB2 GLN 75 HB2 GLN 75 0.454 7.215 -13.844 591 HB3 GLN 75 HB1 GLN 75 1.170 8.768 -14.268 592 HG2 GLN 75 HG2 GLN 75 3.136 7.649 -15.189 593 HG3 GLN 75 HG1 GLN 75 2.499 6.080 -14.699 594 HE21 GLN 75 HE21 GLN 75 2.888 5.944 -17.268 595 HE22 GLN 75 HE22 GLN 75 1.515 6.274 -18.210 596 H PHE 76 HN PHE 76 4.436 7.507 -11.634 597 HA PHE 76 HA PHE 76 5.350 10.259 -12.081 598 HB2 PHE 76 HB2 PHE 76 6.511 7.809 -10.760 599 HB3 PHE 76 HB1 PHE 76 7.551 9.186 -11.128 600 HD1 PHE 76 HD2 PHE 76 4.348 8.266 -9.431 601 HD2 PHE 76 HD1 PHE 76 7.584 11.073 -9.737 602 HE1 PHE 76 HE2 PHE 76 3.503 9.467 -7.430 603 HE2 PHE 76 HE1 PHE 76 6.737 12.272 -7.742 604 HZ PHE 76 HZ PHE 76 4.697 11.466 -6.586 605 H ASN 77 HN ASN 77 7.822 10.252 -12.793 606 HA ASN 77 HA ASN 77 7.900 9.984 -15.575 607 HB2 ASN 77 HB2 ASN 77 10.212 9.941 -13.599 608 HB3 ASN 77 HB1 ASN 77 10.396 10.138 -15.340 609 HD21 ASN 77 HD21 ASN 77 7.766 11.754 -15.377 610 HD22 ASN 77 HD22 ASN 77 8.221 13.288 -14.811 611 H GLY 78 HN GLY 78 6.878 7.828 -15.750 612 HA2 GLY 78 HA2 GLY 78 7.113 5.660 -16.601 613 HA3 GLY 78 HA1 GLY 78 8.862 5.842 -16.475 614 H TYR 79 HN TYR 79 7.143 6.532 -13.597 615 HA TYR 79 HA TYR 79 7.637 3.762 -12.545 616 HB2 TYR 79 HB2 TYR 79 8.319 6.375 -11.167 617 HB3 TYR 79 HB1 TYR 79 8.441 4.773 -10.439 618 HD1 TYR 79 HD2 TYR 79 9.930 3.030 -11.596 619 HD2 TYR 79 HD1 TYR 79 10.084 7.229 -12.490 620 HE1 TYR 79 HE2 TYR 79 12.177 2.734 -12.606 621 HE2 TYR 79 HE1 TYR 79 12.329 6.933 -13.501 622 HH TYR 79 HH TYR 79 13.560 4.740 -14.630 623 H LEU 80 HN LEU 80 6.196 3.033 -11.056 624 HA LEU 80 HA LEU 80 3.693 4.637 -10.732 625 HB2 LEU 80 HB2 LEU 80 4.141 1.662 -10.310 626 HB3 LEU 80 HB1 LEU 80 2.593 2.509 -10.292 627 HG LEU 80 HG LEU 80 4.460 2.324 -12.673 628 HD11 LEU 80 HD11 LEU 80 1.835 0.957 -12.020 629 HD12 LEU 80 HD12 LEU 80 3.397 0.185 -12.299 630 HD13 LEU 80 HD13 LEU 80 2.554 0.977 -13.631 631 HD21 LEU 80 HD21 LEU 80 2.219 3.214 -13.766 632 HD22 LEU 80 HD22 LEU 80 3.333 4.341 -13.000 633 HD23 LEU 80 HD23 LEU 80 1.891 3.804 -12.135 634 H SER 81 HN SER 81 2.899 5.115 -8.776 635 HA SER 81 HA SER 81 4.054 3.952 -6.319 636 HB2 SER 81 HB2 SER 81 4.733 6.086 -5.387 637 HB3 SER 81 HB1 SER 81 5.567 5.852 -6.919 638 HG SER 81 HG SER 81 4.044 7.868 -6.211 639 H LEU 82 HN LEU 82 2.881 4.723 -4.393 640 HA LEU 82 HA LEU 82 0.014 5.309 -5.055 641 HB2 LEU 82 HB2 LEU 82 1.191 4.091 -2.534 642 HB3 LEU 82 HB1 LEU 82 -0.521 4.259 -2.921 643 HG LEU 82 HG LEU 82 1.470 2.629 -4.527 644 HD11 LEU 82 HD11 LEU 82 -0.661 1.861 -2.516 645 HD12 LEU 82 HD12 LEU 82 1.064 1.495 -2.448 646 HD13 LEU 82 HD13 LEU 82 0.042 0.714 -3.655 647 HD21 LEU 82 HD21 LEU 82 -0.180 3.250 -6.071 648 HD22 LEU 82 HD22 LEU 82 -1.452 3.304 -4.852 649 HD23 LEU 82 HD23 LEU 82 -0.852 1.753 -5.432 650 H SER 83 HN SER 83 -0.880 7.121 -4.393 651 HA SER 83 HA SER 83 0.660 8.931 -2.569 652 HB2 SER 83 HB2 SER 83 -0.934 10.679 -3.592 653 HB3 SER 83 HB1 SER 83 0.335 10.042 -4.628 654 HG SER 83 HG SER 83 -1.663 10.015 -5.693 655 H VAL 84 HN VAL 84 -0.114 9.193 -0.615 656 HA VAL 84 HA VAL 84 -2.910 8.376 0.028 657 HB VAL 84 HB VAL 84 -0.655 9.026 1.949 658 HG11 VAL 84 HG11 VAL 84 -3.274 7.519 2.187 659 HG12 VAL 84 HG12 VAL 84 -2.883 9.068 2.933 660 HG13 VAL 84 HG13 VAL 84 -2.056 7.601 3.458 661 HG21 VAL 84 HG21 VAL 84 -0.321 6.568 2.075 662 HG22 VAL 84 HG22 VAL 84 0.030 7.184 0.460 663 HG23 VAL 84 HG23 VAL 84 -1.493 6.353 0.776 664 H GLY 85 HN GLY 85 -4.295 9.996 -0.069 665 HA2 GLY 85 HA2 GLY 85 -3.463 12.783 0.556 666 HA3 GLY 85 HA1 GLY 85 -4.948 12.305 -0.262 667 H ASP 86 HN ASP 86 -5.468 14.017 1.541 668 HA ASP 86 HA ASP 86 -5.713 13.174 4.271 669 HB2 ASP 86 HB2 ASP 86 -5.836 15.560 3.359 670 HB3 ASP 86 HB1 ASP 86 -7.488 15.189 2.860 671 H SER 87 HN SER 87 -7.705 12.731 1.425 672 HA SER 87 HA SER 87 -10.072 11.867 2.900 673 HB2 SER 87 HB2 SER 87 -10.973 11.322 0.697 674 HB3 SER 87 HB1 SER 87 -10.176 12.888 0.619 675 HG SER 87 HG SER 87 -9.347 10.388 -0.380 676 H SER 88 HN SER 88 -7.103 10.473 2.323 677 HA SER 88 HA SER 88 -7.972 7.715 1.880 678 HB2 SER 88 HB2 SER 88 -5.765 8.575 1.082 679 HB3 SER 88 HB1 SER 88 -5.265 8.771 2.760 680 HG SER 88 HG SER 88 -4.920 6.703 2.856 681 H ARG 89 HN ARG 89 -7.249 6.006 3.445 682 HA ARG 89 HA ARG 89 -7.622 6.889 6.294 683 HB2 ARG 89 HB2 ARG 89 -8.713 4.395 4.944 684 HB3 ARG 89 HB1 ARG 89 -8.903 4.806 6.645 685 HG2 ARG 89 HG2 ARG 89 -9.791 6.772 4.533 686 HG3 ARG 89 HG1 ARG 89 -10.829 5.410 4.949 687 HD2 ARG 89 HD2 ARG 89 -10.808 6.085 7.311 688 HD3 ARG 89 HD1 ARG 89 -9.717 7.413 6.939 689 HE ARG 89 HE ARG 89 -11.533 8.630 6.059 690 HH11 ARG 89 HH21 ARG 89 -12.354 5.288 6.556 691 HH12 ARG 89 HH22 ARG 89 -14.043 5.546 6.265 692 HH21 ARG 89 HH11 ARG 89 -13.720 8.945 5.694 693 HH22 ARG 89 HH12 ARG 89 -14.811 7.603 5.782 694 H ILE 90 HN ILE 90 -6.268 6.046 7.750 695 HA ILE 90 HA ILE 90 -4.354 3.904 6.864 696 HB ILE 90 HB ILE 90 -3.737 6.366 8.527 697 HG12 ILE 90 HG12 ILE 90 -2.661 5.517 5.821 698 HG13 ILE 90 HG11 ILE 90 -3.980 6.671 6.023 699 HG21 ILE 90 HG21 ILE 90 -2.435 4.560 9.384 700 HG22 ILE 90 HG22 ILE 90 -1.368 5.408 8.267 701 HG23 ILE 90 HG23 ILE 90 -2.145 3.905 7.771 702 HD11 ILE 90 HD11 ILE 90 -1.866 7.878 5.781 703 HD12 ILE 90 HD12 ILE 90 -1.167 6.965 7.119 704 HD13 ILE 90 HD13 ILE 90 -2.489 8.094 7.417 705 H GLU 91 HN GLU 91 -4.221 2.236 8.198 706 HA GLU 91 HA GLU 91 -5.177 2.526 11.034 707 HB2 GLU 91 HB2 GLU 91 -6.782 1.252 9.566 708 HB3 GLU 91 HB1 GLU 91 -5.502 0.070 9.285 709 HG2 GLU 91 HG2 GLU 91 -6.859 -0.762 11.098 710 HG3 GLU 91 HG1 GLU 91 -5.333 -0.227 11.790 711 H SER 92 HN SER 92 -3.674 2.034 12.457 712 HA SER 92 HA SER 92 -1.077 0.991 11.669 713 HB2 SER 92 HB2 SER 92 -0.470 1.300 13.997 714 HB3 SER 92 HB1 SER 92 -1.410 2.694 13.480 715 HG SER 92 HG SER 92 -2.214 0.481 15.057 716 H VAL 93 HN VAL 93 -0.115 -0.925 12.425 717 HA VAL 93 HA VAL 93 -1.877 -3.007 13.610 718 HB VAL 93 HB VAL 93 -0.318 -3.381 11.029 719 HG11 VAL 93 HG11 VAL 93 -1.548 -5.622 11.113 720 HG12 VAL 93 HG12 VAL 93 -1.910 -5.247 12.799 721 HG13 VAL 93 HG13 VAL 93 -0.235 -5.419 12.274 722 HG21 VAL 93 HG21 VAL 93 -2.660 -3.853 10.147 723 HG22 VAL 93 HG22 VAL 93 -2.347 -2.168 10.563 724 HG23 VAL 93 HG23 VAL 93 -3.278 -3.190 11.659 725 H ASN 94 HN ASN 94 -0.666 -3.105 15.449 726 HA ASN 94 HA ASN 94 2.276 -3.352 15.331 727 HB2 ASN 94 HB2 ASN 94 0.289 -3.296 17.624 728 HB3 ASN 94 HB1 ASN 94 2.024 -3.533 17.849 729 HD21 ASN 94 HD21 ASN 94 0.659 -1.224 18.896 730 HD22 ASN 94 HD22 ASN 94 1.229 0.146 18.071 731 H VAL 95 HN VAL 95 2.944 -5.294 14.654 732 HA VAL 95 HA VAL 95 1.520 -7.770 15.476 733 HB VAL 95 HB VAL 95 3.888 -7.336 13.613 734 HG11 VAL 95 HG11 VAL 95 3.321 -9.684 12.901 735 HG12 VAL 95 HG12 VAL 95 2.217 -9.776 14.272 736 HG13 VAL 95 HG13 VAL 95 3.948 -9.576 14.547 737 HG21 VAL 95 HG21 VAL 95 1.937 -6.375 12.618 738 HG22 VAL 95 HG22 VAL 95 0.917 -7.702 13.174 739 HG23 VAL 95 HG23 VAL 95 2.101 -7.977 11.897 740 H ASN 96 HN ASN 96 4.993 -7.458 15.004 741 HA ASN 96 HA ASN 96 6.736 -8.317 16.318 742 HB2 ASN 96 HB2 ASN 96 6.940 -7.164 18.487 743 HB3 ASN 96 HB1 ASN 96 6.484 -6.047 17.201 744 HD21 ASN 96 HD21 ASN 96 4.744 -4.709 17.707 745 HD22 ASN 96 HD22 ASN 96 3.554 -5.055 18.868 746 H ILE 97 HN ILE 97 4.790 -10.205 16.054 747 HA ILE 97 HA ILE 97 3.922 -12.155 17.003 748 HB ILE 97 HB ILE 97 6.046 -11.777 19.114 749 HG12 ILE 97 HG12 ILE 97 6.332 -12.883 16.292 750 HG13 ILE 97 HG11 ILE 97 7.072 -11.402 16.900 751 HG21 ILE 97 HG21 ILE 97 4.341 -13.635 19.296 752 HG22 ILE 97 HG22 ILE 97 6.012 -14.185 19.202 753 HG23 ILE 97 HG23 ILE 97 4.973 -14.277 17.780 754 HD11 ILE 97 HD11 ILE 97 8.200 -12.849 18.679 755 HD12 ILE 97 HD12 ILE 97 8.771 -13.083 17.027 756 HD13 ILE 97 HD13 ILE 97 7.662 -14.249 17.749 757 HA PRO 98 HA PRO 98 1.697 -9.752 20.295 758 HB2 PRO 98 HB2 PRO 98 -0.808 -9.882 19.187 759 HB3 PRO 98 HB1 PRO 98 0.371 -8.617 18.790 760 HG2 PRO 98 HG2 PRO 98 -0.420 -11.022 17.232 761 HG3 PRO 98 HG1 PRO 98 0.072 -9.418 16.663 762 HD2 PRO 98 HD2 PRO 98 1.719 -11.676 16.707 763 HD3 PRO 98 HD1 PRO 98 2.300 -10.003 16.601 764 H LEU 99 HN LEU 99 0.593 -10.610 22.004 765 HA LEU 99 HA LEU 99 -1.025 -13.005 21.862 766 HB2 LEU 99 HB2 LEU 99 0.631 -14.227 23.528 767 HB3 LEU 99 HB1 LEU 99 0.876 -14.354 21.790 768 HG LEU 99 HG LEU 99 2.550 -12.576 21.848 769 HD11 LEU 99 HD11 LEU 99 3.277 -11.777 24.181 770 HD12 LEU 99 HD12 LEU 99 1.732 -12.408 24.752 771 HD13 LEU 99 HD13 LEU 99 1.769 -11.114 23.554 772 HD21 LEU 99 HD21 LEU 99 4.206 -13.701 23.449 773 HD22 LEU 99 HD22 LEU 99 3.471 -14.753 22.239 774 HD23 LEU 99 HD23 LEU 99 2.885 -14.778 23.902 775 H GLU 100 HN GLU 100 -0.588 -10.160 23.041 776 HA GLU 100 HA GLU 100 -2.107 -10.628 25.474 777 HB2 GLU 100 HB2 GLU 100 0.189 -11.092 26.296 778 HB3 GLU 100 HB1 GLU 100 0.695 -9.491 25.751 779 HG2 GLU 100 HG2 GLU 100 -0.940 -8.440 27.259 780 HG3 GLU 100 HG1 GLU 100 -1.499 -10.029 27.778 781 H HIS 101 HN HIS 101 -3.465 -8.974 25.619 782 HA HIS 101 HA HIS 101 -4.506 -6.925 25.215 783 HB2 HIS 101 HB2 HIS 101 -2.820 -6.247 26.887 784 HB3 HIS 101 HB1 HIS 101 -1.670 -5.917 25.589 785 HD1 HIS 101 HD1 HIS 101 -1.803 -3.649 24.515 786 HD2 HIS 101 HD2 HIS 101 -5.227 -4.525 26.728 787 HE1 HIS 101 HE1 HIS 101 -3.212 -1.545 24.516 788 H HIS 102 HN HIS 102 -3.693 -8.396 22.912 789 HA HIS 102 HA HIS 102 -2.396 -6.758 20.940 790 HB2 HIS 102 HB2 HIS 102 -2.691 -9.203 20.676 791 HB3 HIS 102 HB1 HIS 102 -4.439 -8.983 20.569 792 HD1 HIS 102 HD1 HIS 102 -1.274 -7.875 18.765 793 HD2 HIS 102 HD2 HIS 102 -5.333 -8.431 17.999 794 HE1 HIS 102 HE1 HIS 102 -1.594 -7.483 16.284 795 H HIS 103 HN HIS 103 -5.799 -7.254 21.824 796 HA HIS 103 HA HIS 103 -6.772 -5.413 19.776 797 HB2 HIS 103 HB2 HIS 103 -8.119 -6.780 22.124 798 HB3 HIS 103 HB1 HIS 103 -8.969 -5.717 21.002 799 HD1 HIS 103 HD1 HIS 103 -7.220 -9.053 21.173 800 HD2 HIS 103 HD2 HIS 103 -9.453 -6.829 18.446 801 HE1 HIS 103 HE1 HIS 103 -7.778 -10.616 19.260 802 H HIS 104 HN HIS 104 -7.401 -3.325 20.043 803 HA HIS 104 HA HIS 104 -7.111 -2.063 22.744 804 HB2 HIS 104 HB2 HIS 104 -5.860 -0.218 21.790 805 HB3 HIS 104 HB1 HIS 104 -5.034 -1.715 21.370 806 HD1 HIS 104 HD1 HIS 104 -5.476 -2.627 18.872 807 HD2 HIS 104 HD2 HIS 104 -6.669 1.303 19.589 808 HE1 HIS 104 HE1 HIS 104 -5.817 -1.556 16.602 809 H HIS 105 HN HIS 105 -9.209 -2.821 20.470 810 HA HIS 105 HA HIS 105 -10.455 -0.346 19.687 811 HB2 HIS 105 HB2 HIS 105 -12.321 -1.717 18.990 812 HB3 HIS 105 HB1 HIS 105 -10.845 -2.604 18.614 813 HD1 HIS 105 HD1 HIS 105 -10.229 -4.619 20.232 814 HD2 HIS 105 HD2 HIS 105 -13.996 -2.954 20.882 815 HE1 HIS 105 HE1 HIS 105 -11.493 -6.254 21.699 816 H HIS 106 HN HIS 106 -11.038 -2.603 22.354 817 HA HIS 106 HA HIS 106 -12.500 -2.469 24.195 818 HB2 HIS 106 HB2 HIS 106 -10.528 -1.252 24.952 819 HB3 HIS 106 HB1 HIS 106 -11.140 0.238 24.230 820 HD1 HIS 106 HD1 HIS 106 -12.247 -2.350 26.812 821 HD2 HIS 106 HD2 HIS 106 -12.716 1.705 25.960 822 HE1 HIS 106 HE1 HIS 106 -13.586 -1.364 28.725 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 -9.152 1.698 -1.100 2 H2 SER 1 HT2 SER 1 -8.983 1.762 -2.790 3 H3 SER 1 HT3 SER 1 -8.396 0.423 -1.925 4 HA SER 1 HA SER 1 -11.180 0.887 -1.449 5 HB2 SER 1 HB2 SER 1 -11.235 1.668 -3.735 6 HB3 SER 1 HB1 SER 1 -10.175 0.360 -4.256 7 HG SER 1 HG SER 1 -12.881 0.312 -3.531 8 H ASP 2 HN ASP 2 -10.465 -1.486 -3.771 9 HA ASP 2 HA ASP 2 -10.848 -3.629 -1.853 10 HB2 ASP 2 HB2 ASP 2 -11.672 -3.751 -4.177 11 HB3 ASP 2 HB1 ASP 2 -10.007 -3.752 -4.757 12 H LEU 3 HN LEU 3 -9.346 -5.290 -1.330 13 HA LEU 3 HA LEU 3 -6.620 -4.335 -0.991 14 HB2 LEU 3 HB2 LEU 3 -7.680 -5.661 0.756 15 HB3 LEU 3 HB1 LEU 3 -7.943 -6.988 -0.373 16 HG LEU 3 HG LEU 3 -5.531 -7.319 -0.607 17 HD11 LEU 3 HD11 LEU 3 -4.531 -5.207 -0.421 18 HD12 LEU 3 HD12 LEU 3 -4.098 -5.947 1.119 19 HD13 LEU 3 HD13 LEU 3 -5.430 -4.794 1.038 20 HD21 LEU 3 HD21 LEU 3 -6.857 -8.298 1.348 21 HD22 LEU 3 HD22 LEU 3 -6.144 -7.027 2.343 22 HD23 LEU 3 HD23 LEU 3 -5.108 -8.224 1.563 23 H VAL 4 HN VAL 4 -5.018 -4.590 -2.452 24 HA VAL 4 HA VAL 4 -5.052 -7.007 -4.216 25 HB VAL 4 HB VAL 4 -4.468 -5.603 -6.173 26 HG11 VAL 4 HG11 VAL 4 -6.710 -4.857 -6.610 27 HG12 VAL 4 HG12 VAL 4 -7.049 -4.678 -4.888 28 HG13 VAL 4 HG13 VAL 4 -6.839 -6.286 -5.584 29 HG21 VAL 4 HG21 VAL 4 -3.523 -3.646 -5.209 30 HG22 VAL 4 HG22 VAL 4 -4.910 -3.398 -4.150 31 HG23 VAL 4 HG23 VAL 4 -5.061 -3.109 -5.883 32 H LYS 5 HN LYS 5 -2.929 -7.306 -5.313 33 HA LYS 5 HA LYS 5 -0.767 -6.945 -3.397 34 HB2 LYS 5 HB2 LYS 5 -0.845 -8.099 -6.194 35 HB3 LYS 5 HB1 LYS 5 0.595 -8.097 -5.175 36 HG2 LYS 5 HG2 LYS 5 -0.614 -9.381 -3.453 37 HG3 LYS 5 HG1 LYS 5 -2.063 -9.373 -4.458 38 HD2 LYS 5 HD2 LYS 5 -0.858 -10.596 -6.225 39 HD3 LYS 5 HD1 LYS 5 0.602 -10.597 -5.235 40 HE2 LYS 5 HE2 LYS 5 -0.561 -11.890 -3.495 41 HE3 LYS 5 HE1 LYS 5 -2.040 -11.871 -4.455 42 HZ1 LYS 5 HZ1 LYS 5 0.524 -12.989 -5.441 43 HZ2 LYS 5 HZ2 LYS 5 -1.017 -13.157 -6.136 44 HZ3 LYS 5 HZ3 LYS 5 -0.658 -13.925 -4.664 45 H ILE 6 HN ILE 6 1.266 -5.915 -3.893 46 HA ILE 6 HA ILE 6 1.027 -3.272 -4.955 47 HB ILE 6 HB ILE 6 3.426 -4.988 -4.300 48 HG12 ILE 6 HG12 ILE 6 3.565 -3.332 -2.385 49 HG13 ILE 6 HG11 ILE 6 1.999 -2.708 -2.894 50 HG21 ILE 6 HG21 ILE 6 3.254 -2.125 -5.258 51 HG22 ILE 6 HG22 ILE 6 4.261 -3.428 -5.886 52 HG23 ILE 6 HG23 ILE 6 4.625 -2.713 -4.317 53 HD11 ILE 6 HD11 ILE 6 2.092 -4.534 -1.027 54 HD12 ILE 6 HD12 ILE 6 2.346 -5.654 -2.363 55 HD13 ILE 6 HD13 ILE 6 0.876 -4.679 -2.295 56 H ARG 7 HN ARG 7 2.413 -6.255 -6.289 57 HA ARG 7 HA ARG 7 3.366 -5.106 -8.735 58 HB2 ARG 7 HB2 ARG 7 2.506 -7.916 -8.016 59 HB3 ARG 7 HB1 ARG 7 3.220 -7.499 -9.574 60 HG2 ARG 7 HG2 ARG 7 5.238 -6.673 -8.454 61 HG3 ARG 7 HG1 ARG 7 4.522 -7.005 -6.878 62 HD2 ARG 7 HD2 ARG 7 6.035 -8.832 -7.483 63 HD3 ARG 7 HD1 ARG 7 4.375 -9.423 -7.491 64 HE ARG 7 HE ARG 7 5.060 -8.521 -10.116 65 HH11 ARG 7 HH21 ARG 7 5.740 -11.004 -7.816 66 HH12 ARG 7 HH22 ARG 7 6.117 -12.191 -9.019 67 HH21 ARG 7 HH11 ARG 7 5.549 -10.057 -11.686 68 HH22 ARG 7 HH12 ARG 7 6.009 -11.656 -11.207 69 H ASP 8 HN ASP 8 0.189 -6.031 -7.666 70 HA ASP 8 HA ASP 8 -0.947 -6.103 -10.376 71 HB2 ASP 8 HB2 ASP 8 -1.818 -7.464 -8.423 72 HB3 ASP 8 HB1 ASP 8 -2.405 -5.955 -7.725 73 H VAL 9 HN VAL 9 0.143 -3.651 -8.457 74 HA VAL 9 HA VAL 9 -2.007 -1.748 -8.615 75 HB VAL 9 HB VAL 9 0.978 -1.386 -8.299 76 HG11 VAL 9 HG11 VAL 9 0.208 0.908 -7.393 77 HG12 VAL 9 HG12 VAL 9 -1.294 0.609 -8.268 78 HG13 VAL 9 HG13 VAL 9 0.233 0.705 -9.145 79 HG21 VAL 9 HG21 VAL 9 -1.208 -0.993 -6.250 80 HG22 VAL 9 HG22 VAL 9 0.518 -1.234 -5.979 81 HG23 VAL 9 HG23 VAL 9 -0.487 -2.575 -6.531 82 H SER 10 HN SER 10 -2.647 -0.469 -10.249 83 HA SER 10 HA SER 10 -0.853 0.268 -12.437 84 HB2 SER 10 HB2 SER 10 -2.402 -0.688 -14.189 85 HB3 SER 10 HB1 SER 10 -1.496 -1.897 -13.284 86 HG SER 10 HG SER 10 -3.690 -1.415 -11.923 87 H LEU 11 HN LEU 11 -2.079 1.680 -14.031 88 HA LEU 11 HA LEU 11 -3.596 3.681 -12.629 89 HB2 LEU 11 HB2 LEU 11 -3.350 3.163 -15.607 90 HB3 LEU 11 HB1 LEU 11 -3.916 4.664 -14.874 91 HG LEU 11 HG LEU 11 -1.168 3.443 -14.463 92 HD11 LEU 11 HD11 LEU 11 -1.727 4.429 -16.769 93 HD12 LEU 11 HD12 LEU 11 -0.314 5.090 -15.947 94 HD13 LEU 11 HD13 LEU 11 -1.831 5.988 -15.951 95 HD21 LEU 11 HD21 LEU 11 -1.520 4.703 -12.526 96 HD22 LEU 11 HD22 LEU 11 -2.578 5.856 -13.339 97 HD23 LEU 11 HD23 LEU 11 -0.834 5.927 -13.592 98 H SER 12 HN SER 12 -4.446 0.726 -14.155 99 HA SER 12 HA SER 12 -7.168 1.280 -14.861 100 HB2 SER 12 HB2 SER 12 -5.758 -0.779 -15.461 101 HB3 SER 12 HB1 SER 12 -6.126 -1.369 -13.843 102 HG SER 12 HG SER 12 -8.373 -1.075 -14.417 103 H THR 13 HN THR 13 -5.597 0.954 -11.830 104 HA THR 13 HA THR 13 -8.248 0.796 -10.428 105 HB THR 13 HB THR 13 -7.131 -0.388 -8.612 106 HG1 THR 13 HG1 THR 13 -4.890 0.246 -10.154 107 HG21 THR 13 HG21 THR 13 -6.671 -2.490 -9.776 108 HG22 THR 13 HG22 THR 13 -6.458 -1.622 -11.296 109 HG23 THR 13 HG23 THR 13 -8.044 -1.679 -10.526 110 HA PRO 14 HA PRO 14 -6.281 4.970 -9.668 111 HB2 PRO 14 HB2 PRO 14 -9.162 5.428 -8.971 112 HB3 PRO 14 HB1 PRO 14 -8.061 6.443 -9.924 113 HG2 PRO 14 HG2 PRO 14 -9.951 4.977 -11.095 114 HG3 PRO 14 HG1 PRO 14 -8.356 5.191 -11.840 115 HD2 PRO 14 HD2 PRO 14 -9.473 2.792 -10.439 116 HD3 PRO 14 HD1 PRO 14 -8.334 2.872 -11.800 117 H TYR 15 HN TYR 15 -8.708 3.244 -7.695 118 HA TYR 15 HA TYR 15 -7.273 4.200 -5.233 119 HB2 TYR 15 HB2 TYR 15 -10.199 3.530 -5.616 120 HB3 TYR 15 HB1 TYR 15 -9.448 3.892 -4.061 121 HD1 TYR 15 HD2 TYR 15 -8.062 6.120 -3.943 122 HD2 TYR 15 HD1 TYR 15 -11.067 5.302 -6.902 123 HE1 TYR 15 HE2 TYR 15 -8.294 8.551 -4.377 124 HE2 TYR 15 HE1 TYR 15 -11.299 7.733 -7.335 125 HH TYR 15 HH TYR 15 -9.734 9.809 -7.047 126 H VAL 16 HN VAL 16 -6.363 2.628 -4.028 127 HA VAL 16 HA VAL 16 -7.533 -0.098 -4.038 128 HB VAL 16 HB VAL 16 -5.270 -1.103 -4.418 129 HG11 VAL 16 HG11 VAL 16 -7.046 -0.770 -6.212 130 HG12 VAL 16 HG12 VAL 16 -5.393 -0.959 -6.797 131 HG13 VAL 16 HG13 VAL 16 -6.127 0.643 -6.730 132 HG21 VAL 16 HG21 VAL 16 -3.641 0.452 -5.633 133 HG22 VAL 16 HG22 VAL 16 -3.792 0.699 -3.894 134 HG23 VAL 16 HG23 VAL 16 -4.605 1.790 -5.013 135 H SER 17 HN SER 17 -6.611 -1.451 -2.332 136 HA SER 17 HA SER 17 -5.508 0.163 -0.051 137 HB2 SER 17 HB2 SER 17 -7.156 -2.366 0.114 138 HB3 SER 17 HB1 SER 17 -6.689 -1.316 1.445 139 HG SER 17 HG SER 17 -8.533 -0.392 1.019 140 H VAL 18 HN VAL 18 -3.602 -0.553 0.805 141 HA VAL 18 HA VAL 18 -2.655 -3.302 0.112 142 HB VAL 18 HB VAL 18 -0.393 -2.354 -0.355 143 HG11 VAL 18 HG11 VAL 18 -2.049 -2.918 -2.143 144 HG12 VAL 18 HG12 VAL 18 -0.943 -1.626 -2.608 145 HG13 VAL 18 HG13 VAL 18 -2.592 -1.241 -2.117 146 HG21 VAL 18 HG21 VAL 18 -1.860 0.302 -0.463 147 HG22 VAL 18 HG22 VAL 18 -0.141 0.025 -0.738 148 HG23 VAL 18 HG23 VAL 18 -0.820 -0.184 0.876 149 H ILE 19 HN ILE 19 -0.837 -3.997 1.474 150 HA ILE 19 HA ILE 19 -0.565 -2.519 4.042 151 HB ILE 19 HB ILE 19 -2.378 -4.229 4.293 152 HG12 ILE 19 HG12 ILE 19 0.134 -4.956 5.818 153 HG13 ILE 19 HG11 ILE 19 -0.825 -3.515 6.157 154 HG21 ILE 19 HG21 ILE 19 -1.879 -6.567 4.131 155 HG22 ILE 19 HG22 ILE 19 -0.160 -6.249 3.904 156 HG23 ILE 19 HG23 ILE 19 -1.310 -5.828 2.635 157 HD11 ILE 19 HD11 ILE 19 -2.822 -4.981 6.491 158 HD12 ILE 19 HD12 ILE 19 -1.534 -5.293 7.654 159 HD13 ILE 19 HD13 ILE 19 -1.778 -6.388 6.293 160 H GLY 20 HN GLY 20 1.481 -2.651 4.898 161 HA2 GLY 20 HA2 GLY 20 3.303 -4.806 4.456 162 HA3 GLY 20 HA1 GLY 20 3.629 -3.556 3.254 163 H LYS 21 HN LYS 21 5.737 -3.402 4.413 164 HA LYS 21 HA LYS 21 5.554 -1.822 6.952 165 HB2 LYS 21 HB2 LYS 21 6.846 -4.062 6.854 166 HB3 LYS 21 HB1 LYS 21 8.045 -3.169 5.918 167 HG2 LYS 21 HG2 LYS 21 7.947 -1.438 7.852 168 HG3 LYS 21 HG1 LYS 21 7.163 -2.720 8.770 169 HD2 LYS 21 HD2 LYS 21 9.907 -2.835 7.485 170 HD3 LYS 21 HD1 LYS 21 9.550 -2.804 9.212 171 HE2 LYS 21 HE2 LYS 21 8.196 -4.943 8.813 172 HE3 LYS 21 HE1 LYS 21 8.988 -5.012 7.238 173 HZ1 LYS 21 HZ1 LYS 21 10.976 -4.499 9.089 174 HZ2 LYS 21 HZ2 LYS 21 10.708 -5.945 8.238 175 HZ3 LYS 21 HZ3 LYS 21 10.019 -5.721 9.773 176 H ILE 22 HN ILE 22 6.139 0.252 6.871 177 HA ILE 22 HA ILE 22 7.275 1.315 4.350 178 HB ILE 22 HB ILE 22 6.004 2.608 6.770 179 HG12 ILE 22 HG12 ILE 22 4.329 3.297 5.044 180 HG13 ILE 22 HG11 ILE 22 5.220 2.357 3.851 181 HG21 ILE 22 HG21 ILE 22 6.177 4.716 5.317 182 HG22 ILE 22 HG22 ILE 22 7.378 3.839 4.370 183 HG23 ILE 22 HG23 ILE 22 7.670 4.170 6.075 184 HD11 ILE 22 HD11 ILE 22 4.328 1.013 6.389 185 HD12 ILE 22 HD12 ILE 22 4.602 0.319 4.788 186 HD13 ILE 22 HD13 ILE 22 3.163 1.285 5.093 187 H THR 23 HN THR 23 9.365 1.799 4.190 188 HA THR 23 HA THR 23 10.936 2.413 6.657 189 HB THR 23 HB THR 23 12.832 1.135 5.636 190 HG1 THR 23 HG1 THR 23 11.869 -0.469 4.031 191 HG21 THR 23 HG21 THR 23 11.703 -0.036 7.331 192 HG22 THR 23 HG22 THR 23 11.703 -1.164 5.978 193 HG23 THR 23 HG23 THR 23 10.249 -0.243 6.354 194 H GLY 24 HN GLY 24 12.883 3.652 6.225 195 HA2 GLY 24 HA2 GLY 24 14.111 5.348 5.179 196 HA3 GLY 24 HA1 GLY 24 13.471 4.783 3.637 197 H ILE 25 HN ILE 25 12.758 6.833 6.431 198 HA ILE 25 HA ILE 25 10.471 8.071 5.008 199 HB ILE 25 HB ILE 25 11.631 8.773 7.714 200 HG12 ILE 25 HG12 ILE 25 10.968 6.444 7.767 201 HG13 ILE 25 HG11 ILE 25 9.726 7.381 8.590 202 HG21 ILE 25 HG21 ILE 25 9.339 9.695 8.073 203 HG22 ILE 25 HG22 ILE 25 8.961 9.325 6.390 204 HG23 ILE 25 HG23 ILE 25 10.208 10.513 6.773 205 HD11 ILE 25 HD11 ILE 25 9.618 6.045 5.904 206 HD12 ILE 25 HD12 ILE 25 8.597 7.449 6.210 207 HD13 ILE 25 HD13 ILE 25 8.440 6.016 7.216 208 H HIS 26 HN HIS 26 10.627 9.935 3.905 209 HA HIS 26 HA HIS 26 12.959 11.739 4.419 210 HB2 HIS 26 HB2 HIS 26 11.960 10.762 1.731 211 HB3 HIS 26 HB1 HIS 26 13.065 12.123 1.932 212 HD1 HIS 26 HD1 HIS 26 12.870 8.385 2.302 213 HD2 HIS 26 HD2 HIS 26 15.700 11.418 2.717 214 HE1 HIS 26 HE1 HIS 26 15.119 7.241 2.531 215 H LYS 27 HN LYS 27 12.443 13.879 4.380 216 HA LYS 27 HA LYS 27 9.561 14.562 3.999 217 HB2 LYS 27 HB2 LYS 27 10.556 15.069 6.185 218 HB3 LYS 27 HB1 LYS 27 11.792 16.051 5.404 219 HG2 LYS 27 HG2 LYS 27 10.053 17.563 4.520 220 HG3 LYS 27 HG1 LYS 27 8.804 16.573 5.267 221 HD2 LYS 27 HD2 LYS 27 11.034 17.759 6.918 222 HD3 LYS 27 HD1 LYS 27 9.604 18.706 6.520 223 HE2 LYS 27 HE2 LYS 27 8.198 16.850 7.489 224 HE3 LYS 27 HE1 LYS 27 9.687 16.086 8.044 225 HZ1 LYS 27 HZ1 LYS 27 9.443 18.883 8.705 226 HZ2 LYS 27 HZ2 LYS 27 9.946 17.575 9.667 227 HZ3 LYS 27 HZ3 LYS 27 8.289 17.886 9.447 228 H LYS 28 HN LYS 28 8.947 15.992 2.454 229 HA LYS 28 HA LYS 28 10.990 17.656 1.081 230 HB2 LYS 28 HB2 LYS 28 9.180 15.646 -0.268 231 HB3 LYS 28 HB1 LYS 28 9.990 16.951 -1.137 232 HG2 LYS 28 HG2 LYS 28 12.175 16.119 -0.224 233 HG3 LYS 28 HG1 LYS 28 11.313 14.741 0.460 234 HD2 LYS 28 HD2 LYS 28 11.208 15.454 -2.481 235 HD3 LYS 28 HD1 LYS 28 12.398 14.340 -1.811 236 HE2 LYS 28 HE2 LYS 28 10.395 13.049 -0.833 237 HE3 LYS 28 HE1 LYS 28 9.392 14.025 -1.905 238 HZ1 LYS 28 HZ1 LYS 28 11.022 11.789 -2.523 239 HZ2 LYS 28 HZ2 LYS 28 11.477 13.135 -3.455 240 HZ3 LYS 28 HZ3 LYS 28 9.872 12.580 -3.488 241 H GLU 29 HN GLU 29 9.969 19.351 -0.230 242 HA GLU 29 HA GLU 29 7.172 19.988 0.661 243 HB2 GLU 29 HB2 GLU 29 9.559 21.809 0.299 244 HB3 GLU 29 HB1 GLU 29 7.907 22.397 0.498 245 HG2 GLU 29 HG2 GLU 29 7.732 21.253 2.659 246 HG3 GLU 29 HG1 GLU 29 9.354 20.588 2.458 247 H TYR 30 HN TYR 30 5.796 20.848 -0.891 248 HA TYR 30 HA TYR 30 6.873 21.307 -3.629 249 HB2 TYR 30 HB2 TYR 30 5.243 19.845 -4.655 250 HB3 TYR 30 HB1 TYR 30 6.129 18.911 -3.453 251 HD1 TYR 30 HD2 TYR 30 5.058 18.950 -0.995 252 HD2 TYR 30 HD1 TYR 30 2.905 19.741 -4.633 253 HE1 TYR 30 HE2 TYR 30 2.924 18.395 0.140 254 HE2 TYR 30 HE1 TYR 30 0.777 19.180 -3.494 255 HH TYR 30 HH TYR 30 0.141 17.682 -1.423 256 H GLU 31 HN GLU 31 5.276 22.433 -5.001 257 HA GLU 31 HA GLU 31 3.649 24.307 -3.378 258 HB2 GLU 31 HB2 GLU 31 4.529 24.311 -6.270 259 HB3 GLU 31 HB1 GLU 31 3.472 25.541 -5.575 260 HG2 GLU 31 HG2 GLU 31 5.189 26.121 -3.929 261 HG3 GLU 31 HG1 GLU 31 6.240 24.846 -4.546 262 H SER 32 HN SER 32 1.562 23.795 -3.069 263 HA SER 32 HA SER 32 0.110 22.243 -5.181 264 HB2 SER 32 HB2 SER 32 0.349 21.368 -2.759 265 HB3 SER 32 HB1 SER 32 -0.815 22.620 -2.336 266 HG SER 32 HG SER 32 -1.168 20.658 -4.360 267 H ASP 33 HN ASP 33 -0.955 23.620 -6.458 268 HA ASP 33 HA ASP 33 -2.261 25.403 -7.181 269 HB2 ASP 33 HB2 ASP 33 -3.511 24.819 -4.487 270 HB3 ASP 33 HB1 ASP 33 -4.181 25.995 -5.620 271 H GLY 34 HN GLY 34 0.238 26.098 -5.889 272 HA2 GLY 34 HA2 GLY 34 1.199 28.277 -5.653 273 HA3 GLY 34 HA1 GLY 34 -0.400 28.931 -5.320 274 H THR 35 HN THR 35 -0.195 26.251 -3.403 275 HA THR 35 HA THR 35 0.921 27.844 -1.108 276 HB THR 35 HB THR 35 -0.600 26.473 0.325 277 HG1 THR 35 HG1 THR 35 -0.762 24.913 -1.608 278 HG21 THR 35 HG21 THR 35 -1.326 28.676 -0.273 279 HG22 THR 35 HG22 THR 35 -2.709 27.611 -0.519 280 HG23 THR 35 HG23 THR 35 -1.760 28.157 -1.901 281 H THR 36 HN THR 36 2.700 27.047 -0.218 282 HA THR 36 HA THR 36 3.883 24.567 -1.087 283 HB THR 36 HB THR 36 4.620 26.210 1.342 284 HG1 THR 36 HG1 THR 36 5.283 27.655 -0.008 285 HG21 THR 36 HG21 THR 36 6.144 24.291 -0.437 286 HG22 THR 36 HG22 THR 36 5.736 24.061 1.264 287 HG23 THR 36 HG23 THR 36 6.893 25.307 0.795 288 H LYS 37 HN LYS 37 3.746 22.560 -0.201 289 HA LYS 37 HA LYS 37 2.556 22.262 2.523 290 HB2 LYS 37 HB2 LYS 37 1.681 20.843 0.001 291 HB3 LYS 37 HB1 LYS 37 1.234 20.312 1.624 292 HG2 LYS 37 HG2 LYS 37 0.236 22.544 2.057 293 HG3 LYS 37 HG1 LYS 37 0.634 23.024 0.407 294 HD2 LYS 37 HD2 LYS 37 -0.771 21.196 -0.469 295 HD3 LYS 37 HD1 LYS 37 -1.171 20.717 1.182 296 HE2 LYS 37 HE2 LYS 37 -2.181 22.928 1.588 297 HE3 LYS 37 HE1 LYS 37 -1.782 23.415 -0.060 298 HZ1 LYS 37 HZ1 LYS 37 -3.191 21.693 -0.916 299 HZ2 LYS 37 HZ2 LYS 37 -4.085 22.632 0.183 300 HZ3 LYS 37 HZ3 LYS 37 -3.505 21.103 0.642 301 H SER 38 HN SER 38 3.326 20.518 3.674 302 HA SER 38 HA SER 38 5.863 19.394 2.731 303 HB2 SER 38 HB2 SER 38 4.379 18.767 5.286 304 HB3 SER 38 HB1 SER 38 6.097 18.548 4.967 305 HG SER 38 HG SER 38 4.618 20.899 5.390 306 H VAL 39 HN VAL 39 6.259 17.217 2.299 307 HA VAL 39 HA VAL 39 3.969 15.319 2.423 308 HB VAL 39 HB VAL 39 4.022 16.323 0.138 309 HG11 VAL 39 HG11 VAL 39 5.887 15.881 -1.345 310 HG12 VAL 39 HG12 VAL 39 6.725 14.971 -0.089 311 HG13 VAL 39 HG13 VAL 39 6.494 16.711 0.087 312 HG21 VAL 39 HG21 VAL 39 4.726 13.396 0.466 313 HG22 VAL 39 HG22 VAL 39 4.213 14.091 -1.070 314 HG23 VAL 39 HG23 VAL 39 3.126 14.115 0.315 315 H TYR 40 HN TYR 40 4.608 13.282 2.973 316 HA TYR 40 HA TYR 40 7.525 12.867 3.470 317 HB2 TYR 40 HB2 TYR 40 5.055 11.494 4.555 318 HB3 TYR 40 HB1 TYR 40 6.706 10.994 4.929 319 HD1 TYR 40 HD1 TYR 40 4.250 13.762 5.234 320 HD2 TYR 40 HD2 TYR 40 8.080 12.241 6.440 321 HE1 TYR 40 HE1 TYR 40 4.393 15.512 6.986 322 HE2 TYR 40 HE2 TYR 40 8.225 13.990 8.192 323 HH TYR 40 HH TYR 40 6.473 16.688 8.240 324 H GLN 41 HN GLN 41 8.621 11.295 2.397 325 HA GLN 41 HA GLN 41 7.082 9.527 0.518 326 HB2 GLN 41 HB2 GLN 41 9.676 11.026 0.259 327 HB3 GLN 41 HB1 GLN 41 9.458 9.537 -0.657 328 HG2 GLN 41 HG2 GLN 41 8.761 11.436 -2.019 329 HG3 GLN 41 HG1 GLN 41 7.347 10.472 -1.601 330 HE21 GLN 41 HE21 GLN 41 8.859 12.510 0.858 331 HE22 GLN 41 HE22 GLN 41 7.620 13.667 0.913 332 H GLY 42 HN GLY 42 7.846 7.370 0.289 333 HA2 GLY 42 HA2 GLY 42 10.089 6.376 1.815 334 HA3 GLY 42 HA1 GLY 42 8.562 6.020 2.622 335 H TYR 43 HN TYR 43 9.500 3.770 2.098 336 HA TYR 43 HA TYR 43 8.383 2.857 -0.533 337 HB2 TYR 43 HB2 TYR 43 10.951 1.991 0.818 338 HB3 TYR 43 HB1 TYR 43 10.219 1.135 -0.539 339 HD1 TYR 43 HD1 TYR 43 11.796 4.313 0.532 340 HD2 TYR 43 HD2 TYR 43 10.277 2.026 -2.769 341 HE1 TYR 43 HE1 TYR 43 12.843 5.908 -1.054 342 HE2 TYR 43 HE2 TYR 43 11.322 3.618 -4.356 343 HH TYR 43 HH TYR 43 13.168 6.437 -3.179 344 H ILE 44 HN ILE 44 7.123 1.039 -0.402 345 HA ILE 44 HA ILE 44 6.805 -0.207 2.307 346 HB ILE 44 HB ILE 44 4.815 1.043 1.506 347 HG12 ILE 44 HG12 ILE 44 4.336 -1.945 1.406 348 HG13 ILE 44 HG11 ILE 44 4.697 -1.080 2.900 349 HG21 ILE 44 HG21 ILE 44 4.633 -1.036 -0.684 350 HG22 ILE 44 HG22 ILE 44 5.331 0.561 -0.951 351 HG23 ILE 44 HG23 ILE 44 3.642 0.406 -0.471 352 HD11 ILE 44 HD11 ILE 44 2.293 -1.241 2.704 353 HD12 ILE 44 HD12 ILE 44 2.341 -0.620 1.055 354 HD13 ILE 44 HD13 ILE 44 2.747 0.436 2.407 355 H GLU 45 HN GLU 45 7.231 -2.340 2.449 356 HA GLU 45 HA GLU 45 7.490 -3.907 -0.114 357 HB2 GLU 45 HB2 GLU 45 9.691 -3.396 0.947 358 HB3 GLU 45 HB1 GLU 45 9.142 -4.217 2.409 359 HG2 GLU 45 HG2 GLU 45 8.850 -6.306 1.158 360 HG3 GLU 45 HG1 GLU 45 9.327 -5.497 -0.333 361 H ASP 46 HN ASP 46 6.889 -6.108 -0.008 362 HA ASP 46 HA ASP 46 5.753 -7.179 2.480 363 HB2 ASP 46 HB2 ASP 46 3.959 -5.724 1.343 364 HB3 ASP 46 HB1 ASP 46 3.938 -6.947 0.073 365 H ASP 47 HN ASP 47 4.257 -9.250 1.287 366 HA ASP 47 HA ASP 47 6.378 -11.045 0.466 367 HB2 ASP 47 HB2 ASP 47 3.371 -11.341 0.632 368 HB3 ASP 47 HB1 ASP 47 4.451 -12.664 0.192 369 H THR 48 HN THR 48 4.685 -8.747 -1.271 370 HA THR 48 HA THR 48 4.672 -10.351 -3.799 371 HB THR 48 HB THR 48 3.222 -8.727 -4.707 372 HG1 THR 48 HG1 THR 48 2.984 -6.689 -3.727 373 HG21 THR 48 HG21 THR 48 2.109 -10.036 -2.949 374 HG22 THR 48 HG22 THR 48 1.463 -8.397 -3.010 375 HG23 THR 48 HG23 THR 48 2.599 -8.845 -1.741 376 H ALA 49 HN ALA 49 5.567 -7.003 -2.851 377 HA ALA 49 HA ALA 49 8.258 -7.280 -3.863 378 HB1 ALA 49 HB1 ALA 49 8.124 -6.024 -5.893 379 HB2 ALA 49 HB2 ALA 49 6.439 -5.602 -5.595 380 HB3 ALA 49 HB3 ALA 49 6.875 -7.260 -5.997 381 H ARG 50 HN ARG 50 8.372 -4.495 -4.818 382 HA ARG 50 HA ARG 50 7.722 -2.992 -2.315 383 HB2 ARG 50 HB2 ARG 50 10.092 -3.728 -2.247 384 HB3 ARG 50 HB1 ARG 50 10.374 -2.916 -3.786 385 HG2 ARG 50 HG2 ARG 50 9.713 -0.756 -2.744 386 HG3 ARG 50 HG1 ARG 50 9.491 -1.586 -1.205 387 HD2 ARG 50 HD2 ARG 50 12.101 -1.560 -2.746 388 HD3 ARG 50 HD1 ARG 50 11.722 -0.445 -1.435 389 HE ARG 50 HE ARG 50 11.301 -3.074 -0.465 390 HH11 ARG 50 HH21 ARG 50 13.835 -1.036 -1.625 391 HH12 ARG 50 HH22 ARG 50 15.056 -1.780 -0.649 392 HH21 ARG 50 HH11 ARG 50 12.888 -4.047 0.811 393 HH22 ARG 50 HH12 ARG 50 14.520 -3.480 0.727 394 H ILE 51 HN ILE 51 7.243 -0.800 -2.635 395 HA ILE 51 HA ILE 51 7.558 0.359 -5.336 396 HB ILE 51 HB ILE 51 5.398 -0.822 -5.466 397 HG12 ILE 51 HG12 ILE 51 4.944 2.162 -5.225 398 HG13 ILE 51 HG11 ILE 51 5.826 1.431 -6.567 399 HG21 ILE 51 HG21 ILE 51 4.571 0.998 -3.185 400 HG22 ILE 51 HG22 ILE 51 4.888 -0.730 -3.029 401 HG23 ILE 51 HG23 ILE 51 3.544 -0.165 -4.021 402 HD11 ILE 51 HD11 ILE 51 2.956 0.864 -5.773 403 HD12 ILE 51 HD12 ILE 51 3.834 -0.012 -7.026 404 HD13 ILE 51 HD13 ILE 51 3.500 1.709 -7.222 405 H ARG 52 HN ARG 52 7.397 2.639 -5.340 406 HA ARG 52 HA ARG 52 8.097 3.914 -2.834 407 HB2 ARG 52 HB2 ARG 52 8.988 4.640 -5.035 408 HB3 ARG 52 HB1 ARG 52 7.368 5.158 -5.499 409 HG2 ARG 52 HG2 ARG 52 7.330 6.763 -3.628 410 HG3 ARG 52 HG1 ARG 52 8.938 6.233 -3.135 411 HD2 ARG 52 HD2 ARG 52 9.785 6.917 -5.399 412 HD3 ARG 52 HD1 ARG 52 8.191 7.591 -5.738 413 HE ARG 52 HE ARG 52 9.305 8.612 -3.258 414 HH11 ARG 52 HH21 ARG 52 9.279 8.873 -6.697 415 HH12 ARG 52 HH22 ARG 52 9.747 10.540 -6.701 416 HH21 ARG 52 HH11 ARG 52 9.915 10.778 -3.251 417 HH22 ARG 52 HH12 ARG 52 10.106 11.618 -4.754 418 H ILE 53 HN ILE 53 6.887 5.400 -1.624 419 HA ILE 53 HA ILE 53 3.998 5.721 -2.338 420 HB ILE 53 HB ILE 53 3.416 5.432 0.052 421 HG12 ILE 53 HG12 ILE 53 6.264 4.437 0.384 422 HG13 ILE 53 HG11 ILE 53 5.721 6.025 0.924 423 HG21 ILE 53 HG21 ILE 53 4.962 3.014 -0.882 424 HG22 ILE 53 HG22 ILE 53 3.482 3.533 -1.688 425 HG23 ILE 53 HG23 ILE 53 3.443 3.066 0.011 426 HD11 ILE 53 HD11 ILE 53 4.028 4.960 2.364 427 HD12 ILE 53 HD12 ILE 53 5.647 4.392 2.771 428 HD13 ILE 53 HD13 ILE 53 4.565 3.371 1.824 429 H SER 54 HN SER 54 3.003 7.602 -1.327 430 HA SER 54 HA SER 54 4.884 9.613 -0.207 431 HB2 SER 54 HB2 SER 54 3.154 10.058 -2.653 432 HB3 SER 54 HB1 SER 54 3.994 11.337 -1.779 433 HG SER 54 HG SER 54 5.091 10.328 -3.664 434 H SER 55 HN SER 55 3.936 10.559 1.502 435 HA SER 55 HA SER 55 0.947 10.473 1.721 436 HB2 SER 55 HB2 SER 55 1.967 9.119 3.439 437 HB3 SER 55 HB1 SER 55 3.103 10.404 3.841 438 HG SER 55 HG SER 55 0.301 10.309 4.231 439 H PHE 56 HN PHE 56 -0.069 12.388 1.771 440 HA PHE 56 HA PHE 56 1.590 14.852 1.891 441 HB2 PHE 56 HB2 PHE 56 -1.245 14.274 1.036 442 HB3 PHE 56 HB1 PHE 56 -0.612 15.917 1.171 443 HD1 PHE 56 HD2 PHE 56 1.527 16.493 -0.113 444 HD2 PHE 56 HD1 PHE 56 -0.787 12.958 -0.884 445 HE1 PHE 56 HE2 PHE 56 2.614 16.267 -2.329 446 HE2 PHE 56 HE1 PHE 56 0.304 12.729 -3.101 447 HZ PHE 56 HZ PHE 56 2.004 14.383 -3.823 448 H GLY 57 HN GLY 57 1.767 15.950 3.726 449 HA2 GLY 57 HA2 GLY 57 1.086 17.059 5.695 450 HA3 GLY 57 HA1 GLY 57 -0.539 16.432 5.447 451 H LYS 58 HN LYS 58 -0.118 13.700 5.455 452 HA LYS 58 HA LYS 58 0.396 13.256 8.306 453 HB2 LYS 58 HB2 LYS 58 -0.489 11.438 6.064 454 HB3 LYS 58 HB1 LYS 58 -0.265 10.886 7.725 455 HG2 LYS 58 HG2 LYS 58 -1.890 12.582 8.503 456 HG3 LYS 58 HG1 LYS 58 -2.122 13.117 6.838 457 HD2 LYS 58 HD2 LYS 58 -2.986 10.924 6.209 458 HD3 LYS 58 HD1 LYS 58 -2.658 10.302 7.827 459 HE2 LYS 58 HE2 LYS 58 -5.032 10.891 7.621 460 HE3 LYS 58 HE1 LYS 58 -4.239 11.964 8.773 461 HZ1 LYS 58 HZ1 LYS 58 -4.056 13.644 7.089 462 HZ2 LYS 58 HZ2 LYS 58 -5.677 13.143 7.188 463 HZ3 LYS 58 HZ3 LYS 58 -4.695 12.605 5.910 464 H GLN 59 HN GLN 59 2.145 12.322 9.191 465 HA GLN 59 HA GLN 59 4.479 11.787 7.461 466 HB2 GLN 59 HB2 GLN 59 5.787 11.893 9.451 467 HB3 GLN 59 HB1 GLN 59 4.580 13.166 9.600 468 HG2 GLN 59 HG2 GLN 59 4.547 10.447 10.946 469 HG3 GLN 59 HG1 GLN 59 4.675 12.023 11.718 470 HE21 GLN 59 HE21 GLN 59 2.478 9.630 11.326 471 HE22 GLN 59 HE22 GLN 59 1.046 10.539 11.266 472 H LEU 60 HN LEU 60 5.827 9.835 7.980 473 HA LEU 60 HA LEU 60 4.126 7.455 8.666 474 HB2 LEU 60 HB2 LEU 60 6.334 7.637 6.606 475 HB3 LEU 60 HB1 LEU 60 5.392 6.197 6.981 476 HG LEU 60 HG LEU 60 4.272 8.802 5.905 477 HD11 LEU 60 HD11 LEU 60 5.692 7.388 4.334 478 HD12 LEU 60 HD12 LEU 60 4.032 7.669 3.806 479 HD13 LEU 60 HD13 LEU 60 4.480 6.119 4.518 480 HD21 LEU 60 HD21 LEU 60 3.035 6.194 6.788 481 HD22 LEU 60 HD22 LEU 60 2.267 7.138 5.511 482 HD23 LEU 60 HD23 LEU 60 2.494 7.843 7.105 483 H GLN 61 HN GLN 61 5.317 5.656 9.558 484 HA GLN 61 HA GLN 61 7.728 6.535 11.096 485 HB2 GLN 61 HB2 GLN 61 5.500 4.588 11.636 486 HB3 GLN 61 HB1 GLN 61 7.031 4.449 12.504 487 HG2 GLN 61 HG2 GLN 61 5.427 7.014 12.358 488 HG3 GLN 61 HG1 GLN 61 5.249 5.839 13.661 489 HE21 GLN 61 HE21 GLN 61 6.984 5.652 15.216 490 HE22 GLN 61 HE22 GLN 61 8.284 6.744 15.253 491 H ASP 62 HN ASP 62 9.603 5.518 10.804 492 HA ASP 62 HA ASP 62 10.081 3.854 8.562 493 HB2 ASP 62 HB2 ASP 62 11.778 5.275 9.703 494 HB3 ASP 62 HB1 ASP 62 11.788 4.129 11.042 495 H SER 63 HN SER 63 10.362 1.684 8.314 496 HA SER 63 HA SER 63 9.908 -0.568 8.679 497 HB2 SER 63 HB2 SER 63 10.873 -0.141 11.500 498 HB3 SER 63 HB1 SER 63 11.095 -1.547 10.460 499 HG SER 63 HG SER 63 12.147 1.035 9.923 500 H ASP 64 HN ASP 64 7.760 1.370 9.309 501 HA ASP 64 HA ASP 64 6.370 0.046 11.587 502 HB2 ASP 64 HB2 ASP 64 6.346 2.483 11.445 503 HB3 ASP 64 HB1 ASP 64 5.547 2.397 9.877 504 H VAL 65 HN VAL 65 4.843 -1.474 11.302 505 HA VAL 65 HA VAL 65 4.033 -2.224 8.560 506 HB VAL 65 HB VAL 65 3.461 -3.495 11.246 507 HG11 VAL 65 HG11 VAL 65 2.819 -4.303 8.401 508 HG12 VAL 65 HG12 VAL 65 1.705 -4.132 9.758 509 HG13 VAL 65 HG13 VAL 65 2.859 -5.465 9.726 510 HG21 VAL 65 HG21 VAL 65 5.381 -4.240 9.012 511 HG22 VAL 65 HG22 VAL 65 5.106 -5.184 10.477 512 HG23 VAL 65 HG23 VAL 65 5.839 -3.583 10.583 513 H VAL 66 HN VAL 66 2.336 -1.082 7.743 514 HA VAL 66 HA VAL 66 -0.074 -0.757 9.489 515 HB VAL 66 HB VAL 66 -0.375 1.543 8.794 516 HG11 VAL 66 HG11 VAL 66 1.317 2.537 10.105 517 HG12 VAL 66 HG12 VAL 66 2.525 1.352 9.610 518 HG13 VAL 66 HG13 VAL 66 1.239 0.887 10.719 519 HG21 VAL 66 HG21 VAL 66 2.099 1.010 7.138 520 HG22 VAL 66 HG22 VAL 66 1.538 2.641 7.506 521 HG23 VAL 66 HG23 VAL 66 0.516 1.548 6.575 522 H ARG 67 HN ARG 67 -1.994 -0.151 8.206 523 HA ARG 67 HA ARG 67 -1.933 -1.343 5.459 524 HB2 ARG 67 HB2 ARG 67 -3.142 -2.740 7.101 525 HB3 ARG 67 HB1 ARG 67 -4.170 -1.366 7.502 526 HG2 ARG 67 HG2 ARG 67 -5.047 -1.293 5.240 527 HG3 ARG 67 HG1 ARG 67 -3.930 -2.555 4.726 528 HD2 ARG 67 HD2 ARG 67 -6.117 -3.553 5.134 529 HD3 ARG 67 HD1 ARG 67 -4.995 -4.109 6.376 530 HE ARG 67 HE ARG 67 -6.338 -1.750 7.292 531 HH11 ARG 67 HH21 ARG 67 -6.818 -5.100 6.612 532 HH12 ARG 67 HH22 ARG 67 -8.092 -5.283 7.772 533 HH21 ARG 67 HH11 ARG 67 -7.989 -1.976 8.799 534 HH22 ARG 67 HH12 ARG 67 -8.755 -3.516 9.008 535 H ILE 68 HN ILE 68 -2.528 0.053 3.876 536 HA ILE 68 HA ILE 68 -3.855 2.616 4.680 537 HB ILE 68 HB ILE 68 -2.295 1.942 2.169 538 HG12 ILE 68 HG12 ILE 68 -1.504 3.661 4.540 539 HG13 ILE 68 HG11 ILE 68 -0.976 1.993 4.326 540 HG21 ILE 68 HG21 ILE 68 -3.987 3.722 1.860 541 HG22 ILE 68 HG22 ILE 68 -2.360 4.398 1.827 542 HG23 ILE 68 HG23 ILE 68 -3.357 4.564 3.272 543 HD11 ILE 68 HD11 ILE 68 0.125 2.563 2.231 544 HD12 ILE 68 HD12 ILE 68 0.694 3.656 3.492 545 HD13 ILE 68 HD13 ILE 68 -0.497 4.211 2.315 546 H ASP 69 HN ASP 69 -5.901 2.928 4.053 547 HA ASP 69 HA ASP 69 -7.076 1.129 1.961 548 HB2 ASP 69 HB2 ASP 69 -8.295 2.534 4.341 549 HB3 ASP 69 HB1 ASP 69 -9.261 1.781 3.073 550 H ASN 70 HN ASN 70 -8.277 2.032 0.323 551 HA ASN 70 HA ASN 70 -8.961 3.635 -1.222 552 HB2 ASN 70 HB2 ASN 70 -10.148 4.489 0.900 553 HB3 ASN 70 HB1 ASN 70 -8.849 5.671 1.009 554 HD21 ASN 70 HD21 ASN 70 -10.088 7.543 0.432 555 HD22 ASN 70 HD22 ASN 70 -10.803 7.732 -1.094 556 H ALA 71 HN ALA 71 -6.189 3.076 -0.934 557 HA ALA 71 HA ALA 71 -4.655 5.545 -0.921 558 HB1 ALA 71 HB1 ALA 71 -3.763 2.928 -2.136 559 HB2 ALA 71 HB2 ALA 71 -3.820 3.164 -0.391 560 HB3 ALA 71 HB3 ALA 71 -2.771 4.177 -1.381 561 H ARG 72 HN ARG 72 -4.146 6.835 -2.638 562 HA ARG 72 HA ARG 72 -5.501 6.299 -5.203 563 HB2 ARG 72 HB2 ARG 72 -5.571 8.543 -4.150 564 HB3 ARG 72 HB1 ARG 72 -3.820 8.656 -4.316 565 HG2 ARG 72 HG2 ARG 72 -4.006 8.495 -6.749 566 HG3 ARG 72 HG1 ARG 72 -5.753 8.285 -6.623 567 HD2 ARG 72 HD2 ARG 72 -5.915 10.519 -5.539 568 HD3 ARG 72 HD1 ARG 72 -4.181 10.732 -5.764 569 HE ARG 72 HE ARG 72 -4.549 11.050 -8.098 570 HH11 ARG 72 HH21 ARG 72 -7.401 10.058 -6.419 571 HH12 ARG 72 HH22 ARG 72 -8.455 10.426 -7.741 572 HH21 ARG 72 HH11 ARG 72 -5.911 11.531 -9.814 573 HH22 ARG 72 HH12 ARG 72 -7.615 11.259 -9.661 574 H VAL 73 HN VAL 73 -4.478 5.748 -7.076 575 HA VAL 73 HA VAL 73 -1.584 5.089 -6.909 576 HB VAL 73 HB VAL 73 -3.747 4.349 -8.894 577 HG11 VAL 73 HG11 VAL 73 -0.772 3.804 -8.866 578 HG12 VAL 73 HG12 VAL 73 -1.740 4.480 -10.176 579 HG13 VAL 73 HG13 VAL 73 -1.903 2.777 -9.746 580 HG21 VAL 73 HG21 VAL 73 -3.446 2.111 -7.966 581 HG22 VAL 73 HG22 VAL 73 -3.771 3.241 -6.651 582 HG23 VAL 73 HG23 VAL 73 -2.126 2.681 -6.947 583 H ALA 74 HN ALA 74 -0.080 6.234 -8.022 584 HA ALA 74 HA ALA 74 -0.968 8.068 -10.208 585 HB1 ALA 74 HB1 ALA 74 0.860 8.855 -7.923 586 HB2 ALA 74 HB2 ALA 74 -0.814 9.379 -8.101 587 HB3 ALA 74 HB3 ALA 74 0.396 9.876 -9.284 588 H GLN 75 HN GLN 75 0.745 8.617 -11.664 589 HA GLN 75 HA GLN 75 3.102 6.758 -11.549 590 HB2 GLN 75 HB2 GLN 75 1.545 6.197 -13.368 591 HB3 GLN 75 HB1 GLN 75 1.620 7.858 -13.955 592 HG2 GLN 75 HG2 GLN 75 3.982 7.640 -14.456 593 HG3 GLN 75 HG1 GLN 75 4.035 6.047 -13.703 594 HE21 GLN 75 HE21 GLN 75 3.973 4.395 -15.212 595 HE22 GLN 75 HE22 GLN 75 3.177 4.465 -16.709 596 H PHE 76 HN PHE 76 4.906 7.895 -11.103 597 HA PHE 76 HA PHE 76 5.233 10.622 -12.318 598 HB2 PHE 76 HB2 PHE 76 5.982 9.635 -9.562 599 HB3 PHE 76 HB1 PHE 76 6.667 11.100 -10.268 600 HD1 PHE 76 HD2 PHE 76 5.012 12.863 -11.182 601 HD2 PHE 76 HD1 PHE 76 3.882 9.719 -8.483 602 HE1 PHE 76 HE2 PHE 76 2.984 14.138 -10.548 603 HE2 PHE 76 HE1 PHE 76 1.853 10.996 -7.847 604 HZ PHE 76 HZ PHE 76 1.403 13.205 -8.881 605 H ASN 77 HN ASN 77 7.063 10.930 -13.422 606 HA ASN 77 HA ASN 77 9.059 10.439 -14.518 607 HB2 ASN 77 HB2 ASN 77 9.617 9.261 -11.781 608 HB3 ASN 77 HB1 ASN 77 10.833 9.348 -13.054 609 HD21 ASN 77 HD21 ASN 77 9.911 11.942 -14.148 610 HD22 ASN 77 HD22 ASN 77 10.314 13.120 -12.996 611 H GLY 78 HN GLY 78 6.815 8.545 -14.717 612 HA2 GLY 78 HA2 GLY 78 6.508 6.561 -15.955 613 HA3 GLY 78 HA1 GLY 78 8.261 6.405 -16.062 614 H TYR 79 HN TYR 79 7.345 6.886 -12.865 615 HA TYR 79 HA TYR 79 7.467 3.936 -12.315 616 HB2 TYR 79 HB2 TYR 79 8.442 6.296 -10.697 617 HB3 TYR 79 HB1 TYR 79 8.381 4.641 -10.083 618 HD1 TYR 79 HD2 TYR 79 9.675 2.831 -11.280 619 HD2 TYR 79 HD1 TYR 79 10.194 7.005 -12.158 620 HE1 TYR 79 HE2 TYR 79 11.835 2.329 -12.388 621 HE2 TYR 79 HE1 TYR 79 12.355 6.500 -13.267 622 HH TYR 79 HH TYR 79 13.291 4.096 -14.464 623 H LEU 80 HN LEU 80 5.840 3.049 -11.171 624 HA LEU 80 HA LEU 80 3.484 4.671 -10.578 625 HB2 LEU 80 HB2 LEU 80 4.063 1.744 -10.058 626 HB3 LEU 80 HB1 LEU 80 2.481 2.509 -9.915 627 HG LEU 80 HG LEU 80 4.139 2.381 -12.456 628 HD11 LEU 80 HD11 LEU 80 1.716 0.815 -11.526 629 HD12 LEU 80 HD12 LEU 80 3.307 0.175 -11.938 630 HD13 LEU 80 HD13 LEU 80 2.273 0.846 -13.199 631 HD21 LEU 80 HD21 LEU 80 1.755 3.049 -13.376 632 HD22 LEU 80 HD22 LEU 80 2.805 4.296 -12.717 633 HD23 LEU 80 HD23 LEU 80 1.493 3.640 -11.735 634 H SER 81 HN SER 81 2.668 5.182 -8.565 635 HA SER 81 HA SER 81 4.042 4.207 -6.140 636 HB2 SER 81 HB2 SER 81 3.920 7.157 -6.827 637 HB3 SER 81 HB1 SER 81 4.512 6.476 -5.316 638 HG SER 81 HG SER 81 5.663 6.536 -7.845 639 H LEU 82 HN LEU 82 2.839 4.797 -4.191 640 HA LEU 82 HA LEU 82 -0.063 5.245 -4.767 641 HB2 LEU 82 HB2 LEU 82 1.287 4.101 -2.306 642 HB3 LEU 82 HB1 LEU 82 -0.451 4.162 -2.602 643 HG LEU 82 HG LEU 82 1.576 2.661 -4.291 644 HD11 LEU 82 HD11 LEU 82 0.574 0.647 -3.358 645 HD12 LEU 82 HD12 LEU 82 -0.587 1.608 -2.444 646 HD13 LEU 82 HD13 LEU 82 1.127 1.675 -2.036 647 HD21 LEU 82 HD21 LEU 82 -0.718 1.660 -5.149 648 HD22 LEU 82 HD22 LEU 82 -0.135 3.188 -5.802 649 HD23 LEU 82 HD23 LEU 82 -1.383 3.182 -4.554 650 H SER 83 HN SER 83 -0.956 7.118 -4.149 651 HA SER 83 HA SER 83 0.583 8.913 -2.310 652 HB2 SER 83 HB2 SER 83 -1.506 9.490 -4.423 653 HB3 SER 83 HB1 SER 83 -0.878 10.706 -3.313 654 HG SER 83 HG SER 83 0.197 9.788 -5.576 655 H VAL 84 HN VAL 84 -0.227 9.207 -0.323 656 HA VAL 84 HA VAL 84 -2.992 8.276 0.271 657 HB VAL 84 HB VAL 84 -0.830 9.114 2.208 658 HG11 VAL 84 HG11 VAL 84 -2.153 7.660 3.738 659 HG12 VAL 84 HG12 VAL 84 -3.349 7.463 2.459 660 HG13 VAL 84 HG13 VAL 84 -3.060 9.056 3.160 661 HG21 VAL 84 HG21 VAL 84 -0.441 6.633 2.427 662 HG22 VAL 84 HG22 VAL 84 0.061 7.298 0.873 663 HG23 VAL 84 HG23 VAL 84 -1.455 6.406 1.002 664 H GLY 85 HN GLY 85 -4.475 9.838 0.074 665 HA2 GLY 85 HA2 GLY 85 -3.789 12.672 0.547 666 HA3 GLY 85 HA1 GLY 85 -5.300 12.065 -0.125 667 H ASP 86 HN ASP 86 -5.804 13.875 1.637 668 HA ASP 86 HA ASP 86 -5.837 13.031 4.405 669 HB2 ASP 86 HB2 ASP 86 -7.370 14.960 4.710 670 HB3 ASP 86 HB1 ASP 86 -5.938 15.407 3.783 671 H SER 87 HN SER 87 -7.781 12.309 1.670 672 HA SER 87 HA SER 87 -10.167 11.583 3.237 673 HB2 SER 87 HB2 SER 87 -11.083 10.900 1.069 674 HB3 SER 87 HB1 SER 87 -10.327 12.483 0.914 675 HG SER 87 HG SER 87 -8.378 11.001 0.396 676 H SER 88 HN SER 88 -7.188 10.169 2.574 677 HA SER 88 HA SER 88 -8.113 7.406 2.344 678 HB2 SER 88 HB2 SER 88 -5.413 8.697 2.661 679 HB3 SER 88 HB1 SER 88 -5.606 6.947 2.750 680 HG SER 88 HG SER 88 -6.979 7.915 0.664 681 H ARG 89 HN ARG 89 -7.350 5.738 3.942 682 HA ARG 89 HA ARG 89 -7.373 6.823 6.746 683 HB2 ARG 89 HB2 ARG 89 -9.569 5.785 5.976 684 HB3 ARG 89 HB1 ARG 89 -8.700 4.255 5.878 685 HG2 ARG 89 HG2 ARG 89 -9.531 4.137 8.055 686 HG3 ARG 89 HG1 ARG 89 -7.951 4.860 8.350 687 HD2 ARG 89 HD2 ARG 89 -9.002 7.116 8.317 688 HD3 ARG 89 HD1 ARG 89 -10.571 6.363 8.061 689 HE ARG 89 HE ARG 89 -10.571 5.652 10.326 690 HH11 ARG 89 HH21 ARG 89 -7.550 7.023 9.348 691 HH12 ARG 89 HH22 ARG 89 -6.943 7.145 10.964 692 HH21 ARG 89 HH11 ARG 89 -9.791 5.812 12.418 693 HH22 ARG 89 HH12 ARG 89 -8.211 6.461 12.702 694 H ILE 90 HN ILE 90 -5.812 6.017 8.038 695 HA ILE 90 HA ILE 90 -4.165 3.731 6.999 696 HB ILE 90 HB ILE 90 -3.383 6.068 8.762 697 HG12 ILE 90 HG12 ILE 90 -2.437 5.317 5.982 698 HG13 ILE 90 HG11 ILE 90 -3.729 6.480 6.280 699 HG21 ILE 90 HG21 ILE 90 -1.059 5.066 8.348 700 HG22 ILE 90 HG22 ILE 90 -1.897 3.608 7.814 701 HG23 ILE 90 HG23 ILE 90 -2.097 4.186 9.469 702 HD11 ILE 90 HD11 ILE 90 -2.142 7.791 7.712 703 HD12 ILE 90 HD12 ILE 90 -1.643 7.696 6.023 704 HD13 ILE 90 HD13 ILE 90 -0.859 6.680 7.233 705 H GLU 91 HN GLU 91 -4.101 1.949 8.251 706 HA GLU 91 HA GLU 91 -4.962 2.155 11.120 707 HB2 GLU 91 HB2 GLU 91 -5.526 -0.026 9.089 708 HB3 GLU 91 HB1 GLU 91 -5.877 -0.167 10.812 709 HG2 GLU 91 HG2 GLU 91 -6.982 2.003 8.999 710 HG3 GLU 91 HG1 GLU 91 -7.867 0.557 9.486 711 H SER 92 HN SER 92 -3.289 1.729 12.395 712 HA SER 92 HA SER 92 -0.903 0.399 11.410 713 HB2 SER 92 HB2 SER 92 -1.696 1.333 14.174 714 HB3 SER 92 HB1 SER 92 -0.105 0.699 13.763 715 HG SER 92 HG SER 92 -1.405 2.997 12.717 716 H VAL 93 HN VAL 93 -0.092 -1.621 12.049 717 HA VAL 93 HA VAL 93 -1.877 -3.369 13.682 718 HB VAL 93 HB VAL 93 -0.742 -4.090 10.962 719 HG11 VAL 93 HG11 VAL 93 -2.172 -6.158 11.354 720 HG12 VAL 93 HG12 VAL 93 -2.306 -5.644 13.037 721 HG13 VAL 93 HG13 VAL 93 -0.727 -6.042 12.359 722 HG21 VAL 93 HG21 VAL 93 -2.656 -2.672 10.662 723 HG22 VAL 93 HG22 VAL 93 -3.535 -3.473 11.963 724 HG23 VAL 93 HG23 VAL 93 -3.235 -4.325 10.448 725 H ASN 94 HN ASN 94 -0.170 -2.998 15.261 726 HA ASN 94 HA ASN 94 1.871 -5.044 15.183 727 HB2 ASN 94 HB2 ASN 94 2.861 -3.139 13.759 728 HB3 ASN 94 HB1 ASN 94 2.928 -2.208 15.257 729 HD21 ASN 94 HD21 ASN 94 5.324 -2.955 13.884 730 HD22 ASN 94 HD22 ASN 94 6.164 -4.077 14.840 731 H VAL 95 HN VAL 95 0.497 -2.154 16.647 732 HA VAL 95 HA VAL 95 1.349 -3.176 19.341 733 HB VAL 95 HB VAL 95 0.886 -0.342 18.390 734 HG11 VAL 95 HG11 VAL 95 1.103 -1.504 21.175 735 HG12 VAL 95 HG12 VAL 95 -0.116 -0.394 20.551 736 HG13 VAL 95 HG13 VAL 95 1.529 0.173 20.840 737 HG21 VAL 95 HG21 VAL 95 3.120 -1.543 18.032 738 HG22 VAL 95 HG22 VAL 95 3.270 -1.579 19.788 739 HG23 VAL 95 HG23 VAL 95 3.199 -0.034 18.941 740 H ASN 96 HN ASN 96 -0.222 -3.674 20.732 741 HA ASN 96 HA ASN 96 -2.959 -2.582 20.363 742 HB2 ASN 96 HB2 ASN 96 -3.901 -4.899 20.647 743 HB3 ASN 96 HB1 ASN 96 -3.044 -4.669 19.124 744 HD21 ASN 96 HD21 ASN 96 -3.059 -7.224 19.533 745 HD22 ASN 96 HD22 ASN 96 -1.675 -7.831 20.305 746 H ILE 97 HN ILE 97 -2.544 -1.430 22.320 747 HA ILE 97 HA ILE 97 -2.796 -3.102 24.762 748 HB ILE 97 HB ILE 97 -0.787 -0.837 24.650 749 HG12 ILE 97 HG12 ILE 97 -0.314 -3.814 24.259 750 HG13 ILE 97 HG11 ILE 97 -0.023 -2.547 23.069 751 HG21 ILE 97 HG21 ILE 97 -1.808 -1.672 26.835 752 HG22 ILE 97 HG22 ILE 97 -0.047 -1.724 26.752 753 HG23 ILE 97 HG23 ILE 97 -0.985 -3.201 26.531 754 HD11 ILE 97 HD11 ILE 97 1.554 -1.510 24.840 755 HD12 ILE 97 HD12 ILE 97 2.114 -2.956 24.001 756 HD13 ILE 97 HD13 ILE 97 1.471 -3.080 25.638 757 HA PRO 98 HA PRO 98 -5.328 0.900 24.519 758 HB2 PRO 98 HB2 PRO 98 -7.817 -0.297 24.730 759 HB3 PRO 98 HB1 PRO 98 -7.028 0.087 23.188 760 HG2 PRO 98 HG2 PRO 98 -7.205 -2.520 24.624 761 HG3 PRO 98 HG1 PRO 98 -7.281 -2.182 22.886 762 HD2 PRO 98 HD2 PRO 98 -5.029 -3.163 24.107 763 HD3 PRO 98 HD1 PRO 98 -4.967 -2.137 22.658 764 H LEU 99 HN LEU 99 -6.376 1.884 26.310 765 HA LEU 99 HA LEU 99 -5.808 0.597 28.888 766 HB2 LEU 99 HB2 LEU 99 -5.484 3.104 28.217 767 HB3 LEU 99 HB1 LEU 99 -7.212 3.240 28.522 768 HG LEU 99 HG LEU 99 -6.638 2.049 30.799 769 HD11 LEU 99 HD11 LEU 99 -4.362 2.722 31.621 770 HD12 LEU 99 HD12 LEU 99 -3.953 3.215 29.978 771 HD13 LEU 99 HD13 LEU 99 -4.297 1.524 30.331 772 HD21 LEU 99 HD21 LEU 99 -5.949 4.937 30.164 773 HD22 LEU 99 HD22 LEU 99 -6.101 4.305 31.803 774 HD23 LEU 99 HD23 LEU 99 -7.498 4.310 30.727 775 H GLU 100 HN GLU 100 -8.319 0.454 26.745 776 HA GLU 100 HA GLU 100 -10.672 0.817 28.232 777 HB2 GLU 100 HB2 GLU 100 -10.002 -1.256 26.130 778 HB3 GLU 100 HB1 GLU 100 -11.634 -0.991 26.747 779 HG2 GLU 100 HG2 GLU 100 -11.554 1.350 26.017 780 HG3 GLU 100 HG1 GLU 100 -9.896 1.134 25.455 781 H HIS 101 HN HIS 101 -11.913 -0.555 29.567 782 HA HIS 101 HA HIS 101 -10.362 -2.413 31.213 783 HB2 HIS 101 HB2 HIS 101 -13.246 -1.499 31.228 784 HB3 HIS 101 HB1 HIS 101 -12.614 -2.672 32.383 785 HD1 HIS 101 HD1 HIS 101 -12.192 0.936 31.308 786 HD2 HIS 101 HD2 HIS 101 -11.070 -1.565 34.448 787 HE1 HIS 101 HE1 HIS 101 -11.149 2.425 33.073 788 H HIS 102 HN HIS 102 -12.178 -2.645 28.356 789 HA HIS 102 HA HIS 102 -13.303 -5.283 28.746 790 HB2 HIS 102 HB2 HIS 102 -14.135 -3.678 27.042 791 HB3 HIS 102 HB1 HIS 102 -12.624 -3.873 26.154 792 HD1 HIS 102 HD1 HIS 102 -12.167 -6.235 25.082 793 HD2 HIS 102 HD2 HIS 102 -15.960 -5.807 26.758 794 HE1 HIS 102 HE1 HIS 102 -13.547 -8.185 24.240 795 H HIS 103 HN HIS 103 -12.311 -7.212 28.603 796 HA HIS 103 HA HIS 103 -9.453 -7.388 28.273 797 HB2 HIS 103 HB2 HIS 103 -9.798 -9.806 28.543 798 HB3 HIS 103 HB1 HIS 103 -10.727 -8.902 29.736 799 HD1 HIS 103 HD1 HIS 103 -13.345 -8.527 29.109 800 HD2 HIS 103 HD2 HIS 103 -11.344 -11.487 26.957 801 HE1 HIS 103 HE1 HIS 103 -15.132 -9.977 28.049 802 H HIS 104 HN HIS 104 -8.251 -7.981 26.533 803 HA HIS 104 HA HIS 104 -9.550 -7.960 23.910 804 HB2 HIS 104 HB2 HIS 104 -7.264 -8.020 23.029 805 HB3 HIS 104 HB1 HIS 104 -7.401 -6.799 24.293 806 HD1 HIS 104 HD1 HIS 104 -6.561 -7.618 26.756 807 HD2 HIS 104 HD2 HIS 104 -5.285 -9.907 23.514 808 HE1 HIS 104 HE1 HIS 104 -4.591 -8.987 27.574 809 H HIS 105 HN HIS 105 -9.577 -9.673 22.435 810 HA HIS 105 HA HIS 105 -8.840 -12.379 23.506 811 HB2 HIS 105 HB2 HIS 105 -11.312 -11.911 23.539 812 HB3 HIS 105 HB1 HIS 105 -11.244 -11.733 21.786 813 HD1 HIS 105 HD1 HIS 105 -10.337 -14.304 24.445 814 HD2 HIS 105 HD2 HIS 105 -11.446 -14.136 20.431 815 HE1 HIS 105 HE1 HIS 105 -10.587 -16.701 23.673 816 H HIS 106 HN HIS 106 -7.540 -13.495 22.172 817 HA HIS 106 HA HIS 106 -6.573 -12.376 19.701 818 HB2 HIS 106 HB2 HIS 106 -6.333 -15.166 20.862 819 HB3 HIS 106 HB1 HIS 106 -5.407 -14.576 19.480 820 HD1 HIS 106 HD1 HIS 106 -3.942 -12.320 20.020 821 HD2 HIS 106 HD2 HIS 106 -5.144 -14.592 23.303 822 HE1 HIS 106 HE1 HIS 106 -2.472 -11.613 21.955 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 -12.395 -1.187 -2.237 2 H2 SER 1 HT2 SER 1 -12.414 0.484 -1.928 3 H3 SER 1 HT3 SER 1 -12.510 -0.624 -0.642 4 HA SER 1 HA SER 1 -10.178 -0.115 -2.406 5 HB2 SER 1 HB2 SER 1 -9.114 0.623 -0.363 6 HB3 SER 1 HB1 SER 1 -10.655 1.462 -0.492 7 HG SER 1 HG SER 1 -11.493 0.181 1.055 8 H ASP 2 HN ASP 2 -10.791 -2.515 -2.926 9 HA ASP 2 HA ASP 2 -10.394 -4.555 -0.964 10 HB2 ASP 2 HB2 ASP 2 -11.510 -4.889 -3.169 11 HB3 ASP 2 HB1 ASP 2 -9.943 -4.715 -3.958 12 H LEU 3 HN LEU 3 -8.563 -5.763 -0.440 13 HA LEU 3 HA LEU 3 -6.014 -4.421 -0.627 14 HB2 LEU 3 HB2 LEU 3 -6.577 -5.768 1.323 15 HB3 LEU 3 HB1 LEU 3 -6.794 -7.196 0.315 16 HG LEU 3 HG LEU 3 -4.428 -7.208 -0.260 17 HD11 LEU 3 HD11 LEU 3 -2.973 -5.503 1.095 18 HD12 LEU 3 HD12 LEU 3 -4.458 -4.556 1.181 19 HD13 LEU 3 HD13 LEU 3 -3.756 -4.959 -0.386 20 HD21 LEU 3 HD21 LEU 3 -5.240 -8.220 1.903 21 HD22 LEU 3 HD22 LEU 3 -4.730 -6.743 2.719 22 HD23 LEU 3 HD23 LEU 3 -3.536 -7.765 1.918 23 H VAL 4 HN VAL 4 -4.457 -4.659 -2.175 24 HA VAL 4 HA VAL 4 -4.560 -7.058 -3.966 25 HB VAL 4 HB VAL 4 -4.129 -5.634 -5.910 26 HG11 VAL 4 HG11 VAL 4 -6.456 -6.153 -5.367 27 HG12 VAL 4 HG12 VAL 4 -6.352 -4.509 -5.998 28 HG13 VAL 4 HG13 VAL 4 -6.529 -4.780 -4.263 29 HG21 VAL 4 HG21 VAL 4 -4.449 -3.131 -5.584 30 HG22 VAL 4 HG22 VAL 4 -2.954 -3.786 -4.921 31 HG23 VAL 4 HG23 VAL 4 -4.305 -3.419 -3.849 32 H LYS 5 HN LYS 5 -2.498 -7.334 -5.161 33 HA LYS 5 HA LYS 5 -0.245 -6.981 -3.342 34 HB2 LYS 5 HB2 LYS 5 -0.516 -8.231 -6.082 35 HB3 LYS 5 HB1 LYS 5 0.981 -8.224 -5.151 36 HG2 LYS 5 HG2 LYS 5 -0.132 -9.414 -3.315 37 HG3 LYS 5 HG1 LYS 5 -1.652 -9.392 -4.208 38 HD2 LYS 5 HD2 LYS 5 -0.577 -10.691 -6.031 39 HD3 LYS 5 HD1 LYS 5 0.909 -10.761 -5.084 40 HE2 LYS 5 HE2 LYS 5 -1.782 -11.858 -4.211 41 HE3 LYS 5 HE1 LYS 5 -0.429 -12.822 -4.801 42 HZ1 LYS 5 HZ1 LYS 5 0.371 -12.849 -2.753 43 HZ2 LYS 5 HZ2 LYS 5 -0.893 -11.857 -2.201 44 HZ3 LYS 5 HZ3 LYS 5 0.542 -11.162 -2.789 45 H ILE 6 HN ILE 6 1.812 -6.018 -4.026 46 HA ILE 6 HA ILE 6 1.532 -3.385 -5.105 47 HB ILE 6 HB ILE 6 3.899 -5.168 -4.503 48 HG12 ILE 6 HG12 ILE 6 4.292 -3.592 -2.716 49 HG13 ILE 6 HG11 ILE 6 3.090 -2.476 -3.362 50 HG21 ILE 6 HG21 ILE 6 5.247 -2.977 -4.901 51 HG22 ILE 6 HG22 ILE 6 3.869 -2.490 -5.888 52 HG23 ILE 6 HG23 ILE 6 4.786 -3.934 -6.308 53 HD11 ILE 6 HD11 ILE 6 1.289 -3.950 -2.810 54 HD12 ILE 6 HD12 ILE 6 2.331 -3.902 -1.391 55 HD13 ILE 6 HD13 ILE 6 2.394 -5.285 -2.481 56 H ARG 7 HN ARG 7 2.830 -6.396 -6.508 57 HA ARG 7 HA ARG 7 3.545 -5.268 -9.027 58 HB2 ARG 7 HB2 ARG 7 2.871 -8.081 -8.141 59 HB3 ARG 7 HB1 ARG 7 3.308 -7.711 -9.811 60 HG2 ARG 7 HG2 ARG 7 5.437 -6.735 -9.048 61 HG3 ARG 7 HG1 ARG 7 5.002 -7.077 -7.373 62 HD2 ARG 7 HD2 ARG 7 4.901 -9.486 -7.882 63 HD3 ARG 7 HD1 ARG 7 5.329 -9.156 -9.558 64 HE ARG 7 HE ARG 7 7.153 -9.003 -7.237 65 HH11 ARG 7 HH21 ARG 7 6.525 -8.385 -10.583 66 HH12 ARG 7 HH22 ARG 7 8.199 -8.263 -11.003 67 HH21 ARG 7 HH11 ARG 7 9.337 -8.836 -7.781 68 HH22 ARG 7 HH12 ARG 7 9.785 -8.513 -9.423 69 H ASP 8 HN ASP 8 0.475 -6.090 -7.678 70 HA ASP 8 HA ASP 8 -0.868 -6.261 -10.299 71 HB2 ASP 8 HB2 ASP 8 -1.550 -7.590 -8.234 72 HB3 ASP 8 HB1 ASP 8 -2.139 -6.073 -7.555 73 H VAL 9 HN VAL 9 0.302 -3.774 -8.405 74 HA VAL 9 HA VAL 9 -1.893 -1.909 -8.520 75 HB VAL 9 HB VAL 9 1.096 -1.492 -8.225 76 HG11 VAL 9 HG11 VAL 9 -1.229 0.439 -8.107 77 HG12 VAL 9 HG12 VAL 9 0.252 0.579 -9.053 78 HG13 VAL 9 HG13 VAL 9 0.304 0.772 -7.300 79 HG21 VAL 9 HG21 VAL 9 -0.260 -2.744 -6.444 80 HG22 VAL 9 HG22 VAL 9 -1.105 -1.221 -6.167 81 HG23 VAL 9 HG23 VAL 9 0.632 -1.327 -5.886 82 H SER 10 HN SER 10 -2.540 -0.606 -10.170 83 HA SER 10 HA SER 10 -0.723 0.101 -12.356 84 HB2 SER 10 HB2 SER 10 -3.167 -1.601 -12.907 85 HB3 SER 10 HB1 SER 10 -2.124 -0.879 -14.127 86 HG SER 10 HG SER 10 -1.772 -3.120 -12.597 87 H LEU 11 HN LEU 11 -2.036 1.418 -14.044 88 HA LEU 11 HA LEU 11 -3.385 3.548 -12.703 89 HB2 LEU 11 HB2 LEU 11 -3.259 2.754 -15.624 90 HB3 LEU 11 HB1 LEU 11 -3.988 4.258 -15.060 91 HG LEU 11 HG LEU 11 -1.132 3.433 -14.452 92 HD11 LEU 11 HD11 LEU 11 -2.301 5.117 -16.670 93 HD12 LEU 11 HD12 LEU 11 -1.215 3.735 -16.808 94 HD13 LEU 11 HD13 LEU 11 -0.617 5.265 -16.167 95 HD21 LEU 11 HD21 LEU 11 -1.643 5.047 -12.848 96 HD22 LEU 11 HD22 LEU 11 -2.822 5.861 -13.876 97 HD23 LEU 11 HD23 LEU 11 -1.096 6.082 -14.163 98 H SER 12 HN SER 12 -4.582 0.738 -14.513 99 HA SER 12 HA SER 12 -7.306 1.432 -14.670 100 HB2 SER 12 HB2 SER 12 -6.323 -0.574 -15.740 101 HB3 SER 12 HB1 SER 12 -6.129 -1.316 -14.155 102 HG SER 12 HG SER 12 -8.327 -1.123 -15.731 103 H THR 13 HN THR 13 -5.404 0.745 -11.895 104 HA THR 13 HA THR 13 -7.866 0.405 -10.217 105 HB THR 13 HB THR 13 -6.602 -0.873 -8.716 106 HG1 THR 13 HG1 THR 13 -4.797 0.441 -8.535 107 HG21 THR 13 HG21 THR 13 -5.346 -1.537 -11.380 108 HG22 THR 13 HG22 THR 13 -7.012 -1.940 -10.965 109 HG23 THR 13 HG23 THR 13 -5.681 -2.640 -10.045 110 HA PRO 14 HA PRO 14 -6.032 4.592 -9.326 111 HB2 PRO 14 HB2 PRO 14 -8.404 5.951 -9.154 112 HB3 PRO 14 HB1 PRO 14 -7.564 5.657 -10.690 113 HG2 PRO 14 HG2 PRO 14 -9.890 4.217 -9.501 114 HG3 PRO 14 HG1 PRO 14 -9.594 4.680 -11.186 115 HD2 PRO 14 HD2 PRO 14 -9.189 2.146 -10.238 116 HD3 PRO 14 HD1 PRO 14 -8.271 2.815 -11.605 117 H TYR 15 HN TYR 15 -8.401 2.620 -7.730 118 HA TYR 15 HA TYR 15 -7.673 3.888 -5.114 119 HB2 TYR 15 HB2 TYR 15 -10.409 2.988 -6.057 120 HB3 TYR 15 HB1 TYR 15 -10.024 3.379 -4.379 121 HD1 TYR 15 HD2 TYR 15 -8.860 5.690 -3.971 122 HD2 TYR 15 HD1 TYR 15 -11.113 4.713 -7.496 123 HE1 TYR 15 HE2 TYR 15 -9.160 8.106 -4.447 124 HE2 TYR 15 HE1 TYR 15 -11.413 7.129 -7.973 125 HH TYR 15 HH TYR 15 -9.743 9.591 -6.102 126 H VAL 16 HN VAL 16 -6.443 2.337 -4.147 127 HA VAL 16 HA VAL 16 -7.624 -0.400 -3.919 128 HB VAL 16 HB VAL 16 -5.376 -1.397 -4.337 129 HG11 VAL 16 HG11 VAL 16 -6.287 0.259 -6.692 130 HG12 VAL 16 HG12 VAL 16 -7.207 -1.123 -6.097 131 HG13 VAL 16 HG13 VAL 16 -5.568 -1.351 -6.709 132 HG21 VAL 16 HG21 VAL 16 -3.766 0.085 -5.624 133 HG22 VAL 16 HG22 VAL 16 -3.924 0.476 -3.912 134 HG23 VAL 16 HG23 VAL 16 -4.745 1.462 -5.121 135 H SER 17 HN SER 17 -6.547 -1.675 -2.212 136 HA SER 17 HA SER 17 -5.540 0.082 0.006 137 HB2 SER 17 HB2 SER 17 -7.660 -0.916 0.598 138 HB3 SER 17 HB1 SER 17 -7.131 -2.500 0.045 139 HG SER 17 HG SER 17 -5.451 -2.305 1.680 140 H VAL 18 HN VAL 18 -3.628 -0.559 1.039 141 HA VAL 18 HA VAL 18 -2.354 -3.119 0.133 142 HB VAL 18 HB VAL 18 -0.800 -0.545 0.441 143 HG11 VAL 18 HG11 VAL 18 -0.277 -3.193 -0.945 144 HG12 VAL 18 HG12 VAL 18 0.494 -2.613 0.531 145 HG13 VAL 18 HG13 VAL 18 0.805 -1.801 -1.003 146 HG21 VAL 18 HG21 VAL 18 -0.854 -0.575 -2.131 147 HG22 VAL 18 HG22 VAL 18 -2.318 -0.024 -1.316 148 HG23 VAL 18 HG23 VAL 18 -2.239 -1.657 -1.976 149 H ILE 19 HN ILE 19 -0.757 -3.939 1.638 150 HA ILE 19 HA ILE 19 -0.704 -2.654 4.325 151 HB ILE 19 HB ILE 19 -2.515 -4.375 4.313 152 HG12 ILE 19 HG12 ILE 19 -0.124 -5.290 5.929 153 HG13 ILE 19 HG11 ILE 19 -1.039 -3.836 6.327 154 HG21 ILE 19 HG21 ILE 19 -2.049 -6.660 3.884 155 HG22 ILE 19 HG22 ILE 19 -0.305 -6.409 3.972 156 HG23 ILE 19 HG23 ILE 19 -1.215 -5.802 2.590 157 HD11 ILE 19 HD11 ILE 19 -3.072 -5.124 6.618 158 HD12 ILE 19 HD12 ILE 19 -1.802 -5.882 7.578 159 HD13 ILE 19 HD13 ILE 19 -2.279 -6.586 6.033 160 H GLY 20 HN GLY 20 1.331 -2.713 5.213 161 HA2 GLY 20 HA2 GLY 20 3.151 -4.857 4.984 162 HA3 GLY 20 HA1 GLY 20 3.497 -3.771 3.643 163 H LYS 21 HN LYS 21 5.594 -3.468 4.699 164 HA LYS 21 HA LYS 21 5.469 -1.628 7.075 165 HB2 LYS 21 HB2 LYS 21 7.740 -2.320 7.564 166 HB3 LYS 21 HB1 LYS 21 6.736 -3.759 7.388 167 HG2 LYS 21 HG2 LYS 21 7.487 -3.872 4.973 168 HG3 LYS 21 HG1 LYS 21 8.645 -2.596 5.343 169 HD2 LYS 21 HD2 LYS 21 8.502 -5.226 6.841 170 HD3 LYS 21 HD1 LYS 21 9.602 -4.920 5.498 171 HE2 LYS 21 HE2 LYS 21 10.418 -2.884 6.837 172 HE3 LYS 21 HE1 LYS 21 9.555 -3.582 8.209 173 HZ1 LYS 21 HZ1 LYS 21 11.354 -4.803 8.550 174 HZ2 LYS 21 HZ2 LYS 21 12.045 -4.356 7.063 175 HZ3 LYS 21 HZ3 LYS 21 10.967 -5.666 7.142 176 H ILE 22 HN ILE 22 6.295 0.401 6.876 177 HA ILE 22 HA ILE 22 7.333 1.199 4.191 178 HB ILE 22 HB ILE 22 6.204 2.876 6.446 179 HG12 ILE 22 HG12 ILE 22 5.032 2.212 3.729 180 HG13 ILE 22 HG11 ILE 22 4.593 1.368 5.214 181 HG21 ILE 22 HG21 ILE 22 7.809 4.158 5.165 182 HG22 ILE 22 HG22 ILE 22 6.194 4.652 4.660 183 HG23 ILE 22 HG23 ILE 22 7.142 3.562 3.647 184 HD11 ILE 22 HD11 ILE 22 2.959 3.113 4.839 185 HD12 ILE 22 HD12 ILE 22 4.229 4.315 4.621 186 HD13 ILE 22 HD13 ILE 22 3.964 3.592 6.207 187 H THR 23 HN THR 23 9.424 1.821 3.979 188 HA THR 23 HA THR 23 10.955 2.583 6.440 189 HB THR 23 HB THR 23 12.852 1.240 5.670 190 HG1 THR 23 HG1 THR 23 12.709 1.073 3.541 191 HG21 THR 23 HG21 THR 23 10.409 -0.533 5.599 192 HG22 THR 23 HG22 THR 23 10.951 0.254 7.081 193 HG23 THR 23 HG23 THR 23 12.002 -0.898 6.258 194 H GLY 24 HN GLY 24 12.902 3.837 5.948 195 HA2 GLY 24 HA2 GLY 24 14.105 5.469 4.765 196 HA3 GLY 24 HA1 GLY 24 13.435 4.792 3.279 197 H ILE 25 HN ILE 25 12.625 6.943 6.007 198 HA ILE 25 HA ILE 25 10.400 8.104 4.407 199 HB ILE 25 HB ILE 25 11.322 8.760 7.220 200 HG12 ILE 25 HG12 ILE 25 10.597 6.444 7.139 201 HG13 ILE 25 HG11 ILE 25 9.328 7.399 7.901 202 HG21 ILE 25 HG21 ILE 25 8.933 9.647 7.345 203 HG22 ILE 25 HG22 ILE 25 8.891 9.506 5.588 204 HG23 ILE 25 HG23 ILE 25 10.055 10.584 6.359 205 HD11 ILE 25 HD11 ILE 25 9.369 6.133 5.177 206 HD12 ILE 25 HD12 ILE 25 8.376 7.565 5.442 207 HD13 ILE 25 HD13 ILE 25 8.099 6.111 6.399 208 H HIS 26 HN HIS 26 10.762 9.846 3.188 209 HA HIS 26 HA HIS 26 13.119 11.605 3.803 210 HB2 HIS 26 HB2 HIS 26 11.771 10.997 1.154 211 HB3 HIS 26 HB1 HIS 26 13.110 12.124 1.379 212 HD1 HIS 26 HD1 HIS 26 15.314 10.969 2.570 213 HD2 HIS 26 HD2 HIS 26 12.610 8.399 0.712 214 HE1 HIS 26 HE1 HIS 26 16.538 8.781 2.208 215 H LYS 27 HN LYS 27 12.710 13.775 4.032 216 HA LYS 27 HA LYS 27 9.848 14.625 3.935 217 HB2 LYS 27 HB2 LYS 27 11.099 14.928 6.062 218 HB3 LYS 27 HB1 LYS 27 12.250 15.965 5.217 219 HG2 LYS 27 HG2 LYS 27 10.468 17.541 4.655 220 HG3 LYS 27 HG1 LYS 27 9.269 16.486 5.406 221 HD2 LYS 27 HD2 LYS 27 10.416 16.736 7.578 222 HD3 LYS 27 HD1 LYS 27 11.601 17.805 6.826 223 HE2 LYS 27 HE2 LYS 27 9.809 19.380 6.222 224 HE3 LYS 27 HE1 LYS 27 8.614 18.310 6.953 225 HZ1 LYS 27 HZ1 LYS 27 9.650 18.595 9.079 226 HZ2 LYS 27 HZ2 LYS 27 9.320 20.128 8.428 227 HZ3 LYS 27 HZ3 LYS 27 10.906 19.516 8.405 228 H LYS 28 HN LYS 28 9.189 16.022 2.391 229 HA LYS 28 HA LYS 28 11.157 17.817 1.068 230 HB2 LYS 28 HB2 LYS 28 9.377 15.832 -0.379 231 HB3 LYS 28 HB1 LYS 28 10.186 17.183 -1.173 232 HG2 LYS 28 HG2 LYS 28 12.373 16.319 -0.393 233 HG3 LYS 28 HG1 LYS 28 11.553 14.950 0.359 234 HD2 LYS 28 HD2 LYS 28 10.680 14.257 -1.840 235 HD3 LYS 28 HD1 LYS 28 11.493 15.628 -2.596 236 HE2 LYS 28 HE2 LYS 28 13.672 14.765 -1.847 237 HE3 LYS 28 HE1 LYS 28 12.870 13.398 -1.072 238 HZ1 LYS 28 HZ1 LYS 28 11.870 13.307 -3.563 239 HZ2 LYS 28 HZ2 LYS 28 13.202 12.399 -3.026 240 HZ3 LYS 28 HZ3 LYS 28 13.445 13.859 -3.861 241 H GLU 29 HN GLU 29 10.013 19.545 -0.161 242 HA GLU 29 HA GLU 29 7.217 19.995 0.852 243 HB2 GLU 29 HB2 GLU 29 9.502 21.951 0.519 244 HB3 GLU 29 HB1 GLU 29 7.829 22.445 0.783 245 HG2 GLU 29 HG2 GLU 29 7.764 21.190 2.888 246 HG3 GLU 29 HG1 GLU 29 9.414 20.626 2.620 247 H TYR 30 HN TYR 30 5.726 20.595 -0.652 248 HA TYR 30 HA TYR 30 6.676 21.272 -3.415 249 HB2 TYR 30 HB2 TYR 30 4.938 19.879 -4.363 250 HB3 TYR 30 HB1 TYR 30 5.884 18.891 -3.254 251 HD1 TYR 30 HD2 TYR 30 5.007 18.857 -0.746 252 HD2 TYR 30 HD1 TYR 30 2.602 19.866 -4.159 253 HE1 TYR 30 HE2 TYR 30 2.959 18.327 0.541 254 HE2 TYR 30 HE1 TYR 30 0.554 19.330 -2.871 255 HH TYR 30 HH TYR 30 -0.039 17.880 -0.882 256 H GLU 31 HN GLU 31 5.199 22.640 -4.584 257 HA GLU 31 HA GLU 31 3.667 24.413 -2.791 258 HB2 GLU 31 HB2 GLU 31 4.350 24.556 -5.744 259 HB3 GLU 31 HB1 GLU 31 3.417 25.783 -4.889 260 HG2 GLU 31 HG2 GLU 31 5.604 26.638 -4.785 261 HG3 GLU 31 HG1 GLU 31 5.439 25.831 -3.228 262 H SER 32 HN SER 32 1.462 24.535 -2.738 263 HA SER 32 HA SER 32 -0.118 23.043 -4.791 264 HB2 SER 32 HB2 SER 32 0.188 21.633 -2.734 265 HB3 SER 32 HB1 SER 32 -0.609 22.893 -1.800 266 HG SER 32 HG SER 32 -2.389 22.639 -3.314 267 H ASP 33 HN ASP 33 -1.260 24.674 -5.712 268 HA ASP 33 HA ASP 33 -2.684 26.514 -5.926 269 HB2 ASP 33 HB2 ASP 33 -4.076 25.009 -4.432 270 HB3 ASP 33 HB1 ASP 33 -3.471 25.939 -3.062 271 H GLY 34 HN GLY 34 0.063 26.930 -4.928 272 HA2 GLY 34 HA2 GLY 34 1.231 28.924 -4.406 273 HA3 GLY 34 HA1 GLY 34 -0.311 29.689 -4.015 274 H THR 35 HN THR 35 0.032 26.683 -2.490 275 HA THR 35 HA THR 35 0.950 27.996 0.054 276 HB THR 35 HB THR 35 -1.096 25.789 -0.327 277 HG1 THR 35 HG1 THR 35 -1.352 28.453 0.605 278 HG21 THR 35 HG21 THR 35 0.125 27.084 2.111 279 HG22 THR 35 HG22 THR 35 0.008 25.365 1.731 280 HG23 THR 35 HG23 THR 35 -1.440 26.272 2.170 281 H THR 36 HN THR 36 2.686 27.055 0.981 282 HA THR 36 HA THR 36 3.918 24.727 -0.290 283 HB THR 36 HB THR 36 4.732 26.261 2.198 284 HG1 THR 36 HG1 THR 36 5.342 27.712 0.839 285 HG21 THR 36 HG21 THR 36 6.992 25.314 1.608 286 HG22 THR 36 HG22 THR 36 6.186 24.290 0.421 287 HG23 THR 36 HG23 THR 36 5.818 24.108 2.135 288 H LYS 37 HN LYS 37 3.726 22.633 0.400 289 HA LYS 37 HA LYS 37 2.681 22.126 3.166 290 HB2 LYS 37 HB2 LYS 37 1.756 20.852 0.578 291 HB3 LYS 37 HB1 LYS 37 1.332 20.252 2.183 292 HG2 LYS 37 HG2 LYS 37 0.315 22.430 2.733 293 HG3 LYS 37 HG1 LYS 37 0.734 23.032 1.128 294 HD2 LYS 37 HD2 LYS 37 -0.659 21.280 0.099 295 HD3 LYS 37 HD1 LYS 37 -1.078 20.670 1.700 296 HE2 LYS 37 HE2 LYS 37 -2.111 22.831 2.266 297 HE3 LYS 37 HE1 LYS 37 -1.679 23.460 0.676 298 HZ1 LYS 37 HZ1 LYS 37 -3.487 21.173 1.236 299 HZ2 LYS 37 HZ2 LYS 37 -3.009 21.674 -0.316 300 HZ3 LYS 37 HZ3 LYS 37 -3.945 22.701 0.662 301 H SER 38 HN SER 38 3.634 20.404 4.200 302 HA SER 38 HA SER 38 6.088 19.344 3.023 303 HB2 SER 38 HB2 SER 38 5.969 19.907 5.420 304 HB3 SER 38 HB1 SER 38 4.693 18.714 5.645 305 HG SER 38 HG SER 38 6.716 17.545 4.388 306 H VAL 39 HN VAL 39 6.428 17.224 2.326 307 HA VAL 39 HA VAL 39 4.102 15.336 2.418 308 HB VAL 39 HB VAL 39 4.056 16.274 0.189 309 HG11 VAL 39 HG11 VAL 39 6.044 16.279 -1.256 310 HG12 VAL 39 HG12 VAL 39 7.006 15.580 0.046 311 HG13 VAL 39 HG13 VAL 39 6.348 17.207 0.211 312 HG21 VAL 39 HG21 VAL 39 5.579 13.671 -0.047 313 HG22 VAL 39 HG22 VAL 39 4.317 14.285 -1.114 314 HG23 VAL 39 HG23 VAL 39 3.909 13.739 0.513 315 H TYR 40 HN TYR 40 4.693 13.269 2.916 316 HA TYR 40 HA TYR 40 7.599 12.749 3.380 317 HB2 TYR 40 HB2 TYR 40 5.088 11.413 4.436 318 HB3 TYR 40 HB1 TYR 40 6.724 10.844 4.772 319 HD1 TYR 40 HD1 TYR 40 4.288 13.557 5.334 320 HD2 TYR 40 HD2 TYR 40 8.237 12.104 6.197 321 HE1 TYR 40 HE1 TYR 40 4.507 15.231 7.153 322 HE2 TYR 40 HE2 TYR 40 8.455 13.776 8.014 323 HH TYR 40 HH TYR 40 6.107 16.316 8.465 324 H GLN 41 HN GLN 41 8.628 11.075 2.311 325 HA GLN 41 HA GLN 41 6.986 9.304 0.548 326 HB2 GLN 41 HB2 GLN 41 9.416 10.916 -0.238 327 HB3 GLN 41 HB1 GLN 41 8.777 9.585 -1.202 328 HG2 GLN 41 HG2 GLN 41 6.602 10.735 -1.355 329 HG3 GLN 41 HG1 GLN 41 7.240 12.067 -0.389 330 HE21 GLN 41 HE21 GLN 41 7.463 13.767 -1.873 331 HE22 GLN 41 HE22 GLN 41 8.292 13.647 -3.348 332 H GLY 42 HN GLY 42 7.990 7.287 0.045 333 HA2 GLY 42 HA2 GLY 42 10.604 6.573 0.997 334 HA3 GLY 42 HA1 GLY 42 9.395 6.086 2.186 335 H TYR 43 HN TYR 43 9.754 3.853 1.792 336 HA TYR 43 HA TYR 43 8.533 2.858 -0.753 337 HB2 TYR 43 HB2 TYR 43 11.098 1.910 0.550 338 HB3 TYR 43 HB1 TYR 43 10.242 1.004 -0.700 339 HD1 TYR 43 HD1 TYR 43 12.149 4.082 0.038 340 HD2 TYR 43 HD2 TYR 43 10.157 1.777 -2.990 341 HE1 TYR 43 HE1 TYR 43 13.198 5.483 -1.719 342 HE2 TYR 43 HE2 TYR 43 11.205 3.173 -4.746 343 HH TYR 43 HH TYR 43 12.721 6.119 -4.087 344 H ILE 44 HN ILE 44 7.249 1.038 -0.499 345 HA ILE 44 HA ILE 44 6.951 -0.014 2.295 346 HB ILE 44 HB ILE 44 5.022 1.399 1.524 347 HG12 ILE 44 HG12 ILE 44 4.268 -1.524 1.744 348 HG13 ILE 44 HG11 ILE 44 4.850 -0.591 3.122 349 HG21 ILE 44 HG21 ILE 44 4.554 -0.850 -0.451 350 HG22 ILE 44 HG22 ILE 44 5.266 0.702 -0.896 351 HG23 ILE 44 HG23 ILE 44 3.617 0.632 -0.273 352 HD11 ILE 44 HD11 ILE 44 3.014 1.078 2.671 353 HD12 ILE 44 HD12 ILE 44 2.435 -0.516 3.155 354 HD13 ILE 44 HD13 ILE 44 2.379 -0.036 1.458 355 H GLU 45 HN GLU 45 7.076 -2.196 2.497 356 HA GLU 45 HA GLU 45 7.302 -3.805 -0.034 357 HB2 GLU 45 HB2 GLU 45 8.554 -4.539 2.615 358 HB3 GLU 45 HB1 GLU 45 8.981 -5.104 1.000 359 HG2 GLU 45 HG2 GLU 45 9.729 -2.795 0.423 360 HG3 GLU 45 HG1 GLU 45 9.381 -2.295 2.077 361 H ASP 46 HN ASP 46 6.317 -5.846 -0.063 362 HA ASP 46 HA ASP 46 4.586 -6.591 2.261 363 HB2 ASP 46 HB2 ASP 46 3.765 -6.351 -0.644 364 HB3 ASP 46 HB1 ASP 46 2.813 -7.210 0.565 365 H ASP 47 HN ASP 47 3.413 -8.818 1.106 366 HA ASP 47 HA ASP 47 5.571 -10.745 1.197 367 HB2 ASP 47 HB2 ASP 47 2.625 -10.969 0.512 368 HB3 ASP 47 HB1 ASP 47 3.706 -12.360 0.611 369 H THR 48 HN THR 48 4.053 -8.920 -1.316 370 HA THR 48 HA THR 48 4.942 -10.782 -3.450 371 HB THR 48 HB THR 48 3.539 -8.105 -3.657 372 HG1 THR 48 HG1 THR 48 2.158 -9.500 -2.693 373 HG21 THR 48 HG21 THR 48 3.004 -8.958 -5.953 374 HG22 THR 48 HG22 THR 48 4.074 -10.325 -5.650 375 HG23 THR 48 HG23 THR 48 4.725 -8.687 -5.698 376 H ALA 49 HN ALA 49 5.133 -7.226 -3.348 377 HA ALA 49 HA ALA 49 8.087 -7.368 -3.680 378 HB1 ALA 49 HB1 ALA 49 8.066 -6.055 -5.703 379 HB2 ALA 49 HB2 ALA 49 6.314 -5.857 -5.619 380 HB3 ALA 49 HB3 ALA 49 7.008 -7.443 -5.960 381 H ARG 50 HN ARG 50 8.054 -4.540 -4.609 382 HA ARG 50 HA ARG 50 6.912 -3.122 -2.258 383 HB2 ARG 50 HB2 ARG 50 9.079 -2.038 -1.791 384 HB3 ARG 50 HB1 ARG 50 9.188 -3.787 -1.599 385 HG2 ARG 50 HG2 ARG 50 10.141 -3.973 -3.875 386 HG3 ARG 50 HG1 ARG 50 10.066 -2.219 -4.047 387 HD2 ARG 50 HD2 ARG 50 11.559 -1.975 -2.083 388 HD3 ARG 50 HD1 ARG 50 11.668 -3.732 -1.960 389 HE ARG 50 HE ARG 50 12.420 -2.736 -4.594 390 HH11 ARG 50 HH21 ARG 50 13.403 -3.382 -1.348 391 HH12 ARG 50 HH22 ARG 50 15.083 -3.523 -1.746 392 HH21 ARG 50 HH11 ARG 50 14.611 -2.916 -5.127 393 HH22 ARG 50 HH12 ARG 50 15.766 -3.258 -3.882 394 H ILE 51 HN ILE 51 6.835 -0.782 -2.573 395 HA ILE 51 HA ILE 51 7.529 0.252 -5.252 396 HB ILE 51 HB ILE 51 5.298 -0.705 -5.606 397 HG12 ILE 51 HG12 ILE 51 5.083 2.306 -5.387 398 HG13 ILE 51 HG11 ILE 51 6.030 1.501 -6.639 399 HG21 ILE 51 HG21 ILE 51 3.372 0.097 -4.344 400 HG22 ILE 51 HG22 ILE 51 4.398 1.193 -3.419 401 HG23 ILE 51 HG23 ILE 51 4.565 -0.552 -3.217 402 HD11 ILE 51 HD11 ILE 51 3.133 0.786 -6.176 403 HD12 ILE 51 HD12 ILE 51 4.120 0.511 -7.614 404 HD13 ILE 51 HD13 ILE 51 3.587 2.143 -7.209 405 H ARG 52 HN ARG 52 7.352 2.589 -5.361 406 HA ARG 52 HA ARG 52 7.982 3.843 -2.802 407 HB2 ARG 52 HB2 ARG 52 9.146 4.462 -4.909 408 HB3 ARG 52 HB1 ARG 52 7.627 5.095 -5.542 409 HG2 ARG 52 HG2 ARG 52 7.517 6.705 -3.673 410 HG3 ARG 52 HG1 ARG 52 9.037 6.069 -3.039 411 HD2 ARG 52 HD2 ARG 52 10.141 6.683 -5.194 412 HD3 ARG 52 HD1 ARG 52 8.627 7.413 -5.723 413 HE ARG 52 HE ARG 52 8.979 9.201 -4.184 414 HH11 ARG 52 HH21 ARG 52 11.271 6.635 -3.835 415 HH12 ARG 52 HH22 ARG 52 12.337 7.556 -2.831 416 HH21 ARG 52 HH11 ARG 52 10.358 10.402 -2.868 417 HH22 ARG 52 HH12 ARG 52 11.821 9.684 -2.282 418 H ILE 53 HN ILE 53 6.699 5.275 -1.664 419 HA ILE 53 HA ILE 53 3.964 5.868 -2.724 420 HB ILE 53 HB ILE 53 2.941 5.301 -0.643 421 HG12 ILE 53 HG12 ILE 53 4.589 6.108 0.954 422 HG13 ILE 53 HG11 ILE 53 4.293 4.404 1.278 423 HG21 ILE 53 HG21 ILE 53 3.320 2.939 -0.548 424 HG22 ILE 53 HG22 ILE 53 4.969 3.115 -1.148 425 HG23 ILE 53 HG23 ILE 53 3.604 3.430 -2.218 426 HD11 ILE 53 HD11 ILE 53 6.346 3.983 -0.278 427 HD12 ILE 53 HD12 ILE 53 6.630 4.555 1.366 428 HD13 ILE 53 HD13 ILE 53 6.707 5.686 0.020 429 H SER 54 HN SER 54 2.926 7.678 -1.508 430 HA SER 54 HA SER 54 4.832 9.504 -0.140 431 HB2 SER 54 HB2 SER 54 4.271 11.371 -1.543 432 HB3 SER 54 HB1 SER 54 4.744 10.054 -2.614 433 HG SER 54 HG SER 54 2.783 10.001 -3.372 434 H SER 55 HN SER 55 3.765 11.016 1.243 435 HA SER 55 HA SER 55 0.812 10.670 1.537 436 HB2 SER 55 HB2 SER 55 1.975 9.192 3.174 437 HB3 SER 55 HB1 SER 55 2.800 10.607 3.826 438 HG SER 55 HG SER 55 0.883 11.395 4.533 439 H PHE 56 HN PHE 56 -0.227 12.578 1.851 440 HA PHE 56 HA PHE 56 1.463 15.019 2.006 441 HB2 PHE 56 HB2 PHE 56 -1.471 14.578 1.402 442 HB3 PHE 56 HB1 PHE 56 -0.719 16.173 1.495 443 HD1 PHE 56 HD2 PHE 56 1.527 16.430 0.109 444 HD2 PHE 56 HD1 PHE 56 -1.509 13.496 -0.683 445 HE1 PHE 56 HE2 PHE 56 2.363 16.191 -2.213 446 HE2 PHE 56 HE1 PHE 56 -0.671 13.259 -3.004 447 HZ PHE 56 HZ PHE 56 1.264 14.605 -3.769 448 H GLY 57 HN GLY 57 1.757 16.059 3.899 449 HA2 GLY 57 HA2 GLY 57 1.270 16.978 6.006 450 HA3 GLY 57 HA1 GLY 57 -0.403 16.480 5.780 451 H LYS 58 HN LYS 58 -0.446 13.834 5.744 452 HA LYS 58 HA LYS 58 0.031 13.069 8.442 453 HB2 LYS 58 HB2 LYS 58 -0.410 11.402 5.955 454 HB3 LYS 58 HB1 LYS 58 -0.419 10.745 7.592 455 HG2 LYS 58 HG2 LYS 58 -2.246 12.279 8.204 456 HG3 LYS 58 HG1 LYS 58 -2.235 12.948 6.572 457 HD2 LYS 58 HD2 LYS 58 -2.820 10.754 5.644 458 HD3 LYS 58 HD1 LYS 58 -2.782 10.047 7.259 459 HE2 LYS 58 HE2 LYS 58 -5.096 10.556 6.629 460 HE3 LYS 58 HE1 LYS 58 -4.593 11.595 7.962 461 HZ1 LYS 58 HZ1 LYS 58 -4.118 12.589 5.263 462 HZ2 LYS 58 HZ2 LYS 58 -4.594 13.426 6.663 463 HZ3 LYS 58 HZ3 LYS 58 -5.733 12.531 5.777 464 H GLN 59 HN GLN 59 1.828 12.311 9.450 465 HA GLN 59 HA GLN 59 4.326 12.072 7.920 466 HB2 GLN 59 HB2 GLN 59 4.299 13.186 10.137 467 HB3 GLN 59 HB1 GLN 59 3.800 11.667 10.882 468 HG2 GLN 59 HG2 GLN 59 5.853 10.587 10.248 469 HG3 GLN 59 HG1 GLN 59 6.325 11.952 9.238 470 HE21 GLN 59 HE21 GLN 59 8.042 11.069 11.313 471 HE22 GLN 59 HE22 GLN 59 8.081 12.245 12.535 472 H LEU 60 HN LEU 60 5.698 10.165 8.081 473 HA LEU 60 HA LEU 60 4.168 7.604 8.454 474 HB2 LEU 60 HB2 LEU 60 6.409 8.198 6.501 475 HB3 LEU 60 HB1 LEU 60 5.551 6.666 6.658 476 HG LEU 60 HG LEU 60 4.297 9.317 5.880 477 HD11 LEU 60 HD11 LEU 60 5.034 6.851 4.279 478 HD12 LEU 60 HD12 LEU 60 5.686 8.479 4.086 479 HD13 LEU 60 HD13 LEU 60 4.005 8.147 3.671 480 HD21 LEU 60 HD21 LEU 60 2.553 8.117 6.900 481 HD22 LEU 60 HD22 LEU 60 3.193 6.554 6.393 482 HD23 LEU 60 HD23 LEU 60 2.404 7.610 5.219 483 H GLN 61 HN GLN 61 5.400 5.848 9.314 484 HA GLN 61 HA GLN 61 7.884 6.692 10.780 485 HB2 GLN 61 HB2 GLN 61 5.626 4.832 11.524 486 HB3 GLN 61 HB1 GLN 61 7.175 4.812 12.372 487 HG2 GLN 61 HG2 GLN 61 6.915 7.208 12.892 488 HG3 GLN 61 HG1 GLN 61 5.375 7.229 12.035 489 HE21 GLN 61 HE21 GLN 61 3.804 7.380 13.653 490 HE22 GLN 61 HE22 GLN 61 3.733 6.381 15.024 491 H ASP 62 HN ASP 62 9.694 5.570 10.337 492 HA ASP 62 HA ASP 62 9.747 3.666 8.203 493 HB2 ASP 62 HB2 ASP 62 12.128 3.422 8.747 494 HB3 ASP 62 HB1 ASP 62 11.656 5.121 8.768 495 H SER 63 HN SER 63 9.961 1.459 8.199 496 HA SER 63 HA SER 63 9.812 -0.741 8.952 497 HB2 SER 63 HB2 SER 63 10.482 0.189 11.739 498 HB3 SER 63 HB1 SER 63 10.904 -1.324 10.943 499 HG SER 63 HG SER 63 11.863 1.270 10.272 500 H ASP 64 HN ASP 64 7.681 1.630 9.805 501 HA ASP 64 HA ASP 64 6.210 0.107 11.840 502 HB2 ASP 64 HB2 ASP 64 4.631 1.900 11.828 503 HB3 ASP 64 HB1 ASP 64 6.226 2.628 11.681 504 H VAL 65 HN VAL 65 4.507 -1.250 11.504 505 HA VAL 65 HA VAL 65 3.864 -1.961 8.690 506 HB VAL 65 HB VAL 65 2.972 -3.354 11.223 507 HG11 VAL 65 HG11 VAL 65 2.573 -5.229 9.768 508 HG12 VAL 65 HG12 VAL 65 3.368 -4.421 8.416 509 HG13 VAL 65 HG13 VAL 65 1.819 -3.825 9.011 510 HG21 VAL 65 HG21 VAL 65 5.471 -3.732 9.548 511 HG22 VAL 65 HG22 VAL 65 4.904 -4.899 10.744 512 HG23 VAL 65 HG23 VAL 65 5.397 -3.283 11.252 513 H VAL 66 HN VAL 66 2.190 -0.852 7.835 514 HA VAL 66 HA VAL 66 -0.278 -0.526 9.490 515 HB VAL 66 HB VAL 66 -0.529 1.783 8.877 516 HG11 VAL 66 HG11 VAL 66 1.272 2.757 10.091 517 HG12 VAL 66 HG12 VAL 66 2.400 1.500 9.581 518 HG13 VAL 66 HG13 VAL 66 1.124 1.122 10.737 519 HG21 VAL 66 HG21 VAL 66 1.856 1.236 7.094 520 HG22 VAL 66 HG22 VAL 66 1.376 2.876 7.534 521 HG23 VAL 66 HG23 VAL 66 0.268 1.845 6.628 522 H ARG 67 HN ARG 67 -2.160 0.061 8.127 523 HA ARG 67 HA ARG 67 -1.965 -1.125 5.384 524 HB2 ARG 67 HB2 ARG 67 -3.261 -2.519 6.993 525 HB3 ARG 67 HB1 ARG 67 -4.342 -1.149 7.262 526 HG2 ARG 67 HG2 ARG 67 -4.983 -1.142 4.909 527 HG3 ARG 67 HG1 ARG 67 -3.827 -2.430 4.561 528 HD2 ARG 67 HD2 ARG 67 -6.052 -3.401 4.794 529 HD3 ARG 67 HD1 ARG 67 -5.060 -3.902 6.166 530 HE ARG 67 HE ARG 67 -6.496 -1.489 6.804 531 HH11 ARG 67 HH21 ARG 67 -6.806 -4.894 6.333 532 HH12 ARG 67 HH22 ARG 67 -8.164 -5.050 7.397 533 HH21 ARG 67 HH11 ARG 67 -8.267 -1.676 8.194 534 HH22 ARG 67 HH12 ARG 67 -8.990 -3.229 8.450 535 H ILE 68 HN ILE 68 -2.657 0.165 3.741 536 HA ILE 68 HA ILE 68 -3.843 2.816 4.487 537 HB ILE 68 HB ILE 68 -2.477 1.968 1.910 538 HG12 ILE 68 HG12 ILE 68 -1.415 3.709 4.155 539 HG13 ILE 68 HG11 ILE 68 -1.005 2.005 3.969 540 HG21 ILE 68 HG21 ILE 68 -3.291 4.685 2.996 541 HG22 ILE 68 HG22 ILE 68 -4.091 3.833 1.677 542 HG23 ILE 68 HG23 ILE 68 -2.434 4.401 1.480 543 HD11 ILE 68 HD11 ILE 68 0.058 2.396 1.861 544 HD12 ILE 68 HD12 ILE 68 0.654 3.648 2.951 545 HD13 ILE 68 HD13 ILE 68 -0.588 4.032 1.761 546 H ASP 69 HN ASP 69 -5.908 3.221 3.899 547 HA ASP 69 HA ASP 69 -7.255 1.322 2.002 548 HB2 ASP 69 HB2 ASP 69 -8.292 2.952 4.325 549 HB3 ASP 69 HB1 ASP 69 -9.362 2.198 3.144 550 H ASN 70 HN ASN 70 -8.421 2.159 0.301 551 HA ASN 70 HA ASN 70 -9.043 3.686 -1.348 552 HB2 ASN 70 HB2 ASN 70 -10.282 4.635 0.687 553 HB3 ASN 70 HB1 ASN 70 -8.969 5.804 0.811 554 HD21 ASN 70 HD21 ASN 70 -10.197 7.664 0.140 555 HD22 ASN 70 HD22 ASN 70 -10.830 7.821 -1.427 556 H ALA 71 HN ALA 71 -6.258 3.159 -1.018 557 HA ALA 71 HA ALA 71 -4.729 5.618 -1.035 558 HB1 ALA 71 HB1 ALA 71 -2.875 4.244 -1.713 559 HB2 ALA 71 HB2 ALA 71 -3.952 2.979 -2.305 560 HB3 ALA 71 HB3 ALA 71 -3.820 3.286 -0.574 561 H ARG 72 HN ARG 72 -3.951 6.774 -2.856 562 HA ARG 72 HA ARG 72 -5.522 6.344 -5.357 563 HB2 ARG 72 HB2 ARG 72 -5.477 8.591 -4.152 564 HB3 ARG 72 HB1 ARG 72 -3.788 8.720 -4.646 565 HG2 ARG 72 HG2 ARG 72 -4.415 8.560 -6.993 566 HG3 ARG 72 HG1 ARG 72 -6.101 8.284 -6.554 567 HD2 ARG 72 HD2 ARG 72 -5.804 10.627 -7.176 568 HD3 ARG 72 HD1 ARG 72 -6.152 10.513 -5.453 569 HE ARG 72 HE ARG 72 -3.939 11.245 -4.988 570 HH11 ARG 72 HH21 ARG 72 -4.418 10.463 -8.316 571 HH12 ARG 72 HH22 ARG 72 -2.934 11.187 -8.834 572 HH21 ARG 72 HH11 ARG 72 -2.003 12.202 -5.651 573 HH22 ARG 72 HH12 ARG 72 -1.568 12.172 -7.328 574 H VAL 73 HN VAL 73 -4.531 5.330 -6.998 575 HA VAL 73 HA VAL 73 -1.626 4.900 -6.978 576 HB VAL 73 HB VAL 73 -3.784 4.075 -8.943 577 HG11 VAL 73 HG11 VAL 73 -1.982 2.413 -9.648 578 HG12 VAL 73 HG12 VAL 73 -0.840 3.415 -8.751 579 HG13 VAL 73 HG13 VAL 73 -1.712 4.088 -10.129 580 HG21 VAL 73 HG21 VAL 73 -4.157 2.955 -6.870 581 HG22 VAL 73 HG22 VAL 73 -2.431 2.712 -6.610 582 HG23 VAL 73 HG23 VAL 73 -3.266 1.803 -7.866 583 H ALA 74 HN ALA 74 -0.158 6.005 -8.224 584 HA ALA 74 HA ALA 74 -1.145 7.689 -10.479 585 HB1 ALA 74 HB1 ALA 74 0.402 9.531 -9.608 586 HB2 ALA 74 HB2 ALA 74 0.428 8.651 -8.081 587 HB3 ALA 74 HB3 ALA 74 -1.094 9.287 -8.706 588 H GLN 75 HN GLN 75 0.562 8.226 -11.990 589 HA GLN 75 HA GLN 75 2.964 6.437 -11.765 590 HB2 GLN 75 HB2 GLN 75 1.458 5.822 -13.614 591 HB3 GLN 75 HB1 GLN 75 1.543 7.470 -14.238 592 HG2 GLN 75 HG2 GLN 75 3.904 7.258 -14.681 593 HG3 GLN 75 HG1 GLN 75 3.972 5.703 -13.851 594 HE21 GLN 75 HE21 GLN 75 4.016 3.997 -15.301 595 HE22 GLN 75 HE22 GLN 75 3.233 3.968 -16.806 596 H PHE 76 HN PHE 76 4.797 7.549 -11.399 597 HA PHE 76 HA PHE 76 5.065 10.316 -12.545 598 HB2 PHE 76 HB2 PHE 76 5.911 9.229 -9.851 599 HB3 PHE 76 HB1 PHE 76 6.582 10.715 -10.526 600 HD1 PHE 76 HD1 PHE 76 4.935 12.540 -11.281 601 HD2 PHE 76 HD2 PHE 76 3.822 9.266 -8.733 602 HE1 PHE 76 HE1 PHE 76 2.939 13.804 -10.529 603 HE2 PHE 76 HE2 PHE 76 1.826 10.531 -7.980 604 HZ PHE 76 HZ PHE 76 1.384 12.800 -8.879 605 H ASN 77 HN ASN 77 6.892 10.680 -13.704 606 HA ASN 77 HA ASN 77 8.848 10.182 -14.886 607 HB2 ASN 77 HB2 ASN 77 9.471 8.941 -12.193 608 HB3 ASN 77 HB1 ASN 77 10.654 9.086 -13.490 609 HD21 ASN 77 HD21 ASN 77 9.282 11.752 -14.303 610 HD22 ASN 77 HD22 ASN 77 9.886 12.867 -13.181 611 H GLY 78 HN GLY 78 6.580 8.328 -15.091 612 HA2 GLY 78 HA2 GLY 78 6.224 6.349 -16.314 613 HA3 GLY 78 HA1 GLY 78 7.974 6.191 -16.469 614 H TYR 79 HN TYR 79 7.045 6.609 -13.232 615 HA TYR 79 HA TYR 79 7.156 3.644 -12.757 616 HB2 TYR 79 HB2 TYR 79 8.324 5.906 -11.113 617 HB3 TYR 79 HB1 TYR 79 8.290 4.214 -10.610 618 HD1 TYR 79 HD1 TYR 79 9.327 2.471 -12.197 619 HD2 TYR 79 HD2 TYR 79 10.061 6.691 -12.517 620 HE1 TYR 79 HE1 TYR 79 11.360 2.014 -13.538 621 HE2 TYR 79 HE2 TYR 79 12.097 6.233 -13.859 622 HH TYR 79 HH TYR 79 13.744 4.213 -14.064 623 H LEU 80 HN LEU 80 5.672 2.791 -11.386 624 HA LEU 80 HA LEU 80 3.326 4.384 -10.756 625 HB2 LEU 80 HB2 LEU 80 4.146 1.517 -10.397 626 HB3 LEU 80 HB1 LEU 80 2.710 2.112 -9.565 627 HG LEU 80 HG LEU 80 2.266 1.078 -11.831 628 HD11 LEU 80 HD11 LEU 80 0.503 2.502 -12.239 629 HD12 LEU 80 HD12 LEU 80 1.485 3.958 -12.103 630 HD13 LEU 80 HD13 LEU 80 0.952 3.112 -10.649 631 HD21 LEU 80 HD21 LEU 80 3.514 3.602 -12.931 632 HD22 LEU 80 HD22 LEU 80 2.989 2.173 -13.820 633 HD23 LEU 80 HD23 LEU 80 4.419 2.096 -12.789 634 H SER 81 HN SER 81 2.585 5.016 -8.771 635 HA SER 81 HA SER 81 4.125 4.379 -6.330 636 HB2 SER 81 HB2 SER 81 3.928 7.146 -7.526 637 HB3 SER 81 HB1 SER 81 4.213 6.898 -5.806 638 HG SER 81 HG SER 81 6.185 7.035 -6.859 639 H LEU 82 HN LEU 82 2.910 4.867 -4.410 640 HA LEU 82 HA LEU 82 -0.020 5.223 -4.918 641 HB2 LEU 82 HB2 LEU 82 1.404 4.151 -2.464 642 HB3 LEU 82 HB1 LEU 82 -0.335 4.141 -2.754 643 HG LEU 82 HG LEU 82 1.730 2.701 -4.448 644 HD11 LEU 82 HD11 LEU 82 0.674 0.657 -3.490 645 HD12 LEU 82 HD12 LEU 82 -0.287 1.683 -2.426 646 HD13 LEU 82 HD13 LEU 82 1.469 1.643 -2.263 647 HD21 LEU 82 HD21 LEU 82 -0.043 3.149 -5.919 648 HD22 LEU 82 HD22 LEU 82 -1.257 3.068 -4.641 649 HD23 LEU 82 HD23 LEU 82 -0.518 1.588 -5.254 650 H SER 83 HN SER 83 -0.967 7.069 -4.255 651 HA SER 83 HA SER 83 0.595 8.912 -2.475 652 HB2 SER 83 HB2 SER 83 0.176 9.913 -4.622 653 HB3 SER 83 HB1 SER 83 -1.515 9.419 -4.589 654 HG SER 83 HG SER 83 -1.156 10.754 -2.392 655 H VAL 84 HN VAL 84 -0.207 9.226 -0.472 656 HA VAL 84 HA VAL 84 -2.979 8.294 0.136 657 HB VAL 84 HB VAL 84 -0.800 9.118 2.072 658 HG11 VAL 84 HG11 VAL 84 -3.342 7.500 2.312 659 HG12 VAL 84 HG12 VAL 84 -2.989 9.046 3.082 660 HG13 VAL 84 HG13 VAL 84 -2.120 7.593 3.577 661 HG21 VAL 84 HG21 VAL 84 -1.416 6.430 0.821 662 HG22 VAL 84 HG22 VAL 84 -0.425 6.622 2.267 663 HG23 VAL 84 HG23 VAL 84 0.103 7.321 0.737 664 H GLY 85 HN GLY 85 -4.423 9.920 -0.148 665 HA2 GLY 85 HA2 GLY 85 -3.643 12.726 0.409 666 HA3 GLY 85 HA1 GLY 85 -5.113 12.202 -0.405 667 H ASP 86 HN ASP 86 -5.745 13.979 1.292 668 HA ASP 86 HA ASP 86 -5.985 13.274 4.059 669 HB2 ASP 86 HB2 ASP 86 -6.212 15.587 2.988 670 HB3 ASP 86 HB1 ASP 86 -7.846 15.105 2.532 671 H SER 87 HN SER 87 -7.984 12.632 1.228 672 HA SER 87 HA SER 87 -10.267 11.696 2.771 673 HB2 SER 87 HB2 SER 87 -9.639 11.006 -0.106 674 HB3 SER 87 HB1 SER 87 -11.220 11.101 0.667 675 HG SER 87 HG SER 87 -11.209 13.098 0.033 676 H SER 88 HN SER 88 -7.218 10.426 2.221 677 HA SER 88 HA SER 88 -8.035 7.608 2.007 678 HB2 SER 88 HB2 SER 88 -5.938 8.489 0.949 679 HB3 SER 88 HB1 SER 88 -5.296 8.789 2.562 680 HG SER 88 HG SER 88 -6.346 6.264 1.956 681 H ARG 89 HN ARG 89 -7.198 6.037 3.682 682 HA ARG 89 HA ARG 89 -7.100 7.231 6.440 683 HB2 ARG 89 HB2 ARG 89 -9.403 6.414 5.968 684 HB3 ARG 89 HB1 ARG 89 -8.747 4.816 5.624 685 HG2 ARG 89 HG2 ARG 89 -7.841 4.686 7.914 686 HG3 ARG 89 HG1 ARG 89 -8.488 6.290 8.262 687 HD2 ARG 89 HD2 ARG 89 -10.772 5.465 7.831 688 HD3 ARG 89 HD1 ARG 89 -10.127 3.860 7.477 689 HE ARG 89 HE ARG 89 -9.320 4.828 10.098 690 HH11 ARG 89 HH21 ARG 89 -11.787 3.317 8.217 691 HH12 ARG 89 HH22 ARG 89 -12.485 2.482 9.564 692 HH21 ARG 89 HH11 ARG 89 -10.216 3.746 11.864 693 HH22 ARG 89 HH12 ARG 89 -11.595 2.726 11.630 694 H ILE 90 HN ILE 90 -5.618 6.270 7.764 695 HA ILE 90 HA ILE 90 -4.156 3.864 6.711 696 HB ILE 90 HB ILE 90 -3.158 6.159 8.426 697 HG12 ILE 90 HG12 ILE 90 -2.287 5.251 5.669 698 HG13 ILE 90 HG11 ILE 90 -3.450 6.546 5.942 699 HG21 ILE 90 HG21 ILE 90 -0.928 4.926 8.043 700 HG22 ILE 90 HG22 ILE 90 -1.911 3.533 7.595 701 HG23 ILE 90 HG23 ILE 90 -2.039 4.218 9.214 702 HD11 ILE 90 HD11 ILE 90 -1.033 7.292 5.624 703 HD12 ILE 90 HD12 ILE 90 -0.693 6.544 7.184 704 HD13 ILE 90 HD13 ILE 90 -1.829 7.888 7.080 705 H GLU 91 HN GLU 91 -4.175 2.097 8.011 706 HA GLU 91 HA GLU 91 -5.125 2.432 10.844 707 HB2 GLU 91 HB2 GLU 91 -6.716 1.231 9.301 708 HB3 GLU 91 HB1 GLU 91 -5.473 0.003 9.061 709 HG2 GLU 91 HG2 GLU 91 -6.946 -0.786 10.802 710 HG3 GLU 91 HG1 GLU 91 -5.428 -0.319 11.569 711 H SER 92 HN SER 92 -3.742 1.730 12.371 712 HA SER 92 HA SER 92 -1.112 0.776 11.639 713 HB2 SER 92 HB2 SER 92 -0.616 0.948 13.929 714 HB3 SER 92 HB1 SER 92 -1.885 2.151 13.719 715 HG SER 92 HG SER 92 -3.330 0.795 14.634 716 H VAL 93 HN VAL 93 -0.208 -1.303 12.120 717 HA VAL 93 HA VAL 93 -2.207 -3.504 12.549 718 HB VAL 93 HB VAL 93 0.119 -3.357 10.612 719 HG11 VAL 93 HG11 VAL 93 -0.669 -5.750 10.061 720 HG12 VAL 93 HG12 VAL 93 -1.466 -5.721 11.634 721 HG13 VAL 93 HG13 VAL 93 0.286 -5.545 11.530 722 HG21 VAL 93 HG21 VAL 93 -1.586 -3.700 8.944 723 HG22 VAL 93 HG22 VAL 93 -2.153 -2.408 10.003 724 HG23 VAL 93 HG23 VAL 93 -2.801 -4.038 10.177 725 H ASN 94 HN ASN 94 -1.666 -4.936 14.104 726 HA ASN 94 HA ASN 94 -0.435 -6.058 15.736 727 HB2 ASN 94 HB2 ASN 94 1.212 -6.233 13.711 728 HB3 ASN 94 HB1 ASN 94 2.126 -4.985 14.552 729 HD21 ASN 94 HD21 ASN 94 3.895 -6.380 15.165 730 HD22 ASN 94 HD22 ASN 94 3.703 -7.638 16.288 731 H VAL 95 HN VAL 95 0.595 -2.748 14.988 732 HA VAL 95 HA VAL 95 1.123 -2.317 17.915 733 HB VAL 95 HB VAL 95 2.208 -0.928 15.449 734 HG11 VAL 95 HG11 VAL 95 2.321 -0.165 18.371 735 HG12 VAL 95 HG12 VAL 95 1.850 0.839 17.000 736 HG13 VAL 95 HG13 VAL 95 3.539 0.383 17.219 737 HG21 VAL 95 HG21 VAL 95 3.266 -3.074 16.122 738 HG22 VAL 95 HG22 VAL 95 3.549 -2.412 17.732 739 HG23 VAL 95 HG23 VAL 95 4.363 -1.709 16.334 740 H ASN 96 HN ASN 96 -0.197 -0.951 18.962 741 HA ASN 96 HA ASN 96 -1.525 1.269 17.611 742 HB2 ASN 96 HB2 ASN 96 -2.979 -0.758 17.115 743 HB3 ASN 96 HB1 ASN 96 -3.272 -0.875 18.850 744 HD21 ASN 96 HD21 ASN 96 -5.531 -0.272 18.729 745 HD22 ASN 96 HD22 ASN 96 -6.022 1.292 18.288 746 H ILE 97 HN ILE 97 -0.128 2.219 19.321 747 HA ILE 97 HA ILE 97 -1.614 2.431 21.889 748 HB ILE 97 HB ILE 97 1.379 1.985 21.855 749 HG12 ILE 97 HG12 ILE 97 -0.873 -0.010 22.271 750 HG13 ILE 97 HG11 ILE 97 0.375 -0.065 21.026 751 HG21 ILE 97 HG21 ILE 97 1.121 1.742 24.228 752 HG22 ILE 97 HG22 ILE 97 -0.636 1.673 24.094 753 HG23 ILE 97 HG23 ILE 97 0.214 3.185 23.777 754 HD11 ILE 97 HD11 ILE 97 0.675 -0.513 23.997 755 HD12 ILE 97 HD12 ILE 97 2.063 -0.110 22.986 756 HD13 ILE 97 HD13 ILE 97 1.142 -1.583 22.676 757 HA PRO 98 HA PRO 98 -0.183 6.454 19.987 758 HB2 PRO 98 HB2 PRO 98 -2.757 7.299 21.253 759 HB3 PRO 98 HB1 PRO 98 -2.145 7.625 19.619 760 HG2 PRO 98 HG2 PRO 98 -4.105 5.869 20.026 761 HG3 PRO 98 HG1 PRO 98 -2.851 5.580 18.804 762 HD2 PRO 98 HD2 PRO 98 -3.131 4.364 21.538 763 HD3 PRO 98 HD1 PRO 98 -2.608 3.605 20.017 764 H LEU 99 HN LEU 99 0.794 8.172 21.066 765 HA LEU 99 HA LEU 99 1.996 9.069 22.892 766 HB2 LEU 99 HB2 LEU 99 -0.813 9.184 24.015 767 HB3 LEU 99 HB1 LEU 99 0.536 10.232 24.444 768 HG LEU 99 HG LEU 99 -0.719 10.047 21.688 769 HD11 LEU 99 HD11 LEU 99 -0.848 12.304 23.707 770 HD12 LEU 99 HD12 LEU 99 -2.120 11.099 23.519 771 HD13 LEU 99 HD13 LEU 99 -1.728 12.181 22.184 772 HD21 LEU 99 HD21 LEU 99 0.666 12.265 21.499 773 HD22 LEU 99 HD22 LEU 99 1.512 10.729 21.335 774 HD23 LEU 99 HD23 LEU 99 1.586 11.615 22.858 775 H GLU 100 HN GLU 100 0.134 8.617 25.522 776 HA GLU 100 HA GLU 100 0.390 7.347 27.459 777 HB2 GLU 100 HB2 GLU 100 -0.614 5.640 25.808 778 HB3 GLU 100 HB1 GLU 100 1.027 5.016 25.634 779 HG2 GLU 100 HG2 GLU 100 1.158 4.578 28.035 780 HG3 GLU 100 HG1 GLU 100 -0.426 5.312 28.283 781 H HIS 101 HN HIS 101 2.613 8.812 26.689 782 HA HIS 101 HA HIS 101 5.045 7.306 26.517 783 HB2 HIS 101 HB2 HIS 101 4.480 10.113 27.507 784 HB3 HIS 101 HB1 HIS 101 6.103 9.463 27.282 785 HD1 HIS 101 HD1 HIS 101 6.511 8.455 24.730 786 HD2 HIS 101 HD2 HIS 101 3.466 11.261 25.212 787 HE1 HIS 101 HE1 HIS 101 6.007 9.368 22.422 788 H HIS 102 HN HIS 102 3.307 8.725 29.298 789 HA HIS 102 HA HIS 102 5.157 7.238 31.136 790 HB2 HIS 102 HB2 HIS 102 3.378 9.646 31.622 791 HB3 HIS 102 HB1 HIS 102 4.313 8.825 32.874 792 HD1 HIS 102 HD1 HIS 102 6.996 8.696 32.362 793 HD2 HIS 102 HD2 HIS 102 4.840 11.553 30.224 794 HE1 HIS 102 HE1 HIS 102 8.694 10.338 31.448 795 H HIS 103 HN HIS 103 4.305 5.362 31.798 796 HA HIS 103 HA HIS 103 1.387 4.941 31.829 797 HB2 HIS 103 HB2 HIS 103 2.121 2.601 32.542 798 HB3 HIS 103 HB1 HIS 103 2.680 3.124 30.951 799 HD1 HIS 103 HD1 HIS 103 3.888 2.170 34.328 800 HD2 HIS 103 HD2 HIS 103 5.481 3.917 30.893 801 HE1 HIS 103 HE1 HIS 103 6.407 2.088 34.584 802 H HIS 104 HN HIS 104 2.779 3.039 34.170 803 HA HIS 104 HA HIS 104 1.301 4.247 36.316 804 HB2 HIS 104 HB2 HIS 104 3.467 2.135 36.240 805 HB3 HIS 104 HB1 HIS 104 2.647 2.611 37.728 806 HD1 HIS 104 HD1 HIS 104 2.015 0.948 34.399 807 HD2 HIS 104 HD2 HIS 104 -0.014 1.681 37.966 808 HE1 HIS 104 HE1 HIS 104 -0.117 -0.417 34.305 809 H HIS 105 HN HIS 105 4.728 4.310 35.384 810 HA HIS 105 HA HIS 105 6.534 5.524 36.291 811 HB2 HIS 105 HB2 HIS 105 5.381 7.216 34.935 812 HB3 HIS 105 HB1 HIS 105 4.351 7.626 36.305 813 HD1 HIS 105 HD1 HIS 105 8.057 7.543 35.409 814 HD2 HIS 105 HD2 HIS 105 5.460 9.529 37.996 815 HE1 HIS 105 HE1 HIS 105 9.433 9.316 36.582 816 H HIS 106 HN HIS 106 4.525 7.676 38.086 817 HA HIS 106 HA HIS 106 4.716 6.177 40.600 818 HB2 HIS 106 HB2 HIS 106 6.385 8.660 40.107 819 HB3 HIS 106 HB1 HIS 106 6.098 7.962 41.701 820 HD1 HIS 106 HD1 HIS 106 7.946 7.376 38.495 821 HD2 HIS 106 HD2 HIS 106 7.446 5.486 42.177 822 HE1 HIS 106 HE1 HIS 106 9.688 5.541 38.601 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 -10.124 0.637 -4.601 2 H2 SER 1 HT2 SER 1 -11.281 1.742 -4.028 3 H3 SER 1 HT3 SER 1 -11.550 0.071 -3.879 4 HA SER 1 HA SER 1 -9.175 1.266 -2.626 5 HB2 SER 1 HB2 SER 1 -10.622 1.506 -0.546 6 HB3 SER 1 HB1 SER 1 -10.893 2.707 -1.803 7 HG SER 1 HG SER 1 -12.445 0.651 -2.348 8 H ASP 2 HN ASP 2 -10.485 -1.299 -3.833 9 HA ASP 2 HA ASP 2 -10.709 -3.169 -1.638 10 HB2 ASP 2 HB2 ASP 2 -10.353 -3.519 -4.626 11 HB3 ASP 2 HB1 ASP 2 -10.475 -4.885 -3.518 12 H LEU 3 HN LEU 3 -9.226 -4.750 -1.003 13 HA LEU 3 HA LEU 3 -6.471 -3.918 -0.984 14 HB2 LEU 3 HB2 LEU 3 -7.410 -5.080 0.936 15 HB3 LEU 3 HB1 LEU 3 -7.817 -6.478 -0.059 16 HG LEU 3 HG LEU 3 -5.444 -6.918 -0.473 17 HD11 LEU 3 HD11 LEU 3 -5.125 -4.271 0.939 18 HD12 LEU 3 HD12 LEU 3 -4.382 -4.830 -0.560 19 HD13 LEU 3 HD13 LEU 3 -3.820 -5.458 0.984 20 HD21 LEU 3 HD21 LEU 3 -6.099 -6.417 2.441 21 HD22 LEU 3 HD22 LEU 3 -4.727 -7.372 1.877 22 HD23 LEU 3 HD23 LEU 3 -6.372 -7.908 1.538 23 H VAL 4 HN VAL 4 -4.920 -4.403 -2.385 24 HA VAL 4 HA VAL 4 -5.149 -6.848 -4.080 25 HB VAL 4 HB VAL 4 -4.481 -5.541 -6.064 26 HG11 VAL 4 HG11 VAL 4 -6.954 -4.417 -4.728 27 HG12 VAL 4 HG12 VAL 4 -6.879 -5.978 -5.544 28 HG13 VAL 4 HG13 VAL 4 -6.637 -4.493 -6.461 29 HG21 VAL 4 HG21 VAL 4 -4.666 -3.253 -4.101 30 HG22 VAL 4 HG22 VAL 4 -4.825 -2.993 -5.838 31 HG23 VAL 4 HG23 VAL 4 -3.333 -3.662 -5.179 32 H LYS 5 HN LYS 5 -3.104 -7.353 -5.154 33 HA LYS 5 HA LYS 5 -0.869 -7.123 -3.309 34 HB2 LYS 5 HB2 LYS 5 -1.170 -8.433 -6.025 35 HB3 LYS 5 HB1 LYS 5 0.311 -8.503 -5.068 36 HG2 LYS 5 HG2 LYS 5 -0.939 -9.527 -3.201 37 HG3 LYS 5 HG1 LYS 5 -2.420 -9.463 -4.156 38 HD2 LYS 5 HD2 LYS 5 -1.449 -10.959 -5.827 39 HD3 LYS 5 HD1 LYS 5 0.087 -10.967 -4.963 40 HE2 LYS 5 HE2 LYS 5 -1.193 -12.991 -4.419 41 HE3 LYS 5 HE1 LYS 5 -1.044 -11.966 -2.991 42 HZ1 LYS 5 HZ1 LYS 5 -3.240 -11.987 -2.862 43 HZ2 LYS 5 HZ2 LYS 5 -3.383 -12.816 -4.339 44 HZ3 LYS 5 HZ3 LYS 5 -3.312 -11.118 -4.318 45 H ILE 6 HN ILE 6 1.099 -6.141 -3.699 46 HA ILE 6 HA ILE 6 1.079 -3.607 -4.933 47 HB ILE 6 HB ILE 6 3.532 -5.291 -4.344 48 HG12 ILE 6 HG12 ILE 6 1.753 -4.958 -2.438 49 HG13 ILE 6 HG11 ILE 6 3.441 -4.610 -2.090 50 HG21 ILE 6 HG21 ILE 6 3.031 -2.339 -4.738 51 HG22 ILE 6 HG22 ILE 6 4.213 -3.365 -5.547 52 HG23 ILE 6 HG23 ILE 6 4.443 -2.920 -3.857 53 HD11 ILE 6 HD11 ILE 6 1.676 -2.851 -1.372 54 HD12 ILE 6 HD12 ILE 6 1.594 -2.438 -3.078 55 HD13 ILE 6 HD13 ILE 6 3.114 -2.278 -2.210 56 H ARG 7 HN ARG 7 2.243 -6.710 -6.085 57 HA ARG 7 HA ARG 7 3.511 -5.797 -8.454 58 HB2 ARG 7 HB2 ARG 7 3.641 -8.125 -7.397 59 HB3 ARG 7 HB1 ARG 7 2.078 -8.451 -8.146 60 HG2 ARG 7 HG2 ARG 7 3.513 -9.228 -9.817 61 HG3 ARG 7 HG1 ARG 7 3.290 -7.559 -10.341 62 HD2 ARG 7 HD2 ARG 7 5.373 -6.910 -9.160 63 HD3 ARG 7 HD1 ARG 7 5.592 -8.578 -8.641 64 HE ARG 7 HE ARG 7 5.347 -8.608 -11.457 65 HH11 ARG 7 HH21 ARG 7 7.433 -7.340 -8.986 66 HH12 ARG 7 HH22 ARG 7 8.850 -7.418 -9.980 67 HH21 ARG 7 HH11 ARG 7 7.191 -8.704 -12.736 68 HH22 ARG 7 HH12 ARG 7 8.713 -8.187 -12.092 69 H ASP 8 HN ASP 8 0.141 -6.535 -7.744 70 HA ASP 8 HA ASP 8 -0.659 -6.347 -10.563 71 HB2 ASP 8 HB2 ASP 8 -2.900 -6.775 -9.752 72 HB3 ASP 8 HB1 ASP 8 -1.794 -7.857 -8.911 73 H VAL 9 HN VAL 9 0.461 -4.035 -8.726 74 HA VAL 9 HA VAL 9 -1.641 -2.050 -8.729 75 HB VAL 9 HB VAL 9 1.373 -1.864 -8.451 76 HG11 VAL 9 HG11 VAL 9 0.770 0.249 -9.360 77 HG12 VAL 9 HG12 VAL 9 0.791 0.507 -7.616 78 HG13 VAL 9 HG13 VAL 9 -0.744 0.295 -8.459 79 HG21 VAL 9 HG21 VAL 9 -0.741 -1.212 -6.393 80 HG22 VAL 9 HG22 VAL 9 0.946 -1.655 -6.142 81 HG23 VAL 9 HG23 VAL 9 -0.222 -2.877 -6.651 82 H SER 10 HN SER 10 -2.295 -0.789 -10.336 83 HA SER 10 HA SER 10 -0.559 -0.031 -12.557 84 HB2 SER 10 HB2 SER 10 -2.123 -0.971 -14.284 85 HB3 SER 10 HB1 SER 10 -1.223 -2.193 -13.391 86 HG SER 10 HG SER 10 -3.172 -2.157 -11.955 87 H LEU 11 HN LEU 11 -1.733 1.401 -14.080 88 HA LEU 11 HA LEU 11 -3.182 3.435 -12.697 89 HB2 LEU 11 HB2 LEU 11 -3.109 2.973 -15.701 90 HB3 LEU 11 HB1 LEU 11 -3.407 4.498 -14.865 91 HG LEU 11 HG LEU 11 -0.828 2.903 -14.754 92 HD11 LEU 11 HD11 LEU 11 -1.256 5.650 -15.940 93 HD12 LEU 11 HD12 LEU 11 -1.417 4.185 -16.909 94 HD13 LEU 11 HD13 LEU 11 0.126 4.574 -16.148 95 HD21 LEU 11 HD21 LEU 11 -1.804 5.391 -13.352 96 HD22 LEU 11 HD22 LEU 11 -0.086 5.174 -13.679 97 HD23 LEU 11 HD23 LEU 11 -0.941 4.006 -12.682 98 H SER 12 HN SER 12 -4.210 0.631 -14.527 99 HA SER 12 HA SER 12 -6.891 1.267 -15.100 100 HB2 SER 12 HB2 SER 12 -5.616 -1.351 -14.249 101 HB3 SER 12 HB1 SER 12 -7.303 -1.233 -14.745 102 HG SER 12 HG SER 12 -4.949 -0.861 -16.229 103 H THR 13 HN THR 13 -5.316 0.764 -12.074 104 HA THR 13 HA THR 13 -7.933 0.692 -10.644 105 HB THR 13 HB THR 13 -6.958 -0.496 -8.927 106 HG1 THR 13 HG1 THR 13 -4.354 -0.436 -9.490 107 HG21 THR 13 HG21 THR 13 -5.273 -1.324 -11.298 108 HG22 THR 13 HG22 THR 13 -6.975 -1.745 -11.107 109 HG23 THR 13 HG23 THR 13 -5.785 -2.334 -9.947 110 HA PRO 14 HA PRO 14 -6.299 4.933 -9.871 111 HB2 PRO 14 HB2 PRO 14 -8.750 6.130 -9.561 112 HB3 PRO 14 HB1 PRO 14 -8.016 5.817 -11.145 113 HG2 PRO 14 HG2 PRO 14 -10.171 4.330 -9.734 114 HG3 PRO 14 HG1 PRO 14 -9.967 4.648 -11.463 115 HD2 PRO 14 HD2 PRO 14 -9.360 2.257 -10.217 116 HD3 PRO 14 HD1 PRO 14 -8.669 2.771 -11.772 117 H TYR 15 HN TYR 15 -8.345 2.858 -8.024 118 HA TYR 15 HA TYR 15 -7.409 4.158 -5.516 119 HB2 TYR 15 HB2 TYR 15 -10.306 3.480 -6.109 120 HB3 TYR 15 HB1 TYR 15 -9.679 3.985 -4.539 121 HD1 TYR 15 HD1 TYR 15 -8.381 6.223 -4.442 122 HD2 TYR 15 HD2 TYR 15 -10.971 5.109 -7.683 123 HE1 TYR 15 HE1 TYR 15 -8.569 8.604 -5.111 124 HE2 TYR 15 HE2 TYR 15 -11.157 7.489 -8.353 125 HH TYR 15 HH TYR 15 -9.095 9.849 -7.332 126 H VAL 16 HN VAL 16 -6.555 2.654 -4.268 127 HA VAL 16 HA VAL 16 -7.784 -0.008 -4.005 128 HB VAL 16 HB VAL 16 -5.632 -1.170 -4.489 129 HG11 VAL 16 HG11 VAL 16 -7.513 -0.808 -6.182 130 HG12 VAL 16 HG12 VAL 16 -5.929 -1.190 -6.851 131 HG13 VAL 16 HG13 VAL 16 -6.512 0.473 -6.863 132 HG21 VAL 16 HG21 VAL 16 -4.815 1.576 -5.501 133 HG22 VAL 16 HG22 VAL 16 -3.921 0.087 -5.804 134 HG23 VAL 16 HG23 VAL 16 -4.083 0.698 -4.157 135 H SER 17 HN SER 17 -6.419 -1.345 -2.436 136 HA SER 17 HA SER 17 -5.181 0.398 -0.330 137 HB2 SER 17 HB2 SER 17 -7.048 -1.947 0.140 138 HB3 SER 17 HB1 SER 17 -6.280 -0.958 1.378 139 HG SER 17 HG SER 17 -8.415 -0.270 0.920 140 H VAL 18 HN VAL 18 -3.536 -0.565 0.858 141 HA VAL 18 HA VAL 18 -2.615 -3.285 0.066 142 HB VAL 18 HB VAL 18 -0.293 -2.405 -0.191 143 HG11 VAL 18 HG11 VAL 18 -0.642 -1.501 -2.436 144 HG12 VAL 18 HG12 VAL 18 -2.325 -1.139 -2.051 145 HG13 VAL 18 HG13 VAL 18 -1.780 -2.815 -2.139 146 HG21 VAL 18 HG21 VAL 18 -1.710 0.282 -0.073 147 HG22 VAL 18 HG22 VAL 18 -0.037 0.048 -0.582 148 HG23 VAL 18 HG23 VAL 18 -0.512 -0.319 1.075 149 H ILE 19 HN ILE 19 -1.030 -4.150 1.513 150 HA ILE 19 HA ILE 19 -0.816 -2.820 4.178 151 HB ILE 19 HB ILE 19 -1.683 -5.681 3.668 152 HG12 ILE 19 HG12 ILE 19 -3.050 -3.486 5.233 153 HG13 ILE 19 HG11 ILE 19 -3.399 -3.793 3.535 154 HG21 ILE 19 HG21 ILE 19 -1.788 -5.677 6.238 155 HG22 ILE 19 HG22 ILE 19 -0.778 -4.234 6.165 156 HG23 ILE 19 HG23 ILE 19 -0.182 -5.762 5.514 157 HD11 ILE 19 HD11 ILE 19 -5.042 -4.997 4.798 158 HD12 ILE 19 HD12 ILE 19 -3.814 -5.670 5.870 159 HD13 ILE 19 HD13 ILE 19 -3.901 -6.194 4.188 160 H GLY 20 HN GLY 20 1.163 -2.946 5.033 161 HA2 GLY 20 HA2 GLY 20 2.986 -5.099 4.828 162 HA3 GLY 20 HA1 GLY 20 3.377 -3.993 3.511 163 H LYS 21 HN LYS 21 5.411 -3.647 4.606 164 HA LYS 21 HA LYS 21 5.248 -1.891 7.030 165 HB2 LYS 21 HB2 LYS 21 6.504 -4.074 7.227 166 HB3 LYS 21 HB1 LYS 21 7.647 -3.429 6.046 167 HG2 LYS 21 HG2 LYS 21 8.187 -1.566 7.505 168 HG3 LYS 21 HG1 LYS 21 6.931 -2.041 8.644 169 HD2 LYS 21 HD2 LYS 21 8.926 -2.890 9.599 170 HD3 LYS 21 HD1 LYS 21 8.186 -4.288 8.826 171 HE2 LYS 21 HE2 LYS 21 9.666 -4.117 6.928 172 HE3 LYS 21 HE1 LYS 21 10.284 -2.561 7.481 173 HZ1 LYS 21 HZ1 LYS 21 11.168 -3.663 9.444 174 HZ2 LYS 21 HZ2 LYS 21 11.805 -4.339 8.022 175 HZ3 LYS 21 HZ3 LYS 21 10.591 -5.156 8.885 176 H ILE 22 HN ILE 22 5.853 0.121 6.862 177 HA ILE 22 HA ILE 22 7.028 1.085 4.300 178 HB ILE 22 HB ILE 22 5.706 2.584 6.585 179 HG12 ILE 22 HG12 ILE 22 4.720 2.019 3.768 180 HG13 ILE 22 HG11 ILE 22 4.209 1.114 5.190 181 HG21 ILE 22 HG21 ILE 22 7.331 4.004 5.482 182 HG22 ILE 22 HG22 ILE 22 5.730 4.476 4.930 183 HG23 ILE 22 HG23 ILE 22 6.765 3.492 3.895 184 HD11 ILE 22 HD11 ILE 22 3.582 3.445 6.172 185 HD12 ILE 22 HD12 ILE 22 2.522 2.737 4.954 186 HD13 ILE 22 HD13 ILE 22 3.668 3.996 4.500 187 H THR 23 HN THR 23 9.034 1.880 4.217 188 HA THR 23 HA THR 23 10.431 2.735 6.688 189 HB THR 23 HB THR 23 11.721 0.753 4.809 190 HG1 THR 23 HG1 THR 23 9.749 0.215 6.345 191 HG21 THR 23 HG21 THR 23 12.377 1.455 7.674 192 HG22 THR 23 HG22 THR 23 13.087 2.303 6.300 193 HG23 THR 23 HG23 THR 23 13.381 0.578 6.519 194 H GLY 24 HN GLY 24 12.088 4.168 6.317 195 HA2 GLY 24 HA2 GLY 24 13.553 5.568 5.103 196 HA3 GLY 24 HA1 GLY 24 12.979 4.845 3.600 197 H ILE 25 HN ILE 25 12.050 7.064 6.204 198 HA ILE 25 HA ILE 25 9.979 8.304 4.466 199 HB ILE 25 HB ILE 25 10.682 8.455 7.401 200 HG12 ILE 25 HG12 ILE 25 8.359 7.805 7.669 201 HG13 ILE 25 HG11 ILE 25 8.038 8.082 5.958 202 HG21 ILE 25 HG21 ILE 25 8.771 10.231 7.459 203 HG22 ILE 25 HG22 ILE 25 9.162 10.477 5.754 204 HG23 ILE 25 HG23 ILE 25 10.389 10.760 6.989 205 HD11 ILE 25 HD11 ILE 25 9.307 6.202 5.293 206 HD12 ILE 25 HD12 ILE 25 8.423 5.644 6.713 207 HD13 ILE 25 HD13 ILE 25 10.120 6.090 6.854 208 H HIS 26 HN HIS 26 10.635 9.832 3.145 209 HA HIS 26 HA HIS 26 12.861 11.678 3.956 210 HB2 HIS 26 HB2 HIS 26 11.867 10.855 1.209 211 HB3 HIS 26 HB1 HIS 26 13.078 12.105 1.500 212 HD1 HIS 26 HD1 HIS 26 12.536 8.380 1.825 213 HD2 HIS 26 HD2 HIS 26 15.641 11.139 2.187 214 HE1 HIS 26 HE1 HIS 26 14.672 7.033 2.021 215 H LYS 27 HN LYS 27 12.220 13.642 4.480 216 HA LYS 27 HA LYS 27 9.497 14.580 3.835 217 HB2 LYS 27 HB2 LYS 27 10.564 14.823 6.124 218 HB3 LYS 27 HB1 LYS 27 11.652 16.009 5.405 219 HG2 LYS 27 HG2 LYS 27 9.782 17.425 4.772 220 HG3 LYS 27 HG1 LYS 27 8.630 16.202 5.296 221 HD2 LYS 27 HD2 LYS 27 8.726 17.773 7.088 222 HD3 LYS 27 HD1 LYS 27 9.688 16.395 7.620 223 HE2 LYS 27 HE2 LYS 27 11.742 17.522 7.144 224 HE3 LYS 27 HE1 LYS 27 10.920 18.792 6.240 225 HZ1 LYS 27 HZ1 LYS 27 10.417 19.883 8.097 226 HZ2 LYS 27 HZ2 LYS 27 11.613 18.930 8.837 227 HZ3 LYS 27 HZ3 LYS 27 9.978 18.476 8.938 228 H LYS 28 HN LYS 28 9.029 16.059 2.357 229 HA LYS 28 HA LYS 28 11.102 17.864 1.259 230 HB2 LYS 28 HB2 LYS 28 11.178 15.809 -0.154 231 HB3 LYS 28 HB1 LYS 28 9.467 16.035 -0.523 232 HG2 LYS 28 HG2 LYS 28 9.946 18.234 -1.506 233 HG3 LYS 28 HG1 LYS 28 11.653 18.059 -1.095 234 HD2 LYS 28 HD2 LYS 28 11.803 16.073 -2.545 235 HD3 LYS 28 HD1 LYS 28 10.096 16.238 -2.955 236 HE2 LYS 28 HE2 LYS 28 11.443 17.240 -4.724 237 HE3 LYS 28 HE1 LYS 28 10.575 18.512 -3.863 238 HZ1 LYS 28 HZ1 LYS 28 12.629 18.756 -2.473 239 HZ2 LYS 28 HZ2 LYS 28 12.787 19.242 -4.094 240 HZ3 LYS 28 HZ3 LYS 28 13.423 17.751 -3.584 241 H GLU 29 HN GLU 29 10.205 19.677 0.216 242 HA GLU 29 HA GLU 29 7.289 20.119 0.773 243 HB2 GLU 29 HB2 GLU 29 9.596 22.088 0.626 244 HB3 GLU 29 HB1 GLU 29 7.903 22.539 0.817 245 HG2 GLU 29 HG2 GLU 29 8.646 22.486 3.040 246 HG3 GLU 29 HG1 GLU 29 7.933 20.886 2.854 247 H TYR 30 HN TYR 30 5.980 20.855 -0.791 248 HA TYR 30 HA TYR 30 7.149 21.632 -3.427 249 HB2 TYR 30 HB2 TYR 30 5.765 20.112 -4.659 250 HB3 TYR 30 HB1 TYR 30 6.609 19.159 -3.445 251 HD1 TYR 30 HD1 TYR 30 5.309 18.985 -1.094 252 HD2 TYR 30 HD2 TYR 30 3.461 19.781 -4.892 253 HE1 TYR 30 HE1 TYR 30 3.134 18.182 -0.211 254 HE2 TYR 30 HE2 TYR 30 1.291 18.980 -4.008 255 HH TYR 30 HH TYR 30 0.736 18.473 -0.691 256 H GLU 31 HN GLU 31 5.591 22.698 -4.796 257 HA GLU 31 HA GLU 31 3.692 24.342 -3.228 258 HB2 GLU 31 HB2 GLU 31 4.780 24.546 -6.051 259 HB3 GLU 31 HB1 GLU 31 3.549 25.635 -5.409 260 HG2 GLU 31 HG2 GLU 31 5.040 26.343 -3.624 261 HG3 GLU 31 HG1 GLU 31 6.267 25.187 -4.145 262 H SER 32 HN SER 32 1.938 23.032 -2.907 263 HA SER 32 HA SER 32 0.710 21.473 -5.034 264 HB2 SER 32 HB2 SER 32 0.631 21.116 -2.427 265 HB3 SER 32 HB1 SER 32 -0.723 22.237 -2.494 266 HG SER 32 HG SER 32 -0.440 19.672 -3.576 267 H ASP 33 HN ASP 33 -2.016 22.177 -4.197 268 HA ASP 33 HA ASP 33 -2.754 23.929 -6.261 269 HB2 ASP 33 HB2 ASP 33 -4.318 22.406 -5.075 270 HB3 ASP 33 HB1 ASP 33 -4.245 23.451 -3.657 271 H GLY 34 HN GLY 34 -1.058 25.568 -5.941 272 HA2 GLY 34 HA2 GLY 34 -0.411 27.738 -5.408 273 HA3 GLY 34 HA1 GLY 34 -2.109 28.031 -5.029 274 H THR 35 HN THR 35 -0.371 25.523 -3.378 275 HA THR 35 HA THR 35 0.200 27.261 -1.037 276 HB THR 35 HB THR 35 -2.101 26.565 -0.631 277 HG1 THR 35 HG1 THR 35 -0.088 25.231 0.832 278 HG21 THR 35 HG21 THR 35 -1.188 23.693 -0.740 279 HG22 THR 35 HG22 THR 35 -1.855 24.497 -2.158 280 HG23 THR 35 HG23 THR 35 -2.836 24.314 -0.706 281 H THR 36 HN THR 36 1.865 26.507 0.174 282 HA THR 36 HA THR 36 3.397 24.232 -0.909 283 HB THR 36 HB THR 36 4.074 26.194 1.308 284 HG1 THR 36 HG1 THR 36 4.248 26.231 -1.450 285 HG21 THR 36 HG21 THR 36 5.372 24.180 1.558 286 HG22 THR 36 HG22 THR 36 6.414 25.382 0.797 287 HG23 THR 36 HG23 THR 36 5.685 24.104 -0.176 288 H LYS 37 HN LYS 37 3.341 22.281 -0.060 289 HA LYS 37 HA LYS 37 2.650 21.907 2.823 290 HB2 LYS 37 HB2 LYS 37 1.396 20.492 0.457 291 HB3 LYS 37 HB1 LYS 37 1.306 19.880 2.110 292 HG2 LYS 37 HG2 LYS 37 0.242 21.981 2.838 293 HG3 LYS 37 HG1 LYS 37 0.329 22.599 1.188 294 HD2 LYS 37 HD2 LYS 37 -1.096 20.744 0.409 295 HD3 LYS 37 HD1 LYS 37 -1.181 20.112 2.052 296 HE2 LYS 37 HE2 LYS 37 -2.168 22.846 1.180 297 HE3 LYS 37 HE1 LYS 37 -3.191 21.447 1.493 298 HZ1 LYS 37 HZ1 LYS 37 -1.905 21.483 3.757 299 HZ2 LYS 37 HZ2 LYS 37 -3.263 22.473 3.507 300 HZ3 LYS 37 HZ3 LYS 37 -1.698 23.122 3.374 301 H SER 38 HN SER 38 3.616 20.140 3.771 302 HA SER 38 HA SER 38 6.047 19.165 2.472 303 HB2 SER 38 HB2 SER 38 6.120 19.746 4.842 304 HB3 SER 38 HB1 SER 38 4.842 18.587 5.196 305 HG SER 38 HG SER 38 7.404 18.013 4.108 306 H VAL 39 HN VAL 39 6.486 17.072 1.897 307 HA VAL 39 HA VAL 39 4.255 15.082 2.032 308 HB VAL 39 HB VAL 39 4.440 16.244 -0.236 309 HG11 VAL 39 HG11 VAL 39 7.022 16.188 -0.122 310 HG12 VAL 39 HG12 VAL 39 6.271 15.767 -1.661 311 HG13 VAL 39 HG13 VAL 39 6.878 14.495 -0.600 312 HG21 VAL 39 HG21 VAL 39 3.287 14.145 -0.050 313 HG22 VAL 39 HG22 VAL 39 4.804 13.255 0.075 314 HG23 VAL 39 HG23 VAL 39 4.350 14.017 -1.450 315 H TYR 40 HN TYR 40 4.877 13.096 2.564 316 HA TYR 40 HA TYR 40 7.795 12.607 3.014 317 HB2 TYR 40 HB2 TYR 40 5.383 11.173 4.179 318 HB3 TYR 40 HB1 TYR 40 7.071 10.902 4.607 319 HD1 TYR 40 HD1 TYR 40 8.389 12.677 5.747 320 HD2 TYR 40 HD2 TYR 40 4.176 13.092 5.021 321 HE1 TYR 40 HE1 TYR 40 8.286 14.521 7.401 322 HE2 TYR 40 HE2 TYR 40 4.074 14.939 6.675 323 HH TYR 40 HH TYR 40 6.245 15.492 8.941 324 H GLN 41 HN GLN 41 8.795 11.130 1.831 325 HA GLN 41 HA GLN 41 7.167 9.205 0.193 326 HB2 GLN 41 HB2 GLN 41 9.710 10.693 -0.524 327 HB3 GLN 41 HB1 GLN 41 9.047 9.359 -1.471 328 HG2 GLN 41 HG2 GLN 41 6.947 10.599 -1.780 329 HG3 GLN 41 HG1 GLN 41 7.579 11.930 -0.810 330 HE21 GLN 41 HE21 GLN 41 6.975 12.923 -3.150 331 HE22 GLN 41 HE22 GLN 41 8.283 13.019 -4.229 332 H GLY 42 HN GLY 42 7.887 7.141 0.053 333 HA2 GLY 42 HA2 GLY 42 10.471 6.266 1.045 334 HA3 GLY 42 HA1 GLY 42 9.188 5.941 2.210 335 H TYR 43 HN TYR 43 10.045 3.708 1.640 336 HA TYR 43 HA TYR 43 8.554 2.593 -0.720 337 HB2 TYR 43 HB2 TYR 43 11.134 1.637 0.557 338 HB3 TYR 43 HB1 TYR 43 10.268 0.797 -0.731 339 HD1 TYR 43 HD1 TYR 43 12.187 3.849 0.131 340 HD2 TYR 43 HD2 TYR 43 10.281 1.606 -2.998 341 HE1 TYR 43 HE1 TYR 43 13.298 5.274 -1.569 342 HE2 TYR 43 HE2 TYR 43 11.392 3.030 -4.696 343 HH TYR 43 HH TYR 43 13.028 4.561 -5.023 344 H ILE 44 HN ILE 44 7.364 0.801 -0.426 345 HA ILE 44 HA ILE 44 7.072 -0.259 2.363 346 HB ILE 44 HB ILE 44 5.122 1.133 1.631 347 HG12 ILE 44 HG12 ILE 44 4.443 -1.814 1.788 348 HG13 ILE 44 HG11 ILE 44 4.962 -0.868 3.183 349 HG21 ILE 44 HG21 ILE 44 4.606 -1.063 -0.385 350 HG22 ILE 44 HG22 ILE 44 5.400 0.449 -0.824 351 HG23 ILE 44 HG23 ILE 44 3.749 0.468 -0.204 352 HD11 ILE 44 HD11 ILE 44 2.504 -0.390 1.475 353 HD12 ILE 44 HD12 ILE 44 3.066 0.719 2.726 354 HD13 ILE 44 HD13 ILE 44 2.541 -0.908 3.161 355 H GLU 45 HN GLU 45 7.131 -2.443 2.533 356 HA GLU 45 HA GLU 45 7.199 -4.041 -0.010 357 HB2 GLU 45 HB2 GLU 45 8.885 -5.490 1.094 358 HB3 GLU 45 HB1 GLU 45 9.463 -3.850 0.840 359 HG2 GLU 45 HG2 GLU 45 8.197 -4.644 3.465 360 HG3 GLU 45 HG1 GLU 45 9.898 -4.970 3.148 361 H ASP 46 HN ASP 46 6.507 -6.190 0.151 362 HA ASP 46 HA ASP 46 5.008 -6.986 2.597 363 HB2 ASP 46 HB2 ASP 46 3.512 -5.760 0.860 364 HB3 ASP 46 HB1 ASP 46 3.718 -7.203 -0.133 365 H ASP 47 HN ASP 47 3.746 -9.186 1.262 366 HA ASP 47 HA ASP 47 5.914 -11.104 1.331 367 HB2 ASP 47 HB2 ASP 47 2.972 -11.328 0.629 368 HB3 ASP 47 HB1 ASP 47 4.063 -12.712 0.641 369 H THR 48 HN THR 48 4.389 -9.229 -1.129 370 HA THR 48 HA THR 48 5.353 -11.002 -3.312 371 HB THR 48 HB THR 48 4.230 -9.322 -4.789 372 HG1 THR 48 HG1 THR 48 2.839 -7.830 -3.605 373 HG21 THR 48 HG21 THR 48 1.891 -9.802 -3.917 374 HG22 THR 48 HG22 THR 48 2.661 -10.557 -2.520 375 HG23 THR 48 HG23 THR 48 2.925 -11.214 -4.136 376 H ALA 49 HN ALA 49 5.347 -7.493 -3.485 377 HA ALA 49 HA ALA 49 8.345 -7.474 -3.572 378 HB1 ALA 49 HB1 ALA 49 8.352 -6.202 -5.597 379 HB2 ALA 49 HB2 ALA 49 6.601 -5.988 -5.554 380 HB3 ALA 49 HB3 ALA 49 7.289 -7.577 -5.890 381 H ARG 50 HN ARG 50 8.139 -4.664 -4.539 382 HA ARG 50 HA ARG 50 6.890 -3.256 -2.258 383 HB2 ARG 50 HB2 ARG 50 8.977 -2.115 -1.654 384 HB3 ARG 50 HB1 ARG 50 9.158 -3.858 -1.474 385 HG2 ARG 50 HG2 ARG 50 10.267 -3.972 -3.685 386 HG3 ARG 50 HG1 ARG 50 10.103 -2.224 -3.856 387 HD2 ARG 50 HD2 ARG 50 11.459 -1.892 -1.816 388 HD3 ARG 50 HD1 ARG 50 11.629 -3.639 -1.653 389 HE ARG 50 HE ARG 50 13.163 -3.640 -3.478 390 HH11 ARG 50 HH21 ARG 50 11.630 -0.563 -3.017 391 HH12 ARG 50 HH22 ARG 50 12.719 0.270 -4.077 392 HH21 ARG 50 HH11 ARG 50 14.571 -2.552 -4.850 393 HH22 ARG 50 HH12 ARG 50 14.374 -0.852 -5.111 394 H ILE 51 HN ILE 51 6.829 -0.944 -2.560 395 HA ILE 51 HA ILE 51 7.555 0.127 -5.215 396 HB ILE 51 HB ILE 51 5.312 -0.898 -5.537 397 HG12 ILE 51 HG12 ILE 51 5.112 2.123 -5.521 398 HG13 ILE 51 HG11 ILE 51 6.116 1.249 -6.678 399 HG21 ILE 51 HG21 ILE 51 3.386 -0.058 -4.352 400 HG22 ILE 51 HG22 ILE 51 4.350 1.178 -3.545 401 HG23 ILE 51 HG23 ILE 51 4.580 -0.525 -3.141 402 HD11 ILE 51 HD11 ILE 51 3.830 1.767 -7.555 403 HD12 ILE 51 HD12 ILE 51 3.152 0.757 -6.279 404 HD13 ILE 51 HD13 ILE 51 4.182 0.040 -7.517 405 H ARG 52 HN ARG 52 7.246 2.437 -5.341 406 HA ARG 52 HA ARG 52 7.939 3.771 -2.845 407 HB2 ARG 52 HB2 ARG 52 8.937 4.325 -5.105 408 HB3 ARG 52 HB1 ARG 52 7.386 5.042 -5.542 409 HG2 ARG 52 HG2 ARG 52 7.548 6.576 -3.612 410 HG3 ARG 52 HG1 ARG 52 9.098 5.861 -3.175 411 HD2 ARG 52 HD2 ARG 52 9.490 7.921 -4.423 412 HD3 ARG 52 HD1 ARG 52 10.001 6.542 -5.394 413 HE ARG 52 HE ARG 52 8.196 6.958 -6.890 414 HH11 ARG 52 HH21 ARG 52 8.026 8.900 -4.021 415 HH12 ARG 52 HH22 ARG 52 6.790 9.936 -4.655 416 HH21 ARG 52 HH11 ARG 52 6.601 8.306 -7.707 417 HH22 ARG 52 HH12 ARG 52 5.988 9.601 -6.733 418 H ILE 53 HN ILE 53 6.768 5.292 -1.759 419 HA ILE 53 HA ILE 53 3.924 5.742 -2.586 420 HB ILE 53 HB ILE 53 3.261 5.535 -0.221 421 HG12 ILE 53 HG12 ILE 53 6.109 4.575 0.243 422 HG13 ILE 53 HG11 ILE 53 5.498 6.147 0.753 423 HG21 ILE 53 HG21 ILE 53 3.371 3.558 -1.868 424 HG22 ILE 53 HG22 ILE 53 3.259 3.165 -0.154 425 HG23 ILE 53 HG23 ILE 53 4.811 3.057 -0.985 426 HD11 ILE 53 HD11 ILE 53 4.692 3.421 1.745 427 HD12 ILE 53 HD12 ILE 53 3.644 4.820 1.973 428 HD13 ILE 53 HD13 ILE 53 5.261 4.805 2.670 429 H SER 54 HN SER 54 2.992 7.662 -1.641 430 HA SER 54 HA SER 54 4.899 9.662 -0.541 431 HB2 SER 54 HB2 SER 54 3.175 10.174 -2.983 432 HB3 SER 54 HB1 SER 54 4.231 11.340 -2.187 433 HG SER 54 HG SER 54 5.811 10.530 -3.289 434 H SER 55 HN SER 55 3.960 10.430 1.209 435 HA SER 55 HA SER 55 0.968 10.609 1.347 436 HB2 SER 55 HB2 SER 55 1.106 10.178 3.623 437 HB3 SER 55 HB1 SER 55 2.461 9.229 3.031 438 HG SER 55 HG SER 55 2.575 11.885 4.042 439 H PHE 56 HN PHE 56 0.021 12.503 1.888 440 HA PHE 56 HA PHE 56 1.750 14.939 1.820 441 HB2 PHE 56 HB2 PHE 56 -1.212 14.543 1.292 442 HB3 PHE 56 HB1 PHE 56 -0.394 16.106 1.268 443 HD1 PHE 56 HD1 PHE 56 1.733 16.279 -0.250 444 HD2 PHE 56 HD2 PHE 56 -1.292 13.260 -0.681 445 HE1 PHE 56 HE1 PHE 56 2.465 15.878 -2.585 446 HE2 PHE 56 HE2 PHE 56 -0.559 12.858 -3.016 447 HZ PHE 56 HZ PHE 56 1.321 14.167 -3.967 448 H GLY 57 HN GLY 57 2.173 15.831 3.703 449 HA2 GLY 57 HA2 GLY 57 1.884 16.783 5.817 450 HA3 GLY 57 HA1 GLY 57 0.147 16.634 5.567 451 H LYS 58 HN LYS 58 0.287 13.725 5.164 452 HA LYS 58 HA LYS 58 -0.095 12.933 7.877 453 HB2 LYS 58 HB2 LYS 58 -1.025 11.926 5.620 454 HB3 LYS 58 HB1 LYS 58 0.419 10.924 5.694 455 HG2 LYS 58 HG2 LYS 58 -1.052 9.590 6.911 456 HG3 LYS 58 HG1 LYS 58 -0.346 10.539 8.214 457 HD2 LYS 58 HD2 LYS 58 -2.234 12.101 8.149 458 HD3 LYS 58 HD1 LYS 58 -2.927 11.240 6.776 459 HE2 LYS 58 HE2 LYS 58 -4.052 10.516 8.797 460 HE3 LYS 58 HE1 LYS 58 -3.060 9.188 8.194 461 HZ1 LYS 58 HZ1 LYS 58 -2.549 10.976 10.487 462 HZ2 LYS 58 HZ2 LYS 58 -1.282 10.123 9.743 463 HZ3 LYS 58 HZ3 LYS 58 -2.578 9.281 10.450 464 H GLN 59 HN GLN 59 1.245 12.174 9.335 465 HA GLN 59 HA GLN 59 4.102 11.963 8.727 466 HB2 GLN 59 HB2 GLN 59 3.309 13.069 10.796 467 HB3 GLN 59 HB1 GLN 59 2.618 11.539 11.340 468 HG2 GLN 59 HG2 GLN 59 4.805 10.496 11.384 469 HG3 GLN 59 HG1 GLN 59 5.544 11.921 10.652 470 HE21 GLN 59 HE21 GLN 59 6.770 11.393 12.934 471 HE22 GLN 59 HE22 GLN 59 6.220 12.337 14.233 472 H LEU 60 HN LEU 60 5.285 10.163 8.655 473 HA LEU 60 HA LEU 60 3.981 7.520 9.210 474 HB2 LEU 60 HB2 LEU 60 5.808 8.222 6.883 475 HB3 LEU 60 HB1 LEU 60 5.217 6.606 7.264 476 HG LEU 60 HG LEU 60 3.448 8.989 6.636 477 HD11 LEU 60 HD11 LEU 60 4.443 6.675 4.967 478 HD12 LEU 60 HD12 LEU 60 4.499 8.397 4.591 479 HD13 LEU 60 HD13 LEU 60 2.959 7.537 4.563 480 HD21 LEU 60 HD21 LEU 60 2.940 6.129 7.437 481 HD22 LEU 60 HD22 LEU 60 1.818 6.905 6.321 482 HD23 LEU 60 HD23 LEU 60 2.085 7.596 7.915 483 H GLN 61 HN GLN 61 5.380 5.911 9.965 484 HA GLN 61 HA GLN 61 7.962 6.946 11.096 485 HB2 GLN 61 HB2 GLN 61 6.141 4.698 12.020 486 HB3 GLN 61 HB1 GLN 61 7.692 5.100 12.755 487 HG2 GLN 61 HG2 GLN 61 5.408 7.071 12.479 488 HG3 GLN 61 HG1 GLN 61 5.711 6.119 13.932 489 HE21 GLN 61 HE21 GLN 61 7.429 6.776 15.318 490 HE22 GLN 61 HE22 GLN 61 8.379 8.153 15.032 491 H ASP 62 HN ASP 62 9.821 5.796 10.820 492 HA ASP 62 HA ASP 62 10.064 4.147 8.483 493 HB2 ASP 62 HB2 ASP 62 12.084 4.391 10.740 494 HB3 ASP 62 HB1 ASP 62 12.403 3.947 9.065 495 H SER 63 HN SER 63 10.152 1.999 8.257 496 HA SER 63 HA SER 63 9.688 -0.233 8.713 497 HB2 SER 63 HB2 SER 63 11.872 -0.396 9.561 498 HB3 SER 63 HB1 SER 63 11.500 0.591 10.971 499 HG SER 63 HG SER 63 11.031 -1.204 11.938 500 H ASP 64 HN ASP 64 7.447 0.292 8.940 501 HA ASP 64 HA ASP 64 6.415 -0.481 11.595 502 HB2 ASP 64 HB2 ASP 64 4.849 1.447 11.684 503 HB3 ASP 64 HB1 ASP 64 6.535 1.938 11.826 504 H VAL 65 HN VAL 65 4.926 -1.964 11.225 505 HA VAL 65 HA VAL 65 3.763 -2.409 8.602 506 HB VAL 65 HB VAL 65 2.366 -4.126 9.985 507 HG11 VAL 65 HG11 VAL 65 4.152 -4.890 8.605 508 HG12 VAL 65 HG12 VAL 65 4.438 -5.593 10.197 509 HG13 VAL 65 HG13 VAL 65 5.371 -4.193 9.672 510 HG21 VAL 65 HG21 VAL 65 2.973 -2.856 12.156 511 HG22 VAL 65 HG22 VAL 65 4.561 -3.609 12.005 512 HG23 VAL 65 HG23 VAL 65 3.123 -4.612 12.185 513 H VAL 66 HN VAL 66 2.107 -1.339 7.812 514 HA VAL 66 HA VAL 66 -0.127 -0.539 9.618 515 HB VAL 66 HB VAL 66 -0.216 1.687 8.605 516 HG11 VAL 66 HG11 VAL 66 2.592 1.118 9.591 517 HG12 VAL 66 HG12 VAL 66 1.189 1.238 10.648 518 HG13 VAL 66 HG13 VAL 66 1.707 2.638 9.714 519 HG21 VAL 66 HG21 VAL 66 2.227 0.716 7.093 520 HG22 VAL 66 HG22 VAL 66 1.790 2.418 7.231 521 HG23 VAL 66 HG23 VAL 66 0.704 1.295 6.417 522 H ARG 67 HN ARG 67 -2.005 0.200 8.337 523 HA ARG 67 HA ARG 67 -2.272 -1.361 5.788 524 HB2 ARG 67 HB2 ARG 67 -3.698 -2.310 7.485 525 HB3 ARG 67 HB1 ARG 67 -4.299 -0.718 7.951 526 HG2 ARG 67 HG2 ARG 67 -5.443 -0.438 5.861 527 HG3 ARG 67 HG1 ARG 67 -4.659 -1.849 5.164 528 HD2 ARG 67 HD2 ARG 67 -6.521 -1.945 7.554 529 HD3 ARG 67 HD1 ARG 67 -7.027 -2.260 5.892 530 HE ARG 67 HE ARG 67 -4.842 -3.965 6.358 531 HH11 ARG 67 HH21 ARG 67 -7.996 -3.369 7.680 532 HH12 ARG 67 HH22 ARG 67 -8.227 -5.013 8.178 533 HH21 ARG 67 HH11 ARG 67 -5.152 -6.098 7.009 534 HH22 ARG 67 HH12 ARG 67 -6.626 -6.547 7.800 535 H ILE 68 HN ILE 68 -2.616 -0.190 4.031 536 HA ILE 68 HA ILE 68 -3.438 2.678 4.315 537 HB ILE 68 HB ILE 68 -1.965 1.217 2.099 538 HG12 ILE 68 HG12 ILE 68 -1.104 3.536 3.856 539 HG13 ILE 68 HG11 ILE 68 -0.712 1.854 4.208 540 HG21 ILE 68 HG21 ILE 68 -3.112 4.008 2.267 541 HG22 ILE 68 HG22 ILE 68 -3.340 2.803 0.999 542 HG23 ILE 68 HG23 ILE 68 -1.782 3.610 1.177 543 HD11 ILE 68 HD11 ILE 68 0.335 1.721 1.898 544 HD12 ILE 68 HD12 ILE 68 1.173 2.778 3.035 545 HD13 ILE 68 HD13 ILE 68 0.134 3.470 1.790 546 H ASP 69 HN ASP 69 -5.474 3.062 3.889 547 HA ASP 69 HA ASP 69 -6.903 1.423 1.827 548 HB2 ASP 69 HB2 ASP 69 -7.913 2.572 4.432 549 HB3 ASP 69 HB1 ASP 69 -8.977 1.969 3.162 550 H ASN 70 HN ASN 70 -8.376 2.500 0.543 551 HA ASN 70 HA ASN 70 -9.191 4.235 -0.770 552 HB2 ASN 70 HB2 ASN 70 -10.066 4.917 1.512 553 HB3 ASN 70 HB1 ASN 70 -8.685 6.007 1.627 554 HD21 ASN 70 HD21 ASN 70 -11.447 6.912 1.505 555 HD22 ASN 70 HD22 ASN 70 -11.632 7.792 0.067 556 H ALA 71 HN ALA 71 -6.403 3.591 -0.902 557 HA ALA 71 HA ALA 71 -5.020 6.208 -1.197 558 HB1 ALA 71 HB1 ALA 71 -4.179 3.327 -1.173 559 HB2 ALA 71 HB2 ALA 71 -3.500 4.702 -0.300 560 HB3 ALA 71 HB3 ALA 71 -3.151 4.491 -2.013 561 H ARG 72 HN ARG 72 -4.283 6.970 -3.171 562 HA ARG 72 HA ARG 72 -5.697 5.859 -5.548 563 HB2 ARG 72 HB2 ARG 72 -5.485 8.043 -6.530 564 HB3 ARG 72 HB1 ARG 72 -6.079 8.256 -4.885 565 HG2 ARG 72 HG2 ARG 72 -3.682 8.633 -4.172 566 HG3 ARG 72 HG1 ARG 72 -3.243 8.651 -5.877 567 HD2 ARG 72 HD2 ARG 72 -4.808 10.515 -6.276 568 HD3 ARG 72 HD1 ARG 72 -5.246 10.505 -4.569 569 HE ARG 72 HE ARG 72 -3.141 11.494 -4.040 570 HH11 ARG 72 HH21 ARG 72 -3.387 10.567 -7.376 571 HH12 ARG 72 HH22 ARG 72 -1.984 11.468 -7.850 572 HH21 ARG 72 HH11 ARG 72 -1.328 12.658 -4.662 573 HH22 ARG 72 HH12 ARG 72 -0.823 12.646 -6.320 574 H VAL 73 HN VAL 73 -4.639 5.659 -7.509 575 HA VAL 73 HA VAL 73 -1.718 5.068 -7.270 576 HB VAL 73 HB VAL 73 -3.816 4.218 -9.291 577 HG11 VAL 73 HG11 VAL 73 -0.813 3.856 -9.239 578 HG12 VAL 73 HG12 VAL 73 -1.807 4.487 -10.552 579 HG13 VAL 73 HG13 VAL 73 -1.869 2.772 -10.144 580 HG21 VAL 73 HG21 VAL 73 -3.782 3.081 -7.050 581 HG22 VAL 73 HG22 VAL 73 -2.110 2.612 -7.361 582 HG23 VAL 73 HG23 VAL 73 -3.405 1.994 -8.387 583 H ALA 74 HN ALA 74 -0.260 6.257 -8.323 584 HA ALA 74 HA ALA 74 -1.086 7.990 -10.594 585 HB1 ALA 74 HB1 ALA 74 0.248 9.879 -9.527 586 HB2 ALA 74 HB2 ALA 74 0.176 8.957 -8.023 587 HB3 ALA 74 HB3 ALA 74 -1.310 9.526 -8.784 588 H GLN 75 HN GLN 75 0.676 8.699 -11.866 589 HA GLN 75 HA GLN 75 3.158 7.036 -11.563 590 HB2 GLN 75 HB2 GLN 75 1.795 6.533 -13.578 591 HB3 GLN 75 HB1 GLN 75 1.938 8.217 -14.083 592 HG2 GLN 75 HG2 GLN 75 4.358 8.017 -14.234 593 HG3 GLN 75 HG1 GLN 75 4.297 6.379 -13.582 594 HE21 GLN 75 HE21 GLN 75 4.476 4.828 -15.190 595 HE22 GLN 75 HE22 GLN 75 3.906 4.990 -16.780 596 H PHE 76 HN PHE 76 4.853 8.169 -10.961 597 HA PHE 76 HA PHE 76 5.109 11.041 -11.812 598 HB2 PHE 76 HB2 PHE 76 5.873 9.696 -9.209 599 HB3 PHE 76 HB1 PHE 76 6.497 11.274 -9.694 600 HD1 PHE 76 HD2 PHE 76 4.775 13.082 -10.359 601 HD2 PHE 76 HD1 PHE 76 3.764 9.534 -8.159 602 HE1 PHE 76 HE2 PHE 76 2.691 14.167 -9.566 603 HE2 PHE 76 HE1 PHE 76 1.681 10.621 -7.367 604 HZ PHE 76 HZ PHE 76 1.144 12.936 -8.070 605 H ASN 77 HN ASN 77 6.895 11.535 -12.866 606 HA ASN 77 HA ASN 77 8.929 11.338 -13.976 607 HB2 ASN 77 HB2 ASN 77 9.763 11.379 -11.637 608 HB3 ASN 77 HB1 ASN 77 9.674 9.621 -11.596 609 HD21 ASN 77 HD21 ASN 77 11.275 12.341 -13.294 610 HD22 ASN 77 HD22 ASN 77 12.623 11.441 -13.800 611 H GLY 78 HN GLY 78 6.757 9.260 -14.273 612 HA2 GLY 78 HA2 GLY 78 6.568 7.548 -15.906 613 HA3 GLY 78 HA1 GLY 78 8.327 7.433 -15.964 614 H TYR 79 HN TYR 79 7.303 7.440 -12.765 615 HA TYR 79 HA TYR 79 7.367 4.433 -12.666 616 HB2 TYR 79 HB2 TYR 79 8.450 6.451 -10.678 617 HB3 TYR 79 HB1 TYR 79 8.360 4.714 -10.395 618 HD1 TYR 79 HD1 TYR 79 9.658 3.134 -11.863 619 HD2 TYR 79 HD2 TYR 79 10.167 7.394 -12.067 620 HE1 TYR 79 HE1 TYR 79 11.807 2.823 -13.064 621 HE2 TYR 79 HE2 TYR 79 12.313 7.080 -13.268 622 HH TYR 79 HH TYR 79 13.608 5.584 -14.356 623 H LEU 80 HN LEU 80 5.818 3.423 -11.604 624 HA LEU 80 HA LEU 80 3.417 4.857 -10.819 625 HB2 LEU 80 HB2 LEU 80 4.128 1.925 -10.467 626 HB3 LEU 80 HB1 LEU 80 2.514 2.625 -10.358 627 HG LEU 80 HG LEU 80 4.271 2.671 -12.828 628 HD11 LEU 80 HD11 LEU 80 1.829 1.030 -12.099 629 HD12 LEU 80 HD12 LEU 80 3.453 0.423 -12.425 630 HD13 LEU 80 HD13 LEU 80 2.498 1.133 -13.727 631 HD21 LEU 80 HD21 LEU 80 1.580 3.844 -12.139 632 HD22 LEU 80 HD22 LEU 80 1.902 3.335 -13.797 633 HD23 LEU 80 HD23 LEU 80 2.913 4.561 -13.043 634 H SER 81 HN SER 81 2.567 5.102 -8.801 635 HA SER 81 HA SER 81 3.936 4.048 -6.433 636 HB2 SER 81 HB2 SER 81 4.450 6.222 -5.467 637 HB3 SER 81 HB1 SER 81 5.268 6.071 -7.018 638 HG SER 81 HG SER 81 3.318 7.804 -6.213 639 H LEU 82 HN LEU 82 2.760 4.558 -4.469 640 HA LEU 82 HA LEU 82 -0.156 5.001 -4.999 641 HB2 LEU 82 HB2 LEU 82 1.160 3.745 -2.569 642 HB3 LEU 82 HB1 LEU 82 -0.556 3.755 -2.962 643 HG LEU 82 HG LEU 82 1.599 2.420 -4.632 644 HD11 LEU 82 HD11 LEU 82 1.042 1.374 -2.368 645 HD12 LEU 82 HD12 LEU 82 0.796 0.335 -3.772 646 HD13 LEU 82 HD13 LEU 82 -0.585 1.110 -2.996 647 HD21 LEU 82 HD21 LEU 82 -1.394 2.731 -4.913 648 HD22 LEU 82 HD22 LEU 82 -0.565 1.348 -5.629 649 HD23 LEU 82 HD23 LEU 82 -0.140 2.983 -6.128 650 H SER 83 HN SER 83 -0.640 7.058 -4.690 651 HA SER 83 HA SER 83 0.722 8.685 -2.638 652 HB2 SER 83 HB2 SER 83 -1.243 9.280 -4.848 653 HB3 SER 83 HB1 SER 83 -0.891 10.471 -3.598 654 HG SER 83 HG SER 83 1.232 10.464 -4.208 655 H VAL 84 HN VAL 84 -0.220 9.439 -0.822 656 HA VAL 84 HA VAL 84 -2.990 8.477 -0.167 657 HB VAL 84 HB VAL 84 -0.643 8.789 1.732 658 HG11 VAL 84 HG11 VAL 84 -3.416 7.606 2.056 659 HG12 VAL 84 HG12 VAL 84 -2.855 9.123 2.762 660 HG13 VAL 84 HG13 VAL 84 -2.155 7.594 3.284 661 HG21 VAL 84 HG21 VAL 84 -0.823 6.252 1.796 662 HG22 VAL 84 HG22 VAL 84 -0.185 6.914 0.291 663 HG23 VAL 84 HG23 VAL 84 -1.860 6.368 0.375 664 H GLY 85 HN GLY 85 -4.356 10.029 0.302 665 HA2 GLY 85 HA2 GLY 85 -3.373 12.802 0.780 666 HA3 GLY 85 HA1 GLY 85 -4.995 12.358 0.252 667 H ASP 86 HN ASP 86 -4.899 14.079 2.262 668 HA ASP 86 HA ASP 86 -4.790 12.933 4.910 669 HB2 ASP 86 HB2 ASP 86 -6.060 15.461 3.805 670 HB3 ASP 86 HB1 ASP 86 -6.087 15.045 5.519 671 H SER 87 HN SER 87 -7.087 12.873 2.374 672 HA SER 87 HA SER 87 -9.422 12.358 4.089 673 HB2 SER 87 HB2 SER 87 -9.034 12.164 1.080 674 HB3 SER 87 HB1 SER 87 -10.575 11.964 1.909 675 HG SER 87 HG SER 87 -8.923 14.261 1.756 676 H SER 88 HN SER 88 -6.770 10.607 3.064 677 HA SER 88 HA SER 88 -8.040 8.038 2.555 678 HB2 SER 88 HB2 SER 88 -5.867 7.194 2.288 679 HB3 SER 88 HB1 SER 88 -5.679 8.878 1.808 680 HG SER 88 HG SER 88 -5.377 8.255 4.513 681 H ARG 89 HN ARG 89 -7.409 6.124 3.919 682 HA ARG 89 HA ARG 89 -7.559 6.813 6.848 683 HB2 ARG 89 HB2 ARG 89 -9.696 5.924 5.942 684 HB3 ARG 89 HB1 ARG 89 -8.849 4.467 5.425 685 HG2 ARG 89 HG2 ARG 89 -8.201 3.995 7.750 686 HG3 ARG 89 HG1 ARG 89 -9.003 5.474 8.280 687 HD2 ARG 89 HD2 ARG 89 -11.151 4.572 7.342 688 HD3 ARG 89 HD1 ARG 89 -10.315 3.057 7.000 689 HE ARG 89 HE ARG 89 -9.900 3.697 9.745 690 HH11 ARG 89 HH21 ARG 89 -12.415 2.802 7.527 691 HH12 ARG 89 HH22 ARG 89 -13.356 1.992 8.737 692 HH21 ARG 89 HH11 ARG 89 -11.124 2.641 11.308 693 HH22 ARG 89 HH12 ARG 89 -12.628 1.901 10.867 694 H ILE 90 HN ILE 90 -5.900 6.108 7.947 695 HA ILE 90 HA ILE 90 -4.403 3.677 7.016 696 HB ILE 90 HB ILE 90 -3.305 6.210 8.269 697 HG12 ILE 90 HG12 ILE 90 -2.694 4.938 5.587 698 HG13 ILE 90 HG11 ILE 90 -3.898 6.208 5.791 699 HG21 ILE 90 HG21 ILE 90 -2.084 3.513 7.656 700 HG22 ILE 90 HG22 ILE 90 -2.039 4.412 9.173 701 HG23 ILE 90 HG23 ILE 90 -1.098 4.969 7.788 702 HD11 ILE 90 HD11 ILE 90 -2.325 7.833 6.103 703 HD12 ILE 90 HD12 ILE 90 -1.285 6.705 5.237 704 HD13 ILE 90 HD13 ILE 90 -1.232 6.773 6.994 705 H GLU 91 HN GLU 91 -4.283 2.114 8.468 706 HA GLU 91 HA GLU 91 -4.732 2.748 11.372 707 HB2 GLU 91 HB2 GLU 91 -5.803 0.421 9.746 708 HB3 GLU 91 HB1 GLU 91 -5.864 0.510 11.507 709 HG2 GLU 91 HG2 GLU 91 -7.183 2.565 11.393 710 HG3 GLU 91 HG1 GLU 91 -7.071 2.567 9.634 711 H SER 92 HN SER 92 -3.068 2.187 12.564 712 HA SER 92 HA SER 92 -0.850 0.623 11.543 713 HB2 SER 92 HB2 SER 92 -0.481 2.470 13.130 714 HB3 SER 92 HB1 SER 92 -1.439 1.630 14.346 715 HG SER 92 HG SER 92 0.903 0.606 13.106 716 H VAL 93 HN VAL 93 -0.233 -1.439 12.104 717 HA VAL 93 HA VAL 93 -2.306 -3.085 13.545 718 HB VAL 93 HB VAL 93 -1.250 -4.995 12.200 719 HG11 VAL 93 HG11 VAL 93 -2.548 -4.317 10.132 720 HG12 VAL 93 HG12 VAL 93 -2.781 -2.738 10.884 721 HG13 VAL 93 HG13 VAL 93 -3.444 -4.185 11.646 722 HG21 VAL 93 HG21 VAL 93 0.754 -3.488 11.549 723 HG22 VAL 93 HG22 VAL 93 -0.337 -2.762 10.369 724 HG23 VAL 93 HG23 VAL 93 0.044 -4.482 10.277 725 H ASN 94 HN ASN 94 -1.709 -4.138 15.290 726 HA ASN 94 HA ASN 94 0.927 -3.764 16.446 727 HB2 ASN 94 HB2 ASN 94 -1.294 -3.911 17.714 728 HB3 ASN 94 HB1 ASN 94 -1.230 -5.651 17.429 729 HD21 ASN 94 HD21 ASN 94 0.954 -3.038 18.644 730 HD22 ASN 94 HD22 ASN 94 1.640 -3.985 19.875 731 H VAL 95 HN VAL 95 2.118 -5.650 17.344 732 HA VAL 95 HA VAL 95 3.468 -7.504 16.947 733 HB VAL 95 HB VAL 95 0.904 -8.676 15.824 734 HG11 VAL 95 HG11 VAL 95 2.052 -10.800 16.750 735 HG12 VAL 95 HG12 VAL 95 3.525 -9.834 16.795 736 HG13 VAL 95 HG13 VAL 95 2.709 -10.126 15.262 737 HG21 VAL 95 HG21 VAL 95 0.794 -9.655 18.201 738 HG22 VAL 95 HG22 VAL 95 0.373 -7.952 18.027 739 HG23 VAL 95 HG23 VAL 95 1.961 -8.409 18.645 740 H ASN 96 HN ASN 96 1.646 -8.673 14.284 741 HA ASN 96 HA ASN 96 3.063 -7.216 12.211 742 HB2 ASN 96 HB2 ASN 96 4.825 -8.770 13.085 743 HB3 ASN 96 HB1 ASN 96 3.792 -10.130 12.643 744 HD21 ASN 96 HD21 ASN 96 5.932 -7.645 11.390 745 HD22 ASN 96 HD22 ASN 96 5.897 -8.156 9.771 746 H ILE 97 HN ILE 97 0.924 -6.938 11.498 747 HA ILE 97 HA ILE 97 -1.053 -7.444 10.355 748 HB ILE 97 HB ILE 97 0.690 -9.599 9.127 749 HG12 ILE 97 HG12 ILE 97 0.289 -6.727 8.218 750 HG13 ILE 97 HG11 ILE 97 1.704 -7.279 9.114 751 HG21 ILE 97 HG21 ILE 97 -1.757 -8.098 8.142 752 HG22 ILE 97 HG22 ILE 97 -1.687 -9.806 8.577 753 HG23 ILE 97 HG23 ILE 97 -0.803 -9.217 7.168 754 HD11 ILE 97 HD11 ILE 97 2.156 -7.275 6.690 755 HD12 ILE 97 HD12 ILE 97 0.785 -8.355 6.429 756 HD13 ILE 97 HD13 ILE 97 2.194 -8.919 7.329 757 HA PRO 98 HA PRO 98 -1.993 -10.907 13.313 758 HB2 PRO 98 HB2 PRO 98 -4.453 -9.250 13.663 759 HB3 PRO 98 HB1 PRO 98 -3.386 -9.959 14.894 760 HG2 PRO 98 HG2 PRO 98 -3.380 -7.333 14.380 761 HG3 PRO 98 HG1 PRO 98 -1.891 -8.203 14.798 762 HD2 PRO 98 HD2 PRO 98 -2.826 -7.261 12.102 763 HD3 PRO 98 HD1 PRO 98 -1.179 -7.287 12.779 764 H LEU 99 HN LEU 99 -3.400 -12.611 12.970 765 HA LEU 99 HA LEU 99 -4.450 -12.945 10.349 766 HB2 LEU 99 HB2 LEU 99 -3.728 -14.861 11.704 767 HB3 LEU 99 HB1 LEU 99 -5.002 -14.536 12.879 768 HG LEU 99 HG LEU 99 -6.720 -14.973 11.177 769 HD11 LEU 99 HD11 LEU 99 -5.733 -16.041 8.969 770 HD12 LEU 99 HD12 LEU 99 -4.305 -15.092 9.380 771 HD13 LEU 99 HD13 LEU 99 -5.855 -14.291 9.118 772 HD21 LEU 99 HD21 LEU 99 -4.602 -17.140 11.234 773 HD22 LEU 99 HD22 LEU 99 -6.303 -17.370 10.835 774 HD23 LEU 99 HD23 LEU 99 -5.838 -16.885 12.466 775 H GLU 100 HN GLU 100 -6.389 -12.541 9.513 776 HA GLU 100 HA GLU 100 -8.290 -10.895 10.893 777 HB2 GLU 100 HB2 GLU 100 -8.454 -12.422 8.275 778 HB3 GLU 100 HB1 GLU 100 -9.698 -11.303 8.836 779 HG2 GLU 100 HG2 GLU 100 -8.072 -9.475 8.900 780 HG3 GLU 100 HG1 GLU 100 -6.780 -10.578 8.431 781 H HIS 101 HN HIS 101 -10.084 -11.419 11.999 782 HA HIS 101 HA HIS 101 -11.273 -14.112 11.802 783 HB2 HIS 101 HB2 HIS 101 -9.421 -14.245 13.524 784 HB3 HIS 101 HB1 HIS 101 -10.325 -13.073 14.486 785 HD1 HIS 101 HD1 HIS 101 -10.812 -16.496 12.893 786 HD2 HIS 101 HD2 HIS 101 -12.343 -14.212 16.025 787 HE1 HIS 101 HE1 HIS 101 -12.422 -17.993 14.148 788 H HIS 102 HN HIS 102 -13.412 -13.999 12.064 789 HA HIS 102 HA HIS 102 -14.644 -11.813 13.642 790 HB2 HIS 102 HB2 HIS 102 -15.115 -12.264 10.683 791 HB3 HIS 102 HB1 HIS 102 -16.244 -11.379 11.711 792 HD1 HIS 102 HD1 HIS 102 -12.721 -11.191 10.345 793 HD2 HIS 102 HD2 HIS 102 -15.408 -8.790 12.444 794 HE1 HIS 102 HE1 HIS 102 -11.713 -8.865 10.405 795 H HIS 103 HN HIS 103 -15.330 -13.423 15.055 796 HA HIS 103 HA HIS 103 -17.764 -14.842 14.228 797 HB2 HIS 103 HB2 HIS 103 -16.005 -16.470 13.651 798 HB3 HIS 103 HB1 HIS 103 -15.374 -16.373 15.295 799 HD1 HIS 103 HD1 HIS 103 -18.656 -17.216 13.541 800 HD2 HIS 103 HD2 HIS 103 -16.579 -18.163 17.030 801 HE1 HIS 103 HE1 HIS 103 -20.013 -19.000 14.721 802 H HIS 104 HN HIS 104 -18.794 -15.887 16.122 803 HA HIS 104 HA HIS 104 -19.773 -15.575 18.219 804 HB2 HIS 104 HB2 HIS 104 -17.868 -16.982 18.824 805 HB3 HIS 104 HB1 HIS 104 -16.841 -15.556 18.983 806 HD1 HIS 104 HD1 HIS 104 -20.025 -17.009 20.498 807 HD2 HIS 104 HD2 HIS 104 -16.940 -14.390 21.498 808 HE1 HIS 104 HE1 HIS 104 -20.378 -16.380 22.927 809 H HIS 105 HN HIS 105 -20.594 -13.491 17.667 810 HA HIS 105 HA HIS 105 -20.970 -11.222 18.035 811 HB2 HIS 105 HB2 HIS 105 -21.009 -11.962 20.374 812 HB3 HIS 105 HB1 HIS 105 -19.258 -11.783 20.473 813 HD1 HIS 105 HD1 HIS 105 -22.367 -9.669 19.847 814 HD2 HIS 105 HD2 HIS 105 -18.412 -9.209 21.084 815 HE1 HIS 105 HE1 HIS 105 -22.112 -7.248 20.549 816 H HIS 106 HN HIS 106 -20.002 -9.135 17.914 817 HA HIS 106 HA HIS 106 -17.164 -8.705 17.806 818 HB2 HIS 106 HB2 HIS 106 -16.891 -8.407 15.393 819 HB3 HIS 106 HB1 HIS 106 -17.412 -10.055 15.735 820 HD1 HIS 106 HD1 HIS 106 -20.103 -10.467 15.452 821 HD2 HIS 106 HD2 HIS 106 -18.545 -7.058 13.625 822 HE1 HIS 106 HE1 HIS 106 -21.830 -9.705 13.762 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 -13.147 1.021 -1.187 2 H2 SER 1 HT2 SER 1 -13.554 -0.629 -1.199 3 H3 SER 1 HT3 SER 1 -13.711 0.299 -2.615 4 HA SER 1 HA SER 1 -11.504 0.266 -3.080 5 HB2 SER 1 HB2 SER 1 -10.909 -0.267 -0.158 6 HB3 SER 1 HB1 SER 1 -9.768 0.218 -1.410 7 HG SER 1 HG SER 1 -10.976 2.176 -1.587 8 H ASP 2 HN ASP 2 -9.636 -1.624 -2.135 9 HA ASP 2 HA ASP 2 -10.833 -4.191 -1.617 10 HB2 ASP 2 HB2 ASP 2 -11.613 -3.877 -3.956 11 HB3 ASP 2 HB1 ASP 2 -9.935 -3.696 -4.472 12 H LEU 3 HN LEU 3 -9.242 -5.511 -0.845 13 HA LEU 3 HA LEU 3 -6.534 -4.529 -0.657 14 HB2 LEU 3 HB2 LEU 3 -7.521 -5.907 1.109 15 HB3 LEU 3 HB1 LEU 3 -7.728 -7.241 -0.023 16 HG LEU 3 HG LEU 3 -5.304 -7.435 -0.294 17 HD11 LEU 3 HD11 LEU 3 -3.928 -6.016 1.439 18 HD12 LEU 3 HD12 LEU 3 -5.317 -4.930 1.385 19 HD13 LEU 3 HD13 LEU 3 -4.407 -5.277 -0.086 20 HD21 LEU 3 HD21 LEU 3 -5.981 -7.219 2.648 21 HD22 LEU 3 HD22 LEU 3 -4.801 -8.295 1.897 22 HD23 LEU 3 HD23 LEU 3 -6.524 -8.545 1.619 23 H VAL 4 HN VAL 4 -4.903 -4.814 -2.086 24 HA VAL 4 HA VAL 4 -4.969 -7.155 -3.934 25 HB VAL 4 HB VAL 4 -4.285 -5.667 -5.815 26 HG11 VAL 4 HG11 VAL 4 -6.513 -4.871 -6.287 27 HG12 VAL 4 HG12 VAL 4 -6.913 -4.813 -4.571 28 HG13 VAL 4 HG13 VAL 4 -6.673 -6.368 -5.369 29 HG21 VAL 4 HG21 VAL 4 -4.876 -3.524 -3.754 30 HG22 VAL 4 HG22 VAL 4 -4.814 -3.200 -5.486 31 HG23 VAL 4 HG23 VAL 4 -3.374 -3.773 -4.644 32 H LYS 5 HN LYS 5 -2.825 -7.520 -4.943 33 HA LYS 5 HA LYS 5 -0.713 -7.199 -2.959 34 HB2 LYS 5 HB2 LYS 5 -0.760 -8.427 -5.726 35 HB3 LYS 5 HB1 LYS 5 0.651 -8.451 -4.667 36 HG2 LYS 5 HG2 LYS 5 -0.635 -9.635 -2.944 37 HG3 LYS 5 HG1 LYS 5 -2.075 -9.582 -3.963 38 HD2 LYS 5 HD2 LYS 5 -0.973 -10.938 -5.662 39 HD3 LYS 5 HD1 LYS 5 0.528 -10.922 -4.742 40 HE2 LYS 5 HE2 LYS 5 -0.656 -13.027 -4.347 41 HE3 LYS 5 HE1 LYS 5 -0.631 -12.067 -2.867 42 HZ1 LYS 5 HZ1 LYS 5 -2.827 -12.981 -3.303 43 HZ2 LYS 5 HZ2 LYS 5 -2.878 -12.189 -4.806 44 HZ3 LYS 5 HZ3 LYS 5 -2.854 -11.286 -3.367 45 H ILE 6 HN ILE 6 1.332 -6.165 -3.354 46 HA ILE 6 HA ILE 6 1.144 -3.572 -4.534 47 HB ILE 6 HB ILE 6 3.555 -5.226 -3.740 48 HG12 ILE 6 HG12 ILE 6 2.236 -2.855 -2.381 49 HG13 ILE 6 HG11 ILE 6 1.892 -4.532 -1.963 50 HG21 ILE 6 HG21 ILE 6 3.302 -2.361 -4.676 51 HG22 ILE 6 HG22 ILE 6 4.367 -3.617 -5.306 52 HG23 ILE 6 HG23 ILE 6 4.674 -2.917 -3.719 53 HD11 ILE 6 HD11 ILE 6 4.512 -3.050 -1.689 54 HD12 ILE 6 HD12 ILE 6 4.418 -4.806 -1.616 55 HD13 ILE 6 HD13 ILE 6 3.567 -3.828 -0.421 56 H ARG 7 HN ARG 7 2.634 -6.591 -5.699 57 HA ARG 7 HA ARG 7 3.681 -5.474 -8.129 58 HB2 ARG 7 HB2 ARG 7 4.315 -7.696 -7.046 59 HB3 ARG 7 HB1 ARG 7 2.828 -8.349 -7.737 60 HG2 ARG 7 HG2 ARG 7 3.583 -7.699 -9.992 61 HG3 ARG 7 HG1 ARG 7 5.066 -7.035 -9.305 62 HD2 ARG 7 HD2 ARG 7 5.565 -9.308 -8.358 63 HD3 ARG 7 HD1 ARG 7 4.172 -9.931 -9.239 64 HE ARG 7 HE ARG 7 6.744 -9.100 -10.416 65 HH11 ARG 7 HH21 ARG 7 3.398 -9.853 -10.847 66 HH12 ARG 7 HH22 ARG 7 3.572 -10.244 -12.525 67 HH21 ARG 7 HH11 ARG 7 6.977 -9.602 -12.602 68 HH22 ARG 7 HH12 ARG 7 5.594 -10.100 -13.518 69 H ASP 8 HN ASP 8 0.480 -6.341 -7.187 70 HA ASP 8 HA ASP 8 -0.459 -6.629 -9.985 71 HB2 ASP 8 HB2 ASP 8 -1.885 -6.768 -7.315 72 HB3 ASP 8 HB1 ASP 8 -2.696 -6.947 -8.872 73 H VAL 9 HN VAL 9 0.351 -4.071 -8.101 74 HA VAL 9 HA VAL 9 -1.927 -2.337 -8.329 75 HB VAL 9 HB VAL 9 1.028 -1.749 -8.032 76 HG11 VAL 9 HG11 VAL 9 0.089 0.238 -8.956 77 HG12 VAL 9 HG12 VAL 9 0.118 0.509 -7.214 78 HG13 VAL 9 HG13 VAL 9 -1.391 0.065 -8.013 79 HG21 VAL 9 HG21 VAL 9 0.559 -1.553 -5.711 80 HG22 VAL 9 HG22 VAL 9 -0.326 -2.993 -6.217 81 HG23 VAL 9 HG23 VAL 9 -1.181 -1.468 -5.987 82 H SER 10 HN SER 10 -2.626 -1.109 -9.999 83 HA SER 10 HA SER 10 -0.865 -0.383 -12.222 84 HB2 SER 10 HB2 SER 10 -2.406 -1.446 -13.919 85 HB3 SER 10 HB1 SER 10 -1.451 -2.590 -12.983 86 HG SER 10 HG SER 10 -3.225 -3.059 -11.762 87 H LEU 11 HN LEU 11 -2.079 0.986 -13.815 88 HA LEU 11 HA LEU 11 -3.657 2.961 -12.468 89 HB2 LEU 11 HB2 LEU 11 -3.480 2.462 -15.452 90 HB3 LEU 11 HB1 LEU 11 -3.909 3.977 -14.657 91 HG LEU 11 HG LEU 11 -1.237 2.564 -14.416 92 HD11 LEU 11 HD11 LEU 11 -1.842 5.203 -15.761 93 HD12 LEU 11 HD12 LEU 11 -1.814 3.674 -16.641 94 HD13 LEU 11 HD13 LEU 11 -0.354 4.259 -15.843 95 HD21 LEU 11 HD21 LEU 11 -2.414 5.042 -13.156 96 HD22 LEU 11 HD22 LEU 11 -0.675 4.932 -13.428 97 HD23 LEU 11 HD23 LEU 11 -1.480 3.751 -12.400 98 H SER 12 HN SER 12 -4.457 -0.010 -14.045 99 HA SER 12 HA SER 12 -7.154 0.465 -14.786 100 HB2 SER 12 HB2 SER 12 -5.901 -1.606 -15.353 101 HB3 SER 12 HB1 SER 12 -5.944 -2.082 -13.657 102 HG SER 12 HG SER 12 -8.396 -1.384 -14.611 103 H THR 13 HN THR 13 -5.677 0.319 -11.693 104 HA THR 13 HA THR 13 -8.378 0.289 -10.374 105 HB THR 13 HB THR 13 -7.422 -0.899 -8.512 106 HG1 THR 13 HG1 THR 13 -5.395 -0.138 -8.342 107 HG21 THR 13 HG21 THR 13 -6.776 -3.005 -9.575 108 HG22 THR 13 HG22 THR 13 -6.439 -2.158 -11.083 109 HG23 THR 13 HG23 THR 13 -8.092 -2.254 -10.477 110 HA PRO 14 HA PRO 14 -6.230 4.392 -9.706 111 HB2 PRO 14 HB2 PRO 14 -9.127 5.043 -9.248 112 HB3 PRO 14 HB1 PRO 14 -7.898 5.950 -10.154 113 HG2 PRO 14 HG2 PRO 14 -9.770 4.547 -11.417 114 HG3 PRO 14 HG1 PRO 14 -8.105 4.612 -12.030 115 HD2 PRO 14 HD2 PRO 14 -9.496 2.375 -10.596 116 HD3 PRO 14 HD1 PRO 14 -8.268 2.303 -11.879 117 H TYR 15 HN TYR 15 -8.862 2.859 -7.869 118 HA TYR 15 HA TYR 15 -7.651 3.892 -5.325 119 HB2 TYR 15 HB2 TYR 15 -10.498 3.091 -5.970 120 HB3 TYR 15 HB1 TYR 15 -9.922 3.535 -4.363 121 HD1 TYR 15 HD1 TYR 15 -8.794 5.829 -4.080 122 HD2 TYR 15 HD2 TYR 15 -11.147 4.764 -7.512 123 HE1 TYR 15 HE1 TYR 15 -9.068 8.230 -4.637 124 HE2 TYR 15 HE2 TYR 15 -11.423 7.164 -8.068 125 HH TYR 15 HH TYR 15 -9.548 9.595 -6.689 126 H VAL 16 HN VAL 16 -6.851 2.371 -3.952 127 HA VAL 16 HA VAL 16 -7.921 -0.390 -4.020 128 HB VAL 16 HB VAL 16 -5.626 -1.357 -4.288 129 HG11 VAL 16 HG11 VAL 16 -7.315 -1.043 -6.181 130 HG12 VAL 16 HG12 VAL 16 -5.630 -1.234 -6.671 131 HG13 VAL 16 HG13 VAL 16 -6.368 0.368 -6.657 132 HG21 VAL 16 HG21 VAL 16 -3.940 0.194 -5.391 133 HG22 VAL 16 HG22 VAL 16 -4.235 0.507 -3.681 134 HG23 VAL 16 HG23 VAL 16 -4.973 1.537 -4.907 135 H SER 17 HN SER 17 -6.495 -1.747 -2.387 136 HA SER 17 HA SER 17 -5.795 -0.048 -0.019 137 HB2 SER 17 HB2 SER 17 -7.543 -2.514 -0.130 138 HB3 SER 17 HB1 SER 17 -6.825 -1.926 1.367 139 HG SER 17 HG SER 17 -8.890 -0.906 -0.171 140 H VAL 18 HN VAL 18 -3.835 -0.603 0.858 141 HA VAL 18 HA VAL 18 -2.724 -3.325 0.292 142 HB VAL 18 HB VAL 18 -0.515 -2.276 -0.191 143 HG11 VAL 18 HG11 VAL 18 -2.120 -2.941 -1.997 144 HG12 VAL 18 HG12 VAL 18 -1.056 -1.615 -2.467 145 HG13 VAL 18 HG13 VAL 18 -2.728 -1.286 -2.010 146 HG21 VAL 18 HG21 VAL 18 -0.431 0.132 -0.689 147 HG22 VAL 18 HG22 VAL 18 -0.950 -0.124 0.977 148 HG23 VAL 18 HG23 VAL 18 -2.134 0.292 -0.262 149 H ILE 19 HN ILE 19 -0.918 -3.875 1.743 150 HA ILE 19 HA ILE 19 -0.707 -2.235 4.213 151 HB ILE 19 HB ILE 19 -2.542 -3.913 4.554 152 HG12 ILE 19 HG12 ILE 19 -0.070 -4.572 6.174 153 HG13 ILE 19 HG11 ILE 19 -0.982 -3.078 6.385 154 HG21 ILE 19 HG21 ILE 19 -2.078 -6.253 4.525 155 HG22 ILE 19 HG22 ILE 19 -0.341 -5.978 4.386 156 HG23 ILE 19 HG23 ILE 19 -1.403 -5.618 3.025 157 HD11 ILE 19 HD11 ILE 19 -3.042 -4.499 6.761 158 HD12 ILE 19 HD12 ILE 19 -1.808 -4.651 8.011 159 HD13 ILE 19 HD13 ILE 19 -1.982 -5.908 6.787 160 H GLY 20 HN GLY 20 1.283 -2.545 5.305 161 HA2 GLY 20 HA2 GLY 20 3.073 -4.675 4.994 162 HA3 GLY 20 HA1 GLY 20 3.420 -3.592 3.648 163 H LYS 21 HN LYS 21 5.540 -3.367 4.700 164 HA LYS 21 HA LYS 21 5.539 -1.631 7.138 165 HB2 LYS 21 HB2 LYS 21 7.689 -3.288 5.798 166 HB3 LYS 21 HB1 LYS 21 8.007 -2.171 7.124 167 HG2 LYS 21 HG2 LYS 21 6.505 -3.386 8.584 168 HG3 LYS 21 HG1 LYS 21 5.995 -4.430 7.261 169 HD2 LYS 21 HD2 LYS 21 7.596 -5.717 8.447 170 HD3 LYS 21 HD1 LYS 21 8.473 -5.097 7.053 171 HE2 LYS 21 HE2 LYS 21 9.525 -3.383 8.376 172 HE3 LYS 21 HE1 LYS 21 8.478 -3.720 9.755 173 HZ1 LYS 21 HZ1 LYS 21 9.632 -5.567 10.297 174 HZ2 LYS 21 HZ2 LYS 21 10.895 -4.729 9.529 175 HZ3 LYS 21 HZ3 LYS 21 10.042 -5.939 8.694 176 H ILE 22 HN ILE 22 6.531 0.385 7.087 177 HA ILE 22 HA ILE 22 6.995 1.511 4.362 178 HB ILE 22 HB ILE 22 6.828 3.003 6.990 179 HG12 ILE 22 HG12 ILE 22 4.759 1.770 6.790 180 HG13 ILE 22 HG11 ILE 22 4.431 3.428 6.292 181 HG21 ILE 22 HG21 ILE 22 6.360 4.903 5.573 182 HG22 ILE 22 HG22 ILE 22 6.241 3.876 4.148 183 HG23 ILE 22 HG23 ILE 22 7.799 4.110 4.938 184 HD11 ILE 22 HD11 ILE 22 4.936 2.581 3.888 185 HD12 ILE 22 HD12 ILE 22 3.397 2.129 4.617 186 HD13 ILE 22 HD13 ILE 22 4.723 0.970 4.573 187 H THR 23 HN THR 23 9.015 2.096 3.713 188 HA THR 23 HA THR 23 11.193 2.325 5.758 189 HB THR 23 HB THR 23 12.673 1.007 4.346 190 HG1 THR 23 HG1 THR 23 11.016 -0.045 2.602 191 HG21 THR 23 HG21 THR 23 11.684 -1.150 4.663 192 HG22 THR 23 HG22 THR 23 10.053 -0.488 4.550 193 HG23 THR 23 HG23 THR 23 11.058 -0.123 5.954 194 H GLY 24 HN GLY 24 13.029 3.603 4.985 195 HA2 GLY 24 HA2 GLY 24 14.081 5.117 3.427 196 HA3 GLY 24 HA1 GLY 24 12.578 5.193 2.510 197 H ILE 25 HN ILE 25 10.706 6.236 3.733 198 HA ILE 25 HA ILE 25 9.862 8.230 4.638 199 HB ILE 25 HB ILE 25 11.969 7.773 6.760 200 HG12 ILE 25 HG12 ILE 25 10.851 5.652 6.416 201 HG13 ILE 25 HG11 ILE 25 10.181 6.384 7.872 202 HG21 ILE 25 HG21 ILE 25 9.205 9.023 6.793 203 HG22 ILE 25 HG22 ILE 25 10.740 9.877 6.957 204 HG23 ILE 25 HG23 ILE 25 10.211 8.765 8.220 205 HD11 ILE 25 HD11 ILE 25 8.268 5.665 6.702 206 HD12 ILE 25 HD12 ILE 25 8.931 6.146 5.142 207 HD13 ILE 25 HD13 ILE 25 8.372 7.372 6.276 208 H HIS 26 HN HIS 26 10.385 9.888 3.301 209 HA HIS 26 HA HIS 26 12.916 11.390 3.877 210 HB2 HIS 26 HB2 HIS 26 11.627 10.826 1.188 211 HB3 HIS 26 HB1 HIS 26 12.923 11.999 1.435 212 HD1 HIS 26 HD1 HIS 26 12.220 8.291 1.650 213 HD2 HIS 26 HD2 HIS 26 15.484 10.881 1.744 214 HE1 HIS 26 HE1 HIS 26 14.291 6.836 1.558 215 H LYS 27 HN LYS 27 12.526 13.511 4.344 216 HA LYS 27 HA LYS 27 9.733 14.493 4.129 217 HB2 LYS 27 HB2 LYS 27 10.977 14.746 6.271 218 HB3 LYS 27 HB1 LYS 27 12.155 15.763 5.441 219 HG2 LYS 27 HG2 LYS 27 10.410 17.380 4.872 220 HG3 LYS 27 HG1 LYS 27 9.186 16.348 5.610 221 HD2 LYS 27 HD2 LYS 27 10.321 16.572 7.794 222 HD3 LYS 27 HD1 LYS 27 11.530 17.621 7.051 223 HE2 LYS 27 HE2 LYS 27 9.784 19.235 6.440 224 HE3 LYS 27 HE1 LYS 27 8.551 18.181 7.131 225 HZ1 LYS 27 HZ1 LYS 27 9.319 18.546 9.270 226 HZ2 LYS 27 HZ2 LYS 27 9.463 20.080 8.556 227 HZ3 LYS 27 HZ3 LYS 27 10.837 19.100 8.753 228 H LYS 28 HN LYS 28 9.127 16.025 2.667 229 HA LYS 28 HA LYS 28 11.184 17.710 1.353 230 HB2 LYS 28 HB2 LYS 28 10.963 15.683 -0.078 231 HB3 LYS 28 HB1 LYS 28 9.234 15.998 -0.222 232 HG2 LYS 28 HG2 LYS 28 9.685 18.167 -1.268 233 HG3 LYS 28 HG1 LYS 28 11.419 17.925 -1.063 234 HD2 LYS 28 HD2 LYS 28 11.309 15.930 -2.513 235 HD3 LYS 28 HD1 LYS 28 9.576 16.187 -2.729 236 HE2 LYS 28 HE2 LYS 28 10.020 18.392 -3.733 237 HE3 LYS 28 HE1 LYS 28 11.753 18.152 -3.506 238 HZ1 LYS 28 HZ1 LYS 28 11.646 17.307 -5.561 239 HZ2 LYS 28 HZ2 LYS 28 9.973 17.026 -5.484 240 HZ3 LYS 28 HZ3 LYS 28 11.057 15.913 -4.796 241 H GLU 29 HN GLU 29 10.270 19.602 0.396 242 HA GLU 29 HA GLU 29 7.473 20.208 1.299 243 HB2 GLU 29 HB2 GLU 29 9.878 21.997 0.883 244 HB3 GLU 29 HB1 GLU 29 8.248 22.607 1.171 245 HG2 GLU 29 HG2 GLU 29 8.153 21.418 3.310 246 HG3 GLU 29 HG1 GLU 29 9.753 20.733 3.021 247 H TYR 30 HN TYR 30 6.045 21.144 -0.190 248 HA TYR 30 HA TYR 30 7.045 21.710 -2.927 249 HB2 TYR 30 HB2 TYR 30 5.460 20.235 -3.997 250 HB3 TYR 30 HB1 TYR 30 6.390 19.281 -2.845 251 HD1 TYR 30 HD2 TYR 30 5.362 19.143 -0.403 252 HD2 TYR 30 HD1 TYR 30 3.123 20.095 -3.944 253 HE1 TYR 30 HE2 TYR 30 3.266 18.472 0.739 254 HE2 TYR 30 HE1 TYR 30 1.030 19.423 -2.800 255 HH TYR 30 HH TYR 30 0.109 18.842 -0.849 256 H GLU 31 HN GLU 31 5.312 22.752 -4.250 257 HA GLU 31 HA GLU 31 3.803 24.639 -2.559 258 HB2 GLU 31 HB2 GLU 31 3.447 25.868 -4.621 259 HB3 GLU 31 HB1 GLU 31 5.139 25.374 -4.556 260 HG2 GLU 31 HG2 GLU 31 4.493 23.342 -5.930 261 HG3 GLU 31 HG1 GLU 31 2.908 24.088 -6.153 262 H SER 32 HN SER 32 1.558 24.771 -2.496 263 HA SER 32 HA SER 32 -0.054 22.961 -4.203 264 HB2 SER 32 HB2 SER 32 0.503 21.641 -2.158 265 HB3 SER 32 HB1 SER 32 -0.216 22.908 -1.169 266 HG SER 32 HG SER 32 -1.818 22.074 -3.226 267 H ASP 33 HN ASP 33 -1.410 24.430 -5.075 268 HA ASP 33 HA ASP 33 -2.923 26.198 -5.269 269 HB2 ASP 33 HB2 ASP 33 -3.452 25.323 -2.416 270 HB3 ASP 33 HB1 ASP 33 -4.411 26.549 -3.244 271 H GLY 34 HN GLY 34 -0.158 26.783 -4.463 272 HA2 GLY 34 HA2 GLY 34 0.936 28.856 -4.105 273 HA3 GLY 34 HA1 GLY 34 -0.605 29.553 -3.618 274 H THR 35 HN THR 35 0.135 26.605 -2.045 275 HA THR 35 HA THR 35 1.204 28.070 0.351 276 HB THR 35 HB THR 35 -0.219 26.716 1.782 277 HG1 THR 35 HG1 THR 35 -1.882 25.474 0.447 278 HG21 THR 35 HG21 THR 35 -1.801 27.878 -0.528 279 HG22 THR 35 HG22 THR 35 -1.168 28.795 0.839 280 HG23 THR 35 HG23 THR 35 -2.417 27.576 1.097 281 H THR 36 HN THR 36 2.941 27.114 1.288 282 HA THR 36 HA THR 36 4.085 24.732 0.011 283 HB THR 36 HB THR 36 5.066 26.409 2.340 284 HG1 THR 36 HG1 THR 36 5.263 27.704 0.663 285 HG21 THR 36 HG21 THR 36 7.271 25.337 1.722 286 HG22 THR 36 HG22 THR 36 6.364 24.227 0.697 287 HG23 THR 36 HG23 THR 36 6.092 24.239 2.439 288 H LYS 37 HN LYS 37 3.873 22.683 0.784 289 HA LYS 37 HA LYS 37 3.168 22.283 3.662 290 HB2 LYS 37 HB2 LYS 37 1.747 21.079 1.271 291 HB3 LYS 37 HB1 LYS 37 1.577 20.466 2.918 292 HG2 LYS 37 HG2 LYS 37 0.800 22.686 3.669 293 HG3 LYS 37 HG1 LYS 37 0.959 23.297 2.021 294 HD2 LYS 37 HD2 LYS 37 -0.699 21.649 1.242 295 HD3 LYS 37 HD1 LYS 37 -0.857 21.029 2.887 296 HE2 LYS 37 HE2 LYS 37 -1.635 23.236 3.656 297 HE3 LYS 37 HE1 LYS 37 -1.468 23.870 2.018 298 HZ1 LYS 37 HZ1 LYS 37 -3.633 23.277 1.942 299 HZ2 LYS 37 HZ2 LYS 37 -3.473 22.064 3.121 300 HZ3 LYS 37 HZ3 LYS 37 -2.975 21.771 1.523 301 H SER 38 HN SER 38 4.061 20.416 4.558 302 HA SER 38 HA SER 38 6.324 19.294 3.098 303 HB2 SER 38 HB2 SER 38 6.984 18.377 5.146 304 HB3 SER 38 HB1 SER 38 6.099 19.815 5.650 305 HG SER 38 HG SER 38 4.240 18.120 5.486 306 H VAL 39 HN VAL 39 6.615 17.045 2.633 307 HA VAL 39 HA VAL 39 4.204 15.310 2.745 308 HB VAL 39 HB VAL 39 4.040 16.261 0.529 309 HG11 VAL 39 HG11 VAL 39 5.941 16.151 -1.056 310 HG12 VAL 39 HG12 VAL 39 6.961 15.506 0.230 311 HG13 VAL 39 HG13 VAL 39 6.319 17.142 0.350 312 HG21 VAL 39 HG21 VAL 39 4.159 14.277 -0.811 313 HG22 VAL 39 HG22 VAL 39 3.814 13.737 0.830 314 HG23 VAL 39 HG23 VAL 39 5.449 13.602 0.185 315 H TYR 40 HN TYR 40 4.750 13.154 3.057 316 HA TYR 40 HA TYR 40 7.661 12.587 3.448 317 HB2 TYR 40 HB2 TYR 40 5.157 11.246 4.505 318 HB3 TYR 40 HB1 TYR 40 6.792 10.636 4.781 319 HD1 TYR 40 HD2 TYR 40 4.457 13.436 5.439 320 HD2 TYR 40 HD1 TYR 40 8.313 11.745 6.285 321 HE1 TYR 40 HE2 TYR 40 4.745 15.033 7.316 322 HE2 TYR 40 HE1 TYR 40 8.603 13.342 8.160 323 HH TYR 40 HH TYR 40 5.990 15.532 9.128 324 H GLN 41 HN GLN 41 8.672 11.163 2.140 325 HA GLN 41 HA GLN 41 7.019 9.448 0.315 326 HB2 GLN 41 HB2 GLN 41 9.626 10.888 -0.214 327 HB3 GLN 41 HB1 GLN 41 8.945 9.665 -1.289 328 HG2 GLN 41 HG2 GLN 41 6.892 11.011 -1.527 329 HG3 GLN 41 HG1 GLN 41 7.570 12.235 -0.453 330 HE21 GLN 41 HE21 GLN 41 8.087 13.978 -1.794 331 HE22 GLN 41 HE22 GLN 41 8.985 13.857 -3.229 332 H GLY 42 HN GLY 42 7.914 7.364 -0.167 333 HA2 GLY 42 HA2 GLY 42 10.378 6.437 0.983 334 HA3 GLY 42 HA1 GLY 42 9.026 6.004 2.030 335 H TYR 43 HN TYR 43 9.501 3.784 1.548 336 HA TYR 43 HA TYR 43 8.244 2.870 -1.002 337 HB2 TYR 43 HB2 TYR 43 10.860 1.890 0.185 338 HB3 TYR 43 HB1 TYR 43 9.988 1.059 -1.104 339 HD1 TYR 43 HD2 TYR 43 11.727 4.219 -0.196 340 HD2 TYR 43 HD1 TYR 43 10.055 1.842 -3.359 341 HE1 TYR 43 HE2 TYR 43 12.765 5.721 -1.875 342 HE2 TYR 43 HE1 TYR 43 11.092 3.344 -5.037 343 HH TYR 43 HH TYR 43 11.866 5.912 -4.973 344 H ILE 44 HN ILE 44 6.905 1.078 -0.672 345 HA ILE 44 HA ILE 44 6.806 0.009 2.133 346 HB ILE 44 HB ILE 44 4.815 1.337 1.518 347 HG12 ILE 44 HG12 ILE 44 4.139 -1.615 1.575 348 HG13 ILE 44 HG11 ILE 44 4.751 -0.756 2.987 349 HG21 ILE 44 HG21 ILE 44 4.199 -0.790 -0.537 350 HG22 ILE 44 HG22 ILE 44 5.055 0.689 -0.974 351 HG23 ILE 44 HG23 ILE 44 3.423 0.778 -0.312 352 HD11 ILE 44 HD11 ILE 44 2.188 -0.214 1.468 353 HD12 ILE 44 HD12 ILE 44 2.845 0.896 2.672 354 HD13 ILE 44 HD13 ILE 44 2.354 -0.729 3.147 355 H GLU 45 HN GLU 45 7.103 -2.131 2.366 356 HA GLU 45 HA GLU 45 7.075 -3.845 -0.111 357 HB2 GLU 45 HB2 GLU 45 9.335 -3.511 0.864 358 HB3 GLU 45 HB1 GLU 45 8.753 -4.171 2.392 359 HG2 GLU 45 HG2 GLU 45 8.254 -6.309 1.325 360 HG3 GLU 45 HG1 GLU 45 8.707 -5.660 -0.250 361 H ASP 46 HN ASP 46 6.357 -6.047 0.175 362 HA ASP 46 HA ASP 46 4.886 -6.627 2.703 363 HB2 ASP 46 HB2 ASP 46 2.878 -7.275 1.495 364 HB3 ASP 46 HB1 ASP 46 3.279 -5.611 1.072 365 H ASP 47 HN ASP 47 3.619 -8.929 1.240 366 HA ASP 47 HA ASP 47 5.786 -10.817 1.709 367 HB2 ASP 47 HB2 ASP 47 2.940 -11.155 0.734 368 HB3 ASP 47 HB1 ASP 47 4.040 -12.504 1.015 369 H THR 48 HN THR 48 4.877 -8.990 -1.000 370 HA THR 48 HA THR 48 6.070 -11.014 -2.879 371 HB THR 48 HB THR 48 4.942 -9.593 -4.659 372 HG1 THR 48 HG1 THR 48 3.511 -8.620 -2.418 373 HG21 THR 48 HG21 THR 48 3.082 -10.832 -2.618 374 HG22 THR 48 HG22 THR 48 4.044 -11.764 -3.764 375 HG23 THR 48 HG23 THR 48 2.801 -10.662 -4.349 376 H ALA 49 HN ALA 49 5.663 -7.569 -3.504 377 HA ALA 49 HA ALA 49 8.654 -7.255 -3.534 378 HB1 ALA 49 HB1 ALA 49 7.600 -7.523 -5.826 379 HB2 ALA 49 HB2 ALA 49 8.502 -6.025 -5.592 380 HB3 ALA 49 HB3 ALA 49 6.739 -6.015 -5.523 381 H ARG 50 HN ARG 50 8.241 -4.489 -4.547 382 HA ARG 50 HA ARG 50 6.859 -3.156 -2.301 383 HB2 ARG 50 HB2 ARG 50 8.859 -1.840 -1.706 384 HB3 ARG 50 HB1 ARG 50 9.158 -3.563 -1.481 385 HG2 ARG 50 HG2 ARG 50 10.257 -3.650 -3.709 386 HG3 ARG 50 HG1 ARG 50 10.000 -1.914 -3.890 387 HD2 ARG 50 HD2 ARG 50 11.329 -1.520 -1.831 388 HD3 ARG 50 HD1 ARG 50 11.635 -3.250 -1.714 389 HE ARG 50 HE ARG 50 12.841 -1.398 -3.671 390 HH11 ARG 50 HH21 ARG 50 12.176 -4.645 -2.681 391 HH12 ARG 50 HH22 ARG 50 13.480 -5.324 -3.596 392 HH21 ARG 50 HH11 ARG 50 14.541 -2.280 -4.864 393 HH22 ARG 50 HH12 ARG 50 14.815 -3.990 -4.830 394 H ILE 51 HN ILE 51 6.532 -0.857 -2.682 395 HA ILE 51 HA ILE 51 7.184 0.115 -5.420 396 HB ILE 51 HB ILE 51 4.938 -0.944 -5.546 397 HG12 ILE 51 HG12 ILE 51 4.736 2.074 -5.672 398 HG13 ILE 51 HG11 ILE 51 5.627 1.124 -6.861 399 HG21 ILE 51 HG21 ILE 51 4.351 -0.455 -3.133 400 HG22 ILE 51 HG22 ILE 51 3.079 -0.052 -4.288 401 HG23 ILE 51 HG23 ILE 51 4.087 1.224 -3.606 402 HD11 ILE 51 HD11 ILE 51 2.687 0.789 -6.188 403 HD12 ILE 51 HD12 ILE 51 3.582 -0.152 -7.383 404 HD13 ILE 51 HD13 ILE 51 3.325 1.575 -7.632 405 H ARG 52 HN ARG 52 7.186 2.390 -5.599 406 HA ARG 52 HA ARG 52 7.821 3.813 -3.157 407 HB2 ARG 52 HB2 ARG 52 8.887 4.315 -5.350 408 HB3 ARG 52 HB1 ARG 52 7.334 4.897 -5.949 409 HG2 ARG 52 HG2 ARG 52 7.288 6.628 -4.205 410 HG3 ARG 52 HG1 ARG 52 8.818 6.032 -3.560 411 HD2 ARG 52 HD2 ARG 52 9.861 6.491 -5.805 412 HD3 ARG 52 HD1 ARG 52 8.347 7.251 -6.295 413 HE ARG 52 HE ARG 52 9.199 8.432 -3.843 414 HH11 ARG 52 HH21 ARG 52 10.042 8.170 -7.180 415 HH12 ARG 52 HH22 ARG 52 10.832 9.712 -7.235 416 HH21 ARG 52 HH11 ARG 52 10.226 10.440 -3.900 417 HH22 ARG 52 HH12 ARG 52 10.935 10.996 -5.379 418 H ILE 53 HN ILE 53 6.529 5.167 -1.958 419 HA ILE 53 HA ILE 53 3.853 5.931 -3.026 420 HB ILE 53 HB ILE 53 2.683 5.229 -1.068 421 HG12 ILE 53 HG12 ILE 53 4.272 5.769 0.682 422 HG13 ILE 53 HG11 ILE 53 3.881 4.059 0.814 423 HG21 ILE 53 HG21 ILE 53 3.381 3.483 -2.807 424 HG22 ILE 53 HG22 ILE 53 2.854 2.873 -1.239 425 HG23 ILE 53 HG23 ILE 53 4.572 2.942 -1.624 426 HD11 ILE 53 HD11 ILE 53 6.402 5.331 -0.216 427 HD12 ILE 53 HD12 ILE 53 5.976 3.680 -0.672 428 HD13 ILE 53 HD13 ILE 53 6.219 4.095 1.022 429 H SER 54 HN SER 54 2.832 7.632 -1.571 430 HA SER 54 HA SER 54 4.788 9.203 0.002 431 HB2 SER 54 HB2 SER 54 4.423 11.230 -1.286 432 HB3 SER 54 HB1 SER 54 4.975 9.967 -2.381 433 HG SER 54 HG SER 54 3.053 11.248 -3.014 434 H SER 55 HN SER 55 3.780 10.743 1.388 435 HA SER 55 HA SER 55 0.795 10.635 1.531 436 HB2 SER 55 HB2 SER 55 0.901 10.314 3.946 437 HB3 SER 55 HB1 SER 55 1.784 9.011 3.158 438 HG SER 55 HG SER 55 2.865 11.375 4.310 439 H PHE 56 HN PHE 56 0.013 12.658 1.586 440 HA PHE 56 HA PHE 56 1.850 14.916 2.039 441 HB2 PHE 56 HB2 PHE 56 -1.091 14.889 1.312 442 HB3 PHE 56 HB1 PHE 56 -0.014 16.285 1.238 443 HD1 PHE 56 HD1 PHE 56 1.882 16.318 -0.376 444 HD2 PHE 56 HD2 PHE 56 -1.055 13.185 -0.388 445 HE1 PHE 56 HE1 PHE 56 2.624 15.635 -2.641 446 HE2 PHE 56 HE2 PHE 56 -0.315 12.503 -2.656 447 HZ PHE 56 HZ PHE 56 1.524 13.727 -3.782 448 H GLY 57 HN GLY 57 1.962 16.074 3.892 449 HA2 GLY 57 HA2 GLY 57 1.342 16.997 5.961 450 HA3 GLY 57 HA1 GLY 57 -0.307 16.470 5.641 451 H LYS 58 HN LYS 58 -0.056 13.736 5.477 452 HA LYS 58 HA LYS 58 0.197 13.028 8.262 453 HB2 LYS 58 HB2 LYS 58 -0.136 11.338 5.772 454 HB3 LYS 58 HB1 LYS 58 -0.206 10.697 7.415 455 HG2 LYS 58 HG2 LYS 58 -2.058 12.244 7.940 456 HG3 LYS 58 HG1 LYS 58 -1.997 12.872 6.292 457 HD2 LYS 58 HD2 LYS 58 -2.520 10.630 5.411 458 HD3 LYS 58 HD1 LYS 58 -2.576 9.998 7.057 459 HE2 LYS 58 HE2 LYS 58 -4.418 11.546 7.595 460 HE3 LYS 58 HE1 LYS 58 -4.370 12.174 5.948 461 HZ1 LYS 58 HZ1 LYS 58 -5.747 10.548 5.396 462 HZ2 LYS 58 HZ2 LYS 58 -5.625 9.832 6.933 463 HZ3 LYS 58 HZ3 LYS 58 -4.511 9.431 5.714 464 H GLN 59 HN GLN 59 1.878 12.099 9.343 465 HA GLN 59 HA GLN 59 4.462 11.841 7.896 466 HB2 GLN 59 HB2 GLN 59 4.406 13.192 9.967 467 HB3 GLN 59 HB1 GLN 59 3.860 11.775 10.866 468 HG2 GLN 59 HG2 GLN 59 5.908 10.591 10.387 469 HG3 GLN 59 HG1 GLN 59 6.435 11.856 9.276 470 HE21 GLN 59 HE21 GLN 59 8.065 11.147 11.488 471 HE22 GLN 59 HE22 GLN 59 8.075 12.432 12.598 472 H LEU 60 HN LEU 60 5.768 9.940 8.150 473 HA LEU 60 HA LEU 60 4.292 7.472 9.014 474 HB2 LEU 60 HB2 LEU 60 6.079 7.797 6.583 475 HB3 LEU 60 HB1 LEU 60 5.330 6.295 7.114 476 HG LEU 60 HG LEU 60 3.797 8.799 6.358 477 HD11 LEU 60 HD11 LEU 60 4.831 7.930 4.369 478 HD12 LEU 60 HD12 LEU 60 3.151 7.393 4.349 479 HD13 LEU 60 HD13 LEU 60 4.429 6.272 4.815 480 HD21 LEU 60 HD21 LEU 60 1.950 6.909 6.200 481 HD22 LEU 60 HD22 LEU 60 2.356 7.598 7.765 482 HD23 LEU 60 HD23 LEU 60 3.022 6.036 7.293 483 H GLN 61 HN GLN 61 5.703 5.730 9.712 484 HA GLN 61 HA GLN 61 8.400 6.680 10.643 485 HB2 GLN 61 HB2 GLN 61 6.372 4.852 11.933 486 HB3 GLN 61 HB1 GLN 61 8.045 4.961 12.487 487 HG2 GLN 61 HG2 GLN 61 7.778 7.366 12.881 488 HG3 GLN 61 HG1 GLN 61 6.124 7.298 12.269 489 HE21 GLN 61 HE21 GLN 61 7.593 7.631 15.117 490 HE22 GLN 61 HE22 GLN 61 6.588 6.700 16.122 491 H ASP 62 HN ASP 62 10.127 5.444 10.111 492 HA ASP 62 HA ASP 62 9.880 3.412 8.111 493 HB2 ASP 62 HB2 ASP 62 11.884 4.839 8.362 494 HB3 ASP 62 HB1 ASP 62 12.245 4.044 9.893 495 H SER 63 HN SER 63 9.796 1.228 8.259 496 HA SER 63 HA SER 63 9.897 -0.930 9.174 497 HB2 SER 63 HB2 SER 63 10.543 0.093 11.922 498 HB3 SER 63 HB1 SER 63 11.109 -1.357 11.106 499 HG SER 63 HG SER 63 12.801 -0.010 10.991 500 H ASP 64 HN ASP 64 7.870 1.573 10.125 501 HA ASP 64 HA ASP 64 6.331 0.017 12.083 502 HB2 ASP 64 HB2 ASP 64 6.008 2.713 10.783 503 HB3 ASP 64 HB1 ASP 64 4.635 1.980 11.609 504 H VAL 65 HN VAL 65 4.407 -1.037 11.739 505 HA VAL 65 HA VAL 65 3.826 -1.808 8.937 506 HB VAL 65 HB VAL 65 2.523 -2.814 11.486 507 HG11 VAL 65 HG11 VAL 65 1.831 -4.679 10.133 508 HG12 VAL 65 HG12 VAL 65 2.835 -4.148 8.785 509 HG13 VAL 65 HG13 VAL 65 1.409 -3.219 9.241 510 HG21 VAL 65 HG21 VAL 65 4.799 -4.123 9.980 511 HG22 VAL 65 HG22 VAL 65 4.127 -4.595 11.537 512 HG23 VAL 65 HG23 VAL 65 5.061 -3.110 11.399 513 H VAL 66 HN VAL 66 2.218 -0.790 7.840 514 HA VAL 66 HA VAL 66 -0.091 0.326 9.375 515 HB VAL 66 HB VAL 66 -0.000 2.375 7.988 516 HG11 VAL 66 HG11 VAL 66 1.741 3.437 9.218 517 HG12 VAL 66 HG12 VAL 66 2.687 1.951 9.310 518 HG13 VAL 66 HG13 VAL 66 1.200 2.109 10.246 519 HG21 VAL 66 HG21 VAL 66 2.237 2.765 6.792 520 HG22 VAL 66 HG22 VAL 66 1.124 1.638 6.015 521 HG23 VAL 66 HG23 VAL 66 2.498 1.028 6.937 522 H ARG 67 HN ARG 67 -1.960 0.730 8.033 523 HA ARG 67 HA ARG 67 -2.049 -0.933 5.541 524 HB2 ARG 67 HB2 ARG 67 -3.252 -1.989 7.446 525 HB3 ARG 67 HB1 ARG 67 -4.241 -0.536 7.599 526 HG2 ARG 67 HG2 ARG 67 -5.097 -0.850 5.324 527 HG3 ARG 67 HG1 ARG 67 -4.068 -2.263 5.114 528 HD2 ARG 67 HD2 ARG 67 -5.238 -3.325 7.067 529 HD3 ARG 67 HD1 ARG 67 -6.345 -1.952 7.088 530 HE ARG 67 HE ARG 67 -6.312 -3.019 4.451 531 HH11 ARG 67 HH21 ARG 67 -7.239 -3.802 7.679 532 HH12 ARG 67 HH22 ARG 67 -8.531 -4.851 7.194 533 HH21 ARG 67 HH11 ARG 67 -7.989 -4.381 3.800 534 HH22 ARG 67 HH12 ARG 67 -8.955 -5.178 4.996 535 H ILE 68 HN ILE 68 -2.627 0.231 3.778 536 HA ILE 68 HA ILE 68 -3.944 2.895 4.203 537 HB ILE 68 HB ILE 68 -2.309 1.914 1.840 538 HG12 ILE 68 HG12 ILE 68 -1.586 3.942 3.976 539 HG13 ILE 68 HG11 ILE 68 -1.057 2.261 4.018 540 HG21 ILE 68 HG21 ILE 68 -2.406 4.263 1.130 541 HG22 ILE 68 HG22 ILE 68 -3.353 4.675 2.558 542 HG23 ILE 68 HG23 ILE 68 -4.043 3.638 1.315 543 HD11 ILE 68 HD11 ILE 68 -0.554 4.000 1.600 544 HD12 ILE 68 HD12 ILE 68 0.255 2.504 2.065 545 HD13 ILE 68 HD13 ILE 68 0.555 3.987 2.970 546 H ASP 69 HN ASP 69 -5.981 3.082 3.498 547 HA ASP 69 HA ASP 69 -7.066 1.013 1.613 548 HB2 ASP 69 HB2 ASP 69 -8.374 2.578 3.850 549 HB3 ASP 69 HB1 ASP 69 -9.279 1.617 2.681 550 H ASN 70 HN ASN 70 -8.190 1.725 -0.187 551 HA ASN 70 HA ASN 70 -8.927 3.204 -1.843 552 HB2 ASN 70 HB2 ASN 70 -10.298 4.032 0.177 553 HB3 ASN 70 HB1 ASN 70 -9.111 5.327 0.297 554 HD21 ASN 70 HD21 ASN 70 -10.408 7.081 -0.439 555 HD22 ASN 70 HD22 ASN 70 -11.079 7.146 -1.997 556 H ALA 71 HN ALA 71 -6.120 2.934 -1.371 557 HA ALA 71 HA ALA 71 -4.805 5.506 -1.348 558 HB1 ALA 71 HB1 ALA 71 -3.685 3.042 -2.695 559 HB2 ALA 71 HB2 ALA 71 -3.801 3.132 -0.942 560 HB3 ALA 71 HB3 ALA 71 -2.823 4.307 -1.819 561 H ARG 72 HN ARG 72 -4.219 6.807 -3.112 562 HA ARG 72 HA ARG 72 -5.652 6.249 -5.650 563 HB2 ARG 72 HB2 ARG 72 -5.867 8.485 -4.583 564 HB3 ARG 72 HB1 ARG 72 -4.129 8.718 -4.760 565 HG2 ARG 72 HG2 ARG 72 -4.300 8.617 -7.176 566 HG3 ARG 72 HG1 ARG 72 -6.006 8.182 -7.079 567 HD2 ARG 72 HD2 ARG 72 -5.828 10.560 -7.579 568 HD3 ARG 72 HD1 ARG 72 -6.454 10.363 -5.944 569 HE ARG 72 HE ARG 72 -3.597 10.588 -5.851 570 HH11 ARG 72 HH21 ARG 72 -6.495 12.358 -6.461 571 HH12 ARG 72 HH22 ARG 72 -5.835 13.874 -5.944 572 HH21 ARG 72 HH11 ARG 72 -2.721 12.561 -5.172 573 HH22 ARG 72 HH12 ARG 72 -3.701 13.989 -5.215 574 H VAL 73 HN VAL 73 -4.588 5.332 -7.295 575 HA VAL 73 HA VAL 73 -1.672 5.039 -7.232 576 HB VAL 73 HB VAL 73 -3.628 4.218 -9.397 577 HG11 VAL 73 HG11 VAL 73 -1.246 4.246 -10.061 578 HG12 VAL 73 HG12 VAL 73 -1.864 2.597 -9.973 579 HG13 VAL 73 HG13 VAL 73 -0.852 3.230 -8.674 580 HG21 VAL 73 HG21 VAL 73 -4.199 3.286 -7.144 581 HG22 VAL 73 HG22 VAL 73 -2.576 2.602 -7.054 582 HG23 VAL 73 HG23 VAL 73 -3.701 2.043 -8.291 583 H ALA 74 HN ALA 74 -0.237 6.251 -8.382 584 HA ALA 74 HA ALA 74 -1.231 7.985 -10.601 585 HB1 ALA 74 HB1 ALA 74 0.096 9.884 -9.683 586 HB2 ALA 74 HB2 ALA 74 0.433 8.924 -8.241 587 HB3 ALA 74 HB3 ALA 74 -1.220 9.414 -8.608 588 H GLN 75 HN GLN 75 0.494 8.623 -12.060 589 HA GLN 75 HA GLN 75 2.925 6.869 -11.864 590 HB2 GLN 75 HB2 GLN 75 1.424 6.326 -13.760 591 HB3 GLN 75 HB1 GLN 75 1.572 7.987 -14.333 592 HG2 GLN 75 HG2 GLN 75 3.963 7.719 -14.666 593 HG3 GLN 75 HG1 GLN 75 3.919 6.112 -13.939 594 HE21 GLN 75 HE21 GLN 75 4.334 4.731 -15.691 595 HE22 GLN 75 HE22 GLN 75 3.457 4.741 -17.145 596 H PHE 76 HN PHE 76 4.700 8.009 -11.366 597 HA PHE 76 HA PHE 76 4.975 10.805 -12.434 598 HB2 PHE 76 HB2 PHE 76 5.767 9.639 -9.755 599 HB3 PHE 76 HB1 PHE 76 6.459 11.141 -10.370 600 HD1 PHE 76 HD2 PHE 76 4.833 12.996 -11.109 601 HD2 PHE 76 HD1 PHE 76 3.655 9.655 -8.679 602 HE1 PHE 76 HE2 PHE 76 2.823 14.244 -10.370 603 HE2 PHE 76 HE1 PHE 76 1.644 10.906 -7.940 604 HZ PHE 76 HZ PHE 76 1.228 13.200 -8.785 605 H ASN 77 HN ASN 77 6.812 11.207 -13.555 606 HA ASN 77 HA ASN 77 8.791 10.776 -14.719 607 HB2 ASN 77 HB2 ASN 77 9.375 9.428 -12.069 608 HB3 ASN 77 HB1 ASN 77 10.574 9.584 -13.353 609 HD21 ASN 77 HD21 ASN 77 10.897 10.898 -10.805 610 HD22 ASN 77 HD22 ASN 77 10.803 12.573 -11.063 611 H GLY 78 HN GLY 78 6.526 8.892 -15.001 612 HA2 GLY 78 HA2 GLY 78 6.209 6.967 -16.326 613 HA3 GLY 78 HA1 GLY 78 7.959 6.823 -16.454 614 H TYR 79 HN TYR 79 7.092 7.124 -13.220 615 HA TYR 79 HA TYR 79 7.209 4.146 -12.841 616 HB2 TYR 79 HB2 TYR 79 8.245 6.417 -11.125 617 HB3 TYR 79 HB1 TYR 79 8.181 4.735 -10.589 618 HD1 TYR 79 HD2 TYR 79 9.412 2.970 -11.913 619 HD2 TYR 79 HD1 TYR 79 9.977 7.176 -12.582 620 HE1 TYR 79 HE2 TYR 79 11.530 2.495 -13.111 621 HE2 TYR 79 HE1 TYR 79 12.095 6.699 -13.780 622 HH TYR 79 HH TYR 79 13.431 3.430 -13.921 623 H LEU 80 HN LEU 80 5.603 3.205 -11.696 624 HA LEU 80 HA LEU 80 3.236 4.749 -11.024 625 HB2 LEU 80 HB2 LEU 80 3.909 1.861 -10.414 626 HB3 LEU 80 HB1 LEU 80 2.306 2.589 -10.339 627 HG LEU 80 HG LEU 80 4.021 2.394 -12.833 628 HD11 LEU 80 HD11 LEU 80 3.123 0.216 -12.008 629 HD12 LEU 80 HD12 LEU 80 2.428 0.694 -13.557 630 HD13 LEU 80 HD13 LEU 80 1.496 0.895 -12.073 631 HD21 LEU 80 HD21 LEU 80 2.654 4.267 -13.202 632 HD22 LEU 80 HD22 LEU 80 1.332 3.622 -12.227 633 HD23 LEU 80 HD23 LEU 80 1.645 2.967 -13.833 634 H SER 81 HN SER 81 2.412 5.189 -8.968 635 HA SER 81 HA SER 81 3.875 4.320 -6.573 636 HB2 SER 81 HB2 SER 81 4.627 6.425 -5.855 637 HB3 SER 81 HB1 SER 81 4.990 6.458 -7.577 638 HG SER 81 HG SER 81 3.826 8.326 -6.645 639 H LEU 82 HN LEU 82 2.706 5.021 -4.590 640 HA LEU 82 HA LEU 82 -0.221 5.353 -5.142 641 HB2 LEU 82 HB2 LEU 82 1.173 4.269 -2.676 642 HB3 LEU 82 HB1 LEU 82 -0.568 4.295 -2.965 643 HG LEU 82 HG LEU 82 1.464 2.815 -4.666 644 HD11 LEU 82 HD11 LEU 82 -0.550 1.833 -2.622 645 HD12 LEU 82 HD12 LEU 82 1.206 1.765 -2.478 646 HD13 LEU 82 HD13 LEU 82 0.383 0.789 -3.694 647 HD21 LEU 82 HD21 LEU 82 -1.519 3.233 -4.846 648 HD22 LEU 82 HD22 LEU 82 -0.815 1.731 -5.441 649 HD23 LEU 82 HD23 LEU 82 -0.311 3.269 -6.131 650 H SER 83 HN SER 83 -1.159 7.202 -4.532 651 HA SER 83 HA SER 83 0.387 9.116 -2.844 652 HB2 SER 83 HB2 SER 83 -1.884 9.412 -4.810 653 HB3 SER 83 HB1 SER 83 -1.485 10.702 -3.678 654 HG SER 83 HG SER 83 0.286 9.470 -5.529 655 H VAL 84 HN VAL 84 -0.220 9.378 -0.759 656 HA VAL 84 HA VAL 84 -2.954 8.468 0.080 657 HB VAL 84 HB VAL 84 -0.587 8.817 1.925 658 HG11 VAL 84 HG11 VAL 84 -3.073 7.083 2.014 659 HG12 VAL 84 HG12 VAL 84 -2.839 8.584 2.911 660 HG13 VAL 84 HG13 VAL 84 -1.838 7.177 3.270 661 HG21 VAL 84 HG21 VAL 84 0.165 7.293 0.181 662 HG22 VAL 84 HG22 VAL 84 -1.344 6.385 0.280 663 HG23 VAL 84 HG23 VAL 84 -0.208 6.358 1.630 664 H GLY 85 HN GLY 85 -4.292 10.016 0.887 665 HA2 GLY 85 HA2 GLY 85 -3.182 12.443 2.144 666 HA3 GLY 85 HA1 GLY 85 -4.098 12.702 0.659 667 H ASP 86 HN ASP 86 -5.770 13.819 1.717 668 HA ASP 86 HA ASP 86 -7.142 12.923 4.050 669 HB2 ASP 86 HB2 ASP 86 -7.980 14.692 1.742 670 HB3 ASP 86 HB1 ASP 86 -9.004 14.416 3.151 671 H SER 87 HN SER 87 -7.802 12.370 0.597 672 HA SER 87 HA SER 87 -10.273 11.000 0.916 673 HB2 SER 87 HB2 SER 87 -8.147 10.572 -1.201 674 HB3 SER 87 HB1 SER 87 -9.833 10.073 -1.318 675 HG SER 87 HG SER 87 -9.188 12.742 -0.723 676 H SER 88 HN SER 88 -6.935 9.761 0.907 677 HA SER 88 HA SER 88 -7.813 7.003 1.243 678 HB2 SER 88 HB2 SER 88 -5.346 6.610 1.660 679 HB3 SER 88 HB1 SER 88 -5.731 7.352 0.110 680 HG SER 88 HG SER 88 -4.743 8.568 2.470 681 H ARG 89 HN ARG 89 -7.039 5.700 3.142 682 HA ARG 89 HA ARG 89 -7.144 7.256 5.710 683 HB2 ARG 89 HB2 ARG 89 -9.312 6.110 5.238 684 HB3 ARG 89 HB1 ARG 89 -8.452 4.574 5.155 685 HG2 ARG 89 HG2 ARG 89 -7.708 4.832 7.478 686 HG3 ARG 89 HG1 ARG 89 -8.496 6.407 7.572 687 HD2 ARG 89 HD2 ARG 89 -9.955 3.823 6.955 688 HD3 ARG 89 HD1 ARG 89 -9.855 4.537 8.564 689 HE ARG 89 HE ARG 89 -10.812 6.537 6.793 690 HH11 ARG 89 HH21 ARG 89 -11.693 3.476 8.120 691 HH12 ARG 89 HH22 ARG 89 -13.395 3.794 8.062 692 HH21 ARG 89 HH11 ARG 89 -13.024 6.967 6.712 693 HH22 ARG 89 HH12 ARG 89 -14.148 5.770 7.264 694 H ILE 90 HN ILE 90 -5.534 6.737 7.114 695 HA ILE 90 HA ILE 90 -3.842 4.325 6.514 696 HB ILE 90 HB ILE 90 -3.097 6.914 7.910 697 HG12 ILE 90 HG12 ILE 90 -2.257 5.807 5.210 698 HG13 ILE 90 HG11 ILE 90 -3.432 7.097 5.440 699 HG21 ILE 90 HG21 ILE 90 -1.831 5.066 8.834 700 HG22 ILE 90 HG22 ILE 90 -0.774 5.945 7.738 701 HG23 ILE 90 HG23 ILE 90 -1.504 4.425 7.226 702 HD11 ILE 90 HD11 ILE 90 -1.308 8.052 6.903 703 HD12 ILE 90 HD12 ILE 90 -1.626 8.467 5.223 704 HD13 ILE 90 HD13 ILE 90 -0.484 7.182 5.612 705 H GLU 91 HN GLU 91 -3.788 2.779 8.078 706 HA GLU 91 HA GLU 91 -4.568 3.531 10.874 707 HB2 GLU 91 HB2 GLU 91 -6.475 2.423 9.660 708 HB3 GLU 91 HB1 GLU 91 -5.450 1.004 9.443 709 HG2 GLU 91 HG2 GLU 91 -6.821 0.644 11.408 710 HG3 GLU 91 HG1 GLU 91 -5.164 0.914 11.944 711 H SER 92 HN SER 92 -2.984 2.968 12.241 712 HA SER 92 HA SER 92 -0.756 1.317 11.364 713 HB2 SER 92 HB2 SER 92 0.282 1.939 13.376 714 HB3 SER 92 HB1 SER 92 -0.750 3.322 13.021 715 HG SER 92 HG SER 92 -2.082 2.751 14.605 716 H VAL 93 HN VAL 93 -0.071 -0.667 12.435 717 HA VAL 93 HA VAL 93 -2.223 -2.127 13.916 718 HB VAL 93 HB VAL 93 -1.861 -4.125 12.568 719 HG11 VAL 93 HG11 VAL 93 -3.471 -2.281 11.836 720 HG12 VAL 93 HG12 VAL 93 -2.961 -3.400 10.572 721 HG13 VAL 93 HG13 VAL 93 -2.236 -1.796 10.674 722 HG21 VAL 93 HG21 VAL 93 0.473 -3.875 11.986 723 HG22 VAL 93 HG22 VAL 93 0.146 -2.374 11.118 724 HG23 VAL 93 HG23 VAL 93 -0.448 -3.909 10.483 725 H ASN 94 HN ASN 94 0.673 -0.886 14.205 726 HA ASN 94 HA ASN 94 2.146 -3.237 15.217 727 HB2 ASN 94 HB2 ASN 94 3.308 -1.357 14.025 728 HB3 ASN 94 HB1 ASN 94 2.875 -0.294 15.365 729 HD21 ASN 94 HD21 ASN 94 4.876 0.025 16.407 730 HD22 ASN 94 HD22 ASN 94 5.864 -1.233 16.974 731 H VAL 95 HN VAL 95 -0.355 -1.494 16.385 732 HA VAL 95 HA VAL 95 0.592 -1.712 19.229 733 HB VAL 95 HB VAL 95 0.295 0.649 18.534 734 HG11 VAL 95 HG11 VAL 95 -2.639 -0.006 18.206 735 HG12 VAL 95 HG12 VAL 95 -1.530 0.046 16.835 736 HG13 VAL 95 HG13 VAL 95 -1.807 1.495 17.800 737 HG21 VAL 95 HG21 VAL 95 -1.015 1.292 20.430 738 HG22 VAL 95 HG22 VAL 95 -0.263 -0.244 20.862 739 HG23 VAL 95 HG23 VAL 95 -1.957 -0.199 20.370 740 H ASN 96 HN ASN 96 -0.675 -2.911 20.550 741 HA ASN 96 HA ASN 96 -2.725 -4.592 19.470 742 HB2 ASN 96 HB2 ASN 96 -1.231 -4.941 21.562 743 HB3 ASN 96 HB1 ASN 96 -2.429 -3.966 22.412 744 HD21 ASN 96 HD21 ASN 96 -3.195 -5.788 23.685 745 HD22 ASN 96 HD22 ASN 96 -4.097 -7.044 22.985 746 H ILE 97 HN ILE 97 -4.938 -4.380 19.462 747 HA ILE 97 HA ILE 97 -6.147 -1.958 20.756 748 HB ILE 97 HB ILE 97 -7.671 -1.901 18.697 749 HG12 ILE 97 HG12 ILE 97 -5.380 -3.458 17.464 750 HG13 ILE 97 HG11 ILE 97 -6.907 -4.207 17.929 751 HG21 ILE 97 HG21 ILE 97 -6.011 -0.182 18.995 752 HG22 ILE 97 HG22 ILE 97 -5.882 -0.730 17.324 753 HG23 ILE 97 HG23 ILE 97 -4.711 -1.277 18.524 754 HD11 ILE 97 HD11 ILE 97 -6.790 -1.800 16.103 755 HD12 ILE 97 HD12 ILE 97 -8.142 -2.901 16.364 756 HD13 ILE 97 HD13 ILE 97 -6.713 -3.450 15.487 757 HA PRO 98 HA PRO 98 -8.380 -5.988 21.672 758 HB2 PRO 98 HB2 PRO 98 -8.136 -5.961 24.383 759 HB3 PRO 98 HB1 PRO 98 -6.868 -6.603 23.318 760 HG2 PRO 98 HG2 PRO 98 -7.036 -3.934 24.655 761 HG3 PRO 98 HG1 PRO 98 -5.643 -5.022 24.483 762 HD2 PRO 98 HD2 PRO 98 -6.038 -2.844 22.863 763 HD3 PRO 98 HD1 PRO 98 -5.178 -4.300 22.323 764 H LEU 99 HN LEU 99 -10.509 -6.202 22.538 765 HA LEU 99 HA LEU 99 -12.025 -3.725 22.609 766 HB2 LEU 99 HB2 LEU 99 -12.884 -6.574 23.188 767 HB3 LEU 99 HB1 LEU 99 -13.975 -5.209 22.946 768 HG LEU 99 HG LEU 99 -11.979 -6.229 20.900 769 HD11 LEU 99 HD11 LEU 99 -13.979 -7.038 19.703 770 HD12 LEU 99 HD12 LEU 99 -14.999 -6.490 21.033 771 HD13 LEU 99 HD13 LEU 99 -13.843 -7.798 21.289 772 HD21 LEU 99 HD21 LEU 99 -12.278 -3.975 20.337 773 HD22 LEU 99 HD22 LEU 99 -13.924 -3.925 20.971 774 HD23 LEU 99 HD23 LEU 99 -13.592 -4.723 19.435 775 H GLU 100 HN GLU 100 -13.216 -2.883 24.335 776 HA GLU 100 HA GLU 100 -13.627 -2.260 26.543 777 HB2 GLU 100 HB2 GLU 100 -14.332 -4.710 26.668 778 HB3 GLU 100 HB1 GLU 100 -12.730 -5.040 27.333 779 HG2 GLU 100 HG2 GLU 100 -13.128 -3.488 29.177 780 HG3 GLU 100 HG1 GLU 100 -14.691 -3.045 28.497 781 H HIS 101 HN HIS 101 -11.393 -1.182 25.770 782 HA HIS 101 HA HIS 101 -9.243 -1.925 27.723 783 HB2 HIS 101 HB2 HIS 101 -8.583 -1.859 25.329 784 HB3 HIS 101 HB1 HIS 101 -9.099 -0.174 25.248 785 HD1 HIS 101 HD1 HIS 101 -7.644 1.589 26.473 786 HD2 HIS 101 HD2 HIS 101 -6.155 -2.294 26.756 787 HE1 HIS 101 HE1 HIS 101 -5.289 1.790 27.384 788 H HIS 102 HN HIS 102 -9.710 -0.808 29.574 789 HA HIS 102 HA HIS 102 -10.278 0.992 30.982 790 HB2 HIS 102 HB2 HIS 102 -7.923 1.485 30.224 791 HB3 HIS 102 HB1 HIS 102 -8.606 2.533 28.979 792 HD1 HIS 102 HD1 HIS 102 -9.711 4.752 29.748 793 HD2 HIS 102 HD2 HIS 102 -8.143 2.497 32.885 794 HE1 HIS 102 HE1 HIS 102 -9.701 6.262 31.781 795 H HIS 103 HN HIS 103 -12.556 0.828 30.071 796 HA HIS 103 HA HIS 103 -13.351 3.490 29.041 797 HB2 HIS 103 HB2 HIS 103 -13.052 1.958 27.049 798 HB3 HIS 103 HB1 HIS 103 -14.338 0.950 27.715 799 HD1 HIS 103 HD1 HIS 103 -13.845 4.656 26.901 800 HD2 HIS 103 HD2 HIS 103 -16.817 1.733 26.807 801 HE1 HIS 103 HE1 HIS 103 -15.903 5.757 25.918 802 H HIS 104 HN HIS 104 -15.276 4.139 29.894 803 HA HIS 104 HA HIS 104 -17.368 2.373 30.766 804 HB2 HIS 104 HB2 HIS 104 -15.732 1.888 32.578 805 HB3 HIS 104 HB1 HIS 104 -15.686 3.608 32.974 806 HD1 HIS 104 HD1 HIS 104 -18.201 0.749 32.777 807 HD2 HIS 104 HD2 HIS 104 -17.710 4.417 34.697 808 HE1 HIS 104 HE1 HIS 104 -20.135 0.974 34.397 809 H HIS 105 HN HIS 105 -17.319 4.586 29.153 810 HA HIS 105 HA HIS 105 -18.223 6.726 28.836 811 HB2 HIS 105 HB2 HIS 105 -20.250 5.424 29.426 812 HB3 HIS 105 HB1 HIS 105 -19.986 5.812 31.128 813 HD1 HIS 105 HD1 HIS 105 -20.319 7.730 27.836 814 HD2 HIS 105 HD2 HIS 105 -21.297 8.123 31.870 815 HE1 HIS 105 HE1 HIS 105 -21.607 9.899 28.053 816 H HIS 106 HN HIS 106 -16.182 6.183 31.161 817 HA HIS 106 HA HIS 106 -16.307 8.967 32.193 818 HB2 HIS 106 HB2 HIS 106 -16.165 6.496 33.952 819 HB3 HIS 106 HB1 HIS 106 -15.830 8.134 34.515 820 HD1 HIS 106 HD1 HIS 106 -18.619 5.887 33.427 821 HD2 HIS 106 HD2 HIS 106 -18.127 9.830 34.686 822 HE1 HIS 106 HE1 HIS 106 -20.940 6.785 33.891 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 -9.807 0.432 -4.809 2 H2 SER 1 HT2 SER 1 -11.473 0.656 -4.569 3 H3 SER 1 HT3 SER 1 -10.799 -0.901 -4.476 4 HA SER 1 HA SER 1 -9.515 0.886 -2.665 5 HB2 SER 1 HB2 SER 1 -11.430 1.180 -1.155 6 HB3 SER 1 HB1 SER 1 -11.750 1.961 -2.699 7 HG SER 1 HG SER 1 -12.651 -0.337 -3.143 8 H ASP 2 HN ASP 2 -10.428 -1.990 -3.925 9 HA ASP 2 HA ASP 2 -10.654 -3.550 -1.465 10 HB2 ASP 2 HB2 ASP 2 -10.708 -5.488 -2.966 11 HB3 ASP 2 HB1 ASP 2 -11.811 -4.237 -3.538 12 H LEU 3 HN LEU 3 -9.135 -5.516 -1.248 13 HA LEU 3 HA LEU 3 -6.424 -4.492 -0.999 14 HB2 LEU 3 HB2 LEU 3 -7.349 -5.961 0.715 15 HB3 LEU 3 HB1 LEU 3 -7.629 -7.227 -0.478 16 HG LEU 3 HG LEU 3 -5.221 -7.456 -0.856 17 HD11 LEU 3 HD11 LEU 3 -4.276 -5.328 -0.589 18 HD12 LEU 3 HD12 LEU 3 -3.747 -6.143 0.879 19 HD13 LEU 3 HD13 LEU 3 -5.115 -5.031 0.933 20 HD21 LEU 3 HD21 LEU 3 -5.809 -7.378 2.116 21 HD22 LEU 3 HD22 LEU 3 -4.618 -8.391 1.299 22 HD23 LEU 3 HD23 LEU 3 -6.341 -8.667 1.036 23 H VAL 4 HN VAL 4 -4.849 -4.660 -2.523 24 HA VAL 4 HA VAL 4 -4.948 -6.946 -4.453 25 HB VAL 4 HB VAL 4 -4.364 -5.403 -6.305 26 HG11 VAL 4 HG11 VAL 4 -6.925 -4.592 -4.899 27 HG12 VAL 4 HG12 VAL 4 -6.729 -6.098 -5.796 28 HG13 VAL 4 HG13 VAL 4 -6.608 -4.550 -6.634 29 HG21 VAL 4 HG21 VAL 4 -3.382 -3.555 -5.135 30 HG22 VAL 4 HG22 VAL 4 -4.826 -3.329 -4.148 31 HG23 VAL 4 HG23 VAL 4 -4.865 -2.943 -5.867 32 H LYS 5 HN LYS 5 -2.852 -7.271 -5.537 33 HA LYS 5 HA LYS 5 -0.668 -6.971 -3.634 34 HB2 LYS 5 HB2 LYS 5 -0.825 -8.160 -6.414 35 HB3 LYS 5 HB1 LYS 5 0.630 -8.196 -5.413 36 HG2 LYS 5 HG2 LYS 5 -0.628 -9.384 -3.642 37 HG3 LYS 5 HG1 LYS 5 -2.067 -9.364 -4.660 38 HD2 LYS 5 HD2 LYS 5 -0.915 -10.688 -6.365 39 HD3 LYS 5 HD1 LYS 5 0.566 -10.668 -5.408 40 HE2 LYS 5 HE2 LYS 5 -0.609 -12.784 -5.049 41 HE3 LYS 5 HE1 LYS 5 -0.643 -11.830 -3.567 42 HZ1 LYS 5 HZ1 LYS 5 -2.857 -10.989 -4.835 43 HZ2 LYS 5 HZ2 LYS 5 -2.830 -12.210 -3.654 44 HZ3 LYS 5 HZ3 LYS 5 -2.810 -12.619 -5.303 45 H ILE 6 HN ILE 6 1.334 -5.893 -4.055 46 HA ILE 6 HA ILE 6 1.130 -3.286 -5.198 47 HB ILE 6 HB ILE 6 3.538 -4.991 -4.492 48 HG12 ILE 6 HG12 ILE 6 2.322 -2.623 -3.039 49 HG13 ILE 6 HG11 ILE 6 1.899 -4.297 -2.677 50 HG21 ILE 6 HG21 ILE 6 3.312 -2.115 -5.392 51 HG22 ILE 6 HG22 ILE 6 4.381 -3.374 -6.011 52 HG23 ILE 6 HG23 ILE 6 4.671 -2.677 -4.419 53 HD11 ILE 6 HD11 ILE 6 4.336 -4.765 -2.284 54 HD12 ILE 6 HD12 ILE 6 3.650 -3.608 -1.144 55 HD13 ILE 6 HD13 ILE 6 4.651 -3.041 -2.481 56 H ARG 7 HN ARG 7 2.565 -6.300 -6.465 57 HA ARG 7 HA ARG 7 3.526 -5.128 -8.909 58 HB2 ARG 7 HB2 ARG 7 2.813 -7.980 -8.175 59 HB3 ARG 7 HB1 ARG 7 3.570 -7.523 -9.700 60 HG2 ARG 7 HG2 ARG 7 5.479 -6.557 -8.489 61 HG3 ARG 7 HG1 ARG 7 4.716 -6.957 -6.949 62 HD2 ARG 7 HD2 ARG 7 5.401 -9.024 -9.056 63 HD3 ARG 7 HD1 ARG 7 6.461 -8.624 -7.705 64 HE ARG 7 HE ARG 7 3.897 -9.226 -6.641 65 HH11 ARG 7 HH21 ARG 7 6.511 -10.704 -8.344 66 HH12 ARG 7 HH22 ARG 7 6.221 -12.279 -7.682 67 HH21 ARG 7 HH11 ARG 7 3.511 -11.273 -5.771 68 HH22 ARG 7 HH12 ARG 7 4.525 -12.601 -6.228 69 H ASP 8 HN ASP 8 0.383 -6.028 -7.817 70 HA ASP 8 HA ASP 8 -0.727 -6.289 -10.550 71 HB2 ASP 8 HB2 ASP 8 -1.949 -6.415 -7.781 72 HB3 ASP 8 HB1 ASP 8 -2.899 -6.534 -9.261 73 H VAL 9 HN VAL 9 -0.222 -3.864 -8.145 74 HA VAL 9 HA VAL 9 -2.359 -2.099 -8.553 75 HB VAL 9 HB VAL 9 0.572 -1.538 -8.041 76 HG11 VAL 9 HG11 VAL 9 -1.775 0.361 -8.259 77 HG12 VAL 9 HG12 VAL 9 -0.185 0.500 -9.010 78 HG13 VAL 9 HG13 VAL 9 -0.364 0.748 -7.275 79 HG21 VAL 9 HG21 VAL 9 -0.165 -1.219 -5.770 80 HG22 VAL 9 HG22 VAL 9 -0.868 -2.731 -6.332 81 HG23 VAL 9 HG23 VAL 9 -1.858 -1.280 -6.251 82 H SER 10 HN SER 10 -2.986 -0.736 -10.154 83 HA SER 10 HA SER 10 -1.146 0.023 -12.318 84 HB2 SER 10 HB2 SER 10 -2.787 -0.803 -14.066 85 HB3 SER 10 HB1 SER 10 -1.910 -2.076 -13.220 86 HG SER 10 HG SER 10 -4.242 -2.366 -13.402 87 H LEU 11 HN LEU 11 -2.297 1.548 -13.847 88 HA LEU 11 HA LEU 11 -3.716 3.554 -12.337 89 HB2 LEU 11 HB2 LEU 11 -3.008 3.154 -15.239 90 HB3 LEU 11 HB1 LEU 11 -4.027 4.504 -14.755 91 HG LEU 11 HG LEU 11 -1.554 5.033 -14.880 92 HD11 LEU 11 HD11 LEU 11 -3.368 6.094 -13.215 93 HD12 LEU 11 HD12 LEU 11 -1.672 6.549 -13.149 94 HD13 LEU 11 HD13 LEU 11 -2.310 5.379 -11.999 95 HD21 LEU 11 HD21 LEU 11 -1.355 3.381 -12.351 96 HD22 LEU 11 HD22 LEU 11 -0.047 4.123 -13.265 97 HD23 LEU 11 HD23 LEU 11 -0.917 2.749 -13.937 98 H SER 12 HN SER 12 -4.740 0.720 -13.920 99 HA SER 12 HA SER 12 -7.317 1.489 -14.862 100 HB2 SER 12 HB2 SER 12 -7.882 -0.908 -14.600 101 HB3 SER 12 HB1 SER 12 -6.308 -0.697 -15.363 102 HG SER 12 HG SER 12 -6.603 -0.969 -12.566 103 H THR 13 HN THR 13 -6.080 0.768 -11.651 104 HA THR 13 HA THR 13 -8.788 1.403 -10.504 105 HB THR 13 HB THR 13 -8.451 -0.851 -9.948 106 HG1 THR 13 HG1 THR 13 -8.517 -0.621 -7.866 107 HG21 THR 13 HG21 THR 13 -5.547 -0.124 -9.478 108 HG22 THR 13 HG22 THR 13 -6.192 -1.132 -10.772 109 HG23 THR 13 HG23 THR 13 -6.247 -1.699 -9.103 110 HA PRO 14 HA PRO 14 -5.797 4.807 -9.406 111 HB2 PRO 14 HB2 PRO 14 -8.473 6.015 -8.758 112 HB3 PRO 14 HB1 PRO 14 -7.091 6.730 -9.613 113 HG2 PRO 14 HG2 PRO 14 -9.254 5.911 -10.932 114 HG3 PRO 14 HG1 PRO 14 -7.628 5.704 -11.613 115 HD2 PRO 14 HD2 PRO 14 -9.434 3.649 -10.393 116 HD3 PRO 14 HD1 PRO 14 -8.253 3.472 -11.711 117 H TYR 15 HN TYR 15 -8.664 3.684 -7.603 118 HA TYR 15 HA TYR 15 -7.260 4.332 -5.041 119 HB2 TYR 15 HB2 TYR 15 -10.171 3.769 -5.653 120 HB3 TYR 15 HB1 TYR 15 -9.524 4.023 -4.033 121 HD1 TYR 15 HD2 TYR 15 -7.948 6.191 -3.824 122 HD2 TYR 15 HD1 TYR 15 -11.039 5.645 -6.760 123 HE1 TYR 15 HE2 TYR 15 -8.083 8.645 -4.139 124 HE2 TYR 15 HE1 TYR 15 -11.175 8.100 -7.071 125 HH TYR 15 HH TYR 15 -10.566 10.190 -5.455 126 H VAL 16 HN VAL 16 -6.554 2.695 -3.770 127 HA VAL 16 HA VAL 16 -7.794 0.021 -3.955 128 HB VAL 16 HB VAL 16 -5.526 -1.055 -4.306 129 HG11 VAL 16 HG11 VAL 16 -5.648 -0.902 -6.690 130 HG12 VAL 16 HG12 VAL 16 -6.358 0.708 -6.614 131 HG13 VAL 16 HG13 VAL 16 -7.297 -0.697 -6.101 132 HG21 VAL 16 HG21 VAL 16 -4.815 1.798 -5.053 133 HG22 VAL 16 HG22 VAL 16 -3.820 0.393 -5.426 134 HG23 VAL 16 HG23 VAL 16 -4.110 0.847 -3.746 135 H SER 17 HN SER 17 -6.258 -1.497 -2.455 136 HA SER 17 HA SER 17 -5.383 0.085 -0.075 137 HB2 SER 17 HB2 SER 17 -7.201 -2.336 0.045 138 HB3 SER 17 HB1 SER 17 -6.607 -1.399 1.414 139 HG SER 17 HG SER 17 -8.497 -0.454 1.040 140 H VAL 18 HN VAL 18 -3.574 -0.768 0.898 141 HA VAL 18 HA VAL 18 -2.738 -3.541 0.181 142 HB VAL 18 HB VAL 18 -0.420 -2.714 -0.231 143 HG11 VAL 18 HG11 VAL 18 -2.403 -1.360 -2.070 144 HG12 VAL 18 HG12 VAL 18 -2.166 -3.108 -2.049 145 HG13 VAL 18 HG13 VAL 18 -0.831 -2.041 -2.488 146 HG21 VAL 18 HG21 VAL 18 -0.305 -0.209 -0.818 147 HG22 VAL 18 HG22 VAL 18 -0.366 -0.618 0.895 148 HG23 VAL 18 HG23 VAL 18 -1.816 -0.046 0.073 149 H ILE 19 HN ILE 19 -1.007 -4.332 1.601 150 HA ILE 19 HA ILE 19 -0.864 -2.907 4.236 151 HB ILE 19 HB ILE 19 -1.366 -5.856 3.732 152 HG12 ILE 19 HG12 ILE 19 -2.980 -3.885 5.355 153 HG13 ILE 19 HG11 ILE 19 -3.282 -4.132 3.634 154 HG21 ILE 19 HG21 ILE 19 -1.470 -5.846 6.314 155 HG22 ILE 19 HG22 ILE 19 -0.598 -4.315 6.218 156 HG23 ILE 19 HG23 ILE 19 0.131 -5.789 5.575 157 HD11 ILE 19 HD11 ILE 19 -3.533 -6.602 4.143 158 HD12 ILE 19 HD12 ILE 19 -4.785 -5.575 4.834 159 HD13 ILE 19 HD13 ILE 19 -3.481 -6.181 5.855 160 H GLY 20 HN GLY 20 1.208 -2.761 5.021 161 HA2 GLY 20 HA2 GLY 20 3.218 -4.745 4.618 162 HA3 GLY 20 HA1 GLY 20 3.416 -3.509 3.376 163 H LYS 21 HN LYS 21 5.540 -3.273 4.592 164 HA LYS 21 HA LYS 21 5.216 -1.525 7.022 165 HB2 LYS 21 HB2 LYS 21 7.641 -3.089 6.084 166 HB3 LYS 21 HB1 LYS 21 7.488 -2.177 7.588 167 HG2 LYS 21 HG2 LYS 21 5.742 -3.652 8.377 168 HG3 LYS 21 HG1 LYS 21 5.681 -4.483 6.832 169 HD2 LYS 21 HD2 LYS 21 6.952 -5.838 8.399 170 HD3 LYS 21 HD1 LYS 21 8.040 -5.212 7.163 171 HE2 LYS 21 HE2 LYS 21 8.966 -3.601 8.633 172 HE3 LYS 21 HE1 LYS 21 7.639 -3.764 9.783 173 HZ1 LYS 21 HZ1 LYS 21 8.386 -6.069 10.165 174 HZ2 LYS 21 HZ2 LYS 21 9.545 -4.912 10.614 175 HZ3 LYS 21 HZ3 LYS 21 9.724 -5.782 9.165 176 H ILE 22 HN ILE 22 6.046 0.530 6.939 177 HA ILE 22 HA ILE 22 7.121 1.452 4.318 178 HB ILE 22 HB ILE 22 6.026 2.930 6.726 179 HG12 ILE 22 HG12 ILE 22 4.267 3.576 5.068 180 HG13 ILE 22 HG11 ILE 22 5.025 2.509 3.891 181 HG21 ILE 22 HG21 ILE 22 7.692 4.371 5.827 182 HG22 ILE 22 HG22 ILE 22 6.178 4.917 5.108 183 HG23 ILE 22 HG23 ILE 22 7.293 3.927 4.168 184 HD11 ILE 22 HD11 ILE 22 4.312 1.353 6.566 185 HD12 ILE 22 HD12 ILE 22 4.325 0.590 4.977 186 HD13 ILE 22 HD13 ILE 22 3.011 1.671 5.422 187 H THR 23 HN THR 23 9.230 2.024 4.097 188 HA THR 23 HA THR 23 10.863 2.538 6.550 189 HB THR 23 HB THR 23 12.705 1.249 5.566 190 HG1 THR 23 HG1 THR 23 11.853 -0.174 3.751 191 HG21 THR 23 HG21 THR 23 10.092 -0.272 5.749 192 HG22 THR 23 HG22 THR 23 11.184 0.092 7.086 193 HG23 THR 23 HG23 THR 23 11.693 -1.007 5.804 194 H GLY 24 HN GLY 24 12.839 3.775 6.090 195 HA2 GLY 24 HA2 GLY 24 14.192 5.158 4.621 196 HA3 GLY 24 HA1 GLY 24 12.844 5.239 3.487 197 H ILE 25 HN ILE 25 10.889 6.430 4.280 198 HA ILE 25 HA ILE 25 9.922 8.405 5.059 199 HB ILE 25 HB ILE 25 11.813 8.046 7.401 200 HG12 ILE 25 HG12 ILE 25 10.585 5.976 7.038 201 HG13 ILE 25 HG11 ILE 25 9.891 6.808 8.427 202 HG21 ILE 25 HG21 ILE 25 9.258 9.594 6.962 203 HG22 ILE 25 HG22 ILE 25 10.807 10.184 7.567 204 HG23 ILE 25 HG23 ILE 25 9.803 9.145 8.579 205 HD11 ILE 25 HD11 ILE 25 7.973 6.226 7.230 206 HD12 ILE 25 HD12 ILE 25 8.755 6.457 5.668 207 HD13 ILE 25 HD13 ILE 25 8.267 7.853 6.621 208 H HIS 26 HN HIS 26 10.293 10.282 4.124 209 HA HIS 26 HA HIS 26 12.815 11.744 4.662 210 HB2 HIS 26 HB2 HIS 26 11.775 11.093 1.884 211 HB3 HIS 26 HB1 HIS 26 13.056 12.259 2.226 212 HD1 HIS 26 HD1 HIS 26 12.292 8.564 2.438 213 HD2 HIS 26 HD2 HIS 26 15.562 11.121 2.810 214 HE1 HIS 26 HE1 HIS 26 14.345 7.087 2.559 215 H LYS 27 HN LYS 27 12.489 13.980 4.665 216 HA LYS 27 HA LYS 27 9.647 14.850 4.429 217 HB2 LYS 27 HB2 LYS 27 10.901 15.336 6.522 218 HB3 LYS 27 HB1 LYS 27 12.041 16.302 5.586 219 HG2 LYS 27 HG2 LYS 27 10.240 17.802 4.880 220 HG3 LYS 27 HG1 LYS 27 9.055 16.814 5.735 221 HD2 LYS 27 HD2 LYS 27 10.211 17.286 7.870 222 HD3 LYS 27 HD1 LYS 27 11.379 18.290 7.011 223 HE2 LYS 27 HE2 LYS 27 9.806 19.851 7.816 224 HE3 LYS 27 HE1 LYS 27 9.305 19.594 6.144 225 HZ1 LYS 27 HZ1 LYS 27 7.965 18.890 8.597 226 HZ2 LYS 27 HZ2 LYS 27 7.997 17.638 7.449 227 HZ3 LYS 27 HZ3 LYS 27 7.327 19.148 7.047 228 H LYS 28 HN LYS 28 9.002 16.113 2.764 229 HA LYS 28 HA LYS 28 11.012 17.716 1.261 230 HB2 LYS 28 HB2 LYS 28 9.111 15.681 0.063 231 HB3 LYS 28 HB1 LYS 28 9.933 16.924 -0.884 232 HG2 LYS 28 HG2 LYS 28 12.115 16.070 -0.107 233 HG3 LYS 28 HG1 LYS 28 11.291 14.817 0.824 234 HD2 LYS 28 HD2 LYS 28 10.333 13.887 -1.229 235 HD3 LYS 28 HD1 LYS 28 11.087 15.169 -2.180 236 HE2 LYS 28 HE2 LYS 28 12.460 13.150 -2.305 237 HE3 LYS 28 HE1 LYS 28 13.318 14.395 -1.396 238 HZ1 LYS 28 HZ1 LYS 28 13.135 13.257 0.521 239 HZ2 LYS 28 HZ2 LYS 28 12.995 11.917 -0.515 240 HZ3 LYS 28 HZ3 LYS 28 11.603 12.631 0.149 241 H GLU 29 HN GLU 29 9.938 19.381 -0.084 242 HA GLU 29 HA GLU 29 7.192 20.070 0.932 243 HB2 GLU 29 HB2 GLU 29 9.548 21.880 0.314 244 HB3 GLU 29 HB1 GLU 29 7.916 22.454 0.650 245 HG2 GLU 29 HG2 GLU 29 8.927 22.568 2.768 246 HG3 GLU 29 HG1 GLU 29 8.108 21.011 2.831 247 H TYR 30 HN TYR 30 5.715 20.778 -0.585 248 HA TYR 30 HA TYR 30 6.641 21.157 -3.392 249 HB2 TYR 30 HB2 TYR 30 5.004 19.611 -4.267 250 HB3 TYR 30 HB1 TYR 30 5.957 18.747 -3.066 251 HD1 TYR 30 HD1 TYR 30 4.990 18.898 -0.566 252 HD2 TYR 30 HD2 TYR 30 2.673 19.442 -4.146 253 HE1 TYR 30 HE1 TYR 30 2.919 18.353 0.686 254 HE2 TYR 30 HE2 TYR 30 0.608 18.891 -2.892 255 HH TYR 30 HH TYR 30 -0.270 18.537 -0.865 256 H GLU 31 HN GLU 31 4.948 22.215 -4.713 257 HA GLU 31 HA GLU 31 3.418 24.131 -3.060 258 HB2 GLU 31 HB2 GLU 31 4.003 23.950 -6.025 259 HB3 GLU 31 HB1 GLU 31 2.998 25.211 -5.304 260 HG2 GLU 31 HG2 GLU 31 4.864 25.889 -3.853 261 HG3 GLU 31 HG1 GLU 31 5.868 24.610 -4.535 262 H SER 32 HN SER 32 1.385 23.592 -2.492 263 HA SER 32 HA SER 32 -0.250 21.900 -4.356 264 HB2 SER 32 HB2 SER 32 0.285 21.120 -1.954 265 HB3 SER 32 HB1 SER 32 -0.828 22.378 -1.429 266 HG SER 32 HG SER 32 -2.087 21.195 -3.337 267 H ASP 33 HN ASP 33 -1.636 23.118 -5.500 268 HA ASP 33 HA ASP 33 -3.122 24.822 -6.086 269 HB2 ASP 33 HB2 ASP 33 -3.734 24.475 -3.142 270 HB3 ASP 33 HB1 ASP 33 -4.663 25.548 -4.190 271 H GLY 34 HN GLY 34 -0.381 25.566 -5.326 272 HA2 GLY 34 HA2 GLY 34 0.668 27.699 -5.423 273 HA3 GLY 34 HA1 GLY 34 -0.872 28.453 -5.014 274 H THR 35 HN THR 35 -0.437 25.960 -2.849 275 HA THR 35 HA THR 35 0.878 27.791 -0.854 276 HB THR 35 HB THR 35 -1.234 25.674 -0.352 277 HG1 THR 35 HG1 THR 35 -2.450 27.624 0.156 278 HG21 THR 35 HG21 THR 35 0.250 25.945 1.548 279 HG22 THR 35 HG22 THR 35 -1.264 26.775 1.907 280 HG23 THR 35 HG23 THR 35 0.155 27.701 1.421 281 H THR 36 HN THR 36 2.699 27.037 0.038 282 HA THR 36 HA THR 36 3.855 24.537 -0.770 283 HB THR 36 HB THR 36 4.646 26.287 1.568 284 HG1 THR 36 HG1 THR 36 5.054 27.687 0.079 285 HG21 THR 36 HG21 THR 36 5.793 24.156 1.573 286 HG22 THR 36 HG22 THR 36 6.917 25.386 0.995 287 HG23 THR 36 HG23 THR 36 6.142 24.293 -0.152 288 H LYS 37 HN LYS 37 3.610 22.543 0.108 289 HA LYS 37 HA LYS 37 2.645 22.302 2.926 290 HB2 LYS 37 HB2 LYS 37 1.620 20.811 0.493 291 HB3 LYS 37 HB1 LYS 37 1.233 20.371 2.155 292 HG2 LYS 37 HG2 LYS 37 0.702 23.142 1.070 293 HG3 LYS 37 HG1 LYS 37 -0.476 21.843 0.913 294 HD2 LYS 37 HD2 LYS 37 -0.359 21.546 3.420 295 HD3 LYS 37 HD1 LYS 37 0.627 23.000 3.492 296 HE2 LYS 37 HE2 LYS 37 -1.148 24.317 2.472 297 HE3 LYS 37 HE1 LYS 37 -2.145 22.871 2.302 298 HZ1 LYS 37 HZ1 LYS 37 -1.116 23.364 4.961 299 HZ2 LYS 37 HZ2 LYS 37 -2.662 22.861 4.468 300 HZ3 LYS 37 HZ3 LYS 37 -2.242 24.507 4.407 301 H SER 38 HN SER 38 3.454 20.552 4.055 302 HA SER 38 HA SER 38 5.951 19.458 3.001 303 HB2 SER 38 HB2 SER 38 4.564 18.730 5.586 304 HB3 SER 38 HB1 SER 38 6.278 18.588 5.203 305 HG SER 38 HG SER 38 4.737 20.959 5.476 306 H VAL 39 HN VAL 39 6.345 17.304 2.472 307 HA VAL 39 HA VAL 39 4.043 15.401 2.572 308 HB VAL 39 HB VAL 39 4.182 16.433 0.295 309 HG11 VAL 39 HG11 VAL 39 6.680 16.756 0.375 310 HG12 VAL 39 HG12 VAL 39 6.089 16.028 -1.115 311 HG13 VAL 39 HG13 VAL 39 6.852 15.022 0.115 312 HG21 VAL 39 HG21 VAL 39 4.238 14.274 -0.924 313 HG22 VAL 39 HG22 VAL 39 3.314 14.161 0.574 314 HG23 VAL 39 HG23 VAL 39 4.951 13.508 0.495 315 H TYR 40 HN TYR 40 4.654 13.331 3.082 316 HA TYR 40 HA TYR 40 7.561 12.883 3.634 317 HB2 TYR 40 HB2 TYR 40 5.051 11.544 4.680 318 HB3 TYR 40 HB1 TYR 40 6.689 11.002 5.055 319 HD1 TYR 40 HD1 TYR 40 4.259 13.769 5.440 320 HD2 TYR 40 HD2 TYR 40 8.117 12.241 6.548 321 HE1 TYR 40 HE1 TYR 40 4.428 15.486 7.223 322 HE2 TYR 40 HE2 TYR 40 8.287 13.956 8.329 323 HH TYR 40 HH TYR 40 6.277 16.642 8.490 324 H GLN 41 HN GLN 41 8.650 11.400 2.429 325 HA GLN 41 HA GLN 41 7.066 9.521 0.700 326 HB2 GLN 41 HB2 GLN 41 9.593 11.065 0.065 327 HB3 GLN 41 HB1 GLN 41 8.967 9.749 -0.931 328 HG2 GLN 41 HG2 GLN 41 6.859 10.966 -1.252 329 HG3 GLN 41 HG1 GLN 41 7.441 12.269 -0.215 330 HE21 GLN 41 HE21 GLN 41 6.890 13.356 -2.519 331 HE22 GLN 41 HE22 GLN 41 8.223 13.510 -3.559 332 H GLY 42 HN GLY 42 8.104 7.489 0.266 333 HA2 GLY 42 HA2 GLY 42 10.599 6.732 1.447 334 HA3 GLY 42 HA1 GLY 42 9.276 6.257 2.513 335 H TYR 43 HN TYR 43 9.958 4.018 2.022 336 HA TYR 43 HA TYR 43 8.817 3.052 -0.582 337 HB2 TYR 43 HB2 TYR 43 11.294 2.105 0.884 338 HB3 TYR 43 HB1 TYR 43 10.544 1.229 -0.453 339 HD1 TYR 43 HD1 TYR 43 12.362 4.291 0.520 340 HD2 TYR 43 HD2 TYR 43 10.624 2.075 -2.722 341 HE1 TYR 43 HE1 TYR 43 13.537 5.749 -1.107 342 HE2 TYR 43 HE2 TYR 43 11.799 3.530 -4.349 343 HH TYR 43 HH TYR 43 13.231 6.456 -3.495 344 H ILE 44 HN ILE 44 7.485 1.282 -0.437 345 HA ILE 44 HA ILE 44 7.034 0.129 2.303 346 HB ILE 44 HB ILE 44 5.131 1.510 1.408 347 HG12 ILE 44 HG12 ILE 44 4.451 -1.441 1.491 348 HG13 ILE 44 HG11 ILE 44 4.886 -0.525 2.936 349 HG21 ILE 44 HG21 ILE 44 3.933 0.825 -0.535 350 HG22 ILE 44 HG22 ILE 44 4.808 -0.703 -0.630 351 HG23 ILE 44 HG23 ILE 44 5.632 0.809 -1.009 352 HD11 ILE 44 HD11 ILE 44 2.465 -0.540 2.732 353 HD12 ILE 44 HD12 ILE 44 2.567 0.034 1.067 354 HD13 ILE 44 HD13 ILE 44 3.047 1.090 2.395 355 H GLU 45 HN GLU 45 7.146 -2.100 2.438 356 HA GLU 45 HA GLU 45 7.309 -3.639 -0.138 357 HB2 GLU 45 HB2 GLU 45 9.603 -3.200 0.713 358 HB3 GLU 45 HB1 GLU 45 9.165 -3.968 2.239 359 HG2 GLU 45 HG2 GLU 45 8.700 -6.079 1.078 360 HG3 GLU 45 HG1 GLU 45 9.051 -5.321 -0.475 361 H ASP 46 HN ASP 46 6.649 -5.822 0.015 362 HA ASP 46 HA ASP 46 5.533 -6.745 2.610 363 HB2 ASP 46 HB2 ASP 46 3.367 -7.286 1.603 364 HB3 ASP 46 HB1 ASP 46 3.685 -5.560 1.424 365 H ASP 47 HN ASP 47 4.082 -8.896 1.175 366 HA ASP 47 HA ASP 47 6.392 -10.685 0.797 367 HB2 ASP 47 HB2 ASP 47 4.612 -12.443 0.598 368 HB3 ASP 47 HB1 ASP 47 4.535 -11.525 2.102 369 H THR 48 HN THR 48 4.743 -8.603 -1.199 370 HA THR 48 HA THR 48 4.943 -10.378 -3.604 371 HB THR 48 HB THR 48 3.640 -8.600 -4.729 372 HG1 THR 48 HG1 THR 48 3.616 -6.722 -3.841 373 HG21 THR 48 HG21 THR 48 2.259 -10.274 -3.794 374 HG22 THR 48 HG22 THR 48 1.574 -8.768 -3.184 375 HG23 THR 48 HG23 THR 48 2.597 -9.753 -2.143 376 H ALA 49 HN ALA 49 5.571 -6.915 -2.866 377 HA ALA 49 HA ALA 49 8.319 -7.107 -3.784 378 HB1 ALA 49 HB1 ALA 49 8.131 -5.831 -5.815 379 HB2 ALA 49 HB2 ALA 49 6.411 -5.543 -5.544 380 HB3 ALA 49 HB3 ALA 49 6.985 -7.165 -5.938 381 H ARG 50 HN ARG 50 8.277 -4.287 -4.749 382 HA ARG 50 HA ARG 50 7.432 -2.824 -2.303 383 HB2 ARG 50 HB2 ARG 50 9.605 -1.746 -2.079 384 HB3 ARG 50 HB1 ARG 50 9.818 -3.493 -2.002 385 HG2 ARG 50 HG2 ARG 50 10.376 -3.476 -4.449 386 HG3 ARG 50 HG1 ARG 50 10.313 -1.714 -4.408 387 HD2 ARG 50 HD2 ARG 50 12.117 -3.375 -2.628 388 HD3 ARG 50 HD1 ARG 50 12.636 -2.644 -4.146 389 HE ARG 50 HE ARG 50 11.483 -0.586 -2.580 390 HH11 ARG 50 HH21 ARG 50 14.137 -2.795 -2.530 391 HH12 ARG 50 HH22 ARG 50 15.165 -1.741 -1.617 392 HH21 ARG 50 HH11 ARG 50 12.815 0.796 -1.391 393 HH22 ARG 50 HH12 ARG 50 14.417 0.289 -0.972 394 H ILE 51 HN ILE 51 7.120 -0.551 -2.642 395 HA ILE 51 HA ILE 51 7.493 0.476 -5.393 396 HB ILE 51 HB ILE 51 5.282 -0.602 -5.471 397 HG12 ILE 51 HG12 ILE 51 4.931 2.396 -5.280 398 HG13 ILE 51 HG11 ILE 51 5.790 1.624 -6.614 399 HG21 ILE 51 HG21 ILE 51 3.490 0.090 -4.005 400 HG22 ILE 51 HG22 ILE 51 4.509 1.325 -3.266 401 HG23 ILE 51 HG23 ILE 51 4.859 -0.383 -2.997 402 HD11 ILE 51 HD11 ILE 51 3.306 2.085 -7.004 403 HD12 ILE 51 HD12 ILE 51 2.986 0.823 -5.814 404 HD13 ILE 51 HD13 ILE 51 3.840 0.432 -7.306 405 H ARG 52 HN ARG 52 7.139 2.817 -5.514 406 HA ARG 52 HA ARG 52 8.132 4.184 -3.163 407 HB2 ARG 52 HB2 ARG 52 7.027 5.224 -5.789 408 HB3 ARG 52 HB1 ARG 52 7.798 6.233 -4.566 409 HG2 ARG 52 HG2 ARG 52 9.865 4.933 -4.756 410 HG3 ARG 52 HG1 ARG 52 9.097 3.857 -5.923 411 HD2 ARG 52 HD2 ARG 52 10.445 5.507 -7.115 412 HD3 ARG 52 HD1 ARG 52 8.737 5.797 -7.435 413 HE ARG 52 HE ARG 52 8.867 7.816 -6.183 414 HH11 ARG 52 HH21 ARG 52 11.729 5.891 -5.941 415 HH12 ARG 52 HH22 ARG 52 12.662 7.146 -5.195 416 HH21 ARG 52 HH11 ARG 52 10.076 9.453 -5.214 417 HH22 ARG 52 HH12 ARG 52 11.727 9.159 -4.782 418 H ILE 53 HN ILE 53 7.011 5.658 -1.806 419 HA ILE 53 HA ILE 53 4.047 5.843 -2.167 420 HB ILE 53 HB ILE 53 3.729 5.435 0.252 421 HG12 ILE 53 HG12 ILE 53 6.658 4.627 0.214 422 HG13 ILE 53 HG11 ILE 53 6.037 6.097 0.958 423 HG21 ILE 53 HG21 ILE 53 3.881 3.069 0.122 424 HG22 ILE 53 HG22 ILE 53 5.267 3.139 -0.966 425 HG23 ILE 53 HG23 ILE 53 3.668 3.610 -1.542 426 HD11 ILE 53 HD11 ILE 53 6.212 3.507 2.121 427 HD12 ILE 53 HD12 ILE 53 4.494 3.853 1.934 428 HD13 ILE 53 HD13 ILE 53 5.528 4.961 2.835 429 H SER 54 HN SER 54 3.107 7.709 -1.275 430 HA SER 54 HA SER 54 4.921 9.714 -0.042 431 HB2 SER 54 HB2 SER 54 4.981 10.203 -2.445 432 HB3 SER 54 HB1 SER 54 3.221 10.206 -2.503 433 HG SER 54 HG SER 54 4.815 11.919 -0.886 434 H SER 55 HN SER 55 3.878 10.953 1.480 435 HA SER 55 HA SER 55 0.886 10.767 1.618 436 HB2 SER 55 HB2 SER 55 1.860 9.229 3.273 437 HB3 SER 55 HB1 SER 55 2.851 10.533 3.919 438 HG SER 55 HG SER 55 0.618 9.946 4.855 439 H PHE 56 HN PHE 56 -0.095 12.699 1.933 440 HA PHE 56 HA PHE 56 1.639 15.091 2.146 441 HB2 PHE 56 HB2 PHE 56 -1.334 14.829 1.634 442 HB3 PHE 56 HB1 PHE 56 -0.396 16.319 1.524 443 HD1 PHE 56 HD2 PHE 56 1.810 16.113 0.030 444 HD2 PHE 56 HD1 PHE 56 -1.658 13.608 -0.345 445 HE1 PHE 56 HE2 PHE 56 2.468 15.545 -2.292 446 HE2 PHE 56 HE1 PHE 56 -1.000 13.041 -2.665 447 HZ PHE 56 HZ PHE 56 1.064 14.008 -3.640 448 H GLY 57 HN GLY 57 1.942 16.114 4.042 449 HA2 GLY 57 HA2 GLY 57 1.439 17.063 6.137 450 HA3 GLY 57 HA1 GLY 57 -0.226 16.524 5.930 451 H LYS 58 HN LYS 58 -0.149 13.848 5.857 452 HA LYS 58 HA LYS 58 0.503 13.160 8.581 453 HB2 LYS 58 HB2 LYS 58 -0.387 11.510 6.208 454 HB3 LYS 58 HB1 LYS 58 -0.158 10.836 7.825 455 HG2 LYS 58 HG2 LYS 58 -1.758 12.485 8.734 456 HG3 LYS 58 HG1 LYS 58 -2.015 13.126 7.112 457 HD2 LYS 58 HD2 LYS 58 -2.519 10.245 7.916 458 HD3 LYS 58 HD1 LYS 58 -3.771 11.483 7.820 459 HE2 LYS 58 HE2 LYS 58 -3.963 10.551 5.702 460 HE3 LYS 58 HE1 LYS 58 -2.770 11.799 5.355 461 HZ1 LYS 58 HZ1 LYS 58 -1.239 9.766 6.226 462 HZ2 LYS 58 HZ2 LYS 58 -1.563 10.099 4.592 463 HZ3 LYS 58 HZ3 LYS 58 -2.477 8.930 5.422 464 H GLN 59 HN GLN 59 2.315 12.267 9.400 465 HA GLN 59 HA GLN 59 4.568 11.706 7.545 466 HB2 GLN 59 HB2 GLN 59 5.960 11.819 9.565 467 HB3 GLN 59 HB1 GLN 59 4.947 13.254 9.432 468 HG2 GLN 59 HG2 GLN 59 3.308 12.212 10.990 469 HG3 GLN 59 HG1 GLN 59 4.398 10.837 11.179 470 HE21 GLN 59 HE21 GLN 59 4.467 11.542 13.545 471 HE22 GLN 59 HE22 GLN 59 5.541 12.782 13.980 472 H LEU 60 HN LEU 60 5.825 9.757 7.789 473 HA LEU 60 HA LEU 60 4.342 7.467 9.051 474 HB2 LEU 60 HB2 LEU 60 5.998 7.441 6.509 475 HB3 LEU 60 HB1 LEU 60 5.142 6.069 7.207 476 HG LEU 60 HG LEU 60 3.829 8.636 6.268 477 HD11 LEU 60 HD11 LEU 60 2.984 7.223 4.406 478 HD12 LEU 60 HD12 LEU 60 3.977 5.889 4.990 479 HD13 LEU 60 HD13 LEU 60 4.742 7.358 4.387 480 HD21 LEU 60 HD21 LEU 60 2.388 7.718 7.897 481 HD22 LEU 60 HD22 LEU 60 2.808 6.058 7.472 482 HD23 LEU 60 HD23 LEU 60 1.780 7.011 6.404 483 H GLN 61 HN GLN 61 5.662 5.835 9.968 484 HA GLN 61 HA GLN 61 8.390 6.794 10.721 485 HB2 GLN 61 HB2 GLN 61 6.475 4.826 11.986 486 HB3 GLN 61 HB1 GLN 61 8.138 5.042 12.532 487 HG2 GLN 61 HG2 GLN 61 7.706 7.417 12.963 488 HG3 GLN 61 HG1 GLN 61 6.058 7.240 12.358 489 HE21 GLN 61 HE21 GLN 61 7.505 7.632 15.205 490 HE22 GLN 61 HE22 GLN 61 6.579 6.614 16.198 491 H ASP 62 HN ASP 62 10.091 5.173 10.876 492 HA ASP 62 HA ASP 62 10.331 3.621 8.496 493 HB2 ASP 62 HB2 ASP 62 12.242 4.600 9.737 494 HB3 ASP 62 HB1 ASP 62 11.973 3.430 11.030 495 H SER 63 HN SER 63 10.419 1.363 8.210 496 HA SER 63 HA SER 63 9.332 -0.728 8.393 497 HB2 SER 63 HB2 SER 63 10.141 -1.909 10.514 498 HB3 SER 63 HB1 SER 63 11.388 -1.256 9.458 499 HG SER 63 HG SER 63 10.310 -0.046 11.794 500 H ASP 64 HN ASP 64 7.485 1.290 9.012 501 HA ASP 64 HA ASP 64 6.143 0.466 11.530 502 HB2 ASP 64 HB2 ASP 64 6.314 2.879 10.745 503 HB3 ASP 64 HB1 ASP 64 5.148 2.466 9.489 504 H VAL 65 HN VAL 65 4.727 -1.190 11.511 505 HA VAL 65 HA VAL 65 3.717 -2.276 8.988 506 HB VAL 65 HB VAL 65 2.693 -3.105 11.708 507 HG11 VAL 65 HG11 VAL 65 2.609 -5.285 10.706 508 HG12 VAL 65 HG12 VAL 65 3.574 -4.759 9.327 509 HG13 VAL 65 HG13 VAL 65 1.928 -4.158 9.531 510 HG21 VAL 65 HG21 VAL 65 5.498 -3.439 10.653 511 HG22 VAL 65 HG22 VAL 65 4.797 -4.639 11.730 512 HG23 VAL 65 HG23 VAL 65 4.972 -2.970 12.264 513 H VAL 66 HN VAL 66 2.061 -1.159 8.003 514 HA VAL 66 HA VAL 66 -0.324 -0.481 9.670 515 HB VAL 66 HB VAL 66 -0.472 1.751 8.570 516 HG11 VAL 66 HG11 VAL 66 0.674 1.299 10.831 517 HG12 VAL 66 HG12 VAL 66 1.055 2.826 10.038 518 HG13 VAL 66 HG13 VAL 66 2.198 1.484 9.964 519 HG21 VAL 66 HG21 VAL 66 2.224 0.897 7.496 520 HG22 VAL 66 HG22 VAL 66 1.720 2.584 7.555 521 HG23 VAL 66 HG23 VAL 66 0.814 1.427 6.581 522 H ARG 67 HN ARG 67 -2.178 0.168 8.249 523 HA ARG 67 HA ARG 67 -2.126 -1.330 5.647 524 HB2 ARG 67 HB2 ARG 67 -3.544 -2.502 7.225 525 HB3 ARG 67 HB1 ARG 67 -4.349 -1.007 7.687 526 HG2 ARG 67 HG2 ARG 67 -5.336 -0.788 5.469 527 HG3 ARG 67 HG1 ARG 67 -4.427 -2.174 4.884 528 HD2 ARG 67 HD2 ARG 67 -6.477 -2.250 7.121 529 HD3 ARG 67 HD1 ARG 67 -6.780 -2.748 5.456 530 HE ARG 67 HE ARG 67 -4.542 -4.220 6.278 531 HH11 ARG 67 HH21 ARG 67 -7.814 -3.721 7.249 532 HH12 ARG 67 HH22 ARG 67 -8.006 -5.318 7.894 533 HH21 ARG 67 HH11 ARG 67 -4.775 -6.305 7.114 534 HH22 ARG 67 HH12 ARG 67 -6.285 -6.780 7.818 535 H ILE 68 HN ILE 68 -2.450 -0.026 3.923 536 HA ILE 68 HA ILE 68 -3.624 2.692 4.388 537 HB ILE 68 HB ILE 68 -2.087 1.641 1.989 538 HG12 ILE 68 HG12 ILE 68 -1.131 3.437 4.238 539 HG13 ILE 68 HG11 ILE 68 -0.772 1.714 4.144 540 HG21 ILE 68 HG21 ILE 68 -3.667 3.625 1.691 541 HG22 ILE 68 HG22 ILE 68 -1.979 3.950 1.313 542 HG23 ILE 68 HG23 ILE 68 -2.659 4.492 2.846 543 HD11 ILE 68 HD11 ILE 68 1.098 2.926 3.197 544 HD12 ILE 68 HD12 ILE 68 0.023 3.843 2.142 545 HD13 ILE 68 HD13 ILE 68 0.247 2.113 1.883 546 H ASP 69 HN ASP 69 -5.660 3.025 3.692 547 HA ASP 69 HA ASP 69 -6.821 1.132 1.663 548 HB2 ASP 69 HB2 ASP 69 -8.082 2.545 4.028 549 HB3 ASP 69 HB1 ASP 69 -9.020 1.765 2.753 550 H ASN 70 HN ASN 70 -7.883 2.015 -0.063 551 HA ASN 70 HA ASN 70 -8.600 3.611 -1.604 552 HB2 ASN 70 HB2 ASN 70 -9.909 4.391 0.470 553 HB3 ASN 70 HB1 ASN 70 -8.661 5.623 0.647 554 HD21 ASN 70 HD21 ASN 70 -9.885 7.467 0.017 555 HD22 ASN 70 HD22 ASN 70 -10.559 7.648 -1.530 556 H ALA 71 HN ALA 71 -5.805 3.178 -1.191 557 HA ALA 71 HA ALA 71 -4.407 5.719 -1.118 558 HB1 ALA 71 HB1 ALA 71 -3.380 3.160 -2.365 559 HB2 ALA 71 HB2 ALA 71 -3.444 3.386 -0.618 560 HB3 ALA 71 HB3 ALA 71 -2.450 4.453 -1.607 561 H ARG 72 HN ARG 72 -3.861 7.039 -2.847 562 HA ARG 72 HA ARG 72 -5.245 6.524 -5.393 563 HB2 ARG 72 HB2 ARG 72 -5.289 8.768 -4.350 564 HB3 ARG 72 HB1 ARG 72 -3.539 8.867 -4.511 565 HG2 ARG 72 HG2 ARG 72 -3.681 8.793 -6.921 566 HG3 ARG 72 HG1 ARG 72 -5.411 8.450 -6.855 567 HD2 ARG 72 HD2 ARG 72 -5.851 10.645 -5.879 568 HD3 ARG 72 HD1 ARG 72 -4.124 10.988 -5.802 569 HE ARG 72 HE ARG 72 -4.657 10.401 -8.493 570 HH11 ARG 72 HH21 ARG 72 -5.699 12.642 -6.083 571 HH12 ARG 72 HH22 ARG 72 -6.023 13.910 -7.219 572 HH21 ARG 72 HH11 ARG 72 -5.071 12.045 -9.980 573 HH22 ARG 72 HH12 ARG 72 -5.666 13.573 -9.423 574 H VAL 73 HN VAL 73 -4.266 5.482 -7.024 575 HA VAL 73 HA VAL 73 -1.376 4.988 -6.981 576 HB VAL 73 HB VAL 73 -3.535 4.205 -8.961 577 HG11 VAL 73 HG11 VAL 73 -1.750 2.511 -9.646 578 HG12 VAL 73 HG12 VAL 73 -0.600 3.497 -8.743 579 HG13 VAL 73 HG13 VAL 73 -1.450 4.180 -10.131 580 HG21 VAL 73 HG21 VAL 73 -2.079 2.479 -6.948 581 HG22 VAL 73 HG22 VAL 73 -3.534 2.086 -7.862 582 HG23 VAL 73 HG23 VAL 73 -3.602 3.284 -6.570 583 H ALA 74 HN ALA 74 0.126 6.064 -8.217 584 HA ALA 74 HA ALA 74 -0.843 7.851 -10.414 585 HB1 ALA 74 HB1 ALA 74 0.950 8.580 -8.084 586 HB2 ALA 74 HB2 ALA 74 -0.551 9.362 -8.579 587 HB3 ALA 74 HB3 ALA 74 0.896 9.525 -9.572 588 H GLN 75 HN GLN 75 0.789 8.302 -12.010 589 HA GLN 75 HA GLN 75 3.054 6.321 -12.009 590 HB2 GLN 75 HB2 GLN 75 1.289 5.951 -13.735 591 HB3 GLN 75 HB1 GLN 75 1.610 7.562 -14.370 592 HG2 GLN 75 HG2 GLN 75 3.874 6.966 -14.940 593 HG3 GLN 75 HG1 GLN 75 3.733 5.419 -14.105 594 HE21 GLN 75 HE21 GLN 75 2.073 3.858 -15.034 595 HE22 GLN 75 HE22 GLN 75 1.759 3.909 -16.700 596 H PHE 76 HN PHE 76 4.902 7.417 -11.531 597 HA PHE 76 HA PHE 76 5.303 10.141 -12.738 598 HB2 PHE 76 HB2 PHE 76 6.283 8.934 -10.140 599 HB3 PHE 76 HB1 PHE 76 6.977 10.401 -10.831 600 HD1 PHE 76 HD2 PHE 76 5.342 12.317 -11.444 601 HD2 PHE 76 HD1 PHE 76 4.318 9.062 -8.834 602 HE1 PHE 76 HE2 PHE 76 3.475 13.654 -10.509 603 HE2 PHE 76 HE1 PHE 76 2.449 10.400 -7.900 604 HZ PHE 76 HZ PHE 76 2.028 12.696 -8.737 605 H ASN 77 HN ASN 77 6.860 10.256 -14.228 606 HA ASN 77 HA ASN 77 8.661 9.672 -15.591 607 HB2 ASN 77 HB2 ASN 77 9.655 8.743 -12.887 608 HB3 ASN 77 HB1 ASN 77 10.659 8.737 -14.336 609 HD21 ASN 77 HD21 ASN 77 9.541 11.197 -15.497 610 HD22 ASN 77 HD22 ASN 77 10.068 12.486 -14.529 611 H GLY 78 HN GLY 78 6.459 7.761 -15.386 612 HA2 GLY 78 HA2 GLY 78 6.076 5.682 -16.443 613 HA3 GLY 78 HA1 GLY 78 7.820 5.496 -16.620 614 H TYR 79 HN TYR 79 7.234 6.285 -13.439 615 HA TYR 79 HA TYR 79 7.285 3.398 -12.629 616 HB2 TYR 79 HB2 TYR 79 8.412 5.872 -11.294 617 HB3 TYR 79 HB1 TYR 79 8.385 4.268 -10.555 618 HD1 TYR 79 HD1 TYR 79 9.612 2.370 -11.636 619 HD2 TYR 79 HD2 TYR 79 9.991 6.421 -13.013 620 HE1 TYR 79 HE1 TYR 79 11.668 1.756 -12.879 621 HE2 TYR 79 HE2 TYR 79 12.048 5.806 -14.255 622 HH TYR 79 HH TYR 79 12.941 2.627 -14.872 623 H LEU 80 HN LEU 80 5.710 2.658 -11.322 624 HA LEU 80 HA LEU 80 3.421 4.351 -10.740 625 HB2 LEU 80 HB2 LEU 80 4.043 1.516 -9.862 626 HB3 LEU 80 HB1 LEU 80 2.464 2.298 -9.782 627 HG LEU 80 HG LEU 80 4.045 1.788 -12.322 628 HD11 LEU 80 HD11 LEU 80 2.275 0.138 -12.809 629 HD12 LEU 80 HD12 LEU 80 1.529 0.475 -11.247 630 HD13 LEU 80 HD13 LEU 80 3.126 -0.271 -11.318 631 HD21 LEU 80 HD21 LEU 80 2.748 3.676 -12.823 632 HD22 LEU 80 HD22 LEU 80 1.447 3.201 -11.730 633 HD23 LEU 80 HD23 LEU 80 1.652 2.373 -13.272 634 H SER 81 HN SER 81 2.641 4.952 -8.698 635 HA SER 81 HA SER 81 4.247 4.375 -6.299 636 HB2 SER 81 HB2 SER 81 4.894 6.588 -5.831 637 HB3 SER 81 HB1 SER 81 5.193 6.459 -7.562 638 HG SER 81 HG SER 81 4.000 8.342 -7.019 639 H LEU 82 HN LEU 82 3.086 5.088 -4.332 640 HA LEU 82 HA LEU 82 0.137 5.399 -4.823 641 HB2 LEU 82 HB2 LEU 82 1.581 4.243 -2.419 642 HB3 LEU 82 HB1 LEU 82 -0.168 4.313 -2.648 643 HG LEU 82 HG LEU 82 1.783 2.812 -4.421 644 HD11 LEU 82 HD11 LEU 82 1.458 1.795 -2.184 645 HD12 LEU 82 HD12 LEU 82 0.763 0.799 -3.461 646 HD13 LEU 82 HD13 LEU 82 -0.285 1.792 -2.452 647 HD21 LEU 82 HD21 LEU 82 -1.187 3.325 -4.560 648 HD22 LEU 82 HD22 LEU 82 -0.535 1.815 -5.194 649 HD23 LEU 82 HD23 LEU 82 0.008 3.351 -5.858 650 H SER 83 HN SER 83 -0.747 7.260 -4.204 651 HA SER 83 HA SER 83 0.801 9.059 -2.377 652 HB2 SER 83 HB2 SER 83 -1.346 9.654 -4.430 653 HB3 SER 83 HB1 SER 83 -0.614 10.854 -3.373 654 HG SER 83 HG SER 83 1.129 10.821 -4.564 655 H VAL 84 HN VAL 84 0.003 9.264 -0.360 656 HA VAL 84 HA VAL 84 -2.778 8.346 0.194 657 HB VAL 84 HB VAL 84 -0.589 9.061 2.160 658 HG11 VAL 84 HG11 VAL 84 -3.157 7.467 2.350 659 HG12 VAL 84 HG12 VAL 84 -2.816 9.011 3.131 660 HG13 VAL 84 HG13 VAL 84 -1.949 7.559 3.629 661 HG21 VAL 84 HG21 VAL 84 -0.138 6.636 2.252 662 HG22 VAL 84 HG22 VAL 84 0.156 7.260 0.630 663 HG23 VAL 84 HG23 VAL 84 -1.324 6.364 0.976 664 H GLY 85 HN GLY 85 -4.250 9.953 0.073 665 HA2 GLY 85 HA2 GLY 85 -3.475 12.730 0.826 666 HA3 GLY 85 HA1 GLY 85 -4.909 12.271 -0.086 667 H ASP 86 HN ASP 86 -5.733 13.841 1.677 668 HA ASP 86 HA ASP 86 -6.034 12.940 4.390 669 HB2 ASP 86 HB2 ASP 86 -6.353 15.301 3.469 670 HB3 ASP 86 HB1 ASP 86 -7.924 14.756 2.881 671 H SER 87 HN SER 87 -7.946 12.497 1.449 672 HA SER 87 HA SER 87 -10.266 11.366 2.704 673 HB2 SER 87 HB2 SER 87 -10.164 12.225 0.353 674 HB3 SER 87 HB1 SER 87 -9.173 10.833 -0.075 675 HG SER 87 HG SER 87 -10.867 9.504 0.302 676 H SER 88 HN SER 88 -7.104 10.128 2.151 677 HA SER 88 HA SER 88 -7.837 7.329 1.991 678 HB2 SER 88 HB2 SER 88 -5.206 8.636 2.723 679 HB3 SER 88 HB1 SER 88 -5.431 6.922 2.382 680 HG SER 88 HG SER 88 -5.618 9.145 0.669 681 H ARG 89 HN ARG 89 -7.329 5.724 3.673 682 HA ARG 89 HA ARG 89 -7.523 6.846 6.460 683 HB2 ARG 89 HB2 ARG 89 -9.664 5.839 5.687 684 HB3 ARG 89 HB1 ARG 89 -8.817 4.318 5.400 685 HG2 ARG 89 HG2 ARG 89 -8.247 4.118 7.745 686 HG3 ARG 89 HG1 ARG 89 -8.890 5.726 8.085 687 HD2 ARG 89 HD2 ARG 89 -11.145 4.975 7.453 688 HD3 ARG 89 HD1 ARG 89 -10.513 3.382 7.050 689 HE ARG 89 HE ARG 89 -10.305 2.898 9.374 690 HH11 ARG 89 HH21 ARG 89 -11.154 6.191 8.745 691 HH12 ARG 89 HH22 ARG 89 -11.562 6.532 10.392 692 HH21 ARG 89 HH11 ARG 89 -10.831 3.339 11.522 693 HH22 ARG 89 HH12 ARG 89 -11.377 4.922 11.962 694 H ILE 90 HN ILE 90 -6.052 6.050 7.883 695 HA ILE 90 HA ILE 90 -4.340 3.742 6.996 696 HB ILE 90 HB ILE 90 -3.605 6.174 8.653 697 HG12 ILE 90 HG12 ILE 90 -2.547 5.245 5.967 698 HG13 ILE 90 HG11 ILE 90 -3.824 6.449 6.142 699 HG21 ILE 90 HG21 ILE 90 -2.118 3.635 7.947 700 HG22 ILE 90 HG22 ILE 90 -2.375 4.338 9.544 701 HG23 ILE 90 HG23 ILE 90 -1.275 5.114 8.406 702 HD11 ILE 90 HD11 ILE 90 -2.376 7.980 7.245 703 HD12 ILE 90 HD12 ILE 90 -1.428 7.344 5.902 704 HD13 ILE 90 HD13 ILE 90 -1.158 6.740 7.535 705 H GLU 91 HN GLU 91 -4.261 2.041 8.369 706 HA GLU 91 HA GLU 91 -5.306 2.410 11.163 707 HB2 GLU 91 HB2 GLU 91 -5.698 0.105 9.238 708 HB3 GLU 91 HB1 GLU 91 -6.076 0.015 10.960 709 HG2 GLU 91 HG2 GLU 91 -7.639 1.892 10.734 710 HG3 GLU 91 HG1 GLU 91 -7.233 2.043 9.025 711 H SER 92 HN SER 92 -3.930 1.803 12.723 712 HA SER 92 HA SER 92 -1.262 0.931 12.080 713 HB2 SER 92 HB2 SER 92 -0.828 1.179 14.369 714 HB3 SER 92 HB1 SER 92 -2.162 2.303 14.115 715 HG SER 92 HG SER 92 -3.100 -0.173 14.575 716 H VAL 93 HN VAL 93 -0.287 -1.100 12.450 717 HA VAL 93 HA VAL 93 -2.150 -3.372 13.072 718 HB VAL 93 HB VAL 93 -0.030 -3.178 10.916 719 HG11 VAL 93 HG11 VAL 93 0.309 -5.336 11.867 720 HG12 VAL 93 HG12 VAL 93 -0.759 -5.609 10.490 721 HG13 VAL 93 HG13 VAL 93 -1.419 -5.578 12.124 722 HG21 VAL 93 HG21 VAL 93 -2.208 -2.323 10.258 723 HG22 VAL 93 HG22 VAL 93 -3.011 -3.744 10.927 724 HG23 VAL 93 HG23 VAL 93 -1.982 -3.902 9.506 725 H ASN 94 HN ASN 94 -1.435 -4.717 14.606 726 HA ASN 94 HA ASN 94 -0.074 -5.707 16.211 727 HB2 ASN 94 HB2 ASN 94 1.301 -6.178 14.076 728 HB3 ASN 94 HB1 ASN 94 2.332 -4.846 14.601 729 HD21 ASN 94 HD21 ASN 94 4.176 -6.100 15.256 730 HD22 ASN 94 HD22 ASN 94 4.118 -7.221 16.529 731 H VAL 95 HN VAL 95 2.369 -5.024 17.294 732 HA VAL 95 HA VAL 95 1.768 -2.342 18.454 733 HB VAL 95 HB VAL 95 1.880 -4.235 20.026 734 HG11 VAL 95 HG11 VAL 95 4.806 -4.479 19.305 735 HG12 VAL 95 HG12 VAL 95 3.571 -5.512 18.585 736 HG13 VAL 95 HG13 VAL 95 3.845 -5.548 20.327 737 HG21 VAL 95 HG21 VAL 95 3.413 -3.216 21.603 738 HG22 VAL 95 HG22 VAL 95 2.649 -1.932 20.667 739 HG23 VAL 95 HG23 VAL 95 4.300 -2.430 20.297 740 H ASN 96 HN ASN 96 3.101 -0.673 18.077 741 HA ASN 96 HA ASN 96 5.649 -1.181 16.601 742 HB2 ASN 96 HB2 ASN 96 5.482 1.117 15.859 743 HB3 ASN 96 HB1 ASN 96 3.913 0.354 15.605 744 HD21 ASN 96 HD21 ASN 96 2.226 1.680 16.254 745 HD22 ASN 96 HD22 ASN 96 2.284 2.778 17.548 746 H ILE 97 HN ILE 97 6.660 1.482 17.309 747 HA ILE 97 HA ILE 97 7.504 0.925 20.132 748 HB ILE 97 HB ILE 97 8.995 2.467 18.014 749 HG12 ILE 97 HG12 ILE 97 8.805 0.151 17.299 750 HG13 ILE 97 HG11 ILE 97 10.432 0.408 17.923 751 HG21 ILE 97 HG21 ILE 97 10.890 2.121 19.586 752 HG22 ILE 97 HG22 ILE 97 9.781 1.355 20.723 753 HG23 ILE 97 HG23 ILE 97 9.587 3.060 20.315 754 HD11 ILE 97 HD11 ILE 97 9.826 -1.605 18.958 755 HD12 ILE 97 HD12 ILE 97 8.150 -1.109 19.166 756 HD13 ILE 97 HD13 ILE 97 9.402 -0.431 20.199 757 HA PRO 98 HA PRO 98 5.168 4.930 20.194 758 HB2 PRO 98 HB2 PRO 98 3.881 4.484 22.585 759 HB3 PRO 98 HB1 PRO 98 3.248 3.950 21.019 760 HG2 PRO 98 HG2 PRO 98 4.661 2.388 23.124 761 HG3 PRO 98 HG1 PRO 98 3.331 1.903 22.057 762 HD2 PRO 98 HD2 PRO 98 5.959 1.192 21.648 763 HD3 PRO 98 HD1 PRO 98 4.758 1.292 20.343 764 H LEU 99 HN LEU 99 5.473 6.769 21.599 765 HA LEU 99 HA LEU 99 6.976 8.143 22.770 766 HB2 LEU 99 HB2 LEU 99 6.219 5.899 24.621 767 HB3 LEU 99 HB1 LEU 99 7.337 7.141 25.175 768 HG LEU 99 HG LEU 99 4.909 7.610 25.710 769 HD11 LEU 99 HD11 LEU 99 5.734 9.783 23.813 770 HD12 LEU 99 HD12 LEU 99 6.832 9.401 25.135 771 HD13 LEU 99 HD13 LEU 99 5.179 9.888 25.480 772 HD21 LEU 99 HD21 LEU 99 3.357 8.107 23.972 773 HD22 LEU 99 HD22 LEU 99 4.161 6.626 23.460 774 HD23 LEU 99 HD23 LEU 99 4.628 8.170 22.750 775 H GLU 100 HN GLU 100 8.637 7.529 21.142 776 HA GLU 100 HA GLU 100 10.816 5.802 22.235 777 HB2 GLU 100 HB2 GLU 100 11.731 5.918 19.941 778 HB3 GLU 100 HB1 GLU 100 10.068 5.331 19.928 779 HG2 GLU 100 HG2 GLU 100 9.280 7.624 19.395 780 HG3 GLU 100 HG1 GLU 100 10.955 8.174 19.344 781 H HIS 101 HN HIS 101 9.873 8.884 22.560 782 HA HIS 101 HA HIS 101 11.886 10.606 21.752 783 HB2 HIS 101 HB2 HIS 101 9.896 11.311 23.038 784 HB3 HIS 101 HB1 HIS 101 10.581 10.584 24.490 785 HD1 HIS 101 HD1 HIS 101 12.603 11.779 25.592 786 HD2 HIS 101 HD2 HIS 101 11.137 13.747 22.221 787 HE1 HIS 101 HE1 HIS 101 13.682 14.071 25.576 788 H HIS 102 HN HIS 102 13.957 9.802 21.714 789 HA HIS 102 HA HIS 102 15.994 8.929 22.505 790 HB2 HIS 102 HB2 HIS 102 15.239 10.894 24.682 791 HB3 HIS 102 HB1 HIS 102 16.847 10.202 24.471 792 HD1 HIS 102 HD1 HIS 102 18.083 10.781 22.177 793 HD2 HIS 102 HD2 HIS 102 14.655 13.015 22.962 794 HE1 HIS 102 HE1 HIS 102 18.160 12.778 20.622 795 H HIS 103 HN HIS 103 17.000 8.458 25.020 796 HA HIS 103 HA HIS 103 15.094 6.784 26.516 797 HB2 HIS 103 HB2 HIS 103 15.815 5.260 24.735 798 HB3 HIS 103 HB1 HIS 103 17.506 5.602 25.105 799 HD1 HIS 103 HD1 HIS 103 14.411 4.222 26.850 800 HD2 HIS 103 HD2 HIS 103 18.565 3.948 27.055 801 HE1 HIS 103 HE1 HIS 103 14.928 2.467 28.601 802 H HIS 104 HN HIS 104 15.704 6.607 28.635 803 HA HIS 104 HA HIS 104 18.412 6.748 29.574 804 HB2 HIS 104 HB2 HIS 104 18.414 8.949 30.605 805 HB3 HIS 104 HB1 HIS 104 18.078 9.149 28.888 806 HD1 HIS 104 HD1 HIS 104 15.527 9.569 28.232 807 HD2 HIS 104 HD2 HIS 104 16.382 9.840 32.303 808 HE1 HIS 104 HE1 HIS 104 13.558 10.750 29.299 809 H HIS 105 HN HIS 105 16.467 4.944 30.080 810 HA HIS 105 HA HIS 105 14.808 5.504 32.359 811 HB2 HIS 105 HB2 HIS 105 15.852 2.934 31.145 812 HB3 HIS 105 HB1 HIS 105 14.773 2.953 32.539 813 HD1 HIS 105 HD1 HIS 105 13.341 1.636 30.449 814 HD2 HIS 105 HD2 HIS 105 13.626 5.796 30.362 815 HE1 HIS 105 HE1 HIS 105 11.474 2.452 28.943 816 H HIS 106 HN HIS 106 18.074 4.144 32.022 817 HA HIS 106 HA HIS 106 18.434 3.438 34.771 818 HB2 HIS 106 HB2 HIS 106 19.916 2.629 32.974 819 HB3 HIS 106 HB1 HIS 106 20.495 4.272 32.707 820 HD1 HIS 106 HD1 HIS 106 20.356 1.692 35.512 821 HD2 HIS 106 HD2 HIS 106 22.654 4.954 34.305 822 HE1 HIS 106 HE1 HIS 106 22.325 1.810 37.102 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 -14.215 -0.161 -2.096 2 H2 SER 1 HT2 SER 1 -13.740 0.685 -0.701 3 H3 SER 1 HT3 SER 1 -14.041 -0.986 -0.624 4 HA SER 1 HA SER 1 -11.981 -0.017 -2.475 5 HB2 SER 1 HB2 SER 1 -10.331 0.152 -0.786 6 HB3 SER 1 HB1 SER 1 -11.700 1.053 -0.143 7 HG SER 1 HG SER 1 -12.095 -0.526 1.262 8 H ASP 2 HN ASP 2 -10.035 -1.776 -1.688 9 HA ASP 2 HA ASP 2 -10.994 -4.398 -1.019 10 HB2 ASP 2 HB2 ASP 2 -12.020 -4.160 -3.300 11 HB3 ASP 2 HB1 ASP 2 -10.395 -3.979 -3.962 12 H LEU 3 HN LEU 3 -9.257 -5.866 -0.814 13 HA LEU 3 HA LEU 3 -6.629 -4.595 -0.709 14 HB2 LEU 3 HB2 LEU 3 -7.743 -7.291 0.055 15 HB3 LEU 3 HB1 LEU 3 -6.006 -6.994 0.085 16 HG LEU 3 HG LEU 3 -7.117 -6.602 2.294 17 HD11 LEU 3 HD11 LEU 3 -5.721 -4.854 2.826 18 HD12 LEU 3 HD12 LEU 3 -6.232 -3.871 1.460 19 HD13 LEU 3 HD13 LEU 3 -5.082 -5.183 1.219 20 HD21 LEU 3 HD21 LEU 3 -8.725 -4.881 2.594 21 HD22 LEU 3 HD22 LEU 3 -9.240 -5.712 1.128 22 HD23 LEU 3 HD23 LEU 3 -8.387 -4.173 1.015 23 H VAL 4 HN VAL 4 -5.060 -4.755 -2.213 24 HA VAL 4 HA VAL 4 -5.184 -6.957 -4.227 25 HB VAL 4 HB VAL 4 -4.825 -5.457 -6.053 26 HG11 VAL 4 HG11 VAL 4 -6.901 -4.255 -4.196 27 HG12 VAL 4 HG12 VAL 4 -7.160 -5.628 -5.272 28 HG13 VAL 4 HG13 VAL 4 -6.834 -4.031 -5.945 29 HG21 VAL 4 HG21 VAL 4 -3.295 -3.860 -5.103 30 HG22 VAL 4 HG22 VAL 4 -4.485 -3.344 -3.907 31 HG23 VAL 4 HG23 VAL 4 -4.720 -2.958 -5.611 32 H LYS 5 HN LYS 5 -3.080 -7.205 -5.374 33 HA LYS 5 HA LYS 5 -0.898 -7.075 -3.445 34 HB2 LYS 5 HB2 LYS 5 -1.066 -8.055 -6.302 35 HB3 LYS 5 HB1 LYS 5 0.392 -8.168 -5.316 36 HG2 LYS 5 HG2 LYS 5 -0.859 -9.472 -3.625 37 HG3 LYS 5 HG1 LYS 5 -2.303 -9.377 -4.633 38 HD2 LYS 5 HD2 LYS 5 -1.144 -10.572 -6.438 39 HD3 LYS 5 HD1 LYS 5 0.323 -10.646 -5.462 40 HE2 LYS 5 HE2 LYS 5 -0.897 -11.944 -3.742 41 HE3 LYS 5 HE1 LYS 5 -2.348 -11.891 -4.742 42 HZ1 LYS 5 HZ1 LYS 5 -0.617 -13.876 -4.849 43 HZ2 LYS 5 HZ2 LYS 5 0.092 -12.856 -6.009 44 HZ3 LYS 5 HZ3 LYS 5 -1.514 -13.380 -6.201 45 H ILE 6 HN ILE 6 1.174 -6.055 -3.881 46 HA ILE 6 HA ILE 6 0.999 -3.346 -4.791 47 HB ILE 6 HB ILE 6 3.385 -5.153 -4.307 48 HG12 ILE 6 HG12 ILE 6 2.283 -2.887 -2.619 49 HG13 ILE 6 HG11 ILE 6 1.826 -4.576 -2.381 50 HG21 ILE 6 HG21 ILE 6 3.189 -2.214 -4.983 51 HG22 ILE 6 HG22 ILE 6 4.228 -3.440 -5.708 52 HG23 ILE 6 HG23 ILE 6 4.560 -2.856 -4.078 53 HD11 ILE 6 HD11 ILE 6 4.714 -3.682 -2.418 54 HD12 ILE 6 HD12 ILE 6 4.057 -5.210 -1.832 55 HD13 ILE 6 HD13 ILE 6 3.759 -3.721 -0.935 56 H ARG 7 HN ARG 7 2.316 -6.290 -6.323 57 HA ARG 7 HA ARG 7 3.250 -4.961 -8.693 58 HB2 ARG 7 HB2 ARG 7 3.387 -7.231 -9.649 59 HB3 ARG 7 HB1 ARG 7 4.050 -7.192 -8.016 60 HG2 ARG 7 HG2 ARG 7 1.907 -8.047 -7.126 61 HG3 ARG 7 HG1 ARG 7 1.254 -8.110 -8.763 62 HD2 ARG 7 HD2 ARG 7 3.743 -9.600 -7.889 63 HD3 ARG 7 HD1 ARG 7 2.133 -10.320 -7.939 64 HE ARG 7 HE ARG 7 2.633 -9.163 -10.482 65 HH11 ARG 7 HH21 ARG 7 3.783 -11.666 -8.403 66 HH12 ARG 7 HH22 ARG 7 4.306 -12.685 -9.703 67 HH21 ARG 7 HH11 ARG 7 3.309 -10.483 -12.186 68 HH22 ARG 7 HH12 ARG 7 4.038 -12.016 -11.842 69 H ASP 8 HN ASP 8 0.112 -5.735 -7.601 70 HA ASP 8 HA ASP 8 -1.057 -5.845 -10.318 71 HB2 ASP 8 HB2 ASP 8 -2.247 -5.978 -7.534 72 HB3 ASP 8 HB1 ASP 8 -3.221 -6.000 -9.004 73 H VAL 9 HN VAL 9 0.082 -3.447 -8.359 74 HA VAL 9 HA VAL 9 -2.041 -1.519 -8.432 75 HB VAL 9 HB VAL 9 0.964 -1.193 -8.225 76 HG11 VAL 9 HG11 VAL 9 -1.291 0.814 -8.005 77 HG12 VAL 9 HG12 VAL 9 0.151 0.910 -9.017 78 HG13 VAL 9 HG13 VAL 9 0.288 1.084 -7.267 79 HG21 VAL 9 HG21 VAL 9 -0.385 -2.417 -6.415 80 HG22 VAL 9 HG22 VAL 9 -1.159 -0.864 -6.097 81 HG23 VAL 9 HG23 VAL 9 0.582 -1.044 -5.878 82 H SER 10 HN SER 10 -2.702 -0.185 -10.063 83 HA SER 10 HA SER 10 -0.919 0.479 -12.289 84 HB2 SER 10 HB2 SER 10 -1.704 -1.691 -13.062 85 HB3 SER 10 HB1 SER 10 -3.374 -1.251 -12.712 86 HG SER 10 HG SER 10 -3.416 0.013 -14.434 87 H LEU 11 HN LEU 11 -2.180 1.871 -13.911 88 HA LEU 11 HA LEU 11 -3.522 3.986 -12.519 89 HB2 LEU 11 HB2 LEU 11 -3.100 3.263 -15.410 90 HB3 LEU 11 HB1 LEU 11 -4.132 4.626 -14.990 91 HG LEU 11 HG LEU 11 -1.713 5.220 -15.438 92 HD11 LEU 11 HD11 LEU 11 -2.237 5.901 -12.561 93 HD12 LEU 11 HD12 LEU 11 -3.388 6.450 -13.779 94 HD13 LEU 11 HD13 LEU 11 -1.698 6.931 -13.884 95 HD21 LEU 11 HD21 LEU 11 -1.181 3.929 -12.756 96 HD22 LEU 11 HD22 LEU 11 -0.007 4.578 -13.901 97 HD23 LEU 11 HD23 LEU 11 -0.885 3.099 -14.284 98 H SER 12 HN SER 12 -4.682 1.201 -14.357 99 HA SER 12 HA SER 12 -7.401 1.947 -14.618 100 HB2 SER 12 HB2 SER 12 -7.844 -0.434 -14.862 101 HB3 SER 12 HB1 SER 12 -6.329 -0.046 -15.674 102 HG SER 12 HG SER 12 -6.752 -1.291 -13.172 103 H THR 13 HN THR 13 -5.586 1.055 -11.803 104 HA THR 13 HA THR 13 -8.108 0.798 -10.201 105 HB THR 13 HB THR 13 -6.961 -0.587 -8.700 106 HG1 THR 13 HG1 THR 13 -5.052 0.186 -8.246 107 HG21 THR 13 HG21 THR 13 -7.399 -1.582 -10.961 108 HG22 THR 13 HG22 THR 13 -6.092 -2.366 -10.074 109 HG23 THR 13 HG23 THR 13 -5.721 -1.238 -11.377 110 HA PRO 14 HA PRO 14 -6.075 4.876 -9.158 111 HB2 PRO 14 HB2 PRO 14 -8.418 6.298 -8.869 112 HB3 PRO 14 HB1 PRO 14 -7.587 6.083 -10.423 113 HG2 PRO 14 HG2 PRO 14 -9.941 4.617 -9.319 114 HG3 PRO 14 HG1 PRO 14 -9.646 5.194 -10.970 115 HD2 PRO 14 HD2 PRO 14 -9.306 2.599 -10.250 116 HD3 PRO 14 HD1 PRO 14 -8.322 3.359 -11.519 117 H TYR 15 HN TYR 15 -8.609 3.019 -7.607 118 HA TYR 15 HA TYR 15 -7.753 4.140 -4.953 119 HB2 TYR 15 HB2 TYR 15 -10.517 3.226 -5.809 120 HB3 TYR 15 HB1 TYR 15 -10.069 3.726 -4.177 121 HD1 TYR 15 HD1 TYR 15 -8.945 6.080 -3.948 122 HD2 TYR 15 HD2 TYR 15 -11.272 4.845 -7.344 123 HE1 TYR 15 HE1 TYR 15 -9.307 8.455 -4.565 124 HE2 TYR 15 HE2 TYR 15 -11.635 7.221 -7.957 125 HH TYR 15 HH TYR 15 -9.936 9.816 -6.354 126 H VAL 16 HN VAL 16 -6.516 2.545 -4.067 127 HA VAL 16 HA VAL 16 -7.719 -0.190 -3.934 128 HB VAL 16 HB VAL 16 -5.428 -1.144 -4.379 129 HG11 VAL 16 HG11 VAL 16 -7.293 -1.012 -6.079 130 HG12 VAL 16 HG12 VAL 16 -5.676 -1.036 -6.781 131 HG13 VAL 16 HG13 VAL 16 -6.564 0.484 -6.666 132 HG21 VAL 16 HG21 VAL 16 -4.884 1.620 -5.495 133 HG22 VAL 16 HG22 VAL 16 -3.773 0.251 -5.460 134 HG23 VAL 16 HG23 VAL 16 -4.244 1.044 -3.956 135 H SER 17 HN SER 17 -6.697 -1.534 -2.254 136 HA SER 17 HA SER 17 -5.524 0.135 -0.043 137 HB2 SER 17 HB2 SER 17 -7.762 -0.646 0.527 138 HB3 SER 17 HB1 SER 17 -7.335 -2.294 0.079 139 HG SER 17 HG SER 17 -6.675 -0.808 2.330 140 H VAL 18 HN VAL 18 -3.587 -0.598 0.802 141 HA VAL 18 HA VAL 18 -2.684 -3.360 0.073 142 HB VAL 18 HB VAL 18 -0.416 -2.430 -0.408 143 HG11 VAL 18 HG11 VAL 18 -2.218 -2.867 -2.167 144 HG12 VAL 18 HG12 VAL 18 -0.944 -1.742 -2.637 145 HG13 VAL 18 HG13 VAL 18 -2.524 -1.130 -2.147 146 HG21 VAL 18 HG21 VAL 18 -0.145 -0.035 -0.739 147 HG22 VAL 18 HG22 VAL 18 -0.766 -0.301 0.889 148 HG23 VAL 18 HG23 VAL 18 -1.851 0.244 -0.390 149 H ILE 19 HN ILE 19 -0.892 -4.120 1.442 150 HA ILE 19 HA ILE 19 -0.587 -2.661 4.022 151 HB ILE 19 HB ILE 19 -2.407 -4.351 4.291 152 HG12 ILE 19 HG12 ILE 19 0.126 -5.200 5.715 153 HG13 ILE 19 HG11 ILE 19 -0.754 -3.727 6.122 154 HG21 ILE 19 HG21 ILE 19 -0.240 -6.401 3.794 155 HG22 ILE 19 HG22 ILE 19 -1.388 -5.908 2.548 156 HG23 ILE 19 HG23 ILE 19 -1.965 -6.686 4.022 157 HD11 ILE 19 HD11 ILE 19 -1.416 -5.638 7.568 158 HD12 ILE 19 HD12 ILE 19 -1.946 -6.514 6.131 159 HD13 ILE 19 HD13 ILE 19 -2.767 -5.029 6.612 160 H GLY 20 HN GLY 20 1.470 -2.899 4.927 161 HA2 GLY 20 HA2 GLY 20 3.232 -5.061 4.416 162 HA3 GLY 20 HA1 GLY 20 3.557 -3.836 3.192 163 H LYS 21 HN LYS 21 5.719 -3.827 4.344 164 HA LYS 21 HA LYS 21 5.661 -2.219 6.864 165 HB2 LYS 21 HB2 LYS 21 6.888 -4.378 6.920 166 HB3 LYS 21 HB1 LYS 21 7.939 -3.779 5.637 167 HG2 LYS 21 HG2 LYS 21 8.697 -1.945 7.058 168 HG3 LYS 21 HG1 LYS 21 7.578 -2.436 8.332 169 HD2 LYS 21 HD2 LYS 21 8.738 -4.609 8.513 170 HD3 LYS 21 HD1 LYS 21 9.867 -4.108 7.253 171 HE2 LYS 21 HE2 LYS 21 10.869 -3.747 9.459 172 HE3 LYS 21 HE1 LYS 21 10.570 -2.199 8.672 173 HZ1 LYS 21 HZ1 LYS 21 9.814 -2.676 11.137 174 HZ2 LYS 21 HZ2 LYS 21 8.443 -3.295 10.348 175 HZ3 LYS 21 HZ3 LYS 21 8.908 -1.680 10.105 176 H ILE 22 HN ILE 22 6.325 -0.158 6.825 177 HA ILE 22 HA ILE 22 7.448 0.905 4.272 178 HB ILE 22 HB ILE 22 6.097 2.247 6.620 179 HG12 ILE 22 HG12 ILE 22 5.261 2.019 3.713 180 HG13 ILE 22 HG11 ILE 22 4.703 0.923 4.976 181 HG21 ILE 22 HG21 ILE 22 7.648 3.857 5.885 182 HG22 ILE 22 HG22 ILE 22 6.194 4.255 4.971 183 HG23 ILE 22 HG23 ILE 22 7.508 3.367 4.200 184 HD11 ILE 22 HD11 ILE 22 3.969 3.068 6.234 185 HD12 ILE 22 HD12 ILE 22 3.002 2.557 4.852 186 HD13 ILE 22 HD13 ILE 22 4.161 3.875 4.678 187 H THR 23 HN THR 23 9.492 1.714 4.203 188 HA THR 23 HA THR 23 10.926 2.249 6.776 189 HB THR 23 HB THR 23 12.871 1.058 6.024 190 HG1 THR 23 HG1 THR 23 11.498 1.163 3.610 191 HG21 THR 23 HG21 THR 23 10.568 -0.734 5.254 192 HG22 THR 23 HG22 THR 23 10.865 -0.260 6.924 193 HG23 THR 23 HG23 THR 23 12.080 -1.180 6.043 194 H GLY 24 HN GLY 24 12.810 3.674 6.479 195 HA2 GLY 24 HA2 GLY 24 14.116 5.250 5.215 196 HA3 GLY 24 HA1 GLY 24 12.961 5.120 3.889 197 H ILE 25 HN ILE 25 10.903 6.224 4.120 198 HA ILE 25 HA ILE 25 9.643 8.130 4.600 199 HB ILE 25 HB ILE 25 10.772 7.694 7.380 200 HG12 ILE 25 HG12 ILE 25 9.635 5.701 6.546 201 HG13 ILE 25 HG11 ILE 25 8.636 6.482 7.767 202 HG21 ILE 25 HG21 ILE 25 9.822 9.901 7.224 203 HG22 ILE 25 HG22 ILE 25 8.652 8.880 8.059 204 HG23 ILE 25 HG23 ILE 25 8.410 9.291 6.360 205 HD11 ILE 25 HD11 ILE 25 7.581 7.693 5.631 206 HD12 ILE 25 HD12 ILE 25 7.048 6.093 6.122 207 HD13 ILE 25 HD13 ILE 25 8.209 6.266 4.809 208 H HIS 26 HN HIS 26 10.404 9.868 3.594 209 HA HIS 26 HA HIS 26 12.545 11.481 4.930 210 HB2 HIS 26 HB2 HIS 26 12.187 10.920 1.970 211 HB3 HIS 26 HB1 HIS 26 13.264 12.160 2.617 212 HD1 HIS 26 HD1 HIS 26 12.814 8.422 2.450 213 HD2 HIS 26 HD2 HIS 26 15.628 11.175 3.823 214 HE1 HIS 26 HE1 HIS 26 14.899 7.098 3.012 215 H LYS 27 HN LYS 27 12.069 13.647 5.089 216 HA LYS 27 HA LYS 27 9.330 14.454 4.330 217 HB2 LYS 27 HB2 LYS 27 10.215 14.935 6.597 218 HB3 LYS 27 HB1 LYS 27 11.465 15.950 5.876 219 HG2 LYS 27 HG2 LYS 27 9.771 17.437 4.938 220 HG3 LYS 27 HG1 LYS 27 8.483 16.394 5.540 221 HD2 LYS 27 HD2 LYS 27 9.250 16.804 7.859 222 HD3 LYS 27 HD1 LYS 27 10.507 17.877 7.243 223 HE2 LYS 27 HE2 LYS 27 7.544 18.274 6.750 224 HE3 LYS 27 HE1 LYS 27 8.458 19.100 8.013 225 HZ1 LYS 27 HZ1 LYS 27 9.945 19.460 5.755 226 HZ2 LYS 27 HZ2 LYS 27 8.922 20.611 6.473 227 HZ3 LYS 27 HZ3 LYS 27 8.350 19.632 5.207 228 H LYS 28 HN LYS 28 8.859 15.924 2.737 229 HA LYS 28 HA LYS 28 11.008 17.592 1.573 230 HB2 LYS 28 HB2 LYS 28 11.056 15.466 0.283 231 HB3 LYS 28 HB1 LYS 28 9.349 15.687 -0.105 232 HG2 LYS 28 HG2 LYS 28 9.846 17.792 -1.244 233 HG3 LYS 28 HG1 LYS 28 11.547 17.659 -0.797 234 HD2 LYS 28 HD2 LYS 28 11.727 15.571 -2.089 235 HD3 LYS 28 HD1 LYS 28 10.025 15.696 -2.534 236 HE2 LYS 28 HE2 LYS 28 11.400 16.575 -4.350 237 HE3 LYS 28 HE1 LYS 28 10.500 17.894 -3.602 238 HZ1 LYS 28 HZ1 LYS 28 13.278 17.180 -2.851 239 HZ2 LYS 28 HZ2 LYS 28 12.406 18.565 -2.395 240 HZ3 LYS 28 HZ3 LYS 28 12.899 18.360 -4.008 241 H GLU 29 HN GLU 29 10.131 19.416 0.409 242 HA GLU 29 HA GLU 29 7.180 19.824 0.815 243 HB2 GLU 29 HB2 GLU 29 9.485 21.772 0.995 244 HB3 GLU 29 HB1 GLU 29 7.792 22.272 0.938 245 HG2 GLU 29 HG2 GLU 29 7.307 20.933 2.934 246 HG3 GLU 29 HG1 GLU 29 8.981 20.377 2.983 247 H TYR 30 HN TYR 30 6.003 20.737 -0.885 248 HA TYR 30 HA TYR 30 7.472 21.440 -3.380 249 HB2 TYR 30 HB2 TYR 30 6.115 19.932 -4.718 250 HB3 TYR 30 HB1 TYR 30 6.889 18.990 -3.445 251 HD1 TYR 30 HD2 TYR 30 5.499 18.769 -1.185 252 HD2 TYR 30 HD1 TYR 30 3.791 19.745 -5.008 253 HE1 TYR 30 HE2 TYR 30 3.265 18.075 -0.370 254 HE2 TYR 30 HE1 TYR 30 1.559 19.041 -4.187 255 HH TYR 30 HH TYR 30 0.379 18.343 -2.440 256 H GLU 31 HN GLU 31 6.011 22.509 -4.958 257 HA GLU 31 HA GLU 31 4.138 24.295 -3.592 258 HB2 GLU 31 HB2 GLU 31 5.067 24.028 -6.457 259 HB3 GLU 31 HB1 GLU 31 3.883 25.233 -5.942 260 HG2 GLU 31 HG2 GLU 31 5.482 26.160 -4.339 261 HG3 GLU 31 HG1 GLU 31 6.661 24.919 -4.770 262 H SER 32 HN SER 32 1.884 24.283 -3.818 263 HA SER 32 HA SER 32 0.648 22.297 -5.653 264 HB2 SER 32 HB2 SER 32 1.010 21.191 -3.424 265 HB3 SER 32 HB1 SER 32 -0.015 22.423 -2.696 266 HG SER 32 HG SER 32 -0.797 20.198 -3.764 267 H ASP 33 HN ASP 33 -0.553 23.718 -6.833 268 HA ASP 33 HA ASP 33 -2.152 25.330 -7.358 269 HB2 ASP 33 HB2 ASP 33 -3.502 23.745 -5.899 270 HB3 ASP 33 HB1 ASP 33 -3.223 24.866 -4.564 271 H GLY 34 HN GLY 34 0.357 26.222 -6.152 272 HA2 GLY 34 HA2 GLY 34 1.161 28.411 -5.714 273 HA3 GLY 34 HA1 GLY 34 -0.500 28.943 -5.462 274 H THR 35 HN THR 35 0.024 26.139 -3.699 275 HA THR 35 HA THR 35 0.822 27.680 -1.247 276 HB THR 35 HB THR 35 -1.270 25.495 -1.444 277 HG1 THR 35 HG1 THR 35 -1.704 28.145 -0.635 278 HG21 THR 35 HG21 THR 35 -0.198 27.139 0.858 279 HG22 THR 35 HG22 THR 35 -0.140 25.384 0.681 280 HG23 THR 35 HG23 THR 35 -1.685 26.194 0.946 281 H THR 36 HN THR 36 2.548 26.805 -0.245 282 HA THR 36 HA THR 36 3.769 24.383 -1.257 283 HB THR 36 HB THR 36 4.426 25.894 1.283 284 HG1 THR 36 HG1 THR 36 5.513 26.208 -1.311 285 HG21 THR 36 HG21 THR 36 5.455 23.644 1.035 286 HG22 THR 36 HG22 THR 36 6.652 24.936 0.960 287 HG23 THR 36 HG23 THR 36 6.119 24.144 -0.521 288 H LYS 37 HN LYS 37 3.607 22.318 -0.472 289 HA LYS 37 HA LYS 37 2.222 21.884 2.149 290 HB2 LYS 37 HB2 LYS 37 1.753 20.387 -0.447 291 HB3 LYS 37 HB1 LYS 37 1.035 19.970 1.110 292 HG2 LYS 37 HG2 LYS 37 0.674 22.651 -0.264 293 HG3 LYS 37 HG1 LYS 37 -0.480 21.324 -0.380 294 HD2 LYS 37 HD2 LYS 37 -0.470 21.375 2.225 295 HD3 LYS 37 HD1 LYS 37 0.257 22.972 2.043 296 HE2 LYS 37 HE2 LYS 37 -2.076 23.376 2.176 297 HE3 LYS 37 HE1 LYS 37 -1.680 23.515 0.463 298 HZ1 LYS 37 HZ1 LYS 37 -3.210 21.973 0.106 299 HZ2 LYS 37 HZ2 LYS 37 -3.399 21.666 1.767 300 HZ3 LYS 37 HZ3 LYS 37 -2.200 20.852 0.881 301 H SER 38 HN SER 38 3.045 20.184 3.359 302 HA SER 38 HA SER 38 5.695 19.214 2.509 303 HB2 SER 38 HB2 SER 38 5.891 18.403 4.780 304 HB3 SER 38 HB1 SER 38 5.218 20.030 4.835 305 HG SER 38 HG SER 38 3.932 17.540 5.178 306 H VAL 39 HN VAL 39 6.207 17.024 2.174 307 HA VAL 39 HA VAL 39 3.980 15.049 2.273 308 HB VAL 39 HB VAL 39 4.015 15.915 -0.028 309 HG11 VAL 39 HG11 VAL 39 6.004 15.644 -1.434 310 HG12 VAL 39 HG12 VAL 39 6.899 14.986 -0.067 311 HG13 VAL 39 HG13 VAL 39 6.375 16.669 -0.049 312 HG21 VAL 39 HG21 VAL 39 3.573 13.495 0.423 313 HG22 VAL 39 HG22 VAL 39 5.279 13.165 0.123 314 HG23 VAL 39 HG23 VAL 39 4.260 13.786 -1.174 315 H TYR 40 HN TYR 40 4.657 13.015 2.816 316 HA TYR 40 HA TYR 40 7.573 12.672 3.401 317 HB2 TYR 40 HB2 TYR 40 5.099 11.278 4.468 318 HB3 TYR 40 HB1 TYR 40 6.750 10.801 4.867 319 HD1 TYR 40 HD1 TYR 40 4.279 13.567 5.092 320 HD2 TYR 40 HD2 TYR 40 8.063 12.042 6.435 321 HE1 TYR 40 HE1 TYR 40 4.362 15.318 6.847 322 HE2 TYR 40 HE2 TYR 40 8.146 13.790 8.190 323 HH TYR 40 HH TYR 40 5.742 15.358 9.334 324 H GLN 41 HN GLN 41 8.684 11.194 2.183 325 HA GLN 41 HA GLN 41 7.103 9.292 0.475 326 HB2 GLN 41 HB2 GLN 41 9.639 10.828 -0.123 327 HB3 GLN 41 HB1 GLN 41 9.065 9.483 -1.112 328 HG2 GLN 41 HG2 GLN 41 6.947 10.659 -1.516 329 HG3 GLN 41 HG1 GLN 41 7.481 11.993 -0.494 330 HE21 GLN 41 HE21 GLN 41 7.867 13.683 -1.957 331 HE22 GLN 41 HE22 GLN 41 8.854 13.552 -3.332 332 H GLY 42 HN GLY 42 8.056 7.214 0.145 333 HA2 GLY 42 HA2 GLY 42 10.558 6.482 1.374 334 HA3 GLY 42 HA1 GLY 42 9.198 6.006 2.393 335 H TYR 43 HN TYR 43 10.186 3.811 1.813 336 HA TYR 43 HA TYR 43 8.966 2.796 -0.742 337 HB2 TYR 43 HB2 TYR 43 11.540 2.030 0.656 338 HB3 TYR 43 HB1 TYR 43 10.797 1.038 -0.600 339 HD1 TYR 43 HD2 TYR 43 12.388 4.296 0.135 340 HD2 TYR 43 HD1 TYR 43 10.785 1.725 -2.906 341 HE1 TYR 43 HE2 TYR 43 13.404 5.732 -1.614 342 HE2 TYR 43 HE1 TYR 43 11.798 3.157 -4.655 343 HH TYR 43 HH TYR 43 13.473 6.171 -3.818 344 H ILE 44 HN ILE 44 7.671 0.992 -0.536 345 HA ILE 44 HA ILE 44 7.436 -0.200 2.219 346 HB ILE 44 HB ILE 44 5.420 1.112 1.482 347 HG12 ILE 44 HG12 ILE 44 4.904 -1.873 1.590 348 HG13 ILE 44 HG11 ILE 44 5.368 -0.929 3.005 349 HG21 ILE 44 HG21 ILE 44 5.027 -1.092 -0.551 350 HG22 ILE 44 HG22 ILE 44 5.783 0.442 -0.978 351 HG23 ILE 44 HG23 ILE 44 4.122 0.413 -0.386 352 HD11 ILE 44 HD11 ILE 44 3.403 0.573 2.567 353 HD12 ILE 44 HD12 ILE 44 2.955 -1.086 2.967 354 HD13 ILE 44 HD13 ILE 44 2.903 -0.538 1.292 355 H GLU 45 HN GLU 45 7.394 -2.446 2.332 356 HA GLU 45 HA GLU 45 7.640 -3.945 -0.254 357 HB2 GLU 45 HB2 GLU 45 9.892 -3.582 0.721 358 HB3 GLU 45 HB1 GLU 45 9.354 -4.343 2.219 359 HG2 GLU 45 HG2 GLU 45 8.910 -6.437 1.041 360 HG3 GLU 45 HG1 GLU 45 9.330 -5.689 -0.500 361 H ASP 46 HN ASP 46 6.949 -6.146 -0.126 362 HA ASP 46 HA ASP 46 5.695 -7.063 2.396 363 HB2 ASP 46 HB2 ASP 46 3.998 -5.708 1.007 364 HB3 ASP 46 HB1 ASP 46 4.094 -7.011 -0.176 365 H ASP 47 HN ASP 47 4.329 -9.241 1.302 366 HA ASP 47 HA ASP 47 6.429 -11.126 0.816 367 HB2 ASP 47 HB2 ASP 47 4.133 -11.597 1.775 368 HB3 ASP 47 HB1 ASP 47 3.491 -11.425 0.142 369 H THR 48 HN THR 48 4.288 -9.286 -1.310 370 HA THR 48 HA THR 48 5.054 -10.735 -3.716 371 HB THR 48 HB THR 48 3.916 -8.784 -4.856 372 HG1 THR 48 HG1 THR 48 2.679 -7.572 -3.118 373 HG21 THR 48 HG21 THR 48 1.652 -9.281 -3.694 374 HG22 THR 48 HG22 THR 48 2.571 -10.405 -2.696 375 HG23 THR 48 HG23 THR 48 2.506 -10.627 -4.445 376 H ALA 49 HN ALA 49 5.294 -7.221 -3.545 377 HA ALA 49 HA ALA 49 8.240 -7.367 -4.009 378 HB1 ALA 49 HB1 ALA 49 6.408 -5.723 -5.767 379 HB2 ALA 49 HB2 ALA 49 6.925 -7.352 -6.203 380 HB3 ALA 49 HB3 ALA 49 8.120 -6.070 -6.007 381 H ARG 50 HN ARG 50 8.132 -4.518 -4.882 382 HA ARG 50 HA ARG 50 7.178 -3.149 -2.424 383 HB2 ARG 50 HB2 ARG 50 9.346 -2.054 -2.084 384 HB3 ARG 50 HB1 ARG 50 9.525 -3.803 -1.969 385 HG2 ARG 50 HG2 ARG 50 10.305 -3.862 -4.327 386 HG3 ARG 50 HG1 ARG 50 10.173 -2.104 -4.404 387 HD2 ARG 50 HD2 ARG 50 11.793 -1.922 -2.525 388 HD3 ARG 50 HD1 ARG 50 11.966 -3.677 -2.528 389 HE ARG 50 HE ARG 50 12.497 -2.768 -5.163 390 HH11 ARG 50 HH21 ARG 50 13.744 -2.535 -1.950 391 HH12 ARG 50 HH22 ARG 50 15.386 -2.329 -2.464 392 HH21 ARG 50 HH11 ARG 50 14.637 -2.498 -5.841 393 HH22 ARG 50 HH12 ARG 50 15.890 -2.307 -4.660 394 H ILE 51 HN ILE 51 7.079 -0.779 -2.718 395 HA ILE 51 HA ILE 51 7.531 0.230 -5.450 396 HB ILE 51 HB ILE 51 5.271 -0.843 -5.533 397 HG12 ILE 51 HG12 ILE 51 5.055 2.172 -5.653 398 HG13 ILE 51 HG11 ILE 51 5.962 1.249 -6.849 399 HG21 ILE 51 HG21 ILE 51 3.465 0.021 -4.216 400 HG22 ILE 51 HG22 ILE 51 4.454 1.353 -3.617 401 HG23 ILE 51 HG23 ILE 51 4.786 -0.297 -3.091 402 HD11 ILE 51 HD11 ILE 51 3.027 0.889 -6.179 403 HD12 ILE 51 HD12 ILE 51 3.930 -0.078 -7.345 404 HD13 ILE 51 HD13 ILE 51 3.669 1.642 -7.639 405 H ARG 52 HN ARG 52 7.142 2.579 -5.590 406 HA ARG 52 HA ARG 52 8.089 3.944 -3.213 407 HB2 ARG 52 HB2 ARG 52 7.106 4.940 -5.901 408 HB3 ARG 52 HB1 ARG 52 7.761 5.997 -4.649 409 HG2 ARG 52 HG2 ARG 52 9.870 4.725 -4.667 410 HG3 ARG 52 HG1 ARG 52 9.217 3.655 -5.907 411 HD2 ARG 52 HD2 ARG 52 8.975 5.573 -7.441 412 HD3 ARG 52 HD1 ARG 52 9.628 6.647 -6.203 413 HE ARG 52 HE ARG 52 11.408 4.422 -6.803 414 HH11 ARG 52 HH21 ARG 52 10.315 7.560 -7.727 415 HH12 ARG 52 HH22 ARG 52 11.787 7.978 -8.537 416 HH21 ARG 52 HH11 ARG 52 13.332 4.950 -7.856 417 HH22 ARG 52 HH12 ARG 52 13.496 6.501 -8.611 418 H ILE 53 HN ILE 53 6.921 5.381 -1.873 419 HA ILE 53 HA ILE 53 3.979 5.619 -2.358 420 HB ILE 53 HB ILE 53 3.580 5.206 0.056 421 HG12 ILE 53 HG12 ILE 53 6.468 4.278 0.123 422 HG13 ILE 53 HG11 ILE 53 5.943 5.836 0.757 423 HG21 ILE 53 HG21 ILE 53 5.137 2.894 -1.119 424 HG22 ILE 53 HG22 ILE 53 3.576 3.389 -1.774 425 HG23 ILE 53 HG23 ILE 53 3.695 2.836 -0.105 426 HD11 ILE 53 HD11 ILE 53 4.687 4.861 2.480 427 HD12 ILE 53 HD12 ILE 53 6.102 3.816 2.393 428 HD13 ILE 53 HD13 ILE 53 4.584 3.301 1.664 429 H SER 54 HN SER 54 3.034 7.508 -1.400 430 HA SER 54 HA SER 54 4.922 9.482 -0.218 431 HB2 SER 54 HB2 SER 54 4.123 11.230 -1.762 432 HB3 SER 54 HB1 SER 54 4.901 9.921 -2.650 433 HG SER 54 HG SER 54 2.790 10.674 -3.445 434 H SER 55 HN SER 55 3.978 10.491 1.475 435 HA SER 55 HA SER 55 0.993 10.336 1.725 436 HB2 SER 55 HB2 SER 55 1.753 9.123 3.556 437 HB3 SER 55 HB1 SER 55 3.244 10.052 3.680 438 HG SER 55 HG SER 55 0.703 11.199 4.152 439 H PHE 56 HN PHE 56 0.010 12.265 1.498 440 HA PHE 56 HA PHE 56 1.623 14.747 1.754 441 HB2 PHE 56 HB2 PHE 56 -1.119 14.162 0.610 442 HB3 PHE 56 HB1 PHE 56 -0.429 15.784 0.710 443 HD1 PHE 56 HD2 PHE 56 1.754 16.274 -0.458 444 HD2 PHE 56 HD1 PHE 56 -0.435 12.633 -1.092 445 HE1 PHE 56 HE2 PHE 56 3.041 15.863 -2.538 446 HE2 PHE 56 HE1 PHE 56 0.849 12.224 -3.175 447 HZ PHE 56 HZ PHE 56 2.587 13.838 -3.897 448 H GLY 57 HN GLY 57 1.542 15.886 3.621 449 HA2 GLY 57 HA2 GLY 57 0.546 17.022 5.444 450 HA3 GLY 57 HA1 GLY 57 -1.007 16.328 4.983 451 H LYS 58 HN LYS 58 -0.409 13.598 5.074 452 HA LYS 58 HA LYS 58 -0.444 13.181 7.952 453 HB2 LYS 58 HB2 LYS 58 -0.448 11.221 5.643 454 HB3 LYS 58 HB1 LYS 58 -0.767 10.799 7.323 455 HG2 LYS 58 HG2 LYS 58 -2.380 12.932 5.921 456 HG3 LYS 58 HG1 LYS 58 -2.801 11.229 5.766 457 HD2 LYS 58 HD2 LYS 58 -2.955 11.058 8.239 458 HD3 LYS 58 HD1 LYS 58 -2.595 12.775 8.372 459 HE2 LYS 58 HE2 LYS 58 -4.594 13.327 7.071 460 HE3 LYS 58 HE1 LYS 58 -4.961 11.610 6.892 461 HZ1 LYS 58 HZ1 LYS 58 -5.527 11.404 9.079 462 HZ2 LYS 58 HZ2 LYS 58 -6.021 13.006 8.806 463 HZ3 LYS 58 HZ3 LYS 58 -4.545 12.690 9.585 464 H GLN 59 HN GLN 59 1.150 12.340 9.239 465 HA GLN 59 HA GLN 59 3.864 12.179 8.054 466 HB2 GLN 59 HB2 GLN 59 3.531 13.553 10.074 467 HB3 GLN 59 HB1 GLN 59 2.959 12.129 10.947 468 HG2 GLN 59 HG2 GLN 59 5.100 11.038 10.711 469 HG3 GLN 59 HG1 GLN 59 5.681 12.306 9.632 470 HE21 GLN 59 HE21 GLN 59 7.061 11.681 12.058 471 HE22 GLN 59 HE22 GLN 59 6.913 13.001 13.115 472 H LEU 60 HN LEU 60 5.218 10.342 8.396 473 HA LEU 60 HA LEU 60 3.837 7.829 9.267 474 HB2 LEU 60 HB2 LEU 60 5.601 8.228 6.834 475 HB3 LEU 60 HB1 LEU 60 5.046 6.660 7.420 476 HG LEU 60 HG LEU 60 3.225 8.938 6.584 477 HD11 LEU 60 HD11 LEU 60 2.734 7.314 4.662 478 HD12 LEU 60 HD12 LEU 60 4.205 6.468 5.142 479 HD13 LEU 60 HD13 LEU 60 4.287 8.147 4.608 480 HD21 LEU 60 HD21 LEU 60 1.915 7.654 8.039 481 HD22 LEU 60 HD22 LEU 60 2.767 6.158 7.658 482 HD23 LEU 60 HD23 LEU 60 1.609 6.831 6.513 483 H GLN 61 HN GLN 61 5.311 6.178 10.024 484 HA GLN 61 HA GLN 61 7.883 7.323 11.061 485 HB2 GLN 61 HB2 GLN 61 6.029 5.203 12.168 486 HB3 GLN 61 HB1 GLN 61 7.633 5.540 12.826 487 HG2 GLN 61 HG2 GLN 61 6.997 7.876 13.235 488 HG3 GLN 61 HG1 GLN 61 5.406 7.578 12.532 489 HE21 GLN 61 HE21 GLN 61 6.265 8.309 15.387 490 HE22 GLN 61 HE22 GLN 61 5.521 7.132 16.358 491 H ASP 62 HN ASP 62 9.751 6.270 10.605 492 HA ASP 62 HA ASP 62 9.841 4.403 8.453 493 HB2 ASP 62 HB2 ASP 62 12.253 4.245 8.993 494 HB3 ASP 62 HB1 ASP 62 11.692 5.917 8.947 495 H SER 63 HN SER 63 10.154 2.233 8.379 496 HA SER 63 HA SER 63 9.985 0.019 9.035 497 HB2 SER 63 HB2 SER 63 12.098 0.212 10.076 498 HB3 SER 63 HB1 SER 63 11.469 1.216 11.375 499 HG SER 63 HG SER 63 11.302 -1.544 10.971 500 H ASP 64 HN ASP 64 7.666 0.250 9.036 501 HA ASP 64 HA ASP 64 6.542 -0.569 11.598 502 HB2 ASP 64 HB2 ASP 64 4.863 1.257 11.751 503 HB3 ASP 64 HB1 ASP 64 6.510 1.845 11.975 504 H VAL 65 HN VAL 65 4.990 -2.033 11.151 505 HA VAL 65 HA VAL 65 4.063 -2.394 8.411 506 HB VAL 65 HB VAL 65 3.070 -3.800 10.895 507 HG11 VAL 65 HG11 VAL 65 1.810 -4.111 8.747 508 HG12 VAL 65 HG12 VAL 65 2.547 -5.599 9.338 509 HG13 VAL 65 HG13 VAL 65 3.295 -4.713 8.009 510 HG21 VAL 65 HG21 VAL 65 5.448 -4.043 10.955 511 HG22 VAL 65 HG22 VAL 65 5.542 -4.250 9.206 512 HG23 VAL 65 HG23 VAL 65 4.841 -5.520 10.207 513 H VAL 66 HN VAL 66 2.372 -1.308 7.565 514 HA VAL 66 HA VAL 66 0.058 -0.672 9.342 515 HB VAL 66 HB VAL 66 -0.069 1.598 8.387 516 HG11 VAL 66 HG11 VAL 66 1.626 2.559 9.731 517 HG12 VAL 66 HG12 VAL 66 2.737 1.219 9.444 518 HG13 VAL 66 HG13 VAL 66 1.332 0.991 10.480 519 HG21 VAL 66 HG21 VAL 66 1.897 2.450 7.103 520 HG22 VAL 66 HG22 VAL 66 1.020 1.189 6.240 521 HG23 VAL 66 HG23 VAL 66 2.539 0.809 7.053 522 H ARG 67 HN ARG 67 -1.872 -0.088 8.077 523 HA ARG 67 HA ARG 67 -1.914 -1.388 5.378 524 HB2 ARG 67 HB2 ARG 67 -3.133 -2.685 7.114 525 HB3 ARG 67 HB1 ARG 67 -4.134 -1.269 7.438 526 HG2 ARG 67 HG2 ARG 67 -4.971 -1.288 5.146 527 HG3 ARG 67 HG1 ARG 67 -3.904 -2.629 4.739 528 HD2 ARG 67 HD2 ARG 67 -6.130 -3.508 5.178 529 HD3 ARG 67 HD1 ARG 67 -5.054 -4.008 6.480 530 HE ARG 67 HE ARG 67 -6.220 -2.560 7.968 531 HH11 ARG 67 HH21 ARG 67 -7.169 -2.165 4.670 532 HH12 ARG 67 HH22 ARG 67 -8.559 -1.206 5.051 533 HH21 ARG 67 HH11 ARG 67 -8.032 -1.310 8.471 534 HH22 ARG 67 HH12 ARG 67 -9.046 -0.722 7.198 535 H ILE 68 HN ILE 68 -2.542 -0.043 3.756 536 HA ILE 68 HA ILE 68 -3.747 2.593 4.521 537 HB ILE 68 HB ILE 68 -2.297 1.782 1.984 538 HG12 ILE 68 HG12 ILE 68 -1.384 3.548 4.276 539 HG13 ILE 68 HG11 ILE 68 -0.909 1.859 4.092 540 HG21 ILE 68 HG21 ILE 68 -3.243 4.474 3.027 541 HG22 ILE 68 HG22 ILE 68 -3.939 3.603 1.663 542 HG23 ILE 68 HG23 ILE 68 -2.295 4.226 1.561 543 HD11 ILE 68 HD11 ILE 68 0.014 2.415 1.834 544 HD12 ILE 68 HD12 ILE 68 0.829 3.271 3.142 545 HD13 ILE 68 HD13 ILE 68 -0.355 4.112 2.141 546 H ASP 69 HN ASP 69 -5.792 2.997 3.922 547 HA ASP 69 HA ASP 69 -7.104 1.165 1.937 548 HB2 ASP 69 HB2 ASP 69 -7.977 1.004 4.251 549 HB3 ASP 69 HB1 ASP 69 -8.329 2.730 4.226 550 H ASN 70 HN ASN 70 -8.262 2.095 0.279 551 HA ASN 70 HA ASN 70 -8.957 3.719 -1.241 552 HB2 ASN 70 HB2 ASN 70 -10.176 4.520 0.872 553 HB3 ASN 70 HB1 ASN 70 -8.883 5.705 1.034 554 HD21 ASN 70 HD21 ASN 70 -10.146 7.580 0.491 555 HD22 ASN 70 HD22 ASN 70 -10.821 7.810 -1.050 556 H ALA 71 HN ALA 71 -6.182 3.204 -1.035 557 HA ALA 71 HA ALA 71 -4.681 5.687 -0.931 558 HB1 ALA 71 HB1 ALA 71 -3.768 3.202 -2.382 559 HB2 ALA 71 HB2 ALA 71 -3.828 3.244 -0.624 560 HB3 ALA 71 HB3 ALA 71 -2.803 4.382 -1.495 561 H ARG 72 HN ARG 72 -3.853 6.878 -2.730 562 HA ARG 72 HA ARG 72 -5.452 6.555 -5.228 563 HB2 ARG 72 HB2 ARG 72 -5.381 8.763 -3.966 564 HB3 ARG 72 HB1 ARG 72 -3.694 8.891 -4.465 565 HG2 ARG 72 HG2 ARG 72 -4.345 8.763 -6.818 566 HG3 ARG 72 HG1 ARG 72 -6.034 8.536 -6.363 567 HD2 ARG 72 HD2 ARG 72 -5.699 10.869 -6.952 568 HD3 ARG 72 HD1 ARG 72 -5.961 10.764 -5.212 569 HE ARG 72 HE ARG 72 -3.152 10.620 -5.754 570 HH11 ARG 72 HH21 ARG 72 -5.854 12.764 -5.799 571 HH12 ARG 72 HH22 ARG 72 -4.902 14.179 -5.497 572 HH21 ARG 72 HH11 ARG 72 -1.899 12.455 -5.359 573 HH22 ARG 72 HH12 ARG 72 -2.664 14.005 -5.249 574 H VAL 73 HN VAL 73 -4.488 5.717 -6.987 575 HA VAL 73 HA VAL 73 -1.580 5.224 -6.965 576 HB VAL 73 HB VAL 73 -3.815 4.382 -8.826 577 HG11 VAL 73 HG11 VAL 73 -0.826 3.926 -8.984 578 HG12 VAL 73 HG12 VAL 73 -1.899 4.546 -10.239 579 HG13 VAL 73 HG13 VAL 73 -1.984 2.850 -9.766 580 HG21 VAL 73 HG21 VAL 73 -3.661 3.323 -6.562 581 HG22 VAL 73 HG22 VAL 73 -2.022 2.802 -6.959 582 HG23 VAL 73 HG23 VAL 73 -3.393 2.180 -7.879 583 H ALA 74 HN ALA 74 -0.123 6.310 -8.234 584 HA ALA 74 HA ALA 74 -1.106 8.005 -10.467 585 HB1 ALA 74 HB1 ALA 74 -1.124 9.591 -8.649 586 HB2 ALA 74 HB2 ALA 74 0.338 9.904 -9.585 587 HB3 ALA 74 HB3 ALA 74 0.439 9.021 -8.062 588 H GLN 75 HN GLN 75 0.662 8.619 -11.912 589 HA GLN 75 HA GLN 75 3.039 6.797 -11.661 590 HB2 GLN 75 HB2 GLN 75 1.570 6.291 -13.570 591 HB3 GLN 75 HB1 GLN 75 1.716 7.957 -14.132 592 HG2 GLN 75 HG2 GLN 75 4.084 7.697 -14.506 593 HG3 GLN 75 HG1 GLN 75 4.081 6.109 -13.741 594 HE21 GLN 75 HE21 GLN 75 1.238 5.972 -15.301 595 HE22 GLN 75 HE22 GLN 75 1.733 5.394 -16.817 596 H PHE 76 HN PHE 76 4.851 7.917 -11.112 597 HA PHE 76 HA PHE 76 5.235 10.672 -12.251 598 HB2 PHE 76 HB2 PHE 76 5.830 9.632 -9.472 599 HB3 PHE 76 HB1 PHE 76 6.566 11.102 -10.113 600 HD1 PHE 76 HD1 PHE 76 4.950 12.868 -11.136 601 HD2 PHE 76 HD2 PHE 76 3.703 9.751 -8.457 602 HE1 PHE 76 HE1 PHE 76 2.906 14.159 -10.587 603 HE2 PHE 76 HE2 PHE 76 1.657 11.041 -7.908 604 HZ PHE 76 HZ PHE 76 1.259 13.245 -8.973 605 H ASN 77 HN ASN 77 7.201 11.074 -13.151 606 HA ASN 77 HA ASN 77 9.279 10.613 -14.107 607 HB2 ASN 77 HB2 ASN 77 9.981 10.716 -11.729 608 HB3 ASN 77 HB1 ASN 77 9.670 8.992 -11.569 609 HD21 ASN 77 HD21 ASN 77 11.430 11.130 -13.900 610 HD22 ASN 77 HD22 ASN 77 12.800 10.131 -14.001 611 H GLY 78 HN GLY 78 6.924 8.737 -14.473 612 HA2 GLY 78 HA2 GLY 78 6.641 6.890 -15.920 613 HA3 GLY 78 HA1 GLY 78 8.395 6.721 -15.985 614 H TYR 79 HN TYR 79 7.385 6.954 -12.786 615 HA TYR 79 HA TYR 79 7.391 3.967 -12.478 616 HB2 TYR 79 HB2 TYR 79 8.533 6.127 -10.693 617 HB3 TYR 79 HB1 TYR 79 8.376 4.436 -10.215 618 HD1 TYR 79 HD2 TYR 79 9.568 2.655 -11.527 619 HD2 TYR 79 HD1 TYR 79 10.272 6.838 -12.167 620 HE1 TYR 79 HE2 TYR 79 11.682 2.118 -12.707 621 HE2 TYR 79 HE1 TYR 79 12.385 6.310 -13.345 622 HH TYR 79 HH TYR 79 13.251 3.014 -14.164 623 H LEU 80 HN LEU 80 5.776 3.079 -11.278 624 HA LEU 80 HA LEU 80 3.477 4.738 -10.627 625 HB2 LEU 80 HB2 LEU 80 4.018 1.814 -10.041 626 HB3 LEU 80 HB1 LEU 80 2.447 2.611 -9.955 627 HG LEU 80 HG LEU 80 4.156 2.384 -12.451 628 HD11 LEU 80 HD11 LEU 80 3.116 0.241 -11.592 629 HD12 LEU 80 HD12 LEU 80 2.597 0.720 -13.207 630 HD13 LEU 80 HD13 LEU 80 1.540 0.998 -11.824 631 HD21 LEU 80 HD21 LEU 80 1.819 3.069 -13.454 632 HD22 LEU 80 HD22 LEU 80 2.865 4.315 -12.789 633 HD23 LEU 80 HD23 LEU 80 1.513 3.703 -11.836 634 H SER 81 HN SER 81 2.617 5.133 -8.551 635 HA SER 81 HA SER 81 4.093 4.221 -6.179 636 HB2 SER 81 HB2 SER 81 4.616 6.458 -5.366 637 HB3 SER 81 HB1 SER 81 5.361 6.237 -6.946 638 HG SER 81 HG SER 81 3.486 7.287 -7.824 639 H LEU 82 HN LEU 82 2.929 4.885 -4.174 640 HA LEU 82 HA LEU 82 0.002 5.236 -4.719 641 HB2 LEU 82 HB2 LEU 82 1.404 4.158 -2.256 642 HB3 LEU 82 HB1 LEU 82 -0.336 4.172 -2.543 643 HG LEU 82 HG LEU 82 1.724 2.688 -4.203 644 HD11 LEU 82 HD11 LEU 82 0.847 0.682 -3.219 645 HD12 LEU 82 HD12 LEU 82 -0.464 1.567 -2.437 646 HD13 LEU 82 HD13 LEU 82 1.198 1.787 -1.890 647 HD21 LEU 82 HD21 LEU 82 0.015 3.171 -5.736 648 HD22 LEU 82 HD22 LEU 82 -1.245 3.132 -4.502 649 HD23 LEU 82 HD23 LEU 82 -0.526 1.629 -5.079 650 H SER 83 HN SER 83 -0.888 7.130 -4.166 651 HA SER 83 HA SER 83 0.628 8.961 -2.349 652 HB2 SER 83 HB2 SER 83 -1.411 9.414 -4.531 653 HB3 SER 83 HB1 SER 83 -0.997 10.672 -3.371 654 HG SER 83 HG SER 83 0.249 10.450 -5.466 655 H VAL 84 HN VAL 84 -0.179 9.183 -0.321 656 HA VAL 84 HA VAL 84 -2.962 8.254 0.224 657 HB VAL 84 HB VAL 84 -0.807 9.011 2.206 658 HG11 VAL 84 HG11 VAL 84 -3.358 7.400 2.376 659 HG12 VAL 84 HG12 VAL 84 -3.014 8.933 3.178 660 HG13 VAL 84 HG13 VAL 84 -2.152 7.471 3.660 661 HG21 VAL 84 HG21 VAL 84 -1.407 6.383 0.834 662 HG22 VAL 84 HG22 VAL 84 -0.499 6.483 2.342 663 HG23 VAL 84 HG23 VAL 84 0.129 7.247 0.882 664 H GLY 85 HN GLY 85 -4.459 9.847 0.130 665 HA2 GLY 85 HA2 GLY 85 -3.665 12.653 0.688 666 HA3 GLY 85 HA1 GLY 85 -5.170 12.131 -0.063 667 H ASP 86 HN ASP 86 -5.723 13.876 1.713 668 HA ASP 86 HA ASP 86 -5.858 13.059 4.470 669 HB2 ASP 86 HB2 ASP 86 -6.028 15.408 3.778 670 HB3 ASP 86 HB1 ASP 86 -7.519 15.056 2.907 671 H SER 87 HN SER 87 -7.876 12.471 1.669 672 HA SER 87 HA SER 87 -10.188 11.578 3.210 673 HB2 SER 87 HB2 SER 87 -9.441 11.219 0.294 674 HB3 SER 87 HB1 SER 87 -11.005 10.800 0.986 675 HG SER 87 HG SER 87 -9.945 13.367 1.400 676 H SER 88 HN SER 88 -7.167 10.244 2.586 677 HA SER 88 HA SER 88 -8.058 7.463 2.309 678 HB2 SER 88 HB2 SER 88 -5.316 8.645 2.804 679 HB3 SER 88 HB1 SER 88 -5.644 6.947 2.468 680 HG SER 88 HG SER 88 -5.903 7.419 0.433 681 H ARG 89 HN ARG 89 -7.261 5.802 3.927 682 HA ARG 89 HA ARG 89 -7.247 6.908 6.730 683 HB2 ARG 89 HB2 ARG 89 -8.767 4.533 5.629 684 HB3 ARG 89 HB1 ARG 89 -8.528 4.817 7.353 685 HG2 ARG 89 HG2 ARG 89 -9.637 7.002 7.161 686 HG3 ARG 89 HG1 ARG 89 -9.844 6.755 5.427 687 HD2 ARG 89 HD2 ARG 89 -11.235 4.769 5.868 688 HD3 ARG 89 HD1 ARG 89 -11.023 5.004 7.603 689 HE ARG 89 HE ARG 89 -12.047 7.427 6.598 690 HH11 ARG 89 HH21 ARG 89 -12.929 4.099 6.818 691 HH12 ARG 89 HH22 ARG 89 -14.629 4.421 6.890 692 HH21 ARG 89 HH11 ARG 89 -14.257 7.861 6.691 693 HH22 ARG 89 HH12 ARG 89 -15.382 6.550 6.819 694 H ILE 90 HN ILE 90 -5.786 5.934 8.117 695 HA ILE 90 HA ILE 90 -4.115 3.707 6.984 696 HB ILE 90 HB ILE 90 -3.268 6.047 8.716 697 HG12 ILE 90 HG12 ILE 90 -2.384 5.243 5.930 698 HG13 ILE 90 HG11 ILE 90 -3.650 6.432 6.236 699 HG21 ILE 90 HG21 ILE 90 -0.965 5.003 8.277 700 HG22 ILE 90 HG22 ILE 90 -1.834 3.549 7.787 701 HG23 ILE 90 HG23 ILE 90 -1.995 4.161 9.434 702 HD11 ILE 90 HD11 ILE 90 -1.561 7.616 5.925 703 HD12 ILE 90 HD12 ILE 90 -0.756 6.595 7.117 704 HD13 ILE 90 HD13 ILE 90 -2.008 7.728 7.626 705 H GLU 91 HN GLU 91 -3.992 1.923 8.244 706 HA GLU 91 HA GLU 91 -4.826 2.144 11.122 707 HB2 GLU 91 HB2 GLU 91 -6.553 1.009 9.744 708 HB3 GLU 91 HB1 GLU 91 -5.343 -0.165 9.221 709 HG2 GLU 91 HG2 GLU 91 -4.998 -0.891 11.530 710 HG3 GLU 91 HG1 GLU 91 -6.125 0.337 12.107 711 H SER 92 HN SER 92 -3.076 1.758 12.361 712 HA SER 92 HA SER 92 -0.743 0.381 11.302 713 HB2 SER 92 HB2 SER 92 -1.291 1.130 14.177 714 HB3 SER 92 HB1 SER 92 0.278 0.883 13.415 715 HG SER 92 HG SER 92 0.074 2.764 12.360 716 H VAL 93 HN VAL 93 -0.067 -1.710 11.746 717 HA VAL 93 HA VAL 93 -1.805 -3.378 13.533 718 HB VAL 93 HB VAL 93 -1.483 -5.249 11.908 719 HG11 VAL 93 HG11 VAL 93 -3.521 -3.809 11.927 720 HG12 VAL 93 HG12 VAL 93 -3.158 -4.448 10.323 721 HG13 VAL 93 HG13 VAL 93 -2.766 -2.774 10.716 722 HG21 VAL 93 HG21 VAL 93 0.486 -4.576 10.718 723 HG22 VAL 93 HG22 VAL 93 -0.218 -3.017 10.291 724 HG23 VAL 93 HG23 VAL 93 -0.832 -4.494 9.551 725 H ASN 94 HN ASN 94 -0.659 -4.517 15.001 726 HA ASN 94 HA ASN 94 2.321 -4.591 14.719 727 HB2 ASN 94 HB2 ASN 94 1.407 -3.483 16.743 728 HB3 ASN 94 HB1 ASN 94 0.563 -4.973 17.164 729 HD21 ASN 94 HD21 ASN 94 1.793 -5.369 19.104 730 HD22 ASN 94 HD22 ASN 94 3.439 -5.782 19.063 731 H VAL 95 HN VAL 95 -0.537 -6.592 15.488 732 HA VAL 95 HA VAL 95 0.959 -8.963 14.521 733 HB VAL 95 HB VAL 95 -0.531 -9.234 17.134 734 HG11 VAL 95 HG11 VAL 95 0.731 -11.213 17.370 735 HG12 VAL 95 HG12 VAL 95 1.956 -10.684 16.218 736 HG13 VAL 95 HG13 VAL 95 0.362 -11.170 15.647 737 HG21 VAL 95 HG21 VAL 95 1.056 -7.432 17.567 738 HG22 VAL 95 HG22 VAL 95 2.358 -8.360 16.821 739 HG23 VAL 95 HG23 VAL 95 1.630 -8.917 18.326 740 H ASN 96 HN ASN 96 -1.270 -10.536 15.950 741 HA ASN 96 HA ASN 96 -3.152 -10.493 13.712 742 HB2 ASN 96 HB2 ASN 96 -3.275 -12.059 16.308 743 HB3 ASN 96 HB1 ASN 96 -4.168 -12.406 14.828 744 HD21 ASN 96 HD21 ASN 96 -2.112 -12.064 12.898 745 HD22 ASN 96 HD22 ASN 96 -0.914 -13.238 13.156 746 H ILE 97 HN ILE 97 -3.952 -10.651 17.175 747 HA ILE 97 HA ILE 97 -5.634 -8.216 16.919 748 HB ILE 97 HB ILE 97 -7.493 -9.563 18.105 749 HG12 ILE 97 HG12 ILE 97 -6.004 -11.865 16.806 750 HG13 ILE 97 HG11 ILE 97 -5.967 -11.536 18.538 751 HG21 ILE 97 HG21 ILE 97 -7.631 -8.767 15.764 752 HG22 ILE 97 HG22 ILE 97 -8.390 -10.348 15.948 753 HG23 ILE 97 HG23 ILE 97 -6.785 -10.218 15.227 754 HD11 ILE 97 HD11 ILE 97 -7.691 -13.228 17.959 755 HD12 ILE 97 HD12 ILE 97 -8.482 -12.045 16.919 756 HD13 ILE 97 HD13 ILE 97 -8.407 -11.776 18.660 757 HA PRO 98 HA PRO 98 -3.472 -8.716 21.008 758 HB2 PRO 98 HB2 PRO 98 -2.023 -6.378 20.910 759 HB3 PRO 98 HB1 PRO 98 -1.428 -7.918 20.265 760 HG2 PRO 98 HG2 PRO 98 -2.493 -5.556 18.825 761 HG3 PRO 98 HG1 PRO 98 -1.299 -6.755 18.303 762 HD2 PRO 98 HD2 PRO 98 -4.005 -6.689 17.520 763 HD3 PRO 98 HD1 PRO 98 -2.912 -8.074 17.324 764 H LEU 99 HN LEU 99 -5.601 -6.575 19.505 765 HA LEU 99 HA LEU 99 -5.918 -4.764 21.793 766 HB2 LEU 99 HB2 LEU 99 -6.275 -3.868 19.562 767 HB3 LEU 99 HB1 LEU 99 -7.499 -5.090 19.225 768 HG LEU 99 HG LEU 99 -8.961 -4.161 20.953 769 HD11 LEU 99 HD11 LEU 99 -6.536 -2.472 21.552 770 HD12 LEU 99 HD12 LEU 99 -7.576 -3.359 22.666 771 HD13 LEU 99 HD13 LEU 99 -8.149 -1.864 21.931 772 HD21 LEU 99 HD21 LEU 99 -7.858 -1.902 19.258 773 HD22 LEU 99 HD22 LEU 99 -9.501 -2.061 19.881 774 HD23 LEU 99 HD23 LEU 99 -8.920 -3.166 18.636 775 H GLU 100 HN GLU 100 -7.253 -5.108 23.465 776 HA GLU 100 HA GLU 100 -9.687 -6.731 23.178 777 HB2 GLU 100 HB2 GLU 100 -9.070 -8.211 25.095 778 HB3 GLU 100 HB1 GLU 100 -8.030 -8.464 23.692 779 HG2 GLU 100 HG2 GLU 100 -6.322 -6.992 24.678 780 HG3 GLU 100 HG1 GLU 100 -7.358 -6.722 26.080 781 H HIS 101 HN HIS 101 -8.082 -4.108 24.290 782 HA HIS 101 HA HIS 101 -9.091 -3.781 26.957 783 HB2 HIS 101 HB2 HIS 101 -8.269 -1.744 24.868 784 HB3 HIS 101 HB1 HIS 101 -8.647 -1.342 26.542 785 HD1 HIS 101 HD1 HIS 101 -7.108 -2.641 28.386 786 HD2 HIS 101 HD2 HIS 101 -5.649 -2.560 24.481 787 HE1 HIS 101 HE1 HIS 101 -4.643 -3.204 28.530 788 H HIS 102 HN HIS 102 -10.359 -2.840 23.765 789 HA HIS 102 HA HIS 102 -12.914 -1.979 25.078 790 HB2 HIS 102 HB2 HIS 102 -11.772 -1.358 22.339 791 HB3 HIS 102 HB1 HIS 102 -13.363 -0.845 22.902 792 HD1 HIS 102 HD1 HIS 102 -13.262 0.559 25.288 793 HD2 HIS 102 HD2 HIS 102 -9.783 0.446 22.993 794 HE1 HIS 102 HE1 HIS 102 -11.807 2.466 26.100 795 H HIS 103 HN HIS 103 -14.718 -3.195 24.744 796 HA HIS 103 HA HIS 103 -14.902 -4.939 22.361 797 HB2 HIS 103 HB2 HIS 103 -13.778 -6.372 24.017 798 HB3 HIS 103 HB1 HIS 103 -15.056 -6.033 25.187 799 HD1 HIS 103 HD1 HIS 103 -14.798 -7.387 21.620 800 HD2 HIS 103 HD2 HIS 103 -17.108 -7.873 25.057 801 HE1 HIS 103 HE1 HIS 103 -16.455 -9.236 21.115 802 H HIS 104 HN HIS 104 -17.118 -5.974 22.270 803 HA HIS 104 HA HIS 104 -19.433 -5.613 22.177 804 HB2 HIS 104 HB2 HIS 104 -19.213 -6.488 24.495 805 HB3 HIS 104 HB1 HIS 104 -18.996 -4.838 25.080 806 HD1 HIS 104 HD1 HIS 104 -21.564 -6.843 23.088 807 HD2 HIS 104 HD2 HIS 104 -21.391 -3.580 25.678 808 HE1 HIS 104 HE1 HIS 104 -23.959 -6.134 23.509 809 H HIS 105 HN HIS 105 -17.350 -3.175 22.154 810 HA HIS 105 HA HIS 105 -19.512 -1.110 21.983 811 HB2 HIS 105 HB2 HIS 105 -16.808 -0.803 23.318 812 HB3 HIS 105 HB1 HIS 105 -17.886 0.540 22.937 813 HD1 HIS 105 HD1 HIS 105 -17.376 -2.234 25.351 814 HD2 HIS 105 HD2 HIS 105 -20.372 0.515 24.431 815 HE1 HIS 105 HE1 HIS 105 -19.016 -2.289 27.280 816 H HIS 106 HN HIS 106 -19.220 0.388 20.328 817 HA HIS 106 HA HIS 106 -16.761 0.684 18.852 818 HB2 HIS 106 HB2 HIS 106 -17.484 -0.360 16.739 819 HB3 HIS 106 HB1 HIS 106 -17.406 -1.567 18.022 820 HD1 HIS 106 HD1 HIS 106 -19.762 -2.209 19.154 821 HD2 HIS 106 HD2 HIS 106 -20.008 -0.060 15.589 822 HE1 HIS 106 HE1 HIS 106 -22.137 -2.480 18.316 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 -12.693 -1.033 -3.224 2 H2 SER 1 HT2 SER 1 -12.379 0.448 -3.996 3 H3 SER 1 HT3 SER 1 -13.025 0.424 -2.424 4 HA SER 1 HA SER 1 -10.285 0.060 -3.322 5 HB2 SER 1 HB2 SER 1 -9.907 1.056 -1.034 6 HB3 SER 1 HB1 SER 1 -10.900 2.051 -2.093 7 HG SER 1 HG SER 1 -12.697 1.420 -0.998 8 H ASP 2 HN ASP 2 -10.785 -2.372 -3.515 9 HA ASP 2 HA ASP 2 -10.985 -3.838 -0.983 10 HB2 ASP 2 HB2 ASP 2 -10.794 -5.853 -2.412 11 HB3 ASP 2 HB1 ASP 2 -12.060 -4.763 -2.971 12 H LEU 3 HN LEU 3 -9.346 -5.671 -0.630 13 HA LEU 3 HA LEU 3 -6.705 -4.440 -0.476 14 HB2 LEU 3 HB2 LEU 3 -7.627 -5.774 1.390 15 HB3 LEU 3 HB1 LEU 3 -7.638 -7.200 0.354 16 HG LEU 3 HG LEU 3 -5.176 -6.999 0.081 17 HD11 LEU 3 HD11 LEU 3 -5.648 -4.553 1.766 18 HD12 LEU 3 HD12 LEU 3 -4.584 -4.764 0.376 19 HD13 LEU 3 HD13 LEU 3 -4.125 -5.427 1.942 20 HD21 LEU 3 HD21 LEU 3 -4.624 -7.905 2.209 21 HD22 LEU 3 HD22 LEU 3 -6.325 -8.305 1.963 22 HD23 LEU 3 HD23 LEU 3 -5.877 -6.967 3.021 23 H VAL 4 HN VAL 4 -5.070 -4.761 -1.891 24 HA VAL 4 HA VAL 4 -5.110 -7.185 -3.636 25 HB VAL 4 HB VAL 4 -4.471 -5.768 -5.572 26 HG11 VAL 4 HG11 VAL 4 -6.834 -6.459 -5.126 27 HG12 VAL 4 HG12 VAL 4 -6.714 -4.937 -6.007 28 HG13 VAL 4 HG13 VAL 4 -7.082 -4.931 -4.283 29 HG21 VAL 4 HG21 VAL 4 -5.166 -3.505 -3.670 30 HG22 VAL 4 HG22 VAL 4 -4.853 -3.326 -5.397 31 HG23 VAL 4 HG23 VAL 4 -3.563 -3.855 -4.317 32 H LYS 5 HN LYS 5 -3.007 -7.565 -4.670 33 HA LYS 5 HA LYS 5 -0.836 -7.167 -2.775 34 HB2 LYS 5 HB2 LYS 5 -0.960 -8.462 -5.504 35 HB3 LYS 5 HB1 LYS 5 0.488 -8.443 -4.497 36 HG2 LYS 5 HG2 LYS 5 -0.752 -9.580 -2.689 37 HG3 LYS 5 HG1 LYS 5 -2.199 -9.605 -3.697 38 HD2 LYS 5 HD2 LYS 5 -1.053 -10.990 -5.357 39 HD3 LYS 5 HD1 LYS 5 0.438 -10.918 -4.418 40 HE2 LYS 5 HE2 LYS 5 -0.532 -12.994 -3.811 41 HE3 LYS 5 HE1 LYS 5 -0.946 -11.916 -2.480 42 HZ1 LYS 5 HZ1 LYS 5 -2.858 -11.843 -4.614 43 HZ2 LYS 5 HZ2 LYS 5 -3.102 -12.066 -2.948 44 HZ3 LYS 5 HZ3 LYS 5 -2.704 -13.390 -3.936 45 H ILE 6 HN ILE 6 1.242 -6.243 -3.371 46 HA ILE 6 HA ILE 6 1.049 -3.615 -4.479 47 HB ILE 6 HB ILE 6 3.535 -5.301 -4.148 48 HG12 ILE 6 HG12 ILE 6 2.305 -5.342 -2.054 49 HG13 ILE 6 HG11 ILE 6 3.668 -4.238 -1.883 50 HG21 ILE 6 HG21 ILE 6 3.015 -2.331 -4.306 51 HG22 ILE 6 HG22 ILE 6 4.049 -3.308 -5.348 52 HG23 ILE 6 HG23 ILE 6 4.520 -2.999 -3.677 53 HD11 ILE 6 HD11 ILE 6 1.906 -2.999 -0.962 54 HD12 ILE 6 HD12 ILE 6 0.737 -3.603 -2.134 55 HD13 ILE 6 HD13 ILE 6 1.935 -2.405 -2.622 56 H ARG 7 HN ARG 7 2.308 -6.654 -5.812 57 HA ARG 7 HA ARG 7 3.220 -5.547 -8.294 58 HB2 ARG 7 HB2 ARG 7 3.240 -7.891 -9.070 59 HB3 ARG 7 HB1 ARG 7 3.946 -7.747 -7.461 60 HG2 ARG 7 HG2 ARG 7 1.792 -8.436 -6.454 61 HG3 ARG 7 HG1 ARG 7 1.095 -8.606 -8.066 62 HD2 ARG 7 HD2 ARG 7 2.792 -10.308 -8.621 63 HD3 ARG 7 HD1 ARG 7 3.479 -10.145 -7.007 64 HE ARG 7 HE ARG 7 1.613 -11.333 -6.122 65 HH11 ARG 7 HH21 ARG 7 1.248 -10.566 -9.468 66 HH12 ARG 7 HH22 ARG 7 -0.100 -11.627 -9.694 67 HH21 ARG 7 HH11 ARG 7 -0.136 -12.718 -6.408 68 HH22 ARG 7 HH12 ARG 7 -0.885 -12.844 -7.965 69 H ASP 8 HN ASP 8 0.053 -6.247 -7.146 70 HA ASP 8 HA ASP 8 -1.108 -6.511 -9.842 71 HB2 ASP 8 HB2 ASP 8 -2.000 -7.714 -7.792 72 HB3 ASP 8 HB1 ASP 8 -2.541 -6.144 -7.200 73 H VAL 9 HN VAL 9 0.039 -3.974 -8.040 74 HA VAL 9 HA VAL 9 -2.041 -2.024 -8.329 75 HB VAL 9 HB VAL 9 0.956 -1.685 -8.105 76 HG11 VAL 9 HG11 VAL 9 0.119 0.351 -9.038 77 HG12 VAL 9 HG12 VAL 9 0.248 0.643 -7.303 78 HG13 VAL 9 HG13 VAL 9 -1.324 0.303 -8.026 79 HG21 VAL 9 HG21 VAL 9 -0.308 -2.805 -6.214 80 HG22 VAL 9 HG22 VAL 9 -1.227 -1.311 -6.037 81 HG23 VAL 9 HG23 VAL 9 0.515 -1.312 -5.763 82 H SER 10 HN SER 10 -2.632 -0.795 -10.031 83 HA SER 10 HA SER 10 -0.834 -0.364 -12.310 84 HB2 SER 10 HB2 SER 10 -2.555 -1.270 -13.931 85 HB3 SER 10 HB1 SER 10 -1.725 -2.500 -12.981 86 HG SER 10 HG SER 10 -4.212 -1.325 -12.281 87 H LEU 11 HN LEU 11 -1.968 1.047 -13.959 88 HA LEU 11 HA LEU 11 -3.219 3.286 -12.670 89 HB2 LEU 11 HB2 LEU 11 -3.025 2.493 -15.582 90 HB3 LEU 11 HB1 LEU 11 -3.621 4.060 -15.031 91 HG LEU 11 HG LEU 11 -0.891 2.935 -14.336 92 HD11 LEU 11 HD11 LEU 11 -0.081 4.700 -15.971 93 HD12 LEU 11 HD12 LEU 11 -1.750 4.839 -16.527 94 HD13 LEU 11 HD13 LEU 11 -0.885 3.312 -16.702 95 HD21 LEU 11 HD21 LEU 11 -2.331 5.520 -13.764 96 HD22 LEU 11 HD22 LEU 11 -0.577 5.547 -13.957 97 HD23 LEU 11 HD23 LEU 11 -1.308 4.553 -12.700 98 H SER 12 HN SER 12 -4.474 0.512 -14.423 99 HA SER 12 HA SER 12 -7.150 1.363 -14.782 100 HB2 SER 12 HB2 SER 12 -7.709 -1.007 -14.907 101 HB3 SER 12 HB1 SER 12 -6.157 -0.749 -15.700 102 HG SER 12 HG SER 12 -5.493 -1.163 -13.266 103 H THR 13 HN THR 13 -5.429 0.590 -11.895 104 HA THR 13 HA THR 13 -7.988 0.549 -10.337 105 HB THR 13 HB THR 13 -6.940 -0.803 -8.715 106 HG1 THR 13 HG1 THR 13 -4.456 -1.019 -9.681 107 HG21 THR 13 HG21 THR 13 -6.265 -2.727 -9.941 108 HG22 THR 13 HG22 THR 13 -5.681 -1.750 -11.287 109 HG23 THR 13 HG23 THR 13 -7.412 -1.872 -10.972 110 HA PRO 14 HA PRO 14 -5.780 4.520 -9.346 111 HB2 PRO 14 HB2 PRO 14 -8.022 6.105 -9.306 112 HB3 PRO 14 HB1 PRO 14 -7.119 5.742 -10.792 113 HG2 PRO 14 HG2 PRO 14 -9.658 4.557 -9.783 114 HG3 PRO 14 HG1 PRO 14 -9.175 4.944 -11.443 115 HD2 PRO 14 HD2 PRO 14 -9.122 2.403 -10.387 116 HD3 PRO 14 HD1 PRO 14 -8.082 2.918 -11.732 117 H TYR 15 HN TYR 15 -8.298 2.679 -7.923 118 HA TYR 15 HA TYR 15 -7.746 3.954 -5.263 119 HB2 TYR 15 HB2 TYR 15 -10.397 2.944 -6.331 120 HB3 TYR 15 HB1 TYR 15 -10.115 3.450 -4.664 121 HD1 TYR 15 HD2 TYR 15 -8.930 5.825 -4.422 122 HD2 TYR 15 HD1 TYR 15 -11.205 4.555 -7.838 123 HE1 TYR 15 HE2 TYR 15 -9.287 8.193 -5.064 124 HE2 TYR 15 HE1 TYR 15 -11.563 6.924 -8.479 125 HH TYR 15 HH TYR 15 -11.084 9.470 -6.432 126 H VAL 16 HN VAL 16 -6.545 2.450 -4.216 127 HA VAL 16 HA VAL 16 -7.658 -0.307 -4.041 128 HB VAL 16 HB VAL 16 -5.390 -1.278 -4.419 129 HG11 VAL 16 HG11 VAL 16 -7.172 -1.111 -6.185 130 HG12 VAL 16 HG12 VAL 16 -5.530 -1.164 -6.827 131 HG13 VAL 16 HG13 VAL 16 -6.398 0.369 -6.748 132 HG21 VAL 16 HG21 VAL 16 -3.683 0.101 -5.499 133 HG22 VAL 16 HG22 VAL 16 -4.116 0.814 -3.947 134 HG23 VAL 16 HG23 VAL 16 -4.747 1.506 -5.440 135 H SER 17 HN SER 17 -6.660 -1.557 -2.295 136 HA SER 17 HA SER 17 -5.585 0.193 -0.107 137 HB2 SER 17 HB2 SER 17 -7.788 -0.604 0.487 138 HB3 SER 17 HB1 SER 17 -7.377 -2.245 -0.002 139 HG SER 17 HG SER 17 -7.242 -1.625 2.338 140 H VAL 18 HN VAL 18 -3.690 -0.487 0.849 141 HA VAL 18 HA VAL 18 -2.661 -3.209 0.151 142 HB VAL 18 HB VAL 18 -0.404 -2.212 -0.170 143 HG11 VAL 18 HG11 VAL 18 -0.948 -1.154 -2.388 144 HG12 VAL 18 HG12 VAL 18 -2.652 -1.222 -1.942 145 HG13 VAL 18 HG13 VAL 18 -1.729 -2.714 -2.128 146 HG21 VAL 18 HG21 VAL 18 -1.924 0.419 -0.138 147 HG22 VAL 18 HG22 VAL 18 -0.207 0.211 -0.481 148 HG23 VAL 18 HG23 VAL 18 -0.829 -0.125 1.134 149 H ILE 19 HN ILE 19 -0.964 -3.950 1.591 150 HA ILE 19 HA ILE 19 -0.728 -2.537 4.180 151 HB ILE 19 HB ILE 19 -2.659 -4.015 4.479 152 HG12 ILE 19 HG12 ILE 19 -0.217 -5.219 5.807 153 HG13 ILE 19 HG11 ILE 19 -0.959 -3.701 6.313 154 HG21 ILE 19 HG21 ILE 19 -0.836 -6.345 3.880 155 HG22 ILE 19 HG22 ILE 19 -1.848 -5.610 2.637 156 HG23 ILE 19 HG23 ILE 19 -2.590 -6.345 4.058 157 HD11 ILE 19 HD11 ILE 19 -2.434 -6.344 6.151 158 HD12 ILE 19 HD12 ILE 19 -3.058 -4.829 6.798 159 HD13 ILE 19 HD13 ILE 19 -1.757 -5.675 7.635 160 H GLY 20 HN GLY 20 1.284 -2.728 5.020 161 HA2 GLY 20 HA2 GLY 20 2.957 -5.016 4.801 162 HA3 GLY 20 HA1 GLY 20 3.370 -3.929 3.472 163 H LYS 21 HN LYS 21 5.474 -3.807 4.597 164 HA LYS 21 HA LYS 21 5.470 -2.057 7.013 165 HB2 LYS 21 HB2 LYS 21 6.679 -4.194 7.199 166 HB3 LYS 21 HB1 LYS 21 7.680 -3.733 5.822 167 HG2 LYS 21 HG2 LYS 21 8.582 -1.844 7.026 168 HG3 LYS 21 HG1 LYS 21 7.465 -2.104 8.365 169 HD2 LYS 21 HD2 LYS 21 9.526 -3.065 9.089 170 HD3 LYS 21 HD1 LYS 21 8.526 -4.429 8.603 171 HE2 LYS 21 HE2 LYS 21 9.691 -4.677 6.535 172 HE3 LYS 21 HE1 LYS 21 10.486 -3.111 6.709 173 HZ1 LYS 21 HZ1 LYS 21 11.337 -4.222 8.909 174 HZ2 LYS 21 HZ2 LYS 21 12.130 -4.482 7.428 175 HZ3 LYS 21 HZ3 LYS 21 11.061 -5.653 8.040 176 H ILE 22 HN ILE 22 6.271 -0.033 6.913 177 HA ILE 22 HA ILE 22 7.275 0.921 4.274 178 HB ILE 22 HB ILE 22 6.153 2.427 6.645 179 HG12 ILE 22 HG12 ILE 22 5.014 2.021 3.865 180 HG13 ILE 22 HG11 ILE 22 4.570 1.022 5.249 181 HG21 ILE 22 HG21 ILE 22 6.153 4.330 4.958 182 HG22 ILE 22 HG22 ILE 22 7.194 3.325 3.948 183 HG23 ILE 22 HG23 ILE 22 7.743 3.844 5.540 184 HD11 ILE 22 HD11 ILE 22 3.894 3.115 6.461 185 HD12 ILE 22 HD12 ILE 22 2.924 2.787 5.025 186 HD13 ILE 22 HD13 ILE 22 4.189 4.014 4.973 187 H THR 23 HN THR 23 9.334 1.563 4.066 188 HA THR 23 HA THR 23 10.933 2.202 6.512 189 HB THR 23 HB THR 23 12.713 0.814 5.855 190 HG1 THR 23 HG1 THR 23 12.956 1.254 3.748 191 HG21 THR 23 HG21 THR 23 10.362 -0.792 4.850 192 HG22 THR 23 HG22 THR 23 10.564 -0.403 6.558 193 HG23 THR 23 HG23 THR 23 11.783 -1.366 5.723 194 H GLY 24 HN GLY 24 12.915 3.436 5.946 195 HA2 GLY 24 HA2 GLY 24 14.181 4.858 4.459 196 HA3 GLY 24 HA1 GLY 24 12.830 4.836 3.322 197 H ILE 25 HN ILE 25 10.843 5.974 4.038 198 HA ILE 25 HA ILE 25 9.782 7.933 4.729 199 HB ILE 25 HB ILE 25 11.616 7.731 7.137 200 HG12 ILE 25 HG12 ILE 25 10.477 5.608 6.814 201 HG13 ILE 25 HG11 ILE 25 9.697 6.463 8.142 202 HG21 ILE 25 HG21 ILE 25 9.616 8.834 8.236 203 HG22 ILE 25 HG22 ILE 25 8.955 9.082 6.621 204 HG23 ILE 25 HG23 ILE 25 10.474 9.851 7.078 205 HD11 ILE 25 HD11 ILE 25 8.689 5.966 5.353 206 HD12 ILE 25 HD12 ILE 25 8.101 7.368 6.245 207 HD13 ILE 25 HD13 ILE 25 7.856 5.746 6.892 208 H HIS 26 HN HIS 26 10.092 9.834 3.802 209 HA HIS 26 HA HIS 26 12.611 11.338 4.297 210 HB2 HIS 26 HB2 HIS 26 11.556 10.466 1.601 211 HB3 HIS 26 HB1 HIS 26 12.561 11.906 1.759 212 HD1 HIS 26 HD1 HIS 26 12.738 8.235 1.609 213 HD2 HIS 26 HD2 HIS 26 15.207 11.326 2.924 214 HE1 HIS 26 HE1 HIS 26 15.058 7.249 1.842 215 H LYS 27 HN LYS 27 12.245 13.533 4.420 216 HA LYS 27 HA LYS 27 9.414 14.433 4.087 217 HB2 LYS 27 HB2 LYS 27 10.516 14.683 6.322 218 HB3 LYS 27 HB1 LYS 27 11.685 15.769 5.571 219 HG2 LYS 27 HG2 LYS 27 9.954 17.338 4.970 220 HG3 LYS 27 HG1 LYS 27 8.692 16.212 5.469 221 HD2 LYS 27 HD2 LYS 27 8.927 17.791 7.257 222 HD3 LYS 27 HD1 LYS 27 9.687 16.299 7.806 223 HE2 LYS 27 HE2 LYS 27 11.879 17.156 7.428 224 HE3 LYS 27 HE1 LYS 27 11.268 18.515 6.485 225 HZ1 LYS 27 HZ1 LYS 27 10.942 18.050 9.395 226 HZ2 LYS 27 HZ2 LYS 27 10.107 19.255 8.538 227 HZ3 LYS 27 HZ3 LYS 27 11.802 19.303 8.642 228 H LYS 28 HN LYS 28 8.927 15.863 2.519 229 HA LYS 28 HA LYS 28 11.047 17.608 1.379 230 HB2 LYS 28 HB2 LYS 28 9.362 15.657 -0.204 231 HB3 LYS 28 HB1 LYS 28 10.222 17.009 -0.940 232 HG2 LYS 28 HG2 LYS 28 12.349 16.154 -0.020 233 HG3 LYS 28 HG1 LYS 28 11.489 14.791 0.695 234 HD2 LYS 28 HD2 LYS 28 10.778 14.045 -1.534 235 HD3 LYS 28 HD1 LYS 28 11.588 15.429 -2.267 236 HE2 LYS 28 HE2 LYS 28 13.148 13.665 -2.498 237 HE3 LYS 28 HE1 LYS 28 13.724 14.562 -1.092 238 HZ1 LYS 28 HZ1 LYS 28 12.090 12.883 0.105 239 HZ2 LYS 28 HZ2 LYS 28 13.713 12.493 -0.214 240 HZ3 LYS 28 HZ3 LYS 28 12.482 11.927 -1.240 241 H GLU 29 HN GLU 29 10.051 19.284 -0.066 242 HA GLU 29 HA GLU 29 7.250 19.941 0.794 243 HB2 GLU 29 HB2 GLU 29 9.635 21.744 0.358 244 HB3 GLU 29 HB1 GLU 29 7.985 22.345 0.535 245 HG2 GLU 29 HG2 GLU 29 7.807 21.283 2.734 246 HG3 GLU 29 HG1 GLU 29 9.427 20.606 2.559 247 H TYR 30 HN TYR 30 5.876 20.810 -0.777 248 HA TYR 30 HA TYR 30 6.935 21.102 -3.543 249 HB2 TYR 30 HB2 TYR 30 5.205 19.671 -4.470 250 HB3 TYR 30 HB1 TYR 30 6.124 18.756 -3.276 251 HD1 TYR 30 HD2 TYR 30 5.175 18.839 -0.800 252 HD2 TYR 30 HD1 TYR 30 2.866 19.704 -4.322 253 HE1 TYR 30 HE2 TYR 30 3.083 18.379 0.453 254 HE2 TYR 30 HE1 TYR 30 0.779 19.239 -3.066 255 HH TYR 30 HH TYR 30 -0.095 18.529 -1.155 256 H GLU 31 HN GLU 31 5.324 22.139 -4.977 257 HA GLU 31 HA GLU 31 3.886 24.263 -3.524 258 HB2 GLU 31 HB2 GLU 31 4.413 23.761 -6.464 259 HB3 GLU 31 HB1 GLU 31 3.526 25.156 -5.857 260 HG2 GLU 31 HG2 GLU 31 5.713 25.991 -6.051 261 HG3 GLU 31 HG1 GLU 31 5.633 25.538 -4.350 262 H SER 32 HN SER 32 1.833 23.842 -2.901 263 HA SER 32 HA SER 32 0.113 22.114 -4.639 264 HB2 SER 32 HB2 SER 32 0.619 21.483 -2.189 265 HB3 SER 32 HB1 SER 32 -0.449 22.816 -1.764 266 HG SER 32 HG SER 32 -1.183 20.813 -3.617 267 H ASP 33 HN ASP 33 -1.013 23.444 -5.954 268 HA ASP 33 HA ASP 33 -2.411 25.176 -6.652 269 HB2 ASP 33 HB2 ASP 33 -3.850 23.973 -4.963 270 HB3 ASP 33 HB1 ASP 33 -3.362 25.178 -3.772 271 H GLY 34 HN GLY 34 0.243 25.876 -5.526 272 HA2 GLY 34 HA2 GLY 34 1.303 28.020 -5.508 273 HA3 GLY 34 HA1 GLY 34 -0.266 28.774 -5.219 274 H THR 35 HN THR 35 0.145 26.117 -3.202 275 HA THR 35 HA THR 35 1.166 27.838 -0.964 276 HB THR 35 HB THR 35 -0.978 25.705 -0.855 277 HG1 THR 35 HG1 THR 35 -2.290 27.313 -1.100 278 HG21 THR 35 HG21 THR 35 -1.207 26.561 1.509 279 HG22 THR 35 HG22 THR 35 0.296 27.449 1.264 280 HG23 THR 35 HG23 THR 35 0.291 25.686 1.192 281 H THR 36 HN THR 36 2.931 27.030 0.002 282 HA THR 36 HA THR 36 4.070 24.517 -0.869 283 HB THR 36 HB THR 36 4.890 26.258 1.466 284 HG1 THR 36 HG1 THR 36 5.946 26.263 -1.150 285 HG21 THR 36 HG21 THR 36 7.145 25.242 0.898 286 HG22 THR 36 HG22 THR 36 6.284 24.114 -0.149 287 HG23 THR 36 HG23 THR 36 5.971 24.119 1.586 288 H LYS 37 HN LYS 37 3.867 22.538 0.023 289 HA LYS 37 HA LYS 37 2.826 22.291 2.810 290 HB2 LYS 37 HB2 LYS 37 1.758 20.881 0.354 291 HB3 LYS 37 HB1 LYS 37 1.383 20.387 2.005 292 HG2 LYS 37 HG2 LYS 37 0.470 22.653 2.455 293 HG3 LYS 37 HG1 LYS 37 0.799 23.100 0.780 294 HD2 LYS 37 HD2 LYS 37 -0.698 21.300 0.002 295 HD3 LYS 37 HD1 LYS 37 -1.025 20.849 1.676 296 HE2 LYS 37 HE2 LYS 37 -1.979 23.073 2.106 297 HE3 LYS 37 HE1 LYS 37 -1.631 23.556 0.445 298 HZ1 LYS 37 HZ1 LYS 37 -3.174 22.023 -0.388 299 HZ2 LYS 37 HZ2 LYS 37 -3.961 22.749 0.931 300 HZ3 LYS 37 HZ3 LYS 37 -3.295 21.193 1.086 301 H SER 38 HN SER 38 3.584 20.465 3.901 302 HA SER 38 HA SER 38 6.048 19.314 2.821 303 HB2 SER 38 HB2 SER 38 6.255 18.272 5.021 304 HB3 SER 38 HB1 SER 38 5.815 19.969 5.204 305 HG SER 38 HG SER 38 4.409 17.689 5.819 306 H VAL 39 HN VAL 39 6.408 17.105 2.390 307 HA VAL 39 HA VAL 39 4.028 15.312 2.339 308 HB VAL 39 HB VAL 39 4.372 16.455 0.094 309 HG11 VAL 39 HG11 VAL 39 6.763 14.616 -0.123 310 HG12 VAL 39 HG12 VAL 39 6.918 16.325 0.281 311 HG13 VAL 39 HG13 VAL 39 6.232 15.845 -1.270 312 HG21 VAL 39 HG21 VAL 39 4.163 14.304 -1.163 313 HG22 VAL 39 HG22 VAL 39 3.139 14.370 0.270 314 HG23 VAL 39 HG23 VAL 39 4.640 13.446 0.301 315 H TYR 40 HN TYR 40 4.513 13.217 2.827 316 HA TYR 40 HA TYR 40 7.371 12.598 3.446 317 HB2 TYR 40 HB2 TYR 40 4.769 11.396 4.420 318 HB3 TYR 40 HB1 TYR 40 6.357 10.740 4.816 319 HD1 TYR 40 HD1 TYR 40 4.154 13.712 5.155 320 HD2 TYR 40 HD2 TYR 40 7.789 11.801 6.415 321 HE1 TYR 40 HE1 TYR 40 4.398 15.377 6.977 322 HE2 TYR 40 HE2 TYR 40 8.035 13.465 8.235 323 HH TYR 40 HH TYR 40 5.546 15.944 8.805 324 H GLN 41 HN GLN 41 8.401 11.029 2.306 325 HA GLN 41 HA GLN 41 6.777 9.214 0.568 326 HB2 GLN 41 HB2 GLN 41 9.318 10.692 -0.131 327 HB3 GLN 41 HB1 GLN 41 8.643 9.389 -1.108 328 HG2 GLN 41 HG2 GLN 41 6.571 10.661 -1.410 329 HG3 GLN 41 HG1 GLN 41 7.193 11.953 -0.387 330 HE21 GLN 41 HE21 GLN 41 6.813 11.084 -3.594 331 HE22 GLN 41 HE22 GLN 41 8.055 12.019 -4.274 332 H GLY 42 HN GLY 42 7.814 7.168 0.105 333 HA2 GLY 42 HA2 GLY 42 10.324 6.417 1.276 334 HA3 GLY 42 HA1 GLY 42 9.018 5.967 2.376 335 H TYR 43 HN TYR 43 9.862 3.758 1.874 336 HA TYR 43 HA TYR 43 8.698 2.677 -0.674 337 HB2 TYR 43 HB2 TYR 43 11.086 1.730 0.926 338 HB3 TYR 43 HB1 TYR 43 10.417 0.882 -0.468 339 HD1 TYR 43 HD2 TYR 43 12.132 3.969 0.656 340 HD2 TYR 43 HD1 TYR 43 10.748 1.689 -2.709 341 HE1 TYR 43 HE2 TYR 43 13.442 5.423 -0.868 342 HE2 TYR 43 HE1 TYR 43 12.056 3.141 -4.234 343 HH TYR 43 HH TYR 43 12.961 5.818 -3.893 344 H ILE 44 HN ILE 44 7.438 0.835 -0.509 345 HA ILE 44 HA ILE 44 7.008 -0.294 2.223 346 HB ILE 44 HB ILE 44 5.185 1.322 1.614 347 HG12 ILE 44 HG12 ILE 44 4.236 -1.552 1.668 348 HG13 ILE 44 HG11 ILE 44 4.885 -0.725 3.083 349 HG21 ILE 44 HG21 ILE 44 5.299 0.780 -0.865 350 HG22 ILE 44 HG22 ILE 44 3.673 0.819 -0.186 351 HG23 ILE 44 HG23 ILE 44 4.459 -0.728 -0.498 352 HD11 ILE 44 HD11 ILE 44 2.450 0.084 1.475 353 HD12 ILE 44 HD12 ILE 44 3.156 1.058 2.766 354 HD13 ILE 44 HD13 ILE 44 2.472 -0.527 3.129 355 H GLU 45 HN GLU 45 6.964 -2.501 2.253 356 HA GLU 45 HA GLU 45 6.606 -3.933 -0.347 357 HB2 GLU 45 HB2 GLU 45 8.582 -5.316 0.086 358 HB3 GLU 45 HB1 GLU 45 9.036 -3.614 0.027 359 HG2 GLU 45 HG2 GLU 45 8.936 -3.521 2.511 360 HG3 GLU 45 HG1 GLU 45 8.571 -5.246 2.543 361 H ASP 46 HN ASP 46 6.025 -6.153 -0.128 362 HA ASP 46 HA ASP 46 5.447 -7.179 2.590 363 HB2 ASP 46 HB2 ASP 46 3.057 -7.609 2.061 364 HB3 ASP 46 HB1 ASP 46 3.435 -5.890 2.144 365 H ASP 47 HN ASP 47 6.679 -8.952 2.212 366 HA ASP 47 HA ASP 47 7.600 -10.717 0.771 367 HB2 ASP 47 HB2 ASP 47 6.288 -12.682 1.367 368 HB3 ASP 47 HB1 ASP 47 6.337 -11.570 2.735 369 H THR 48 HN THR 48 6.971 -9.177 -1.185 370 HA THR 48 HA THR 48 5.904 -10.884 -3.264 371 HB THR 48 HB THR 48 4.319 -8.362 -2.713 372 HG1 THR 48 HG1 THR 48 2.768 -9.677 -1.774 373 HG21 THR 48 HG21 THR 48 2.683 -9.528 -4.203 374 HG22 THR 48 HG22 THR 48 3.866 -10.816 -4.431 375 HG23 THR 48 HG23 THR 48 4.222 -9.183 -4.992 376 H ALA 49 HN ALA 49 6.272 -7.412 -2.452 377 HA ALA 49 HA ALA 49 8.547 -7.077 -4.171 378 HB1 ALA 49 HB1 ALA 49 7.440 -5.653 -5.910 379 HB2 ALA 49 HB2 ALA 49 5.878 -6.163 -5.274 380 HB3 ALA 49 HB3 ALA 49 6.961 -7.350 -6.000 381 H ARG 50 HN ARG 50 8.353 -4.420 -4.836 382 HA ARG 50 HA ARG 50 7.532 -3.002 -2.351 383 HB2 ARG 50 HB2 ARG 50 9.689 -1.821 -2.267 384 HB3 ARG 50 HB1 ARG 50 9.924 -3.560 -2.119 385 HG2 ARG 50 HG2 ARG 50 10.473 -3.689 -4.531 386 HG3 ARG 50 HG1 ARG 50 10.272 -1.941 -4.663 387 HD2 ARG 50 HD2 ARG 50 12.071 -1.619 -2.992 388 HD3 ARG 50 HD1 ARG 50 12.288 -3.365 -2.900 389 HE ARG 50 HE ARG 50 12.523 -2.610 -5.622 390 HH11 ARG 50 HH21 ARG 50 14.117 -2.185 -2.589 391 HH12 ARG 50 HH22 ARG 50 15.685 -2.008 -3.297 392 HH21 ARG 50 HH11 ARG 50 14.556 -2.381 -6.549 393 HH22 ARG 50 HH12 ARG 50 15.936 -2.119 -5.535 394 H ILE 51 HN ILE 51 7.089 -0.775 -2.646 395 HA ILE 51 HA ILE 51 7.351 0.347 -5.367 396 HB ILE 51 HB ILE 51 5.143 -0.804 -5.333 397 HG12 ILE 51 HG12 ILE 51 4.809 2.204 -5.265 398 HG13 ILE 51 HG11 ILE 51 5.634 1.373 -6.583 399 HG21 ILE 51 HG21 ILE 51 4.411 1.233 -3.210 400 HG22 ILE 51 HG22 ILE 51 4.805 -0.448 -2.843 401 HG23 ILE 51 HG23 ILE 51 3.401 -0.068 -3.840 402 HD11 ILE 51 HD11 ILE 51 3.676 0.188 -7.210 403 HD12 ILE 51 HD12 ILE 51 3.132 1.838 -6.909 404 HD13 ILE 51 HD13 ILE 51 2.857 0.585 -5.699 405 H ARG 52 HN ARG 52 7.154 2.639 -5.394 406 HA ARG 52 HA ARG 52 7.976 3.910 -2.905 407 HB2 ARG 52 HB2 ARG 52 7.435 4.924 -5.695 408 HB3 ARG 52 HB1 ARG 52 7.881 6.004 -4.373 409 HG2 ARG 52 HG2 ARG 52 9.939 4.708 -4.004 410 HG3 ARG 52 HG1 ARG 52 9.483 3.614 -5.308 411 HD2 ARG 52 HD2 ARG 52 9.819 6.593 -5.716 412 HD3 ARG 52 HD1 ARG 52 11.131 5.439 -5.953 413 HE ARG 52 HE ARG 52 8.886 5.854 -7.749 414 HH11 ARG 52 HH21 ARG 52 11.201 3.598 -6.522 415 HH12 ARG 52 HH22 ARG 52 11.158 2.596 -7.934 416 HH21 ARG 52 HH11 ARG 52 8.831 4.561 -9.577 417 HH22 ARG 52 HH12 ARG 52 9.817 3.141 -9.663 418 H ILE 53 HN ILE 53 6.810 5.473 -1.734 419 HA ILE 53 HA ILE 53 3.912 5.772 -2.425 420 HB ILE 53 HB ILE 53 3.361 5.511 -0.040 421 HG12 ILE 53 HG12 ILE 53 6.268 4.694 0.319 422 HG13 ILE 53 HG11 ILE 53 5.624 6.257 0.822 423 HG21 ILE 53 HG21 ILE 53 3.493 3.151 -0.009 424 HG22 ILE 53 HG22 ILE 53 5.039 3.135 -0.854 425 HG23 ILE 53 HG23 ILE 53 3.564 3.549 -1.725 426 HD11 ILE 53 HD11 ILE 53 5.688 4.580 2.677 427 HD12 ILE 53 HD12 ILE 53 4.551 3.584 1.769 428 HD13 ILE 53 HD13 ILE 53 4.065 5.180 2.343 429 H SER 54 HN SER 54 2.924 7.672 -1.480 430 HA SER 54 HA SER 54 4.749 9.717 -0.377 431 HB2 SER 54 HB2 SER 54 4.836 10.008 -2.846 432 HB3 SER 54 HB1 SER 54 3.084 10.183 -2.860 433 HG SER 54 HG SER 54 4.766 12.091 -2.575 434 H SER 55 HN SER 55 3.728 10.762 1.229 435 HA SER 55 HA SER 55 0.730 10.804 1.233 436 HB2 SER 55 HB2 SER 55 0.679 10.159 3.455 437 HB3 SER 55 HB1 SER 55 2.156 9.338 2.960 438 HG SER 55 HG SER 55 3.126 10.535 4.377 439 H PHE 56 HN PHE 56 -0.227 12.729 1.681 440 HA PHE 56 HA PHE 56 1.585 15.083 1.869 441 HB2 PHE 56 HB2 PHE 56 -1.373 14.904 1.276 442 HB3 PHE 56 HB1 PHE 56 -0.401 16.375 1.205 443 HD1 PHE 56 HD2 PHE 56 1.697 16.326 -0.325 444 HD2 PHE 56 HD1 PHE 56 -1.534 13.509 -0.624 445 HE1 PHE 56 HE2 PHE 56 2.401 15.763 -2.634 446 HE2 PHE 56 HE1 PHE 56 -0.828 12.947 -2.935 447 HZ PHE 56 HZ PHE 56 1.140 14.075 -3.939 448 H GLY 57 HN GLY 57 1.955 15.944 3.813 449 HA2 GLY 57 HA2 GLY 57 1.506 16.896 5.912 450 HA3 GLY 57 HA1 GLY 57 -0.206 16.632 5.613 451 H LYS 58 HN LYS 58 0.552 13.648 5.150 452 HA LYS 58 HA LYS 58 0.129 12.916 7.965 453 HB2 LYS 58 HB2 LYS 58 0.290 11.288 5.433 454 HB3 LYS 58 HB1 LYS 58 -0.001 10.583 7.024 455 HG2 LYS 58 HG2 LYS 58 -1.982 12.051 7.293 456 HG3 LYS 58 HG1 LYS 58 -1.698 12.712 5.683 457 HD2 LYS 58 HD2 LYS 58 -1.950 10.430 4.727 458 HD3 LYS 58 HD1 LYS 58 -2.314 9.817 6.341 459 HE2 LYS 58 HE2 LYS 58 -3.893 12.003 4.955 460 HE3 LYS 58 HE1 LYS 58 -4.367 10.306 4.987 461 HZ1 LYS 58 HZ1 LYS 58 -4.354 12.275 7.146 462 HZ2 LYS 58 HZ2 LYS 58 -4.000 10.663 7.553 463 HZ3 LYS 58 HZ3 LYS 58 -5.475 11.051 6.805 464 H GLN 59 HN GLN 59 1.576 11.971 9.312 465 HA GLN 59 HA GLN 59 4.403 11.888 8.415 466 HB2 GLN 59 HB2 GLN 59 3.814 13.154 10.459 467 HB3 GLN 59 HB1 GLN 59 3.218 11.664 11.192 468 HG2 GLN 59 HG2 GLN 59 5.423 10.657 11.063 469 HG3 GLN 59 HG1 GLN 59 6.043 12.045 10.169 470 HE21 GLN 59 HE21 GLN 59 7.166 11.208 12.690 471 HE22 GLN 59 HE22 GLN 59 6.865 12.432 13.826 472 H LEU 60 HN LEU 60 5.613 10.025 8.434 473 HA LEU 60 HA LEU 60 4.276 7.478 9.281 474 HB2 LEU 60 HB2 LEU 60 5.916 7.968 6.785 475 HB3 LEU 60 HB1 LEU 60 5.310 6.395 7.302 476 HG LEU 60 HG LEU 60 3.566 8.807 6.721 477 HD11 LEU 60 HD11 LEU 60 4.720 7.932 4.699 478 HD12 LEU 60 HD12 LEU 60 2.977 7.671 4.638 479 HD13 LEU 60 HD13 LEU 60 4.056 6.334 5.035 480 HD21 LEU 60 HD21 LEU 60 3.031 5.961 7.569 481 HD22 LEU 60 HD22 LEU 60 1.843 6.810 6.577 482 HD23 LEU 60 HD23 LEU 60 2.291 7.453 8.155 483 H GLN 61 HN GLN 61 5.722 5.837 9.972 484 HA GLN 61 HA GLN 61 8.430 6.846 10.767 485 HB2 GLN 61 HB2 GLN 61 6.548 4.887 12.091 486 HB3 GLN 61 HB1 GLN 61 8.232 5.077 12.580 487 HG2 GLN 61 HG2 GLN 61 7.854 7.450 13.049 488 HG3 GLN 61 HG1 GLN 61 6.187 7.315 12.489 489 HE21 GLN 61 HE21 GLN 61 7.595 7.763 15.292 490 HE22 GLN 61 HE22 GLN 61 6.726 6.715 16.304 491 H ASP 62 HN ASP 62 10.158 5.324 10.711 492 HA ASP 62 HA ASP 62 10.156 3.637 8.372 493 HB2 ASP 62 HB2 ASP 62 12.123 4.183 10.582 494 HB3 ASP 62 HB1 ASP 62 12.449 2.934 9.380 495 H SER 63 HN SER 63 10.311 1.398 8.228 496 HA SER 63 HA SER 63 9.683 -0.778 8.767 497 HB2 SER 63 HB2 SER 63 10.667 -0.236 11.568 498 HB3 SER 63 HB1 SER 63 10.782 -1.722 10.627 499 HG SER 63 HG SER 63 11.962 0.567 9.571 500 H ASP 64 HN ASP 64 7.716 1.318 9.129 501 HA ASP 64 HA ASP 64 6.189 0.424 11.528 502 HB2 ASP 64 HB2 ASP 64 6.501 2.873 10.927 503 HB3 ASP 64 HB1 ASP 64 5.405 2.587 9.576 504 H VAL 65 HN VAL 65 4.875 -1.284 11.233 505 HA VAL 65 HA VAL 65 3.862 -1.974 8.568 506 HB VAL 65 HB VAL 65 2.719 -3.847 10.008 507 HG11 VAL 65 HG11 VAL 65 4.829 -5.125 10.004 508 HG12 VAL 65 HG12 VAL 65 5.738 -3.630 9.786 509 HG13 VAL 65 HG13 VAL 65 4.655 -4.196 8.515 510 HG21 VAL 65 HG21 VAL 65 4.904 -3.000 11.926 511 HG22 VAL 65 HG22 VAL 65 3.629 -4.191 12.183 512 HG23 VAL 65 HG23 VAL 65 3.233 -2.474 12.131 513 H VAL 66 HN VAL 66 2.086 -1.077 7.784 514 HA VAL 66 HA VAL 66 -0.271 -0.755 9.551 515 HB VAL 66 HB VAL 66 -0.633 1.567 9.031 516 HG11 VAL 66 HG11 VAL 66 2.308 1.280 9.691 517 HG12 VAL 66 HG12 VAL 66 1.016 1.007 10.856 518 HG13 VAL 66 HG13 VAL 66 1.236 2.604 10.146 519 HG21 VAL 66 HG21 VAL 66 1.735 1.204 7.183 520 HG22 VAL 66 HG22 VAL 66 1.164 2.796 7.681 521 HG23 VAL 66 HG23 VAL 66 0.106 1.725 6.762 522 H ARG 67 HN ARG 67 -2.149 0.130 8.108 523 HA ARG 67 HA ARG 67 -1.973 -1.113 5.395 524 HB2 ARG 67 HB2 ARG 67 -3.326 -2.517 6.870 525 HB3 ARG 67 HB1 ARG 67 -4.319 -1.125 7.304 526 HG2 ARG 67 HG2 ARG 67 -5.138 -0.907 5.053 527 HG3 ARG 67 HG1 ARG 67 -3.986 -2.099 4.455 528 HD2 ARG 67 HD2 ARG 67 -6.171 -3.148 4.675 529 HD3 ARG 67 HD1 ARG 67 -5.092 -3.819 5.898 530 HE ARG 67 HE ARG 67 -6.484 -1.588 7.011 531 HH11 ARG 67 HH21 ARG 67 -6.973 -4.815 5.891 532 HH12 ARG 67 HH22 ARG 67 -8.286 -5.129 6.975 533 HH21 ARG 67 HH11 ARG 67 -8.187 -1.983 8.423 534 HH22 ARG 67 HH12 ARG 67 -8.973 -3.526 8.408 535 H ILE 68 HN ILE 68 -2.578 0.173 3.741 536 HA ILE 68 HA ILE 68 -3.752 2.839 4.425 537 HB ILE 68 HB ILE 68 -2.222 1.963 1.961 538 HG12 ILE 68 HG12 ILE 68 -1.379 3.845 4.185 539 HG13 ILE 68 HG11 ILE 68 -0.924 2.143 4.142 540 HG21 ILE 68 HG21 ILE 68 -3.767 3.723 1.401 541 HG22 ILE 68 HG22 ILE 68 -2.181 4.473 1.586 542 HG23 ILE 68 HG23 ILE 68 -3.378 4.608 2.874 543 HD11 ILE 68 HD11 ILE 68 -0.344 4.111 1.911 544 HD12 ILE 68 HD12 ILE 68 0.231 2.447 2.028 545 HD13 ILE 68 HD13 ILE 68 0.815 3.663 3.162 546 H ASP 69 HN ASP 69 -5.800 3.177 3.843 547 HA ASP 69 HA ASP 69 -7.052 1.397 1.782 548 HB2 ASP 69 HB2 ASP 69 -8.193 2.859 4.165 549 HB3 ASP 69 HB1 ASP 69 -9.210 2.161 2.905 550 H ASN 70 HN ASN 70 -8.449 2.367 0.257 551 HA ASN 70 HA ASN 70 -9.039 3.974 -1.313 552 HB2 ASN 70 HB2 ASN 70 -8.950 5.638 1.206 553 HB3 ASN 70 HB1 ASN 70 -9.336 6.362 -0.352 554 HD21 ASN 70 HD21 ASN 70 -11.315 6.379 1.614 555 HD22 ASN 70 HD22 ASN 70 -12.535 5.274 1.208 556 H ALA 71 HN ALA 71 -6.279 3.258 -1.048 557 HA ALA 71 HA ALA 71 -4.564 5.568 -1.177 558 HB1 ALA 71 HB1 ALA 71 -2.873 4.067 -1.921 559 HB2 ALA 71 HB2 ALA 71 -4.061 2.943 -2.585 560 HB3 ALA 71 HB3 ALA 71 -3.889 3.113 -0.840 561 H ARG 72 HN ARG 72 -3.852 6.738 -2.976 562 HA ARG 72 HA ARG 72 -5.481 6.397 -5.457 563 HB2 ARG 72 HB2 ARG 72 -5.643 8.575 -4.282 564 HB3 ARG 72 HB1 ARG 72 -3.908 8.804 -4.505 565 HG2 ARG 72 HG2 ARG 72 -4.166 8.748 -6.922 566 HG3 ARG 72 HG1 ARG 72 -5.882 8.374 -6.764 567 HD2 ARG 72 HD2 ARG 72 -5.655 10.744 -7.223 568 HD3 ARG 72 HD1 ARG 72 -6.184 10.551 -5.553 569 HE ARG 72 HE ARG 72 -3.317 10.669 -5.665 570 HH11 ARG 72 HH21 ARG 72 -6.181 12.566 -5.966 571 HH12 ARG 72 HH22 ARG 72 -5.420 14.030 -5.443 572 HH21 ARG 72 HH11 ARG 72 -2.315 12.566 -4.987 573 HH22 ARG 72 HH12 ARG 72 -3.233 14.031 -4.888 574 H VAL 73 HN VAL 73 -4.459 5.431 -7.087 575 HA VAL 73 HA VAL 73 -1.520 5.255 -7.121 576 HB VAL 73 HB VAL 73 -3.498 4.117 -9.102 577 HG11 VAL 73 HG11 VAL 73 -1.208 4.090 -9.894 578 HG12 VAL 73 HG12 VAL 73 -1.645 2.451 -9.408 579 HG13 VAL 73 HG13 VAL 73 -0.640 3.446 -8.353 580 HG21 VAL 73 HG21 VAL 73 -3.408 2.060 -7.744 581 HG22 VAL 73 HG22 VAL 73 -4.042 3.400 -6.790 582 HG23 VAL 73 HG23 VAL 73 -2.374 2.874 -6.570 583 H ALA 74 HN ALA 74 -0.231 6.454 -8.419 584 HA ALA 74 HA ALA 74 -1.301 7.690 -10.872 585 HB1 ALA 74 HB1 ALA 74 -0.348 9.954 -10.098 586 HB2 ALA 74 HB2 ALA 74 -0.390 9.281 -8.469 587 HB3 ALA 74 HB3 ALA 74 -1.885 9.456 -9.387 588 H GLN 75 HN GLN 75 0.443 8.553 -12.206 589 HA GLN 75 HA GLN 75 3.032 7.187 -11.652 590 HB2 GLN 75 HB2 GLN 75 1.856 6.741 -13.810 591 HB3 GLN 75 HB1 GLN 75 2.020 8.449 -14.212 592 HG2 GLN 75 HG2 GLN 75 4.470 8.263 -14.064 593 HG3 GLN 75 HG1 GLN 75 4.320 6.559 -13.638 594 HE21 GLN 75 HE21 GLN 75 4.633 5.216 -15.405 595 HE22 GLN 75 HE22 GLN 75 4.247 5.605 -17.011 596 H PHE 76 HN PHE 76 4.727 8.387 -11.020 597 HA PHE 76 HA PHE 76 4.685 11.349 -11.498 598 HB2 PHE 76 HB2 PHE 76 5.806 9.692 -9.236 599 HB3 PHE 76 HB1 PHE 76 6.260 11.376 -9.490 600 HD1 PHE 76 HD1 PHE 76 4.513 13.165 -9.426 601 HD2 PHE 76 HD2 PHE 76 3.668 9.101 -8.324 602 HE1 PHE 76 HE1 PHE 76 2.436 13.906 -8.293 603 HE2 PHE 76 HE2 PHE 76 1.591 9.842 -7.191 604 HZ PHE 76 HZ PHE 76 0.974 12.244 -7.174 605 H ASN 77 HN ASN 77 6.351 12.184 -12.621 606 HA ASN 77 HA ASN 77 8.388 12.340 -13.764 607 HB2 ASN 77 HB2 ASN 77 9.403 9.898 -12.311 608 HB3 ASN 77 HB1 ASN 77 10.300 11.307 -12.868 609 HD21 ASN 77 HD21 ASN 77 10.150 13.291 -11.578 610 HD22 ASN 77 HD22 ASN 77 9.567 13.250 -9.985 611 H GLY 78 HN GLY 78 7.885 8.854 -13.232 612 HA2 GLY 78 HA2 GLY 78 6.968 8.226 -15.829 613 HA3 GLY 78 HA1 GLY 78 8.730 8.069 -15.844 614 H TYR 79 HN TYR 79 6.850 7.492 -12.949 615 HA TYR 79 HA TYR 79 7.010 4.553 -13.323 616 HB2 TYR 79 HB2 TYR 79 8.141 4.233 -11.153 617 HB3 TYR 79 HB1 TYR 79 9.160 5.123 -12.283 618 HD1 TYR 79 HD2 TYR 79 6.819 5.540 -9.399 619 HD2 TYR 79 HD1 TYR 79 9.903 7.328 -11.800 620 HE1 TYR 79 HE2 TYR 79 6.983 7.421 -7.791 621 HE2 TYR 79 HE1 TYR 79 10.068 9.204 -10.185 622 HH TYR 79 HH TYR 79 8.929 9.123 -7.148 623 H LEU 80 HN LEU 80 5.689 3.389 -11.793 624 HA LEU 80 HA LEU 80 3.333 4.921 -10.965 625 HB2 LEU 80 HB2 LEU 80 3.983 1.979 -10.658 626 HB3 LEU 80 HB1 LEU 80 2.400 2.713 -10.390 627 HG LEU 80 HG LEU 80 3.923 2.745 -13.016 628 HD11 LEU 80 HD11 LEU 80 3.002 0.507 -12.275 629 HD12 LEU 80 HD12 LEU 80 2.335 1.110 -13.793 630 HD13 LEU 80 HD13 LEU 80 1.395 1.234 -12.305 631 HD21 LEU 80 HD21 LEU 80 1.481 3.437 -13.762 632 HD22 LEU 80 HD22 LEU 80 2.574 4.652 -13.110 633 HD23 LEU 80 HD23 LEU 80 1.324 3.952 -12.080 634 H SER 81 HN SER 81 2.585 5.200 -8.870 635 HA SER 81 HA SER 81 4.039 4.054 -6.599 636 HB2 SER 81 HB2 SER 81 5.555 5.821 -6.738 637 HB3 SER 81 HB1 SER 81 4.354 6.927 -7.406 638 HG SER 81 HG SER 81 3.773 7.446 -5.452 639 H LEU 82 HN LEU 82 2.954 4.730 -4.519 640 HA LEU 82 HA LEU 82 0.036 5.141 -5.007 641 HB2 LEU 82 HB2 LEU 82 1.467 4.188 -2.516 642 HB3 LEU 82 HB1 LEU 82 -0.275 4.164 -2.794 643 HG LEU 82 HG LEU 82 1.767 2.647 -4.455 644 HD11 LEU 82 HD11 LEU 82 0.761 0.643 -3.338 645 HD12 LEU 82 HD12 LEU 82 -0.142 1.729 -2.282 646 HD13 LEU 82 HD13 LEU 82 1.621 1.697 -2.213 647 HD21 LEU 82 HD21 LEU 82 -0.110 3.027 -5.851 648 HD22 LEU 82 HD22 LEU 82 -1.247 2.886 -4.511 649 HD23 LEU 82 HD23 LEU 82 -0.445 1.450 -5.143 650 H SER 83 HN SER 83 -0.928 6.982 -4.387 651 HA SER 83 HA SER 83 0.622 8.918 -2.713 652 HB2 SER 83 HB2 SER 83 -1.587 9.373 -4.733 653 HB3 SER 83 HB1 SER 83 -0.830 10.641 -3.773 654 HG SER 83 HG SER 83 0.526 8.858 -5.528 655 H VAL 84 HN VAL 84 -0.121 9.185 -0.703 656 HA VAL 84 HA VAL 84 -2.872 8.277 -0.020 657 HB VAL 84 HB VAL 84 -0.628 9.090 1.836 658 HG11 VAL 84 HG11 VAL 84 -3.155 7.474 2.219 659 HG12 VAL 84 HG12 VAL 84 -2.845 9.089 2.853 660 HG13 VAL 84 HG13 VAL 84 -1.913 7.714 3.449 661 HG21 VAL 84 HG21 VAL 84 0.216 7.250 0.558 662 HG22 VAL 84 HG22 VAL 84 -1.339 6.422 0.602 663 HG23 VAL 84 HG23 VAL 84 -0.370 6.559 2.069 664 H GLY 85 HN GLY 85 -4.327 9.867 -0.243 665 HA2 GLY 85 HA2 GLY 85 -3.587 12.690 0.242 666 HA3 GLY 85 HA1 GLY 85 -5.088 12.119 -0.478 667 H ASP 86 HN ASP 86 -5.727 13.885 1.195 668 HA ASP 86 HA ASP 86 -5.799 13.164 3.993 669 HB2 ASP 86 HB2 ASP 86 -7.350 15.153 2.328 670 HB3 ASP 86 HB1 ASP 86 -7.547 15.005 4.075 671 H SER 87 HN SER 87 -7.718 12.247 1.258 672 HA SER 87 HA SER 87 -10.068 11.515 2.874 673 HB2 SER 87 HB2 SER 87 -9.566 10.569 0.056 674 HB3 SER 87 HB1 SER 87 -11.100 10.943 0.836 675 HG SER 87 HG SER 87 -10.691 13.076 0.629 676 H SER 88 HN SER 88 -7.044 10.190 2.235 677 HA SER 88 HA SER 88 -7.842 7.392 2.157 678 HB2 SER 88 HB2 SER 88 -5.757 8.137 1.098 679 HB3 SER 88 HB1 SER 88 -5.141 8.648 2.668 680 HG SER 88 HG SER 88 -6.021 6.144 2.867 681 H ARG 89 HN ARG 89 -7.118 5.827 3.826 682 HA ARG 89 HA ARG 89 -7.087 7.022 6.586 683 HB2 ARG 89 HB2 ARG 89 -9.338 6.107 6.023 684 HB3 ARG 89 HB1 ARG 89 -8.592 4.536 5.730 685 HG2 ARG 89 HG2 ARG 89 -7.738 4.537 8.073 686 HG3 ARG 89 HG1 ARG 89 -8.573 6.066 8.351 687 HD2 ARG 89 HD2 ARG 89 -9.938 3.507 7.470 688 HD3 ARG 89 HD1 ARG 89 -9.871 4.080 9.136 689 HE ARG 89 HE ARG 89 -11.517 5.218 6.985 690 HH11 ARG 89 HH21 ARG 89 -10.070 5.588 10.099 691 HH12 ARG 89 HH22 ARG 89 -11.189 6.806 10.614 692 HH21 ARG 89 HH11 ARG 89 -12.974 6.795 7.646 693 HH22 ARG 89 HH12 ARG 89 -12.832 7.489 9.226 694 H ILE 90 HN ILE 90 -5.586 6.139 7.929 695 HA ILE 90 HA ILE 90 -4.036 3.774 6.928 696 HB ILE 90 HB ILE 90 -3.131 6.093 8.656 697 HG12 ILE 90 HG12 ILE 90 -2.207 5.238 5.896 698 HG13 ILE 90 HG11 ILE 90 -3.431 6.480 6.162 699 HG21 ILE 90 HG21 ILE 90 -0.861 4.925 8.244 700 HG22 ILE 90 HG22 ILE 90 -1.813 3.509 7.796 701 HG23 ILE 90 HG23 ILE 90 -1.944 4.182 9.420 702 HD11 ILE 90 HD11 ILE 90 -0.615 6.551 7.285 703 HD12 ILE 90 HD12 ILE 90 -1.839 7.809 7.467 704 HD13 ILE 90 HD13 ILE 90 -1.165 7.457 5.875 705 H GLU 91 HN GLU 91 -4.039 2.025 8.225 706 HA GLU 91 HA GLU 91 -4.995 2.334 11.050 707 HB2 GLU 91 HB2 GLU 91 -6.642 1.179 9.603 708 HB3 GLU 91 HB1 GLU 91 -5.418 -0.026 9.198 709 HG2 GLU 91 HG2 GLU 91 -5.225 -0.655 11.563 710 HG3 GLU 91 HG1 GLU 91 -6.395 0.588 12.001 711 H SER 92 HN SER 92 -3.665 1.562 12.568 712 HA SER 92 HA SER 92 -1.030 0.615 11.852 713 HB2 SER 92 HB2 SER 92 -2.494 1.041 14.444 714 HB3 SER 92 HB1 SER 92 -0.894 0.302 14.420 715 HG SER 92 HG SER 92 -0.055 2.142 13.613 716 H VAL 93 HN VAL 93 -0.124 -1.438 12.216 717 HA VAL 93 HA VAL 93 -2.094 -3.644 12.745 718 HB VAL 93 HB VAL 93 0.252 -3.543 10.838 719 HG11 VAL 93 HG11 VAL 93 -1.374 -5.863 11.898 720 HG12 VAL 93 HG12 VAL 93 0.380 -5.703 11.827 721 HG13 VAL 93 HG13 VAL 93 -0.543 -5.946 10.344 722 HG21 VAL 93 HG21 VAL 93 -2.651 -4.251 10.340 723 HG22 VAL 93 HG22 VAL 93 -1.409 -3.890 9.141 724 HG23 VAL 93 HG23 VAL 93 -2.032 -2.608 10.179 725 H ASN 94 HN ASN 94 -1.555 -4.972 14.381 726 HA ASN 94 HA ASN 94 0.960 -4.468 15.836 727 HB2 ASN 94 HB2 ASN 94 -0.051 -5.914 17.574 728 HB3 ASN 94 HB1 ASN 94 -1.120 -4.591 17.114 729 HD21 ASN 94 HD21 ASN 94 -2.743 -6.269 18.107 730 HD22 ASN 94 HD22 ASN 94 -3.422 -7.384 17.023 731 H VAL 95 HN VAL 95 2.518 -6.026 16.216 732 HA VAL 95 HA VAL 95 2.744 -8.143 14.199 733 HB VAL 95 HB VAL 95 4.560 -7.373 16.494 734 HG11 VAL 95 HG11 VAL 95 5.106 -9.596 15.835 735 HG12 VAL 95 HG12 VAL 95 6.264 -8.562 15.001 736 HG13 VAL 95 HG13 VAL 95 4.884 -9.223 14.125 737 HG21 VAL 95 HG21 VAL 95 5.901 -6.340 14.597 738 HG22 VAL 95 HG22 VAL 95 4.393 -5.513 14.987 739 HG23 VAL 95 HG23 VAL 95 4.480 -6.569 13.577 740 H ASN 96 HN ASN 96 3.527 -8.352 17.660 741 HA ASN 96 HA ASN 96 1.547 -10.492 18.065 742 HB2 ASN 96 HB2 ASN 96 4.524 -11.013 18.065 743 HB3 ASN 96 HB1 ASN 96 3.373 -12.072 18.880 744 HD21 ASN 96 HD21 ASN 96 1.219 -11.933 16.979 745 HD22 ASN 96 HD22 ASN 96 1.736 -12.667 15.539 746 H ILE 97 HN ILE 97 0.665 -9.604 19.874 747 HA ILE 97 HA ILE 97 0.536 -8.570 21.988 748 HB ILE 97 HB ILE 97 2.750 -10.575 22.527 749 HG12 ILE 97 HG12 ILE 97 -0.253 -10.936 22.753 750 HG13 ILE 97 HG11 ILE 97 0.681 -11.469 21.356 751 HG21 ILE 97 HG21 ILE 97 2.433 -9.048 24.394 752 HG22 ILE 97 HG22 ILE 97 1.693 -10.595 24.806 753 HG23 ILE 97 HG23 ILE 97 0.682 -9.241 24.301 754 HD11 ILE 97 HD11 ILE 97 1.972 -12.993 22.700 755 HD12 ILE 97 HD12 ILE 97 0.276 -13.259 23.103 756 HD13 ILE 97 HD13 ILE 97 1.304 -12.330 24.192 757 HA PRO 98 HA PRO 98 4.181 -5.779 21.117 758 HB2 PRO 98 HB2 PRO 98 2.097 -3.751 21.789 759 HB3 PRO 98 HB1 PRO 98 3.230 -3.797 20.421 760 HG2 PRO 98 HG2 PRO 98 0.632 -4.331 20.094 761 HG3 PRO 98 HG1 PRO 98 1.880 -5.193 19.177 762 HD2 PRO 98 HD2 PRO 98 0.290 -6.144 21.541 763 HD3 PRO 98 HD1 PRO 98 0.822 -7.046 20.107 764 H LEU 99 HN LEU 99 5.489 -4.787 22.638 765 HA LEU 99 HA LEU 99 5.110 -5.424 25.396 766 HB2 LEU 99 HB2 LEU 99 7.271 -4.762 24.000 767 HB3 LEU 99 HB1 LEU 99 6.869 -3.138 24.550 768 HG LEU 99 HG LEU 99 7.264 -5.546 26.345 769 HD11 LEU 99 HD11 LEU 99 9.384 -4.863 25.398 770 HD12 LEU 99 HD12 LEU 99 9.317 -4.305 27.068 771 HD13 LEU 99 HD13 LEU 99 9.046 -3.167 25.748 772 HD21 LEU 99 HD21 LEU 99 5.834 -4.179 27.574 773 HD22 LEU 99 HD22 LEU 99 6.435 -2.696 26.832 774 HD23 LEU 99 HD23 LEU 99 7.401 -3.528 28.058 775 H GLU 100 HN GLU 100 4.661 -2.407 23.575 776 HA GLU 100 HA GLU 100 4.001 -0.727 25.754 777 HB2 GLU 100 HB2 GLU 100 2.981 -0.667 22.902 778 HB3 GLU 100 HB1 GLU 100 2.785 0.649 24.059 779 HG2 GLU 100 HG2 GLU 100 5.454 -0.501 23.189 780 HG3 GLU 100 HG1 GLU 100 4.749 0.988 22.560 781 H HIS 101 HN HIS 101 2.176 -0.470 26.967 782 HA HIS 101 HA HIS 101 -0.117 -2.306 26.399 783 HB2 HIS 101 HB2 HIS 101 0.829 -1.019 28.966 784 HB3 HIS 101 HB1 HIS 101 -0.654 -1.958 28.825 785 HD1 HIS 101 HD1 HIS 101 -0.340 -4.517 28.048 786 HD2 HIS 101 HD2 HIS 101 3.146 -2.569 29.250 787 HE1 HIS 101 HE1 HIS 101 1.377 -6.326 28.485 788 H HIS 102 HN HIS 102 -2.093 -1.481 26.042 789 HA HIS 102 HA HIS 102 -2.512 1.215 25.295 790 HB2 HIS 102 HB2 HIS 102 -4.507 -0.844 26.272 791 HB3 HIS 102 HB1 HIS 102 -4.924 0.631 25.399 792 HD1 HIS 102 HD1 HIS 102 -3.680 0.839 22.955 793 HD2 HIS 102 HD2 HIS 102 -3.961 -2.984 24.595 794 HE1 HIS 102 HE1 HIS 102 -3.280 -0.785 21.055 795 H HIS 103 HN HIS 103 -4.266 -0.236 28.021 796 HA HIS 103 HA HIS 103 -5.000 0.740 30.024 797 HB2 HIS 103 HB2 HIS 103 -2.180 1.851 29.830 798 HB3 HIS 103 HB1 HIS 103 -3.204 2.036 31.256 799 HD1 HIS 103 HD1 HIS 103 -4.524 -0.768 31.293 800 HD2 HIS 103 HD2 HIS 103 -0.439 -0.131 30.750 801 HE1 HIS 103 HE1 HIS 103 -3.367 -2.918 31.970 802 H HIS 104 HN HIS 104 -5.255 2.204 27.370 803 HA HIS 104 HA HIS 104 -5.892 4.339 26.582 804 HB2 HIS 104 HB2 HIS 104 -7.232 4.099 29.285 805 HB3 HIS 104 HB1 HIS 104 -7.555 5.439 28.186 806 HD1 HIS 104 HD1 HIS 104 -7.853 1.671 28.397 807 HD2 HIS 104 HD2 HIS 104 -9.232 4.814 26.032 808 HE1 HIS 104 HE1 HIS 104 -9.605 0.691 26.853 809 H HIS 105 HN HIS 105 -6.327 5.945 29.499 810 HA HIS 105 HA HIS 105 -3.613 7.208 29.378 811 HB2 HIS 105 HB2 HIS 105 -6.321 8.525 29.716 812 HB3 HIS 105 HB1 HIS 105 -4.784 9.359 29.954 813 HD1 HIS 105 HD1 HIS 105 -3.098 9.124 27.762 814 HD2 HIS 105 HD2 HIS 105 -7.179 8.616 27.079 815 HE1 HIS 105 HE1 HIS 105 -3.450 9.438 25.276 816 H HIS 106 HN HIS 106 -5.642 5.350 31.156 817 HA HIS 106 HA HIS 106 -5.194 6.652 33.768 818 HB2 HIS 106 HB2 HIS 106 -6.446 3.987 33.054 819 HB3 HIS 106 HB1 HIS 106 -6.438 4.703 34.665 820 HD1 HIS 106 HD1 HIS 106 -7.651 7.143 34.815 821 HD2 HIS 106 HD2 HIS 106 -8.564 4.834 31.465 822 HE1 HIS 106 HE1 HIS 106 -9.763 8.125 33.823 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 -8.911 2.017 -2.913 2 H2 SER 1 HT2 SER 1 -9.085 0.616 -3.859 3 H3 SER 1 HT3 SER 1 -8.085 0.599 -2.486 4 HA SER 1 HA SER 1 -10.123 1.112 -1.135 5 HB2 SER 1 HB2 SER 1 -11.326 0.468 -3.830 6 HB3 SER 1 HB1 SER 1 -12.235 0.295 -2.332 7 HG SER 1 HG SER 1 -12.266 2.415 -2.091 8 H ASP 2 HN ASP 2 -10.550 -1.392 -3.605 9 HA ASP 2 HA ASP 2 -10.826 -3.502 -1.688 10 HB2 ASP 2 HB2 ASP 2 -11.734 -3.539 -4.022 11 HB3 ASP 2 HB1 ASP 2 -10.087 -3.751 -4.615 12 H LEU 3 HN LEU 3 -9.377 -5.093 -1.045 13 HA LEU 3 HA LEU 3 -6.607 -4.326 -0.880 14 HB2 LEU 3 HB2 LEU 3 -7.686 -5.581 0.907 15 HB3 LEU 3 HB1 LEU 3 -8.035 -6.908 -0.195 16 HG LEU 3 HG LEU 3 -5.649 -7.354 -0.475 17 HD11 LEU 3 HD11 LEU 3 -5.388 -4.811 1.128 18 HD12 LEU 3 HD12 LEU 3 -4.549 -5.283 -0.352 19 HD13 LEU 3 HD13 LEU 3 -4.108 -6.024 1.183 20 HD21 LEU 3 HD21 LEU 3 -6.969 -8.236 1.526 21 HD22 LEU 3 HD22 LEU 3 -6.187 -6.974 2.479 22 HD23 LEU 3 HD23 LEU 3 -5.215 -8.229 1.710 23 H VAL 4 HN VAL 4 -5.095 -4.621 -2.392 24 HA VAL 4 HA VAL 4 -5.246 -7.035 -4.158 25 HB VAL 4 HB VAL 4 -4.557 -5.620 -6.090 26 HG11 VAL 4 HG11 VAL 4 -7.131 -4.587 -4.885 27 HG12 VAL 4 HG12 VAL 4 -6.976 -6.224 -5.520 28 HG13 VAL 4 HG13 VAL 4 -6.755 -4.840 -6.589 29 HG21 VAL 4 HG21 VAL 4 -3.569 -3.715 -5.069 30 HG22 VAL 4 HG22 VAL 4 -4.976 -3.435 -4.043 31 HG23 VAL 4 HG23 VAL 4 -5.070 -3.113 -5.773 32 H LYS 5 HN LYS 5 -3.157 -7.454 -5.238 33 HA LYS 5 HA LYS 5 -0.973 -7.196 -3.345 34 HB2 LYS 5 HB2 LYS 5 -1.125 -8.347 -6.138 35 HB3 LYS 5 HB1 LYS 5 0.312 -8.435 -5.119 36 HG2 LYS 5 HG2 LYS 5 -1.054 -9.576 -3.364 37 HG3 LYS 5 HG1 LYS 5 -2.420 -9.582 -4.473 38 HD2 LYS 5 HD2 LYS 5 0.254 -10.800 -5.194 39 HD3 LYS 5 HD1 LYS 5 -1.018 -11.722 -4.398 40 HE2 LYS 5 HE2 LYS 5 -2.557 -10.993 -6.310 41 HE3 LYS 5 HE1 LYS 5 -1.105 -10.426 -7.131 42 HZ1 LYS 5 HZ1 LYS 5 -2.095 -12.982 -7.134 43 HZ2 LYS 5 HZ2 LYS 5 -0.749 -13.048 -6.099 44 HZ3 LYS 5 HZ3 LYS 5 -0.572 -12.484 -7.692 45 H ILE 6 HN ILE 6 1.109 -6.244 -3.852 46 HA ILE 6 HA ILE 6 0.975 -3.583 -4.874 47 HB ILE 6 HB ILE 6 3.336 -5.418 -4.374 48 HG12 ILE 6 HG12 ILE 6 2.279 -3.076 -2.758 49 HG13 ILE 6 HG11 ILE 6 1.861 -4.757 -2.427 50 HG21 ILE 6 HG21 ILE 6 4.159 -3.778 -5.875 51 HG22 ILE 6 HG22 ILE 6 4.576 -3.155 -4.281 52 HG23 ILE 6 HG23 ILE 6 3.187 -2.500 -5.148 53 HD11 ILE 6 HD11 ILE 6 4.381 -5.207 -2.298 54 HD12 ILE 6 HD12 ILE 6 3.693 -4.261 -0.980 55 HD13 ILE 6 HD13 ILE 6 4.588 -3.457 -2.269 56 H ARG 7 HN ARG 7 2.230 -6.589 -6.301 57 HA ARG 7 HA ARG 7 3.232 -5.448 -8.710 58 HB2 ARG 7 HB2 ARG 7 2.229 -8.215 -8.025 59 HB3 ARG 7 HB1 ARG 7 2.923 -7.820 -9.597 60 HG2 ARG 7 HG2 ARG 7 5.002 -7.075 -8.505 61 HG3 ARG 7 HG1 ARG 7 4.308 -7.439 -6.924 62 HD2 ARG 7 HD2 ARG 7 4.106 -9.811 -7.538 63 HD3 ARG 7 HD1 ARG 7 4.753 -9.464 -9.141 64 HE ARG 7 HE ARG 7 6.539 -8.601 -7.014 65 HH11 ARG 7 HH21 ARG 7 5.451 -11.244 -8.956 66 HH12 ARG 7 HH22 ARG 7 6.928 -12.135 -8.792 67 HH21 ARG 7 HH11 ARG 7 8.460 -9.755 -6.796 68 HH22 ARG 7 HH12 ARG 7 8.628 -11.294 -7.571 69 H ASP 8 HN ASP 8 -0.018 -6.227 -7.715 70 HA ASP 8 HA ASP 8 -1.096 -6.180 -10.446 71 HB2 ASP 8 HB2 ASP 8 -2.081 -7.530 -8.552 72 HB3 ASP 8 HB1 ASP 8 -2.591 -6.012 -7.814 73 H VAL 9 HN VAL 9 0.085 -3.819 -8.464 74 HA VAL 9 HA VAL 9 -1.932 -1.790 -8.587 75 HB VAL 9 HB VAL 9 1.083 -1.625 -8.331 76 HG11 VAL 9 HG11 VAL 9 0.525 0.700 -7.413 77 HG12 VAL 9 HG12 VAL 9 -1.051 0.518 -8.180 78 HG13 VAL 9 HG13 VAL 9 0.414 0.514 -9.162 79 HG21 VAL 9 HG21 VAL 9 -1.051 -1.130 -6.245 80 HG22 VAL 9 HG22 VAL 9 0.668 -1.440 -5.995 81 HG23 VAL 9 HG23 VAL 9 -0.393 -2.739 -6.539 82 H SER 10 HN SER 10 -2.533 -0.470 -10.204 83 HA SER 10 HA SER 10 -0.747 0.212 -12.404 84 HB2 SER 10 HB2 SER 10 -2.120 -0.743 -14.184 85 HB3 SER 10 HB1 SER 10 -1.591 -2.026 -13.103 86 HG SER 10 HG SER 10 -3.987 -1.661 -13.791 87 H LEU 11 HN LEU 11 -1.972 1.622 -14.011 88 HA LEU 11 HA LEU 11 -3.313 3.734 -12.635 89 HB2 LEU 11 HB2 LEU 11 -3.156 3.048 -15.582 90 HB3 LEU 11 HB1 LEU 11 -3.802 4.565 -14.960 91 HG LEU 11 HG LEU 11 -1.007 3.537 -14.380 92 HD11 LEU 11 HD11 LEU 11 -1.397 4.085 -16.797 93 HD12 LEU 11 HD12 LEU 11 -0.210 5.135 -16.021 94 HD13 LEU 11 HD13 LEU 11 -1.849 5.719 -16.309 95 HD21 LEU 11 HD21 LEU 11 -2.552 6.016 -13.643 96 HD22 LEU 11 HD22 LEU 11 -0.812 6.142 -13.887 97 HD23 LEU 11 HD23 LEU 11 -1.448 5.056 -12.662 98 H SER 12 HN SER 12 -4.519 0.943 -14.424 99 HA SER 12 HA SER 12 -7.232 1.755 -14.693 100 HB2 SER 12 HB2 SER 12 -6.336 -1.075 -14.117 101 HB3 SER 12 HB1 SER 12 -7.729 -0.551 -15.060 102 HG SER 12 HG SER 12 -6.365 0.168 -16.647 103 H THR 13 HN THR 13 -5.394 0.887 -11.914 104 HA THR 13 HA THR 13 -7.875 0.576 -10.265 105 HB THR 13 HB THR 13 -6.613 -0.694 -8.735 106 HG1 THR 13 HG1 THR 13 -4.741 0.265 -8.431 107 HG21 THR 13 HG21 THR 13 -5.689 -2.477 -10.106 108 HG22 THR 13 HG22 THR 13 -5.505 -1.375 -11.471 109 HG23 THR 13 HG23 THR 13 -7.116 -1.820 -10.908 110 HA PRO 14 HA PRO 14 -6.037 4.760 -9.299 111 HB2 PRO 14 HB2 PRO 14 -8.445 6.059 -8.998 112 HB3 PRO 14 HB1 PRO 14 -7.628 5.866 -10.561 113 HG2 PRO 14 HG2 PRO 14 -9.889 4.300 -9.403 114 HG3 PRO 14 HG1 PRO 14 -9.642 4.860 -11.068 115 HD2 PRO 14 HD2 PRO 14 -9.161 2.301 -10.294 116 HD3 PRO 14 HD1 PRO 14 -8.247 3.079 -11.603 117 H TYR 15 HN TYR 15 -8.406 2.742 -7.739 118 HA TYR 15 HA TYR 15 -7.640 3.912 -5.083 119 HB2 TYR 15 HB2 TYR 15 -10.338 2.814 -5.925 120 HB3 TYR 15 HB1 TYR 15 -9.919 3.368 -4.306 121 HD1 TYR 15 HD2 TYR 15 -8.750 5.790 -4.269 122 HD2 TYR 15 HD1 TYR 15 -11.407 4.365 -7.332 123 HE1 TYR 15 HE2 TYR 15 -9.256 8.128 -4.917 124 HE2 TYR 15 HE1 TYR 15 -11.916 6.707 -7.975 125 HH TYR 15 HH TYR 15 -11.112 8.885 -7.778 126 H VAL 16 HN VAL 16 -6.310 2.430 -4.198 127 HA VAL 16 HA VAL 16 -7.264 -0.404 -4.089 128 HB VAL 16 HB VAL 16 -4.905 -1.156 -4.429 129 HG11 VAL 16 HG11 VAL 16 -6.619 -1.110 -6.257 130 HG12 VAL 16 HG12 VAL 16 -4.963 -0.953 -6.841 131 HG13 VAL 16 HG13 VAL 16 -6.000 0.470 -6.736 132 HG21 VAL 16 HG21 VAL 16 -3.666 0.827 -3.881 133 HG22 VAL 16 HG22 VAL 16 -4.532 1.774 -5.091 134 HG23 VAL 16 HG23 VAL 16 -3.402 0.521 -5.597 135 H SER 17 HN SER 17 -6.190 -1.641 -2.375 136 HA SER 17 HA SER 17 -5.188 0.080 -0.135 137 HB2 SER 17 HB2 SER 17 -7.468 -0.576 0.388 138 HB3 SER 17 HB1 SER 17 -7.115 -2.252 -0.005 139 HG SER 17 HG SER 17 -5.815 -2.394 1.762 140 H VAL 18 HN VAL 18 -3.358 -0.641 0.822 141 HA VAL 18 HA VAL 18 -2.486 -3.462 0.339 142 HB VAL 18 HB VAL 18 -0.190 -2.644 -0.191 143 HG11 VAL 18 HG11 VAL 18 -2.306 -1.555 -2.068 144 HG12 VAL 18 HG12 VAL 18 -1.872 -3.261 -1.950 145 HG13 VAL 18 HG13 VAL 18 -0.679 -2.083 -2.498 146 HG21 VAL 18 HG21 VAL 18 -0.268 -0.433 0.800 147 HG22 VAL 18 HG22 VAL 18 -1.614 0.033 -0.239 148 HG23 VAL 18 HG23 VAL 18 -0.017 -0.241 -0.934 149 H ILE 19 HN ILE 19 -0.698 -4.101 1.778 150 HA ILE 19 HA ILE 19 -0.410 -2.418 4.219 151 HB ILE 19 HB ILE 19 -2.224 -4.079 4.629 152 HG12 ILE 19 HG12 ILE 19 0.298 -4.799 6.140 153 HG13 ILE 19 HG11 ILE 19 -0.587 -3.296 6.409 154 HG21 ILE 19 HG21 ILE 19 -1.811 -6.420 4.547 155 HG22 ILE 19 HG22 ILE 19 -0.074 -6.181 4.349 156 HG23 ILE 19 HG23 ILE 19 -1.175 -5.780 3.030 157 HD11 ILE 19 HD11 ILE 19 -1.332 -4.957 8.032 158 HD12 ILE 19 HD12 ILE 19 -1.672 -6.108 6.740 159 HD13 ILE 19 HD13 ILE 19 -2.637 -4.640 6.890 160 H GLY 20 HN GLY 20 1.605 -2.516 5.135 161 HA2 GLY 20 HA2 GLY 20 3.442 -4.672 4.839 162 HA3 GLY 20 HA1 GLY 20 3.773 -3.496 3.569 163 H LYS 21 HN LYS 21 5.864 -3.282 4.723 164 HA LYS 21 HA LYS 21 5.707 -1.633 7.216 165 HB2 LYS 21 HB2 LYS 21 7.932 -3.262 5.966 166 HB3 LYS 21 HB1 LYS 21 8.185 -2.160 7.320 167 HG2 LYS 21 HG2 LYS 21 6.596 -3.392 8.683 168 HG3 LYS 21 HG1 LYS 21 6.177 -4.430 7.323 169 HD2 LYS 21 HD2 LYS 21 7.715 -5.718 8.587 170 HD3 LYS 21 HD1 LYS 21 8.675 -5.065 7.261 171 HE2 LYS 21 HE2 LYS 21 9.624 -3.366 8.672 172 HE3 LYS 21 HE1 LYS 21 8.485 -3.717 9.970 173 HZ1 LYS 21 HZ1 LYS 21 9.588 -6.106 9.616 174 HZ2 LYS 21 HZ2 LYS 21 10.177 -4.957 10.720 175 HZ3 LYS 21 HZ3 LYS 21 10.900 -5.118 9.191 176 H ILE 22 HN ILE 22 6.661 0.389 7.275 177 HA ILE 22 HA ILE 22 7.201 1.629 4.626 178 HB ILE 22 HB ILE 22 7.064 2.993 7.321 179 HG12 ILE 22 HG12 ILE 22 4.997 1.769 7.109 180 HG13 ILE 22 HG11 ILE 22 4.653 3.442 6.674 181 HG21 ILE 22 HG21 ILE 22 6.741 4.975 6.093 182 HG22 ILE 22 HG22 ILE 22 6.283 4.110 4.630 183 HG23 ILE 22 HG23 ILE 22 7.965 4.123 5.155 184 HD11 ILE 22 HD11 ILE 22 4.948 1.053 4.854 185 HD12 ILE 22 HD12 ILE 22 5.128 2.695 4.236 186 HD13 ILE 22 HD13 ILE 22 3.605 2.188 4.963 187 H THR 23 HN THR 23 9.212 2.173 3.959 188 HA THR 23 HA THR 23 11.402 2.408 5.978 189 HB THR 23 HB THR 23 12.877 1.031 4.631 190 HG1 THR 23 HG1 THR 23 12.420 0.682 2.629 191 HG21 THR 23 HG21 THR 23 10.206 -0.349 5.015 192 HG22 THR 23 HG22 THR 23 11.416 -0.108 6.276 193 HG23 THR 23 HG23 THR 23 11.776 -1.143 4.894 194 H GLY 24 HN GLY 24 13.236 3.601 5.210 195 HA2 GLY 24 HA2 GLY 24 14.294 5.340 4.067 196 HA3 GLY 24 HA1 GLY 24 13.413 4.824 2.632 197 H ILE 25 HN ILE 25 12.774 6.506 5.732 198 HA ILE 25 HA ILE 25 10.534 7.974 4.551 199 HB ILE 25 HB ILE 25 11.926 8.525 7.181 200 HG12 ILE 25 HG12 ILE 25 11.382 6.175 7.177 201 HG13 ILE 25 HG11 ILE 25 10.154 6.998 8.136 202 HG21 ILE 25 HG21 ILE 25 9.599 9.268 7.796 203 HG22 ILE 25 HG22 ILE 25 9.138 9.042 6.109 204 HG23 ILE 25 HG23 ILE 25 10.353 10.248 6.538 205 HD11 ILE 25 HD11 ILE 25 9.920 5.877 5.346 206 HD12 ILE 25 HD12 ILE 25 8.797 7.108 5.926 207 HD13 ILE 25 HD13 ILE 25 8.906 5.555 6.749 208 H HIS 26 HN HIS 26 10.659 9.872 3.517 209 HA HIS 26 HA HIS 26 13.030 11.641 3.964 210 HB2 HIS 26 HB2 HIS 26 11.838 10.864 1.283 211 HB3 HIS 26 HB1 HIS 26 13.063 12.111 1.523 212 HD1 HIS 26 HD1 HIS 26 15.393 11.265 2.560 213 HD2 HIS 26 HD2 HIS 26 12.854 8.269 1.165 214 HE1 HIS 26 HE1 HIS 26 16.811 9.180 2.322 215 H LYS 27 HN LYS 27 12.522 13.809 3.991 216 HA LYS 27 HA LYS 27 9.614 14.485 3.808 217 HB2 LYS 27 HB2 LYS 27 10.768 14.925 5.965 218 HB3 LYS 27 HB1 LYS 27 11.871 16.017 5.126 219 HG2 LYS 27 HG2 LYS 27 9.999 17.434 4.440 220 HG3 LYS 27 HG1 LYS 27 8.854 16.319 5.186 221 HD2 LYS 27 HD2 LYS 27 9.889 16.742 7.390 222 HD3 LYS 27 HD1 LYS 27 11.017 17.871 6.639 223 HE2 LYS 27 HE2 LYS 27 9.300 19.270 7.462 224 HE3 LYS 27 HE1 LYS 27 8.897 19.083 5.755 225 HZ1 LYS 27 HZ1 LYS 27 7.333 17.365 6.313 226 HZ2 LYS 27 HZ2 LYS 27 6.982 18.749 7.235 227 HZ3 LYS 27 HZ3 LYS 27 7.774 17.426 7.950 228 H LYS 28 HN LYS 28 8.913 15.915 2.314 229 HA LYS 28 HA LYS 28 10.881 17.612 0.857 230 HB2 LYS 28 HB2 LYS 28 8.911 15.685 -0.395 231 HB3 LYS 28 HB1 LYS 28 9.687 16.994 -1.287 232 HG2 LYS 28 HG2 LYS 28 11.903 16.081 -0.700 233 HG3 LYS 28 HG1 LYS 28 11.125 14.765 0.182 234 HD2 LYS 28 HD2 LYS 28 10.017 14.023 -1.890 235 HD3 LYS 28 HD1 LYS 28 10.784 15.341 -2.775 236 HE2 LYS 28 HE2 LYS 28 13.003 14.430 -2.240 237 HE3 LYS 28 HE1 LYS 28 12.256 13.123 -1.320 238 HZ1 LYS 28 HZ1 LYS 28 11.032 12.574 -3.437 239 HZ2 LYS 28 HZ2 LYS 28 12.700 12.251 -3.437 240 HZ3 LYS 28 HZ3 LYS 28 12.097 13.626 -4.234 241 H GLU 29 HN GLU 29 9.781 19.328 -0.396 242 HA GLU 29 HA GLU 29 7.082 20.033 0.718 243 HB2 GLU 29 HB2 GLU 29 9.503 21.800 0.284 244 HB3 GLU 29 HB1 GLU 29 7.880 22.422 0.603 245 HG2 GLU 29 HG2 GLU 29 7.798 21.203 2.723 246 HG3 GLU 29 HG1 GLU 29 9.381 20.495 2.399 247 H TYR 30 HN TYR 30 5.613 20.828 -0.754 248 HA TYR 30 HA TYR 30 6.564 21.454 -3.511 249 HB2 TYR 30 HB2 TYR 30 4.937 20.003 -4.530 250 HB3 TYR 30 HB1 TYR 30 5.855 19.036 -3.382 251 HD1 TYR 30 HD2 TYR 30 4.842 18.989 -0.903 252 HD2 TYR 30 HD1 TYR 30 2.604 19.869 -4.466 253 HE1 TYR 30 HE2 TYR 30 2.740 18.371 0.259 254 HE2 TYR 30 HE1 TYR 30 0.507 19.249 -3.302 255 HH TYR 30 HH TYR 30 -0.102 17.723 -1.305 256 H GLU 31 HN GLU 31 4.958 22.643 -4.754 257 HA GLU 31 HA GLU 31 3.438 24.488 -3.035 258 HB2 GLU 31 HB2 GLU 31 4.850 25.302 -4.924 259 HB3 GLU 31 HB1 GLU 31 3.781 24.460 -6.046 260 HG2 GLU 31 HG2 GLU 31 1.879 25.802 -5.288 261 HG3 GLU 31 HG1 GLU 31 2.902 26.613 -4.103 262 H SER 32 HN SER 32 1.440 23.830 -2.435 263 HA SER 32 HA SER 32 -0.273 22.389 -4.434 264 HB2 SER 32 HB2 SER 32 -1.131 21.113 -2.715 265 HB3 SER 32 HB1 SER 32 0.441 21.471 -2.006 266 HG SER 32 HG SER 32 -2.086 22.468 -1.398 267 H ASP 33 HN ASP 33 -1.822 23.625 -5.277 268 HA ASP 33 HA ASP 33 -3.385 25.331 -5.566 269 HB2 ASP 33 HB2 ASP 33 -4.427 23.998 -3.691 270 HB3 ASP 33 HB1 ASP 33 -3.719 25.153 -2.561 271 H GLY 34 HN GLY 34 -0.576 26.052 -5.008 272 HA2 GLY 34 HA2 GLY 34 0.480 28.174 -5.031 273 HA3 GLY 34 HA1 GLY 34 -1.036 28.908 -4.512 274 H THR 35 HN THR 35 -0.380 26.264 -2.553 275 HA THR 35 HA THR 35 1.043 27.970 -0.531 276 HB THR 35 HB THR 35 -1.174 25.968 -0.009 277 HG1 THR 35 HG1 THR 35 -1.364 28.375 -0.864 278 HG21 THR 35 HG21 THR 35 -1.004 26.916 2.309 279 HG22 THR 35 HG22 THR 35 0.446 27.781 1.800 280 HG23 THR 35 HG23 THR 35 0.430 26.018 1.813 281 H THR 36 HN THR 36 2.848 27.089 0.233 282 HA THR 36 HA THR 36 3.843 24.583 -0.735 283 HB THR 36 HB THR 36 4.816 26.178 1.648 284 HG1 THR 36 HG1 THR 36 4.823 27.547 -0.050 285 HG21 THR 36 HG21 THR 36 5.777 23.922 1.450 286 HG22 THR 36 HG22 THR 36 6.985 25.150 1.071 287 HG23 THR 36 HG23 THR 36 6.206 24.247 -0.229 288 H LYS 37 HN LYS 37 3.608 22.570 0.060 289 HA LYS 37 HA LYS 37 2.648 22.210 2.871 290 HB2 LYS 37 HB2 LYS 37 1.630 20.788 0.393 291 HB3 LYS 37 HB1 LYS 37 1.189 20.373 2.049 292 HG2 LYS 37 HG2 LYS 37 0.732 23.098 0.798 293 HG3 LYS 37 HG1 LYS 37 -0.499 21.840 0.904 294 HD2 LYS 37 HD2 LYS 37 0.029 21.840 3.453 295 HD3 LYS 37 HD1 LYS 37 0.801 23.395 3.144 296 HE2 LYS 37 HE2 LYS 37 -1.261 24.290 2.218 297 HE3 LYS 37 HE1 LYS 37 -2.058 22.729 2.423 298 HZ1 LYS 37 HZ1 LYS 37 -1.006 23.248 4.872 299 HZ2 LYS 37 HZ2 LYS 37 -2.628 23.479 4.424 300 HZ3 LYS 37 HZ3 LYS 37 -1.533 24.775 4.359 301 H SER 38 HN SER 38 3.501 20.488 3.937 302 HA SER 38 HA SER 38 5.957 19.379 2.845 303 HB2 SER 38 HB2 SER 38 5.834 19.946 5.209 304 HB3 SER 38 HB1 SER 38 4.469 18.856 5.431 305 HG SER 38 HG SER 38 7.150 18.223 4.759 306 H VAL 39 HN VAL 39 6.347 17.233 2.290 307 HA VAL 39 HA VAL 39 4.053 15.335 2.320 308 HB VAL 39 HB VAL 39 4.202 16.545 0.083 309 HG11 VAL 39 HG11 VAL 39 6.010 16.080 -1.393 310 HG12 VAL 39 HG12 VAL 39 6.648 14.817 -0.340 311 HG13 VAL 39 HG13 VAL 39 6.772 16.509 0.138 312 HG21 VAL 39 HG21 VAL 39 3.048 14.450 0.191 313 HG22 VAL 39 HG22 VAL 39 4.559 13.549 0.316 314 HG23 VAL 39 HG23 VAL 39 4.126 14.341 -1.199 315 H TYR 40 HN TYR 40 4.674 13.269 2.744 316 HA TYR 40 HA TYR 40 7.593 12.790 3.175 317 HB2 TYR 40 HB2 TYR 40 5.130 11.398 4.262 318 HB3 TYR 40 HB1 TYR 40 6.788 10.887 4.585 319 HD1 TYR 40 HD1 TYR 40 4.264 13.520 5.156 320 HD2 TYR 40 HD2 TYR 40 8.262 12.198 6.001 321 HE1 TYR 40 HE1 TYR 40 4.439 15.205 6.967 322 HE2 TYR 40 HE2 TYR 40 8.436 13.880 7.813 323 HH TYR 40 HH TYR 40 5.665 15.742 8.864 324 H GLN 41 HN GLN 41 8.634 11.311 1.950 325 HA GLN 41 HA GLN 41 7.018 9.480 0.207 326 HB2 GLN 41 HB2 GLN 41 9.524 11.048 -0.453 327 HB3 GLN 41 HB1 GLN 41 8.893 9.743 -1.460 328 HG2 GLN 41 HG2 GLN 41 6.775 10.947 -1.737 329 HG3 GLN 41 HG1 GLN 41 7.353 12.237 -0.682 330 HE21 GLN 41 HE21 GLN 41 6.743 13.321 -2.993 331 HE22 GLN 41 HE22 GLN 41 8.070 13.527 -4.031 332 H GLY 42 HN GLY 42 7.912 7.403 -0.117 333 HA2 GLY 42 HA2 GLY 42 10.500 6.652 0.882 334 HA3 GLY 42 HA1 GLY 42 9.249 6.231 2.052 335 H TYR 43 HN TYR 43 10.050 4.016 1.536 336 HA TYR 43 HA TYR 43 8.683 2.892 -0.888 337 HB2 TYR 43 HB2 TYR 43 11.274 2.053 0.443 338 HB3 TYR 43 HB1 TYR 43 10.451 1.110 -0.800 339 HD1 TYR 43 HD2 TYR 43 12.155 4.332 -0.091 340 HD2 TYR 43 HD1 TYR 43 10.502 1.757 -3.104 341 HE1 TYR 43 HE2 TYR 43 13.202 5.725 -1.857 342 HE2 TYR 43 HE1 TYR 43 11.547 3.145 -4.869 343 HH TYR 43 HH TYR 43 13.867 5.617 -4.126 344 H ILE 44 HN ILE 44 7.453 1.064 -0.555 345 HA ILE 44 HA ILE 44 7.211 0.095 2.278 346 HB ILE 44 HB ILE 44 5.235 1.408 1.491 347 HG12 ILE 44 HG12 ILE 44 4.633 -1.549 1.772 348 HG13 ILE 44 HG11 ILE 44 5.114 -0.525 3.125 349 HG21 ILE 44 HG21 ILE 44 5.548 0.602 -0.934 350 HG22 ILE 44 HG22 ILE 44 3.895 0.663 -0.326 351 HG23 ILE 44 HG23 ILE 44 4.740 -0.880 -0.424 352 HD11 ILE 44 HD11 ILE 44 3.187 0.968 2.657 353 HD12 ILE 44 HD12 ILE 44 2.671 -0.678 3.024 354 HD13 ILE 44 HD13 ILE 44 2.689 -0.110 1.354 355 H GLU 45 HN GLU 45 7.072 -2.115 2.570 356 HA GLU 45 HA GLU 45 7.326 -3.829 0.111 357 HB2 GLU 45 HB2 GLU 45 9.001 -5.188 1.323 358 HB3 GLU 45 HB1 GLU 45 9.555 -3.530 1.095 359 HG2 GLU 45 HG2 GLU 45 8.791 -2.984 3.400 360 HG3 GLU 45 HG1 GLU 45 8.317 -4.668 3.623 361 H ASP 46 HN ASP 46 6.488 -5.935 0.309 362 HA ASP 46 HA ASP 46 5.167 -6.726 2.829 363 HB2 ASP 46 HB2 ASP 46 3.558 -5.255 1.477 364 HB3 ASP 46 HB1 ASP 46 3.542 -6.549 0.280 365 H ASP 47 HN ASP 47 3.654 -8.821 1.851 366 HA ASP 47 HA ASP 47 5.665 -10.803 1.261 367 HB2 ASP 47 HB2 ASP 47 3.500 -11.156 2.541 368 HB3 ASP 47 HB1 ASP 47 2.664 -11.097 0.989 369 H THR 48 HN THR 48 4.001 -8.616 -0.717 370 HA THR 48 HA THR 48 4.058 -10.378 -3.112 371 HB THR 48 HB THR 48 2.990 -8.406 -4.219 372 HG1 THR 48 HG1 THR 48 3.778 -6.729 -3.042 373 HG21 THR 48 HG21 THR 48 0.898 -8.447 -2.736 374 HG22 THR 48 HG22 THR 48 1.811 -9.509 -1.665 375 HG23 THR 48 HG23 THR 48 1.476 -10.006 -3.324 376 H ALA 49 HN ALA 49 4.998 -6.958 -2.650 377 HA ALA 49 HA ALA 49 7.759 -7.480 -3.435 378 HB1 ALA 49 HB1 ALA 49 6.134 -5.783 -5.339 379 HB2 ALA 49 HB2 ALA 49 6.368 -7.509 -5.607 380 HB3 ALA 49 HB3 ALA 49 7.761 -6.429 -5.563 381 H ARG 50 HN ARG 50 7.740 -4.650 -4.637 382 HA ARG 50 HA ARG 50 7.117 -3.057 -2.216 383 HB2 ARG 50 HB2 ARG 50 9.327 -2.067 -2.110 384 HB3 ARG 50 HB1 ARG 50 9.493 -3.818 -2.005 385 HG2 ARG 50 HG2 ARG 50 10.003 -3.888 -4.444 386 HG3 ARG 50 HG1 ARG 50 9.920 -2.127 -4.493 387 HD2 ARG 50 HD2 ARG 50 11.742 -1.990 -2.831 388 HD3 ARG 50 HD1 ARG 50 11.830 -3.748 -2.788 389 HE ARG 50 HE ARG 50 12.869 -3.730 -4.935 390 HH11 ARG 50 HH21 ARG 50 11.780 -0.602 -3.930 391 HH12 ARG 50 HH22 ARG 50 12.634 0.235 -5.182 392 HH21 ARG 50 HH11 ARG 50 13.983 -2.640 -6.564 393 HH22 ARG 50 HH12 ARG 50 13.875 -0.915 -6.670 394 H ILE 51 HN ILE 51 6.898 -0.810 -2.626 395 HA ILE 51 HA ILE 51 7.196 0.133 -5.413 396 HB ILE 51 HB ILE 51 4.946 -0.946 -5.346 397 HG12 ILE 51 HG12 ILE 51 4.691 2.065 -5.466 398 HG13 ILE 51 HG11 ILE 51 5.530 1.144 -6.714 399 HG21 ILE 51 HG21 ILE 51 4.589 -0.418 -2.890 400 HG22 ILE 51 HG22 ILE 51 3.210 -0.067 -3.931 401 HG23 ILE 51 HG23 ILE 51 4.247 1.244 -3.373 402 HD11 ILE 51 HD11 ILE 51 3.133 1.572 -7.275 403 HD12 ILE 51 HD12 ILE 51 2.667 0.650 -5.845 404 HD13 ILE 51 HD13 ILE 51 3.514 -0.147 -7.171 405 H ARG 52 HN ARG 52 6.789 2.473 -5.582 406 HA ARG 52 HA ARG 52 7.866 3.894 -3.293 407 HB2 ARG 52 HB2 ARG 52 6.723 4.881 -5.925 408 HB3 ARG 52 HB1 ARG 52 7.538 5.907 -4.743 409 HG2 ARG 52 HG2 ARG 52 9.581 4.567 -4.952 410 HG3 ARG 52 HG1 ARG 52 8.772 3.481 -6.083 411 HD2 ARG 52 HD2 ARG 52 10.102 5.070 -7.355 412 HD3 ARG 52 HD1 ARG 52 8.396 5.435 -7.608 413 HE ARG 52 HE ARG 52 9.375 6.974 -5.400 414 HH11 ARG 52 HH21 ARG 52 9.587 6.669 -8.839 415 HH12 ARG 52 HH22 ARG 52 9.914 8.352 -9.092 416 HH21 ARG 52 HH11 ARG 52 9.803 9.159 -5.725 417 HH22 ARG 52 HH12 ARG 52 10.036 9.758 -7.333 418 H ILE 53 HN ILE 53 6.787 5.418 -1.979 419 HA ILE 53 HA ILE 53 3.818 5.601 -2.266 420 HB ILE 53 HB ILE 53 3.566 5.310 0.179 421 HG12 ILE 53 HG12 ILE 53 6.461 4.394 0.139 422 HG13 ILE 53 HG11 ILE 53 5.948 5.968 0.740 423 HG21 ILE 53 HG21 ILE 53 5.039 2.936 -0.967 424 HG22 ILE 53 HG22 ILE 53 3.436 3.407 -1.533 425 HG23 ILE 53 HG23 ILE 53 3.675 2.942 0.151 426 HD11 ILE 53 HD11 ILE 53 5.060 5.099 2.658 427 HD12 ILE 53 HD12 ILE 53 6.170 3.772 2.320 428 HD13 ILE 53 HD13 ILE 53 4.476 3.635 1.866 429 H SER 54 HN SER 54 2.898 7.469 -1.273 430 HA SER 54 HA SER 54 4.773 9.525 -0.260 431 HB2 SER 54 HB2 SER 54 4.683 9.900 -2.699 432 HB3 SER 54 HB1 SER 54 2.925 9.980 -2.618 433 HG SER 54 HG SER 54 4.775 11.877 -2.062 434 H SER 55 HN SER 55 3.864 10.616 1.382 435 HA SER 55 HA SER 55 0.883 10.493 1.706 436 HB2 SER 55 HB2 SER 55 1.946 9.106 3.388 437 HB3 SER 55 HB1 SER 55 3.067 10.397 3.802 438 HG SER 55 HG SER 55 0.306 10.882 3.892 439 H PHE 56 HN PHE 56 -0.131 12.401 2.017 440 HA PHE 56 HA PHE 56 1.528 14.862 1.921 441 HB2 PHE 56 HB2 PHE 56 -1.403 14.292 1.459 442 HB3 PHE 56 HB1 PHE 56 -0.749 15.929 1.512 443 HD1 PHE 56 HD2 PHE 56 1.290 16.434 -0.017 444 HD2 PHE 56 HD1 PHE 56 -1.314 13.061 -0.550 445 HE1 PHE 56 HE2 PHE 56 2.049 16.221 -2.367 446 HE2 PHE 56 HE1 PHE 56 -0.553 12.844 -2.900 447 HZ PHE 56 HZ PHE 56 1.127 14.425 -3.809 448 H GLY 57 HN GLY 57 1.930 15.970 3.725 449 HA2 GLY 57 HA2 GLY 57 1.623 16.981 5.815 450 HA3 GLY 57 HA1 GLY 57 -0.091 16.603 5.670 451 H LYS 58 HN LYS 58 0.008 13.812 5.530 452 HA LYS 58 HA LYS 58 0.467 13.214 8.338 453 HB2 LYS 58 HB2 LYS 58 -1.383 12.339 6.669 454 HB3 LYS 58 HB1 LYS 58 -0.190 11.101 6.294 455 HG2 LYS 58 HG2 LYS 58 -0.074 10.425 8.627 456 HG3 LYS 58 HG1 LYS 58 -1.130 11.751 9.111 457 HD2 LYS 58 HD2 LYS 58 -2.113 9.793 7.044 458 HD3 LYS 58 HD1 LYS 58 -2.126 9.324 8.743 459 HE2 LYS 58 HE2 LYS 58 -3.418 11.841 7.647 460 HE3 LYS 58 HE1 LYS 58 -4.278 10.353 8.030 461 HZ1 LYS 58 HZ1 LYS 58 -2.728 12.033 9.924 462 HZ2 LYS 58 HZ2 LYS 58 -3.447 10.545 10.315 463 HZ3 LYS 58 HZ3 LYS 58 -4.415 11.869 9.871 464 H GLN 59 HN GLN 59 2.177 12.236 9.221 465 HA GLN 59 HA GLN 59 4.450 11.479 7.489 466 HB2 GLN 59 HB2 GLN 59 5.687 11.344 9.645 467 HB3 GLN 59 HB1 GLN 59 4.922 12.914 9.401 468 HG2 GLN 59 HG2 GLN 59 3.037 12.237 10.827 469 HG3 GLN 59 HG1 GLN 59 3.766 10.646 11.056 470 HE21 GLN 59 HE21 GLN 59 3.731 11.311 13.443 471 HE22 GLN 59 HE22 GLN 59 5.021 12.249 14.026 472 H LEU 60 HN LEU 60 5.661 9.486 8.045 473 HA LEU 60 HA LEU 60 3.890 7.248 8.970 474 HB2 LEU 60 HB2 LEU 60 5.905 7.182 6.701 475 HB3 LEU 60 HB1 LEU 60 4.918 5.829 7.255 476 HG LEU 60 HG LEU 60 3.809 8.434 6.170 477 HD11 LEU 60 HD11 LEU 60 4.927 7.218 4.388 478 HD12 LEU 60 HD12 LEU 60 3.185 7.019 4.196 479 HD13 LEU 60 HD13 LEU 60 4.153 5.711 4.879 480 HD21 LEU 60 HD21 LEU 60 1.738 6.833 5.976 481 HD22 LEU 60 HD22 LEU 60 2.123 7.528 7.543 482 HD23 LEU 60 HD23 LEU 60 2.584 5.864 7.180 483 H GLN 61 HN GLN 61 5.074 5.442 9.875 484 HA GLN 61 HA GLN 61 7.641 6.309 11.139 485 HB2 GLN 61 HB2 GLN 61 5.507 4.335 11.960 486 HB3 GLN 61 HB1 GLN 61 7.072 4.443 12.772 487 HG2 GLN 61 HG2 GLN 61 5.171 6.779 12.415 488 HG3 GLN 61 HG1 GLN 61 5.267 5.798 13.879 489 HE21 GLN 61 HE21 GLN 61 6.267 8.710 12.802 490 HE22 GLN 61 HE22 GLN 61 7.767 8.840 13.589 491 H ASP 62 HN ASP 62 9.460 5.228 10.773 492 HA ASP 62 HA ASP 62 9.607 3.325 8.631 493 HB2 ASP 62 HB2 ASP 62 12.002 3.233 9.173 494 HB3 ASP 62 HB1 ASP 62 11.420 4.895 9.124 495 H SER 63 HN SER 63 9.986 1.135 8.659 496 HA SER 63 HA SER 63 9.964 -1.059 9.458 497 HB2 SER 63 HB2 SER 63 11.828 -0.012 10.941 498 HB3 SER 63 HB1 SER 63 10.611 -0.002 12.213 499 HG SER 63 HG SER 63 11.977 -2.093 11.062 500 H ASP 64 HN ASP 64 7.823 1.257 10.183 501 HA ASP 64 HA ASP 64 6.244 -0.254 12.175 502 HB2 ASP 64 HB2 ASP 64 6.483 2.262 12.181 503 HB3 ASP 64 HB1 ASP 64 5.486 2.286 10.723 504 H VAL 65 HN VAL 65 4.502 -1.481 11.670 505 HA VAL 65 HA VAL 65 3.933 -1.992 8.822 506 HB VAL 65 HB VAL 65 2.863 -3.234 11.376 507 HG11 VAL 65 HG11 VAL 65 2.327 -3.799 8.453 508 HG12 VAL 65 HG12 VAL 65 1.155 -3.517 9.741 509 HG13 VAL 65 HG13 VAL 65 2.077 -5.019 9.701 510 HG21 VAL 65 HG21 VAL 65 4.348 -5.033 10.927 511 HG22 VAL 65 HG22 VAL 65 5.315 -3.586 10.641 512 HG23 VAL 65 HG23 VAL 65 4.644 -4.485 9.279 513 H VAL 66 HN VAL 66 2.383 -0.886 7.786 514 HA VAL 66 HA VAL 66 -0.026 0.025 9.301 515 HB VAL 66 HB VAL 66 0.069 2.215 8.338 516 HG11 VAL 66 HG11 VAL 66 2.144 3.081 9.259 517 HG12 VAL 66 HG12 VAL 66 2.900 1.491 9.150 518 HG13 VAL 66 HG13 VAL 66 1.580 1.765 10.289 519 HG21 VAL 66 HG21 VAL 66 0.803 1.815 6.106 520 HG22 VAL 66 HG22 VAL 66 2.291 1.041 6.650 521 HG23 VAL 66 HG23 VAL 66 2.087 2.783 6.829 522 H ARG 67 HN ARG 67 -1.848 0.472 7.906 523 HA ARG 67 HA ARG 67 -1.733 -0.927 5.265 524 HB2 ARG 67 HB2 ARG 67 -2.920 -2.292 6.948 525 HB3 ARG 67 HB1 ARG 67 -4.011 -0.941 7.258 526 HG2 ARG 67 HG2 ARG 67 -4.820 -1.004 4.966 527 HG3 ARG 67 HG1 ARG 67 -3.645 -2.248 4.547 528 HD2 ARG 67 HD2 ARG 67 -4.696 -3.792 6.160 529 HD3 ARG 67 HD1 ARG 67 -5.866 -2.545 6.591 530 HE ARG 67 HE ARG 67 -6.055 -2.862 3.803 531 HH11 ARG 67 HH21 ARG 67 -6.434 -4.741 6.677 532 HH12 ARG 67 HH22 ARG 67 -7.635 -5.783 5.990 533 HH21 ARG 67 HH11 ARG 67 -7.615 -4.214 2.900 534 HH22 ARG 67 HH12 ARG 67 -8.302 -5.485 3.854 535 H ILE 68 HN ILE 68 -2.270 0.362 3.626 536 HA ILE 68 HA ILE 68 -3.605 2.956 4.229 537 HB ILE 68 HB ILE 68 -2.261 2.013 1.675 538 HG12 ILE 68 HG12 ILE 68 -1.195 3.882 3.812 539 HG13 ILE 68 HG11 ILE 68 -0.749 2.180 3.698 540 HG21 ILE 68 HG21 ILE 68 -3.955 3.856 1.458 541 HG22 ILE 68 HG22 ILE 68 -2.319 4.377 1.069 542 HG23 ILE 68 HG23 ILE 68 -3.028 4.791 2.629 543 HD11 ILE 68 HD11 ILE 68 -0.399 4.168 1.438 544 HD12 ILE 68 HD12 ILE 68 0.200 2.510 1.496 545 HD13 ILE 68 HD13 ILE 68 0.880 3.732 2.571 546 H ASP 69 HN ASP 69 -5.669 3.246 3.701 547 HA ASP 69 HA ASP 69 -7.010 1.270 1.889 548 HB2 ASP 69 HB2 ASP 69 -7.744 1.406 4.325 549 HB3 ASP 69 HB1 ASP 69 -8.326 3.032 3.969 550 H ASN 70 HN ASN 70 -8.113 2.039 0.158 551 HA ASN 70 HA ASN 70 -8.832 3.506 -1.499 552 HB2 ASN 70 HB2 ASN 70 -10.155 4.405 0.510 553 HB3 ASN 70 HB1 ASN 70 -8.921 5.664 0.613 554 HD21 ASN 70 HD21 ASN 70 -10.606 7.275 -0.006 555 HD22 ASN 70 HD22 ASN 70 -11.094 7.407 -1.627 556 H ALA 71 HN ALA 71 -6.039 3.149 -1.126 557 HA ALA 71 HA ALA 71 -4.622 5.656 -1.135 558 HB1 ALA 71 HB1 ALA 71 -2.707 4.392 -1.669 559 HB2 ALA 71 HB2 ALA 71 -3.638 3.166 -2.529 560 HB3 ALA 71 HB3 ALA 71 -3.703 3.250 -0.771 561 H ARG 72 HN ARG 72 -3.813 6.835 -2.925 562 HA ARG 72 HA ARG 72 -5.401 6.479 -5.420 563 HB2 ARG 72 HB2 ARG 72 -5.327 8.688 -4.148 564 HB3 ARG 72 HB1 ARG 72 -3.649 8.828 -4.679 565 HG2 ARG 72 HG2 ARG 72 -4.350 8.694 -7.020 566 HG3 ARG 72 HG1 ARG 72 -6.026 8.461 -6.528 567 HD2 ARG 72 HD2 ARG 72 -5.737 10.793 -7.116 568 HD3 ARG 72 HD1 ARG 72 -5.923 10.692 -5.366 569 HE ARG 72 HE ARG 72 -3.139 10.568 -6.011 570 HH11 ARG 72 HH21 ARG 72 -5.853 12.713 -6.019 571 HH12 ARG 72 HH22 ARG 72 -4.892 14.131 -5.763 572 HH21 ARG 72 HH11 ARG 72 -1.885 12.410 -5.678 573 HH22 ARG 72 HH12 ARG 72 -2.650 13.961 -5.571 574 H VAL 73 HN VAL 73 -4.450 5.513 -7.091 575 HA VAL 73 HA VAL 73 -1.571 5.012 -7.120 576 HB VAL 73 HB VAL 73 -3.766 4.360 -9.103 577 HG11 VAL 73 HG11 VAL 73 -0.829 3.644 -9.040 578 HG12 VAL 73 HG12 VAL 73 -1.723 4.428 -10.342 579 HG13 VAL 73 HG13 VAL 73 -2.013 2.730 -9.971 580 HG21 VAL 73 HG21 VAL 73 -4.118 3.092 -7.126 581 HG22 VAL 73 HG22 VAL 73 -2.391 2.840 -6.882 582 HG23 VAL 73 HG23 VAL 73 -3.226 2.009 -8.192 583 H ALA 74 HN ALA 74 -0.062 6.114 -8.282 584 HA ALA 74 HA ALA 74 -0.924 7.926 -10.470 585 HB1 ALA 74 HB1 ALA 74 0.509 8.802 -7.950 586 HB2 ALA 74 HB2 ALA 74 -0.989 9.447 -8.621 587 HB3 ALA 74 HB3 ALA 74 0.543 9.744 -9.441 588 H GLN 75 HN GLN 75 0.853 8.552 -11.839 589 HA GLN 75 HA GLN 75 3.245 6.757 -11.586 590 HB2 GLN 75 HB2 GLN 75 1.815 6.259 -13.533 591 HB3 GLN 75 HB1 GLN 75 1.967 7.932 -14.068 592 HG2 GLN 75 HG2 GLN 75 4.361 7.686 -14.364 593 HG3 GLN 75 HG1 GLN 75 4.323 6.072 -13.653 594 HE21 GLN 75 HE21 GLN 75 4.404 4.476 -15.218 595 HE22 GLN 75 HE22 GLN 75 3.726 4.587 -16.770 596 H PHE 76 HN PHE 76 5.043 7.830 -11.059 597 HA PHE 76 HA PHE 76 5.361 10.674 -11.972 598 HB2 PHE 76 HB2 PHE 76 6.400 9.311 -9.470 599 HB3 PHE 76 HB1 PHE 76 6.829 10.946 -9.974 600 HD1 PHE 76 HD1 PHE 76 4.839 12.571 -10.470 601 HD2 PHE 76 HD2 PHE 76 4.489 8.983 -8.132 602 HE1 PHE 76 HE1 PHE 76 2.769 13.452 -9.425 603 HE2 PHE 76 HE2 PHE 76 2.420 9.866 -7.088 604 HZ PHE 76 HZ PHE 76 1.560 12.100 -7.734 605 H ASN 77 HN ASN 77 6.983 10.987 -13.342 606 HA ASN 77 HA ASN 77 8.871 10.614 -14.652 607 HB2 ASN 77 HB2 ASN 77 9.782 9.447 -12.012 608 HB3 ASN 77 HB1 ASN 77 10.851 9.666 -13.396 609 HD21 ASN 77 HD21 ASN 77 9.286 12.209 -14.168 610 HD22 ASN 77 HD22 ASN 77 9.850 13.385 -13.086 611 H GLY 78 HN GLY 78 6.752 8.629 -14.738 612 HA2 GLY 78 HA2 GLY 78 6.484 6.677 -16.034 613 HA3 GLY 78 HA1 GLY 78 8.237 6.545 -16.136 614 H TYR 79 HN TYR 79 7.362 6.960 -12.921 615 HA TYR 79 HA TYR 79 7.469 3.996 -12.444 616 HB2 TYR 79 HB2 TYR 79 8.455 6.308 -10.755 617 HB3 TYR 79 HB1 TYR 79 8.409 4.629 -10.212 618 HD1 TYR 79 HD1 TYR 79 9.726 2.882 -11.458 619 HD2 TYR 79 HD2 TYR 79 10.176 7.085 -12.220 620 HE1 TYR 79 HE1 TYR 79 11.891 2.446 -12.587 621 HE2 TYR 79 HE2 TYR 79 12.341 6.648 -13.349 622 HH TYR 79 HH TYR 79 14.137 4.789 -13.216 623 H LEU 80 HN LEU 80 5.845 3.087 -11.327 624 HA LEU 80 HA LEU 80 3.492 4.668 -10.677 625 HB2 LEU 80 HB2 LEU 80 4.096 1.749 -10.141 626 HB3 LEU 80 HB1 LEU 80 2.508 2.512 -10.050 627 HG LEU 80 HG LEU 80 4.232 2.373 -12.541 628 HD11 LEU 80 HD11 LEU 80 3.370 0.169 -11.964 629 HD12 LEU 80 HD12 LEU 80 2.467 0.799 -13.341 630 HD13 LEU 80 HD13 LEU 80 1.751 0.829 -11.729 631 HD21 LEU 80 HD21 LEU 80 1.845 3.020 -13.511 632 HD22 LEU 80 HD22 LEU 80 2.914 4.268 -12.882 633 HD23 LEU 80 HD23 LEU 80 1.589 3.661 -11.887 634 H SER 81 HN SER 81 2.643 5.082 -8.636 635 HA SER 81 HA SER 81 4.066 4.156 -6.236 636 HB2 SER 81 HB2 SER 81 4.806 6.247 -5.469 637 HB3 SER 81 HB1 SER 81 5.207 6.300 -7.183 638 HG SER 81 HG SER 81 3.436 7.790 -5.742 639 H LEU 82 HN LEU 82 2.871 4.766 -4.259 640 HA LEU 82 HA LEU 82 -0.045 5.142 -4.829 641 HB2 LEU 82 HB2 LEU 82 1.310 4.029 -2.354 642 HB3 LEU 82 HB1 LEU 82 -0.421 4.034 -2.690 643 HG LEU 82 HG LEU 82 1.687 2.596 -4.331 644 HD11 LEU 82 HD11 LEU 82 0.594 0.549 -3.447 645 HD12 LEU 82 HD12 LEU 82 -0.437 1.556 -2.431 646 HD13 LEU 82 HD13 LEU 82 1.305 1.523 -2.160 647 HD21 LEU 82 HD21 LEU 82 -1.284 3.006 -4.654 648 HD22 LEU 82 HD22 LEU 82 -0.537 1.524 -5.251 649 HD23 LEU 82 HD23 LEU 82 -0.012 3.083 -5.873 650 H SER 83 HN SER 83 -0.806 7.119 -4.415 651 HA SER 83 HA SER 83 0.642 8.890 -2.508 652 HB2 SER 83 HB2 SER 83 -1.364 9.363 -4.712 653 HB3 SER 83 HB1 SER 83 -1.017 10.607 -3.512 654 HG SER 83 HG SER 83 1.241 10.268 -4.088 655 H VAL 84 HN VAL 84 -0.178 9.228 -0.519 656 HA VAL 84 HA VAL 84 -2.956 8.291 0.056 657 HB VAL 84 HB VAL 84 -0.830 8.989 2.086 658 HG11 VAL 84 HG11 VAL 84 -3.313 7.258 2.083 659 HG12 VAL 84 HG12 VAL 84 -3.035 8.728 3.015 660 HG13 VAL 84 HG13 VAL 84 -2.132 7.262 3.387 661 HG21 VAL 84 HG21 VAL 84 0.240 7.353 0.702 662 HG22 VAL 84 HG22 VAL 84 -1.250 6.424 0.534 663 HG23 VAL 84 HG23 VAL 84 -0.407 6.467 2.083 664 H GLY 85 HN GLY 85 -4.363 9.929 -0.133 665 HA2 GLY 85 HA2 GLY 85 -3.577 12.691 0.629 666 HA3 GLY 85 HA1 GLY 85 -5.018 12.236 -0.275 667 H ASP 86 HN ASP 86 -5.736 13.871 1.533 668 HA ASP 86 HA ASP 86 -6.080 12.898 4.221 669 HB2 ASP 86 HB2 ASP 86 -7.477 15.052 2.615 670 HB3 ASP 86 HB1 ASP 86 -7.835 14.737 4.313 671 H SER 87 HN SER 87 -7.676 12.192 1.257 672 HA SER 87 HA SER 87 -10.217 11.394 2.500 673 HB2 SER 87 HB2 SER 87 -10.816 10.649 0.243 674 HB3 SER 87 HB1 SER 87 -10.099 12.255 0.159 675 HG SER 87 HG SER 87 -9.345 10.329 -1.262 676 H SER 88 HN SER 88 -7.131 10.056 2.215 677 HA SER 88 HA SER 88 -8.024 7.249 2.067 678 HB2 SER 88 HB2 SER 88 -5.937 7.806 0.961 679 HB3 SER 88 HB1 SER 88 -5.297 8.508 2.444 680 HG SER 88 HG SER 88 -6.071 5.798 2.058 681 H ARG 89 HN ARG 89 -7.159 5.723 3.770 682 HA ARG 89 HA ARG 89 -7.101 6.984 6.490 683 HB2 ARG 89 HB2 ARG 89 -9.379 6.005 5.913 684 HB3 ARG 89 HB1 ARG 89 -8.591 4.432 5.830 685 HG2 ARG 89 HG2 ARG 89 -9.304 4.445 8.053 686 HG3 ARG 89 HG1 ARG 89 -7.672 5.083 8.229 687 HD2 ARG 89 HD2 ARG 89 -8.583 7.394 8.177 688 HD3 ARG 89 HD1 ARG 89 -10.207 6.736 8.018 689 HE ARG 89 HE ARG 89 -10.146 6.106 10.309 690 HH11 ARG 89 HH21 ARG 89 -7.081 7.206 9.139 691 HH12 ARG 89 HH22 ARG 89 -6.393 7.356 10.722 692 HH21 ARG 89 HH11 ARG 89 -9.258 6.305 12.363 693 HH22 ARG 89 HH12 ARG 89 -7.623 6.847 12.544 694 H ILE 90 HN ILE 90 -5.551 6.164 7.798 695 HA ILE 90 HA ILE 90 -4.035 3.761 6.827 696 HB ILE 90 HB ILE 90 -3.063 6.152 8.417 697 HG12 ILE 90 HG12 ILE 90 -2.361 5.205 5.617 698 HG13 ILE 90 HG11 ILE 90 -3.497 6.509 5.961 699 HG21 ILE 90 HG21 ILE 90 -1.696 3.613 7.480 700 HG22 ILE 90 HG22 ILE 90 -1.873 4.179 9.141 701 HG23 ILE 90 HG23 ILE 90 -0.817 5.040 8.026 702 HD11 ILE 90 HD11 ILE 90 -1.471 7.649 5.580 703 HD12 ILE 90 HD12 ILE 90 -0.523 6.434 6.432 704 HD13 ILE 90 HD13 ILE 90 -1.544 7.548 7.336 705 H GLU 91 HN GLU 91 -3.952 2.060 8.171 706 HA GLU 91 HA GLU 91 -4.823 2.424 11.023 707 HB2 GLU 91 HB2 GLU 91 -5.276 0.125 9.101 708 HB3 GLU 91 HB1 GLU 91 -5.606 0.034 10.834 709 HG2 GLU 91 HG2 GLU 91 -7.181 1.903 10.660 710 HG3 GLU 91 HG1 GLU 91 -6.818 2.071 8.942 711 H SER 92 HN SER 92 -3.240 2.020 12.435 712 HA SER 92 HA SER 92 -0.743 0.760 11.593 713 HB2 SER 92 HB2 SER 92 -1.742 1.992 14.156 714 HB3 SER 92 HB1 SER 92 -0.212 1.118 14.107 715 HG SER 92 HG SER 92 0.636 2.772 13.146 716 H VAL 93 HN VAL 93 0.115 -1.183 12.422 717 HA VAL 93 HA VAL 93 -1.711 -2.920 14.024 718 HB VAL 93 HB VAL 93 -0.208 -4.030 11.646 719 HG11 VAL 93 HG11 VAL 93 -1.714 -5.863 11.877 720 HG12 VAL 93 HG12 VAL 93 -2.800 -4.937 12.913 721 HG13 VAL 93 HG13 VAL 93 -1.228 -5.455 13.524 722 HG21 VAL 93 HG21 VAL 93 -2.482 -3.873 10.466 723 HG22 VAL 93 HG22 VAL 93 -1.572 -2.370 10.608 724 HG23 VAL 93 HG23 VAL 93 -2.922 -2.691 11.697 725 H ASN 94 HN ASN 94 0.584 -1.473 14.879 726 HA ASN 94 HA ASN 94 2.262 -3.732 15.785 727 HB2 ASN 94 HB2 ASN 94 3.409 -2.920 13.749 728 HB3 ASN 94 HB1 ASN 94 3.449 -1.289 14.421 729 HD21 ASN 94 HD21 ASN 94 5.882 -2.607 13.788 730 HD22 ASN 94 HD22 ASN 94 6.699 -2.984 15.227 731 H VAL 95 HN VAL 95 1.766 -3.445 17.907 732 HA VAL 95 HA VAL 95 1.293 -0.951 19.208 733 HB VAL 95 HB VAL 95 2.294 -3.495 20.517 734 HG11 VAL 95 HG11 VAL 95 0.304 -1.463 21.543 735 HG12 VAL 95 HG12 VAL 95 2.034 -1.299 21.832 736 HG13 VAL 95 HG13 VAL 95 1.166 -2.699 22.457 737 HG21 VAL 95 HG21 VAL 95 -0.131 -4.080 20.697 738 HG22 VAL 95 HG22 VAL 95 0.476 -4.111 19.041 739 HG23 VAL 95 HG23 VAL 95 -0.494 -2.747 19.600 740 H ASN 96 HN ASN 96 3.584 -2.564 21.081 741 HA ASN 96 HA ASN 96 5.672 -1.962 21.890 742 HB2 ASN 96 HB2 ASN 96 6.005 -1.239 18.970 743 HB3 ASN 96 HB1 ASN 96 7.315 -1.127 20.143 744 HD21 ASN 96 HD21 ASN 96 7.372 -2.971 17.920 745 HD22 ASN 96 HD22 ASN 96 7.330 -4.545 18.552 746 H ILE 97 HN ILE 97 3.502 -0.060 22.137 747 HA ILE 97 HA ILE 97 5.125 2.443 22.374 748 HB ILE 97 HB ILE 97 3.576 2.532 20.383 749 HG12 ILE 97 HG12 ILE 97 2.688 4.487 22.519 750 HG13 ILE 97 HG11 ILE 97 4.320 4.534 21.858 751 HG21 ILE 97 HG21 ILE 97 1.303 2.200 20.551 752 HG22 ILE 97 HG22 ILE 97 1.203 2.895 22.163 753 HG23 ILE 97 HG23 ILE 97 1.754 1.235 21.954 754 HD11 ILE 97 HD11 ILE 97 2.640 6.050 20.707 755 HD12 ILE 97 HD12 ILE 97 1.842 4.589 20.123 756 HD13 ILE 97 HD13 ILE 97 3.503 4.940 19.643 757 HA PRO 98 HA PRO 98 2.685 1.114 26.211 758 HB2 PRO 98 HB2 PRO 98 4.854 0.646 27.847 759 HB3 PRO 98 HB1 PRO 98 4.078 -0.606 26.857 760 HG2 PRO 98 HG2 PRO 98 6.567 0.953 26.324 761 HG3 PRO 98 HG1 PRO 98 6.220 -0.760 26.019 762 HD2 PRO 98 HD2 PRO 98 6.153 1.130 24.038 763 HD3 PRO 98 HD1 PRO 98 5.130 -0.324 24.016 764 H LEU 99 HN LEU 99 2.387 2.417 28.076 765 HA LEU 99 HA LEU 99 3.239 5.171 27.801 766 HB2 LEU 99 HB2 LEU 99 1.869 3.809 30.143 767 HB3 LEU 99 HB1 LEU 99 1.930 5.544 29.835 768 HG LEU 99 HG LEU 99 0.641 3.480 28.020 769 HD11 LEU 99 HD11 LEU 99 -1.475 4.587 28.705 770 HD12 LEU 99 HD12 LEU 99 -0.567 5.583 29.842 771 HD13 LEU 99 HD13 LEU 99 -0.651 3.837 30.071 772 HD21 LEU 99 HD21 LEU 99 -0.310 5.727 27.032 773 HD22 LEU 99 HD22 LEU 99 1.304 5.204 26.569 774 HD23 LEU 99 HD23 LEU 99 1.103 6.455 27.798 775 H GLU 100 HN GLU 100 4.744 6.301 28.983 776 HA GLU 100 HA GLU 100 6.888 4.742 30.190 777 HB2 GLU 100 HB2 GLU 100 7.242 6.796 28.780 778 HB3 GLU 100 HB1 GLU 100 6.559 7.752 30.093 779 HG2 GLU 100 HG2 GLU 100 8.954 7.814 30.336 780 HG3 GLU 100 HG1 GLU 100 8.331 6.767 31.610 781 H HIS 101 HN HIS 101 7.411 4.581 32.330 782 HA HIS 101 HA HIS 101 6.062 6.222 34.367 783 HB2 HIS 101 HB2 HIS 101 4.451 4.366 33.942 784 HB3 HIS 101 HB1 HIS 101 5.725 3.204 34.312 785 HD1 HIS 101 HD1 HIS 101 6.704 3.300 36.814 786 HD2 HIS 101 HD2 HIS 101 3.174 5.428 36.185 787 HE1 HIS 101 HE1 HIS 101 5.741 3.786 39.107 788 H HIS 102 HN HIS 102 7.652 3.018 34.334 789 HA HIS 102 HA HIS 102 9.384 3.788 36.533 790 HB2 HIS 102 HB2 HIS 102 10.353 1.554 36.285 791 HB3 HIS 102 HB1 HIS 102 8.595 1.459 36.231 792 HD1 HIS 102 HD1 HIS 102 7.539 1.355 33.727 793 HD2 HIS 102 HD2 HIS 102 11.605 0.485 34.047 794 HE1 HIS 102 HE1 HIS 102 8.191 0.176 31.583 795 H HIS 103 HN HIS 103 11.550 4.267 36.481 796 HA HIS 103 HA HIS 103 13.431 5.348 35.589 797 HB2 HIS 103 HB2 HIS 103 13.100 2.949 33.776 798 HB3 HIS 103 HB1 HIS 103 14.535 3.976 33.787 799 HD1 HIS 103 HD1 HIS 103 12.617 1.550 35.944 800 HD2 HIS 103 HD2 HIS 103 16.222 3.643 36.028 801 HE1 HIS 103 HE1 HIS 103 13.942 0.617 37.890 802 H HIS 104 HN HIS 104 14.419 5.653 33.050 803 HA HIS 104 HA HIS 104 12.279 6.744 31.331 804 HB2 HIS 104 HB2 HIS 104 13.419 8.980 31.231 805 HB3 HIS 104 HB1 HIS 104 12.687 8.632 32.794 806 HD1 HIS 104 HD1 HIS 104 15.769 9.782 31.351 807 HD2 HIS 104 HD2 HIS 104 14.785 7.448 34.664 808 HE1 HIS 104 HE1 HIS 104 17.801 9.791 32.863 809 H HIS 105 HN HIS 105 13.197 7.517 29.232 810 HA HIS 105 HA HIS 105 15.217 5.636 28.300 811 HB2 HIS 105 HB2 HIS 105 13.377 6.118 26.829 812 HB3 HIS 105 HB1 HIS 105 13.671 7.852 26.932 813 HD1 HIS 105 HD1 HIS 105 15.248 4.682 25.561 814 HD2 HIS 105 HD2 HIS 105 15.568 8.815 25.114 815 HE1 HIS 105 HE1 HIS 105 16.820 5.073 23.614 816 H HIS 106 HN HIS 106 17.341 6.006 28.061 817 HA HIS 106 HA HIS 106 18.437 8.670 27.605 818 HB2 HIS 106 HB2 HIS 106 18.127 8.778 30.029 819 HB3 HIS 106 HB1 HIS 106 18.945 7.228 30.226 820 HD1 HIS 106 HD1 HIS 106 19.678 10.716 28.880 821 HD2 HIS 106 HD2 HIS 106 21.687 7.457 30.529 822 HE1 HIS 106 HE1 HIS 106 22.084 11.441 29.190 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 -10.641 0.475 -4.686 2 H2 SER 1 HT2 SER 1 -12.128 0.844 -3.953 3 H3 SER 1 HT3 SER 1 -11.621 -0.771 -4.085 4 HA SER 1 HA SER 1 -9.663 0.772 -2.733 5 HB2 SER 1 HB2 SER 1 -11.032 1.180 -0.693 6 HB3 SER 1 HB1 SER 1 -11.556 2.162 -2.056 7 HG SER 1 HG SER 1 -13.430 1.287 -1.655 8 H ASP 2 HN ASP 2 -10.686 -1.906 -3.839 9 HA ASP 2 HA ASP 2 -10.977 -3.635 -1.527 10 HB2 ASP 2 HB2 ASP 2 -10.472 -4.156 -4.461 11 HB3 ASP 2 HB1 ASP 2 -10.608 -5.454 -3.272 12 H LEU 3 HN LEU 3 -9.446 -5.423 -1.071 13 HA LEU 3 HA LEU 3 -6.742 -4.367 -0.819 14 HB2 LEU 3 HB2 LEU 3 -7.709 -5.628 1.018 15 HB3 LEU 3 HB1 LEU 3 -7.989 -7.013 -0.034 16 HG LEU 3 HG LEU 3 -5.586 -7.336 -0.324 17 HD11 LEU 3 HD11 LEU 3 -5.446 -4.720 1.176 18 HD12 LEU 3 HD12 LEU 3 -4.625 -5.187 -0.315 19 HD13 LEU 3 HD13 LEU 3 -4.093 -5.851 1.226 20 HD21 LEU 3 HD21 LEU 3 -5.066 -8.074 1.894 21 HD22 LEU 3 HD22 LEU 3 -6.818 -8.201 1.735 22 HD23 LEU 3 HD23 LEU 3 -6.109 -6.850 2.617 23 H VAL 4 HN VAL 4 -5.149 -4.684 -2.274 24 HA VAL 4 HA VAL 4 -5.181 -7.144 -3.965 25 HB VAL 4 HB VAL 4 -4.529 -5.770 -5.932 26 HG11 VAL 4 HG11 VAL 4 -6.757 -5.036 -6.446 27 HG12 VAL 4 HG12 VAL 4 -7.146 -4.826 -4.739 28 HG13 VAL 4 HG13 VAL 4 -6.916 -6.445 -5.399 29 HG21 VAL 4 HG21 VAL 4 -5.139 -3.271 -5.692 30 HG22 VAL 4 HG22 VAL 4 -3.614 -3.796 -4.980 31 HG23 VAL 4 HG23 VAL 4 -5.022 -3.537 -3.953 32 H LYS 5 HN LYS 5 -3.050 -7.524 -4.981 33 HA LYS 5 HA LYS 5 -0.930 -7.110 -3.043 34 HB2 LYS 5 HB2 LYS 5 -1.003 -8.407 -5.776 35 HB3 LYS 5 HB1 LYS 5 0.445 -8.352 -4.771 36 HG2 LYS 5 HG2 LYS 5 -0.769 -9.509 -2.956 37 HG3 LYS 5 HG1 LYS 5 -2.213 -9.572 -3.966 38 HD2 LYS 5 HD2 LYS 5 -0.966 -10.899 -5.647 39 HD3 LYS 5 HD1 LYS 5 0.454 -10.867 -4.603 40 HE2 LYS 5 HE2 LYS 5 -2.234 -11.998 -3.775 41 HE3 LYS 5 HE1 LYS 5 -0.896 -12.973 -4.382 42 HZ1 LYS 5 HZ1 LYS 5 0.456 -11.893 -2.550 43 HZ2 LYS 5 HZ2 LYS 5 -0.700 -13.040 -2.069 44 HZ3 LYS 5 HZ3 LYS 5 -1.022 -11.380 -1.892 45 H ILE 6 HN ILE 6 1.165 -6.152 -3.595 46 HA ILE 6 HA ILE 6 0.946 -3.514 -4.664 47 HB ILE 6 HB ILE 6 3.355 -5.256 -4.093 48 HG12 ILE 6 HG12 ILE 6 2.223 -2.896 -2.563 49 HG13 ILE 6 HG11 ILE 6 1.804 -4.571 -2.201 50 HG21 ILE 6 HG21 ILE 6 3.131 -2.351 -4.908 51 HG22 ILE 6 HG22 ILE 6 4.126 -3.612 -5.638 52 HG23 ILE 6 HG23 ILE 6 4.533 -2.979 -4.043 53 HD11 ILE 6 HD11 ILE 6 3.720 -3.562 -0.830 54 HD12 ILE 6 HD12 ILE 6 4.673 -3.621 -2.312 55 HD13 ILE 6 HD13 ILE 6 4.048 -5.111 -1.605 56 H ARG 7 HN ARG 7 2.272 -6.517 -6.085 57 HA ARG 7 HA ARG 7 3.153 -5.266 -8.520 58 HB2 ARG 7 HB2 ARG 7 3.463 -7.494 -9.361 59 HB3 ARG 7 HB1 ARG 7 3.881 -7.531 -7.651 60 HG2 ARG 7 HG2 ARG 7 1.561 -8.355 -7.154 61 HG3 ARG 7 HG1 ARG 7 1.262 -8.448 -8.887 62 HD2 ARG 7 HD2 ARG 7 3.155 -10.008 -9.141 63 HD3 ARG 7 HD1 ARG 7 3.453 -9.926 -7.408 64 HE ARG 7 HE ARG 7 1.531 -11.280 -7.034 65 HH11 ARG 7 HH21 ARG 7 1.849 -10.271 -10.320 66 HH12 ARG 7 HH22 ARG 7 0.661 -11.384 -10.911 67 HH21 ARG 7 HH11 ARG 7 -0.017 -12.732 -7.793 68 HH22 ARG 7 HH12 ARG 7 -0.395 -12.776 -9.483 69 H ASP 8 HN ASP 8 0.043 -6.149 -7.361 70 HA ASP 8 HA ASP 8 -1.186 -6.348 -10.023 71 HB2 ASP 8 HB2 ASP 8 -2.340 -6.215 -7.222 72 HB3 ASP 8 HB1 ASP 8 -3.317 -6.402 -8.679 73 H VAL 9 HN VAL 9 -0.008 -3.833 -8.207 74 HA VAL 9 HA VAL 9 -2.107 -1.893 -8.403 75 HB VAL 9 HB VAL 9 0.898 -1.581 -8.205 76 HG11 VAL 9 HG11 VAL 9 0.123 0.483 -9.114 77 HG12 VAL 9 HG12 VAL 9 0.226 0.755 -7.376 78 HG13 VAL 9 HG13 VAL 9 -1.340 0.454 -8.129 79 HG21 VAL 9 HG21 VAL 9 -1.236 -1.116 -6.112 80 HG22 VAL 9 HG22 VAL 9 0.504 -1.280 -5.870 81 HG23 VAL 9 HG23 VAL 9 -0.459 -2.684 -6.331 82 H SER 10 HN SER 10 -2.764 -0.659 -10.085 83 HA SER 10 HA SER 10 -0.997 -0.122 -12.362 84 HB2 SER 10 HB2 SER 10 -3.544 -1.733 -12.727 85 HB3 SER 10 HB1 SER 10 -2.550 -1.087 -14.030 86 HG SER 10 HG SER 10 -1.915 -3.071 -12.115 87 H LEU 11 HN LEU 11 -2.186 1.296 -13.972 88 HA LEU 11 HA LEU 11 -3.459 3.479 -12.626 89 HB2 LEU 11 HB2 LEU 11 -3.340 2.758 -15.565 90 HB3 LEU 11 HB1 LEU 11 -3.868 4.320 -14.939 91 HG LEU 11 HG LEU 11 -1.148 3.082 -14.420 92 HD11 LEU 11 HD11 LEU 11 -2.053 5.187 -16.399 93 HD12 LEU 11 HD12 LEU 11 -1.248 3.656 -16.745 94 HD13 LEU 11 HD13 LEU 11 -0.365 4.955 -15.942 95 HD21 LEU 11 HD21 LEU 11 -1.427 4.559 -12.642 96 HD22 LEU 11 HD22 LEU 11 -2.498 5.626 -13.553 97 HD23 LEU 11 HD23 LEU 11 -0.763 5.655 -13.849 98 H SER 12 HN SER 12 -4.746 0.759 -14.494 99 HA SER 12 HA SER 12 -7.426 1.607 -14.762 100 HB2 SER 12 HB2 SER 12 -7.992 -0.772 -14.889 101 HB3 SER 12 HB1 SER 12 -6.489 -0.475 -15.758 102 HG SER 12 HG SER 12 -5.361 -1.224 -13.957 103 H THR 13 HN THR 13 -5.661 0.662 -11.930 104 HA THR 13 HA THR 13 -8.182 0.631 -10.311 105 HB THR 13 HB THR 13 -7.118 -0.774 -8.769 106 HG1 THR 13 HG1 THR 13 -4.650 -0.480 -10.091 107 HG21 THR 13 HG21 THR 13 -5.996 -1.596 -11.453 108 HG22 THR 13 HG22 THR 13 -7.667 -1.848 -10.950 109 HG23 THR 13 HG23 THR 13 -6.357 -2.658 -10.090 110 HA PRO 14 HA PRO 14 -5.871 4.546 -9.310 111 HB2 PRO 14 HB2 PRO 14 -8.056 6.182 -9.140 112 HB3 PRO 14 HB1 PRO 14 -7.260 5.801 -10.679 113 HG2 PRO 14 HG2 PRO 14 -9.735 4.630 -9.489 114 HG3 PRO 14 HG1 PRO 14 -9.405 5.092 -11.170 115 HD2 PRO 14 HD2 PRO 14 -9.290 2.512 -10.291 116 HD3 PRO 14 HD1 PRO 14 -8.294 3.103 -11.639 117 H TYR 15 HN TYR 15 -8.525 2.863 -7.823 118 HA TYR 15 HA TYR 15 -7.766 4.017 -5.157 119 HB2 TYR 15 HB2 TYR 15 -10.506 3.169 -6.141 120 HB3 TYR 15 HB1 TYR 15 -10.132 3.671 -4.491 121 HD1 TYR 15 HD1 TYR 15 -8.861 5.979 -4.276 122 HD2 TYR 15 HD2 TYR 15 -11.218 4.804 -7.672 123 HE1 TYR 15 HE1 TYR 15 -9.119 8.360 -4.920 124 HE2 TYR 15 HE2 TYR 15 -11.475 7.187 -8.315 125 HH TYR 15 HH TYR 15 -10.933 9.285 -7.849 126 H VAL 16 HN VAL 16 -6.626 2.425 -4.168 127 HA VAL 16 HA VAL 16 -7.928 -0.231 -3.911 128 HB VAL 16 HB VAL 16 -5.751 -1.373 -4.414 129 HG11 VAL 16 HG11 VAL 16 -7.650 -1.082 -6.069 130 HG12 VAL 16 HG12 VAL 16 -6.059 -1.336 -6.786 131 HG13 VAL 16 HG13 VAL 16 -6.754 0.287 -6.731 132 HG21 VAL 16 HG21 VAL 16 -4.203 0.456 -4.104 133 HG22 VAL 16 HG22 VAL 16 -5.022 1.423 -5.331 134 HG23 VAL 16 HG23 VAL 16 -4.128 -0.023 -5.800 135 H SER 17 HN SER 17 -6.911 -1.545 -2.205 136 HA SER 17 HA SER 17 -5.593 0.167 -0.119 137 HB2 SER 17 HB2 SER 17 -7.323 -2.287 0.290 138 HB3 SER 17 HB1 SER 17 -6.677 -1.230 1.543 139 HG SER 17 HG SER 17 -8.958 -0.983 0.354 140 H VAL 18 HN VAL 18 -3.670 -0.563 0.699 141 HA VAL 18 HA VAL 18 -2.829 -3.367 0.098 142 HB VAL 18 HB VAL 18 -0.549 -2.484 -0.489 143 HG11 VAL 18 HG11 VAL 18 -2.724 -1.415 -2.304 144 HG12 VAL 18 HG12 VAL 18 -2.333 -3.131 -2.176 145 HG13 VAL 18 HG13 VAL 18 -1.124 -1.991 -2.769 146 HG21 VAL 18 HG21 VAL 18 -1.029 -0.214 0.607 147 HG22 VAL 18 HG22 VAL 18 -1.961 0.170 -0.838 148 HG23 VAL 18 HG23 VAL 18 -0.235 -0.163 -0.965 149 H ILE 19 HN ILE 19 -0.992 -4.065 1.442 150 HA ILE 19 HA ILE 19 -0.578 -2.440 3.902 151 HB ILE 19 HB ILE 19 -2.387 -4.055 4.393 152 HG12 ILE 19 HG12 ILE 19 0.214 -4.920 5.685 153 HG13 ILE 19 HG11 ILE 19 -0.609 -3.412 6.086 154 HG21 ILE 19 HG21 ILE 19 -2.059 -6.414 4.206 155 HG22 ILE 19 HG22 ILE 19 -0.341 -6.217 3.856 156 HG23 ILE 19 HG23 ILE 19 -1.546 -5.730 2.664 157 HD11 ILE 19 HD11 ILE 19 -1.330 -5.040 7.698 158 HD12 ILE 19 HD12 ILE 19 -1.655 -6.231 6.438 159 HD13 ILE 19 HD13 ILE 19 -2.677 -4.801 6.584 160 H GLY 20 HN GLY 20 1.493 -2.539 4.679 161 HA2 GLY 20 HA2 GLY 20 3.253 -4.767 4.139 162 HA3 GLY 20 HA1 GLY 20 3.603 -3.417 3.060 163 H LYS 21 HN LYS 21 5.715 -3.477 4.257 164 HA LYS 21 HA LYS 21 5.580 -2.173 6.941 165 HB2 LYS 21 HB2 LYS 21 6.892 -4.295 6.713 166 HB3 LYS 21 HB1 LYS 21 7.946 -3.466 5.566 167 HG2 LYS 21 HG2 LYS 21 8.563 -1.823 7.267 168 HG3 LYS 21 HG1 LYS 21 7.446 -2.561 8.415 169 HD2 LYS 21 HD2 LYS 21 8.735 -4.670 8.310 170 HD3 LYS 21 HD1 LYS 21 9.859 -3.922 7.176 171 HE2 LYS 21 HE2 LYS 21 10.596 -3.932 9.620 172 HE3 LYS 21 HE1 LYS 21 10.627 -2.364 8.817 173 HZ1 LYS 21 HZ1 LYS 21 9.525 -2.572 11.122 174 HZ2 LYS 21 HZ2 LYS 21 8.216 -3.239 10.267 175 HZ3 LYS 21 HZ3 LYS 21 8.743 -1.662 9.922 176 H ILE 22 HN ILE 22 6.055 -0.059 7.066 177 HA ILE 22 HA ILE 22 6.934 1.376 4.670 178 HB ILE 22 HB ILE 22 6.441 2.440 7.461 179 HG12 ILE 22 HG12 ILE 22 4.428 1.307 6.718 180 HG13 ILE 22 HG11 ILE 22 4.179 3.042 6.545 181 HG21 ILE 22 HG21 ILE 22 6.072 4.565 6.271 182 HG22 ILE 22 HG22 ILE 22 6.435 3.768 4.742 183 HG23 ILE 22 HG23 ILE 22 7.689 3.939 5.961 184 HD11 ILE 22 HD11 ILE 22 5.047 2.670 4.099 185 HD12 ILE 22 HD12 ILE 22 3.395 2.215 4.493 186 HD13 ILE 22 HD13 ILE 22 4.648 0.981 4.401 187 H THR 23 HN THR 23 8.963 1.995 4.233 188 HA THR 23 HA THR 23 10.955 2.183 6.443 189 HB THR 23 HB THR 23 12.584 0.897 5.196 190 HG1 THR 23 HG1 THR 23 12.169 1.233 3.116 191 HG21 THR 23 HG21 THR 23 11.548 -1.306 5.274 192 HG22 THR 23 HG22 THR 23 9.941 -0.583 5.199 193 HG23 THR 23 HG23 THR 23 10.955 -0.338 6.623 194 H GLY 24 HN GLY 24 12.929 3.332 5.727 195 HA2 GLY 24 HA2 GLY 24 13.949 5.216 4.799 196 HA3 GLY 24 HA1 GLY 24 13.248 4.683 3.274 197 H ILE 25 HN ILE 25 12.810 6.776 6.057 198 HA ILE 25 HA ILE 25 10.375 7.981 4.822 199 HB ILE 25 HB ILE 25 11.651 8.538 7.512 200 HG12 ILE 25 HG12 ILE 25 10.925 6.224 7.446 201 HG13 ILE 25 HG11 ILE 25 9.758 7.144 8.389 202 HG21 ILE 25 HG21 ILE 25 9.017 9.304 6.234 203 HG22 ILE 25 HG22 ILE 25 10.268 10.380 6.859 204 HG23 ILE 25 HG23 ILE 25 9.302 9.410 7.971 205 HD11 ILE 25 HD11 ILE 25 9.468 5.987 5.629 206 HD12 ILE 25 HD12 ILE 25 8.498 7.387 6.086 207 HD13 ILE 25 HD13 ILE 25 8.363 5.893 6.998 208 H HIS 26 HN HIS 26 10.554 9.798 3.670 209 HA HIS 26 HA HIS 26 12.895 11.599 4.164 210 HB2 HIS 26 HB2 HIS 26 13.066 10.101 2.066 211 HB3 HIS 26 HB1 HIS 26 11.750 11.076 1.412 212 HD1 HIS 26 HD1 HIS 26 12.459 13.863 2.268 213 HD2 HIS 26 HD2 HIS 26 15.350 11.168 0.944 214 HE1 HIS 26 HE1 HIS 26 14.437 15.251 1.504 215 H LYS 27 HN LYS 27 12.317 13.697 4.383 216 HA LYS 27 HA LYS 27 9.454 14.405 3.963 217 HB2 LYS 27 HB2 LYS 27 10.498 14.835 6.180 218 HB3 LYS 27 HB1 LYS 27 11.657 15.911 5.400 219 HG2 LYS 27 HG2 LYS 27 9.844 17.362 4.632 220 HG3 LYS 27 HG1 LYS 27 8.647 16.266 5.321 221 HD2 LYS 27 HD2 LYS 27 9.593 16.659 7.574 222 HD3 LYS 27 HD1 LYS 27 10.768 17.776 6.878 223 HE2 LYS 27 HE2 LYS 27 8.934 19.208 6.061 224 HE3 LYS 27 HE1 LYS 27 7.756 18.088 6.744 225 HZ1 LYS 27 HZ1 LYS 27 9.832 19.511 8.314 226 HZ2 LYS 27 HZ2 LYS 27 8.598 18.520 8.929 227 HZ3 LYS 27 HZ3 LYS 27 8.214 20.001 8.191 228 H LYS 28 HN LYS 28 8.865 15.765 2.351 229 HA LYS 28 HA LYS 28 10.949 17.438 1.011 230 HB2 LYS 28 HB2 LYS 28 8.860 15.692 -0.318 231 HB3 LYS 28 HB1 LYS 28 9.846 16.878 -1.168 232 HG2 LYS 28 HG2 LYS 28 11.004 14.613 0.476 233 HG3 LYS 28 HG1 LYS 28 10.718 14.497 -1.258 234 HD2 LYS 28 HD2 LYS 28 12.142 16.691 -1.398 235 HD3 LYS 28 HD1 LYS 28 12.690 16.246 0.217 236 HE2 LYS 28 HE2 LYS 28 14.289 15.234 -1.156 237 HE3 LYS 28 HE1 LYS 28 13.165 13.909 -0.846 238 HZ1 LYS 28 HZ1 LYS 28 12.899 15.703 -3.184 239 HZ2 LYS 28 HZ2 LYS 28 12.164 14.192 -2.930 240 HZ3 LYS 28 HZ3 LYS 28 13.834 14.289 -3.233 241 H GLU 29 HN GLU 29 10.129 19.321 0.023 242 HA GLU 29 HA GLU 29 7.386 20.119 0.945 243 HB2 GLU 29 HB2 GLU 29 9.961 21.695 0.808 244 HB3 GLU 29 HB1 GLU 29 8.380 22.467 0.951 245 HG2 GLU 29 HG2 GLU 29 7.926 21.249 3.014 246 HG3 GLU 29 HG1 GLU 29 9.444 20.362 2.857 247 H TYR 30 HN TYR 30 6.060 21.082 -0.548 248 HA TYR 30 HA TYR 30 7.201 21.811 -3.200 249 HB2 TYR 30 HB2 TYR 30 5.536 20.510 -4.391 250 HB3 TYR 30 HB1 TYR 30 6.390 19.430 -3.291 251 HD1 TYR 30 HD1 TYR 30 5.330 19.088 -0.921 252 HD2 TYR 30 HD2 TYR 30 3.190 20.628 -4.315 253 HE1 TYR 30 HE1 TYR 30 3.179 18.474 0.152 254 HE2 TYR 30 HE2 TYR 30 1.043 20.011 -3.242 255 HH TYR 30 HH TYR 30 0.793 19.167 0.025 256 H GLU 31 HN GLU 31 5.647 23.123 -4.472 257 HA GLU 31 HA GLU 31 4.078 24.868 -2.672 258 HB2 GLU 31 HB2 GLU 31 5.648 25.816 -4.375 259 HB3 GLU 31 HB1 GLU 31 4.621 25.143 -5.639 260 HG2 GLU 31 HG2 GLU 31 3.980 27.448 -5.333 261 HG3 GLU 31 HG1 GLU 31 2.696 26.455 -4.649 262 H SER 32 HN SER 32 2.171 23.812 -2.219 263 HA SER 32 HA SER 32 0.649 22.426 -4.293 264 HB2 SER 32 HB2 SER 32 -0.712 21.693 -2.550 265 HB3 SER 32 HB1 SER 32 0.794 21.996 -1.685 266 HG SER 32 HG SER 32 -1.578 23.498 -1.773 267 H ASP 33 HN ASP 33 -1.970 23.246 -3.411 268 HA ASP 33 HA ASP 33 -2.657 25.229 -5.235 269 HB2 ASP 33 HB2 ASP 33 -3.940 24.502 -2.594 270 HB3 ASP 33 HB1 ASP 33 -4.669 25.637 -3.731 271 H GLY 34 HN GLY 34 -0.930 26.816 -5.056 272 HA2 GLY 34 HA2 GLY 34 -0.012 28.850 -4.346 273 HA3 GLY 34 HA1 GLY 34 -1.646 29.225 -3.803 274 H THR 35 HN THR 35 -0.412 26.411 -2.326 275 HA THR 35 HA THR 35 0.638 27.961 0.009 276 HB THR 35 HB THR 35 -1.393 25.718 0.192 277 HG1 THR 35 HG1 THR 35 -2.608 27.410 -0.228 278 HG21 THR 35 HG21 THR 35 0.038 25.608 2.095 279 HG22 THR 35 HG22 THR 35 -1.374 26.518 2.627 280 HG23 THR 35 HG23 THR 35 0.119 27.365 2.228 281 H THR 36 HN THR 36 2.434 27.089 0.878 282 HA THR 36 HA THR 36 3.647 24.778 -0.395 283 HB THR 36 HB THR 36 4.544 26.174 2.131 284 HG1 THR 36 HG1 THR 36 4.124 27.596 0.316 285 HG21 THR 36 HG21 THR 36 5.680 24.053 1.520 286 HG22 THR 36 HG22 THR 36 6.758 25.445 1.416 287 HG23 THR 36 HG23 THR 36 6.078 24.745 -0.053 288 H LYS 37 HN LYS 37 3.509 22.680 0.259 289 HA LYS 37 HA LYS 37 2.613 22.105 3.057 290 HB2 LYS 37 HB2 LYS 37 1.555 20.879 0.495 291 HB3 LYS 37 HB1 LYS 37 1.248 20.219 2.103 292 HG2 LYS 37 HG2 LYS 37 0.200 22.335 2.791 293 HG3 LYS 37 HG1 LYS 37 0.533 23.025 1.201 294 HD2 LYS 37 HD2 LYS 37 -0.853 21.248 0.160 295 HD3 LYS 37 HD1 LYS 37 -1.230 20.624 1.766 296 HE2 LYS 37 HE2 LYS 37 -1.861 23.423 0.788 297 HE3 LYS 37 HE1 LYS 37 -3.026 22.109 0.932 298 HZ1 LYS 37 HZ1 LYS 37 -1.574 23.522 3.082 299 HZ2 LYS 37 HZ2 LYS 37 -2.270 21.993 3.341 300 HZ3 LYS 37 HZ3 LYS 37 -3.246 23.310 2.898 301 H SER 38 HN SER 38 3.498 20.261 3.961 302 HA SER 38 HA SER 38 5.956 19.293 2.676 303 HB2 SER 38 HB2 SER 38 6.547 18.494 4.792 304 HB3 SER 38 HB1 SER 38 5.564 19.900 5.188 305 HG SER 38 HG SER 38 4.699 17.194 5.058 306 H VAL 39 HN VAL 39 6.354 17.115 2.144 307 HA VAL 39 HA VAL 39 4.053 15.225 2.274 308 HB VAL 39 HB VAL 39 4.087 16.326 0.026 309 HG11 VAL 39 HG11 VAL 39 5.908 16.099 -1.455 310 HG12 VAL 39 HG12 VAL 39 6.674 14.854 -0.467 311 HG13 VAL 39 HG13 VAL 39 6.660 16.532 0.080 312 HG21 VAL 39 HG21 VAL 39 4.787 13.381 0.172 313 HG22 VAL 39 HG22 VAL 39 4.134 14.169 -1.262 314 HG23 VAL 39 HG23 VAL 39 3.176 14.094 0.216 315 H TYR 40 HN TYR 40 4.684 13.163 2.743 316 HA TYR 40 HA TYR 40 7.609 12.710 3.147 317 HB2 TYR 40 HB2 TYR 40 5.153 11.364 4.298 318 HB3 TYR 40 HB1 TYR 40 6.803 10.807 4.585 319 HD1 TYR 40 HD1 TYR 40 4.413 13.584 5.123 320 HD2 TYR 40 HD2 TYR 40 8.311 12.020 6.017 321 HE1 TYR 40 HE1 TYR 40 4.680 15.275 6.917 322 HE2 TYR 40 HE2 TYR 40 8.579 13.709 7.811 323 HH TYR 40 HH TYR 40 6.717 16.412 8.081 324 H GLN 41 HN GLN 41 8.655 11.149 2.014 325 HA GLN 41 HA GLN 41 7.037 9.313 0.282 326 HB2 GLN 41 HB2 GLN 41 9.594 10.797 -0.357 327 HB3 GLN 41 HB1 GLN 41 8.959 9.476 -1.340 328 HG2 GLN 41 HG2 GLN 41 6.881 10.718 -1.715 329 HG3 GLN 41 HG1 GLN 41 7.453 12.022 -0.675 330 HE21 GLN 41 HE21 GLN 41 6.830 11.977 -3.673 331 HE22 GLN 41 HE22 GLN 41 8.239 12.581 -4.404 332 H GLY 42 HN GLY 42 8.030 7.246 -0.118 333 HA2 GLY 42 HA2 GLY 42 10.512 6.464 1.069 334 HA3 GLY 42 HA1 GLY 42 9.187 6.046 2.156 335 H TYR 43 HN TYR 43 10.043 3.815 1.631 336 HA TYR 43 HA TYR 43 8.701 2.752 -0.834 337 HB2 TYR 43 HB2 TYR 43 11.365 2.009 0.388 338 HB3 TYR 43 HB1 TYR 43 10.531 0.990 -0.787 339 HD1 TYR 43 HD2 TYR 43 10.179 1.746 -3.092 340 HD2 TYR 43 HD1 TYR 43 12.347 4.141 -0.261 341 HE1 TYR 43 HE2 TYR 43 11.058 3.135 -4.945 342 HE2 TYR 43 HE1 TYR 43 13.228 5.533 -2.116 343 HH TYR 43 HH TYR 43 12.022 5.242 -5.365 344 H ILE 44 HN ILE 44 7.504 0.903 -0.545 345 HA ILE 44 HA ILE 44 7.291 -0.140 2.263 346 HB ILE 44 HB ILE 44 5.243 1.015 1.366 347 HG12 ILE 44 HG12 ILE 44 4.834 -1.972 1.661 348 HG13 ILE 44 HG11 ILE 44 5.228 -0.925 3.025 349 HG21 ILE 44 HG21 ILE 44 5.712 0.202 -1.029 350 HG22 ILE 44 HG22 ILE 44 4.038 0.111 -0.483 351 HG23 ILE 44 HG23 ILE 44 5.034 -1.344 -0.519 352 HD11 ILE 44 HD11 ILE 44 2.816 -0.677 1.206 353 HD12 ILE 44 HD12 ILE 44 3.233 0.469 2.481 354 HD13 ILE 44 HD13 ILE 44 2.809 -1.193 2.892 355 H GLU 45 HN GLU 45 7.346 -2.371 2.528 356 HA GLU 45 HA GLU 45 7.808 -4.020 0.056 357 HB2 GLU 45 HB2 GLU 45 9.977 -3.592 1.103 358 HB3 GLU 45 HB1 GLU 45 9.354 -4.115 2.665 359 HG2 GLU 45 HG2 GLU 45 10.668 -5.908 1.593 360 HG3 GLU 45 HG1 GLU 45 8.987 -6.396 1.756 361 H ASP 46 HN ASP 46 7.075 -6.168 0.184 362 HA ASP 46 HA ASP 46 5.742 -7.048 2.685 363 HB2 ASP 46 HB2 ASP 46 4.095 -5.733 1.226 364 HB3 ASP 46 HB1 ASP 46 4.237 -7.048 0.059 365 H ASP 47 HN ASP 47 4.428 -9.276 1.616 366 HA ASP 47 HA ASP 47 6.649 -11.082 1.145 367 HB2 ASP 47 HB2 ASP 47 3.644 -11.440 1.094 368 HB3 ASP 47 HB1 ASP 47 4.781 -12.768 0.862 369 H THR 48 HN THR 48 4.612 -9.195 -0.884 370 HA THR 48 HA THR 48 5.048 -10.925 -3.255 371 HB THR 48 HB THR 48 3.697 -8.223 -3.119 372 HG1 THR 48 HG1 THR 48 1.809 -9.356 -2.790 373 HG21 THR 48 HG21 THR 48 2.679 -8.871 -5.177 374 HG22 THR 48 HG22 THR 48 3.255 -10.529 -5.024 375 HG23 THR 48 HG23 THR 48 4.394 -9.222 -5.350 376 H ALA 49 HN ALA 49 5.299 -7.382 -2.911 377 HA ALA 49 HA ALA 49 8.123 -7.445 -3.751 378 HB1 ALA 49 HB1 ALA 49 6.048 -6.047 -5.464 379 HB2 ALA 49 HB2 ALA 49 6.785 -7.595 -5.878 380 HB3 ALA 49 HB3 ALA 49 7.783 -6.145 -5.769 381 H ARG 50 HN ARG 50 8.140 -4.705 -4.625 382 HA ARG 50 HA ARG 50 7.139 -3.221 -2.242 383 HB2 ARG 50 HB2 ARG 50 9.310 -2.072 -2.031 384 HB3 ARG 50 HB1 ARG 50 9.482 -3.804 -1.780 385 HG2 ARG 50 HG2 ARG 50 10.202 -4.057 -4.145 386 HG3 ARG 50 HG1 ARG 50 10.085 -2.309 -4.352 387 HD2 ARG 50 HD2 ARG 50 11.762 -1.989 -2.561 388 HD3 ARG 50 HD1 ARG 50 11.890 -3.737 -2.382 389 HE ARG 50 HE ARG 50 13.105 -3.839 -4.426 390 HH11 ARG 50 HH21 ARG 50 11.786 -0.710 -3.794 391 HH12 ARG 50 HH22 ARG 50 12.715 0.072 -5.026 392 HH21 ARG 50 HH11 ARG 50 14.318 -2.830 -6.035 393 HH22 ARG 50 HH12 ARG 50 14.147 -1.126 -6.296 394 H ILE 51 HN ILE 51 6.988 -0.910 -2.580 395 HA ILE 51 HA ILE 51 7.382 0.070 -5.342 396 HB ILE 51 HB ILE 51 5.137 -0.972 -5.403 397 HG12 ILE 51 HG12 ILE 51 4.881 2.044 -5.383 398 HG13 ILE 51 HG11 ILE 51 5.748 1.173 -6.649 399 HG21 ILE 51 HG21 ILE 51 3.334 -0.098 -4.026 400 HG22 ILE 51 HG22 ILE 51 4.419 1.081 -3.291 401 HG23 ILE 51 HG23 ILE 51 4.641 -0.640 -2.974 402 HD11 ILE 51 HD11 ILE 51 3.786 0.016 -7.340 403 HD12 ILE 51 HD12 ILE 51 3.281 1.691 -7.116 404 HD13 ILE 51 HD13 ILE 51 2.907 0.484 -5.885 405 H ARG 52 HN ARG 52 7.071 2.419 -5.501 406 HA ARG 52 HA ARG 52 8.023 3.775 -3.110 407 HB2 ARG 52 HB2 ARG 52 8.765 4.413 -5.393 408 HB3 ARG 52 HB1 ARG 52 7.121 4.936 -5.760 409 HG2 ARG 52 HG2 ARG 52 7.225 6.598 -3.945 410 HG3 ARG 52 HG1 ARG 52 8.856 6.061 -3.538 411 HD2 ARG 52 HD2 ARG 52 8.057 7.171 -6.245 412 HD3 ARG 52 HD1 ARG 52 8.813 8.122 -4.967 413 HE ARG 52 HE ARG 52 10.431 5.836 -5.419 414 HH11 ARG 52 HH21 ARG 52 9.358 8.719 -6.985 415 HH12 ARG 52 HH22 ARG 52 10.779 8.868 -7.965 416 HH21 ARG 52 HH11 ARG 52 12.280 6.019 -6.690 417 HH22 ARG 52 HH12 ARG 52 12.432 7.340 -7.799 418 H ILE 53 HN ILE 53 6.894 5.261 -1.830 419 HA ILE 53 HA ILE 53 3.956 5.540 -2.352 420 HB ILE 53 HB ILE 53 3.572 5.298 0.065 421 HG12 ILE 53 HG12 ILE 53 6.501 4.506 0.205 422 HG13 ILE 53 HG11 ILE 53 5.878 6.053 0.769 423 HG21 ILE 53 HG21 ILE 53 5.121 3.022 -1.203 424 HG22 ILE 53 HG22 ILE 53 3.392 3.323 -1.373 425 HG23 ILE 53 HG23 ILE 53 4.057 2.864 0.194 426 HD11 ILE 53 HD11 ILE 53 4.233 4.629 2.192 427 HD12 ILE 53 HD12 ILE 53 5.908 4.751 2.716 428 HD13 ILE 53 HD13 ILE 53 5.355 3.307 1.873 429 H SER 54 HN SER 54 2.999 7.426 -1.390 430 HA SER 54 HA SER 54 4.864 9.513 -0.411 431 HB2 SER 54 HB2 SER 54 4.726 9.848 -2.855 432 HB3 SER 54 HB1 SER 54 2.970 9.903 -2.745 433 HG SER 54 HG SER 54 4.201 11.571 -0.973 434 H SER 55 HN SER 55 3.926 10.714 1.172 435 HA SER 55 HA SER 55 0.955 10.532 1.507 436 HB2 SER 55 HB2 SER 55 1.802 9.108 3.188 437 HB3 SER 55 HB1 SER 55 3.159 10.175 3.535 438 HG SER 55 HG SER 55 0.521 10.278 4.366 439 H PHE 56 HN PHE 56 -0.029 12.460 1.753 440 HA PHE 56 HA PHE 56 1.721 14.875 1.957 441 HB2 PHE 56 HB2 PHE 56 -1.084 14.416 0.945 442 HB3 PHE 56 HB1 PHE 56 -0.413 16.031 1.184 443 HD1 PHE 56 HD2 PHE 56 1.628 16.734 -0.079 444 HD2 PHE 56 HD1 PHE 56 -0.395 13.035 -0.894 445 HE1 PHE 56 HE2 PHE 56 2.808 16.570 -2.253 446 HE2 PHE 56 HE1 PHE 56 0.786 12.869 -3.069 447 HZ PHE 56 HZ PHE 56 2.387 14.637 -3.749 448 H GLY 57 HN GLY 57 1.802 15.946 3.842 449 HA2 GLY 57 HA2 GLY 57 1.047 16.980 5.821 450 HA3 GLY 57 HA1 GLY 57 -0.580 16.429 5.429 451 H LYS 58 HN LYS 58 -0.392 13.714 5.422 452 HA LYS 58 HA LYS 58 -0.330 13.093 8.204 453 HB2 LYS 58 HB2 LYS 58 -0.344 11.321 5.758 454 HB3 LYS 58 HB1 LYS 58 -0.513 10.706 7.402 455 HG2 LYS 58 HG2 LYS 58 -2.484 12.170 7.732 456 HG3 LYS 58 HG1 LYS 58 -2.315 12.756 6.077 457 HD2 LYS 58 HD2 LYS 58 -2.651 10.473 5.220 458 HD3 LYS 58 HD1 LYS 58 -2.803 9.871 6.872 459 HE2 LYS 58 HE2 LYS 58 -4.770 11.316 7.225 460 HE3 LYS 58 HE1 LYS 58 -4.622 11.923 5.575 461 HZ1 LYS 58 HZ1 LYS 58 -5.401 10.008 4.699 462 HZ2 LYS 58 HZ2 LYS 58 -6.161 9.877 6.213 463 HZ3 LYS 58 HZ3 LYS 58 -4.720 9.031 5.907 464 H GLN 59 HN GLN 59 1.229 12.294 9.507 465 HA GLN 59 HA GLN 59 3.988 12.293 8.516 466 HB2 GLN 59 HB2 GLN 59 3.394 13.334 10.680 467 HB3 GLN 59 HB1 GLN 59 2.879 11.762 11.288 468 HG2 GLN 59 HG2 GLN 59 5.149 12.245 12.059 469 HG3 GLN 59 HG1 GLN 59 5.193 10.899 10.926 470 HE21 GLN 59 HE21 GLN 59 7.216 11.207 9.927 471 HE22 GLN 59 HE22 GLN 59 7.668 12.629 9.122 472 H LEU 60 HN LEU 60 5.412 10.522 8.627 473 HA LEU 60 HA LEU 60 4.193 7.823 9.067 474 HB2 LEU 60 HB2 LEU 60 6.047 8.671 6.825 475 HB3 LEU 60 HB1 LEU 60 5.564 7.008 7.152 476 HG LEU 60 HG LEU 60 3.656 9.280 6.517 477 HD11 LEU 60 HD11 LEU 60 3.363 7.878 4.381 478 HD12 LEU 60 HD12 LEU 60 4.871 7.087 4.828 479 HD13 LEU 60 HD13 LEU 60 4.844 8.823 4.516 480 HD21 LEU 60 HD21 LEU 60 2.174 7.117 6.082 481 HD22 LEU 60 HD22 LEU 60 2.345 7.752 7.712 482 HD23 LEU 60 HD23 LEU 60 3.307 6.363 7.202 483 H GLN 61 HN GLN 61 5.760 6.186 9.668 484 HA GLN 61 HA GLN 61 8.299 7.324 10.799 485 HB2 GLN 61 HB2 GLN 61 6.544 5.171 12.010 486 HB3 GLN 61 HB1 GLN 61 8.030 5.820 12.702 487 HG2 GLN 61 HG2 GLN 61 6.354 7.047 13.816 488 HG3 GLN 61 HG1 GLN 61 6.847 8.138 12.520 489 HE21 GLN 61 HE21 GLN 61 4.870 9.178 12.038 490 HE22 GLN 61 HE22 GLN 61 3.460 8.357 11.566 491 H ASP 62 HN ASP 62 10.099 5.983 10.744 492 HA ASP 62 HA ASP 62 10.276 4.209 8.511 493 HB2 ASP 62 HB2 ASP 62 12.573 3.801 9.296 494 HB3 ASP 62 HB1 ASP 62 12.182 5.520 9.316 495 H SER 63 HN SER 63 10.510 2.008 8.400 496 HA SER 63 HA SER 63 9.873 -0.174 8.896 497 HB2 SER 63 HB2 SER 63 10.822 -0.937 11.189 498 HB3 SER 63 HB1 SER 63 11.953 -0.382 9.963 499 HG SER 63 HG SER 63 10.824 1.282 11.965 500 H ASP 64 HN ASP 64 7.591 0.364 8.913 501 HA ASP 64 HA ASP 64 6.385 -0.288 11.527 502 HB2 ASP 64 HB2 ASP 64 6.557 2.222 11.464 503 HB3 ASP 64 HB1 ASP 64 5.496 2.207 10.053 504 H VAL 65 HN VAL 65 4.841 -1.757 11.173 505 HA VAL 65 HA VAL 65 3.904 -2.312 8.466 506 HB VAL 65 HB VAL 65 2.920 -3.524 11.051 507 HG11 VAL 65 HG11 VAL 65 3.204 -4.756 8.302 508 HG12 VAL 65 HG12 VAL 65 1.725 -3.957 8.835 509 HG13 VAL 65 HG13 VAL 65 2.308 -5.390 9.682 510 HG21 VAL 65 HG21 VAL 65 5.394 -4.105 9.407 511 HG22 VAL 65 HG22 VAL 65 4.699 -5.283 10.520 512 HG23 VAL 65 HG23 VAL 65 5.303 -3.745 11.132 513 H VAL 66 HN VAL 66 2.323 -1.105 7.580 514 HA VAL 66 HA VAL 66 -0.064 -0.454 9.255 515 HB VAL 66 HB VAL 66 -0.114 1.836 8.557 516 HG11 VAL 66 HG11 VAL 66 1.915 2.713 9.535 517 HG12 VAL 66 HG12 VAL 66 2.785 1.221 9.183 518 HG13 VAL 66 HG13 VAL 66 1.500 1.229 10.391 519 HG21 VAL 66 HG21 VAL 66 0.550 1.750 6.277 520 HG22 VAL 66 HG22 VAL 66 2.091 0.985 6.670 521 HG23 VAL 66 HG23 VAL 66 1.823 2.684 7.066 522 H ARG 67 HN ARG 67 -1.934 0.181 7.907 523 HA ARG 67 HA ARG 67 -1.831 -1.033 5.174 524 HB2 ARG 67 HB2 ARG 67 -3.064 -2.492 6.727 525 HB3 ARG 67 HB1 ARG 67 -4.109 -1.141 7.169 526 HG2 ARG 67 HG2 ARG 67 -4.953 -0.978 4.898 527 HG3 ARG 67 HG1 ARG 67 -3.802 -2.190 4.340 528 HD2 ARG 67 HD2 ARG 67 -5.980 -3.238 4.648 529 HD3 ARG 67 HD1 ARG 67 -4.870 -3.847 5.876 530 HE ARG 67 HE ARG 67 -6.276 -1.562 6.890 531 HH11 ARG 67 HH21 ARG 67 -6.654 -4.879 6.027 532 HH12 ARG 67 HH22 ARG 67 -7.936 -5.162 7.155 533 HH21 ARG 67 HH11 ARG 67 -7.946 -1.915 8.364 534 HH22 ARG 67 HH12 ARG 67 -8.668 -3.485 8.479 535 H ILE 68 HN ILE 68 -2.572 0.249 3.573 536 HA ILE 68 HA ILE 68 -3.802 2.867 4.344 537 HB ILE 68 HB ILE 68 -2.400 2.057 1.778 538 HG12 ILE 68 HG12 ILE 68 -1.432 3.881 3.999 539 HG13 ILE 68 HG11 ILE 68 -0.962 2.185 3.866 540 HG21 ILE 68 HG21 ILE 68 -3.348 4.747 2.822 541 HG22 ILE 68 HG22 ILE 68 -4.079 3.852 1.492 542 HG23 ILE 68 HG23 ILE 68 -2.446 4.492 1.329 543 HD11 ILE 68 HD11 ILE 68 -0.469 4.356 1.807 544 HD12 ILE 68 HD12 ILE 68 -0.093 2.648 1.571 545 HD13 ILE 68 HD13 ILE 68 0.746 3.574 2.817 546 H ASP 69 HN ASP 69 -5.882 3.196 3.796 547 HA ASP 69 HA ASP 69 -7.197 1.280 1.906 548 HB2 ASP 69 HB2 ASP 69 -8.044 1.295 4.246 549 HB3 ASP 69 HB1 ASP 69 -8.429 3.006 4.073 550 H ASN 70 HN ASN 70 -8.398 2.095 0.213 551 HA ASN 70 HA ASN 70 -9.052 3.618 -1.426 552 HB2 ASN 70 HB2 ASN 70 -10.307 4.525 0.625 553 HB3 ASN 70 HB1 ASN 70 -9.024 5.729 0.736 554 HD21 ASN 70 HD21 ASN 70 -10.268 7.566 0.066 555 HD22 ASN 70 HD22 ASN 70 -10.940 7.700 -1.488 556 H ALA 71 HN ALA 71 -6.297 3.108 -1.090 557 HA ALA 71 HA ALA 71 -4.743 5.536 -1.060 558 HB1 ALA 71 HB1 ALA 71 -3.992 3.057 -0.694 559 HB2 ALA 71 HB2 ALA 71 -2.896 4.165 -1.517 560 HB3 ALA 71 HB3 ALA 71 -3.852 3.014 -2.450 561 H ARG 72 HN ARG 72 -3.810 6.639 -2.845 562 HA ARG 72 HA ARG 72 -5.353 6.354 -5.378 563 HB2 ARG 72 HB2 ARG 72 -5.260 8.560 -4.117 564 HB3 ARG 72 HB1 ARG 72 -3.557 8.642 -4.565 565 HG2 ARG 72 HG2 ARG 72 -4.151 8.507 -6.940 566 HG3 ARG 72 HG1 ARG 72 -5.858 8.359 -6.519 567 HD2 ARG 72 HD2 ARG 72 -5.379 10.672 -7.127 568 HD3 ARG 72 HD1 ARG 72 -5.740 10.586 -5.406 569 HE ARG 72 HE ARG 72 -3.471 11.111 -4.927 570 HH11 ARG 72 HH21 ARG 72 -4.018 10.488 -8.280 571 HH12 ARG 72 HH22 ARG 72 -2.480 11.107 -8.776 572 HH21 ARG 72 HH11 ARG 72 -1.471 11.921 -5.564 573 HH22 ARG 72 HH12 ARG 72 -1.037 11.918 -7.241 574 H VAL 73 HN VAL 73 -4.362 5.524 -7.126 575 HA VAL 73 HA VAL 73 -1.445 5.004 -7.021 576 HB VAL 73 HB VAL 73 -3.607 4.131 -8.954 577 HG11 VAL 73 HG11 VAL 73 -0.631 3.591 -8.880 578 HG12 VAL 73 HG12 VAL 73 -1.579 4.241 -10.218 579 HG13 VAL 73 HG13 VAL 73 -1.765 2.552 -9.744 580 HG21 VAL 73 HG21 VAL 73 -3.516 3.180 -6.577 581 HG22 VAL 73 HG22 VAL 73 -1.966 2.471 -7.034 582 HG23 VAL 73 HG23 VAL 73 -3.436 2.003 -7.889 583 H ALA 74 HN ALA 74 0.010 6.140 -8.236 584 HA ALA 74 HA ALA 74 -0.969 7.791 -10.512 585 HB1 ALA 74 HB1 ALA 74 0.636 8.830 -8.155 586 HB2 ALA 74 HB2 ALA 74 -0.986 9.334 -8.629 587 HB3 ALA 74 HB3 ALA 74 0.391 9.718 -9.661 588 H GLN 75 HN GLN 75 0.767 8.393 -11.965 589 HA GLN 75 HA GLN 75 3.172 6.621 -11.708 590 HB2 GLN 75 HB2 GLN 75 1.702 6.068 -13.605 591 HB3 GLN 75 HB1 GLN 75 1.842 7.725 -14.192 592 HG2 GLN 75 HG2 GLN 75 4.225 7.472 -14.535 593 HG3 GLN 75 HG1 GLN 75 4.210 5.884 -13.767 594 HE21 GLN 75 HE21 GLN 75 4.599 4.431 -15.450 595 HE22 GLN 75 HE22 GLN 75 3.747 4.403 -16.918 596 H PHE 76 HN PHE 76 4.983 7.701 -11.252 597 HA PHE 76 HA PHE 76 5.334 10.476 -12.339 598 HB2 PHE 76 HB2 PHE 76 6.033 9.355 -9.619 599 HB3 PHE 76 HB1 PHE 76 6.768 10.829 -10.250 600 HD1 PHE 76 HD2 PHE 76 5.161 12.677 -11.109 601 HD2 PHE 76 HD1 PHE 76 3.932 9.457 -8.545 602 HE1 PHE 76 HE2 PHE 76 3.169 13.985 -10.423 603 HE2 PHE 76 HE1 PHE 76 1.937 10.765 -7.860 604 HZ PHE 76 HZ PHE 76 1.558 13.029 -8.798 605 H ASN 77 HN ASN 77 7.181 10.797 -13.433 606 HA ASN 77 HA ASN 77 9.178 10.325 -14.531 607 HB2 ASN 77 HB2 ASN 77 9.708 9.033 -11.839 608 HB3 ASN 77 HB1 ASN 77 10.931 9.165 -13.104 609 HD21 ASN 77 HD21 ASN 77 11.281 10.534 -10.627 610 HD22 ASN 77 HD22 ASN 77 11.154 12.203 -10.906 611 H GLY 78 HN GLY 78 6.913 8.472 -14.842 612 HA2 GLY 78 HA2 GLY 78 6.592 6.538 -16.142 613 HA3 GLY 78 HA1 GLY 78 8.341 6.360 -16.230 614 H TYR 79 HN TYR 79 7.493 6.714 -13.012 615 HA TYR 79 HA TYR 79 7.459 3.738 -12.610 616 HB2 TYR 79 HB2 TYR 79 8.573 5.938 -10.851 617 HB3 TYR 79 HB1 TYR 79 8.486 4.235 -10.397 618 HD1 TYR 79 HD2 TYR 79 9.714 2.516 -11.799 619 HD2 TYR 79 HD1 TYR 79 10.306 6.745 -12.276 620 HE1 TYR 79 HE2 TYR 79 11.843 2.083 -12.993 621 HE2 TYR 79 HE1 TYR 79 12.437 6.310 -13.470 622 HH TYR 79 HH TYR 79 13.745 4.744 -14.386 623 H LEU 80 HN LEU 80 5.837 2.888 -11.407 624 HA LEU 80 HA LEU 80 3.553 4.565 -10.769 625 HB2 LEU 80 HB2 LEU 80 4.086 1.645 -10.180 626 HB3 LEU 80 HB1 LEU 80 2.523 2.447 -10.032 627 HG LEU 80 HG LEU 80 4.134 2.217 -12.593 628 HD11 LEU 80 HD11 LEU 80 2.217 0.715 -13.273 629 HD12 LEU 80 HD12 LEU 80 1.685 0.737 -11.593 630 HD13 LEU 80 HD13 LEU 80 3.254 0.049 -12.012 631 HD21 LEU 80 HD21 LEU 80 1.730 2.921 -13.478 632 HD22 LEU 80 HD22 LEU 80 2.857 4.147 -12.917 633 HD23 LEU 80 HD23 LEU 80 1.557 3.595 -11.859 634 H SER 81 HN SER 81 2.722 5.060 -8.737 635 HA SER 81 HA SER 81 4.178 4.192 -6.328 636 HB2 SER 81 HB2 SER 81 4.686 6.456 -5.585 637 HB3 SER 81 HB1 SER 81 5.430 6.197 -7.159 638 HG SER 81 HG SER 81 4.063 8.191 -6.703 639 H LEU 82 HN LEU 82 3.009 4.870 -4.360 640 HA LEU 82 HA LEU 82 0.083 5.236 -4.896 641 HB2 LEU 82 HB2 LEU 82 1.477 4.149 -2.435 642 HB3 LEU 82 HB1 LEU 82 -0.260 4.154 -2.741 643 HG LEU 82 HG LEU 82 1.810 2.705 -4.420 644 HD11 LEU 82 HD11 LEU 82 1.579 1.571 -2.313 645 HD12 LEU 82 HD12 LEU 82 0.621 0.669 -3.487 646 HD13 LEU 82 HD13 LEU 82 -0.176 1.748 -2.343 647 HD21 LEU 82 HD21 LEU 82 -0.427 1.610 -5.263 648 HD22 LEU 82 HD22 LEU 82 0.047 3.178 -5.904 649 HD23 LEU 82 HD23 LEU 82 -1.178 3.078 -4.637 650 H SER 83 HN SER 83 -0.797 7.126 -4.306 651 HA SER 83 HA SER 83 0.741 8.915 -2.462 652 HB2 SER 83 HB2 SER 83 0.396 9.921 -4.632 653 HB3 SER 83 HB1 SER 83 -1.315 9.498 -4.611 654 HG SER 83 HG SER 83 -0.731 10.835 -2.384 655 H VAL 84 HN VAL 84 -0.140 9.349 -0.521 656 HA VAL 84 HA VAL 84 -2.913 8.392 0.026 657 HB VAL 84 HB VAL 84 -0.885 9.274 2.082 658 HG11 VAL 84 HG11 VAL 84 -3.217 7.343 2.103 659 HG12 VAL 84 HG12 VAL 84 -3.177 8.940 2.853 660 HG13 VAL 84 HG13 VAL 84 -2.147 7.649 3.467 661 HG21 VAL 84 HG21 VAL 84 -1.140 6.587 0.703 662 HG22 VAL 84 HG22 VAL 84 -0.279 6.823 2.224 663 HG23 VAL 84 HG23 VAL 84 0.285 7.625 0.758 664 H GLY 85 HN GLY 85 -4.384 9.965 -0.201 665 HA2 GLY 85 HA2 GLY 85 -3.659 12.794 0.306 666 HA3 GLY 85 HA1 GLY 85 -5.130 12.222 -0.474 667 H ASP 86 HN ASP 86 -5.770 13.999 1.257 668 HA ASP 86 HA ASP 86 -5.973 13.167 4.016 669 HB2 ASP 86 HB2 ASP 86 -7.432 15.243 2.370 670 HB3 ASP 86 HB1 ASP 86 -7.719 15.013 4.095 671 H SER 87 HN SER 87 -7.705 12.346 1.161 672 HA SER 87 HA SER 87 -10.177 11.590 2.569 673 HB2 SER 87 HB2 SER 87 -9.221 11.146 -0.273 674 HB3 SER 87 HB1 SER 87 -10.815 10.690 0.318 675 HG SER 87 HG SER 87 -9.682 13.239 -0.058 676 H SER 88 HN SER 88 -7.115 10.206 2.012 677 HA SER 88 HA SER 88 -8.064 7.419 2.009 678 HB2 SER 88 HB2 SER 88 -5.346 8.718 1.940 679 HB3 SER 88 HB1 SER 88 -5.524 6.986 2.206 680 HG SER 88 HG SER 88 -6.758 8.366 0.061 681 H ARG 89 HN ARG 89 -7.206 5.887 3.685 682 HA ARG 89 HA ARG 89 -6.930 7.219 6.369 683 HB2 ARG 89 HB2 ARG 89 -8.508 4.728 5.669 684 HB3 ARG 89 HB1 ARG 89 -8.273 5.354 7.300 685 HG2 ARG 89 HG2 ARG 89 -9.441 7.119 5.147 686 HG3 ARG 89 HG1 ARG 89 -10.465 5.976 6.010 687 HD2 ARG 89 HD2 ARG 89 -8.784 8.159 7.290 688 HD3 ARG 89 HD1 ARG 89 -10.531 8.174 7.106 689 HE ARG 89 HE ARG 89 -9.010 6.594 9.061 690 HH11 ARG 89 HH21 ARG 89 -11.946 7.078 7.312 691 HH12 ARG 89 HH22 ARG 89 -12.926 6.243 8.469 692 HH21 ARG 89 HH11 ARG 89 -10.273 5.503 10.573 693 HH22 ARG 89 HH12 ARG 89 -11.979 5.350 10.317 694 H ILE 90 HN ILE 90 -5.464 6.321 7.754 695 HA ILE 90 HA ILE 90 -3.836 4.024 6.717 696 HB ILE 90 HB ILE 90 -2.996 6.416 8.380 697 HG12 ILE 90 HG12 ILE 90 -2.093 5.506 5.629 698 HG13 ILE 90 HG11 ILE 90 -3.319 6.745 5.895 699 HG21 ILE 90 HG21 ILE 90 -0.694 5.360 8.059 700 HG22 ILE 90 HG22 ILE 90 -1.536 3.898 7.550 701 HG23 ILE 90 HG23 ILE 90 -1.764 4.526 9.182 702 HD11 ILE 90 HD11 ILE 90 -1.280 7.943 5.608 703 HD12 ILE 90 HD12 ILE 90 -0.392 6.830 6.646 704 HD13 ILE 90 HD13 ILE 90 -1.567 7.942 7.346 705 H GLU 91 HN GLU 91 -3.776 2.274 8.030 706 HA GLU 91 HA GLU 91 -4.588 2.601 10.900 707 HB2 GLU 91 HB2 GLU 91 -5.332 0.421 8.931 708 HB3 GLU 91 HB1 GLU 91 -5.594 0.299 10.674 709 HG2 GLU 91 HG2 GLU 91 -6.989 2.312 10.635 710 HG3 GLU 91 HG1 GLU 91 -6.682 2.513 8.910 711 H SER 92 HN SER 92 -2.980 2.044 12.216 712 HA SER 92 HA SER 92 -0.625 0.643 11.234 713 HB2 SER 92 HB2 SER 92 0.350 1.198 13.295 714 HB3 SER 92 HB1 SER 92 -0.792 2.515 13.039 715 HG SER 92 HG SER 92 -0.905 1.535 15.147 716 H VAL 93 HN VAL 93 0.186 -1.368 12.164 717 HA VAL 93 HA VAL 93 -1.975 -3.139 13.269 718 HB VAL 93 HB VAL 93 0.207 -3.743 11.258 719 HG11 VAL 93 HG11 VAL 93 -0.863 -6.092 11.372 720 HG12 VAL 93 HG12 VAL 93 -1.518 -5.581 12.928 721 HG13 VAL 93 HG13 VAL 93 0.228 -5.642 12.682 722 HG21 VAL 93 HG21 VAL 93 -1.781 -2.813 10.252 723 HG22 VAL 93 HG22 VAL 93 -2.825 -3.851 11.224 724 HG23 VAL 93 HG23 VAL 93 -1.815 -4.552 9.961 725 H ASN 94 HN ASN 94 -1.490 -4.080 15.161 726 HA ASN 94 HA ASN 94 1.199 -3.658 16.318 727 HB2 ASN 94 HB2 ASN 94 -1.436 -4.638 17.441 728 HB3 ASN 94 HB1 ASN 94 0.056 -4.595 18.386 729 HD21 ASN 94 HD21 ASN 94 -2.244 -2.964 19.049 730 HD22 ASN 94 HD22 ASN 94 -1.811 -1.338 18.819 731 H VAL 95 HN VAL 95 2.598 -5.195 15.538 732 HA VAL 95 HA VAL 95 1.743 -8.066 15.570 733 HB VAL 95 HB VAL 95 2.604 -7.200 13.412 734 HG11 VAL 95 HG11 VAL 95 4.100 -5.473 14.527 735 HG12 VAL 95 HG12 VAL 95 4.849 -6.366 13.204 736 HG13 VAL 95 HG13 VAL 95 5.225 -6.786 14.875 737 HG21 VAL 95 HG21 VAL 95 4.213 -8.962 13.027 738 HG22 VAL 95 HG22 VAL 95 3.033 -9.566 14.189 739 HG23 VAL 95 HG23 VAL 95 4.620 -9.032 14.741 740 H ASN 96 HN ASN 96 3.826 -5.711 17.007 741 HA ASN 96 HA ASN 96 5.574 -5.883 18.570 742 HB2 ASN 96 HB2 ASN 96 3.365 -6.527 19.768 743 HB3 ASN 96 HB1 ASN 96 3.964 -8.185 19.693 744 HD21 ASN 96 HD21 ASN 96 4.204 -8.214 22.078 745 HD22 ASN 96 HD22 ASN 96 5.487 -7.389 22.824 746 H ILE 97 HN ILE 97 6.669 -7.991 19.960 747 HA ILE 97 HA ILE 97 8.245 -9.300 17.895 748 HB ILE 97 HB ILE 97 8.272 -9.197 20.894 749 HG12 ILE 97 HG12 ILE 97 10.593 -8.527 20.518 750 HG13 ILE 97 HG11 ILE 97 10.401 -8.814 18.787 751 HG21 ILE 97 HG21 ILE 97 10.240 -10.853 20.780 752 HG22 ILE 97 HG22 ILE 97 9.593 -11.333 19.208 753 HG23 ILE 97 HG23 ILE 97 8.625 -11.545 20.664 754 HD11 ILE 97 HD11 ILE 97 8.820 -7.048 18.566 755 HD12 ILE 97 HD12 ILE 97 10.108 -6.390 19.575 756 HD13 ILE 97 HD13 ILE 97 8.598 -6.928 20.311 757 HA PRO 98 HA PRO 98 6.131 -13.305 19.629 758 HB2 PRO 98 HB2 PRO 98 3.809 -12.975 21.074 759 HB3 PRO 98 HB1 PRO 98 5.419 -13.065 21.817 760 HG2 PRO 98 HG2 PRO 98 3.808 -10.642 21.113 761 HG3 PRO 98 HG1 PRO 98 4.684 -11.012 22.616 762 HD2 PRO 98 HD2 PRO 98 5.764 -9.400 20.789 763 HD3 PRO 98 HD1 PRO 98 6.764 -10.564 21.672 764 H LEU 99 HN LEU 99 4.612 -14.504 18.418 765 HA LEU 99 HA LEU 99 3.184 -12.981 16.356 766 HB2 LEU 99 HB2 LEU 99 3.302 -15.974 16.849 767 HB3 LEU 99 HB1 LEU 99 2.725 -15.183 15.380 768 HG LEU 99 HG LEU 99 5.544 -15.000 16.493 769 HD11 LEU 99 HD11 LEU 99 6.128 -16.289 14.437 770 HD12 LEU 99 HD12 LEU 99 4.407 -16.466 14.092 771 HD13 LEU 99 HD13 LEU 99 5.097 -17.200 15.540 772 HD21 LEU 99 HD21 LEU 99 4.128 -13.675 14.180 773 HD22 LEU 99 HD22 LEU 99 5.855 -14.016 14.065 774 HD23 LEU 99 HD23 LEU 99 5.252 -12.972 15.346 775 H GLU 100 HN GLU 100 1.057 -12.470 16.427 776 HA GLU 100 HA GLU 100 -0.570 -13.482 18.692 777 HB2 GLU 100 HB2 GLU 100 -0.994 -11.255 16.679 778 HB3 GLU 100 HB1 GLU 100 -2.188 -11.707 17.899 779 HG2 GLU 100 HG2 GLU 100 -0.569 -11.259 19.686 780 HG3 GLU 100 HG1 GLU 100 0.667 -10.872 18.491 781 H HIS 101 HN HIS 101 -1.975 -15.122 18.385 782 HA HIS 101 HA HIS 101 -2.424 -16.188 15.708 783 HB2 HIS 101 HB2 HIS 101 -3.487 -16.987 18.430 784 HB3 HIS 101 HB1 HIS 101 -3.801 -17.884 16.942 785 HD1 HIS 101 HD1 HIS 101 -1.058 -17.027 19.364 786 HD2 HIS 101 HD2 HIS 101 -1.561 -19.305 15.909 787 HE1 HIS 101 HE1 HIS 101 1.027 -18.446 19.132 788 H HIS 102 HN HIS 102 -4.193 -15.908 14.443 789 HA HIS 102 HA HIS 102 -6.269 -14.006 15.364 790 HB2 HIS 102 HB2 HIS 102 -5.279 -13.559 13.205 791 HB3 HIS 102 HB1 HIS 102 -5.608 -15.202 12.661 792 HD1 HIS 102 HD1 HIS 102 -7.546 -12.151 13.875 793 HD2 HIS 102 HD2 HIS 102 -8.047 -15.460 11.391 794 HE1 HIS 102 HE1 HIS 102 -9.816 -11.889 12.783 795 H HIS 103 HN HIS 103 -7.928 -14.941 16.430 796 HA HIS 103 HA HIS 103 -9.582 -16.931 15.107 797 HB2 HIS 103 HB2 HIS 103 -9.455 -18.553 17.058 798 HB3 HIS 103 HB1 HIS 103 -8.027 -18.526 16.025 799 HD1 HIS 103 HD1 HIS 103 -6.631 -16.002 17.108 800 HD2 HIS 103 HD2 HIS 103 -8.309 -18.929 19.557 801 HE1 HIS 103 HE1 HIS 103 -5.462 -15.819 19.349 802 H HIS 104 HN HIS 104 -8.808 -15.592 18.330 803 HA HIS 104 HA HIS 104 -11.672 -15.345 18.969 804 HB2 HIS 104 HB2 HIS 104 -9.134 -14.619 20.455 805 HB3 HIS 104 HB1 HIS 104 -10.747 -14.296 21.091 806 HD1 HIS 104 HD1 HIS 104 -12.295 -16.758 20.536 807 HD2 HIS 104 HD2 HIS 104 -8.294 -16.945 21.686 808 HE1 HIS 104 HE1 HIS 104 -11.929 -19.079 21.479 809 H HIS 105 HN HIS 105 -9.253 -13.473 17.450 810 HA HIS 105 HA HIS 105 -10.319 -10.864 18.206 811 HB2 HIS 105 HB2 HIS 105 -8.360 -11.745 16.077 812 HB3 HIS 105 HB1 HIS 105 -8.796 -10.060 16.357 813 HD1 HIS 105 HD1 HIS 105 -6.966 -12.949 17.922 814 HD2 HIS 105 HD2 HIS 105 -7.745 -8.938 18.748 815 HE1 HIS 105 HE1 HIS 105 -5.460 -12.310 19.856 816 H HIS 106 HN HIS 106 -11.853 -9.689 17.126 817 HA HIS 106 HA HIS 106 -12.549 -10.063 14.364 818 HB2 HIS 106 HB2 HIS 106 -13.536 -12.163 15.372 819 HB3 HIS 106 HB1 HIS 106 -14.579 -11.132 16.351 820 HD1 HIS 106 HD1 HIS 106 -16.414 -9.752 15.105 821 HD2 HIS 106 HD2 HIS 106 -14.239 -12.305 12.630 822 HE1 HIS 106 HE1 HIS 106 -17.679 -9.875 12.914 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 -8.583 1.162 -1.095 2 H2 SER 1 HT2 SER 1 -8.996 1.642 -2.672 3 H3 SER 1 HT3 SER 1 -8.185 0.173 -2.414 4 HA SER 1 HA SER 1 -10.784 0.599 -1.121 5 HB2 SER 1 HB2 SER 1 -11.389 1.205 -3.333 6 HB3 SER 1 HB1 SER 1 -10.279 0.036 -4.045 7 HG SER 1 HG SER 1 -12.523 -0.620 -4.028 8 H ASP 2 HN ASP 2 -10.553 -1.922 -3.360 9 HA ASP 2 HA ASP 2 -10.607 -3.957 -1.343 10 HB2 ASP 2 HB2 ASP 2 -11.597 -4.146 -3.637 11 HB3 ASP 2 HB1 ASP 2 -9.962 -4.275 -4.286 12 H LEU 3 HN LEU 3 -9.003 -5.494 -0.781 13 HA LEU 3 HA LEU 3 -6.294 -4.493 -0.737 14 HB2 LEU 3 HB2 LEU 3 -7.177 -5.849 1.096 15 HB3 LEU 3 HB1 LEU 3 -7.457 -7.196 -0.006 16 HG LEU 3 HG LEU 3 -5.047 -7.396 -0.420 17 HD11 LEU 3 HD11 LEU 3 -4.962 -4.887 1.249 18 HD12 LEU 3 HD12 LEU 3 -4.141 -5.240 -0.273 19 HD13 LEU 3 HD13 LEU 3 -3.573 -5.974 1.223 20 HD21 LEU 3 HD21 LEU 3 -6.179 -8.479 1.586 21 HD22 LEU 3 HD22 LEU 3 -5.507 -7.173 2.563 22 HD23 LEU 3 HD23 LEU 3 -4.431 -8.285 1.718 23 H VAL 4 HN VAL 4 -4.725 -4.807 -2.254 24 HA VAL 4 HA VAL 4 -4.921 -7.176 -4.059 25 HB VAL 4 HB VAL 4 -4.358 -5.736 -6.002 26 HG11 VAL 4 HG11 VAL 4 -6.738 -6.374 -5.296 27 HG12 VAL 4 HG12 VAL 4 -6.591 -4.983 -6.371 28 HG13 VAL 4 HG13 VAL 4 -6.870 -4.739 -4.646 29 HG21 VAL 4 HG21 VAL 4 -4.824 -3.255 -5.677 30 HG22 VAL 4 HG22 VAL 4 -3.334 -3.843 -4.941 31 HG23 VAL 4 HG23 VAL 4 -4.757 -3.552 -3.940 32 H LYS 5 HN LYS 5 -2.892 -7.559 -5.240 33 HA LYS 5 HA LYS 5 -0.613 -7.317 -3.457 34 HB2 LYS 5 HB2 LYS 5 -0.910 -8.420 -6.263 35 HB3 LYS 5 HB1 LYS 5 0.568 -8.540 -5.306 36 HG2 LYS 5 HG2 LYS 5 -0.687 -9.738 -3.536 37 HG3 LYS 5 HG1 LYS 5 -2.147 -9.642 -4.522 38 HD2 LYS 5 HD2 LYS 5 -1.050 -10.935 -6.300 39 HD3 LYS 5 HD1 LYS 5 0.429 -11.017 -5.342 40 HE2 LYS 5 HE2 LYS 5 -0.801 -12.217 -3.560 41 HE3 LYS 5 HE1 LYS 5 -2.267 -12.156 -4.539 42 HZ1 LYS 5 HZ1 LYS 5 -0.293 -13.165 -6.181 43 HZ2 LYS 5 HZ2 LYS 5 -1.589 -14.021 -5.492 44 HZ3 LYS 5 HZ3 LYS 5 -0.089 -13.962 -4.698 45 H ILE 6 HN ILE 6 1.415 -6.296 -4.001 46 HA ILE 6 HA ILE 6 1.195 -3.658 -5.082 47 HB ILE 6 HB ILE 6 3.614 -5.402 -4.549 48 HG12 ILE 6 HG12 ILE 6 2.510 -3.044 -2.994 49 HG13 ILE 6 HG11 ILE 6 2.122 -4.722 -2.615 50 HG21 ILE 6 HG21 ILE 6 3.363 -2.511 -5.396 51 HG22 ILE 6 HG22 ILE 6 4.368 -3.775 -6.107 52 HG23 ILE 6 HG23 ILE 6 4.782 -3.104 -4.532 53 HD11 ILE 6 HD11 ILE 6 4.562 -5.193 -2.369 54 HD12 ILE 6 HD12 ILE 6 3.982 -3.996 -1.210 55 HD13 ILE 6 HD13 ILE 6 4.888 -3.479 -2.632 56 H ARG 7 HN ARG 7 2.501 -6.679 -6.452 57 HA ARG 7 HA ARG 7 3.413 -5.543 -8.909 58 HB2 ARG 7 HB2 ARG 7 2.551 -8.346 -8.163 59 HB3 ARG 7 HB1 ARG 7 3.223 -7.937 -9.743 60 HG2 ARG 7 HG2 ARG 7 5.274 -7.104 -8.684 61 HG3 ARG 7 HG1 ARG 7 4.597 -7.423 -7.087 62 HD2 ARG 7 HD2 ARG 7 6.099 -9.251 -7.729 63 HD3 ARG 7 HD1 ARG 7 4.438 -9.834 -7.655 64 HE ARG 7 HE ARG 7 4.448 -10.091 -10.023 65 HH11 ARG 7 HH21 ARG 7 7.269 -8.482 -8.830 66 HH12 ARG 7 HH22 ARG 7 8.121 -8.598 -10.331 67 HH21 ARG 7 HH11 ARG 7 5.554 -10.242 -11.977 68 HH22 ARG 7 HH12 ARG 7 7.152 -9.589 -12.110 69 H ASP 8 HN ASP 8 0.236 -6.323 -7.774 70 HA ASP 8 HA ASP 8 -0.935 -6.394 -10.484 71 HB2 ASP 8 HB2 ASP 8 -2.138 -6.515 -7.704 72 HB3 ASP 8 HB1 ASP 8 -3.094 -6.574 -9.186 73 H VAL 9 HN VAL 9 0.205 -3.959 -8.574 74 HA VAL 9 HA VAL 9 -1.965 -2.074 -8.625 75 HB VAL 9 HB VAL 9 1.033 -1.691 -8.434 76 HG11 VAL 9 HG11 VAL 9 -1.248 0.290 -8.222 77 HG12 VAL 9 HG12 VAL 9 0.177 0.389 -9.257 78 HG13 VAL 9 HG13 VAL 9 0.339 0.591 -7.513 79 HG21 VAL 9 HG21 VAL 9 -0.365 -2.905 -6.611 80 HG22 VAL 9 HG22 VAL 9 -1.050 -1.315 -6.279 81 HG23 VAL 9 HG23 VAL 9 0.685 -1.583 -6.098 82 H SER 10 HN SER 10 -2.684 -0.786 -10.245 83 HA SER 10 HA SER 10 -0.962 -0.060 -12.499 84 HB2 SER 10 HB2 SER 10 -2.596 -1.020 -14.179 85 HB3 SER 10 HB1 SER 10 -1.649 -2.223 -13.308 86 HG SER 10 HG SER 10 -3.432 -2.481 -11.904 87 H LEU 11 HN LEU 11 -2.204 1.368 -14.044 88 HA LEU 11 HA LEU 11 -3.671 3.376 -12.611 89 HB2 LEU 11 HB2 LEU 11 -3.450 2.860 -15.594 90 HB3 LEU 11 HB1 LEU 11 -4.024 4.358 -14.862 91 HG LEU 11 HG LEU 11 -1.269 3.158 -14.426 92 HD11 LEU 11 HD11 LEU 11 -1.472 3.947 -16.714 93 HD12 LEU 11 HD12 LEU 11 -0.506 5.107 -15.803 94 HD13 LEU 11 HD13 LEU 11 -2.194 5.461 -16.170 95 HD21 LEU 11 HD21 LEU 11 -0.939 5.656 -13.617 96 HD22 LEU 11 HD22 LEU 11 -1.639 4.469 -12.527 97 HD23 LEU 11 HD23 LEU 11 -2.686 5.603 -13.379 98 H SER 12 HN SER 12 -4.619 0.435 -14.167 99 HA SER 12 HA SER 12 -7.334 1.080 -14.801 100 HB2 SER 12 HB2 SER 12 -6.165 -0.970 -15.589 101 HB3 SER 12 HB1 SER 12 -6.176 -1.587 -13.939 102 HG SER 12 HG SER 12 -8.563 -0.727 -15.163 103 H THR 13 HN THR 13 -5.731 0.676 -11.795 104 HA THR 13 HA THR 13 -8.364 0.460 -10.359 105 HB THR 13 HB THR 13 -7.230 -0.682 -8.580 106 HG1 THR 13 HG1 THR 13 -4.812 -1.072 -9.409 107 HG21 THR 13 HG21 THR 13 -7.802 -1.997 -10.649 108 HG22 THR 13 HG22 THR 13 -6.495 -2.696 -9.692 109 HG23 THR 13 HG23 THR 13 -6.128 -1.800 -11.167 110 HA PRO 14 HA PRO 14 -6.652 4.755 -9.703 111 HB2 PRO 14 HB2 PRO 14 -9.526 5.020 -8.868 112 HB3 PRO 14 HB1 PRO 14 -8.539 6.106 -9.869 113 HG2 PRO 14 HG2 PRO 14 -10.368 4.519 -10.964 114 HG3 PRO 14 HG1 PRO 14 -8.815 4.816 -11.769 115 HD2 PRO 14 HD2 PRO 14 -9.735 2.374 -10.291 116 HD3 PRO 14 HD1 PRO 14 -8.671 2.501 -11.708 117 H TYR 15 HN TYR 15 -8.847 2.882 -7.601 118 HA TYR 15 HA TYR 15 -7.340 3.927 -5.223 119 HB2 TYR 15 HB2 TYR 15 -10.260 3.155 -5.440 120 HB3 TYR 15 HB1 TYR 15 -9.439 3.594 -3.943 121 HD1 TYR 15 HD1 TYR 15 -8.041 5.863 -4.074 122 HD2 TYR 15 HD2 TYR 15 -11.356 4.866 -6.620 123 HE1 TYR 15 HE1 TYR 15 -8.390 8.270 -4.563 124 HE2 TYR 15 HE2 TYR 15 -11.706 7.273 -7.106 125 HH TYR 15 HH TYR 15 -9.455 9.733 -5.927 126 H VAL 16 HN VAL 16 -6.307 2.384 -4.075 127 HA VAL 16 HA VAL 16 -7.403 -0.376 -4.028 128 HB VAL 16 HB VAL 16 -5.094 -1.287 -4.457 129 HG11 VAL 16 HG11 VAL 16 -6.239 0.361 -6.728 130 HG12 VAL 16 HG12 VAL 16 -6.919 -1.172 -6.181 131 HG13 VAL 16 HG13 VAL 16 -5.296 -1.122 -6.868 132 HG21 VAL 16 HG21 VAL 16 -3.505 0.213 -5.628 133 HG22 VAL 16 HG22 VAL 16 -3.832 0.775 -3.988 134 HG23 VAL 16 HG23 VAL 16 -4.602 1.569 -5.363 135 H SER 17 HN SER 17 -6.374 -1.690 -2.325 136 HA SER 17 HA SER 17 -5.299 0.011 -0.091 137 HB2 SER 17 HB2 SER 17 -7.486 -0.811 0.498 138 HB3 SER 17 HB1 SER 17 -7.086 -2.433 -0.050 139 HG SER 17 HG SER 17 -5.732 -1.051 2.028 140 H VAL 18 HN VAL 18 -3.388 -0.653 0.827 141 HA VAL 18 HA VAL 18 -2.331 -3.365 0.127 142 HB VAL 18 HB VAL 18 -0.088 -2.335 -0.226 143 HG11 VAL 18 HG11 VAL 18 -1.600 -2.866 -2.124 144 HG12 VAL 18 HG12 VAL 18 -0.571 -1.476 -2.467 145 HG13 VAL 18 HG13 VAL 18 -2.263 -1.234 -2.028 146 HG21 VAL 18 HG21 VAL 18 -0.297 -0.268 0.984 147 HG22 VAL 18 HG22 VAL 18 -1.706 0.213 0.040 148 HG23 VAL 18 HG23 VAL 18 -0.114 0.162 -0.716 149 H ILE 19 HN ILE 19 -0.550 -4.026 1.590 150 HA ILE 19 HA ILE 19 -0.442 -2.543 4.166 151 HB ILE 19 HB ILE 19 -2.241 -4.232 4.400 152 HG12 ILE 19 HG12 ILE 19 0.240 -5.085 5.909 153 HG13 ILE 19 HG11 ILE 19 -0.641 -3.602 6.272 154 HG21 ILE 19 HG21 ILE 19 -0.049 -6.261 3.890 155 HG22 ILE 19 HG22 ILE 19 -1.291 -5.828 2.714 156 HG23 ILE 19 HG23 ILE 19 -1.745 -6.598 4.235 157 HD11 ILE 19 HD11 ILE 19 -2.047 -6.271 6.160 158 HD12 ILE 19 HD12 ILE 19 -2.584 -4.779 6.931 159 HD13 ILE 19 HD13 ILE 19 -1.260 -5.706 7.633 160 H GLY 20 HN GLY 20 1.513 -2.793 5.257 161 HA2 GLY 20 HA2 GLY 20 3.387 -4.847 5.000 162 HA3 GLY 20 HA1 GLY 20 3.741 -3.753 3.662 163 H LYS 21 HN LYS 21 5.825 -3.403 4.812 164 HA LYS 21 HA LYS 21 5.560 -1.551 7.158 165 HB2 LYS 21 HB2 LYS 21 7.792 -2.197 7.783 166 HB3 LYS 21 HB1 LYS 21 6.853 -3.667 7.528 167 HG2 LYS 21 HG2 LYS 21 7.767 -3.702 5.157 168 HG3 LYS 21 HG1 LYS 21 8.874 -2.420 5.648 169 HD2 LYS 21 HD2 LYS 21 8.651 -5.098 7.057 170 HD3 LYS 21 HD1 LYS 21 9.862 -4.730 5.829 171 HE2 LYS 21 HE2 LYS 21 10.519 -2.728 7.297 172 HE3 LYS 21 HE1 LYS 21 9.541 -3.474 8.562 173 HZ1 LYS 21 HZ1 LYS 21 11.986 -4.050 8.521 174 HZ2 LYS 21 HZ2 LYS 21 11.651 -4.973 7.135 175 HZ3 LYS 21 HZ3 LYS 21 10.901 -5.350 8.611 176 H ILE 22 HN ILE 22 6.403 0.464 7.035 177 HA ILE 22 HA ILE 22 7.352 1.343 4.348 178 HB ILE 22 HB ILE 22 6.407 2.890 6.779 179 HG12 ILE 22 HG12 ILE 22 5.149 2.528 4.044 180 HG13 ILE 22 HG11 ILE 22 4.715 1.564 5.453 181 HG21 ILE 22 HG21 ILE 22 6.409 4.813 5.104 182 HG22 ILE 22 HG22 ILE 22 7.383 3.783 4.055 183 HG23 ILE 22 HG23 ILE 22 8.002 4.269 5.632 184 HD11 ILE 22 HD11 ILE 22 4.133 3.664 6.666 185 HD12 ILE 22 HD12 ILE 22 3.143 3.412 5.229 186 HD13 ILE 22 HD13 ILE 22 4.470 4.574 5.193 187 H THR 23 HN THR 23 9.454 1.927 4.012 188 HA THR 23 HA THR 23 11.194 2.474 6.393 189 HB THR 23 HB THR 23 12.966 1.125 5.431 190 HG1 THR 23 HG1 THR 23 12.594 1.388 3.271 191 HG21 THR 23 HG21 THR 23 10.409 -0.487 5.280 192 HG22 THR 23 HG22 THR 23 11.147 0.020 6.801 193 HG23 THR 23 HG23 THR 23 12.017 -1.064 5.717 194 H GLY 24 HN GLY 24 13.066 3.772 5.897 195 HA2 GLY 24 HA2 GLY 24 14.237 5.469 4.781 196 HA3 GLY 24 HA1 GLY 24 13.525 4.885 3.277 197 H ILE 25 HN ILE 25 12.645 6.738 6.215 198 HA ILE 25 HA ILE 25 10.399 8.005 4.828 199 HB ILE 25 HB ILE 25 11.678 8.803 7.457 200 HG12 ILE 25 HG12 ILE 25 11.104 6.454 7.597 201 HG13 ILE 25 HG11 ILE 25 9.874 7.366 8.465 202 HG21 ILE 25 HG21 ILE 25 9.368 9.641 7.926 203 HG22 ILE 25 HG22 ILE 25 8.924 9.240 6.267 204 HG23 ILE 25 HG23 ILE 25 10.143 10.475 6.579 205 HD11 ILE 25 HD11 ILE 25 8.596 7.343 6.174 206 HD12 ILE 25 HD12 ILE 25 8.582 5.901 7.183 207 HD13 ILE 25 HD13 ILE 25 9.668 5.994 5.799 208 H HIS 26 HN HIS 26 10.515 9.819 3.628 209 HA HIS 26 HA HIS 26 12.929 11.584 3.889 210 HB2 HIS 26 HB2 HIS 26 12.984 10.097 1.847 211 HB3 HIS 26 HB1 HIS 26 11.508 10.895 1.302 212 HD1 HIS 26 HD1 HIS 26 11.738 13.177 0.232 213 HD2 HIS 26 HD2 HIS 26 15.272 11.912 2.045 214 HE1 HIS 26 HE1 HIS 26 13.520 14.852 -0.427 215 H LYS 27 HN LYS 27 12.415 13.697 4.146 216 HA LYS 27 HA LYS 27 9.549 14.489 3.822 217 HB2 LYS 27 HB2 LYS 27 10.553 14.776 6.064 218 HB3 LYS 27 HB1 LYS 27 11.788 15.824 5.367 219 HG2 LYS 27 HG2 LYS 27 10.079 17.413 4.636 220 HG3 LYS 27 HG1 LYS 27 8.805 16.349 5.230 221 HD2 LYS 27 HD2 LYS 27 9.700 16.565 7.522 222 HD3 LYS 27 HD1 LYS 27 10.960 17.645 6.923 223 HE2 LYS 27 HE2 LYS 27 9.252 19.234 6.148 224 HE3 LYS 27 HE1 LYS 27 7.977 18.151 6.712 225 HZ1 LYS 27 HZ1 LYS 27 9.979 19.611 8.329 226 HZ2 LYS 27 HZ2 LYS 27 9.077 18.315 8.956 227 HZ3 LYS 27 HZ3 LYS 27 8.288 19.717 8.410 228 H LYS 28 HN LYS 28 8.995 16.057 2.388 229 HA LYS 28 HA LYS 28 11.074 17.818 1.232 230 HB2 LYS 28 HB2 LYS 28 11.028 15.779 -0.217 231 HB3 LYS 28 HB1 LYS 28 9.310 16.061 -0.504 232 HG2 LYS 28 HG2 LYS 28 9.782 18.215 -1.527 233 HG3 LYS 28 HG1 LYS 28 11.494 18.070 -1.130 234 HD2 LYS 28 HD2 LYS 28 11.637 16.059 -2.569 235 HD3 LYS 28 HD1 LYS 28 9.933 16.248 -2.985 236 HE2 LYS 28 HE2 LYS 28 12.024 18.389 -3.458 237 HE3 LYS 28 HE1 LYS 28 11.515 17.229 -4.685 238 HZ1 LYS 28 HZ1 LYS 28 9.849 19.273 -3.330 239 HZ2 LYS 28 HZ2 LYS 28 9.198 18.023 -4.277 240 HZ3 LYS 28 HZ3 LYS 28 10.229 19.176 -4.980 241 H GLU 29 HN GLU 29 10.106 19.630 0.079 242 HA GLU 29 HA GLU 29 7.265 20.138 0.890 243 HB2 GLU 29 HB2 GLU 29 9.604 22.008 0.479 244 HB3 GLU 29 HB1 GLU 29 7.940 22.562 0.693 245 HG2 GLU 29 HG2 GLU 29 7.816 21.426 2.862 246 HG3 GLU 29 HG1 GLU 29 9.452 20.804 2.648 247 H TYR 30 HN TYR 30 5.838 20.987 -0.659 248 HA TYR 30 HA TYR 30 6.886 21.406 -3.413 249 HB2 TYR 30 HB2 TYR 30 5.255 19.904 -4.394 250 HB3 TYR 30 HB1 TYR 30 6.203 19.006 -3.212 251 HD1 TYR 30 HD2 TYR 30 5.219 18.980 -0.747 252 HD2 TYR 30 HD1 TYR 30 2.916 19.790 -4.285 253 HE1 TYR 30 HE2 TYR 30 3.141 18.368 0.462 254 HE2 TYR 30 HE1 TYR 30 0.842 19.171 -3.076 255 HH TYR 30 HH TYR 30 0.105 17.976 -1.188 256 H GLU 31 HN GLU 31 5.317 22.500 -4.792 257 HA GLU 31 HA GLU 31 3.769 24.465 -3.263 258 HB2 GLU 31 HB2 GLU 31 5.127 25.116 -5.235 259 HB3 GLU 31 HB1 GLU 31 4.091 24.120 -6.258 260 HG2 GLU 31 HG2 GLU 31 2.142 25.482 -5.658 261 HG3 GLU 31 HG1 GLU 31 3.133 26.451 -4.569 262 H SER 32 HN SER 32 1.564 24.521 -3.075 263 HA SER 32 HA SER 32 -0.108 22.816 -4.826 264 HB2 SER 32 HB2 SER 32 0.581 21.466 -2.783 265 HB3 SER 32 HB1 SER 32 -0.320 22.624 -1.811 266 HG SER 32 HG SER 32 -1.715 20.986 -2.321 267 H ASP 33 HN ASP 33 -1.663 24.156 -5.506 268 HA ASP 33 HA ASP 33 -3.220 25.889 -5.573 269 HB2 ASP 33 HB2 ASP 33 -3.381 25.111 -2.650 270 HB3 ASP 33 HB1 ASP 33 -4.458 26.294 -3.394 271 H GLY 34 HN GLY 34 -0.402 26.572 -5.171 272 HA2 GLY 34 HA2 GLY 34 0.706 28.650 -5.015 273 HA3 GLY 34 HA1 GLY 34 -0.804 29.369 -4.460 274 H THR 35 HN THR 35 0.061 26.569 -2.694 275 HA THR 35 HA THR 35 1.330 28.244 -0.545 276 HB THR 35 HB THR 35 -0.026 27.282 1.107 277 HG1 THR 35 HG1 THR 35 -1.355 25.485 -0.496 278 HG21 THR 35 HG21 THR 35 -1.265 28.850 -0.375 279 HG22 THR 35 HG22 THR 35 -2.321 27.644 0.361 280 HG23 THR 35 HG23 THR 35 -1.826 27.473 -1.323 281 H THR 36 HN THR 36 2.671 27.027 0.934 282 HA THR 36 HA THR 36 4.081 24.810 -0.446 283 HB THR 36 HB THR 36 4.769 26.443 2.013 284 HG1 THR 36 HG1 THR 36 5.737 26.423 -0.651 285 HG21 THR 36 HG21 THR 36 7.064 25.387 1.567 286 HG22 THR 36 HG22 THR 36 6.204 24.209 0.575 287 HG23 THR 36 HG23 THR 36 5.843 24.346 2.297 288 H LYS 37 HN LYS 37 3.673 22.745 0.126 289 HA LYS 37 HA LYS 37 2.684 22.174 2.901 290 HB2 LYS 37 HB2 LYS 37 1.806 20.901 0.290 291 HB3 LYS 37 HB1 LYS 37 1.295 20.374 1.892 292 HG2 LYS 37 HG2 LYS 37 0.897 23.230 0.993 293 HG3 LYS 37 HG1 LYS 37 -0.273 21.979 0.583 294 HD2 LYS 37 HD2 LYS 37 -0.479 21.437 3.021 295 HD3 LYS 37 HD1 LYS 37 0.580 22.796 3.381 296 HE2 LYS 37 HE2 LYS 37 -2.002 23.054 1.828 297 HE3 LYS 37 HE1 LYS 37 -1.859 23.353 3.560 298 HZ1 LYS 37 HZ1 LYS 37 -0.450 25.154 3.211 299 HZ2 LYS 37 HZ2 LYS 37 -1.633 25.332 2.004 300 HZ3 LYS 37 HZ3 LYS 37 -0.102 24.709 1.611 301 H SER 38 HN SER 38 3.588 20.412 3.885 302 HA SER 38 HA SER 38 6.049 19.375 2.673 303 HB2 SER 38 HB2 SER 38 4.733 19.114 5.367 304 HB3 SER 38 HB1 SER 38 6.123 18.122 4.930 305 HG SER 38 HG SER 38 7.202 19.822 5.549 306 H VAL 39 HN VAL 39 6.421 17.193 2.152 307 HA VAL 39 HA VAL 39 4.066 15.354 2.259 308 HB VAL 39 HB VAL 39 4.372 16.435 -0.034 309 HG11 VAL 39 HG11 VAL 39 6.215 15.817 -1.392 310 HG12 VAL 39 HG12 VAL 39 6.731 14.561 -0.266 311 HG13 VAL 39 HG13 VAL 39 6.936 16.261 0.154 312 HG21 VAL 39 HG21 VAL 39 3.987 14.321 -1.197 313 HG22 VAL 39 HG22 VAL 39 3.192 14.274 0.375 314 HG23 VAL 39 HG23 VAL 39 4.717 13.426 0.135 315 H TYR 40 HN TYR 40 4.587 13.291 2.830 316 HA TYR 40 HA TYR 40 7.463 12.742 3.430 317 HB2 TYR 40 HB2 TYR 40 4.899 11.458 4.421 318 HB3 TYR 40 HB1 TYR 40 6.522 10.930 4.873 319 HD1 TYR 40 HD1 TYR 40 4.033 13.644 5.152 320 HD2 TYR 40 HD2 TYR 40 7.924 12.266 6.337 321 HE1 TYR 40 HE1 TYR 40 4.123 15.401 6.900 322 HE2 TYR 40 HE2 TYR 40 8.014 14.022 8.085 323 HH TYR 40 HH TYR 40 5.829 15.414 9.404 324 H GLN 41 HN GLN 41 8.518 11.192 2.276 325 HA GLN 41 HA GLN 41 6.904 9.344 0.547 326 HB2 GLN 41 HB2 GLN 41 9.440 10.857 -0.112 327 HB3 GLN 41 HB1 GLN 41 8.812 9.530 -1.090 328 HG2 GLN 41 HG2 GLN 41 6.697 10.757 -1.402 329 HG3 GLN 41 HG1 GLN 41 7.321 12.084 -0.424 330 HE21 GLN 41 HE21 GLN 41 6.754 13.108 -2.746 331 HE22 GLN 41 HE22 GLN 41 8.066 13.192 -3.820 332 H GLY 42 HN GLY 42 7.897 7.291 0.133 333 HA2 GLY 42 HA2 GLY 42 10.416 6.528 1.263 334 HA3 GLY 42 HA1 GLY 42 9.129 6.107 2.394 335 H TYR 43 HN TYR 43 9.973 3.871 1.867 336 HA TYR 43 HA TYR 43 8.702 2.802 -0.639 337 HB2 TYR 43 HB2 TYR 43 11.134 1.826 0.889 338 HB3 TYR 43 HB1 TYR 43 10.405 0.989 -0.484 339 HD1 TYR 43 HD1 TYR 43 12.124 4.102 0.584 340 HD2 TYR 43 HD2 TYR 43 10.737 1.750 -2.731 341 HE1 TYR 43 HE1 TYR 43 13.400 5.547 -0.975 342 HE2 TYR 43 HE2 TYR 43 12.014 3.193 -4.291 343 HH TYR 43 HH TYR 43 14.182 5.718 -3.097 344 H ILE 44 HN ILE 44 7.312 1.080 -0.392 345 HA ILE 44 HA ILE 44 6.937 -0.010 2.385 346 HB ILE 44 HB ILE 44 5.085 1.519 1.622 347 HG12 ILE 44 HG12 ILE 44 4.240 -1.382 1.842 348 HG13 ILE 44 HG11 ILE 44 4.786 -0.419 3.217 349 HG21 ILE 44 HG21 ILE 44 5.311 0.803 -0.813 350 HG22 ILE 44 HG22 ILE 44 3.661 0.881 -0.194 351 HG23 ILE 44 HG23 ILE 44 4.465 -0.678 -0.364 352 HD11 ILE 44 HD11 ILE 44 2.989 1.203 2.822 353 HD12 ILE 44 HD12 ILE 44 2.317 -0.414 3.032 354 HD13 ILE 44 HD13 ILE 44 2.450 0.283 1.418 355 H GLU 45 HN GLU 45 7.030 -2.231 2.500 356 HA GLU 45 HA GLU 45 6.825 -3.759 -0.085 357 HB2 GLU 45 HB2 GLU 45 8.728 -5.146 0.633 358 HB3 GLU 45 HB1 GLU 45 9.200 -3.455 0.469 359 HG2 GLU 45 HG2 GLU 45 8.888 -3.157 2.919 360 HG3 GLU 45 HG1 GLU 45 8.504 -4.873 3.059 361 H ASP 46 HN ASP 46 6.261 -5.986 0.131 362 HA ASP 46 HA ASP 46 5.239 -6.876 2.777 363 HB2 ASP 46 HB2 ASP 46 3.069 -7.510 1.833 364 HB3 ASP 46 HB1 ASP 46 3.326 -5.781 1.601 365 H ASP 47 HN ASP 47 3.791 -9.050 1.227 366 HA ASP 47 HA ASP 47 6.134 -10.827 0.929 367 HB2 ASP 47 HB2 ASP 47 4.373 -12.596 0.670 368 HB3 ASP 47 HB1 ASP 47 4.234 -11.688 2.176 369 H THR 48 HN THR 48 4.518 -8.725 -1.044 370 HA THR 48 HA THR 48 4.702 -10.434 -3.487 371 HB THR 48 HB THR 48 3.367 -8.748 -4.564 372 HG1 THR 48 HG1 THR 48 3.017 -7.073 -2.480 373 HG21 THR 48 HG21 THR 48 2.154 -10.259 -3.013 374 HG22 THR 48 HG22 THR 48 1.387 -8.675 -3.123 375 HG23 THR 48 HG23 THR 48 2.374 -9.080 -1.721 376 H ALA 49 HN ALA 49 5.347 -6.970 -2.850 377 HA ALA 49 HA ALA 49 8.145 -7.228 -3.630 378 HB1 ALA 49 HB1 ALA 49 6.310 -5.683 -5.483 379 HB2 ALA 49 HB2 ALA 49 6.897 -7.310 -5.829 380 HB3 ALA 49 HB3 ALA 49 8.039 -5.973 -5.687 381 H ARG 50 HN ARG 50 8.137 -4.413 -4.649 382 HA ARG 50 HA ARG 50 7.299 -2.923 -2.203 383 HB2 ARG 50 HB2 ARG 50 9.474 -1.782 -2.124 384 HB3 ARG 50 HB1 ARG 50 9.683 -3.521 -1.930 385 HG2 ARG 50 HG2 ARG 50 10.208 -3.699 -4.360 386 HG3 ARG 50 HG1 ARG 50 10.087 -1.944 -4.492 387 HD2 ARG 50 HD2 ARG 50 11.996 -3.374 -2.621 388 HD3 ARG 50 HD1 ARG 50 12.445 -2.754 -4.210 389 HE ARG 50 HE ARG 50 11.250 -0.623 -2.769 390 HH11 ARG 50 HH21 ARG 50 14.013 -2.693 -2.693 391 HH12 ARG 50 HH22 ARG 50 15.023 -1.531 -1.898 392 HH21 ARG 50 HH11 ARG 50 12.556 0.899 -1.730 393 HH22 ARG 50 HH12 ARG 50 14.199 0.498 -1.351 394 H ILE 51 HN ILE 51 6.991 -0.639 -2.565 395 HA ILE 51 HA ILE 51 7.275 0.364 -5.323 396 HB ILE 51 HB ILE 51 5.084 -0.792 -5.346 397 HG12 ILE 51 HG12 ILE 51 4.733 2.210 -5.310 398 HG13 ILE 51 HG11 ILE 51 5.571 1.360 -6.609 399 HG21 ILE 51 HG21 ILE 51 4.210 1.259 -3.303 400 HG22 ILE 51 HG22 ILE 51 4.699 -0.373 -2.852 401 HG23 ILE 51 HG23 ILE 51 3.303 -0.130 -3.901 402 HD11 ILE 51 HD11 ILE 51 3.602 0.132 -7.196 403 HD12 ILE 51 HD12 ILE 51 3.097 1.812 -7.019 404 HD13 ILE 51 HD13 ILE 51 2.763 0.650 -5.734 405 H ARG 52 HN ARG 52 6.997 2.672 -5.453 406 HA ARG 52 HA ARG 52 7.839 4.034 -3.031 407 HB2 ARG 52 HB2 ARG 52 7.216 4.918 -5.849 408 HB3 ARG 52 HB1 ARG 52 7.573 6.091 -4.587 409 HG2 ARG 52 HG2 ARG 52 9.649 5.608 -5.703 410 HG3 ARG 52 HG1 ARG 52 9.717 4.827 -4.127 411 HD2 ARG 52 HD2 ARG 52 10.503 3.403 -6.086 412 HD3 ARG 52 HD1 ARG 52 9.257 2.668 -5.083 413 HE ARG 52 HE ARG 52 8.092 4.138 -7.283 414 HH11 ARG 52 HH21 ARG 52 9.746 1.236 -6.412 415 HH12 ARG 52 HH22 ARG 52 9.005 0.290 -7.661 416 HH21 ARG 52 HH11 ARG 52 7.116 2.922 -8.897 417 HH22 ARG 52 HH12 ARG 52 7.514 1.245 -9.068 418 H ILE 53 HN ILE 53 6.691 5.484 -1.779 419 HA ILE 53 HA ILE 53 3.788 5.873 -2.400 420 HB ILE 53 HB ILE 53 3.298 5.561 0.009 421 HG12 ILE 53 HG12 ILE 53 6.148 4.536 0.217 422 HG13 ILE 53 HG11 ILE 53 5.657 6.132 0.772 423 HG21 ILE 53 HG21 ILE 53 4.790 3.130 -0.988 424 HG22 ILE 53 HG22 ILE 53 3.299 3.670 -1.760 425 HG23 ILE 53 HG23 ILE 53 3.289 3.196 -0.063 426 HD11 ILE 53 HD11 ILE 53 5.689 4.205 2.502 427 HD12 ILE 53 HD12 ILE 53 4.204 3.669 1.723 428 HD13 ILE 53 HD13 ILE 53 4.281 5.263 2.469 429 H SER 54 HN SER 54 2.898 7.813 -1.506 430 HA SER 54 HA SER 54 4.807 9.740 -0.295 431 HB2 SER 54 HB2 SER 54 4.217 11.476 -1.918 432 HB3 SER 54 HB1 SER 54 4.908 10.090 -2.756 433 HG SER 54 HG SER 54 2.129 10.302 -2.335 434 H SER 55 HN SER 55 3.801 10.564 1.448 435 HA SER 55 HA SER 55 0.806 10.729 1.430 436 HB2 SER 55 HB2 SER 55 0.793 10.100 3.656 437 HB3 SER 55 HB1 SER 55 2.244 9.256 3.132 438 HG SER 55 HG SER 55 2.985 10.384 4.797 439 H PHE 56 HN PHE 56 -0.143 12.676 1.891 440 HA PHE 56 HA PHE 56 1.680 15.024 1.992 441 HB2 PHE 56 HB2 PHE 56 -1.279 14.731 1.451 442 HB3 PHE 56 HB1 PHE 56 -0.442 16.284 1.511 443 HD1 PHE 56 HD2 PHE 56 1.787 16.403 0.079 444 HD2 PHE 56 HD1 PHE 56 -1.417 13.630 -0.623 445 HE1 PHE 56 HE2 PHE 56 2.565 16.098 -2.254 446 HE2 PHE 56 HE1 PHE 56 -0.636 13.323 -2.958 447 HZ PHE 56 HZ PHE 56 1.354 14.558 -3.773 448 H GLY 57 HN GLY 57 2.104 15.989 3.889 449 HA2 GLY 57 HA2 GLY 57 1.793 16.877 6.034 450 HA3 GLY 57 HA1 GLY 57 0.059 16.668 5.793 451 H LYS 58 HN LYS 58 0.316 13.752 5.310 452 HA LYS 58 HA LYS 58 0.137 12.920 8.074 453 HB2 LYS 58 HB2 LYS 58 0.172 11.351 5.491 454 HB3 LYS 58 HB1 LYS 58 -0.164 10.645 7.071 455 HG2 LYS 58 HG2 LYS 58 -2.070 12.185 7.356 456 HG3 LYS 58 HG1 LYS 58 -1.730 12.901 5.780 457 HD2 LYS 58 HD2 LYS 58 -2.068 10.664 4.731 458 HD3 LYS 58 HD1 LYS 58 -2.521 10.024 6.311 459 HE2 LYS 58 HE2 LYS 58 -3.925 12.294 4.872 460 HE3 LYS 58 HE1 LYS 58 -4.520 10.639 4.991 461 HZ1 LYS 58 HZ1 LYS 58 -4.379 10.936 7.464 462 HZ2 LYS 58 HZ2 LYS 58 -5.577 11.858 6.688 463 HZ3 LYS 58 HZ3 LYS 58 -4.126 12.590 7.186 464 H GLN 59 HN GLN 59 1.667 11.960 9.338 465 HA GLN 59 HA GLN 59 4.425 11.838 8.302 466 HB2 GLN 59 HB2 GLN 59 3.974 12.846 10.513 467 HB3 GLN 59 HB1 GLN 59 3.338 11.300 11.081 468 HG2 GLN 59 HG2 GLN 59 5.478 10.228 10.777 469 HG3 GLN 59 HG1 GLN 59 6.136 11.655 9.976 470 HE21 GLN 59 HE21 GLN 59 7.364 10.578 12.327 471 HE22 GLN 59 HE22 GLN 59 7.171 11.693 13.592 472 H LEU 60 HN LEU 60 5.738 9.919 8.526 473 HA LEU 60 HA LEU 60 4.204 7.343 8.674 474 HB2 LEU 60 HB2 LEU 60 6.447 8.074 6.767 475 HB3 LEU 60 HB1 LEU 60 5.671 6.494 6.876 476 HG LEU 60 HG LEU 60 4.239 9.085 6.208 477 HD11 LEU 60 HD11 LEU 60 4.064 7.992 3.923 478 HD12 LEU 60 HD12 LEU 60 5.260 6.820 4.476 479 HD13 LEU 60 HD13 LEU 60 5.682 8.530 4.371 480 HD21 LEU 60 HD21 LEU 60 3.369 6.212 6.526 481 HD22 LEU 60 HD22 LEU 60 2.517 7.257 5.391 482 HD23 LEU 60 HD23 LEU 60 2.577 7.681 7.096 483 H GLN 61 HN GLN 61 5.409 5.559 9.503 484 HA GLN 61 HA GLN 61 7.855 6.357 11.050 485 HB2 GLN 61 HB2 GLN 61 5.632 4.412 11.671 486 HB3 GLN 61 HB1 GLN 61 7.160 4.434 12.560 487 HG2 GLN 61 HG2 GLN 61 6.798 6.780 13.161 488 HG3 GLN 61 HG1 GLN 61 5.304 6.809 12.224 489 HE21 GLN 61 HE21 GLN 61 5.994 6.961 15.290 490 HE22 GLN 61 HE22 GLN 61 4.882 5.877 15.978 491 H ASP 62 HN ASP 62 9.670 5.277 10.690 492 HA ASP 62 HA ASP 62 9.962 3.517 8.469 493 HB2 ASP 62 HB2 ASP 62 11.752 4.971 9.334 494 HB3 ASP 62 HB1 ASP 62 11.834 3.996 10.801 495 H SER 63 HN SER 63 10.093 1.328 8.308 496 HA SER 63 HA SER 63 9.859 -0.923 8.864 497 HB2 SER 63 HB2 SER 63 10.707 -0.241 11.674 498 HB3 SER 63 HB1 SER 63 11.036 -1.700 10.743 499 HG SER 63 HG SER 63 12.785 -0.077 10.950 500 H ASP 64 HN ASP 64 7.870 1.395 9.953 501 HA ASP 64 HA ASP 64 6.383 -0.163 11.940 502 HB2 ASP 64 HB2 ASP 64 6.444 2.279 12.064 503 HB3 ASP 64 HB1 ASP 64 5.662 2.395 10.486 504 H VAL 65 HN VAL 65 4.787 -1.580 11.508 505 HA VAL 65 HA VAL 65 4.020 -2.088 8.718 506 HB VAL 65 HB VAL 65 2.540 -3.872 9.934 507 HG11 VAL 65 HG11 VAL 65 4.570 -4.433 8.693 508 HG12 VAL 65 HG12 VAL 65 4.544 -5.336 10.208 509 HG13 VAL 65 HG13 VAL 65 5.572 -3.913 10.046 510 HG21 VAL 65 HG21 VAL 65 4.522 -3.285 12.144 511 HG22 VAL 65 HG22 VAL 65 3.139 -4.377 12.187 512 HG23 VAL 65 HG23 VAL 65 2.885 -2.633 12.159 513 H VAL 66 HN VAL 66 2.386 -1.023 7.784 514 HA VAL 66 HA VAL 66 0.002 -0.301 9.430 515 HB VAL 66 HB VAL 66 -0.073 1.915 8.329 516 HG11 VAL 66 HG11 VAL 66 1.164 1.424 10.542 517 HG12 VAL 66 HG12 VAL 66 1.543 2.940 9.727 518 HG13 VAL 66 HG13 VAL 66 2.647 1.570 9.599 519 HG21 VAL 66 HG21 VAL 66 2.053 2.675 7.181 520 HG22 VAL 66 HG22 VAL 66 1.129 1.470 6.285 521 HG23 VAL 66 HG23 VAL 66 2.573 0.990 7.175 522 H ARG 67 HN ARG 67 -1.869 0.220 8.076 523 HA ARG 67 HA ARG 67 -1.816 -1.153 5.412 524 HB2 ARG 67 HB2 ARG 67 -2.979 -2.483 7.164 525 HB3 ARG 67 HB1 ARG 67 -4.060 -1.120 7.450 526 HG2 ARG 67 HG2 ARG 67 -4.908 -1.243 5.182 527 HG3 ARG 67 HG1 ARG 67 -3.732 -2.488 4.765 528 HD2 ARG 67 HD2 ARG 67 -4.740 -3.949 6.536 529 HD3 ARG 67 HD1 ARG 67 -5.989 -2.731 6.775 530 HE ARG 67 HE ARG 67 -5.701 -4.497 4.416 531 HH11 ARG 67 HH21 ARG 67 -7.221 -1.794 5.949 532 HH12 ARG 67 HH22 ARG 67 -8.604 -1.826 4.910 533 HH21 ARG 67 HH11 ARG 67 -7.493 -4.535 3.061 534 HH22 ARG 67 HH12 ARG 67 -8.757 -3.371 3.275 535 H ILE 68 HN ILE 68 -2.399 0.196 3.788 536 HA ILE 68 HA ILE 68 -3.821 2.738 4.507 537 HB ILE 68 HB ILE 68 -2.182 2.064 2.043 538 HG12 ILE 68 HG12 ILE 68 -1.494 3.836 4.406 539 HG13 ILE 68 HG11 ILE 68 -0.913 2.181 4.224 540 HG21 ILE 68 HG21 ILE 68 -2.315 4.489 1.628 541 HG22 ILE 68 HG22 ILE 68 -3.297 4.694 3.078 542 HG23 ILE 68 HG23 ILE 68 -3.936 3.800 1.700 543 HD11 ILE 68 HD11 ILE 68 0.734 3.858 3.402 544 HD12 ILE 68 HD12 ILE 68 -0.450 4.405 2.215 545 HD13 ILE 68 HD13 ILE 68 0.197 2.766 2.126 546 H ASP 69 HN ASP 69 -5.850 3.009 3.800 547 HA ASP 69 HA ASP 69 -6.924 1.129 1.721 548 HB2 ASP 69 HB2 ASP 69 -8.199 2.463 4.113 549 HB3 ASP 69 HB1 ASP 69 -9.155 1.740 2.821 550 H ASN 70 HN ASN 70 -8.249 1.994 0.101 551 HA ASN 70 HA ASN 70 -8.948 3.590 -1.453 552 HB2 ASN 70 HB2 ASN 70 -10.194 4.403 0.627 553 HB3 ASN 70 HB1 ASN 70 -8.899 5.583 0.825 554 HD21 ASN 70 HD21 ASN 70 -11.655 6.320 0.229 555 HD22 ASN 70 HD22 ASN 70 -11.663 7.046 -1.305 556 H ALA 71 HN ALA 71 -6.128 3.123 -1.112 557 HA ALA 71 HA ALA 71 -4.717 5.663 -1.120 558 HB1 ALA 71 HB1 ALA 71 -2.772 4.382 -1.553 559 HB2 ALA 71 HB2 ALA 71 -3.691 3.086 -2.319 560 HB3 ALA 71 HB3 ALA 71 -3.779 3.317 -0.574 561 H ARG 72 HN ARG 72 -4.318 6.982 -2.857 562 HA ARG 72 HA ARG 72 -5.641 6.339 -5.402 563 HB2 ARG 72 HB2 ARG 72 -5.775 8.602 -4.412 564 HB3 ARG 72 HB1 ARG 72 -4.028 8.768 -4.573 565 HG2 ARG 72 HG2 ARG 72 -4.184 8.579 -6.994 566 HG3 ARG 72 HG1 ARG 72 -5.916 8.258 -6.890 567 HD2 ARG 72 HD2 ARG 72 -6.220 10.502 -5.823 568 HD3 ARG 72 HD1 ARG 72 -4.506 10.820 -6.086 569 HE ARG 72 HE ARG 72 -5.601 10.067 -8.584 570 HH11 ARG 72 HH21 ARG 72 -5.908 12.540 -6.195 571 HH12 ARG 72 HH22 ARG 72 -6.360 13.764 -7.334 572 HH21 ARG 72 HH11 ARG 72 -6.186 11.652 -10.076 573 HH22 ARG 72 HH12 ARG 72 -6.517 13.262 -9.530 574 H VAL 73 HN VAL 73 -4.639 5.591 -7.186 575 HA VAL 73 HA VAL 73 -1.751 5.005 -7.062 576 HB VAL 73 HB VAL 73 -3.849 4.377 -9.161 577 HG11 VAL 73 HG11 VAL 73 -1.659 4.396 -10.189 578 HG12 VAL 73 HG12 VAL 73 -2.107 2.714 -9.919 579 HG13 VAL 73 HG13 VAL 73 -0.962 3.505 -8.838 580 HG21 VAL 73 HG21 VAL 73 -4.288 3.241 -7.051 581 HG22 VAL 73 HG22 VAL 73 -2.601 2.740 -6.933 582 HG23 VAL 73 HG23 VAL 73 -3.632 2.073 -8.199 583 H ALA 74 HN ALA 74 -0.207 6.137 -8.196 584 HA ALA 74 HA ALA 74 -1.080 7.980 -10.369 585 HB1 ALA 74 HB1 ALA 74 0.310 9.796 -9.396 586 HB2 ALA 74 HB2 ALA 74 0.587 8.797 -7.969 587 HB3 ALA 74 HB3 ALA 74 -1.039 9.365 -8.347 588 H GLN 75 HN GLN 75 0.655 8.564 -11.787 589 HA GLN 75 HA GLN 75 3.042 6.752 -11.608 590 HB2 GLN 75 HB2 GLN 75 1.506 6.229 -13.481 591 HB3 GLN 75 HB1 GLN 75 1.669 7.886 -14.060 592 HG2 GLN 75 HG2 GLN 75 4.026 7.592 -14.470 593 HG3 GLN 75 HG1 GLN 75 4.020 6.012 -13.690 594 HE21 GLN 75 HE21 GLN 75 4.905 6.210 -16.356 595 HE22 GLN 75 HE22 GLN 75 3.770 5.483 -17.386 596 H PHE 76 HN PHE 76 4.846 7.891 -11.138 597 HA PHE 76 HA PHE 76 5.141 10.647 -12.294 598 HB2 PHE 76 HB2 PHE 76 5.850 9.640 -9.529 599 HB3 PHE 76 HB1 PHE 76 6.504 11.135 -10.201 600 HD1 PHE 76 HD1 PHE 76 4.776 12.827 -11.181 601 HD2 PHE 76 HD2 PHE 76 3.759 9.680 -8.439 602 HE1 PHE 76 HE1 PHE 76 2.697 14.032 -10.570 603 HE2 PHE 76 HE2 PHE 76 1.679 10.886 -7.828 604 HZ PHE 76 HZ PHE 76 1.148 13.062 -8.894 605 H ASN 77 HN ASN 77 6.977 10.975 -13.390 606 HA ASN 77 HA ASN 77 9.006 10.533 -14.443 607 HB2 ASN 77 HB2 ASN 77 9.538 9.376 -11.694 608 HB3 ASN 77 HB1 ASN 77 10.775 9.498 -12.943 609 HD21 ASN 77 HD21 ASN 77 10.813 10.995 -10.415 610 HD22 ASN 77 HD22 ASN 77 10.722 12.641 -10.818 611 H GLY 78 HN GLY 78 6.824 8.588 -14.745 612 HA2 GLY 78 HA2 GLY 78 6.625 6.600 -15.995 613 HA3 GLY 78 HA1 GLY 78 8.383 6.480 -16.000 614 H TYR 79 HN TYR 79 7.369 6.919 -12.839 615 HA TYR 79 HA TYR 79 7.463 3.960 -12.328 616 HB2 TYR 79 HB2 TYR 79 8.376 6.303 -10.641 617 HB3 TYR 79 HB1 TYR 79 8.315 4.634 -10.068 618 HD1 TYR 79 HD2 TYR 79 9.659 2.863 -11.268 619 HD2 TYR 79 HD1 TYR 79 10.158 7.059 -12.038 620 HE1 TYR 79 HE2 TYR 79 11.854 2.407 -12.328 621 HE2 TYR 79 HE1 TYR 79 12.352 6.603 -13.098 622 HH TYR 79 HH TYR 79 13.328 4.124 -14.314 623 H LEU 80 HN LEU 80 5.774 3.055 -11.291 624 HA LEU 80 HA LEU 80 3.412 4.661 -10.724 625 HB2 LEU 80 HB2 LEU 80 4.008 1.731 -10.239 626 HB3 LEU 80 HB1 LEU 80 2.419 2.478 -10.075 627 HG LEU 80 HG LEU 80 4.065 2.457 -12.623 628 HD11 LEU 80 HD11 LEU 80 1.590 0.859 -11.911 629 HD12 LEU 80 HD12 LEU 80 3.229 0.208 -11.957 630 HD13 LEU 80 HD13 LEU 80 2.473 0.799 -13.437 631 HD21 LEU 80 HD21 LEU 80 1.632 3.049 -13.500 632 HD22 LEU 80 HD22 LEU 80 2.669 4.310 -12.857 633 HD23 LEU 80 HD23 LEU 80 1.397 3.623 -11.849 634 H SER 81 HN SER 81 2.496 5.076 -8.688 635 HA SER 81 HA SER 81 3.847 4.115 -6.267 636 HB2 SER 81 HB2 SER 81 4.413 6.334 -5.428 637 HB3 SER 81 HB1 SER 81 5.222 6.072 -6.970 638 HG SER 81 HG SER 81 2.728 7.389 -6.627 639 H LEU 82 HN LEU 82 2.675 4.821 -4.301 640 HA LEU 82 HA LEU 82 -0.226 5.285 -4.890 641 HB2 LEU 82 HB2 LEU 82 1.107 4.148 -2.414 642 HB3 LEU 82 HB1 LEU 82 -0.628 4.257 -2.700 643 HG LEU 82 HG LEU 82 1.322 2.679 -4.407 644 HD11 LEU 82 HD11 LEU 82 0.195 0.702 -3.415 645 HD12 LEU 82 HD12 LEU 82 -0.730 1.774 -2.363 646 HD13 LEU 82 HD13 LEU 82 1.022 1.667 -2.192 647 HD21 LEU 82 HD21 LEU 82 -0.994 1.692 -5.172 648 HD22 LEU 82 HD22 LEU 82 -0.457 3.224 -5.849 649 HD23 LEU 82 HD23 LEU 82 -1.649 3.207 -4.548 650 H SER 83 HN SER 83 -1.135 7.146 -4.222 651 HA SER 83 HA SER 83 0.495 8.983 -2.506 652 HB2 SER 83 HB2 SER 83 -0.020 9.926 -4.674 653 HB3 SER 83 HB1 SER 83 -1.719 9.493 -4.512 654 HG SER 83 HG SER 83 -1.118 10.866 -2.372 655 H VAL 84 HN VAL 84 -0.249 9.390 -0.489 656 HA VAL 84 HA VAL 84 -3.006 8.476 0.216 657 HB VAL 84 HB VAL 84 -0.836 9.298 2.148 658 HG11 VAL 84 HG11 VAL 84 -3.061 9.070 3.092 659 HG12 VAL 84 HG12 VAL 84 -2.081 7.699 3.605 660 HG13 VAL 84 HG13 VAL 84 -3.267 7.499 2.318 661 HG21 VAL 84 HG21 VAL 84 0.213 7.602 0.821 662 HG22 VAL 84 HG22 VAL 84 -1.270 6.649 0.752 663 HG23 VAL 84 HG23 VAL 84 -0.381 6.789 2.268 664 H GLY 85 HN GLY 85 -4.410 10.109 -0.069 665 HA2 GLY 85 HA2 GLY 85 -3.627 12.898 0.591 666 HA3 GLY 85 HA1 GLY 85 -5.078 12.407 -0.282 667 H ASP 86 HN ASP 86 -5.772 14.089 1.539 668 HA ASP 86 HA ASP 86 -6.077 13.076 4.226 669 HB2 ASP 86 HB2 ASP 86 -7.482 15.270 2.681 670 HB3 ASP 86 HB1 ASP 86 -7.801 14.932 4.384 671 H SER 87 HN SER 87 -7.706 12.451 1.262 672 HA SER 87 HA SER 87 -10.230 11.608 2.521 673 HB2 SER 87 HB2 SER 87 -9.166 11.292 -0.302 674 HB3 SER 87 HB1 SER 87 -10.793 10.856 0.210 675 HG SER 87 HG SER 87 -9.575 13.423 0.247 676 H SER 88 HN SER 88 -7.145 10.305 2.127 677 HA SER 88 HA SER 88 -7.993 7.510 1.802 678 HB2 SER 88 HB2 SER 88 -5.871 8.261 0.821 679 HB3 SER 88 HB1 SER 88 -5.287 8.730 2.415 680 HG SER 88 HG SER 88 -5.174 6.352 1.251 681 H ARG 89 HN ARG 89 -7.157 5.881 3.479 682 HA ARG 89 HA ARG 89 -7.351 6.992 6.259 683 HB2 ARG 89 HB2 ARG 89 -8.651 4.482 5.170 684 HB3 ARG 89 HB1 ARG 89 -8.674 4.978 6.858 685 HG2 ARG 89 HG2 ARG 89 -9.702 6.779 4.660 686 HG3 ARG 89 HG1 ARG 89 -10.735 5.572 5.420 687 HD2 ARG 89 HD2 ARG 89 -10.172 6.602 7.653 688 HD3 ARG 89 HD1 ARG 89 -9.335 7.890 6.791 689 HE ARG 89 HE ARG 89 -11.969 7.654 5.731 690 HH11 ARG 89 HH21 ARG 89 -10.217 8.575 8.554 691 HH12 ARG 89 HH22 ARG 89 -11.387 9.750 9.058 692 HH21 ARG 89 HH11 ARG 89 -13.503 9.176 6.372 693 HH22 ARG 89 HH12 ARG 89 -13.250 10.088 7.822 694 H ILE 90 HN ILE 90 -5.962 6.135 7.718 695 HA ILE 90 HA ILE 90 -4.139 3.940 6.785 696 HB ILE 90 HB ILE 90 -3.531 6.352 8.518 697 HG12 ILE 90 HG12 ILE 90 -2.338 5.493 5.869 698 HG13 ILE 90 HG11 ILE 90 -3.661 6.651 6.001 699 HG21 ILE 90 HG21 ILE 90 -1.166 5.375 8.360 700 HG22 ILE 90 HG22 ILE 90 -1.932 3.878 7.831 701 HG23 ILE 90 HG23 ILE 90 -2.286 4.533 9.430 702 HD11 ILE 90 HD11 ILE 90 -2.209 8.032 7.522 703 HD12 ILE 90 HD12 ILE 90 -1.586 7.894 5.879 704 HD13 ILE 90 HD13 ILE 90 -0.879 6.927 7.171 705 H GLU 91 HN GLU 91 -4.068 2.194 8.087 706 HA GLU 91 HA GLU 91 -5.160 2.434 10.876 707 HB2 GLU 91 HB2 GLU 91 -6.689 1.192 9.351 708 HB3 GLU 91 HB1 GLU 91 -5.384 0.056 9.002 709 HG2 GLU 91 HG2 GLU 91 -5.254 -0.557 11.374 710 HG3 GLU 91 HG1 GLU 91 -6.514 0.615 11.760 711 H SER 92 HN SER 92 -3.426 2.300 12.179 712 HA SER 92 HA SER 92 -0.956 1.000 11.416 713 HB2 SER 92 HB2 SER 92 -0.963 2.912 12.942 714 HB3 SER 92 HB1 SER 92 -1.942 2.012 14.095 715 HG SER 92 HG SER 92 0.704 2.024 13.805 716 H VAL 93 HN VAL 93 -0.094 -0.971 12.203 717 HA VAL 93 HA VAL 93 -2.080 -2.776 13.568 718 HB VAL 93 HB VAL 93 0.036 -3.364 11.487 719 HG11 VAL 93 HG11 VAL 93 -0.863 -5.760 11.778 720 HG12 VAL 93 HG12 VAL 93 -1.507 -5.208 13.324 721 HG13 VAL 93 HG13 VAL 93 0.232 -5.171 13.028 722 HG21 VAL 93 HG21 VAL 93 -2.268 -2.521 10.824 723 HG22 VAL 93 HG22 VAL 93 -2.926 -3.991 11.542 724 HG23 VAL 93 HG23 VAL 93 -1.832 -4.096 10.163 725 H ASN 94 HN ASN 94 -1.473 -3.521 15.495 726 HA ASN 94 HA ASN 94 1.191 -4.294 16.207 727 HB2 ASN 94 HB2 ASN 94 1.282 -1.692 16.224 728 HB3 ASN 94 HB1 ASN 94 0.277 -1.804 17.668 729 HD21 ASN 94 HD21 ASN 94 1.936 -1.121 19.160 730 HD22 ASN 94 HD22 ASN 94 3.314 -2.061 19.477 731 H VAL 95 HN VAL 95 -2.058 -3.368 17.067 732 HA VAL 95 HA VAL 95 -3.548 -4.152 18.686 733 HB VAL 95 HB VAL 95 -1.748 -6.587 18.517 734 HG11 VAL 95 HG11 VAL 95 -4.458 -6.094 19.768 735 HG12 VAL 95 HG12 VAL 95 -3.038 -6.845 20.498 736 HG13 VAL 95 HG13 VAL 95 -3.954 -7.709 19.267 737 HG21 VAL 95 HG21 VAL 95 -3.666 -7.384 17.043 738 HG22 VAL 95 HG22 VAL 95 -2.669 -6.103 16.351 739 HG23 VAL 95 HG23 VAL 95 -4.246 -5.718 17.042 740 H ASN 96 HN ASN 96 -3.763 -4.805 20.971 741 HA ASN 96 HA ASN 96 -3.211 -4.542 23.220 742 HB2 ASN 96 HB2 ASN 96 -1.550 -6.356 22.579 743 HB3 ASN 96 HB1 ASN 96 -0.352 -5.076 22.375 744 HD21 ASN 96 HD21 ASN 96 -2.784 -6.118 24.840 745 HD22 ASN 96 HD22 ASN 96 -1.788 -5.779 26.173 746 H ILE 97 HN ILE 97 -3.532 -2.440 23.706 747 HA ILE 97 HA ILE 97 -3.184 -0.100 23.732 748 HB ILE 97 HB ILE 97 -1.076 0.414 25.041 749 HG12 ILE 97 HG12 ILE 97 -0.754 -2.608 25.028 750 HG13 ILE 97 HG11 ILE 97 0.242 -1.518 24.061 751 HG21 ILE 97 HG21 ILE 97 -3.080 -0.016 26.262 752 HG22 ILE 97 HG22 ILE 97 -1.852 -1.030 27.018 753 HG23 ILE 97 HG23 ILE 97 -3.019 -1.740 25.902 754 HD11 ILE 97 HD11 ILE 97 0.856 -0.328 26.199 755 HD12 ILE 97 HD12 ILE 97 1.443 -1.988 26.094 756 HD13 ILE 97 HD13 ILE 97 0.027 -1.614 27.076 757 HA PRO 98 HA PRO 98 -0.389 -0.132 19.945 758 HB2 PRO 98 HB2 PRO 98 -2.271 0.538 18.075 759 HB3 PRO 98 HB1 PRO 98 -1.948 -1.140 18.557 760 HG2 PRO 98 HG2 PRO 98 -4.144 0.688 19.430 761 HG3 PRO 98 HG1 PRO 98 -4.207 -1.038 19.025 762 HD2 PRO 98 HD2 PRO 98 -4.130 -0.116 21.611 763 HD3 PRO 98 HD1 PRO 98 -3.474 -1.696 21.130 764 H LEU 99 HN LEU 99 0.436 1.729 18.915 765 HA LEU 99 HA LEU 99 0.949 3.997 18.729 766 HB2 LEU 99 HB2 LEU 99 -2.022 4.419 19.172 767 HB3 LEU 99 HB1 LEU 99 -0.896 5.530 18.398 768 HG LEU 99 HG LEU 99 -1.568 2.754 17.377 769 HD11 LEU 99 HD11 LEU 99 -2.355 5.464 16.267 770 HD12 LEU 99 HD12 LEU 99 -3.429 4.432 17.211 771 HD13 LEU 99 HD13 LEU 99 -2.836 3.887 15.643 772 HD21 LEU 99 HD21 LEU 99 0.276 4.959 16.439 773 HD22 LEU 99 HD22 LEU 99 -0.419 3.825 15.281 774 HD23 LEU 99 HD23 LEU 99 0.605 3.231 16.584 775 H GLU 100 HN GLU 100 1.971 5.162 20.225 776 HA GLU 100 HA GLU 100 1.351 4.886 23.034 777 HB2 GLU 100 HB2 GLU 100 3.274 6.676 21.530 778 HB3 GLU 100 HB1 GLU 100 3.176 6.615 23.292 779 HG2 GLU 100 HG2 GLU 100 3.682 4.217 23.265 780 HG3 GLU 100 HG1 GLU 100 3.711 4.226 21.501 781 H HIS 101 HN HIS 101 0.385 6.345 24.424 782 HA HIS 101 HA HIS 101 -1.273 7.939 24.963 783 HB2 HIS 101 HB2 HIS 101 0.721 9.584 23.378 784 HB3 HIS 101 HB1 HIS 101 -0.529 10.258 24.422 785 HD1 HIS 101 HD1 HIS 101 -0.408 9.293 27.012 786 HD2 HIS 101 HD2 HIS 101 3.069 9.056 24.726 787 HE1 HIS 101 HE1 HIS 101 1.502 8.980 28.644 788 H HIS 102 HN HIS 102 -0.482 9.681 22.042 789 HA HIS 102 HA HIS 102 -1.906 10.442 20.343 790 HB2 HIS 102 HB2 HIS 102 -1.246 8.142 19.586 791 HB3 HIS 102 HB1 HIS 102 -2.733 7.526 20.310 792 HD1 HIS 102 HD1 HIS 102 -4.976 8.163 19.171 793 HD2 HIS 102 HD2 HIS 102 -1.620 9.682 17.220 794 HE1 HIS 102 HE1 HIS 102 -5.777 9.015 16.925 795 H HIS 103 HN HIS 103 -3.299 11.745 21.588 796 HA HIS 103 HA HIS 103 -5.625 10.651 22.946 797 HB2 HIS 103 HB2 HIS 103 -4.361 12.839 23.478 798 HB3 HIS 103 HB1 HIS 103 -5.246 13.537 22.122 799 HD1 HIS 103 HD1 HIS 103 -6.215 11.334 25.094 800 HD2 HIS 103 HD2 HIS 103 -7.555 14.715 23.057 801 HE1 HIS 103 HE1 HIS 103 -8.343 12.070 26.252 802 H HIS 104 HN HIS 104 -7.600 12.513 22.172 803 HA HIS 104 HA HIS 104 -9.369 12.703 20.682 804 HB2 HIS 104 HB2 HIS 104 -7.135 12.456 18.639 805 HB3 HIS 104 HB1 HIS 104 -8.774 13.007 18.300 806 HD1 HIS 104 HD1 HIS 104 -9.547 15.192 19.746 807 HD2 HIS 104 HD2 HIS 104 -5.446 14.476 19.533 808 HE1 HIS 104 HE1 HIS 104 -8.408 17.348 20.426 809 H HIS 105 HN HIS 105 -10.424 10.789 21.207 810 HA HIS 105 HA HIS 105 -9.674 8.195 20.236 811 HB2 HIS 105 HB2 HIS 105 -12.352 9.289 21.154 812 HB3 HIS 105 HB1 HIS 105 -12.032 7.583 20.846 813 HD1 HIS 105 HD1 HIS 105 -9.935 6.576 22.323 814 HD2 HIS 105 HD2 HIS 105 -11.721 10.070 23.733 815 HE1 HIS 105 HE1 HIS 105 -9.261 6.795 24.754 816 H HIS 106 HN HIS 106 -11.871 10.700 19.003 817 HA HIS 106 HA HIS 106 -12.765 9.075 16.756 818 HB2 HIS 106 HB2 HIS 106 -14.123 10.921 17.753 819 HB3 HIS 106 HB1 HIS 106 -12.938 12.078 17.151 820 HD1 HIS 106 HD1 HIS 106 -12.819 12.444 14.571 821 HD2 HIS 106 HD2 HIS 106 -15.834 9.827 15.770 822 HE1 HIS 106 HE1 HIS 106 -14.332 12.126 12.564 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 -12.984 -0.849 -2.589 2 H2 SER 1 HT2 SER 1 -12.487 0.504 -3.491 3 H3 SER 1 HT3 SER 1 -13.068 0.703 -1.906 4 HA SER 1 HA SER 1 -10.439 0.356 -2.712 5 HB2 SER 1 HB2 SER 1 -10.979 1.709 -0.832 6 HB3 SER 1 HB1 SER 1 -11.901 0.421 -0.067 7 HG SER 1 HG SER 1 -9.882 -0.733 0.072 8 H ASP 2 HN ASP 2 -10.821 -1.843 -3.808 9 HA ASP 2 HA ASP 2 -11.083 -4.183 -2.108 10 HB2 ASP 2 HB2 ASP 2 -11.744 -4.084 -4.539 11 HB3 ASP 2 HB1 ASP 2 -10.028 -4.051 -4.945 12 H LEU 3 HN LEU 3 -9.415 -5.748 -1.673 13 HA LEU 3 HA LEU 3 -6.832 -4.538 -1.115 14 HB2 LEU 3 HB2 LEU 3 -7.842 -6.184 0.417 15 HB3 LEU 3 HB1 LEU 3 -7.765 -7.407 -0.849 16 HG LEU 3 HG LEU 3 -5.303 -7.213 -0.897 17 HD11 LEU 3 HD11 LEU 3 -4.738 -5.031 -0.274 18 HD12 LEU 3 HD12 LEU 3 -4.354 -5.914 1.198 19 HD13 LEU 3 HD13 LEU 3 -5.864 -5.012 1.082 20 HD21 LEU 3 HD21 LEU 3 -4.888 -8.298 1.234 21 HD22 LEU 3 HD22 LEU 3 -6.479 -8.792 0.656 22 HD23 LEU 3 HD23 LEU 3 -6.342 -7.577 1.926 23 H VAL 4 HN VAL 4 -5.060 -4.593 -2.379 24 HA VAL 4 HA VAL 4 -4.868 -6.662 -4.525 25 HB VAL 4 HB VAL 4 -4.052 -4.906 -6.090 26 HG11 VAL 4 HG11 VAL 4 -6.255 -4.036 -6.628 27 HG12 VAL 4 HG12 VAL 4 -6.812 -4.321 -4.978 28 HG13 VAL 4 HG13 VAL 4 -6.438 -5.686 -6.030 29 HG21 VAL 4 HG21 VAL 4 -4.669 -2.522 -5.453 30 HG22 VAL 4 HG22 VAL 4 -3.308 -3.204 -4.562 31 HG23 VAL 4 HG23 VAL 4 -4.896 -3.104 -3.804 32 H LYS 5 HN LYS 5 -2.657 -6.853 -5.351 33 HA LYS 5 HA LYS 5 -0.717 -6.621 -3.143 34 HB2 LYS 5 HB2 LYS 5 -0.326 -7.792 -5.909 35 HB3 LYS 5 HB1 LYS 5 0.643 -8.099 -4.472 36 HG2 LYS 5 HG2 LYS 5 -2.287 -8.832 -4.747 37 HG3 LYS 5 HG1 LYS 5 -0.954 -9.957 -4.985 38 HD2 LYS 5 HD2 LYS 5 -0.204 -9.476 -2.640 39 HD3 LYS 5 HD1 LYS 5 -1.651 -8.497 -2.420 40 HE2 LYS 5 HE2 LYS 5 -3.078 -10.416 -2.890 41 HE3 LYS 5 HE1 LYS 5 -1.656 -11.422 -3.175 42 HZ1 LYS 5 HZ1 LYS 5 -1.961 -11.878 -0.998 43 HZ2 LYS 5 HZ2 LYS 5 -2.744 -10.407 -0.671 44 HZ3 LYS 5 HZ3 LYS 5 -1.051 -10.461 -0.799 45 H ILE 6 HN ILE 6 1.477 -5.816 -3.600 46 HA ILE 6 HA ILE 6 1.461 -3.164 -4.658 47 HB ILE 6 HB ILE 6 3.744 -5.066 -4.041 48 HG12 ILE 6 HG12 ILE 6 2.723 -2.660 -2.503 49 HG13 ILE 6 HG11 ILE 6 2.202 -4.312 -2.171 50 HG21 ILE 6 HG21 ILE 6 4.636 -3.450 -5.556 51 HG22 ILE 6 HG22 ILE 6 5.068 -2.878 -3.946 52 HG23 ILE 6 HG23 ILE 6 3.720 -2.141 -4.813 53 HD11 ILE 6 HD11 ILE 6 5.116 -3.494 -2.200 54 HD12 ILE 6 HD12 ILE 6 4.422 -4.991 -1.579 55 HD13 ILE 6 HD13 ILE 6 4.132 -3.469 -0.737 56 H ARG 7 HN ARG 7 2.619 -6.253 -6.000 57 HA ARG 7 HA ARG 7 3.592 -5.071 -8.451 58 HB2 ARG 7 HB2 ARG 7 3.010 -7.872 -7.502 59 HB3 ARG 7 HB1 ARG 7 3.426 -7.586 -9.189 60 HG2 ARG 7 HG2 ARG 7 5.159 -6.453 -6.989 61 HG3 ARG 7 HG1 ARG 7 5.340 -8.135 -7.483 62 HD2 ARG 7 HD2 ARG 7 5.662 -7.371 -9.839 63 HD3 ARG 7 HD1 ARG 7 5.600 -5.704 -9.274 64 HE ARG 7 HE ARG 7 7.617 -7.459 -8.004 65 HH11 ARG 7 HH21 ARG 7 6.811 -4.995 -10.299 66 HH12 ARG 7 HH22 ARG 7 8.439 -4.435 -10.454 67 HH21 ARG 7 HH11 ARG 7 9.738 -6.736 -8.214 68 HH22 ARG 7 HH12 ARG 7 10.094 -5.420 -9.282 69 H ASP 8 HN ASP 8 0.469 -5.812 -7.303 70 HA ASP 8 HA ASP 8 -0.687 -6.148 -10.014 71 HB2 ASP 8 HB2 ASP 8 -1.918 -6.092 -7.240 72 HB3 ASP 8 HB1 ASP 8 -2.840 -6.313 -8.728 73 H VAL 9 HN VAL 9 0.415 -3.608 -8.244 74 HA VAL 9 HA VAL 9 -1.740 -1.741 -8.315 75 HB VAL 9 HB VAL 9 1.262 -1.329 -8.349 76 HG11 VAL 9 HG11 VAL 9 0.579 0.997 -7.500 77 HG12 VAL 9 HG12 VAL 9 -1.029 0.635 -8.128 78 HG13 VAL 9 HG13 VAL 9 0.352 0.696 -9.223 79 HG21 VAL 9 HG21 VAL 9 -0.714 -0.882 -6.103 80 HG22 VAL 9 HG22 VAL 9 1.040 -1.035 -5.998 81 HG23 VAL 9 HG23 VAL 9 0.053 -2.448 -6.368 82 H SER 10 HN SER 10 -2.555 -0.517 -9.925 83 HA SER 10 HA SER 10 -1.011 0.051 -12.354 84 HB2 SER 10 HB2 SER 10 -2.830 -0.917 -13.826 85 HB3 SER 10 HB1 SER 10 -1.865 -2.122 -12.979 86 HG SER 10 HG SER 10 -4.276 -1.072 -11.932 87 H LEU 11 HN LEU 11 -2.252 1.559 -13.774 88 HA LEU 11 HA LEU 11 -3.644 3.550 -12.198 89 HB2 LEU 11 HB2 LEU 11 -3.277 3.247 -15.196 90 HB3 LEU 11 HB1 LEU 11 -3.910 4.689 -14.407 91 HG LEU 11 HG LEU 11 -1.188 3.480 -13.827 92 HD11 LEU 11 HD11 LEU 11 -0.244 5.263 -15.176 93 HD12 LEU 11 HD12 LEU 11 -1.845 5.948 -15.463 94 HD13 LEU 11 HD13 LEU 11 -1.419 4.384 -16.155 95 HD21 LEU 11 HD21 LEU 11 -0.936 5.973 -12.947 96 HD22 LEU 11 HD22 LEU 11 -1.683 4.748 -11.933 97 HD23 LEU 11 HD23 LEU 11 -2.693 5.888 -12.820 98 H SER 12 HN SER 12 -4.640 0.682 -13.704 99 HA SER 12 HA SER 12 -7.267 1.432 -14.598 100 HB2 SER 12 HB2 SER 12 -7.737 -0.996 -14.470 101 HB3 SER 12 HB1 SER 12 -6.194 -0.682 -15.259 102 HG SER 12 HG SER 12 -6.288 -2.339 -13.510 103 H THR 13 HN THR 13 -5.898 1.008 -11.461 104 HA THR 13 HA THR 13 -8.642 1.042 -10.228 105 HB THR 13 HB THR 13 -7.868 -0.317 -8.474 106 HG1 THR 13 HG1 THR 13 -5.370 -0.810 -8.855 107 HG21 THR 13 HG21 THR 13 -6.413 -1.324 -10.927 108 HG22 THR 13 HG22 THR 13 -8.142 -1.517 -10.634 109 HG23 THR 13 HG23 THR 13 -6.974 -2.296 -9.567 110 HA PRO 14 HA PRO 14 -6.522 5.096 -9.323 111 HB2 PRO 14 HB2 PRO 14 -9.403 5.705 -8.732 112 HB3 PRO 14 HB1 PRO 14 -8.211 6.662 -9.637 113 HG2 PRO 14 HG2 PRO 14 -10.142 5.305 -10.884 114 HG3 PRO 14 HG1 PRO 14 -8.516 5.449 -11.577 115 HD2 PRO 14 HD2 PRO 14 -9.791 3.089 -10.247 116 HD3 PRO 14 HD1 PRO 14 -8.600 3.133 -11.566 117 H TYR 15 HN TYR 15 -9.118 3.458 -7.503 118 HA TYR 15 HA TYR 15 -7.753 4.263 -4.952 119 HB2 TYR 15 HB2 TYR 15 -10.688 3.789 -5.520 120 HB3 TYR 15 HB1 TYR 15 -10.010 4.008 -3.905 121 HD1 TYR 15 HD1 TYR 15 -8.693 6.144 -3.415 122 HD2 TYR 15 HD2 TYR 15 -11.178 5.664 -6.886 123 HE1 TYR 15 HE1 TYR 15 -8.760 8.605 -3.706 124 HE2 TYR 15 HE2 TYR 15 -11.244 8.126 -7.178 125 HH TYR 15 HH TYR 15 -9.341 10.276 -5.093 126 H VAL 16 HN VAL 16 -7.057 2.619 -3.685 127 HA VAL 16 HA VAL 16 -8.394 -0.008 -3.789 128 HB VAL 16 HB VAL 16 -6.233 -1.212 -4.243 129 HG11 VAL 16 HG11 VAL 16 -6.418 -1.053 -6.610 130 HG12 VAL 16 HG12 VAL 16 -6.973 0.618 -6.530 131 HG13 VAL 16 HG13 VAL 16 -8.028 -0.688 -5.990 132 HG21 VAL 16 HG21 VAL 16 -5.344 1.600 -4.943 133 HG22 VAL 16 HG22 VAL 16 -4.472 0.145 -5.423 134 HG23 VAL 16 HG23 VAL 16 -4.652 0.542 -3.715 135 H SER 17 HN SER 17 -6.736 -1.557 -2.402 136 HA SER 17 HA SER 17 -5.869 0.008 0.003 137 HB2 SER 17 HB2 SER 17 -6.765 -2.048 1.304 138 HB3 SER 17 HB1 SER 17 -7.938 -0.883 0.714 139 HG SER 17 HG SER 17 -7.803 -3.452 0.183 140 H VAL 18 HN VAL 18 -3.914 -0.673 0.833 141 HA VAL 18 HA VAL 18 -2.812 -3.293 -0.096 142 HB VAL 18 HB VAL 18 -0.615 -2.170 -0.509 143 HG11 VAL 18 HG11 VAL 18 -1.235 -1.303 -2.694 144 HG12 VAL 18 HG12 VAL 18 -2.896 -1.042 -2.160 145 HG13 VAL 18 HG13 VAL 18 -2.269 -2.683 -2.323 146 HG21 VAL 18 HG21 VAL 18 -0.490 0.232 -0.668 147 HG22 VAL 18 HG22 VAL 18 -1.192 -0.135 0.904 148 HG23 VAL 18 HG23 VAL 18 -2.226 0.398 -0.420 149 H ILE 19 HN ILE 19 -1.043 -4.051 1.232 150 HA ILE 19 HA ILE 19 -0.824 -2.754 3.921 151 HB ILE 19 HB ILE 19 -1.371 -5.678 3.329 152 HG12 ILE 19 HG12 ILE 19 -2.870 -3.722 5.074 153 HG13 ILE 19 HG11 ILE 19 -3.287 -4.001 3.384 154 HG21 ILE 19 HG21 ILE 19 -1.327 -5.810 5.889 155 HG22 ILE 19 HG22 ILE 19 -0.498 -4.255 5.850 156 HG23 ILE 19 HG23 ILE 19 0.238 -5.666 5.091 157 HD11 ILE 19 HD11 ILE 19 -4.659 -5.392 4.904 158 HD12 ILE 19 HD12 ILE 19 -3.189 -6.134 5.533 159 HD13 ILE 19 HD13 ILE 19 -3.651 -6.382 3.849 160 H GLY 20 HN GLY 20 1.288 -2.668 4.644 161 HA2 GLY 20 HA2 GLY 20 3.243 -4.665 3.904 162 HA3 GLY 20 HA1 GLY 20 3.446 -3.220 2.919 163 H LYS 21 HN LYS 21 5.595 -3.365 4.161 164 HA LYS 21 HA LYS 21 5.371 -1.949 6.798 165 HB2 LYS 21 HB2 LYS 21 6.436 -4.196 6.899 166 HB3 LYS 21 HB1 LYS 21 7.643 -3.647 5.738 167 HG2 LYS 21 HG2 LYS 21 8.400 -1.916 7.288 168 HG3 LYS 21 HG1 LYS 21 7.136 -2.358 8.436 169 HD2 LYS 21 HD2 LYS 21 8.111 -4.619 8.639 170 HD3 LYS 21 HD1 LYS 21 9.387 -4.168 7.507 171 HE2 LYS 21 HE2 LYS 21 10.159 -2.422 9.030 172 HE3 LYS 21 HE1 LYS 21 8.848 -2.785 10.152 173 HZ1 LYS 21 HZ1 LYS 21 10.206 -5.160 9.562 174 HZ2 LYS 21 HZ2 LYS 21 10.104 -4.347 11.050 175 HZ3 LYS 21 HZ3 LYS 21 11.365 -3.989 9.968 176 H ILE 22 HN ILE 22 5.903 0.130 6.700 177 HA ILE 22 HA ILE 22 7.365 1.167 4.353 178 HB ILE 22 HB ILE 22 6.018 2.516 6.711 179 HG12 ILE 22 HG12 ILE 22 4.564 3.380 4.773 180 HG13 ILE 22 HG11 ILE 22 5.338 2.151 3.778 181 HG21 ILE 22 HG21 ILE 22 7.599 3.655 4.403 182 HG22 ILE 22 HG22 ILE 22 7.796 3.976 6.124 183 HG23 ILE 22 HG23 ILE 22 6.389 4.606 5.267 184 HD11 ILE 22 HD11 ILE 22 4.372 0.384 4.986 185 HD12 ILE 22 HD12 ILE 22 3.081 1.578 4.946 186 HD13 ILE 22 HD13 ILE 22 4.053 1.387 6.401 187 H THR 23 HN THR 23 9.453 1.805 4.382 188 HA THR 23 HA THR 23 10.840 2.148 7.006 189 HB THR 23 HB THR 23 12.577 0.679 6.454 190 HG1 THR 23 HG1 THR 23 11.877 1.417 3.920 191 HG21 THR 23 HG21 THR 23 10.251 -0.428 6.722 192 HG22 THR 23 HG22 THR 23 11.549 -1.406 6.040 193 HG23 THR 23 HG23 THR 23 10.331 -0.694 4.982 194 H GLY 24 HN GLY 24 12.817 3.411 6.818 195 HA2 GLY 24 HA2 GLY 24 14.055 5.232 6.028 196 HA3 GLY 24 HA1 GLY 24 13.709 4.636 4.404 197 H ILE 25 HN ILE 25 12.470 6.673 7.021 198 HA ILE 25 HA ILE 25 10.315 7.737 5.317 199 HB ILE 25 HB ILE 25 11.262 8.692 8.032 200 HG12 ILE 25 HG12 ILE 25 10.682 6.345 8.192 201 HG13 ILE 25 HG11 ILE 25 9.371 7.287 8.893 202 HG21 ILE 25 HG21 ILE 25 8.913 9.541 8.170 203 HG22 ILE 25 HG22 ILE 25 8.678 9.058 6.490 204 HG23 ILE 25 HG23 ILE 25 9.853 10.311 6.891 205 HD11 ILE 25 HD11 ILE 25 9.435 5.791 6.286 206 HD12 ILE 25 HD12 ILE 25 8.342 7.161 6.473 207 HD13 ILE 25 HD13 ILE 25 8.208 5.774 7.547 208 H HIS 26 HN HIS 26 10.476 9.521 4.084 209 HA HIS 26 HA HIS 26 12.775 11.393 4.525 210 HB2 HIS 26 HB2 HIS 26 13.218 9.842 2.611 211 HB3 HIS 26 HB1 HIS 26 11.750 10.440 1.833 212 HD1 HIS 26 HD1 HIS 26 14.846 12.017 3.431 213 HD2 HIS 26 HD2 HIS 26 12.323 12.538 0.154 214 HE1 HIS 26 HE1 HIS 26 15.751 13.997 2.138 215 H LYS 27 HN LYS 27 12.204 13.522 4.428 216 HA LYS 27 HA LYS 27 9.329 14.133 3.845 217 HB2 LYS 27 HB2 LYS 27 10.340 14.651 6.122 218 HB3 LYS 27 HB1 LYS 27 11.329 15.862 5.307 219 HG2 LYS 27 HG2 LYS 27 9.345 17.027 4.519 220 HG3 LYS 27 HG1 LYS 27 8.304 15.764 5.167 221 HD2 LYS 27 HD2 LYS 27 8.247 17.523 6.777 222 HD3 LYS 27 HD1 LYS 27 9.301 16.286 7.457 223 HE2 LYS 27 HE2 LYS 27 11.266 17.522 6.935 224 HE3 LYS 27 HE1 LYS 27 10.395 18.603 5.846 225 HZ1 LYS 27 HZ1 LYS 27 9.617 18.440 8.678 226 HZ2 LYS 27 HZ2 LYS 27 9.434 19.726 7.584 227 HZ3 LYS 27 HZ3 LYS 27 10.962 19.371 8.234 228 H LYS 28 HN LYS 28 8.803 15.583 2.276 229 HA LYS 28 HA LYS 28 10.910 17.287 1.066 230 HB2 LYS 28 HB2 LYS 28 10.685 15.048 -0.203 231 HB3 LYS 28 HB1 LYS 28 9.090 15.623 -0.687 232 HG2 LYS 28 HG2 LYS 28 10.059 17.588 -1.739 233 HG3 LYS 28 HG1 LYS 28 11.658 17.176 -1.130 234 HD2 LYS 28 HD2 LYS 28 11.631 16.445 -3.401 235 HD3 LYS 28 HD1 LYS 28 11.454 14.989 -2.425 236 HE2 LYS 28 HE2 LYS 28 9.114 14.850 -2.876 237 HE3 LYS 28 HE1 LYS 28 9.066 16.490 -3.525 238 HZ1 LYS 28 HZ1 LYS 28 9.172 14.455 -5.114 239 HZ2 LYS 28 HZ2 LYS 28 10.835 14.504 -4.769 240 HZ3 LYS 28 HZ3 LYS 28 10.068 15.852 -5.464 241 H GLU 29 HN GLU 29 9.914 19.028 -0.270 242 HA GLU 29 HA GLU 29 6.996 19.438 0.293 243 HB2 GLU 29 HB2 GLU 29 7.449 21.788 0.846 244 HB3 GLU 29 HB1 GLU 29 8.300 20.713 1.954 245 HG2 GLU 29 HG2 GLU 29 10.359 20.968 0.582 246 HG3 GLU 29 HG1 GLU 29 9.500 22.108 -0.458 247 H TYR 30 HN TYR 30 5.870 20.583 -1.293 248 HA TYR 30 HA TYR 30 7.409 21.607 -3.630 249 HB2 TYR 30 HB2 TYR 30 6.117 20.339 -5.237 250 HB3 TYR 30 HB1 TYR 30 6.849 19.205 -4.106 251 HD1 TYR 30 HD2 TYR 30 5.378 18.637 -1.969 252 HD2 TYR 30 HD1 TYR 30 3.824 20.154 -5.678 253 HE1 TYR 30 HE2 TYR 30 3.136 17.751 -1.396 254 HE2 TYR 30 HE1 TYR 30 1.584 19.263 -5.104 255 HH TYR 30 HH TYR 30 1.069 17.350 -2.153 256 H GLU 31 HN GLU 31 5.953 22.857 -5.108 257 HA GLU 31 HA GLU 31 4.142 24.496 -3.495 258 HB2 GLU 31 HB2 GLU 31 4.109 25.972 -5.400 259 HB3 GLU 31 HB1 GLU 31 5.769 25.427 -5.162 260 HG2 GLU 31 HG2 GLU 31 5.294 23.598 -6.857 261 HG3 GLU 31 HG1 GLU 31 3.779 24.429 -7.212 262 H SER 32 HN SER 32 1.931 24.572 -3.641 263 HA SER 32 HA SER 32 0.528 23.249 -5.863 264 HB2 SER 32 HB2 SER 32 0.941 21.413 -4.222 265 HB3 SER 32 HB1 SER 32 0.094 22.348 -2.993 266 HG SER 32 HG SER 32 -0.933 21.369 -5.456 267 H ASP 33 HN ASP 33 -1.275 24.419 -6.314 268 HA ASP 33 HA ASP 33 -2.957 26.034 -6.130 269 HB2 ASP 33 HB2 ASP 33 -3.652 24.478 -4.239 270 HB3 ASP 33 HB1 ASP 33 -2.804 25.564 -3.140 271 H GLY 34 HN GLY 34 0.009 26.661 -5.719 272 HA2 GLY 34 HA2 GLY 34 1.103 28.763 -5.627 273 HA3 GLY 34 HA1 GLY 34 -0.404 29.489 -5.064 274 H THR 35 HN THR 35 0.477 26.656 -3.365 275 HA THR 35 HA THR 35 1.835 28.236 -1.214 276 HB THR 35 HB THR 35 0.425 27.131 0.468 277 HG1 THR 35 HG1 THR 35 -0.841 26.056 -1.827 278 HG21 THR 35 HG21 THR 35 -0.265 29.314 -0.467 279 HG22 THR 35 HG22 THR 35 -1.661 28.335 -0.016 280 HG23 THR 35 HG23 THR 35 -1.193 28.479 -1.711 281 H THR 36 HN THR 36 3.268 27.034 0.059 282 HA THR 36 HA THR 36 4.285 24.584 -1.207 283 HB THR 36 HB THR 36 5.250 26.063 1.256 284 HG1 THR 36 HG1 THR 36 6.755 26.290 -0.961 285 HG21 THR 36 HG21 THR 36 7.397 24.899 0.685 286 HG22 THR 36 HG22 THR 36 6.515 23.963 -0.521 287 HG23 THR 36 HG23 THR 36 6.110 23.804 1.189 288 H LYS 37 HN LYS 37 3.848 22.541 -0.490 289 HA LYS 37 HA LYS 37 2.628 22.229 2.241 290 HB2 LYS 37 HB2 LYS 37 1.910 20.827 -0.345 291 HB3 LYS 37 HB1 LYS 37 1.341 20.315 1.246 292 HG2 LYS 37 HG2 LYS 37 0.340 22.553 1.596 293 HG3 LYS 37 HG1 LYS 37 0.879 23.035 -0.013 294 HD2 LYS 37 HD2 LYS 37 -0.475 21.231 -1.010 295 HD3 LYS 37 HD1 LYS 37 -1.019 20.753 0.597 296 HE2 LYS 37 HE2 LYS 37 -2.026 22.981 0.925 297 HE3 LYS 37 HE1 LYS 37 -1.484 23.463 -0.682 298 HZ1 LYS 37 HZ1 LYS 37 -2.765 21.196 -1.236 299 HZ2 LYS 37 HZ2 LYS 37 -3.506 22.725 -1.272 300 HZ3 LYS 37 HZ3 LYS 37 -3.674 21.726 0.094 301 H SER 38 HN SER 38 3.328 20.523 3.450 302 HA SER 38 HA SER 38 5.879 19.317 2.661 303 HB2 SER 38 HB2 SER 38 4.188 19.055 5.162 304 HB3 SER 38 HB1 SER 38 5.787 18.344 4.957 305 HG SER 38 HG SER 38 6.113 20.791 4.249 306 H VAL 39 HN VAL 39 6.211 17.164 2.178 307 HA VAL 39 HA VAL 39 3.888 15.294 2.302 308 HB VAL 39 HB VAL 39 3.836 16.021 0.019 309 HG11 VAL 39 HG11 VAL 39 5.925 15.924 -1.391 310 HG12 VAL 39 HG12 VAL 39 6.841 15.670 0.094 311 HG13 VAL 39 HG13 VAL 39 5.945 17.170 -0.143 312 HG21 VAL 39 HG21 VAL 39 4.244 13.981 -1.147 313 HG22 VAL 39 HG22 VAL 39 3.891 13.501 0.512 314 HG23 VAL 39 HG23 VAL 39 5.558 13.537 -0.061 315 H TYR 40 HN TYR 40 4.486 13.260 2.930 316 HA TYR 40 HA TYR 40 7.386 12.826 3.517 317 HB2 TYR 40 HB2 TYR 40 4.868 11.514 4.584 318 HB3 TYR 40 HB1 TYR 40 6.508 11.018 5.014 319 HD1 TYR 40 HD1 TYR 40 4.064 13.807 5.163 320 HD2 TYR 40 HD2 TYR 40 7.857 12.311 6.516 321 HE1 TYR 40 HE1 TYR 40 4.170 15.612 6.860 322 HE2 TYR 40 HE2 TYR 40 7.962 14.115 8.215 323 HH TYR 40 HH TYR 40 5.339 15.931 9.130 324 H GLN 41 HN GLN 41 8.482 11.251 2.457 325 HA GLN 41 HA GLN 41 6.941 9.344 0.726 326 HB2 GLN 41 HB2 GLN 41 9.529 10.814 0.166 327 HB3 GLN 41 HB1 GLN 41 8.931 9.473 -0.814 328 HG2 GLN 41 HG2 GLN 41 6.880 10.712 -1.311 329 HG3 GLN 41 HG1 GLN 41 7.406 12.036 -0.272 330 HE21 GLN 41 HE21 GLN 41 6.949 11.848 -3.324 331 HE22 GLN 41 HE22 GLN 41 8.383 12.470 -3.987 332 H GLY 42 HN GLY 42 8.032 7.291 0.366 333 HA2 GLY 42 HA2 GLY 42 10.429 6.583 1.779 334 HA3 GLY 42 HA1 GLY 42 9.019 6.102 2.725 335 H TYR 43 HN TYR 43 10.107 3.921 2.213 336 HA TYR 43 HA TYR 43 9.056 2.870 -0.406 337 HB2 TYR 43 HB2 TYR 43 11.505 2.082 1.193 338 HB3 TYR 43 HB1 TYR 43 10.863 1.127 -0.145 339 HD1 TYR 43 HD2 TYR 43 12.471 4.311 0.803 340 HD2 TYR 43 HD1 TYR 43 10.994 1.907 -2.435 341 HE1 TYR 43 HE2 TYR 43 13.638 5.780 -0.820 342 HE2 TYR 43 HE1 TYR 43 12.158 3.376 -4.058 343 HH TYR 43 HH TYR 43 13.171 5.413 -4.291 344 H ILE 44 HN ILE 44 7.853 0.986 -0.313 345 HA ILE 44 HA ILE 44 7.388 -0.186 2.419 346 HB ILE 44 HB ILE 44 5.482 1.244 1.611 347 HG12 ILE 44 HG12 ILE 44 4.782 -1.703 1.665 348 HG13 ILE 44 HG11 ILE 44 5.246 -0.802 3.110 349 HG21 ILE 44 HG21 ILE 44 5.917 0.576 -0.834 350 HG22 ILE 44 HG22 ILE 44 4.232 0.636 -0.316 351 HG23 ILE 44 HG23 ILE 44 5.058 -0.916 -0.458 352 HD11 ILE 44 HD11 ILE 44 2.778 -0.888 2.819 353 HD12 ILE 44 HD12 ILE 44 2.953 -0.062 1.272 354 HD13 ILE 44 HD13 ILE 44 3.396 0.762 2.765 355 H GLU 45 HN GLU 45 7.376 -2.433 2.480 356 HA GLU 45 HA GLU 45 7.578 -3.870 -0.155 357 HB2 GLU 45 HB2 GLU 45 9.359 -5.273 0.781 358 HB3 GLU 45 HB1 GLU 45 9.843 -3.578 0.786 359 HG2 GLU 45 HG2 GLU 45 9.118 -3.424 3.172 360 HG3 GLU 45 HG1 GLU 45 8.781 -5.156 3.147 361 H ASP 46 HN ASP 46 6.986 -6.117 -0.059 362 HA ASP 46 HA ASP 46 5.578 -7.036 2.392 363 HB2 ASP 46 HB2 ASP 46 3.971 -5.775 0.826 364 HB3 ASP 46 HB1 ASP 46 4.207 -7.106 -0.307 365 H ASP 47 HN ASP 47 4.284 -9.085 0.535 366 HA ASP 47 HA ASP 47 6.526 -10.998 0.585 367 HB2 ASP 47 HB2 ASP 47 4.212 -11.554 1.389 368 HB3 ASP 47 HB1 ASP 47 3.641 -11.382 -0.270 369 H THR 48 HN THR 48 4.826 -9.019 -1.719 370 HA THR 48 HA THR 48 5.735 -10.633 -4.034 371 HB THR 48 HB THR 48 4.630 -8.652 -5.291 372 HG1 THR 48 HG1 THR 48 3.138 -7.544 -3.892 373 HG21 THR 48 HG21 THR 48 2.929 -10.301 -3.400 374 HG22 THR 48 HG22 THR 48 3.579 -10.879 -4.935 375 HG23 THR 48 HG23 THR 48 2.402 -9.567 -4.914 376 H ALA 49 HN ALA 49 5.844 -7.096 -3.603 377 HA ALA 49 HA ALA 49 8.791 -7.124 -3.937 378 HB1 ALA 49 HB1 ALA 49 7.022 -5.543 -5.821 379 HB2 ALA 49 HB2 ALA 49 7.703 -7.117 -6.235 380 HB3 ALA 49 HB3 ALA 49 8.771 -5.754 -5.905 381 H ARG 50 HN ARG 50 8.670 -4.266 -4.736 382 HA ARG 50 HA ARG 50 7.464 -3.001 -2.325 383 HB2 ARG 50 HB2 ARG 50 9.562 -1.839 -1.816 384 HB3 ARG 50 HB1 ARG 50 9.812 -3.582 -1.753 385 HG2 ARG 50 HG2 ARG 50 10.684 -3.505 -4.093 386 HG3 ARG 50 HG1 ARG 50 10.531 -1.748 -4.065 387 HD2 ARG 50 HD2 ARG 50 12.048 -1.670 -2.098 388 HD3 ARG 50 HD1 ARG 50 12.257 -3.416 -2.213 389 HE ARG 50 HE ARG 50 13.406 -1.403 -4.037 390 HH11 ARG 50 HH21 ARG 50 12.612 -4.706 -3.392 391 HH12 ARG 50 HH22 ARG 50 13.766 -5.334 -4.519 392 HH21 ARG 50 HH11 ARG 50 14.911 -2.214 -5.505 393 HH22 ARG 50 HH12 ARG 50 15.064 -3.926 -5.714 394 H ILE 51 HN ILE 51 7.325 -0.630 -2.552 395 HA ILE 51 HA ILE 51 7.918 0.488 -5.210 396 HB ILE 51 HB ILE 51 5.687 -0.629 -5.467 397 HG12 ILE 51 HG12 ILE 51 5.455 2.391 -5.537 398 HG13 ILE 51 HG11 ILE 51 6.421 1.484 -6.700 399 HG21 ILE 51 HG21 ILE 51 4.689 1.505 -3.571 400 HG22 ILE 51 HG22 ILE 51 5.036 -0.143 -3.045 401 HG23 ILE 51 HG23 ILE 51 3.785 0.154 -4.254 402 HD11 ILE 51 HD11 ILE 51 4.119 1.949 -7.532 403 HD12 ILE 51 HD12 ILE 51 3.471 1.024 -6.176 404 HD13 ILE 51 HD13 ILE 51 4.452 0.222 -7.403 405 H ARG 52 HN ARG 52 7.469 2.824 -5.283 406 HA ARG 52 HA ARG 52 8.242 4.106 -2.789 407 HB2 ARG 52 HB2 ARG 52 9.059 4.868 -5.011 408 HB3 ARG 52 HB1 ARG 52 7.411 5.328 -5.439 409 HG2 ARG 52 HG2 ARG 52 7.346 6.932 -3.588 410 HG3 ARG 52 HG1 ARG 52 8.962 6.441 -3.081 411 HD2 ARG 52 HD2 ARG 52 9.135 8.488 -4.389 412 HD3 ARG 52 HD1 ARG 52 9.827 7.158 -5.320 413 HE ARG 52 HE ARG 52 7.066 7.401 -6.004 414 HH11 ARG 52 HH21 ARG 52 10.086 9.053 -6.251 415 HH12 ARG 52 HH22 ARG 52 9.682 9.840 -7.741 416 HH21 ARG 52 HH11 ARG 52 6.527 8.418 -7.948 417 HH22 ARG 52 HH12 ARG 52 7.668 9.480 -8.702 418 H ILE 53 HN ILE 53 6.974 5.432 -1.487 419 HA ILE 53 HA ILE 53 4.063 5.668 -2.173 420 HB ILE 53 HB ILE 53 3.563 5.301 0.227 421 HG12 ILE 53 HG12 ILE 53 6.480 4.493 0.469 422 HG13 ILE 53 HG11 ILE 53 5.854 6.037 1.039 423 HG21 ILE 53 HG21 ILE 53 3.751 2.935 0.141 424 HG22 ILE 53 HG22 ILE 53 5.247 3.006 -0.788 425 HG23 ILE 53 HG23 ILE 53 3.715 3.435 -1.549 426 HD11 ILE 53 HD11 ILE 53 4.461 5.001 2.658 427 HD12 ILE 53 HD12 ILE 53 6.005 4.160 2.773 428 HD13 ILE 53 HD13 ILE 53 4.657 3.410 1.925 429 H SER 54 HN SER 54 3.035 7.551 -1.292 430 HA SER 54 HA SER 54 4.817 9.599 -0.077 431 HB2 SER 54 HB2 SER 54 3.939 11.293 -1.690 432 HB3 SER 54 HB1 SER 54 4.939 10.066 -2.461 433 HG SER 54 HG SER 54 2.113 9.930 -2.258 434 H SER 55 HN SER 55 3.787 10.700 1.493 435 HA SER 55 HA SER 55 0.796 10.495 1.646 436 HB2 SER 55 HB2 SER 55 1.776 9.185 3.423 437 HB3 SER 55 HB1 SER 55 2.886 10.489 3.839 438 HG SER 55 HG SER 55 0.148 10.216 4.323 439 H PHE 56 HN PHE 56 -0.249 12.417 1.633 440 HA PHE 56 HA PHE 56 1.386 14.890 1.717 441 HB2 PHE 56 HB2 PHE 56 -1.501 14.338 0.974 442 HB3 PHE 56 HB1 PHE 56 -0.784 15.951 0.993 443 HD1 PHE 56 HD2 PHE 56 1.527 16.170 -0.270 444 HD2 PHE 56 HD1 PHE 56 -1.379 13.099 -1.021 445 HE1 PHE 56 HE2 PHE 56 2.519 15.781 -2.509 446 HE2 PHE 56 HE1 PHE 56 -0.387 12.712 -3.261 447 HZ PHE 56 HZ PHE 56 1.561 14.051 -4.005 448 H GLY 57 HN GLY 57 1.554 16.052 3.556 449 HA2 GLY 57 HA2 GLY 57 0.869 17.144 5.531 450 HA3 GLY 57 HA1 GLY 57 -0.751 16.494 5.281 451 H LYS 58 HN LYS 58 -0.417 13.795 5.346 452 HA LYS 58 HA LYS 58 0.104 13.358 8.172 453 HB2 LYS 58 HB2 LYS 58 -0.673 11.505 5.913 454 HB3 LYS 58 HB1 LYS 58 -0.508 10.982 7.591 455 HG2 LYS 58 HG2 LYS 58 -2.174 12.670 8.280 456 HG3 LYS 58 HG1 LYS 58 -2.344 13.183 6.601 457 HD2 LYS 58 HD2 LYS 58 -3.159 10.969 5.971 458 HD3 LYS 58 HD1 LYS 58 -2.909 10.384 7.616 459 HE2 LYS 58 HE2 LYS 58 -5.270 10.967 7.283 460 HE3 LYS 58 HE1 LYS 58 -4.531 12.068 8.445 461 HZ1 LYS 58 HZ1 LYS 58 -4.507 13.786 6.946 462 HZ2 LYS 58 HZ2 LYS 58 -5.949 13.001 6.508 463 HZ3 LYS 58 HZ3 LYS 58 -4.538 12.768 5.590 464 H GLN 59 HN GLN 59 1.876 12.491 9.113 465 HA GLN 59 HA GLN 59 4.239 11.945 7.414 466 HB2 GLN 59 HB2 GLN 59 5.472 12.009 9.554 467 HB3 GLN 59 HB1 GLN 59 4.494 13.459 9.334 468 HG2 GLN 59 HG2 GLN 59 2.703 12.423 10.723 469 HG3 GLN 59 HG1 GLN 59 3.763 11.042 11.013 470 HE21 GLN 59 HE21 GLN 59 3.507 11.827 13.379 471 HE22 GLN 59 HE22 GLN 59 4.579 13.027 13.919 472 H LEU 60 HN LEU 60 5.571 10.029 7.857 473 HA LEU 60 HA LEU 60 3.969 7.669 8.813 474 HB2 LEU 60 HB2 LEU 60 6.059 7.750 6.612 475 HB3 LEU 60 HB1 LEU 60 5.138 6.336 7.122 476 HG LEU 60 HG LEU 60 3.953 8.876 5.966 477 HD11 LEU 60 HD11 LEU 60 3.370 7.260 4.072 478 HD12 LEU 60 HD12 LEU 60 4.525 6.144 4.802 479 HD13 LEU 60 HD13 LEU 60 5.068 7.713 4.207 480 HD21 LEU 60 HD21 LEU 60 2.767 6.328 7.071 481 HD22 LEU 60 HD22 LEU 60 1.930 7.195 5.784 482 HD23 LEU 60 HD23 LEU 60 2.246 7.995 7.318 483 H GLN 61 HN GLN 61 5.193 6.014 9.879 484 HA GLN 61 HA GLN 61 7.676 7.060 11.167 485 HB2 GLN 61 HB2 GLN 61 5.706 4.898 11.946 486 HB3 GLN 61 HB1 GLN 61 7.214 5.200 12.814 487 HG2 GLN 61 HG2 GLN 61 6.530 7.518 13.241 488 HG3 GLN 61 HG1 GLN 61 5.041 7.259 12.334 489 HE21 GLN 61 HE21 GLN 61 3.408 7.225 13.903 490 HE22 GLN 61 HE22 GLN 61 3.440 6.267 15.304 491 H ASP 62 HN ASP 62 9.544 5.830 11.240 492 HA ASP 62 HA ASP 62 10.130 4.211 8.954 493 HB2 ASP 62 HB2 ASP 62 11.798 5.600 10.121 494 HB3 ASP 62 HB1 ASP 62 11.675 4.557 11.537 495 H SER 63 HN SER 63 10.236 2.076 8.665 496 HA SER 63 HA SER 63 9.701 -0.164 8.979 497 HB2 SER 63 HB2 SER 63 11.098 0.408 11.603 498 HB3 SER 63 HB1 SER 63 10.810 -1.195 10.932 499 HG SER 63 HG SER 63 11.906 -0.114 8.982 500 H ASP 64 HN ASP 64 7.407 0.306 9.049 501 HA ASP 64 HA ASP 64 6.239 -0.664 11.586 502 HB2 ASP 64 HB2 ASP 64 4.605 1.188 11.737 503 HB3 ASP 64 HB1 ASP 64 6.259 1.766 11.944 504 H VAL 65 HN VAL 65 4.702 -2.118 11.086 505 HA VAL 65 HA VAL 65 3.795 -2.401 8.318 506 HB VAL 65 HB VAL 65 2.806 -3.937 10.722 507 HG11 VAL 65 HG11 VAL 65 2.451 -5.702 9.054 508 HG12 VAL 65 HG12 VAL 65 3.140 -4.676 7.797 509 HG13 VAL 65 HG13 VAL 65 1.613 -4.231 8.559 510 HG21 VAL 65 HG21 VAL 65 5.364 -4.218 9.129 511 HG22 VAL 65 HG22 VAL 65 4.664 -5.570 10.020 512 HG23 VAL 65 HG23 VAL 65 5.177 -4.118 10.880 513 H VAL 66 HN VAL 66 2.080 -1.312 7.529 514 HA VAL 66 HA VAL 66 -0.233 -0.793 9.341 515 HB VAL 66 HB VAL 66 -0.393 1.505 8.686 516 HG11 VAL 66 HG11 VAL 66 1.367 0.818 10.413 517 HG12 VAL 66 HG12 VAL 66 1.588 2.404 9.676 518 HG13 VAL 66 HG13 VAL 66 2.563 1.036 9.137 519 HG21 VAL 66 HG21 VAL 66 0.204 1.427 6.366 520 HG22 VAL 66 HG22 VAL 66 1.804 0.785 6.734 521 HG23 VAL 66 HG23 VAL 66 1.411 2.456 7.138 522 H ARG 67 HN ARG 67 -2.174 -0.168 8.155 523 HA ARG 67 HA ARG 67 -2.321 -1.459 5.453 524 HB2 ARG 67 HB2 ARG 67 -3.564 -2.740 7.093 525 HB3 ARG 67 HB1 ARG 67 -4.345 -1.285 7.708 526 HG2 ARG 67 HG2 ARG 67 -5.545 -0.977 5.614 527 HG3 ARG 67 HG1 ARG 67 -4.679 -2.320 4.873 528 HD2 ARG 67 HD2 ARG 67 -5.641 -3.819 6.654 529 HD3 ARG 67 HD1 ARG 67 -6.618 -2.456 7.199 530 HE ARG 67 HE ARG 67 -6.939 -2.946 4.357 531 HH11 ARG 67 HH21 ARG 67 -7.843 -3.896 7.547 532 HH12 ARG 67 HH22 ARG 67 -9.358 -4.577 7.056 533 HH21 ARG 67 HH11 ARG 67 -8.908 -3.831 3.700 534 HH22 ARG 67 HH12 ARG 67 -9.960 -4.541 4.878 535 H ILE 68 HN ILE 68 -2.790 -0.053 3.851 536 HA ILE 68 HA ILE 68 -4.067 2.570 4.566 537 HB ILE 68 HB ILE 68 -2.378 1.816 2.158 538 HG12 ILE 68 HG12 ILE 68 -1.731 3.662 4.473 539 HG13 ILE 68 HG11 ILE 68 -1.204 1.980 4.404 540 HG21 ILE 68 HG21 ILE 68 -2.424 4.282 1.760 541 HG22 ILE 68 HG22 ILE 68 -3.585 4.446 3.075 542 HG23 ILE 68 HG23 ILE 68 -4.020 3.549 1.623 543 HD11 ILE 68 HD11 ILE 68 0.037 2.402 2.356 544 HD12 ILE 68 HD12 ILE 68 0.522 3.592 3.565 545 HD13 ILE 68 HD13 ILE 68 -0.590 4.049 2.274 546 H ASP 69 HN ASP 69 -6.124 2.814 3.913 547 HA ASP 69 HA ASP 69 -7.172 1.022 1.747 548 HB2 ASP 69 HB2 ASP 69 -8.540 2.345 4.097 549 HB3 ASP 69 HB1 ASP 69 -9.417 1.570 2.781 550 H ASN 70 HN ASN 70 -8.331 1.932 0.059 551 HA ASN 70 HA ASN 70 -9.043 3.568 -1.447 552 HB2 ASN 70 HB2 ASN 70 -10.282 4.366 0.674 553 HB3 ASN 70 HB1 ASN 70 -8.998 5.562 0.821 554 HD21 ASN 70 HD21 ASN 70 -10.270 7.421 0.266 555 HD22 ASN 70 HD22 ASN 70 -10.949 7.636 -1.274 556 H ALA 71 HN ALA 71 -6.267 3.033 -1.066 557 HA ALA 71 HA ALA 71 -4.727 5.472 -0.951 558 HB1 ALA 71 HB1 ALA 71 -2.872 4.124 -1.571 559 HB2 ALA 71 HB2 ALA 71 -3.894 2.951 -2.401 560 HB3 ALA 71 HB3 ALA 71 -3.905 3.040 -0.643 561 H ARG 72 HN ARG 72 -4.012 6.772 -2.664 562 HA ARG 72 HA ARG 72 -5.516 6.461 -5.212 563 HB2 ARG 72 HB2 ARG 72 -5.464 8.636 -3.887 564 HB3 ARG 72 HB1 ARG 72 -3.770 8.778 -4.355 565 HG2 ARG 72 HG2 ARG 72 -4.377 8.745 -6.717 566 HG3 ARG 72 HG1 ARG 72 -6.071 8.477 -6.306 567 HD2 ARG 72 HD2 ARG 72 -5.728 10.845 -6.802 568 HD3 ARG 72 HD1 ARG 72 -6.080 10.654 -5.083 569 HE ARG 72 HE ARG 72 -3.240 10.576 -5.507 570 HH11 ARG 72 HH21 ARG 72 -5.991 12.665 -5.506 571 HH12 ARG 72 HH22 ARG 72 -5.080 14.076 -5.079 572 HH21 ARG 72 HH11 ARG 72 -2.045 12.405 -4.950 573 HH22 ARG 72 HH12 ARG 72 -2.847 13.930 -4.766 574 H VAL 73 HN VAL 73 -4.513 5.661 -6.976 575 HA VAL 73 HA VAL 73 -1.624 5.112 -6.884 576 HB VAL 73 HB VAL 73 -3.604 4.579 -9.116 577 HG11 VAL 73 HG11 VAL 73 -1.151 4.460 -9.666 578 HG12 VAL 73 HG12 VAL 73 -1.979 2.912 -9.824 579 HG13 VAL 73 HG13 VAL 73 -0.975 3.233 -8.412 580 HG21 VAL 73 HG21 VAL 73 -3.661 2.270 -8.095 581 HG22 VAL 73 HG22 VAL 73 -4.427 3.514 -7.107 582 HG23 VAL 73 HG23 VAL 73 -2.813 2.933 -6.697 583 H ALA 74 HN ALA 74 -0.100 6.347 -7.862 584 HA ALA 74 HA ALA 74 -0.883 8.154 -10.091 585 HB1 ALA 74 HB1 ALA 74 0.573 9.070 -7.589 586 HB2 ALA 74 HB2 ALA 74 -1.060 9.540 -8.061 587 HB3 ALA 74 HB3 ALA 74 0.320 10.044 -9.037 588 H GLN 75 HN GLN 75 0.778 8.412 -11.566 589 HA GLN 75 HA GLN 75 3.342 6.988 -10.943 590 HB2 GLN 75 HB2 GLN 75 3.484 6.364 -13.248 591 HB3 GLN 75 HB1 GLN 75 1.853 5.965 -12.709 592 HG2 GLN 75 HG2 GLN 75 1.299 7.082 -14.649 593 HG3 GLN 75 HG1 GLN 75 1.373 8.470 -13.569 594 HE21 GLN 75 HE21 GLN 75 3.436 6.569 -15.816 595 HE22 GLN 75 HE22 GLN 75 4.402 7.882 -16.285 596 H PHE 76 HN PHE 76 5.228 8.089 -11.286 597 HA PHE 76 HA PHE 76 5.072 10.771 -12.612 598 HB2 PHE 76 HB2 PHE 76 6.390 10.093 -9.966 599 HB3 PHE 76 HB1 PHE 76 6.646 11.605 -10.843 600 HD1 PHE 76 HD2 PHE 76 4.593 13.012 -11.456 601 HD2 PHE 76 HD1 PHE 76 4.479 9.819 -8.585 602 HE1 PHE 76 HE2 PHE 76 2.487 13.928 -10.521 603 HE2 PHE 76 HE1 PHE 76 2.371 10.735 -7.651 604 HZ PHE 76 HZ PHE 76 1.376 12.791 -8.619 605 H ASN 77 HN ASN 77 6.708 11.180 -13.987 606 HA ASN 77 HA ASN 77 8.576 10.802 -15.328 607 HB2 ASN 77 HB2 ASN 77 9.681 11.230 -13.090 608 HB3 ASN 77 HB1 ASN 77 9.766 9.484 -12.876 609 HD21 ASN 77 HD21 ASN 77 12.066 9.242 -13.119 610 HD22 ASN 77 HD22 ASN 77 12.881 9.619 -14.559 611 H GLY 78 HN GLY 78 6.440 8.687 -14.988 612 HA2 GLY 78 HA2 GLY 78 6.107 6.655 -16.157 613 HA3 GLY 78 HA1 GLY 78 7.833 6.623 -16.523 614 H TYR 79 HN TYR 79 6.499 6.963 -13.266 615 HA TYR 79 HA TYR 79 7.268 4.136 -12.655 616 HB2 TYR 79 HB2 TYR 79 8.268 6.628 -11.257 617 HB3 TYR 79 HB1 TYR 79 8.335 5.022 -10.524 618 HD1 TYR 79 HD2 TYR 79 9.752 3.261 -11.461 619 HD2 TYR 79 HD1 TYR 79 9.657 7.191 -13.168 620 HE1 TYR 79 HE2 TYR 79 11.808 2.749 -12.746 621 HE2 TYR 79 HE1 TYR 79 11.714 6.688 -14.460 622 HH TYR 79 HH TYR 79 13.261 3.479 -14.250 623 H LEU 80 HN LEU 80 5.582 3.200 -11.686 624 HA LEU 80 HA LEU 80 3.300 4.678 -10.760 625 HB2 LEU 80 HB2 LEU 80 4.031 1.818 -10.084 626 HB3 LEU 80 HB1 LEU 80 2.418 2.529 -10.095 627 HG LEU 80 HG LEU 80 4.226 2.067 -12.476 628 HD11 LEU 80 HD11 LEU 80 2.284 0.695 -13.243 629 HD12 LEU 80 HD12 LEU 80 1.526 0.965 -11.673 630 HD13 LEU 80 HD13 LEU 80 3.045 0.073 -11.778 631 HD21 LEU 80 HD21 LEU 80 2.097 2.928 -13.719 632 HD22 LEU 80 HD22 LEU 80 3.203 4.099 -13.017 633 HD23 LEU 80 HD23 LEU 80 1.708 3.694 -12.176 634 H SER 81 HN SER 81 2.623 5.169 -8.688 635 HA SER 81 HA SER 81 4.222 4.324 -6.365 636 HB2 SER 81 HB2 SER 81 3.920 7.255 -7.100 637 HB3 SER 81 HB1 SER 81 4.634 6.637 -5.613 638 HG SER 81 HG SER 81 5.750 6.959 -8.033 639 H LEU 82 HN LEU 82 3.058 4.746 -4.364 640 HA LEU 82 HA LEU 82 0.125 5.115 -4.828 641 HB2 LEU 82 HB2 LEU 82 1.604 4.003 -2.426 642 HB3 LEU 82 HB1 LEU 82 -0.142 3.977 -2.686 643 HG LEU 82 HG LEU 82 1.921 2.620 -4.449 644 HD11 LEU 82 HD11 LEU 82 1.447 1.658 -2.109 645 HD12 LEU 82 HD12 LEU 82 1.242 0.566 -3.477 646 HD13 LEU 82 HD13 LEU 82 -0.170 1.299 -2.718 647 HD21 LEU 82 HD21 LEU 82 -1.073 2.956 -4.624 648 HD22 LEU 82 HD22 LEU 82 -0.320 1.501 -5.277 649 HD23 LEU 82 HD23 LEU 82 0.136 3.081 -5.902 650 H SER 83 HN SER 83 -0.819 6.944 -4.188 651 HA SER 83 HA SER 83 0.672 8.778 -2.352 652 HB2 SER 83 HB2 SER 83 -1.389 9.229 -4.512 653 HB3 SER 83 HB1 SER 83 -1.008 10.466 -3.316 654 HG SER 83 HG SER 83 0.247 10.460 -5.350 655 H VAL 84 HN VAL 84 -0.123 9.012 -0.342 656 HA VAL 84 HA VAL 84 -2.848 7.955 0.268 657 HB VAL 84 HB VAL 84 -0.687 8.845 2.194 658 HG11 VAL 84 HG11 VAL 84 -3.166 7.131 2.437 659 HG12 VAL 84 HG12 VAL 84 -2.834 8.661 3.253 660 HG13 VAL 84 HG13 VAL 84 -1.917 7.216 3.679 661 HG21 VAL 84 HG21 VAL 84 0.233 7.106 0.751 662 HG22 VAL 84 HG22 VAL 84 -1.209 6.119 0.982 663 HG23 VAL 84 HG23 VAL 84 -0.121 6.419 2.336 664 H GLY 85 HN GLY 85 -4.357 9.535 -0.005 665 HA2 GLY 85 HA2 GLY 85 -3.701 12.356 0.595 666 HA3 GLY 85 HA1 GLY 85 -5.177 11.770 -0.168 667 H ASP 86 HN ASP 86 -5.746 13.537 1.638 668 HA ASP 86 HA ASP 86 -5.888 12.649 4.373 669 HB2 ASP 86 HB2 ASP 86 -7.536 14.510 4.615 670 HB3 ASP 86 HB1 ASP 86 -6.051 15.018 3.811 671 H SER 87 HN SER 87 -7.777 11.962 1.553 672 HA SER 87 HA SER 87 -10.163 11.137 3.039 673 HB2 SER 87 HB2 SER 87 -10.954 10.373 0.847 674 HB3 SER 87 HB1 SER 87 -10.272 11.991 0.707 675 HG SER 87 HG SER 87 -9.513 9.707 -0.493 676 H SER 88 HN SER 88 -7.108 9.803 2.504 677 HA SER 88 HA SER 88 -7.945 7.014 2.286 678 HB2 SER 88 HB2 SER 88 -5.814 7.673 1.319 679 HB3 SER 88 HB1 SER 88 -5.257 8.284 2.874 680 HG SER 88 HG SER 88 -5.327 5.733 1.905 681 H ARG 89 HN ARG 89 -7.464 5.399 3.946 682 HA ARG 89 HA ARG 89 -7.592 6.526 6.741 683 HB2 ARG 89 HB2 ARG 89 -9.658 5.310 5.837 684 HB3 ARG 89 HB1 ARG 89 -8.677 3.848 5.853 685 HG2 ARG 89 HG2 ARG 89 -8.268 4.099 8.249 686 HG3 ARG 89 HG1 ARG 89 -9.164 5.618 8.263 687 HD2 ARG 89 HD2 ARG 89 -10.641 3.856 9.049 688 HD3 ARG 89 HD1 ARG 89 -11.183 4.361 7.447 689 HE ARG 89 HE ARG 89 -9.332 2.153 7.252 690 HH11 ARG 89 HH21 ARG 89 -12.570 3.054 8.051 691 HH12 ARG 89 HH22 ARG 89 -13.234 1.503 7.660 692 HH21 ARG 89 HH11 ARG 89 -10.189 0.126 6.746 693 HH22 ARG 89 HH12 ARG 89 -11.889 -0.151 6.924 694 H ILE 90 HN ILE 90 -5.901 5.955 8.012 695 HA ILE 90 HA ILE 90 -4.137 3.701 7.099 696 HB ILE 90 HB ILE 90 -3.488 6.143 8.776 697 HG12 ILE 90 HG12 ILE 90 -2.540 5.349 6.008 698 HG13 ILE 90 HG11 ILE 90 -3.866 6.475 6.296 699 HG21 ILE 90 HG21 ILE 90 -1.124 5.275 8.437 700 HG22 ILE 90 HG22 ILE 90 -1.840 3.770 7.862 701 HG23 ILE 90 HG23 ILE 90 -2.122 4.305 9.518 702 HD11 ILE 90 HD11 ILE 90 -2.252 7.830 7.721 703 HD12 ILE 90 HD12 ILE 90 -1.899 7.810 5.993 704 HD13 ILE 90 HD13 ILE 90 -0.966 6.797 7.095 705 H GLU 91 HN GLU 91 -3.953 1.983 8.414 706 HA GLU 91 HA GLU 91 -4.760 2.259 11.291 707 HB2 GLU 91 HB2 GLU 91 -6.544 1.158 9.891 708 HB3 GLU 91 HB1 GLU 91 -5.380 -0.103 9.488 709 HG2 GLU 91 HG2 GLU 91 -6.685 -0.906 11.345 710 HG3 GLU 91 HG1 GLU 91 -5.089 -0.499 11.973 711 H SER 92 HN SER 92 -2.934 1.878 12.435 712 HA SER 92 HA SER 92 -0.737 0.326 11.295 713 HB2 SER 92 HB2 SER 92 -1.202 1.771 13.896 714 HB3 SER 92 HB1 SER 92 0.193 0.713 13.698 715 HG SER 92 HG SER 92 -0.158 3.206 12.821 716 H VAL 93 HN VAL 93 -0.355 -1.833 11.627 717 HA VAL 93 HA VAL 93 -1.838 -3.209 13.845 718 HB VAL 93 HB VAL 93 -1.524 -4.164 10.983 719 HG11 VAL 93 HG11 VAL 93 -2.588 -5.475 13.495 720 HG12 VAL 93 HG12 VAL 93 -1.320 -6.069 12.421 721 HG13 VAL 93 HG13 VAL 93 -2.997 -6.047 11.877 722 HG21 VAL 93 HG21 VAL 93 -3.872 -3.235 12.658 723 HG22 VAL 93 HG22 VAL 93 -4.068 -4.141 11.158 724 HG23 VAL 93 HG23 VAL 93 -3.302 -2.552 11.135 725 H ASN 94 HN ASN 94 -0.557 -4.479 15.063 726 HA ASN 94 HA ASN 94 1.373 -5.530 15.855 727 HB2 ASN 94 HB2 ASN 94 1.557 -6.225 12.910 728 HB3 ASN 94 HB1 ASN 94 2.604 -6.916 14.149 729 HD21 ASN 94 HD21 ASN 94 0.382 -6.937 16.195 730 HD22 ASN 94 HD22 ASN 94 -0.638 -8.213 15.737 731 H VAL 95 HN VAL 95 1.561 -2.734 15.264 732 HA VAL 95 HA VAL 95 3.931 -2.069 13.811 733 HB VAL 95 HB VAL 95 2.275 -0.378 14.395 734 HG11 VAL 95 HG11 VAL 95 1.695 -1.479 16.614 735 HG12 VAL 95 HG12 VAL 95 1.814 0.279 16.653 736 HG13 VAL 95 HG13 VAL 95 3.135 -0.708 17.278 737 HG21 VAL 95 HG21 VAL 95 3.756 1.364 15.093 738 HG22 VAL 95 HG22 VAL 95 4.755 0.206 14.215 739 HG23 VAL 95 HG23 VAL 95 4.780 0.233 15.979 740 H ASN 96 HN ASN 96 6.066 -2.110 14.395 741 HA ASN 96 HA ASN 96 6.758 -3.357 17.000 742 HB2 ASN 96 HB2 ASN 96 8.372 -2.774 14.501 743 HB3 ASN 96 HB1 ASN 96 9.054 -3.482 15.966 744 HD21 ASN 96 HD21 ASN 96 6.439 -4.989 16.470 745 HD22 ASN 96 HD22 ASN 96 6.475 -6.281 15.372 746 H ILE 97 HN ILE 97 8.272 -2.406 18.427 747 HA ILE 97 HA ILE 97 8.775 0.528 18.030 748 HB ILE 97 HB ILE 97 8.150 -0.897 20.630 749 HG12 ILE 97 HG12 ILE 97 6.244 -0.531 18.854 750 HG13 ILE 97 HG11 ILE 97 5.959 -0.066 20.525 751 HG21 ILE 97 HG21 ILE 97 7.878 1.584 21.351 752 HG22 ILE 97 HG22 ILE 97 8.827 1.952 19.913 753 HG23 ILE 97 HG23 ILE 97 9.511 0.943 21.186 754 HD11 ILE 97 HD11 ILE 97 6.180 2.228 20.059 755 HD12 ILE 97 HD12 ILE 97 5.327 1.619 18.643 756 HD13 ILE 97 HD13 ILE 97 7.054 1.942 18.557 757 HA PRO 98 HA PRO 98 12.691 -1.881 18.865 758 HB2 PRO 98 HB2 PRO 98 14.113 -1.014 16.695 759 HB3 PRO 98 HB1 PRO 98 13.027 -2.416 16.635 760 HG2 PRO 98 HG2 PRO 98 12.546 0.386 15.720 761 HG3 PRO 98 HG1 PRO 98 12.094 -1.147 14.949 762 HD2 PRO 98 HD2 PRO 98 10.326 0.368 16.390 763 HD3 PRO 98 HD1 PRO 98 10.189 -1.398 16.247 764 H LEU 99 HN LEU 99 14.747 -0.983 19.575 765 HA LEU 99 HA LEU 99 14.497 1.658 20.709 766 HB2 LEU 99 HB2 LEU 99 16.973 -0.070 20.438 767 HB3 LEU 99 HB1 LEU 99 16.767 1.289 21.540 768 HG LEU 99 HG LEU 99 15.110 -1.251 21.568 769 HD11 LEU 99 HD11 LEU 99 17.412 -1.641 22.317 770 HD12 LEU 99 HD12 LEU 99 16.315 -1.693 23.696 771 HD13 LEU 99 HD13 LEU 99 17.306 -0.263 23.413 772 HD21 LEU 99 HD21 LEU 99 13.706 0.417 22.467 773 HD22 LEU 99 HD22 LEU 99 15.055 1.304 23.181 774 HD23 LEU 99 HD23 LEU 99 14.512 -0.212 23.900 775 H GLU 100 HN GLU 100 15.583 3.555 20.175 776 HA GLU 100 HA GLU 100 17.290 3.619 17.754 777 HB2 GLU 100 HB2 GLU 100 14.944 3.919 16.943 778 HB3 GLU 100 HB1 GLU 100 14.777 5.307 18.018 779 HG2 GLU 100 HG2 GLU 100 16.618 6.451 16.865 780 HG3 GLU 100 HG1 GLU 100 16.843 5.053 15.811 781 H HIS 101 HN HIS 101 16.074 4.989 20.711 782 HA HIS 101 HA HIS 101 17.726 7.421 20.470 783 HB2 HIS 101 HB2 HIS 101 16.859 7.934 22.733 784 HB3 HIS 101 HB1 HIS 101 15.558 7.589 21.595 785 HD1 HIS 101 HD1 HIS 101 17.712 5.546 24.014 786 HD2 HIS 101 HD2 HIS 101 13.777 5.795 22.662 787 HE1 HIS 101 HE1 HIS 101 16.408 3.776 25.272 788 H HIS 102 HN HIS 102 19.644 7.772 21.533 789 HA HIS 102 HA HIS 102 20.647 5.805 23.497 790 HB2 HIS 102 HB2 HIS 102 22.746 5.443 22.223 791 HB3 HIS 102 HB1 HIS 102 21.346 4.846 21.337 792 HD1 HIS 102 HD1 HIS 102 20.359 6.598 19.483 793 HD2 HIS 102 HD2 HIS 102 24.251 7.290 20.806 794 HE1 HIS 102 HE1 HIS 102 21.435 8.125 17.774 795 H HIS 103 HN HIS 103 19.863 8.576 23.647 796 HA HIS 103 HA HIS 103 22.368 9.699 24.733 797 HB2 HIS 103 HB2 HIS 103 22.261 10.438 22.324 798 HB3 HIS 103 HB1 HIS 103 20.740 11.251 22.694 799 HD1 HIS 103 HD1 HIS 103 20.834 13.345 24.230 800 HD2 HIS 103 HD2 HIS 103 24.576 11.695 23.415 801 HE1 HIS 103 HE1 HIS 103 22.548 15.042 25.001 802 H HIS 104 HN HIS 104 19.063 10.793 23.859 803 HA HIS 104 HA HIS 104 18.754 12.389 26.226 804 HB2 HIS 104 HB2 HIS 104 17.407 12.725 24.175 805 HB3 HIS 104 HB1 HIS 104 16.615 11.172 24.450 806 HD1 HIS 104 HD1 HIS 104 17.170 14.449 26.333 807 HD2 HIS 104 HD2 HIS 104 14.353 11.393 26.018 808 HE1 HIS 104 HE1 HIS 104 15.214 15.125 27.793 809 H HIS 105 HN HIS 105 17.762 9.080 25.405 810 HA HIS 105 HA HIS 105 16.750 7.415 26.726 811 HB2 HIS 105 HB2 HIS 105 18.039 6.935 28.781 812 HB3 HIS 105 HB1 HIS 105 19.099 7.265 27.413 813 HD1 HIS 105 HD1 HIS 105 17.428 9.370 30.142 814 HD2 HIS 105 HD2 HIS 105 21.064 9.049 28.127 815 HE1 HIS 105 HE1 HIS 105 18.954 11.132 31.132 816 H HIS 106 HN HIS 106 16.386 7.231 29.495 817 HA HIS 106 HA HIS 106 14.902 9.603 30.403 818 HB2 HIS 106 HB2 HIS 106 13.522 6.996 29.696 819 HB3 HIS 106 HB1 HIS 106 12.787 8.254 30.689 820 HD1 HIS 106 HD1 HIS 106 13.951 7.558 27.173 821 HD2 HIS 106 HD2 HIS 106 11.939 10.550 29.264 822 HE1 HIS 106 HE1 HIS 106 13.031 9.153 25.433 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 -9.970 1.574 -1.254 2 H2 SER 1 HT2 SER 1 -9.579 1.475 -2.905 3 H3 SER 1 HT3 SER 1 -9.350 0.131 -1.892 4 HA SER 1 HA SER 1 -11.988 0.737 -1.561 5 HB2 SER 1 HB2 SER 1 -11.992 2.228 -3.463 6 HB3 SER 1 HB1 SER 1 -11.108 1.064 -4.443 7 HG SER 1 HG SER 1 -13.688 1.307 -4.256 8 H ASP 2 HN ASP 2 -9.363 -1.109 -2.313 9 HA ASP 2 HA ASP 2 -10.763 -3.584 -1.992 10 HB2 ASP 2 HB2 ASP 2 -10.289 -4.549 -4.252 11 HB3 ASP 2 HB1 ASP 2 -11.488 -3.258 -4.294 12 H LEU 3 HN LEU 3 -9.303 -5.186 -1.424 13 HA LEU 3 HA LEU 3 -6.547 -4.364 -1.002 14 HB2 LEU 3 HB2 LEU 3 -7.667 -5.779 0.638 15 HB3 LEU 3 HB1 LEU 3 -7.974 -7.011 -0.584 16 HG LEU 3 HG LEU 3 -5.575 -7.421 -0.827 17 HD11 LEU 3 HD11 LEU 3 -4.496 -5.363 -0.496 18 HD12 LEU 3 HD12 LEU 3 -4.093 -6.232 0.982 19 HD13 LEU 3 HD13 LEU 3 -5.377 -5.023 0.993 20 HD21 LEU 3 HD21 LEU 3 -6.246 -7.299 2.124 21 HD22 LEU 3 HD22 LEU 3 -5.190 -8.454 1.309 22 HD23 LEU 3 HD23 LEU 3 -6.931 -8.499 1.028 23 H VAL 4 HN VAL 4 -4.922 -4.589 -2.450 24 HA VAL 4 HA VAL 4 -5.025 -6.847 -4.398 25 HB VAL 4 HB VAL 4 -4.304 -5.318 -6.211 26 HG11 VAL 4 HG11 VAL 4 -6.518 -4.297 -6.564 27 HG12 VAL 4 HG12 VAL 4 -6.908 -4.543 -4.861 28 HG13 VAL 4 HG13 VAL 4 -6.683 -5.931 -5.924 29 HG21 VAL 4 HG21 VAL 4 -4.734 -2.851 -5.786 30 HG22 VAL 4 HG22 VAL 4 -3.318 -3.511 -4.969 31 HG23 VAL 4 HG23 VAL 4 -4.809 -3.237 -4.068 32 H LYS 5 HN LYS 5 -2.916 -7.197 -5.442 33 HA LYS 5 HA LYS 5 -0.777 -7.068 -3.466 34 HB2 LYS 5 HB2 LYS 5 -1.175 -8.302 -6.177 35 HB3 LYS 5 HB1 LYS 5 0.467 -8.156 -5.554 36 HG2 LYS 5 HG2 LYS 5 -0.506 -10.339 -4.954 37 HG3 LYS 5 HG1 LYS 5 -0.202 -9.371 -3.510 38 HD2 LYS 5 HD2 LYS 5 -2.534 -8.726 -3.378 39 HD3 LYS 5 HD1 LYS 5 -2.881 -9.517 -4.916 40 HE2 LYS 5 HE2 LYS 5 -2.289 -11.694 -3.941 41 HE3 LYS 5 HE1 LYS 5 -1.903 -10.911 -2.408 42 HZ1 LYS 5 HZ1 LYS 5 -4.542 -11.139 -3.726 43 HZ2 LYS 5 HZ2 LYS 5 -4.249 -10.032 -2.472 44 HZ3 LYS 5 HZ3 LYS 5 -4.087 -11.700 -2.193 45 H ILE 6 HN ILE 6 1.340 -6.152 -3.903 46 HA ILE 6 HA ILE 6 1.274 -3.477 -4.907 47 HB ILE 6 HB ILE 6 3.585 -5.346 -4.298 48 HG12 ILE 6 HG12 ILE 6 2.518 -2.960 -2.755 49 HG13 ILE 6 HG11 ILE 6 2.015 -4.621 -2.436 50 HG21 ILE 6 HG21 ILE 6 4.872 -3.135 -4.183 51 HG22 ILE 6 HG22 ILE 6 3.518 -2.420 -5.056 52 HG23 ILE 6 HG23 ILE 6 4.462 -3.710 -5.799 53 HD11 ILE 6 HD11 ILE 6 3.889 -3.842 -0.954 54 HD12 ILE 6 HD12 ILE 6 4.898 -3.689 -2.391 55 HD13 ILE 6 HD13 ILE 6 4.290 -5.271 -1.905 56 H ARG 7 HN ARG 7 2.502 -6.519 -6.313 57 HA ARG 7 HA ARG 7 3.524 -5.341 -8.719 58 HB2 ARG 7 HB2 ARG 7 2.579 -8.141 -8.055 59 HB3 ARG 7 HB1 ARG 7 3.272 -7.712 -9.620 60 HG2 ARG 7 HG2 ARG 7 5.335 -6.954 -8.531 61 HG3 ARG 7 HG1 ARG 7 4.646 -7.305 -6.946 62 HD2 ARG 7 HD2 ARG 7 4.487 -9.684 -7.505 63 HD3 ARG 7 HD1 ARG 7 5.094 -9.362 -9.131 64 HE ARG 7 HE ARG 7 7.038 -8.333 -7.409 65 HH11 ARG 7 HH21 ARG 7 5.472 -11.353 -7.992 66 HH12 ARG 7 HH22 ARG 7 6.837 -12.301 -7.503 67 HH21 ARG 7 HH11 ARG 7 8.821 -9.553 -6.769 68 HH22 ARG 7 HH12 ARG 7 8.733 -11.282 -6.810 69 H ASP 8 HN ASP 8 0.310 -6.099 -7.661 70 HA ASP 8 HA ASP 8 -0.817 -6.083 -10.385 71 HB2 ASP 8 HB2 ASP 8 -2.063 -6.218 -7.624 72 HB3 ASP 8 HB1 ASP 8 -3.001 -6.218 -9.118 73 H VAL 9 HN VAL 9 0.304 -3.726 -8.323 74 HA VAL 9 HA VAL 9 -1.822 -1.786 -8.494 75 HB VAL 9 HB VAL 9 1.150 -1.501 -7.967 76 HG11 VAL 9 HG11 VAL 9 -1.086 0.539 -7.940 77 HG12 VAL 9 HG12 VAL 9 0.455 0.634 -8.793 78 HG13 VAL 9 HG13 VAL 9 0.410 0.766 -7.034 79 HG21 VAL 9 HG21 VAL 9 0.509 -1.384 -5.669 80 HG22 VAL 9 HG22 VAL 9 -0.403 -2.737 -6.342 81 HG23 VAL 9 HG23 VAL 9 -1.195 -1.184 -6.080 82 H SER 10 HN SER 10 -2.348 -0.439 -10.134 83 HA SER 10 HA SER 10 -0.405 0.437 -12.112 84 HB2 SER 10 HB2 SER 10 -1.682 -0.539 -14.054 85 HB3 SER 10 HB1 SER 10 -0.829 -1.735 -13.082 86 HG SER 10 HG SER 10 -3.386 -1.125 -12.241 87 H LEU 11 HN LEU 11 -1.521 1.850 -13.776 88 HA LEU 11 HA LEU 11 -3.315 3.681 -12.467 89 HB2 LEU 11 HB2 LEU 11 -2.249 3.358 -15.269 90 HB3 LEU 11 HB1 LEU 11 -3.479 4.573 -14.930 91 HG LEU 11 HG LEU 11 -1.088 5.404 -14.801 92 HD11 LEU 11 HD11 LEU 11 -1.570 6.909 -13.116 93 HD12 LEU 11 HD12 LEU 11 -2.243 5.686 -12.043 94 HD13 LEU 11 HD13 LEU 11 -3.188 6.277 -13.410 95 HD21 LEU 11 HD21 LEU 11 0.318 4.726 -12.989 96 HD22 LEU 11 HD22 LEU 11 -0.282 3.241 -13.727 97 HD23 LEU 11 HD23 LEU 11 -0.989 3.826 -12.223 98 H SER 12 HN SER 12 -3.883 0.687 -13.766 99 HA SER 12 HA SER 12 -6.324 1.062 -15.204 100 HB2 SER 12 HB2 SER 12 -6.718 -1.330 -14.705 101 HB3 SER 12 HB1 SER 12 -5.072 -1.051 -15.267 102 HG SER 12 HG SER 12 -4.504 -1.948 -13.459 103 H THR 13 HN THR 13 -5.569 0.833 -11.756 104 HA THR 13 HA THR 13 -8.489 1.133 -11.159 105 HB THR 13 HB THR 13 -7.808 0.319 -8.851 106 HG1 THR 13 HG1 THR 13 -5.599 0.662 -9.023 107 HG21 THR 13 HG21 THR 13 -7.595 -2.071 -9.677 108 HG22 THR 13 HG22 THR 13 -7.507 -1.416 -11.311 109 HG23 THR 13 HG23 THR 13 -8.957 -1.169 -10.340 110 HA PRO 14 HA PRO 14 -7.253 5.215 -9.740 111 HB2 PRO 14 HB2 PRO 14 -9.598 5.977 -8.535 112 HB3 PRO 14 HB1 PRO 14 -9.389 5.926 -10.296 113 HG2 PRO 14 HG2 PRO 14 -10.735 3.966 -8.496 114 HG3 PRO 14 HG1 PRO 14 -11.197 4.511 -10.117 115 HD2 PRO 14 HD2 PRO 14 -9.926 2.113 -9.622 116 HD3 PRO 14 HD1 PRO 14 -9.820 2.987 -11.165 117 H TYR 15 HN TYR 15 -9.257 3.438 -7.351 118 HA TYR 15 HA TYR 15 -7.330 4.295 -5.219 119 HB2 TYR 15 HB2 TYR 15 -10.291 3.683 -5.077 120 HB3 TYR 15 HB1 TYR 15 -9.269 3.969 -3.667 121 HD1 TYR 15 HD1 TYR 15 -8.071 6.173 -3.426 122 HD2 TYR 15 HD2 TYR 15 -11.066 5.494 -6.430 123 HE1 TYR 15 HE1 TYR 15 -8.308 8.621 -3.743 124 HE2 TYR 15 HE2 TYR 15 -11.304 7.943 -6.745 125 HH TYR 15 HH TYR 15 -9.488 10.046 -6.241 126 H VAL 16 HN VAL 16 -6.351 2.718 -4.041 127 HA VAL 16 HA VAL 16 -7.437 -0.054 -4.131 128 HB VAL 16 HB VAL 16 -5.140 -0.924 -4.553 129 HG11 VAL 16 HG11 VAL 16 -5.175 -0.514 -6.946 130 HG12 VAL 16 HG12 VAL 16 -6.121 0.958 -6.717 131 HG13 VAL 16 HG13 VAL 16 -6.840 -0.615 -6.372 132 HG21 VAL 16 HG21 VAL 16 -3.743 0.888 -3.868 133 HG22 VAL 16 HG22 VAL 16 -4.579 2.029 -4.920 134 HG23 VAL 16 HG23 VAL 16 -3.549 0.781 -5.616 135 H SER 17 HN SER 17 -6.488 -1.427 -2.449 136 HA SER 17 HA SER 17 -5.478 0.155 -0.103 137 HB2 SER 17 HB2 SER 17 -7.688 -0.705 0.370 138 HB3 SER 17 HB1 SER 17 -7.251 -2.302 -0.225 139 HG SER 17 HG SER 17 -6.510 -2.704 1.690 140 H VAL 18 HN VAL 18 -3.554 -0.531 0.767 141 HA VAL 18 HA VAL 18 -2.495 -3.212 -0.062 142 HB VAL 18 HB VAL 18 -0.251 -2.152 -0.340 143 HG11 VAL 18 HG11 VAL 18 -0.761 -1.122 -2.533 144 HG12 VAL 18 HG12 VAL 18 -2.466 -1.034 -2.087 145 HG13 VAL 18 HG13 VAL 18 -1.687 -2.603 -2.288 146 HG21 VAL 18 HG21 VAL 18 -0.764 -0.128 1.055 147 HG22 VAL 18 HG22 VAL 18 -1.820 0.446 -0.235 148 HG23 VAL 18 HG23 VAL 18 -0.089 0.275 -0.522 149 H ILE 19 HN ILE 19 -0.717 -3.949 1.337 150 HA ILE 19 HA ILE 19 -0.621 -2.665 4.021 151 HB ILE 19 HB ILE 19 -2.373 -4.430 4.092 152 HG12 ILE 19 HG12 ILE 19 0.141 -5.277 5.558 153 HG13 ILE 19 HG11 ILE 19 -0.854 -3.904 6.045 154 HG21 ILE 19 HG21 ILE 19 -1.827 -6.731 3.678 155 HG22 ILE 19 HG22 ILE 19 -0.111 -6.359 3.515 156 HG23 ILE 19 HG23 ILE 19 -1.251 -5.821 2.281 157 HD11 ILE 19 HD11 ILE 19 -2.799 -5.377 6.304 158 HD12 ILE 19 HD12 ILE 19 -1.459 -5.962 7.291 159 HD13 ILE 19 HD13 ILE 19 -1.843 -6.757 5.763 160 H GLY 20 HN GLY 20 1.393 -2.832 4.981 161 HA2 GLY 20 HA2 GLY 20 3.312 -4.840 4.544 162 HA3 GLY 20 HA1 GLY 20 3.603 -3.613 3.313 163 H LYS 21 HN LYS 21 5.711 -3.523 4.610 164 HA LYS 21 HA LYS 21 5.440 -1.802 7.046 165 HB2 LYS 21 HB2 LYS 21 7.668 -2.515 7.626 166 HB3 LYS 21 HB1 LYS 21 6.720 -3.951 7.246 167 HG2 LYS 21 HG2 LYS 21 7.638 -3.790 4.879 168 HG3 LYS 21 HG1 LYS 21 8.757 -2.567 5.484 169 HD2 LYS 21 HD2 LYS 21 8.509 -5.347 6.665 170 HD3 LYS 21 HD1 LYS 21 9.708 -4.903 5.452 171 HE2 LYS 21 HE2 LYS 21 10.429 -3.039 7.054 172 HE3 LYS 21 HE1 LYS 21 9.443 -3.846 8.273 173 HZ1 LYS 21 HZ1 LYS 21 11.229 -5.582 6.808 174 HZ2 LYS 21 HZ2 LYS 21 10.894 -5.518 8.471 175 HZ3 LYS 21 HZ3 LYS 21 12.006 -4.433 7.783 176 H ILE 22 HN ILE 22 6.113 0.256 6.987 177 HA ILE 22 HA ILE 22 7.179 1.287 4.406 178 HB ILE 22 HB ILE 22 5.990 2.601 6.862 179 HG12 ILE 22 HG12 ILE 22 4.362 3.419 5.116 180 HG13 ILE 22 HG11 ILE 22 5.187 2.398 3.942 181 HG21 ILE 22 HG21 ILE 22 7.432 3.846 4.516 182 HG22 ILE 22 HG22 ILE 22 7.681 4.144 6.237 183 HG23 ILE 22 HG23 ILE 22 6.221 4.737 5.442 184 HD11 ILE 22 HD11 ILE 22 3.080 1.457 5.135 185 HD12 ILE 22 HD12 ILE 22 4.150 1.221 6.517 186 HD13 ILE 22 HD13 ILE 22 4.490 0.413 4.985 187 H THR 23 HN THR 23 9.276 1.885 4.157 188 HA THR 23 HA THR 23 10.916 2.472 6.579 189 HB THR 23 HB THR 23 12.714 1.031 5.782 190 HG1 THR 23 HG1 THR 23 10.925 0.134 3.787 191 HG21 THR 23 HG21 THR 23 10.096 -0.496 5.759 192 HG22 THR 23 HG22 THR 23 10.890 0.083 7.224 193 HG23 THR 23 HG23 THR 23 11.684 -1.121 6.210 194 H GLY 24 HN GLY 24 12.830 3.714 6.108 195 HA2 GLY 24 HA2 GLY 24 14.141 5.243 4.892 196 HA3 GLY 24 HA1 GLY 24 13.378 4.651 3.414 197 H ILE 25 HN ILE 25 12.643 6.639 6.294 198 HA ILE 25 HA ILE 25 10.452 7.988 4.895 199 HB ILE 25 HB ILE 25 11.779 8.714 7.518 200 HG12 ILE 25 HG12 ILE 25 11.035 6.404 7.624 201 HG13 ILE 25 HG11 ILE 25 9.902 7.400 8.533 202 HG21 ILE 25 HG21 ILE 25 9.034 9.328 6.386 203 HG22 ILE 25 HG22 ILE 25 10.357 10.480 6.568 204 HG23 ILE 25 HG23 ILE 25 9.599 9.775 7.995 205 HD11 ILE 25 HD11 ILE 25 9.524 6.045 5.879 206 HD12 ILE 25 HD12 ILE 25 8.600 7.503 6.233 207 HD13 ILE 25 HD13 ILE 25 8.447 6.089 7.271 208 H HIS 26 HN HIS 26 10.597 9.815 3.737 209 HA HIS 26 HA HIS 26 13.033 11.535 4.001 210 HB2 HIS 26 HB2 HIS 26 11.731 10.535 1.449 211 HB3 HIS 26 HB1 HIS 26 12.930 11.829 1.505 212 HD1 HIS 26 HD1 HIS 26 12.545 8.134 2.225 213 HD2 HIS 26 HD2 HIS 26 15.580 10.965 1.840 214 HE1 HIS 26 HE1 HIS 26 14.727 6.848 2.222 215 H LYS 27 HN LYS 27 12.577 13.716 3.952 216 HA LYS 27 HA LYS 27 9.685 14.473 3.704 217 HB2 LYS 27 HB2 LYS 27 10.773 14.892 5.901 218 HB3 LYS 27 HB1 LYS 27 11.952 15.930 5.095 219 HG2 LYS 27 HG2 LYS 27 10.166 17.421 4.335 220 HG3 LYS 27 HG1 LYS 27 8.950 16.361 5.051 221 HD2 LYS 27 HD2 LYS 27 9.942 16.748 7.284 222 HD3 LYS 27 HD1 LYS 27 11.128 17.835 6.560 223 HE2 LYS 27 HE2 LYS 27 8.131 18.227 6.358 224 HE3 LYS 27 HE1 LYS 27 9.152 19.028 7.553 225 HZ1 LYS 27 HZ1 LYS 27 8.954 19.470 4.679 226 HZ2 LYS 27 HZ2 LYS 27 10.503 19.599 5.364 227 HZ3 LYS 27 HZ3 LYS 27 9.237 20.578 5.930 228 H LYS 28 HN LYS 28 9.093 15.963 2.201 229 HA LYS 28 HA LYS 28 11.132 17.669 0.902 230 HB2 LYS 28 HB2 LYS 28 11.068 15.579 -0.460 231 HB3 LYS 28 HB1 LYS 28 9.337 15.815 -0.698 232 HG2 LYS 28 HG2 LYS 28 9.740 17.952 -1.805 233 HG3 LYS 28 HG1 LYS 28 11.471 17.814 -1.497 234 HD2 LYS 28 HD2 LYS 28 11.546 15.768 -2.879 235 HD3 LYS 28 HD1 LYS 28 9.818 15.926 -3.199 236 HE2 LYS 28 HE2 LYS 28 10.205 18.121 -4.248 237 HE3 LYS 28 HE1 LYS 28 11.932 17.978 -3.920 238 HZ1 LYS 28 HZ1 LYS 28 10.417 15.991 -5.511 239 HZ2 LYS 28 HZ2 LYS 28 12.103 16.138 -5.363 240 HZ3 LYS 28 HZ3 LYS 28 11.215 17.316 -6.207 241 H GLU 29 HN GLU 29 10.144 19.473 -0.211 242 HA GLU 29 HA GLU 29 7.275 19.933 0.557 243 HB2 GLU 29 HB2 GLU 29 9.608 21.842 0.301 244 HB3 GLU 29 HB1 GLU 29 7.930 22.376 0.443 245 HG2 GLU 29 HG2 GLU 29 7.700 21.212 2.574 246 HG3 GLU 29 HG1 GLU 29 9.334 20.563 2.426 247 H TYR 30 HN TYR 30 5.883 20.787 -1.011 248 HA TYR 30 HA TYR 30 7.014 21.263 -3.738 249 HB2 TYR 30 HB2 TYR 30 5.346 19.859 -4.771 250 HB3 TYR 30 HB1 TYR 30 6.176 18.895 -3.553 251 HD1 TYR 30 HD2 TYR 30 5.082 18.862 -1.156 252 HD2 TYR 30 HD1 TYR 30 3.004 19.978 -4.748 253 HE1 TYR 30 HE2 TYR 30 2.909 18.391 -0.051 254 HE2 TYR 30 HE1 TYR 30 0.837 19.504 -3.643 255 HH TYR 30 HH TYR 30 -0.049 19.407 -1.296 256 H GLU 31 HN GLU 31 5.515 22.465 -5.121 257 HA GLU 31 HA GLU 31 3.946 24.409 -3.538 258 HB2 GLU 31 HB2 GLU 31 4.892 24.332 -6.407 259 HB3 GLU 31 HB1 GLU 31 3.841 25.603 -5.776 260 HG2 GLU 31 HG2 GLU 31 5.492 26.188 -4.085 261 HG3 GLU 31 HG1 GLU 31 6.528 24.854 -4.591 262 H SER 32 HN SER 32 1.983 23.458 -3.058 263 HA SER 32 HA SER 32 0.468 21.946 -5.037 264 HB2 SER 32 HB2 SER 32 0.381 21.645 -2.492 265 HB3 SER 32 HB1 SER 32 -0.595 23.110 -2.455 266 HG SER 32 HG SER 32 -2.035 21.483 -2.664 267 H ASP 33 HN ASP 33 -2.121 23.110 -4.274 268 HA ASP 33 HA ASP 33 -2.565 24.873 -6.420 269 HB2 ASP 33 HB2 ASP 33 -4.284 23.612 -5.031 270 HB3 ASP 33 HB1 ASP 33 -4.126 24.888 -3.823 271 H GLY 34 HN GLY 34 -0.607 26.295 -6.114 272 HA2 GLY 34 HA2 GLY 34 0.291 28.397 -5.616 273 HA3 GLY 34 HA1 GLY 34 -1.351 28.881 -5.176 274 H THR 35 HN THR 35 -0.048 26.131 -3.525 275 HA THR 35 HA THR 35 0.784 27.823 -1.202 276 HB THR 35 HB THR 35 -1.241 25.567 -1.057 277 HG1 THR 35 HG1 THR 35 -1.375 28.378 -0.785 278 HG21 THR 35 HG21 THR 35 0.149 25.514 0.901 279 HG22 THR 35 HG22 THR 35 -1.351 26.324 1.354 280 HG23 THR 35 HG23 THR 35 0.104 27.271 1.048 281 H THR 36 HN THR 36 2.558 27.030 -0.197 282 HA THR 36 HA THR 36 3.816 24.616 -1.255 283 HB THR 36 HB THR 36 4.684 26.231 1.151 284 HG1 THR 36 HG1 THR 36 4.593 27.746 -0.371 285 HG21 THR 36 HG21 THR 36 5.896 24.154 0.835 286 HG22 THR 36 HG22 THR 36 6.936 25.494 0.353 287 HG23 THR 36 HG23 THR 36 6.136 24.513 -0.875 288 H LYS 37 HN LYS 37 3.623 22.588 -0.401 289 HA LYS 37 HA LYS 37 2.651 22.315 2.426 290 HB2 LYS 37 HB2 LYS 37 1.682 20.808 -0.013 291 HB3 LYS 37 HB1 LYS 37 1.282 20.385 1.651 292 HG2 LYS 37 HG2 LYS 37 0.228 22.570 1.985 293 HG3 LYS 37 HG1 LYS 37 0.707 23.070 0.365 294 HD2 LYS 37 HD2 LYS 37 -1.529 22.403 0.072 295 HD3 LYS 37 HD1 LYS 37 -0.621 20.983 -0.444 296 HE2 LYS 37 HE2 LYS 37 -0.959 19.929 1.736 297 HE3 LYS 37 HE1 LYS 37 -1.759 21.380 2.340 298 HZ1 LYS 37 HZ1 LYS 37 -3.296 19.605 1.602 299 HZ2 LYS 37 HZ2 LYS 37 -2.712 19.798 0.019 300 HZ3 LYS 37 HZ3 LYS 37 -3.522 21.076 0.790 301 H SER 38 HN SER 38 3.529 20.599 3.558 302 HA SER 38 HA SER 38 5.985 19.448 2.428 303 HB2 SER 38 HB2 SER 38 6.521 18.873 4.631 304 HB3 SER 38 HB1 SER 38 5.523 20.304 4.868 305 HG SER 38 HG SER 38 3.783 18.978 5.315 306 H VAL 39 HN VAL 39 6.327 17.225 2.068 307 HA VAL 39 HA VAL 39 3.999 15.395 2.405 308 HB VAL 39 HB VAL 39 4.051 16.353 0.051 309 HG11 VAL 39 HG11 VAL 39 6.594 16.323 -0.061 310 HG12 VAL 39 HG12 VAL 39 5.768 15.651 -1.466 311 HG13 VAL 39 HG13 VAL 39 6.481 14.574 -0.266 312 HG21 VAL 39 HG21 VAL 39 2.874 14.309 0.405 313 HG22 VAL 39 HG22 VAL 39 4.369 13.396 0.594 314 HG23 VAL 39 HG23 VAL 39 3.911 14.018 -0.991 315 H TYR 40 HN TYR 40 4.585 13.357 2.981 316 HA TYR 40 HA TYR 40 7.493 12.862 3.422 317 HB2 TYR 40 HB2 TYR 40 4.992 11.573 4.552 318 HB3 TYR 40 HB1 TYR 40 6.632 11.026 4.909 319 HD1 TYR 40 HD1 TYR 40 4.267 13.870 5.217 320 HD2 TYR 40 HD2 TYR 40 8.062 12.242 6.396 321 HE1 TYR 40 HE1 TYR 40 4.481 15.628 6.953 322 HE2 TYR 40 HE2 TYR 40 8.275 13.996 8.134 323 HH TYR 40 HH TYR 40 5.903 16.610 8.405 324 H GLN 41 HN GLN 41 8.531 11.240 2.335 325 HA GLN 41 HA GLN 41 6.885 9.376 0.654 326 HB2 GLN 41 HB2 GLN 41 9.411 10.874 -0.075 327 HB3 GLN 41 HB1 GLN 41 8.782 9.514 -1.009 328 HG2 GLN 41 HG2 GLN 41 6.671 10.708 -1.370 329 HG3 GLN 41 HG1 GLN 41 7.250 12.057 -0.391 330 HE21 GLN 41 HE21 GLN 41 6.970 11.016 -3.574 331 HE22 GLN 41 HE22 GLN 41 8.177 11.981 -4.274 332 H GLY 42 HN GLY 42 7.922 7.329 0.220 333 HA2 GLY 42 HA2 GLY 42 10.421 6.580 1.414 334 HA3 GLY 42 HA1 GLY 42 9.099 6.126 2.492 335 H TYR 43 HN TYR 43 10.019 3.908 1.918 336 HA TYR 43 HA TYR 43 8.728 2.886 -0.599 337 HB2 TYR 43 HB2 TYR 43 11.285 1.985 0.760 338 HB3 TYR 43 HB1 TYR 43 10.509 1.131 -0.575 339 HD1 TYR 43 HD2 TYR 43 12.196 4.274 0.425 340 HD2 TYR 43 HD1 TYR 43 10.592 1.968 -2.823 341 HE1 TYR 43 HE2 TYR 43 13.280 5.804 -1.197 342 HE2 TYR 43 HE1 TYR 43 11.674 3.495 -4.446 343 HH TYR 43 HH TYR 43 13.587 6.298 -3.333 344 H ILE 44 HN ILE 44 7.483 1.054 -0.390 345 HA ILE 44 HA ILE 44 7.219 -0.099 2.371 346 HB ILE 44 HB ILE 44 5.238 1.250 1.681 347 HG12 ILE 44 HG12 ILE 44 4.595 -1.705 1.679 348 HG13 ILE 44 HG11 ILE 44 5.139 -0.857 3.126 349 HG21 ILE 44 HG21 ILE 44 3.887 0.584 -0.188 350 HG22 ILE 44 HG22 ILE 44 4.851 -0.871 -0.442 351 HG23 ILE 44 HG23 ILE 44 5.541 0.716 -0.786 352 HD11 ILE 44 HD11 ILE 44 2.677 -0.212 1.482 353 HD12 ILE 44 HD12 ILE 44 3.252 0.755 2.840 354 HD13 ILE 44 HD13 ILE 44 2.703 -0.900 3.106 355 H GLU 45 HN GLU 45 7.077 -2.333 2.505 356 HA GLU 45 HA GLU 45 7.355 -3.863 -0.077 357 HB2 GLU 45 HB2 GLU 45 9.554 -3.633 1.073 358 HB3 GLU 45 HB1 GLU 45 8.858 -4.388 2.508 359 HG2 GLU 45 HG2 GLU 45 8.380 -6.429 1.249 360 HG3 GLU 45 HG1 GLU 45 8.967 -5.679 -0.235 361 H ASP 46 HN ASP 46 6.521 -6.023 0.000 362 HA ASP 46 HA ASP 46 5.006 -6.804 2.435 363 HB2 ASP 46 HB2 ASP 46 3.535 -5.457 0.797 364 HB3 ASP 46 HB1 ASP 46 3.669 -6.852 -0.276 365 H ASP 47 HN ASP 47 3.591 -8.849 0.769 366 HA ASP 47 HA ASP 47 5.711 -10.870 0.861 367 HB2 ASP 47 HB2 ASP 47 3.371 -11.234 1.706 368 HB3 ASP 47 HB1 ASP 47 2.812 -11.173 0.034 369 H THR 48 HN THR 48 4.561 -8.767 -1.543 370 HA THR 48 HA THR 48 5.284 -10.680 -3.744 371 HB THR 48 HB THR 48 4.082 -9.132 -5.226 372 HG1 THR 48 HG1 THR 48 3.764 -7.687 -2.816 373 HG21 THR 48 HG21 THR 48 2.908 -10.948 -3.827 374 HG22 THR 48 HG22 THR 48 1.890 -9.687 -4.517 375 HG23 THR 48 HG23 THR 48 2.338 -9.622 -2.813 376 H ALA 49 HN ALA 49 5.498 -7.124 -3.265 377 HA ALA 49 HA ALA 49 8.402 -7.217 -3.693 378 HB1 ALA 49 HB1 ALA 49 8.413 -5.904 -5.725 379 HB2 ALA 49 HB2 ALA 49 6.653 -5.767 -5.702 380 HB3 ALA 49 HB3 ALA 49 7.414 -7.329 -5.999 381 H ARG 50 HN ARG 50 8.310 -4.381 -4.664 382 HA ARG 50 HA ARG 50 7.140 -3.012 -2.289 383 HB2 ARG 50 HB2 ARG 50 9.231 -1.785 -1.906 384 HB3 ARG 50 HB1 ARG 50 9.499 -3.519 -1.747 385 HG2 ARG 50 HG2 ARG 50 10.358 -3.590 -4.073 386 HG3 ARG 50 HG1 ARG 50 10.127 -1.845 -4.201 387 HD2 ARG 50 HD2 ARG 50 11.687 -1.491 -2.325 388 HD3 ARG 50 HD1 ARG 50 11.911 -3.232 -2.181 389 HE ARG 50 HE ARG 50 13.250 -3.199 -4.152 390 HH11 ARG 50 HH21 ARG 50 11.679 -0.183 -3.534 391 HH12 ARG 50 HH22 ARG 50 12.625 0.691 -4.691 392 HH21 ARG 50 HH11 ARG 50 14.484 -2.068 -5.662 393 HH22 ARG 50 HH12 ARG 50 14.210 -0.374 -5.894 394 H ILE 51 HN ILE 51 6.826 -0.732 -2.591 395 HA ILE 51 HA ILE 51 7.284 0.337 -5.329 396 HB ILE 51 HB ILE 51 5.070 -0.725 -5.451 397 HG12 ILE 51 HG12 ILE 51 4.706 2.268 -5.232 398 HG13 ILE 51 HG11 ILE 51 5.602 1.521 -6.555 399 HG21 ILE 51 HG21 ILE 51 4.222 1.195 -3.273 400 HG22 ILE 51 HG22 ILE 51 4.651 -0.485 -2.952 401 HG23 ILE 51 HG23 ILE 51 3.275 -0.109 -3.989 402 HD11 ILE 51 HD11 ILE 51 2.708 0.992 -5.820 403 HD12 ILE 51 HD12 ILE 51 3.596 0.136 -7.080 404 HD13 ILE 51 HD13 ILE 51 3.284 1.864 -7.242 405 H ARG 52 HN ARG 52 6.871 2.687 -5.431 406 HA ARG 52 HA ARG 52 7.854 4.015 -3.041 407 HB2 ARG 52 HB2 ARG 52 6.913 5.051 -5.726 408 HB3 ARG 52 HB1 ARG 52 7.562 6.090 -4.457 409 HG2 ARG 52 HG2 ARG 52 9.655 4.788 -4.456 410 HG3 ARG 52 HG1 ARG 52 9.008 3.747 -5.723 411 HD2 ARG 52 HD2 ARG 52 8.811 5.694 -7.229 412 HD3 ARG 52 HD1 ARG 52 9.465 6.736 -5.964 413 HE ARG 52 HE ARG 52 11.338 4.664 -6.324 414 HH11 ARG 52 HH21 ARG 52 9.859 7.200 -8.143 415 HH12 ARG 52 HH22 ARG 52 11.232 7.438 -9.171 416 HH21 ARG 52 HH11 ARG 52 13.133 4.966 -7.658 417 HH22 ARG 52 HH12 ARG 52 13.084 6.175 -8.897 418 H ILE 53 HN ILE 53 6.731 5.453 -1.693 419 HA ILE 53 HA ILE 53 3.777 5.712 -2.124 420 HB ILE 53 HB ILE 53 3.453 5.369 0.312 421 HG12 ILE 53 HG12 ILE 53 6.335 4.420 0.324 422 HG13 ILE 53 HG11 ILE 53 5.849 6.009 0.910 423 HG21 ILE 53 HG21 ILE 53 3.600 2.982 0.227 424 HG22 ILE 53 HG22 ILE 53 4.951 3.038 -0.906 425 HG23 ILE 53 HG23 ILE 53 3.337 3.512 -1.434 426 HD11 ILE 53 HD11 ILE 53 4.578 3.469 1.937 427 HD12 ILE 53 HD12 ILE 53 4.523 5.080 2.649 428 HD13 ILE 53 HD13 ILE 53 6.027 4.161 2.668 429 H SER 54 HN SER 54 2.848 7.592 -1.177 430 HA SER 54 HA SER 54 4.700 9.610 -0.029 431 HB2 SER 54 HB2 SER 54 4.662 9.963 -2.503 432 HB3 SER 54 HB1 SER 54 2.913 10.162 -2.417 433 HG SER 54 HG SER 54 3.169 12.067 -1.510 434 H SER 55 HN SER 55 3.659 10.982 1.416 435 HA SER 55 HA SER 55 0.674 10.781 1.610 436 HB2 SER 55 HB2 SER 55 1.089 10.884 4.159 437 HB3 SER 55 HB1 SER 55 1.371 9.344 3.354 438 HG SER 55 HG SER 55 3.183 11.200 4.401 439 H PHE 56 HN PHE 56 -0.324 12.719 2.001 440 HA PHE 56 HA PHE 56 1.431 15.120 2.044 441 HB2 PHE 56 HB2 PHE 56 -1.534 14.742 1.562 442 HB3 PHE 56 HB1 PHE 56 -0.731 16.314 1.577 443 HD1 PHE 56 HD1 PHE 56 1.217 16.708 -0.021 444 HD2 PHE 56 HD2 PHE 56 -1.444 13.353 -0.363 445 HE1 PHE 56 HE1 PHE 56 1.943 16.371 -2.368 446 HE2 PHE 56 HE2 PHE 56 -0.719 13.018 -2.711 447 HZ PHE 56 HZ PHE 56 0.975 14.526 -3.713 448 H GLY 57 HN GLY 57 1.779 16.257 3.871 449 HA2 GLY 57 HA2 GLY 57 1.401 17.188 5.995 450 HA3 GLY 57 HA1 GLY 57 -0.291 16.726 5.834 451 H LYS 58 HN LYS 58 -0.044 13.934 5.609 452 HA LYS 58 HA LYS 58 0.376 13.265 8.396 453 HB2 LYS 58 HB2 LYS 58 -0.229 11.578 5.964 454 HB3 LYS 58 HB1 LYS 58 -0.145 10.926 7.601 455 HG2 LYS 58 HG2 LYS 58 -1.867 12.640 8.282 456 HG3 LYS 58 HG1 LYS 58 -2.039 13.062 6.580 457 HD2 LYS 58 HD2 LYS 58 -2.413 10.254 7.652 458 HD3 LYS 58 HD1 LYS 58 -3.739 11.394 7.431 459 HE2 LYS 58 HE2 LYS 58 -2.937 11.609 4.998 460 HE3 LYS 58 HE1 LYS 58 -1.956 10.178 5.315 461 HZ1 LYS 58 HZ1 LYS 58 -4.534 9.714 6.294 462 HZ2 LYS 58 HZ2 LYS 58 -3.734 8.926 5.019 463 HZ3 LYS 58 HZ3 LYS 58 -4.683 10.302 4.710 464 H GLN 59 HN GLN 59 2.085 12.288 9.362 465 HA GLN 59 HA GLN 59 4.561 11.940 7.755 466 HB2 GLN 59 HB2 GLN 59 4.637 13.300 9.831 467 HB3 GLN 59 HB1 GLN 59 4.133 11.887 10.759 468 HG2 GLN 59 HG2 GLN 59 6.142 10.690 10.165 469 HG3 GLN 59 HG1 GLN 59 6.610 11.944 9.017 470 HE21 GLN 59 HE21 GLN 59 8.348 11.211 11.155 471 HE22 GLN 59 HE22 GLN 59 8.445 12.509 12.245 472 H LEU 60 HN LEU 60 5.871 10.004 8.069 473 HA LEU 60 HA LEU 60 4.299 7.568 8.859 474 HB2 LEU 60 HB2 LEU 60 6.340 7.853 6.632 475 HB3 LEU 60 HB1 LEU 60 5.506 6.364 7.076 476 HG LEU 60 HG LEU 60 4.157 8.907 6.117 477 HD11 LEU 60 HD11 LEU 60 3.790 7.740 4.035 478 HD12 LEU 60 HD12 LEU 60 4.483 6.255 4.687 479 HD13 LEU 60 HD13 LEU 60 5.512 7.657 4.398 480 HD21 LEU 60 HD21 LEU 60 2.237 7.109 5.844 481 HD22 LEU 60 HD22 LEU 60 2.526 7.840 7.418 482 HD23 LEU 60 HD23 LEU 60 3.151 6.227 7.071 483 H GLN 61 HN GLN 61 5.565 5.868 9.814 484 HA GLN 61 HA GLN 61 8.144 6.835 11.010 485 HB2 GLN 61 HB2 GLN 61 6.018 4.945 12.034 486 HB3 GLN 61 HB1 GLN 61 7.610 5.093 12.779 487 HG2 GLN 61 HG2 GLN 61 7.251 7.481 13.155 488 HG3 GLN 61 HG1 GLN 61 5.691 7.398 12.336 489 HE21 GLN 61 HE21 GLN 61 5.589 4.532 13.764 490 HE22 GLN 61 HE22 GLN 61 4.970 4.934 15.292 491 H ASP 62 HN ASP 62 9.941 5.633 10.765 492 HA ASP 62 HA ASP 62 10.072 3.644 8.707 493 HB2 ASP 62 HB2 ASP 62 11.932 5.182 9.419 494 HB3 ASP 62 HB1 ASP 62 12.112 4.206 10.877 495 H SER 63 HN SER 63 10.048 1.460 8.800 496 HA SER 63 HA SER 63 9.808 -0.698 9.625 497 HB2 SER 63 HB2 SER 63 10.983 -1.313 11.555 498 HB3 SER 63 HB1 SER 63 11.854 0.117 11.012 499 HG SER 63 HG SER 63 10.949 -0.201 13.349 500 H ASP 64 HN ASP 64 7.493 -0.283 9.372 501 HA ASP 64 HA ASP 64 6.075 -0.893 11.834 502 HB2 ASP 64 HB2 ASP 64 4.529 1.047 11.742 503 HB3 ASP 64 HB1 ASP 64 6.184 1.538 12.095 504 H VAL 65 HN VAL 65 4.624 -2.380 11.219 505 HA VAL 65 HA VAL 65 3.822 -2.626 8.407 506 HB VAL 65 HB VAL 65 2.806 -4.235 10.758 507 HG11 VAL 65 HG11 VAL 65 1.610 -4.504 8.617 508 HG12 VAL 65 HG12 VAL 65 2.513 -5.965 9.016 509 HG13 VAL 65 HG13 VAL 65 3.135 -4.847 7.804 510 HG21 VAL 65 HG21 VAL 65 5.283 -4.695 9.064 511 HG22 VAL 65 HG22 VAL 65 4.654 -5.804 10.284 512 HG23 VAL 65 HG23 VAL 65 5.280 -4.227 10.763 513 H VAL 66 HN VAL 66 2.166 -1.418 7.647 514 HA VAL 66 HA VAL 66 -0.245 -1.064 9.376 515 HB VAL 66 HB VAL 66 -0.398 1.276 8.858 516 HG11 VAL 66 HG11 VAL 66 1.301 0.465 10.622 517 HG12 VAL 66 HG12 VAL 66 1.486 2.117 10.038 518 HG13 VAL 66 HG13 VAL 66 2.542 0.844 9.428 519 HG21 VAL 66 HG21 VAL 66 1.508 2.320 7.474 520 HG22 VAL 66 HG22 VAL 66 0.317 1.373 6.581 521 HG23 VAL 66 HG23 VAL 66 1.887 0.673 6.969 522 H ARG 67 HN ARG 67 -2.164 -0.454 8.130 523 HA ARG 67 HA ARG 67 -2.074 -1.490 5.318 524 HB2 ARG 67 HB2 ARG 67 -3.339 -2.920 6.917 525 HB3 ARG 67 HB1 ARG 67 -4.381 -1.545 7.284 526 HG2 ARG 67 HG2 ARG 67 -5.066 -1.423 4.919 527 HG3 ARG 67 HG1 ARG 67 -4.015 -2.790 4.541 528 HD2 ARG 67 HD2 ARG 67 -5.311 -4.157 6.210 529 HD3 ARG 67 HD1 ARG 67 -6.431 -2.803 6.374 530 HE ARG 67 HE ARG 67 -6.067 -3.613 3.603 531 HH11 ARG 67 HH21 ARG 67 -7.681 -4.218 6.592 532 HH12 ARG 67 HH22 ARG 67 -9.056 -4.966 5.847 533 HH21 ARG 67 HH11 ARG 67 -7.850 -4.585 2.619 534 HH22 ARG 67 HH12 ARG 67 -9.151 -5.175 3.599 535 H ILE 68 HN ILE 68 -2.589 -0.012 3.797 536 HA ILE 68 HA ILE 68 -3.887 2.543 4.680 537 HB ILE 68 HB ILE 68 -2.306 1.927 2.160 538 HG12 ILE 68 HG12 ILE 68 -1.499 3.544 4.595 539 HG13 ILE 68 HG11 ILE 68 -1.005 1.872 4.326 540 HG21 ILE 68 HG21 ILE 68 -2.313 4.388 1.902 541 HG22 ILE 68 HG22 ILE 68 -3.323 4.535 3.339 542 HG23 ILE 68 HG23 ILE 68 -3.955 3.748 1.894 543 HD11 ILE 68 HD11 ILE 68 -0.416 4.226 2.509 544 HD12 ILE 68 HD12 ILE 68 0.012 2.552 2.158 545 HD13 ILE 68 HD13 ILE 68 0.747 3.381 3.530 546 H ASP 69 HN ASP 69 -5.941 2.892 4.040 547 HA ASP 69 HA ASP 69 -7.077 1.172 1.857 548 HB2 ASP 69 HB2 ASP 69 -8.341 2.469 4.281 549 HB3 ASP 69 HB1 ASP 69 -9.280 1.762 2.966 550 H ASN 70 HN ASN 70 -8.262 2.145 0.239 551 HA ASN 70 HA ASN 70 -8.974 3.815 -1.223 552 HB2 ASN 70 HB2 ASN 70 -10.080 4.653 0.960 553 HB3 ASN 70 HB1 ASN 70 -8.748 5.803 1.042 554 HD21 ASN 70 HD21 ASN 70 -10.061 7.678 0.574 555 HD22 ASN 70 HD22 ASN 70 -10.772 7.924 -0.947 556 H ALA 71 HN ALA 71 -6.169 3.189 -0.929 557 HA ALA 71 HA ALA 71 -4.636 5.659 -0.952 558 HB1 ALA 71 HB1 ALA 71 -2.763 4.276 -1.516 559 HB2 ALA 71 HB2 ALA 71 -3.808 2.995 -2.130 560 HB3 ALA 71 HB3 ALA 71 -3.745 3.329 -0.399 561 H ARG 72 HN ARG 72 -4.120 6.921 -2.730 562 HA ARG 72 HA ARG 72 -5.535 6.298 -5.256 563 HB2 ARG 72 HB2 ARG 72 -5.689 8.565 -4.266 564 HB3 ARG 72 HB1 ARG 72 -3.943 8.747 -4.437 565 HG2 ARG 72 HG2 ARG 72 -4.126 8.507 -6.869 566 HG3 ARG 72 HG1 ARG 72 -5.864 8.235 -6.728 567 HD2 ARG 72 HD2 ARG 72 -5.461 10.566 -7.338 568 HD3 ARG 72 HD1 ARG 72 -6.100 10.490 -5.699 569 HE ARG 72 HE ARG 72 -3.986 11.209 -4.869 570 HH11 ARG 72 HH21 ARG 72 -3.922 10.450 -8.242 571 HH12 ARG 72 HH22 ARG 72 -2.374 11.179 -8.505 572 HH21 ARG 72 HH11 ARG 72 -1.972 12.164 -5.206 573 HH22 ARG 72 HH12 ARG 72 -1.272 12.148 -6.790 574 H VAL 73 HN VAL 73 -4.522 5.638 -7.082 575 HA VAL 73 HA VAL 73 -1.630 5.061 -6.949 576 HB VAL 73 HB VAL 73 -3.714 4.464 -9.075 577 HG11 VAL 73 HG11 VAL 73 -1.951 2.847 -9.878 578 HG12 VAL 73 HG12 VAL 73 -0.819 3.601 -8.755 579 HG13 VAL 73 HG13 VAL 73 -1.505 4.540 -10.079 580 HG21 VAL 73 HG21 VAL 73 -3.556 2.168 -8.166 581 HG22 VAL 73 HG22 VAL 73 -4.091 3.305 -6.930 582 HG23 VAL 73 HG23 VAL 73 -2.423 2.734 -6.939 583 H ALA 74 HN ALA 74 -0.103 6.261 -7.969 584 HA ALA 74 HA ALA 74 -0.961 8.274 -10.021 585 HB1 ALA 74 HB1 ALA 74 -0.520 9.329 -7.769 586 HB2 ALA 74 HB2 ALA 74 0.551 9.902 -9.047 587 HB3 ALA 74 HB3 ALA 74 1.134 8.725 -7.871 588 H GLN 75 HN GLN 75 0.925 8.953 -11.400 589 HA GLN 75 HA GLN 75 2.954 6.747 -11.632 590 HB2 GLN 75 HB2 GLN 75 1.141 6.838 -13.437 591 HB3 GLN 75 HB1 GLN 75 1.872 8.358 -13.947 592 HG2 GLN 75 HG2 GLN 75 4.000 7.271 -14.346 593 HG3 GLN 75 HG1 GLN 75 3.394 5.754 -13.688 594 HE21 GLN 75 HE21 GLN 75 2.647 4.313 -15.225 595 HE22 GLN 75 HE22 GLN 75 2.071 4.736 -16.764 596 H PHE 76 HN PHE 76 4.960 7.431 -11.406 597 HA PHE 76 HA PHE 76 5.605 10.302 -11.445 598 HB2 PHE 76 HB2 PHE 76 7.016 7.767 -10.662 599 HB3 PHE 76 HB1 PHE 76 7.990 9.196 -11.002 600 HD1 PHE 76 HD1 PHE 76 7.033 11.435 -9.915 601 HD2 PHE 76 HD2 PHE 76 6.286 7.470 -8.453 602 HE1 PHE 76 HE1 PHE 76 6.505 12.363 -7.679 603 HE2 PHE 76 HE2 PHE 76 5.759 8.396 -6.211 604 HZ PHE 76 HZ PHE 76 5.867 10.842 -5.826 605 H ASN 77 HN ASN 77 7.962 10.606 -12.577 606 HA ASN 77 HA ASN 77 7.710 10.908 -15.269 607 HB2 ASN 77 HB2 ASN 77 10.155 10.050 -13.713 608 HB3 ASN 77 HB1 ASN 77 10.230 10.471 -15.423 609 HD21 ASN 77 HD21 ASN 77 11.602 12.036 -13.453 610 HD22 ASN 77 HD22 ASN 77 10.865 13.563 -13.373 611 H GLY 78 HN GLY 78 7.882 7.844 -13.688 612 HA2 GLY 78 HA2 GLY 78 7.080 6.341 -15.907 613 HA3 GLY 78 HA1 GLY 78 8.844 6.267 -15.897 614 H TYR 79 HN TYR 79 6.960 6.561 -12.933 615 HA TYR 79 HA TYR 79 7.363 3.651 -12.368 616 HB2 TYR 79 HB2 TYR 79 8.354 5.886 -10.572 617 HB3 TYR 79 HB1 TYR 79 8.318 4.178 -10.142 618 HD1 TYR 79 HD1 TYR 79 9.746 2.545 -11.349 619 HD2 TYR 79 HD2 TYR 79 10.000 6.767 -12.093 620 HE1 TYR 79 HE1 TYR 79 11.927 2.214 -12.483 621 HE2 TYR 79 HE2 TYR 79 12.179 6.436 -13.227 622 HH TYR 79 HH TYR 79 14.093 4.478 -12.989 623 H LEU 80 HN LEU 80 5.800 2.772 -11.067 624 HA LEU 80 HA LEU 80 3.393 4.353 -10.622 625 HB2 LEU 80 HB2 LEU 80 4.058 1.529 -9.728 626 HB3 LEU 80 HB1 LEU 80 2.450 2.254 -9.771 627 HG LEU 80 HG LEU 80 4.247 1.810 -12.173 628 HD11 LEU 80 HD11 LEU 80 2.383 0.201 -12.796 629 HD12 LEU 80 HD12 LEU 80 1.790 0.376 -11.144 630 HD13 LEU 80 HD13 LEU 80 3.391 -0.304 -11.440 631 HD21 LEU 80 HD21 LEU 80 1.935 2.338 -13.322 632 HD22 LEU 80 HD22 LEU 80 2.948 3.665 -12.769 633 HD23 LEU 80 HD23 LEU 80 1.573 3.149 -11.796 634 H SER 81 HN SER 81 2.462 4.877 -8.591 635 HA SER 81 HA SER 81 3.947 4.282 -6.126 636 HB2 SER 81 HB2 SER 81 4.118 6.743 -5.562 637 HB3 SER 81 HB1 SER 81 5.206 6.199 -6.833 638 HG SER 81 HG SER 81 3.749 7.019 -8.353 639 H LEU 82 HN LEU 82 2.737 4.989 -4.210 640 HA LEU 82 HA LEU 82 -0.193 5.355 -4.774 641 HB2 LEU 82 HB2 LEU 82 1.154 4.100 -2.360 642 HB3 LEU 82 HB1 LEU 82 -0.583 4.189 -2.659 643 HG LEU 82 HG LEU 82 1.424 2.739 -4.412 644 HD11 LEU 82 HD11 LEU 82 1.032 1.655 -2.213 645 HD12 LEU 82 HD12 LEU 82 0.385 0.696 -3.546 646 HD13 LEU 82 HD13 LEU 82 -0.702 1.654 -2.540 647 HD21 LEU 82 HD21 LEU 82 -0.864 1.770 -5.287 648 HD22 LEU 82 HD22 LEU 82 -0.315 3.336 -5.874 649 HD23 LEU 82 HD23 LEU 82 -1.544 3.252 -4.611 650 H SER 83 HN SER 83 -1.031 7.252 -4.102 651 HA SER 83 HA SER 83 0.563 8.922 -2.191 652 HB2 SER 83 HB2 SER 83 -0.256 10.798 -3.288 653 HB3 SER 83 HB1 SER 83 -0.232 9.648 -4.621 654 HG SER 83 HG SER 83 -2.330 9.712 -4.672 655 H VAL 84 HN VAL 84 -0.276 9.332 -0.209 656 HA VAL 84 HA VAL 84 -3.030 8.344 0.393 657 HB VAL 84 HB VAL 84 -0.850 9.176 2.324 658 HG11 VAL 84 HG11 VAL 84 -2.194 7.703 3.852 659 HG12 VAL 84 HG12 VAL 84 -3.411 7.580 2.582 660 HG13 VAL 84 HG13 VAL 84 -3.056 9.144 3.316 661 HG21 VAL 84 HG21 VAL 84 -0.526 6.670 2.548 662 HG22 VAL 84 HG22 VAL 84 0.031 7.350 1.020 663 HG23 VAL 84 HG23 VAL 84 -1.504 6.486 1.092 664 H GLY 85 HN GLY 85 -4.557 9.888 0.306 665 HA2 GLY 85 HA2 GLY 85 -3.842 12.731 0.746 666 HA3 GLY 85 HA1 GLY 85 -5.365 12.133 0.094 667 H ASP 86 HN ASP 86 -5.727 13.979 1.921 668 HA ASP 86 HA ASP 86 -5.739 13.112 4.664 669 HB2 ASP 86 HB2 ASP 86 -7.283 15.059 4.989 670 HB3 ASP 86 HB1 ASP 86 -5.809 15.479 4.114 671 H SER 87 HN SER 87 -7.903 12.564 1.988 672 HA SER 87 HA SER 87 -10.155 11.790 3.719 673 HB2 SER 87 HB2 SER 87 -11.293 11.268 1.624 674 HB3 SER 87 HB1 SER 87 -10.502 12.836 1.480 675 HG SER 87 HG SER 87 -8.742 11.711 0.479 676 H SER 88 HN SER 88 -7.272 10.351 2.831 677 HA SER 88 HA SER 88 -8.269 7.633 2.421 678 HB2 SER 88 HB2 SER 88 -6.147 8.357 1.404 679 HB3 SER 88 HB1 SER 88 -5.475 8.659 3.004 680 HG SER 88 HG SER 88 -4.963 6.630 2.996 681 H ARG 89 HN ARG 89 -7.291 5.860 3.919 682 HA ARG 89 HA ARG 89 -7.412 6.758 6.789 683 HB2 ARG 89 HB2 ARG 89 -8.794 4.400 5.486 684 HB3 ARG 89 HB1 ARG 89 -8.605 4.573 7.232 685 HG2 ARG 89 HG2 ARG 89 -9.830 6.681 7.194 686 HG3 ARG 89 HG1 ARG 89 -9.939 6.617 5.436 687 HD2 ARG 89 HD2 ARG 89 -12.040 5.836 6.422 688 HD3 ARG 89 HD1 ARG 89 -11.224 4.495 5.615 689 HE ARG 89 HE ARG 89 -10.469 4.608 8.395 690 HH11 ARG 89 HH21 ARG 89 -13.000 3.764 6.203 691 HH12 ARG 89 HH22 ARG 89 -13.687 2.570 7.253 692 HH21 ARG 89 HH11 ARG 89 -11.356 3.053 9.772 693 HH22 ARG 89 HH12 ARG 89 -12.758 2.168 9.272 694 H ILE 90 HN ILE 90 -5.974 5.765 8.144 695 HA ILE 90 HA ILE 90 -4.152 3.686 6.966 696 HB ILE 90 HB ILE 90 -3.479 5.994 8.821 697 HG12 ILE 90 HG12 ILE 90 -2.477 5.359 6.030 698 HG13 ILE 90 HG11 ILE 90 -3.795 6.484 6.358 699 HG21 ILE 90 HG21 ILE 90 -2.163 4.092 9.483 700 HG22 ILE 90 HG22 ILE 90 -1.123 5.112 8.488 701 HG23 ILE 90 HG23 ILE 90 -1.844 3.655 7.804 702 HD11 ILE 90 HD11 ILE 90 -2.294 7.843 7.763 703 HD12 ILE 90 HD12 ILE 90 -1.645 7.676 6.132 704 HD13 ILE 90 HD13 ILE 90 -0.975 6.715 7.449 705 H GLU 91 HN GLU 91 -4.049 1.845 8.169 706 HA GLU 91 HA GLU 91 -4.948 1.967 11.033 707 HB2 GLU 91 HB2 GLU 91 -5.527 -0.174 8.960 708 HB3 GLU 91 HB1 GLU 91 -5.907 -0.310 10.676 709 HG2 GLU 91 HG2 GLU 91 -6.942 1.881 8.850 710 HG3 GLU 91 HG1 GLU 91 -7.863 0.454 9.324 711 H SER 92 HN SER 92 -3.242 1.558 12.268 712 HA SER 92 HA SER 92 -0.917 0.124 11.256 713 HB2 SER 92 HB2 SER 92 -0.120 0.442 13.646 714 HB3 SER 92 HB1 SER 92 -0.505 1.927 12.779 715 HG SER 92 HG SER 92 -2.452 2.017 13.846 716 H VAL 93 HN VAL 93 -0.080 -1.849 12.211 717 HA VAL 93 HA VAL 93 -2.080 -3.500 13.707 718 HB VAL 93 HB VAL 93 -0.500 -4.381 11.270 719 HG11 VAL 93 HG11 VAL 93 -1.900 -6.479 11.600 720 HG12 VAL 93 HG12 VAL 93 -2.319 -5.851 13.194 721 HG13 VAL 93 HG13 VAL 93 -0.639 -6.222 12.806 722 HG21 VAL 93 HG21 VAL 93 -2.372 -3.103 10.528 723 HG22 VAL 93 HG22 VAL 93 -3.422 -3.776 11.776 724 HG23 VAL 93 HG23 VAL 93 -2.896 -4.783 10.428 725 H ASN 94 HN ASN 94 -0.726 -3.017 15.537 726 HA ASN 94 HA ASN 94 1.972 -4.329 15.510 727 HB2 ASN 94 HB2 ASN 94 0.790 -2.148 17.253 728 HB3 ASN 94 HB1 ASN 94 2.322 -2.946 17.604 729 HD21 ASN 94 HD21 ASN 94 3.129 -3.197 14.758 730 HD22 ASN 94 HD22 ASN 94 3.514 -1.631 14.232 731 H VAL 95 HN VAL 95 -0.710 -3.702 17.810 732 HA VAL 95 HA VAL 95 -0.239 -6.442 18.949 733 HB VAL 95 HB VAL 95 -1.320 -5.497 21.020 734 HG11 VAL 95 HG11 VAL 95 1.211 -4.156 20.023 735 HG12 VAL 95 HG12 VAL 95 1.118 -5.742 20.790 736 HG13 VAL 95 HG13 VAL 95 0.726 -4.291 21.713 737 HG21 VAL 95 HG21 VAL 95 -2.480 -3.582 20.070 738 HG22 VAL 95 HG22 VAL 95 -0.966 -2.912 19.464 739 HG23 VAL 95 HG23 VAL 95 -1.265 -2.988 21.200 740 H ASN 96 HN ASN 96 -1.889 -7.847 18.875 741 HA ASN 96 HA ASN 96 -4.215 -7.343 17.308 742 HB2 ASN 96 HB2 ASN 96 -3.581 -9.516 19.322 743 HB3 ASN 96 HB1 ASN 96 -5.018 -9.526 18.300 744 HD21 ASN 96 HD21 ASN 96 -3.243 -8.136 16.123 745 HD22 ASN 96 HD22 ASN 96 -2.391 -9.432 15.440 746 H ILE 97 HN ILE 97 -6.384 -7.110 17.910 747 HA ILE 97 HA ILE 97 -7.969 -5.787 19.089 748 HB ILE 97 HB ILE 97 -8.611 -7.125 21.205 749 HG12 ILE 97 HG12 ILE 97 -6.528 -9.013 20.055 750 HG13 ILE 97 HG11 ILE 97 -6.293 -8.065 21.524 751 HG21 ILE 97 HG21 ILE 97 -9.511 -8.955 19.842 752 HG22 ILE 97 HG22 ILE 97 -8.363 -8.586 18.556 753 HG23 ILE 97 HG23 ILE 97 -9.635 -7.433 18.959 754 HD11 ILE 97 HD11 ILE 97 -8.369 -9.136 22.459 755 HD12 ILE 97 HD12 ILE 97 -7.046 -10.267 22.176 756 HD13 ILE 97 HD13 ILE 97 -8.398 -10.189 21.045 757 HA PRO 98 HA PRO 98 -4.872 -3.498 21.717 758 HB2 PRO 98 HB2 PRO 98 -6.448 -1.213 20.608 759 HB3 PRO 98 HB1 PRO 98 -4.688 -1.425 20.704 760 HG2 PRO 98 HG2 PRO 98 -5.972 -1.655 18.385 761 HG3 PRO 98 HG1 PRO 98 -4.607 -2.712 18.785 762 HD2 PRO 98 HD2 PRO 98 -7.551 -3.329 18.850 763 HD3 PRO 98 HD1 PRO 98 -6.199 -4.355 18.316 764 H LEU 99 HN LEU 99 -5.228 -2.569 23.747 765 HA LEU 99 HA LEU 99 -7.971 -2.830 24.814 766 HB2 LEU 99 HB2 LEU 99 -5.374 -2.103 26.212 767 HB3 LEU 99 HB1 LEU 99 -6.891 -2.549 26.992 768 HG LEU 99 HG LEU 99 -5.276 -4.336 25.148 769 HD11 LEU 99 HD11 LEU 99 -4.934 -5.653 27.279 770 HD12 LEU 99 HD12 LEU 99 -5.613 -4.283 28.160 771 HD13 LEU 99 HD13 LEU 99 -4.116 -4.090 27.247 772 HD21 LEU 99 HD21 LEU 99 -7.481 -5.092 24.904 773 HD22 LEU 99 HD22 LEU 99 -7.932 -4.638 26.548 774 HD23 LEU 99 HD23 LEU 99 -6.927 -6.061 26.268 775 H GLU 100 HN GLU 100 -6.220 -0.441 23.302 776 HA GLU 100 HA GLU 100 -6.758 1.835 24.962 777 HB2 GLU 100 HB2 GLU 100 -6.369 1.621 21.959 778 HB3 GLU 100 HB1 GLU 100 -6.415 3.141 22.852 779 HG2 GLU 100 HG2 GLU 100 -4.458 0.892 23.402 780 HG3 GLU 100 HG1 GLU 100 -4.086 2.330 22.450 781 H HIS 101 HN HIS 101 -8.595 3.008 25.232 782 HA HIS 101 HA HIS 101 -11.010 2.148 23.695 783 HB2 HIS 101 HB2 HIS 101 -12.275 3.214 25.542 784 HB3 HIS 101 HB1 HIS 101 -11.200 1.944 26.117 785 HD1 HIS 101 HD1 HIS 101 -8.810 2.842 27.087 786 HD2 HIS 101 HD2 HIS 101 -11.862 5.663 26.764 787 HE1 HIS 101 HE1 HIS 101 -8.152 4.783 28.575 788 H HIS 102 HN HIS 102 -11.279 3.396 21.947 789 HA HIS 102 HA HIS 102 -11.321 5.286 20.555 790 HB2 HIS 102 HB2 HIS 102 -12.569 6.283 23.121 791 HB3 HIS 102 HB1 HIS 102 -12.594 7.195 21.612 792 HD1 HIS 102 HD1 HIS 102 -13.890 4.004 23.156 793 HD2 HIS 102 HD2 HIS 102 -14.383 6.224 19.664 794 HE1 HIS 102 HE1 HIS 102 -15.864 2.990 21.936 795 H HIS 103 HN HIS 103 -10.984 7.915 20.828 796 HA HIS 103 HA HIS 103 -8.150 8.228 21.145 797 HB2 HIS 103 HB2 HIS 103 -10.380 10.272 20.919 798 HB3 HIS 103 HB1 HIS 103 -8.663 10.663 20.832 799 HD1 HIS 103 HD1 HIS 103 -7.313 9.309 18.863 800 HD2 HIS 103 HD2 HIS 103 -11.461 9.505 18.485 801 HE1 HIS 103 HE1 HIS 103 -7.840 8.750 16.449 802 H HIS 104 HN HIS 104 -10.921 9.183 23.179 803 HA HIS 104 HA HIS 104 -9.286 9.044 25.580 804 HB2 HIS 104 HB2 HIS 104 -8.585 11.256 24.724 805 HB3 HIS 104 HB1 HIS 104 -10.273 11.764 24.665 806 HD1 HIS 104 HD1 HIS 104 -11.476 12.216 26.921 807 HD2 HIS 104 HD2 HIS 104 -7.484 11.098 27.356 808 HE1 HIS 104 HE1 HIS 104 -10.860 12.688 29.331 809 H HIS 105 HN HIS 105 -12.047 11.139 24.764 810 HA HIS 105 HA HIS 105 -13.612 9.800 26.903 811 HB2 HIS 105 HB2 HIS 105 -15.247 11.730 26.319 812 HB3 HIS 105 HB1 HIS 105 -13.734 12.141 27.121 813 HD1 HIS 105 HD1 HIS 105 -14.153 14.548 25.946 814 HD2 HIS 105 HD2 HIS 105 -13.196 11.404 23.383 815 HE1 HIS 105 HE1 HIS 105 -13.428 15.600 23.761 816 H HIS 106 HN HIS 106 -14.397 7.909 26.027 817 HA HIS 106 HA HIS 106 -15.666 6.496 24.655 818 HB2 HIS 106 HB2 HIS 106 -17.192 9.097 24.355 819 HB3 HIS 106 HB1 HIS 106 -17.792 7.527 23.821 820 HD1 HIS 106 HD1 HIS 106 -17.140 9.559 26.890 821 HD2 HIS 106 HD2 HIS 106 -18.444 5.713 25.949 822 HE1 HIS 106 HE1 HIS 106 -18.075 8.576 29.029 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 -8.991 1.499 -2.771 2 H2 SER 1 HT2 SER 1 -8.379 0.167 -1.913 3 H3 SER 1 HT3 SER 1 -9.076 1.472 -1.077 4 HA SER 1 HA SER 1 -11.124 0.681 -1.296 5 HB2 SER 1 HB2 SER 1 -11.380 1.425 -3.543 6 HB3 SER 1 HB1 SER 1 -10.271 0.200 -4.155 7 HG SER 1 HG SER 1 -12.739 -0.348 -2.855 8 H ASP 2 HN ASP 2 -10.671 -1.748 -3.605 9 HA ASP 2 HA ASP 2 -10.959 -3.848 -1.635 10 HB2 ASP 2 HB2 ASP 2 -10.449 -3.859 -4.617 11 HB3 ASP 2 HB1 ASP 2 -10.615 -5.342 -3.675 12 H LEU 3 HN LEU 3 -9.442 -5.507 -1.126 13 HA LEU 3 HA LEU 3 -6.695 -4.593 -0.943 14 HB2 LEU 3 HB2 LEU 3 -7.659 -5.947 0.840 15 HB3 LEU 3 HB1 LEU 3 -8.005 -7.250 -0.295 16 HG LEU 3 HG LEU 3 -5.624 -7.617 -0.672 17 HD11 LEU 3 HD11 LEU 3 -4.580 -5.518 -0.545 18 HD12 LEU 3 HD12 LEU 3 -4.056 -6.277 0.956 19 HD13 LEU 3 HD13 LEU 3 -5.370 -5.101 0.975 20 HD21 LEU 3 HD21 LEU 3 -6.239 -7.341 2.284 21 HD22 LEU 3 HD22 LEU 3 -5.014 -8.391 1.571 22 HD23 LEU 3 HD23 LEU 3 -6.724 -8.699 1.269 23 H VAL 4 HN VAL 4 -5.141 -4.876 -2.447 24 HA VAL 4 HA VAL 4 -5.286 -7.226 -4.279 25 HB VAL 4 HB VAL 4 -4.639 -5.755 -6.188 26 HG11 VAL 4 HG11 VAL 4 -7.024 -6.444 -5.645 27 HG12 VAL 4 HG12 VAL 4 -6.860 -5.001 -6.646 28 HG13 VAL 4 HG13 VAL 4 -7.233 -4.845 -4.928 29 HG21 VAL 4 HG21 VAL 4 -5.171 -3.282 -5.853 30 HG22 VAL 4 HG22 VAL 4 -3.694 -3.855 -5.078 31 HG23 VAL 4 HG23 VAL 4 -5.153 -3.603 -4.119 32 H LYS 5 HN LYS 5 -3.168 -7.604 -5.347 33 HA LYS 5 HA LYS 5 -1.016 -7.361 -3.420 34 HB2 LYS 5 HB2 LYS 5 -1.100 -8.405 -6.258 35 HB3 LYS 5 HB1 LYS 5 0.313 -8.516 -5.209 36 HG2 LYS 5 HG2 LYS 5 -1.016 -9.774 -3.550 37 HG3 LYS 5 HG1 LYS 5 -2.424 -9.672 -4.606 38 HD2 LYS 5 HD2 LYS 5 -1.251 -10.929 -6.345 39 HD3 LYS 5 HD1 LYS 5 0.206 -10.981 -5.351 40 HE2 LYS 5 HE2 LYS 5 -1.031 -13.090 -5.138 41 HE3 LYS 5 HE1 LYS 5 -1.046 -12.219 -3.605 42 HZ1 LYS 5 HZ1 LYS 5 -3.232 -11.278 -4.330 43 HZ2 LYS 5 HZ2 LYS 5 -3.241 -12.946 -4.005 44 HZ3 LYS 5 HZ3 LYS 5 -3.221 -12.391 -5.610 45 H ILE 6 HN ILE 6 0.981 -6.256 -3.715 46 HA ILE 6 HA ILE 6 0.806 -3.615 -4.756 47 HB ILE 6 HB ILE 6 3.211 -5.316 -4.050 48 HG12 ILE 6 HG12 ILE 6 1.906 -3.034 -2.541 49 HG13 ILE 6 HG11 ILE 6 1.510 -4.730 -2.259 50 HG21 ILE 6 HG21 ILE 6 4.312 -3.000 -3.849 51 HG22 ILE 6 HG22 ILE 6 2.963 -2.401 -4.813 52 HG23 ILE 6 HG23 ILE 6 4.054 -3.611 -5.483 53 HD11 ILE 6 HD11 ILE 6 3.255 -3.847 -0.688 54 HD12 ILE 6 HD12 ILE 6 4.312 -3.593 -2.078 55 HD13 ILE 6 HD13 ILE 6 3.803 -5.225 -1.644 56 H ARG 7 HN ARG 7 2.299 -6.557 -6.078 57 HA ARG 7 HA ARG 7 3.479 -5.413 -8.384 58 HB2 ARG 7 HB2 ARG 7 2.351 -8.177 -7.869 59 HB3 ARG 7 HB1 ARG 7 3.239 -7.756 -9.335 60 HG2 ARG 7 HG2 ARG 7 5.192 -7.115 -8.004 61 HG3 ARG 7 HG1 ARG 7 4.309 -7.449 -6.513 62 HD2 ARG 7 HD2 ARG 7 4.807 -9.522 -8.663 63 HD3 ARG 7 HD1 ARG 7 5.833 -9.323 -7.241 64 HE ARG 7 HE ARG 7 3.145 -9.582 -6.351 65 HH11 ARG 7 HH21 ARG 7 5.648 -11.359 -7.935 66 HH12 ARG 7 HH22 ARG 7 5.106 -12.896 -7.348 67 HH21 ARG 7 HH11 ARG 7 2.430 -11.580 -5.577 68 HH22 ARG 7 HH12 ARG 7 3.287 -13.020 -6.015 69 H ASP 8 HN ASP 8 0.127 -6.377 -7.772 70 HA ASP 8 HA ASP 8 -0.601 -6.062 -10.602 71 HB2 ASP 8 HB2 ASP 8 -2.841 -6.644 -9.902 72 HB3 ASP 8 HB1 ASP 8 -1.714 -7.717 -9.080 73 H VAL 9 HN VAL 9 0.333 -3.797 -8.568 74 HA VAL 9 HA VAL 9 -1.856 -1.927 -8.509 75 HB VAL 9 HB VAL 9 1.143 -1.596 -8.247 76 HG11 VAL 9 HG11 VAL 9 0.415 0.536 -9.019 77 HG12 VAL 9 HG12 VAL 9 0.461 0.679 -7.262 78 HG13 VAL 9 HG13 VAL 9 -1.080 0.448 -8.087 79 HG21 VAL 9 HG21 VAL 9 -0.957 -1.174 -6.121 80 HG22 VAL 9 HG22 VAL 9 0.746 -1.596 -5.931 81 HG23 VAL 9 HG23 VAL 9 -0.404 -2.802 -6.509 82 H SER 10 HN SER 10 -2.566 -0.542 -10.069 83 HA SER 10 HA SER 10 -0.825 0.348 -12.235 84 HB2 SER 10 HB2 SER 10 -3.145 -1.493 -12.862 85 HB3 SER 10 HB1 SER 10 -2.192 -0.615 -14.053 86 HG SER 10 HG SER 10 -1.628 -2.911 -12.687 87 H LEU 11 HN LEU 11 -2.144 1.708 -13.821 88 HA LEU 11 HA LEU 11 -3.661 3.661 -12.384 89 HB2 LEU 11 HB2 LEU 11 -3.643 3.187 -15.378 90 HB3 LEU 11 HB1 LEU 11 -4.002 4.700 -14.544 91 HG LEU 11 HG LEU 11 -1.343 3.241 -14.472 92 HD11 LEU 11 HD11 LEU 11 -2.099 5.852 -15.810 93 HD12 LEU 11 HD12 LEU 11 -1.912 4.315 -16.655 94 HD13 LEU 11 HD13 LEU 11 -0.525 5.060 -15.861 95 HD21 LEU 11 HD21 LEU 11 -2.398 5.730 -13.124 96 HD22 LEU 11 HD22 LEU 11 -0.679 5.577 -13.487 97 HD23 LEU 11 HD23 LEU 11 -1.461 4.407 -12.430 98 H SER 12 HN SER 12 -4.593 0.866 -14.339 99 HA SER 12 HA SER 12 -7.307 1.384 -14.767 100 HB2 SER 12 HB2 SER 12 -6.104 -0.638 -15.580 101 HB3 SER 12 HB1 SER 12 -6.110 -1.278 -13.938 102 HG SER 12 HG SER 12 -8.216 -1.627 -14.071 103 H THR 13 HN THR 13 -5.677 0.934 -11.774 104 HA THR 13 HA THR 13 -8.310 0.746 -10.333 105 HB THR 13 HB THR 13 -7.220 -0.486 -8.599 106 HG1 THR 13 HG1 THR 13 -4.986 0.592 -9.780 107 HG21 THR 13 HG21 THR 13 -6.056 -1.596 -11.154 108 HG22 THR 13 HG22 THR 13 -7.779 -1.677 -10.782 109 HG23 THR 13 HG23 THR 13 -6.612 -2.487 -9.737 110 HA PRO 14 HA PRO 14 -6.417 4.952 -9.603 111 HB2 PRO 14 HB2 PRO 14 -9.273 5.353 -8.777 112 HB3 PRO 14 HB1 PRO 14 -8.229 6.395 -9.766 113 HG2 PRO 14 HG2 PRO 14 -10.142 4.902 -10.873 114 HG3 PRO 14 HG1 PRO 14 -8.585 5.157 -11.682 115 HD2 PRO 14 HD2 PRO 14 -9.594 2.716 -10.270 116 HD3 PRO 14 HD1 PRO 14 -8.508 2.842 -11.669 117 H TYR 15 HN TYR 15 -8.715 3.159 -7.550 118 HA TYR 15 HA TYR 15 -7.170 4.062 -5.137 119 HB2 TYR 15 HB2 TYR 15 -10.123 3.436 -5.410 120 HB3 TYR 15 HB1 TYR 15 -9.307 3.766 -3.885 121 HD1 TYR 15 HD1 TYR 15 -7.893 5.976 -3.787 122 HD2 TYR 15 HD2 TYR 15 -11.031 5.234 -6.626 123 HE1 TYR 15 HE1 TYR 15 -8.125 8.417 -4.168 124 HE2 TYR 15 HE2 TYR 15 -11.264 7.674 -7.006 125 HH TYR 15 HH TYR 15 -9.216 9.817 -6.503 126 H VAL 16 HN VAL 16 -6.248 2.415 -4.005 127 HA VAL 16 HA VAL 16 -7.470 -0.296 -4.118 128 HB VAL 16 HB VAL 16 -5.203 -1.293 -4.528 129 HG11 VAL 16 HG11 VAL 16 -6.943 -0.915 -6.319 130 HG12 VAL 16 HG12 VAL 16 -5.285 -0.973 -6.918 131 HG13 VAL 16 HG13 VAL 16 -6.102 0.579 -6.733 132 HG21 VAL 16 HG21 VAL 16 -3.902 0.716 -3.835 133 HG22 VAL 16 HG22 VAL 16 -4.495 1.568 -5.261 134 HG23 VAL 16 HG23 VAL 16 -3.450 0.159 -5.446 135 H SER 17 HN SER 17 -6.602 -1.708 -2.424 136 HA SER 17 HA SER 17 -5.483 -0.171 -0.094 137 HB2 SER 17 HB2 SER 17 -7.371 -2.544 -0.124 138 HB3 SER 17 HB1 SER 17 -6.683 -1.825 1.326 139 HG SER 17 HG SER 17 -8.820 -1.061 0.697 140 H VAL 18 HN VAL 18 -3.605 -0.978 0.764 141 HA VAL 18 HA VAL 18 -2.756 -3.752 0.017 142 HB VAL 18 HB VAL 18 -0.446 -2.887 -0.345 143 HG11 VAL 18 HG11 VAL 18 -2.072 -3.243 -2.227 144 HG12 VAL 18 HG12 VAL 18 -0.861 -2.007 -2.570 145 HG13 VAL 18 HG13 VAL 18 -2.501 -1.536 -2.120 146 HG21 VAL 18 HG21 VAL 18 -0.494 -0.837 0.913 147 HG22 VAL 18 HG22 VAL 18 -1.864 -0.227 -0.014 148 HG23 VAL 18 HG23 VAL 18 -0.283 -0.386 -0.778 149 H ILE 19 HN ILE 19 -1.004 -4.540 1.439 150 HA ILE 19 HA ILE 19 -1.035 -3.255 4.155 151 HB ILE 19 HB ILE 19 -1.184 -6.204 3.464 152 HG12 ILE 19 HG12 ILE 19 -3.167 -4.435 4.920 153 HG13 ILE 19 HG11 ILE 19 -3.286 -4.812 3.203 154 HG21 ILE 19 HG21 ILE 19 0.136 -6.000 5.439 155 HG22 ILE 19 HG22 ILE 19 -1.496 -6.359 6.005 156 HG23 ILE 19 HG23 ILE 19 -0.882 -4.707 6.074 157 HD11 ILE 19 HD11 ILE 19 -3.489 -6.707 5.547 158 HD12 ILE 19 HD12 ILE 19 -3.193 -7.284 3.907 159 HD13 ILE 19 HD13 ILE 19 -4.677 -6.411 4.279 160 H GLY 20 HN GLY 20 0.985 -2.999 5.035 161 HA2 GLY 20 HA2 GLY 20 3.179 -4.745 4.713 162 HA3 GLY 20 HA1 GLY 20 3.317 -3.525 3.446 163 H LYS 21 HN LYS 21 5.330 -2.973 4.640 164 HA LYS 21 HA LYS 21 4.752 -1.075 6.899 165 HB2 LYS 21 HB2 LYS 21 6.943 -1.657 7.850 166 HB3 LYS 21 HB1 LYS 21 5.920 -3.087 7.727 167 HG2 LYS 21 HG2 LYS 21 7.030 -3.668 5.579 168 HG3 LYS 21 HG1 LYS 21 8.102 -2.280 5.783 169 HD2 LYS 21 HD2 LYS 21 8.929 -3.215 7.903 170 HD3 LYS 21 HD1 LYS 21 7.852 -4.600 7.719 171 HE2 LYS 21 HE2 LYS 21 8.986 -5.203 5.611 172 HE3 LYS 21 HE1 LYS 21 10.070 -3.825 5.804 173 HZ1 LYS 21 HZ1 LYS 21 10.818 -6.129 6.629 174 HZ2 LYS 21 HZ2 LYS 21 9.806 -5.816 7.956 175 HZ3 LYS 21 HZ3 LYS 21 11.105 -4.778 7.612 176 H ILE 22 HN ILE 22 5.785 0.889 6.811 177 HA ILE 22 HA ILE 22 7.017 1.577 4.192 178 HB ILE 22 HB ILE 22 5.909 3.286 6.439 179 HG12 ILE 22 HG12 ILE 22 4.309 3.900 4.468 180 HG13 ILE 22 HG11 ILE 22 4.909 2.431 3.711 181 HG21 ILE 22 HG21 ILE 22 7.548 4.674 5.535 182 HG22 ILE 22 HG22 ILE 22 6.163 5.076 4.523 183 HG23 ILE 22 HG23 ILE 22 7.407 3.977 3.923 184 HD11 ILE 22 HD11 ILE 22 3.849 2.356 6.537 185 HD12 ILE 22 HD12 ILE 22 3.973 1.046 5.365 186 HD13 ILE 22 HD13 ILE 22 2.750 2.296 5.163 187 H THR 23 HN THR 23 9.122 2.115 3.998 188 HA THR 23 HA THR 23 10.718 2.723 6.450 189 HB THR 23 HB THR 23 12.545 1.321 5.572 190 HG1 THR 23 HG1 THR 23 12.285 1.151 3.459 191 HG21 THR 23 HG21 THR 23 9.870 -0.062 5.882 192 HG22 THR 23 HG22 THR 23 11.038 0.287 7.156 193 HG23 THR 23 HG23 THR 23 11.423 -0.896 5.906 194 H GLY 24 HN GLY 24 12.678 3.956 5.986 195 HA2 GLY 24 HA2 GLY 24 13.949 5.551 4.822 196 HA3 GLY 24 HA1 GLY 24 13.289 4.891 3.328 197 H ILE 25 HN ILE 25 12.504 7.087 6.024 198 HA ILE 25 HA ILE 25 10.335 8.321 4.421 199 HB ILE 25 HB ILE 25 11.312 8.624 7.266 200 HG12 ILE 25 HG12 ILE 25 9.063 7.924 7.814 201 HG13 ILE 25 HG11 ILE 25 8.552 8.086 6.134 202 HG21 ILE 25 HG21 ILE 25 9.371 10.333 7.441 203 HG22 ILE 25 HG22 ILE 25 9.539 10.485 5.691 204 HG23 ILE 25 HG23 ILE 25 10.893 10.890 6.743 205 HD11 ILE 25 HD11 ILE 25 9.851 6.224 5.447 206 HD12 ILE 25 HD12 ILE 25 9.080 5.715 6.949 207 HD13 ILE 25 HD13 ILE 25 10.771 6.210 6.952 208 H HIS 26 HN HIS 26 10.803 9.940 3.058 209 HA HIS 26 HA HIS 26 13.207 11.665 3.585 210 HB2 HIS 26 HB2 HIS 26 11.864 10.895 0.974 211 HB3 HIS 26 HB1 HIS 26 13.176 12.067 1.114 212 HD1 HIS 26 HD1 HIS 26 12.439 8.393 1.413 213 HD2 HIS 26 HD2 HIS 26 15.728 10.941 1.673 214 HE1 HIS 26 HE1 HIS 26 14.491 6.910 1.458 215 H LYS 27 HN LYS 27 12.664 13.710 4.160 216 HA LYS 27 HA LYS 27 9.883 14.624 3.848 217 HB2 LYS 27 HB2 LYS 27 11.143 15.028 5.947 218 HB3 LYS 27 HB1 LYS 27 12.292 16.021 5.050 219 HG2 LYS 27 HG2 LYS 27 10.503 17.578 4.430 220 HG3 LYS 27 HG1 LYS 27 9.316 16.567 5.256 221 HD2 LYS 27 HD2 LYS 27 10.495 16.924 7.392 222 HD3 LYS 27 HD1 LYS 27 11.681 17.937 6.569 223 HE2 LYS 27 HE2 LYS 27 9.984 19.349 7.630 224 HE3 LYS 27 HE1 LYS 27 9.853 19.472 5.875 225 HZ1 LYS 27 HZ1 LYS 27 7.796 18.939 7.482 226 HZ2 LYS 27 HZ2 LYS 27 8.292 17.360 7.099 227 HZ3 LYS 27 HZ3 LYS 27 7.874 18.446 5.862 228 H LYS 28 HN LYS 28 9.191 16.100 2.358 229 HA LYS 28 HA LYS 28 11.159 17.765 0.890 230 HB2 LYS 28 HB2 LYS 28 10.912 15.665 -0.437 231 HB3 LYS 28 HB1 LYS 28 9.175 15.960 -0.530 232 HG2 LYS 28 HG2 LYS 28 9.565 18.080 -1.684 233 HG3 LYS 28 HG1 LYS 28 11.309 17.863 -1.534 234 HD2 LYS 28 HD2 LYS 28 11.164 15.798 -2.884 235 HD3 LYS 28 HD1 LYS 28 9.423 16.034 -3.048 236 HE2 LYS 28 HE2 LYS 28 9.804 18.182 -4.179 237 HE3 LYS 28 HE1 LYS 28 11.547 17.980 -3.992 238 HZ1 LYS 28 HZ1 LYS 28 10.083 17.134 -6.107 239 HZ2 LYS 28 HZ2 LYS 28 10.262 15.714 -5.193 240 HZ3 LYS 28 HZ3 LYS 28 11.633 16.579 -5.701 241 H GLU 29 HN GLU 29 10.130 19.604 -0.125 242 HA GLU 29 HA GLU 29 7.341 20.132 0.871 243 HB2 GLU 29 HB2 GLU 29 9.694 21.991 0.460 244 HB3 GLU 29 HB1 GLU 29 8.048 22.557 0.761 245 HG2 GLU 29 HG2 GLU 29 7.986 21.330 2.879 246 HG3 GLU 29 HG1 GLU 29 9.602 20.689 2.577 247 H TYR 30 HN TYR 30 5.856 21.018 -0.595 248 HA TYR 30 HA TYR 30 6.823 21.616 -3.358 249 HB2 TYR 30 HB2 TYR 30 5.141 20.195 -4.370 250 HB3 TYR 30 HB1 TYR 30 6.112 19.217 -3.271 251 HD1 TYR 30 HD1 TYR 30 5.225 18.979 -0.820 252 HD2 TYR 30 HD2 TYR 30 2.804 20.204 -4.150 253 HE1 TYR 30 HE1 TYR 30 3.181 18.326 0.423 254 HE2 TYR 30 HE2 TYR 30 0.762 19.553 -2.907 255 HH TYR 30 HH TYR 30 0.417 19.281 0.053 256 H GLU 31 HN GLU 31 5.113 22.748 -4.632 257 HA GLU 31 HA GLU 31 3.672 24.639 -2.880 258 HB2 GLU 31 HB2 GLU 31 5.017 25.398 -4.861 259 HB3 GLU 31 HB1 GLU 31 3.870 24.565 -5.909 260 HG2 GLU 31 HG2 GLU 31 3.211 26.882 -5.810 261 HG3 GLU 31 HG1 GLU 31 2.038 25.963 -4.868 262 H SER 32 HN SER 32 1.849 23.589 -2.097 263 HA SER 32 HA SER 32 0.137 21.994 -3.870 264 HB2 SER 32 HB2 SER 32 0.559 21.503 -1.406 265 HB3 SER 32 HB1 SER 32 -0.458 22.895 -1.045 266 HG SER 32 HG SER 32 -2.115 21.678 -1.426 267 H ASP 33 HN ASP 33 -2.342 22.860 -2.557 268 HA ASP 33 HA ASP 33 -3.381 24.654 -4.426 269 HB2 ASP 33 HB2 ASP 33 -4.179 24.115 -1.556 270 HB3 ASP 33 HB1 ASP 33 -5.132 25.141 -2.632 271 H GLY 34 HN GLY 34 -1.744 26.299 -4.692 272 HA2 GLY 34 HA2 GLY 34 -0.757 28.390 -4.265 273 HA3 GLY 34 HA1 GLY 34 -2.317 28.777 -3.539 274 H THR 35 HN THR 35 -0.713 26.125 -2.085 275 HA THR 35 HA THR 35 0.563 27.862 -0.016 276 HB THR 35 HB THR 35 -0.493 26.429 1.759 277 HG1 THR 35 HG1 THR 35 -1.411 25.199 -0.479 278 HG21 THR 35 HG21 THR 35 -2.656 27.580 1.678 279 HG22 THR 35 HG22 THR 35 -2.422 27.925 -0.036 280 HG23 THR 35 HG23 THR 35 -1.368 28.670 1.166 281 H THR 36 HN THR 36 2.322 26.870 1.011 282 HA THR 36 HA THR 36 3.442 24.559 -0.421 283 HB THR 36 HB THR 36 4.561 26.126 1.923 284 HG1 THR 36 HG1 THR 36 4.893 26.389 -0.881 285 HG21 THR 36 HG21 THR 36 6.731 25.226 0.942 286 HG22 THR 36 HG22 THR 36 5.736 24.138 -0.025 287 HG23 THR 36 HG23 THR 36 5.700 24.035 1.735 288 H LYS 37 HN LYS 37 3.335 22.488 0.302 289 HA LYS 37 HA LYS 37 2.647 22.004 3.185 290 HB2 LYS 37 HB2 LYS 37 1.500 20.653 0.730 291 HB3 LYS 37 HB1 LYS 37 1.295 20.041 2.372 292 HG2 LYS 37 HG2 LYS 37 0.244 22.172 3.035 293 HG3 LYS 37 HG1 LYS 37 0.443 22.782 1.392 294 HD2 LYS 37 HD2 LYS 37 -0.977 20.959 0.536 295 HD3 LYS 37 HD1 LYS 37 -1.174 20.340 2.177 296 HE2 LYS 37 HE2 LYS 37 -2.227 22.464 2.857 297 HE3 LYS 37 HE1 LYS 37 -2.029 23.088 1.219 298 HZ1 LYS 37 HZ1 LYS 37 -3.575 21.619 0.378 299 HZ2 LYS 37 HZ2 LYS 37 -4.254 22.019 1.882 300 HZ3 LYS 37 HZ3 LYS 37 -3.438 20.543 1.683 301 H SER 38 HN SER 38 3.626 20.182 4.104 302 HA SER 38 HA SER 38 6.080 19.292 2.758 303 HB2 SER 38 HB2 SER 38 6.368 18.010 4.939 304 HB3 SER 38 HB1 SER 38 6.264 19.760 5.106 305 HG SER 38 HG SER 38 4.898 18.437 6.542 306 H VAL 39 HN VAL 39 6.554 17.067 2.310 307 HA VAL 39 HA VAL 39 4.302 15.130 2.454 308 HB VAL 39 HB VAL 39 4.176 16.199 0.203 309 HG11 VAL 39 HG11 VAL 39 5.989 15.893 -1.397 310 HG12 VAL 39 HG12 VAL 39 6.943 15.023 -0.197 311 HG13 VAL 39 HG13 VAL 39 6.603 16.739 0.023 312 HG21 VAL 39 HG21 VAL 39 3.453 13.890 0.390 313 HG22 VAL 39 HG22 VAL 39 5.114 13.313 0.282 314 HG23 VAL 39 HG23 VAL 39 4.349 14.064 -1.116 315 H TYR 40 HN TYR 40 5.042 13.056 2.845 316 HA TYR 40 HA TYR 40 8.014 12.729 3.100 317 HB2 TYR 40 HB2 TYR 40 5.766 11.150 4.398 318 HB3 TYR 40 HB1 TYR 40 7.487 10.956 4.707 319 HD1 TYR 40 HD2 TYR 40 8.771 12.675 5.905 320 HD2 TYR 40 HD1 TYR 40 4.551 13.100 5.231 321 HE1 TYR 40 HE2 TYR 40 8.688 14.496 7.583 322 HE2 TYR 40 HE1 TYR 40 4.469 14.926 6.908 323 HH TYR 40 HH TYR 40 5.655 16.238 8.256 324 H GLN 41 HN GLN 41 9.005 11.247 1.807 325 HA GLN 41 HA GLN 41 7.280 9.372 0.213 326 HB2 GLN 41 HB2 GLN 41 9.833 10.809 -0.545 327 HB3 GLN 41 HB1 GLN 41 9.113 9.517 -1.507 328 HG2 GLN 41 HG2 GLN 41 7.043 10.816 -1.740 329 HG3 GLN 41 HG1 GLN 41 7.723 12.101 -0.739 330 HE21 GLN 41 HE21 GLN 41 7.098 13.170 -3.045 331 HE22 GLN 41 HE22 GLN 41 8.396 13.275 -4.134 332 H GLY 42 HN GLY 42 8.042 7.239 -0.023 333 HA2 GLY 42 HA2 GLY 42 10.642 6.432 0.951 334 HA3 GLY 42 HA1 GLY 42 9.381 6.069 2.129 335 H TYR 43 HN TYR 43 10.217 3.817 1.551 336 HA TYR 43 HA TYR 43 8.769 2.751 -0.858 337 HB2 TYR 43 HB2 TYR 43 11.284 1.785 0.532 338 HB3 TYR 43 HB1 TYR 43 10.435 0.866 -0.713 339 HD1 TYR 43 HD2 TYR 43 12.305 3.995 -0.016 340 HD2 TYR 43 HD1 TYR 43 10.542 1.487 -3.024 341 HE1 TYR 43 HE2 TYR 43 13.448 5.311 -1.783 342 HE2 TYR 43 HE1 TYR 43 11.683 2.799 -4.790 343 HH TYR 43 HH TYR 43 12.706 4.883 -5.158 344 H ILE 44 HN ILE 44 7.398 1.025 -0.535 345 HA ILE 44 HA ILE 44 7.037 0.082 2.295 346 HB ILE 44 HB ILE 44 5.136 1.453 1.393 347 HG12 ILE 44 HG12 ILE 44 4.397 -1.464 1.727 348 HG13 ILE 44 HG11 ILE 44 4.885 -0.437 3.074 349 HG21 ILE 44 HG21 ILE 44 3.833 0.674 -0.444 350 HG22 ILE 44 HG22 ILE 44 4.669 -0.878 -0.473 351 HG23 ILE 44 HG23 ILE 44 5.508 0.586 -0.986 352 HD11 ILE 44 HD11 ILE 44 3.054 1.146 2.493 353 HD12 ILE 44 HD12 ILE 44 2.449 -0.456 2.915 354 HD13 ILE 44 HD13 ILE 44 2.532 0.038 1.224 355 H GLU 45 HN GLU 45 6.799 -2.163 2.574 356 HA GLU 45 HA GLU 45 7.073 -3.847 0.095 357 HB2 GLU 45 HB2 GLU 45 8.575 -4.486 2.630 358 HB3 GLU 45 HB1 GLU 45 8.876 -5.056 0.988 359 HG2 GLU 45 HG2 GLU 45 9.496 -2.730 0.333 360 HG3 GLU 45 HG1 GLU 45 9.295 -2.232 2.010 361 H ASP 46 HN ASP 46 6.458 -6.095 0.435 362 HA ASP 46 HA ASP 46 4.986 -6.816 2.867 363 HB2 ASP 46 HB2 ASP 46 3.395 -5.425 1.420 364 HB3 ASP 46 HB1 ASP 46 3.476 -6.739 0.247 365 H ASP 47 HN ASP 47 3.586 -8.989 1.882 366 HA ASP 47 HA ASP 47 5.673 -10.914 1.430 367 HB2 ASP 47 HB2 ASP 47 2.653 -11.065 1.233 368 HB3 ASP 47 HB1 ASP 47 3.703 -12.469 1.028 369 H THR 48 HN THR 48 3.891 -8.871 -0.685 370 HA THR 48 HA THR 48 4.255 -10.614 -3.046 371 HB THR 48 HB THR 48 3.140 -8.757 -4.252 372 HG1 THR 48 HG1 THR 48 2.259 -7.147 -2.629 373 HG21 THR 48 HG21 THR 48 1.900 -9.824 -1.715 374 HG22 THR 48 HG22 THR 48 1.632 -10.358 -3.374 375 HG23 THR 48 HG23 THR 48 0.989 -8.809 -2.832 376 H ALA 49 HN ALA 49 4.955 -7.121 -2.678 377 HA ALA 49 HA ALA 49 7.786 -7.539 -3.337 378 HB1 ALA 49 HB1 ALA 49 6.460 -7.657 -5.532 379 HB2 ALA 49 HB2 ALA 49 7.787 -6.497 -5.472 380 HB3 ALA 49 HB3 ALA 49 6.121 -5.943 -5.289 381 H ARG 50 HN ARG 50 7.803 -4.740 -4.516 382 HA ARG 50 HA ARG 50 6.971 -3.118 -2.176 383 HB2 ARG 50 HB2 ARG 50 9.212 -2.146 -1.913 384 HB3 ARG 50 HB1 ARG 50 9.264 -3.890 -1.664 385 HG2 ARG 50 HG2 ARG 50 10.042 -4.196 -3.992 386 HG3 ARG 50 HG1 ARG 50 10.021 -2.447 -4.224 387 HD2 ARG 50 HD2 ARG 50 11.659 -2.194 -2.381 388 HD3 ARG 50 HD1 ARG 50 11.707 -3.948 -2.195 389 HE ARG 50 HE ARG 50 12.299 -3.364 -4.907 390 HH11 ARG 50 HH21 ARG 50 13.544 -2.890 -1.722 391 HH12 ARG 50 HH22 ARG 50 15.198 -2.843 -2.233 392 HH21 ARG 50 HH11 ARG 50 14.460 -3.306 -5.589 393 HH22 ARG 50 HH12 ARG 50 15.715 -3.078 -4.417 394 H ILE 51 HN ILE 51 6.897 -0.841 -2.625 395 HA ILE 51 HA ILE 51 7.520 0.071 -5.366 396 HB ILE 51 HB ILE 51 5.253 -0.909 -5.600 397 HG12 ILE 51 HG12 ILE 51 5.110 2.116 -5.649 398 HG13 ILE 51 HG11 ILE 51 6.027 1.187 -6.834 399 HG21 ILE 51 HG21 ILE 51 4.356 1.240 -3.667 400 HG22 ILE 51 HG22 ILE 51 4.641 -0.429 -3.172 401 HG23 ILE 51 HG23 ILE 51 3.388 -0.062 -4.359 402 HD11 ILE 51 HD11 ILE 51 3.092 0.709 -6.264 403 HD12 ILE 51 HD12 ILE 51 4.046 0.055 -7.597 404 HD13 ILE 51 HD13 ILE 51 3.667 1.778 -7.544 405 H ARG 52 HN ARG 52 7.280 2.443 -5.561 406 HA ARG 52 HA ARG 52 8.092 3.779 -3.110 407 HB2 ARG 52 HB2 ARG 52 8.990 4.418 -5.337 408 HB3 ARG 52 HB1 ARG 52 7.383 4.974 -5.806 409 HG2 ARG 52 HG2 ARG 52 7.397 6.631 -3.997 410 HG3 ARG 52 HG1 ARG 52 8.968 6.045 -3.451 411 HD2 ARG 52 HD2 ARG 52 9.282 8.045 -4.818 412 HD3 ARG 52 HD1 ARG 52 9.924 6.642 -5.672 413 HE ARG 52 HE ARG 52 8.161 6.837 -7.262 414 HH11 ARG 52 HH21 ARG 52 7.762 8.929 -4.539 415 HH12 ARG 52 HH22 ARG 52 6.497 9.854 -5.275 416 HH21 ARG 52 HH11 ARG 52 6.510 8.039 -8.227 417 HH22 ARG 52 HH12 ARG 52 5.789 9.351 -7.358 418 H ILE 53 HN ILE 53 6.944 5.342 -1.932 419 HA ILE 53 HA ILE 53 4.063 5.754 -2.641 420 HB ILE 53 HB ILE 53 3.468 5.467 -0.257 421 HG12 ILE 53 HG12 ILE 53 6.279 4.385 0.099 422 HG13 ILE 53 HG11 ILE 53 5.817 6.013 0.587 423 HG21 ILE 53 HG21 ILE 53 3.452 3.096 -0.297 424 HG22 ILE 53 HG22 ILE 53 4.976 3.016 -1.180 425 HG23 ILE 53 HG23 ILE 53 3.511 3.561 -1.996 426 HD11 ILE 53 HD11 ILE 53 5.705 4.172 2.376 427 HD12 ILE 53 HD12 ILE 53 4.268 3.605 1.530 428 HD13 ILE 53 HD13 ILE 53 4.305 5.228 2.216 429 H SER 54 HN SER 54 3.127 7.623 -1.462 430 HA SER 54 HA SER 54 5.100 9.581 -0.418 431 HB2 SER 54 HB2 SER 54 4.879 9.998 -2.872 432 HB3 SER 54 HB1 SER 54 3.149 10.229 -2.645 433 HG SER 54 HG SER 54 5.232 11.708 -1.398 434 H SER 55 HN SER 55 4.265 10.556 1.357 435 HA SER 55 HA SER 55 1.299 10.400 1.795 436 HB2 SER 55 HB2 SER 55 2.503 9.102 3.455 437 HB3 SER 55 HB1 SER 55 3.604 10.442 3.764 438 HG SER 55 HG SER 55 0.819 10.767 4.039 439 H PHE 56 HN PHE 56 0.292 12.324 1.676 440 HA PHE 56 HA PHE 56 1.917 14.815 1.875 441 HB2 PHE 56 HB2 PHE 56 -0.883 14.242 0.867 442 HB3 PHE 56 HB1 PHE 56 -0.189 15.862 0.958 443 HD1 PHE 56 HD1 PHE 56 1.859 16.422 -0.360 444 HD2 PHE 56 HD2 PHE 56 -0.219 12.696 -0.850 445 HE1 PHE 56 HE1 PHE 56 3.026 16.056 -2.516 446 HE2 PHE 56 HE2 PHE 56 0.951 12.329 -3.008 447 HZ PHE 56 HZ PHE 56 2.571 14.009 -3.841 448 H GLY 57 HN GLY 57 1.943 15.876 3.787 449 HA2 GLY 57 HA2 GLY 57 0.965 17.025 5.628 450 HA3 GLY 57 HA1 GLY 57 -0.557 16.197 5.315 451 H LYS 58 HN LYS 58 -0.267 13.654 5.658 452 HA LYS 58 HA LYS 58 0.377 13.338 8.458 453 HB2 LYS 58 HB2 LYS 58 -0.316 11.330 6.301 454 HB3 LYS 58 HB1 LYS 58 -0.150 10.923 8.010 455 HG2 LYS 58 HG2 LYS 58 -1.916 12.540 8.578 456 HG3 LYS 58 HG1 LYS 58 -2.077 12.973 6.875 457 HD2 LYS 58 HD2 LYS 58 -2.663 10.608 6.361 458 HD3 LYS 58 HD1 LYS 58 -2.587 10.243 8.085 459 HE2 LYS 58 HE2 LYS 58 -4.435 12.280 6.812 460 HE3 LYS 58 HE1 LYS 58 -4.913 10.673 7.359 461 HZ1 LYS 58 HZ1 LYS 58 -3.933 12.933 9.002 462 HZ2 LYS 58 HZ2 LYS 58 -4.025 11.343 9.592 463 HZ3 LYS 58 HZ3 LYS 58 -5.435 12.150 9.096 464 H GLN 59 HN GLN 59 2.188 12.493 9.411 465 HA GLN 59 HA GLN 59 4.526 11.935 7.655 466 HB2 GLN 59 HB2 GLN 59 4.830 13.563 9.490 467 HB3 GLN 59 HB1 GLN 59 4.370 12.324 10.659 468 HG2 GLN 59 HG2 GLN 59 6.283 10.968 10.078 469 HG3 GLN 59 HG1 GLN 59 6.690 12.035 8.734 470 HE21 GLN 59 HE21 GLN 59 8.776 11.830 10.355 471 HE22 GLN 59 HE22 GLN 59 8.918 13.134 11.433 472 H LEU 60 HN LEU 60 5.829 10.019 8.047 473 HA LEU 60 HA LEU 60 4.360 7.769 9.392 474 HB2 LEU 60 HB2 LEU 60 5.907 7.683 6.786 475 HB3 LEU 60 HB1 LEU 60 5.162 6.297 7.581 476 HG LEU 60 HG LEU 60 3.652 8.756 6.642 477 HD11 LEU 60 HD11 LEU 60 2.797 7.226 4.868 478 HD12 LEU 60 HD12 LEU 60 3.930 5.995 5.422 479 HD13 LEU 60 HD13 LEU 60 4.534 7.504 4.739 480 HD21 LEU 60 HD21 LEU 60 2.329 7.814 8.340 481 HD22 LEU 60 HD22 LEU 60 2.867 6.171 7.991 482 HD23 LEU 60 HD23 LEU 60 1.726 6.976 6.914 483 H GLN 61 HN GLN 61 5.797 5.986 10.048 484 HA GLN 61 HA GLN 61 8.533 6.986 10.770 485 HB2 GLN 61 HB2 GLN 61 6.633 5.118 12.197 486 HB3 GLN 61 HB1 GLN 61 8.332 5.275 12.642 487 HG2 GLN 61 HG2 GLN 61 8.028 7.678 13.022 488 HG3 GLN 61 HG1 GLN 61 6.340 7.558 12.522 489 HE21 GLN 61 HE21 GLN 61 7.890 8.037 15.264 490 HE22 GLN 61 HE22 GLN 61 7.018 7.052 16.337 491 H ASP 62 HN ASP 62 10.260 5.498 10.691 492 HA ASP 62 HA ASP 62 10.297 3.832 8.398 493 HB2 ASP 62 HB2 ASP 62 12.296 4.904 9.362 494 HB3 ASP 62 HB1 ASP 62 12.187 3.839 10.762 495 H SER 63 HN SER 63 10.059 1.642 8.106 496 HA SER 63 HA SER 63 9.356 -0.542 8.554 497 HB2 SER 63 HB2 SER 63 10.340 -0.184 11.383 498 HB3 SER 63 HB1 SER 63 10.376 -1.626 10.373 499 HG SER 63 HG SER 63 12.197 -0.972 9.551 500 H ASP 64 HN ASP 64 7.573 1.789 9.140 501 HA ASP 64 HA ASP 64 6.049 0.958 11.519 502 HB2 ASP 64 HB2 ASP 64 6.225 3.334 10.822 503 HB3 ASP 64 HB1 ASP 64 5.342 2.952 9.347 504 H VAL 65 HN VAL 65 4.754 -0.823 11.394 505 HA VAL 65 HA VAL 65 3.738 -1.782 8.811 506 HB VAL 65 HB VAL 65 2.943 -2.833 11.525 507 HG11 VAL 65 HG11 VAL 65 2.816 -4.958 10.315 508 HG12 VAL 65 HG12 VAL 65 3.425 -4.183 8.852 509 HG13 VAL 65 HG13 VAL 65 1.842 -3.741 9.489 510 HG21 VAL 65 HG21 VAL 65 4.979 -4.340 11.270 511 HG22 VAL 65 HG22 VAL 65 5.331 -2.661 11.675 512 HG23 VAL 65 HG23 VAL 65 5.538 -3.231 10.021 513 H VAL 66 HN VAL 66 1.960 -0.783 7.945 514 HA VAL 66 HA VAL 66 -0.361 -0.257 9.765 515 HB VAL 66 HB VAL 66 -0.717 1.954 8.709 516 HG11 VAL 66 HG11 VAL 66 0.718 1.566 10.822 517 HG12 VAL 66 HG12 VAL 66 0.898 3.115 10.000 518 HG13 VAL 66 HG13 VAL 66 2.108 1.853 9.775 519 HG21 VAL 66 HG21 VAL 66 1.222 2.917 7.409 520 HG22 VAL 66 HG22 VAL 66 0.383 1.608 6.577 521 HG23 VAL 66 HG23 VAL 66 1.927 1.302 7.372 522 H ARG 67 HN ARG 67 -2.368 0.154 8.500 523 HA ARG 67 HA ARG 67 -2.385 -1.458 5.971 524 HB2 ARG 67 HB2 ARG 67 -3.814 -2.297 7.831 525 HB3 ARG 67 HB1 ARG 67 -4.654 -0.750 7.864 526 HG2 ARG 67 HG2 ARG 67 -5.350 -1.102 5.499 527 HG3 ARG 67 HG1 ARG 67 -4.573 -2.685 5.532 528 HD2 ARG 67 HD2 ARG 67 -6.752 -1.829 7.453 529 HD3 ARG 67 HD1 ARG 67 -7.050 -2.760 5.987 530 HE ARG 67 HE ARG 67 -5.767 -3.757 8.446 531 HH11 ARG 67 HH21 ARG 67 -6.435 -4.157 5.079 532 HH12 ARG 67 HH22 ARG 67 -6.185 -5.869 5.102 533 HH21 ARG 67 HH11 ARG 67 -5.431 -5.993 8.483 534 HH22 ARG 67 HH12 ARG 67 -5.612 -6.907 7.022 535 H ILE 68 HN ILE 68 -2.732 -0.322 4.118 536 HA ILE 68 HA ILE 68 -3.758 2.494 4.351 537 HB ILE 68 HB ILE 68 -2.257 1.213 2.049 538 HG12 ILE 68 HG12 ILE 68 -0.788 1.190 3.978 539 HG13 ILE 68 HG11 ILE 68 -0.298 2.528 2.943 540 HG21 ILE 68 HG21 ILE 68 -2.737 4.119 2.772 541 HG22 ILE 68 HG22 ILE 68 -3.646 3.227 1.554 542 HG23 ILE 68 HG23 ILE 68 -1.923 3.520 1.327 543 HD11 ILE 68 HD11 ILE 68 -1.776 2.618 5.566 544 HD12 ILE 68 HD12 ILE 68 -1.896 3.955 4.423 545 HD13 ILE 68 HD13 ILE 68 -0.327 3.499 5.083 546 H ASP 69 HN ASP 69 -5.740 2.881 3.576 547 HA ASP 69 HA ASP 69 -6.925 0.949 1.598 548 HB2 ASP 69 HB2 ASP 69 -7.852 0.929 3.997 549 HB3 ASP 69 HB1 ASP 69 -8.491 2.532 3.637 550 H ASN 70 HN ASN 70 -8.051 1.851 -0.105 551 HA ASN 70 HA ASN 70 -8.675 3.464 -1.670 552 HB2 ASN 70 HB2 ASN 70 -9.992 4.285 0.376 553 HB3 ASN 70 HB1 ASN 70 -8.703 5.461 0.596 554 HD21 ASN 70 HD21 ASN 70 -9.921 7.344 -0.006 555 HD22 ASN 70 HD22 ASN 70 -10.523 7.577 -1.576 556 H ALA 71 HN ALA 71 -5.914 2.939 -1.325 557 HA ALA 71 HA ALA 71 -4.408 5.420 -1.149 558 HB1 ALA 71 HB1 ALA 71 -3.558 3.006 -0.765 559 HB2 ALA 71 HB2 ALA 71 -2.507 4.091 -1.673 560 HB3 ALA 71 HB3 ALA 71 -3.480 2.889 -2.522 561 H ARG 72 HN ARG 72 -4.023 6.865 -2.804 562 HA ARG 72 HA ARG 72 -5.345 6.397 -5.383 563 HB2 ARG 72 HB2 ARG 72 -5.395 8.618 -4.296 564 HB3 ARG 72 HB1 ARG 72 -3.641 8.721 -4.439 565 HG2 ARG 72 HG2 ARG 72 -3.776 8.679 -6.856 566 HG3 ARG 72 HG1 ARG 72 -5.514 8.372 -6.795 567 HD2 ARG 72 HD2 ARG 72 -5.901 10.544 -5.752 568 HD3 ARG 72 HD1 ARG 72 -4.167 10.846 -5.678 569 HE ARG 72 HE ARG 72 -4.170 11.294 -8.020 570 HH11 ARG 72 HH21 ARG 72 -7.187 10.053 -6.872 571 HH12 ARG 72 HH22 ARG 72 -8.046 10.457 -8.319 572 HH21 ARG 72 HH11 ARG 72 -5.281 11.815 -9.909 573 HH22 ARG 72 HH12 ARG 72 -6.970 11.450 -10.036 574 H VAL 73 HN VAL 73 -4.361 5.725 -7.221 575 HA VAL 73 HA VAL 73 -1.466 5.091 -7.121 576 HB VAL 73 HB VAL 73 -3.476 4.518 -9.317 577 HG11 VAL 73 HG11 VAL 73 -1.814 2.702 -9.831 578 HG12 VAL 73 HG12 VAL 73 -0.743 3.406 -8.620 579 HG13 VAL 73 HG13 VAL 73 -1.176 4.330 -10.058 580 HG21 VAL 73 HG21 VAL 73 -4.331 3.438 -7.369 581 HG22 VAL 73 HG22 VAL 73 -2.717 2.986 -6.818 582 HG23 VAL 73 HG23 VAL 73 -3.425 2.192 -8.226 583 H ALA 74 HN ALA 74 0.040 6.294 -8.178 584 HA ALA 74 HA ALA 74 -0.839 8.171 -10.334 585 HB1 ALA 74 HB1 ALA 74 0.773 9.859 -9.314 586 HB2 ALA 74 HB2 ALA 74 0.787 8.848 -7.870 587 HB3 ALA 74 HB3 ALA 74 -0.716 9.597 -8.408 588 H GLN 75 HN GLN 75 0.875 8.686 -11.817 589 HA GLN 75 HA GLN 75 3.216 6.808 -11.680 590 HB2 GLN 75 HB2 GLN 75 1.655 6.287 -13.517 591 HB3 GLN 75 HB1 GLN 75 1.793 7.946 -14.104 592 HG2 GLN 75 HG2 GLN 75 4.152 7.649 -14.569 593 HG3 GLN 75 HG1 GLN 75 4.142 6.053 -13.816 594 HE21 GLN 75 HE21 GLN 75 4.062 4.415 -15.346 595 HE22 GLN 75 HE22 GLN 75 3.261 4.508 -16.839 596 H PHE 76 HN PHE 76 5.079 7.865 -11.298 597 HA PHE 76 HA PHE 76 5.412 10.638 -12.407 598 HB2 PHE 76 HB2 PHE 76 6.300 9.516 -9.737 599 HB3 PHE 76 HB1 PHE 76 6.884 11.046 -10.396 600 HD1 PHE 76 HD1 PHE 76 5.043 12.734 -11.197 601 HD2 PHE 76 HD2 PHE 76 4.320 9.502 -8.461 602 HE1 PHE 76 HE1 PHE 76 2.999 13.879 -10.383 603 HE2 PHE 76 HE2 PHE 76 2.278 10.649 -7.647 604 HZ PHE 76 HZ PHE 76 1.617 12.837 -8.608 605 H ASN 77 HN ASN 77 7.209 10.928 -13.614 606 HA ASN 77 HA ASN 77 9.149 10.401 -14.806 607 HB2 ASN 77 HB2 ASN 77 9.793 9.162 -12.117 608 HB3 ASN 77 HB1 ASN 77 10.958 9.290 -13.432 609 HD21 ASN 77 HD21 ASN 77 9.179 11.957 -13.971 610 HD22 ASN 77 HD22 ASN 77 9.985 13.080 -12.986 611 H GLY 78 HN GLY 78 6.856 8.554 -14.967 612 HA2 GLY 78 HA2 GLY 78 6.497 6.582 -16.210 613 HA3 GLY 78 HA1 GLY 78 8.244 6.397 -16.336 614 H TYR 79 HN TYR 79 7.417 6.843 -13.112 615 HA TYR 79 HA TYR 79 7.459 3.878 -12.623 616 HB2 TYR 79 HB2 TYR 79 8.556 6.186 -10.997 617 HB3 TYR 79 HB1 TYR 79 8.447 4.531 -10.393 618 HD1 TYR 79 HD1 TYR 79 9.620 2.679 -11.657 619 HD2 TYR 79 HD2 TYR 79 10.309 6.839 -12.477 620 HE1 TYR 79 HE1 TYR 79 11.720 2.096 -12.838 621 HE2 TYR 79 HE2 TYR 79 12.412 6.256 -13.657 622 HH TYR 79 HH TYR 79 13.611 4.554 -14.544 623 H LEU 80 HN LEU 80 5.799 3.024 -11.484 624 HA LEU 80 HA LEU 80 3.504 4.687 -10.838 625 HB2 LEU 80 HB2 LEU 80 4.031 1.768 -10.241 626 HB3 LEU 80 HB1 LEU 80 2.463 2.571 -10.162 627 HG LEU 80 HG LEU 80 4.173 2.335 -12.657 628 HD11 LEU 80 HD11 LEU 80 2.231 0.830 -13.364 629 HD12 LEU 80 HD12 LEU 80 1.762 0.805 -11.664 630 HD13 LEU 80 HD13 LEU 80 3.329 0.162 -12.157 631 HD21 LEU 80 HD21 LEU 80 1.536 3.659 -12.029 632 HD22 LEU 80 HD22 LEU 80 1.812 3.001 -13.643 633 HD23 LEU 80 HD23 LEU 80 2.875 4.253 -13.011 634 H SER 81 HN SER 81 2.682 5.157 -8.780 635 HA SER 81 HA SER 81 4.115 4.230 -6.380 636 HB2 SER 81 HB2 SER 81 5.492 6.144 -7.033 637 HB3 SER 81 HB1 SER 81 4.060 7.157 -7.179 638 HG SER 81 HG SER 81 4.622 7.572 -5.161 639 H LEU 82 HN LEU 82 2.898 4.710 -4.439 640 HA LEU 82 HA LEU 82 0.018 5.310 -5.006 641 HB2 LEU 82 HB2 LEU 82 1.290 4.002 -2.584 642 HB3 LEU 82 HB1 LEU 82 -0.437 4.138 -2.912 643 HG LEU 82 HG LEU 82 1.565 2.655 -4.643 644 HD11 LEU 82 HD11 LEU 82 0.323 0.641 -3.839 645 HD12 LEU 82 HD12 LEU 82 -0.562 1.674 -2.718 646 HD13 LEU 82 HD13 LEU 82 1.182 1.480 -2.549 647 HD21 LEU 82 HD21 LEU 82 -0.124 3.299 -6.134 648 HD22 LEU 82 HD22 LEU 82 -1.381 3.257 -4.898 649 HD23 LEU 82 HD23 LEU 82 -0.742 1.753 -5.562 650 H SER 83 HN SER 83 -0.837 7.158 -4.255 651 HA SER 83 HA SER 83 0.808 8.857 -2.422 652 HB2 SER 83 HB2 SER 83 0.337 10.039 -4.423 653 HB3 SER 83 HB1 SER 83 -1.324 9.457 -4.475 654 HG SER 83 HG SER 83 -1.054 10.653 -2.170 655 H VAL 84 HN VAL 84 0.084 9.170 -0.378 656 HA VAL 84 HA VAL 84 -2.664 8.219 0.323 657 HB VAL 84 HB VAL 84 -0.450 8.973 2.239 658 HG11 VAL 84 HG11 VAL 84 -2.863 7.159 2.418 659 HG12 VAL 84 HG12 VAL 84 -2.674 8.724 3.207 660 HG13 VAL 84 HG13 VAL 84 -1.663 7.361 3.692 661 HG21 VAL 84 HG21 VAL 84 0.531 7.315 0.796 662 HG22 VAL 84 HG22 VAL 84 -0.949 6.358 0.799 663 HG23 VAL 84 HG23 VAL 84 0.027 6.478 2.263 664 H GLY 85 HN GLY 85 -3.973 9.987 -0.116 665 HA2 GLY 85 HA2 GLY 85 -3.148 12.675 0.862 666 HA3 GLY 85 HA1 GLY 85 -4.496 12.341 -0.225 667 H ASP 86 HN ASP 86 -5.517 13.846 1.446 668 HA ASP 86 HA ASP 86 -6.096 12.871 4.095 669 HB2 ASP 86 HB2 ASP 86 -7.424 14.950 2.335 670 HB3 ASP 86 HB1 ASP 86 -7.919 14.633 3.999 671 H SER 87 HN SER 87 -7.338 12.103 0.982 672 HA SER 87 HA SER 87 -9.958 11.197 1.942 673 HB2 SER 87 HB2 SER 87 -8.519 10.839 -0.701 674 HB3 SER 87 HB1 SER 87 -10.165 10.294 -0.387 675 HG SER 87 HG SER 87 -9.484 12.625 -1.227 676 H SER 88 HN SER 88 -6.817 9.956 2.030 677 HA SER 88 HA SER 88 -7.617 7.130 1.749 678 HB2 SER 88 HB2 SER 88 -5.444 7.670 0.886 679 HB3 SER 88 HB1 SER 88 -4.990 8.488 2.378 680 HG SER 88 HG SER 88 -4.447 6.625 3.165 681 H ARG 89 HN ARG 89 -6.963 5.595 3.536 682 HA ARG 89 HA ARG 89 -7.384 6.831 6.256 683 HB2 ARG 89 HB2 ARG 89 -9.411 5.609 5.445 684 HB3 ARG 89 HB1 ARG 89 -8.433 4.150 5.298 685 HG2 ARG 89 HG2 ARG 89 -7.924 4.215 7.694 686 HG3 ARG 89 HG1 ARG 89 -8.839 5.714 7.863 687 HD2 ARG 89 HD2 ARG 89 -10.257 3.870 8.561 688 HD3 ARG 89 HD1 ARG 89 -10.869 4.496 7.029 689 HE ARG 89 HE ARG 89 -9.022 2.365 6.514 690 HH11 ARG 89 HH21 ARG 89 -12.166 3.072 7.747 691 HH12 ARG 89 HH22 ARG 89 -12.826 1.528 7.320 692 HH21 ARG 89 HH11 ARG 89 -9.868 0.341 5.954 693 HH22 ARG 89 HH12 ARG 89 -11.526 -0.016 6.306 694 H ILE 90 HN ILE 90 -5.901 6.229 7.757 695 HA ILE 90 HA ILE 90 -4.015 3.982 7.078 696 HB ILE 90 HB ILE 90 -3.479 6.534 8.631 697 HG12 ILE 90 HG12 ILE 90 -2.392 5.582 5.969 698 HG13 ILE 90 HG11 ILE 90 -3.685 6.761 6.137 699 HG21 ILE 90 HG21 ILE 90 -2.173 4.725 9.563 700 HG22 ILE 90 HG22 ILE 90 -1.100 5.678 8.541 701 HG23 ILE 90 HG23 ILE 90 -1.741 4.144 7.956 702 HD11 ILE 90 HD11 ILE 90 -0.780 7.026 6.875 703 HD12 ILE 90 HD12 ILE 90 -1.989 8.038 7.662 704 HD13 ILE 90 HD13 ILE 90 -1.780 8.113 5.914 705 H GLU 91 HN GLU 91 -4.008 2.346 8.535 706 HA GLU 91 HA GLU 91 -5.019 2.908 11.315 707 HB2 GLU 91 HB2 GLU 91 -5.654 0.605 9.470 708 HB3 GLU 91 HB1 GLU 91 -5.877 0.490 11.214 709 HG2 GLU 91 HG2 GLU 91 -7.094 2.683 9.511 710 HG3 GLU 91 HG1 GLU 91 -7.947 1.203 9.950 711 H SER 92 HN SER 92 -3.698 2.242 12.900 712 HA SER 92 HA SER 92 -1.063 1.280 12.313 713 HB2 SER 92 HB2 SER 92 -1.394 2.576 14.301 714 HB3 SER 92 HB1 SER 92 -2.650 1.484 14.879 715 HG SER 92 HG SER 92 -0.156 1.359 15.477 716 H VAL 93 HN VAL 93 -0.289 -0.770 12.167 717 HA VAL 93 HA VAL 93 -2.175 -3.038 12.704 718 HB VAL 93 HB VAL 93 0.241 -2.786 10.891 719 HG11 VAL 93 HG11 VAL 93 -1.399 -5.191 11.710 720 HG12 VAL 93 HG12 VAL 93 0.355 -5.007 11.747 721 HG13 VAL 93 HG13 VAL 93 -0.484 -5.153 10.203 722 HG21 VAL 93 HG21 VAL 93 -2.618 -3.506 10.213 723 HG22 VAL 93 HG22 VAL 93 -1.334 -3.013 9.108 724 HG23 VAL 93 HG23 VAL 93 -2.042 -1.840 10.218 725 H ASN 94 HN ASN 94 1.304 -2.186 12.911 726 HA ASN 94 HA ASN 94 1.443 -3.752 15.472 727 HB2 ASN 94 HB2 ASN 94 2.397 -4.938 13.331 728 HB3 ASN 94 HB1 ASN 94 3.727 -3.793 13.493 729 HD21 ASN 94 HD21 ASN 94 4.247 -6.540 13.833 730 HD22 ASN 94 HD22 ASN 94 4.586 -6.853 15.466 731 H VAL 95 HN VAL 95 3.431 -1.654 13.353 732 HA VAL 95 HA VAL 95 4.850 0.118 13.891 733 HB VAL 95 HB VAL 95 3.048 0.755 16.224 734 HG11 VAL 95 HG11 VAL 95 3.391 3.050 15.368 735 HG12 VAL 95 HG12 VAL 95 4.332 2.406 14.022 736 HG13 VAL 95 HG13 VAL 95 4.934 2.252 15.674 737 HG21 VAL 95 HG21 VAL 95 2.353 0.887 13.279 738 HG22 VAL 95 HG22 VAL 95 1.509 1.825 14.511 739 HG23 VAL 95 HG23 VAL 95 1.462 0.064 14.556 740 H ASN 96 HN ASN 96 5.302 -2.490 15.170 741 HA ASN 96 HA ASN 96 6.691 -3.437 16.785 742 HB2 ASN 96 HB2 ASN 96 7.688 -0.579 16.902 743 HB3 ASN 96 HB1 ASN 96 8.459 -1.926 17.733 744 HD21 ASN 96 HD21 ASN 96 9.775 -0.433 15.627 745 HD22 ASN 96 HD22 ASN 96 10.011 -1.487 14.318 746 H ILE 97 HN ILE 97 6.220 -4.095 18.781 747 HA ILE 97 HA ILE 97 4.726 -2.247 20.606 748 HB ILE 97 HB ILE 97 4.809 -5.226 21.038 749 HG12 ILE 97 HG12 ILE 97 3.169 -3.820 18.906 750 HG13 ILE 97 HG11 ILE 97 4.375 -5.080 18.647 751 HG21 ILE 97 HG21 ILE 97 2.500 -3.280 21.233 752 HG22 ILE 97 HG22 ILE 97 3.642 -3.532 22.553 753 HG23 ILE 97 HG23 ILE 97 2.646 -4.871 21.981 754 HD11 ILE 97 HD11 ILE 97 1.711 -5.361 20.059 755 HD12 ILE 97 HD12 ILE 97 2.967 -6.598 20.100 756 HD13 ILE 97 HD13 ILE 97 2.223 -6.147 18.567 757 HA PRO 98 HA PRO 98 8.188 -4.136 23.252 758 HB2 PRO 98 HB2 PRO 98 10.178 -5.593 22.127 759 HB3 PRO 98 HB1 PRO 98 8.603 -6.306 22.528 760 HG2 PRO 98 HG2 PRO 98 9.713 -5.557 19.884 761 HG3 PRO 98 HG1 PRO 98 8.542 -6.819 20.301 762 HD2 PRO 98 HD2 PRO 98 7.965 -4.226 19.244 763 HD3 PRO 98 HD1 PRO 98 6.785 -5.421 19.826 764 H LEU 99 HN LEU 99 8.611 -2.377 20.452 765 HA LEU 99 HA LEU 99 10.031 -0.648 19.804 766 HB2 LEU 99 HB2 LEU 99 10.383 -0.684 22.800 767 HB3 LEU 99 HB1 LEU 99 11.303 0.440 21.802 768 HG LEU 99 HG LEU 99 9.204 1.308 20.838 769 HD11 LEU 99 HD11 LEU 99 7.727 -0.547 20.916 770 HD12 LEU 99 HD12 LEU 99 7.063 0.596 22.082 771 HD13 LEU 99 HD13 LEU 99 7.994 -0.793 22.642 772 HD21 LEU 99 HD21 LEU 99 8.262 2.258 23.029 773 HD22 LEU 99 HD22 LEU 99 9.982 2.520 22.741 774 HD23 LEU 99 HD23 LEU 99 9.456 1.256 23.853 775 H GLU 100 HN GLU 100 12.022 -0.529 18.882 776 HA GLU 100 HA GLU 100 13.759 -2.825 19.045 777 HB2 GLU 100 HB2 GLU 100 15.165 -1.596 17.446 778 HB3 GLU 100 HB1 GLU 100 13.466 -1.518 16.976 779 HG2 GLU 100 HG2 GLU 100 13.296 0.708 18.087 780 HG3 GLU 100 HG1 GLU 100 15.025 0.638 18.433 781 H HIS 101 HN HIS 101 16.279 -2.229 19.159 782 HA HIS 101 HA HIS 101 16.799 -1.613 21.919 783 HB2 HIS 101 HB2 HIS 101 19.132 -1.943 21.359 784 HB3 HIS 101 HB1 HIS 101 18.183 -3.141 20.481 785 HD1 HIS 101 HD1 HIS 101 19.746 0.290 19.897 786 HD2 HIS 101 HD2 HIS 101 18.578 -3.081 17.739 787 HE1 HIS 101 HE1 HIS 101 20.528 0.656 17.515 788 H HIS 102 HN HIS 102 17.592 0.250 22.864 789 HA HIS 102 HA HIS 102 17.140 2.750 21.442 790 HB2 HIS 102 HB2 HIS 102 18.205 2.112 24.201 791 HB3 HIS 102 HB1 HIS 102 17.955 3.756 23.614 792 HD1 HIS 102 HD1 HIS 102 16.094 0.664 24.657 793 HD2 HIS 102 HD2 HIS 102 15.226 4.528 23.357 794 HE1 HIS 102 HE1 HIS 102 13.618 1.015 25.056 795 H HIS 103 HN HIS 103 18.665 4.200 20.687 796 HA HIS 103 HA HIS 103 21.339 3.157 20.141 797 HB2 HIS 103 HB2 HIS 103 21.654 5.275 18.923 798 HB3 HIS 103 HB1 HIS 103 20.113 4.538 18.486 799 HD1 HIS 103 HD1 HIS 103 21.495 7.232 20.790 800 HD2 HIS 103 HD2 HIS 103 17.896 6.135 18.996 801 HE1 HIS 103 HE1 HIS 103 19.857 9.104 21.269 802 H HIS 104 HN HIS 104 19.875 4.976 22.637 803 HA HIS 104 HA HIS 104 20.730 6.087 24.509 804 HB2 HIS 104 HB2 HIS 104 21.831 3.913 24.850 805 HB3 HIS 104 HB1 HIS 104 23.176 4.426 23.833 806 HD1 HIS 104 HD1 HIS 104 21.420 5.482 27.044 807 HD2 HIS 104 HD2 HIS 104 25.144 5.820 25.201 808 HE1 HIS 104 HE1 HIS 104 22.957 6.582 28.730 809 H HIS 105 HN HIS 105 22.280 7.751 25.209 810 HA HIS 105 HA HIS 105 24.096 8.851 23.160 811 HB2 HIS 105 HB2 HIS 105 23.009 11.101 23.273 812 HB3 HIS 105 HB1 HIS 105 21.988 9.880 22.514 813 HD1 HIS 105 HD1 HIS 105 21.893 12.416 25.067 814 HD2 HIS 105 HD2 HIS 105 20.103 8.682 24.581 815 HE1 HIS 105 HE1 HIS 105 19.904 12.366 26.635 816 H HIS 106 HN HIS 106 25.383 10.675 24.072 817 HA HIS 106 HA HIS 106 25.243 11.236 26.922 818 HB2 HIS 106 HB2 HIS 106 27.565 10.273 27.358 819 HB3 HIS 106 HB1 HIS 106 26.263 9.093 27.206 820 HD1 HIS 106 HD1 HIS 106 27.620 10.774 24.147 821 HD2 HIS 106 HD2 HIS 106 28.046 7.129 26.126 822 HE1 HIS 106 HE1 HIS 106 28.854 9.236 22.558
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