NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
593163 | 2mnj | 19688 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 10.497 25.358 -2.304 2 H2 GLY 1 HT2 GLY 1 9.757 24.388 -3.471 3 H3 GLY 1 HT3 GLY 1 11.370 24.852 -3.661 4 HA2 GLY 1 HA1 GLY 1 11.981 23.582 -1.687 5 HA3 GLY 1 HA2 GLY 1 10.305 23.073 -1.541 6 HA PRO 2 HA PRO 2 12.632 20.064 -4.259 7 HB2 PRO 2 HB2 PRO 2 12.141 17.992 -2.316 8 HB3 PRO 2 HB1 PRO 2 13.689 18.652 -2.845 9 HG2 PRO 2 HG2 PRO 2 12.650 18.993 -0.328 10 HG3 PRO 2 HG1 PRO 2 13.815 20.093 -1.082 11 HD2 PRO 2 HD2 PRO 2 10.849 20.367 -0.809 12 HD3 PRO 2 HD1 PRO 2 12.116 21.604 -0.657 13 H HIS 3 HN HIS 3 10.431 20.657 -5.239 14 HA HIS 3 HA HIS 3 8.247 18.887 -4.621 15 HB2 HIS 3 HB2 HIS 3 7.917 21.262 -5.333 16 HB3 HIS 3 HB1 HIS 3 8.499 20.820 -6.934 17 HD1 HIS 3 HD1 HIS 3 5.665 19.972 -4.555 18 HD2 HIS 3 HD2 HIS 3 6.565 19.863 -8.613 19 HE1 HIS 3 HE1 HIS 3 3.534 19.293 -5.704 20 HE2 HIS 3 HE2 HIS 3 4.078 19.307 -8.162 21 H MET 4 HN MET 4 9.658 16.988 -5.027 22 HA MET 4 HA MET 4 9.359 16.167 -7.839 23 HB2 MET 4 HB2 MET 4 11.722 16.296 -7.299 24 HB3 MET 4 HB1 MET 4 11.478 15.316 -5.860 25 HG2 MET 4 HG2 MET 4 10.763 13.443 -7.317 26 HG3 MET 4 HG1 MET 4 11.162 14.432 -8.719 27 HE1 MET 4 HE1 MET 4 13.803 15.934 -7.839 28 HE2 MET 4 HE2 MET 4 13.573 15.146 -9.399 29 HE3 MET 4 HE3 MET 4 15.018 14.810 -8.447 30 H SER 5 HN SER 5 8.032 14.541 -8.151 31 HA SER 5 HA SER 5 7.611 12.579 -6.034 32 HB2 SER 5 HB2 SER 5 5.221 13.685 -7.499 33 HB3 SER 5 HB1 SER 5 5.271 12.793 -5.976 34 HG SER 5 HG SER 5 6.063 15.475 -6.451 35 H VAL 6 HN VAL 6 7.440 10.541 -6.803 36 HA VAL 6 HA VAL 6 7.306 10.237 -9.735 37 HB VAL 6 HB VAL 6 8.754 8.216 -9.446 38 HG11 VAL 6 HG11 VAL 6 10.850 9.478 -9.168 39 HG12 VAL 6 HG12 VAL 6 9.919 10.859 -8.585 40 HG13 VAL 6 HG13 VAL 6 9.707 10.287 -10.239 41 HG21 VAL 6 HG21 VAL 6 10.119 8.115 -7.357 42 HG22 VAL 6 HG22 VAL 6 8.417 7.713 -7.131 43 HG23 VAL 6 HG23 VAL 6 9.021 9.297 -6.645 44 H GLN 7 HN GLN 7 6.124 8.537 -10.546 45 HA GLN 7 HA GLN 7 4.122 7.485 -8.734 46 HB2 GLN 7 HB2 GLN 7 2.911 6.780 -10.654 47 HB3 GLN 7 HB1 GLN 7 3.554 8.368 -11.033 48 HG2 GLN 7 HG2 GLN 7 4.785 5.774 -11.937 49 HG3 GLN 7 HG1 GLN 7 3.674 6.741 -12.900 50 HE21 GLN 7 HE21 GLN 7 6.877 6.477 -11.612 51 HE22 GLN 7 HE22 GLN 7 7.582 7.754 -12.549 52 H ILE 8 HN ILE 8 3.936 5.374 -8.097 53 HA ILE 8 HA ILE 8 6.219 3.670 -8.826 54 HB ILE 8 HB ILE 8 4.372 3.161 -6.509 55 HG12 ILE 8 HG12 ILE 8 5.256 5.391 -6.137 56 HG13 ILE 8 HG11 ILE 8 6.069 4.263 -5.062 57 HG21 ILE 8 HG21 ILE 8 7.220 2.345 -7.081 58 HG22 ILE 8 HG22 ILE 8 5.794 1.322 -7.255 59 HG23 ILE 8 HG23 ILE 8 6.280 1.892 -5.660 60 HD11 ILE 8 HD11 ILE 8 7.985 4.226 -6.596 61 HD12 ILE 8 HD12 ILE 8 7.644 5.836 -5.965 62 HD13 ILE 8 HD13 ILE 8 7.170 5.416 -7.612 63 HA PRO 9 HA PRO 9 3.208 1.281 -11.102 64 HB2 PRO 9 HB2 PRO 9 4.920 -0.682 -11.877 65 HB3 PRO 9 HB1 PRO 9 4.812 0.888 -12.680 66 HG2 PRO 9 HG2 PRO 9 6.803 -0.082 -10.672 67 HG3 PRO 9 HG1 PRO 9 7.060 0.912 -12.118 68 HD2 PRO 9 HD2 PRO 9 6.952 1.951 -9.610 69 HD3 PRO 9 HD1 PRO 9 6.435 2.851 -11.049 70 H VAL 10 HN VAL 10 1.820 -0.062 -10.218 71 HA VAL 10 HA VAL 10 2.746 -1.864 -8.097 72 HB VAL 10 HB VAL 10 1.048 -0.475 -7.223 73 HG11 VAL 10 HG11 VAL 10 0.155 0.424 -9.282 74 HG12 VAL 10 HG12 VAL 10 -1.153 -0.183 -8.267 75 HG13 VAL 10 HG13 VAL 10 -0.606 -1.123 -9.657 76 HG21 VAL 10 HG21 VAL 10 0.804 -2.874 -6.681 77 HG22 VAL 10 HG22 VAL 10 -0.337 -3.035 -8.015 78 HG23 VAL 10 HG23 VAL 10 -0.729 -2.004 -6.639 79 H VAL 11 HN VAL 11 2.768 -3.963 -8.395 80 HA VAL 11 HA VAL 11 1.641 -5.047 -10.866 81 HB VAL 11 HB VAL 11 3.419 -6.410 -8.834 82 HG11 VAL 11 HG11 VAL 11 2.051 -7.912 -10.239 83 HG12 VAL 11 HG12 VAL 11 3.781 -8.081 -10.535 84 HG13 VAL 11 HG13 VAL 11 2.774 -7.188 -11.675 85 HG21 VAL 11 HG21 VAL 11 4.577 -4.518 -9.826 86 HG22 VAL 11 HG22 VAL 11 4.148 -5.079 -11.441 87 HG23 VAL 11 HG23 VAL 11 5.240 -6.034 -10.439 88 H GLU 12 HN GLU 12 -0.229 -6.136 -10.851 89 HA GLU 12 HA GLU 12 -1.379 -6.844 -8.269 90 HB2 GLU 12 HB2 GLU 12 -2.601 -6.740 -11.024 91 HB3 GLU 12 HB1 GLU 12 -3.458 -7.292 -9.589 92 HG2 GLU 12 HG2 GLU 12 -2.887 -5.061 -8.560 93 HG3 GLU 12 HG1 GLU 12 -2.390 -4.558 -10.168 94 H VAL 13 HN VAL 13 -0.470 -8.620 -7.615 95 HA VAL 13 HA VAL 13 -0.379 -10.955 -9.401 96 HB VAL 13 HB VAL 13 1.208 -11.875 -7.620 97 HG11 VAL 13 HG11 VAL 13 1.964 -11.039 -9.805 98 HG12 VAL 13 HG12 VAL 13 3.136 -10.720 -8.527 99 HG13 VAL 13 HG13 VAL 13 2.103 -9.422 -9.118 100 HG21 VAL 13 HG21 VAL 13 2.344 -10.233 -6.214 101 HG22 VAL 13 HG22 VAL 13 0.620 -10.298 -5.843 102 HG23 VAL 13 HG23 VAL 13 1.267 -8.971 -6.810 103 H ASP 14 HN ASP 14 -0.482 -13.065 -7.982 104 HA ASP 14 HA ASP 14 -2.936 -12.873 -6.411 105 HB2 ASP 14 HB2 ASP 14 -2.561 -14.593 -8.301 106 HB3 ASP 14 HB1 ASP 14 -1.517 -15.426 -7.153 107 H GLU 15 HN GLU 15 0.398 -13.093 -6.134 108 HA GLU 15 HA GLU 15 0.407 -12.641 -3.388 109 HB2 GLU 15 HB2 GLU 15 1.359 -14.670 -2.511 110 HB3 GLU 15 HB1 GLU 15 -0.192 -15.029 -3.254 111 HG2 GLU 15 HG2 GLU 15 0.988 -15.831 -5.264 112 HG3 GLU 15 HG1 GLU 15 2.520 -15.566 -4.433 113 H LEU 16 HN LEU 16 2.709 -12.705 -2.522 114 HA LEU 16 HA LEU 16 4.404 -11.452 -4.443 115 HB2 LEU 16 HB2 LEU 16 5.024 -12.328 -1.620 116 HB3 LEU 16 HB1 LEU 16 6.018 -11.272 -2.600 117 HG LEU 16 HG LEU 16 4.970 -9.731 -1.294 118 HD11 LEU 16 HD11 LEU 16 3.174 -8.652 -2.507 119 HD12 LEU 16 HD12 LEU 16 2.939 -10.110 -3.470 120 HD13 LEU 16 HD13 LEU 16 4.442 -9.195 -3.608 121 HD21 LEU 16 HD21 LEU 16 3.656 -11.257 0.000 122 HD22 LEU 16 HD22 LEU 16 2.513 -11.450 -1.326 123 HD23 LEU 16 HD23 LEU 16 2.654 -9.898 -0.502 124 HA PRO 17 HA PRO 17 6.798 -14.971 -5.730 125 HB2 PRO 17 HB2 PRO 17 9.161 -13.731 -6.271 126 HB3 PRO 17 HB1 PRO 17 7.756 -13.640 -7.334 127 HG2 PRO 17 HG2 PRO 17 8.746 -11.658 -5.337 128 HG3 PRO 17 HG1 PRO 17 8.104 -11.382 -6.966 129 HD2 PRO 17 HD2 PRO 17 6.629 -11.005 -4.723 130 HD3 PRO 17 HD1 PRO 17 5.919 -11.525 -6.262 131 H GLU 18 HN GLU 18 8.863 -16.082 -5.187 132 HA GLU 18 HA GLU 18 9.112 -16.403 -2.419 133 HB2 GLU 18 HB2 GLU 18 10.980 -17.244 -4.637 134 HB3 GLU 18 HB1 GLU 18 11.091 -17.802 -2.972 135 HG2 GLU 18 HG2 GLU 18 8.831 -18.755 -3.168 136 HG3 GLU 18 HG1 GLU 18 8.791 -18.256 -4.858 137 H GLY 19 HN GLY 19 10.591 -15.728 -0.937 138 HA2 GLY 19 HA2 GLY 19 12.670 -14.611 -0.370 139 HA3 GLY 19 HA1 GLY 19 12.470 -13.630 -1.817 140 H TYR 20 HN TYR 20 9.539 -13.399 -1.202 141 HA TYR 20 HA TYR 20 9.761 -11.079 0.523 142 HB2 TYR 20 HB2 TYR 20 7.595 -12.201 -1.224 143 HB3 TYR 20 HB1 TYR 20 7.222 -10.968 -0.025 144 HD1 TYR 20 HD1 TYR 20 8.044 -8.705 -0.273 145 HD2 TYR 20 HD2 TYR 20 8.907 -11.667 -3.200 146 HE1 TYR 20 HE1 TYR 20 8.716 -6.940 -1.844 147 HE2 TYR 20 HE2 TYR 20 9.586 -9.910 -4.779 148 HH TYR 20 HH TYR 20 9.296 -7.575 -5.177 149 H ASP 21 HN ASP 21 8.089 -10.710 2.198 150 HA ASP 21 HA ASP 21 7.571 -13.192 3.685 151 HB2 ASP 21 HB2 ASP 21 9.137 -11.808 4.895 152 HB3 ASP 21 HB1 ASP 21 8.093 -10.399 4.721 153 H ARG 22 HN ARG 22 5.568 -13.660 2.970 154 HA ARG 22 HA ARG 22 3.479 -11.630 3.275 155 HB2 ARG 22 HB2 ARG 22 3.546 -12.736 1.107 156 HB3 ARG 22 HB1 ARG 22 3.463 -14.310 1.876 157 HG2 ARG 22 HG2 ARG 22 1.231 -14.095 2.389 158 HG3 ARG 22 HG1 ARG 22 1.280 -12.333 2.335 159 HD2 ARG 22 HD2 ARG 22 1.394 -12.324 -0.023 160 HD3 ARG 22 HD1 ARG 22 1.669 -14.058 -0.099 161 HE ARG 22 HE ARG 22 -0.871 -12.722 0.555 162 HH11 ARG 22 HH11 ARG 22 0.901 -15.631 -0.298 163 HH12 ARG 22 HH12 ARG 22 -0.535 -16.539 -0.661 164 HH21 ARG 22 HH21 ARG 22 -2.734 -13.891 0.080 165 HH22 ARG 22 HH22 ARG 22 -2.612 -15.546 -0.450 166 H SER 23 HN SER 23 1.647 -12.036 4.516 167 HA SER 23 HA SER 23 1.906 -14.262 6.418 168 HB2 SER 23 HB2 SER 23 0.771 -11.506 6.975 169 HB3 SER 23 HB1 SER 23 0.945 -12.818 8.141 170 HG SER 23 HG SER 23 3.288 -12.686 7.478 171 H2 PRO 24 HT1 PRO 24 -32.869 5.340 5.562 172 H3 PRO 24 HT2 PRO 24 -31.749 4.798 6.615 173 HA PRO 24 HA PRO 24 -30.165 4.854 5.215 174 HB2 PRO 24 HB2 PRO 24 -31.149 4.174 2.667 175 HB3 PRO 24 HB1 PRO 24 -30.233 3.132 3.765 176 HG2 PRO 24 HG2 PRO 24 -33.167 3.330 3.350 177 HG3 PRO 24 HG1 PRO 24 -32.182 1.919 3.776 178 HD2 PRO 24 HD2 PRO 24 -33.712 3.122 5.606 179 HD3 PRO 24 HD1 PRO 24 -32.110 2.495 6.032 180 H HIS 25 HN HIS 25 -29.799 6.990 5.046 181 HA HIS 25 HA HIS 25 -31.282 8.438 2.952 182 HB2 HIS 25 HB2 HIS 25 -30.473 9.485 5.666 183 HB3 HIS 25 HB1 HIS 25 -30.983 10.521 4.343 184 HD1 HIS 25 HD1 HIS 25 -32.296 9.033 7.270 185 HD2 HIS 25 HD2 HIS 25 -33.732 9.576 3.405 186 HE1 HIS 25 HE1 HIS 25 -34.798 8.868 7.447 187 HE2 HIS 25 HE2 HIS 25 -35.649 9.315 5.120 188 H GLU 26 HN GLU 26 -28.313 8.246 4.871 189 HA GLU 26 HA GLU 26 -26.800 9.167 2.554 190 HB2 GLU 26 HB2 GLU 26 -25.505 10.752 3.977 191 HB3 GLU 26 HB1 GLU 26 -27.179 11.225 3.731 192 HG2 GLU 26 HG2 GLU 26 -27.734 10.299 5.945 193 HG3 GLU 26 HG1 GLU 26 -26.027 9.928 6.188 194 H GLN 27 HN GLN 27 -27.110 6.626 3.854 195 HA GLN 27 HA GLN 27 -24.490 6.208 5.079 196 HB2 GLN 27 HB2 GLN 27 -26.910 4.419 4.810 197 HB3 GLN 27 HB1 GLN 27 -25.362 3.851 5.416 198 HG2 GLN 27 HG2 GLN 27 -26.419 4.297 7.376 199 HG3 GLN 27 HG1 GLN 27 -25.639 5.848 7.092 200 HE21 GLN 27 HE21 GLN 27 -27.988 5.172 8.662 201 HE22 GLN 27 HE22 GLN 27 -29.280 6.137 8.039 202 H GLN 28 HN GLN 28 -22.968 4.790 4.178 203 HA GLN 28 HA GLN 28 -23.553 3.874 1.452 204 HB2 GLN 28 HB2 GLN 28 -21.176 5.473 2.344 205 HB3 GLN 28 HB1 GLN 28 -21.132 4.450 0.914 206 HG2 GLN 28 HG2 GLN 28 -23.011 5.710 -0.026 207 HG3 GLN 28 HG1 GLN 28 -22.990 6.764 1.388 208 HE21 GLN 28 HE21 GLN 28 -21.225 5.726 -1.433 209 HE22 GLN 28 HE22 GLN 28 -20.198 7.118 -1.539 210 H GLU 29 HN GLU 29 -22.358 2.154 0.718 211 HA GLU 29 HA GLU 29 -20.814 0.646 2.715 212 HB2 GLU 29 HB2 GLU 29 -21.835 -1.419 1.674 213 HB3 GLU 29 HB1 GLU 29 -22.941 -0.417 2.604 214 HG2 GLU 29 HG2 GLU 29 -23.792 0.576 0.558 215 HG3 GLU 29 HG1 GLU 29 -22.676 -0.405 -0.386 216 H ASP 30 HN ASP 30 -21.060 2.014 -0.327 217 HA ASP 30 HA ASP 30 -19.228 0.280 -1.719 218 HB2 ASP 30 HB2 ASP 30 -19.427 1.832 -3.560 219 HB3 ASP 30 HB1 ASP 30 -21.028 1.563 -2.886 220 H VAL 31 HN VAL 31 -18.941 2.725 0.543 221 HA VAL 31 HA VAL 31 -16.502 3.916 -0.225 222 HB VAL 31 HB VAL 31 -17.682 3.594 2.545 223 HG11 VAL 31 HG11 VAL 31 -16.231 5.460 3.182 224 HG12 VAL 31 HG12 VAL 31 -15.511 5.451 1.572 225 HG13 VAL 31 HG13 VAL 31 -15.292 4.067 2.644 226 HG21 VAL 31 HG21 VAL 31 -17.824 5.908 0.617 227 HG22 VAL 31 HG22 VAL 31 -18.486 5.877 2.252 228 HG23 VAL 31 HG23 VAL 31 -19.145 4.810 1.013 229 HA PRO 32 HA PRO 32 -13.937 0.370 0.624 230 HB2 PRO 32 HB2 PRO 32 -11.574 1.626 0.092 231 HB3 PRO 32 HB1 PRO 32 -12.638 0.974 -1.156 232 HG2 PRO 32 HG2 PRO 32 -12.290 3.783 -0.237 233 HG3 PRO 32 HG1 PRO 32 -12.576 3.160 -1.870 234 HD2 PRO 32 HD2 PRO 32 -14.523 4.294 -0.318 235 HD3 PRO 32 HD1 PRO 32 -14.853 3.086 -1.572 236 H GLU 33 HN GLU 33 -13.262 -0.293 2.523 237 HA GLU 33 HA GLU 33 -12.213 1.660 4.439 238 HB2 GLU 33 HB2 GLU 33 -14.340 0.589 5.116 239 HB3 GLU 33 HB1 GLU 33 -13.580 -0.991 4.969 240 HG2 GLU 33 HG2 GLU 33 -12.074 -0.480 6.765 241 HG3 GLU 33 HG1 GLU 33 -12.700 1.164 6.876 242 H TYR 34 HN TYR 34 -10.076 1.558 4.072 243 HA TYR 34 HA TYR 34 -8.759 -1.015 3.738 244 HB2 TYR 34 HB2 TYR 34 -7.713 1.814 3.658 245 HB3 TYR 34 HB1 TYR 34 -6.700 0.391 3.463 246 HD1 TYR 34 HD2 TYR 34 -7.278 -1.195 1.516 247 HD2 TYR 34 HD1 TYR 34 -8.739 2.789 1.810 248 HE1 TYR 34 HE2 TYR 34 -7.709 -1.180 -0.904 249 HE2 TYR 34 HE1 TYR 34 -9.168 2.818 -0.610 250 HH TYR 34 HH TYR 34 -9.151 0.019 -2.508 251 H GLU 35 HN GLU 35 -7.063 -1.727 5.073 252 HA GLU 35 HA GLU 35 -6.883 -0.414 7.691 253 HB2 GLU 35 HB2 GLU 35 -8.315 -2.523 7.675 254 HB3 GLU 35 HB1 GLU 35 -6.835 -3.408 7.337 255 HG2 GLU 35 HG2 GLU 35 -5.877 -2.744 9.416 256 HG3 GLU 35 HG1 GLU 35 -7.200 -1.622 9.726 257 H VAL 36 HN VAL 36 -4.910 0.166 8.095 258 HA VAL 36 HA VAL 36 -2.712 -0.902 6.496 259 HB VAL 36 HB VAL 36 -2.796 1.559 8.250 260 HG11 VAL 36 HG11 VAL 36 -0.748 2.203 7.069 261 HG12 VAL 36 HG12 VAL 36 -0.758 0.659 6.217 262 HG13 VAL 36 HG13 VAL 36 -0.540 0.699 7.966 263 HG21 VAL 36 HG21 VAL 36 -3.053 1.305 5.255 264 HG22 VAL 36 HG22 VAL 36 -2.950 2.818 6.155 265 HG23 VAL 36 HG23 VAL 36 -4.339 1.753 6.375 266 H LYS 37 HN LYS 37 -1.115 -2.081 7.323 267 HA LYS 37 HA LYS 37 -0.737 -2.133 10.250 268 HB2 LYS 37 HB2 LYS 37 -0.377 -4.483 8.369 269 HB3 LYS 37 HB1 LYS 37 -0.098 -4.497 10.100 270 HG2 LYS 37 HG2 LYS 37 -2.151 -5.547 9.868 271 HG3 LYS 37 HG1 LYS 37 -2.590 -3.893 10.300 272 HD2 LYS 37 HD2 LYS 37 -3.042 -3.371 7.980 273 HD3 LYS 37 HD1 LYS 37 -2.495 -4.970 7.482 274 HE2 LYS 37 HE2 LYS 37 -4.845 -4.428 9.288 275 HE3 LYS 37 HE1 LYS 37 -4.957 -4.760 7.562 276 HZ1 LYS 37 HZ1 LYS 37 -3.852 -6.918 8.026 277 HZ2 LYS 37 HZ2 LYS 37 -5.378 -6.762 8.732 278 HZ3 LYS 37 HZ3 LYS 37 -3.990 -6.595 9.681 279 H MET 38 HN MET 38 1.369 -1.842 10.899 280 HA MET 38 HA MET 38 3.338 -1.546 8.715 281 HB2 MET 38 HB2 MET 38 2.359 0.481 10.211 282 HB3 MET 38 HB1 MET 38 3.736 -0.002 11.195 283 HG2 MET 38 HG2 MET 38 5.260 0.524 9.568 284 HG3 MET 38 HG1 MET 38 4.081 0.421 8.271 285 HE1 MET 38 HE1 MET 38 5.739 2.712 7.735 286 HE2 MET 38 HE2 MET 38 4.588 4.046 7.619 287 HE3 MET 38 HE3 MET 38 4.159 2.448 6.995 288 H LYS 39 HN LYS 39 5.399 -2.376 9.041 289 HA LYS 39 HA LYS 39 5.971 -3.653 11.613 290 HB2 LYS 39 HB2 LYS 39 4.694 -5.180 9.875 291 HB3 LYS 39 HB1 LYS 39 6.284 -5.323 9.147 292 HG2 LYS 39 HG2 LYS 39 5.764 -5.943 12.041 293 HG3 LYS 39 HG1 LYS 39 5.607 -7.142 10.760 294 HD2 LYS 39 HD2 LYS 39 7.947 -6.816 10.157 295 HD3 LYS 39 HD1 LYS 39 8.105 -5.583 11.409 296 HE2 LYS 39 HE2 LYS 39 9.008 -7.706 12.175 297 HE3 LYS 39 HE1 LYS 39 7.588 -7.257 13.118 298 HZ1 LYS 39 HZ1 LYS 39 7.602 -9.196 10.866 299 HZ2 LYS 39 HZ2 LYS 39 6.268 -8.793 11.824 300 HZ3 LYS 39 HZ3 LYS 39 7.583 -9.602 12.507 301 H ARG 40 HN ARG 40 8.094 -3.631 12.095 302 HA ARG 40 HA ARG 40 9.855 -2.319 10.172 303 HB2 ARG 40 HB2 ARG 40 9.914 -2.681 13.150 304 HB3 ARG 40 HB1 ARG 40 11.374 -2.241 12.282 305 HG2 ARG 40 HG2 ARG 40 10.293 -0.279 13.202 306 HG3 ARG 40 HG1 ARG 40 10.281 -0.229 11.443 307 HD2 ARG 40 HD2 ARG 40 8.156 0.518 12.371 308 HD3 ARG 40 HD1 ARG 40 7.962 -0.951 11.418 309 HE ARG 40 HE ARG 40 8.290 -1.799 14.012 310 HH11 ARG 40 HH11 ARG 40 6.077 0.345 12.357 311 HH12 ARG 40 HH12 ARG 40 4.731 -0.045 13.382 312 HH21 ARG 40 HH21 ARG 40 6.519 -2.302 15.373 313 HH22 ARG 40 HH22 ARG 40 4.982 -1.544 15.093 314 H PHE 41 HN PHE 41 11.594 -3.240 9.278 315 HA PHE 41 HA PHE 41 12.342 -5.954 10.165 316 HB2 PHE 41 HB2 PHE 41 12.040 -4.829 7.395 317 HB3 PHE 41 HB1 PHE 41 13.110 -6.191 7.698 318 HD1 PHE 41 HD2 PHE 41 9.588 -5.072 8.080 319 HD2 PHE 41 HD1 PHE 41 12.282 -8.348 7.760 320 HE1 PHE 41 HE2 PHE 41 7.683 -6.615 7.895 321 HE2 PHE 41 HE1 PHE 41 10.380 -9.899 7.574 322 HZ PHE 41 HZ PHE 41 8.077 -9.032 7.642 323 H LYS 42 HN LYS 42 14.447 -6.324 10.546 324 HA LYS 42 HA LYS 42 16.354 -4.182 9.875 325 HB2 LYS 42 HB2 LYS 42 16.229 -6.021 12.262 326 HB3 LYS 42 HB1 LYS 42 17.684 -5.133 11.840 327 HG2 LYS 42 HG2 LYS 42 15.028 -3.832 12.395 328 HG3 LYS 42 HG1 LYS 42 16.284 -4.077 13.610 329 HD2 LYS 42 HD2 LYS 42 17.842 -2.771 12.171 330 HD3 LYS 42 HD1 LYS 42 16.493 -2.433 11.088 331 HE2 LYS 42 HE2 LYS 42 16.656 -1.664 14.001 332 HE3 LYS 42 HE1 LYS 42 16.908 -0.579 12.636 333 HZ1 LYS 42 HZ1 LYS 42 14.619 -0.987 11.953 334 HZ2 LYS 42 HZ2 LYS 42 14.684 -0.352 13.518 335 HZ3 LYS 42 HZ3 LYS 42 14.384 -1.998 13.287 336 H GLY 43 HN GLY 43 17.719 -4.752 8.320 337 HA2 GLY 43 HA2 GLY 43 19.496 -5.947 7.420 338 HA3 GLY 43 HA1 GLY 43 19.168 -7.243 8.556 339 H ALA 44 HN ALA 44 16.519 -6.102 6.680 340 HA ALA 44 HA ALA 44 16.677 -8.549 5.058 341 HB1 ALA 44 HB1 ALA 44 14.231 -6.936 5.774 342 HB2 ALA 44 HB2 ALA 44 14.742 -8.423 6.572 343 HB3 ALA 44 HB3 ALA 44 14.261 -8.454 4.876 344 H ALA 45 HN ALA 45 15.457 -8.298 2.904 345 HA ALA 45 HA ALA 45 16.698 -6.328 1.332 346 HB1 ALA 45 HB1 ALA 45 15.877 -8.459 0.440 347 HB2 ALA 45 HB2 ALA 45 15.242 -7.083 -0.463 348 HB3 ALA 45 HB3 ALA 45 14.218 -7.923 0.702 349 H TYR 46 HN TYR 46 13.921 -6.261 3.286 350 HA TYR 46 HA TYR 46 13.293 -3.554 2.384 351 HB2 TYR 46 HB2 TYR 46 10.885 -4.303 3.292 352 HB3 TYR 46 HB1 TYR 46 11.359 -4.521 1.609 353 HD1 TYR 46 HD1 TYR 46 11.394 -6.318 4.881 354 HD2 TYR 46 HD2 TYR 46 11.172 -6.615 0.641 355 HE1 TYR 46 HE1 TYR 46 10.996 -8.735 5.081 356 HE2 TYR 46 HE2 TYR 46 10.777 -9.039 0.830 357 HH TYR 46 HH TYR 46 10.047 -10.555 3.815 358 H LYS 47 HN LYS 47 12.851 -2.114 4.034 359 HA LYS 47 HA LYS 47 13.788 -3.036 6.663 360 HB2 LYS 47 HB2 LYS 47 13.562 -0.251 5.495 361 HB3 LYS 47 HB1 LYS 47 14.048 -0.583 7.146 362 HG2 LYS 47 HG2 LYS 47 16.016 -0.162 5.887 363 HG3 LYS 47 HG1 LYS 47 15.977 -1.887 6.244 364 HD2 LYS 47 HD2 LYS 47 16.668 -1.566 3.960 365 HD3 LYS 47 HD1 LYS 47 15.059 -2.288 3.976 366 HE2 LYS 47 HE2 LYS 47 14.153 0.064 3.716 367 HE3 LYS 47 HE1 LYS 47 15.810 0.568 3.391 368 HZ1 LYS 47 HZ1 LYS 47 14.199 -1.383 1.835 369 HZ2 LYS 47 HZ2 LYS 47 15.840 -1.066 1.559 370 HZ3 LYS 47 HZ3 LYS 47 14.693 0.157 1.329 371 H LEU 48 HN LEU 48 11.056 -1.920 4.960 372 HA LEU 48 HA LEU 48 9.491 -2.000 7.434 373 HB2 LEU 48 HB2 LEU 48 10.180 0.379 6.290 374 HB3 LEU 48 HB1 LEU 48 8.663 0.047 5.480 375 HG LEU 48 HG LEU 48 8.295 1.463 7.416 376 HD11 LEU 48 HD11 LEU 48 6.720 -0.014 8.692 377 HD12 LEU 48 HD12 LEU 48 7.266 -1.343 7.675 378 HD13 LEU 48 HD13 LEU 48 6.468 0.054 6.952 379 HD21 LEU 48 HD21 LEU 48 10.228 0.770 8.739 380 HD22 LEU 48 HD22 LEU 48 9.458 -0.789 9.035 381 HD23 LEU 48 HD23 LEU 48 8.732 0.685 9.671 382 H ARG 49 HN ARG 49 7.673 -3.151 7.218 383 HA ARG 49 HA ARG 49 6.689 -3.697 4.490 384 HB2 ARG 49 HB2 ARG 49 7.519 -5.673 5.861 385 HB3 ARG 49 HB1 ARG 49 6.162 -5.380 6.941 386 HG2 ARG 49 HG2 ARG 49 4.643 -5.651 4.977 387 HG3 ARG 49 HG1 ARG 49 6.050 -6.155 4.038 388 HD2 ARG 49 HD2 ARG 49 5.052 -8.154 4.763 389 HD3 ARG 49 HD1 ARG 49 6.424 -7.911 5.843 390 HE ARG 49 HE ARG 49 4.354 -6.744 7.162 391 HH11 ARG 49 HH11 ARG 49 4.913 -9.940 5.831 392 HH12 ARG 49 HH12 ARG 49 3.805 -10.718 6.922 393 HH21 ARG 49 HH21 ARG 49 2.923 -7.773 8.600 394 HH22 ARG 49 HH22 ARG 49 2.684 -9.489 8.496 395 H ILE 50 HN ILE 50 4.811 -2.749 4.016 396 HA ILE 50 HA ILE 50 3.009 -2.052 6.255 397 HB ILE 50 HB ILE 50 3.200 -0.519 3.646 398 HG12 ILE 50 HG12 ILE 50 4.121 1.336 5.113 399 HG13 ILE 50 HG11 ILE 50 4.392 0.117 6.348 400 HG21 ILE 50 HG21 ILE 50 1.023 -0.474 4.768 401 HG22 ILE 50 HG22 ILE 50 1.799 1.110 4.766 402 HG23 ILE 50 HG23 ILE 50 1.802 0.131 6.231 403 HD11 ILE 50 HD11 ILE 50 5.609 0.024 3.604 404 HD12 ILE 50 HD12 ILE 50 5.995 -0.995 4.997 405 HD13 ILE 50 HD13 ILE 50 6.391 0.723 5.022 406 H LEU 51 HN LEU 51 1.030 -2.852 6.149 407 HA LEU 51 HA LEU 51 0.229 -4.211 3.666 408 HB2 LEU 51 HB2 LEU 51 0.192 -5.034 6.491 409 HB3 LEU 51 HB1 LEU 51 -1.281 -5.384 5.610 410 HG LEU 51 HG LEU 51 0.258 -7.291 5.626 411 HD11 LEU 51 HD11 LEU 51 0.198 -7.758 3.250 412 HD12 LEU 51 HD12 LEU 51 -0.053 -6.048 2.903 413 HD13 LEU 51 HD13 LEU 51 -1.290 -6.964 3.764 414 HD21 LEU 51 HD21 LEU 51 2.111 -5.468 4.100 415 HD22 LEU 51 HD22 LEU 51 2.343 -7.199 4.342 416 HD23 LEU 51 HD23 LEU 51 2.376 -6.103 5.723 417 H ILE 52 HN ILE 52 -1.455 -3.330 2.684 418 HA ILE 52 HA ILE 52 -3.489 -1.991 4.349 419 HB ILE 52 HB ILE 52 -2.737 -1.142 1.545 420 HG12 ILE 52 HG12 ILE 52 -2.012 0.989 2.951 421 HG13 ILE 52 HG11 ILE 52 -1.759 -0.214 4.213 422 HG21 ILE 52 HG21 ILE 52 -4.132 0.803 2.020 423 HG22 ILE 52 HG22 ILE 52 -4.503 0.150 3.616 424 HG23 ILE 52 HG23 ILE 52 -5.049 -0.697 2.169 425 HD11 ILE 52 HD11 ILE 52 0.284 0.276 2.972 426 HD12 ILE 52 HD12 ILE 52 -0.493 -0.267 1.484 427 HD13 ILE 52 HD13 ILE 52 -0.207 -1.409 2.799 428 H GLU 53 HN GLU 53 -5.126 -3.438 4.355 429 HA GLU 53 HA GLU 53 -5.827 -4.680 1.785 430 HB2 GLU 53 HB2 GLU 53 -6.893 -6.447 2.989 431 HB3 GLU 53 HB1 GLU 53 -5.302 -6.208 3.692 432 HG2 GLU 53 HG2 GLU 53 -6.372 -4.853 5.477 433 HG3 GLU 53 HG1 GLU 53 -7.937 -5.306 4.813 434 H ASN 54 HN ASN 54 -8.009 -4.831 1.191 435 HA ASN 54 HA ASN 54 -9.604 -2.549 2.113 436 HB2 ASN 54 HB2 ASN 54 -9.027 -3.148 -0.397 437 HB3 ASN 54 HB1 ASN 54 -10.362 -4.277 -0.213 438 HD21 ASN 54 HD21 ASN 54 -11.746 -2.383 1.665 439 HD22 ASN 54 HD22 ASN 54 -12.419 -1.173 0.628 440 H LYS 55 HN LYS 55 -10.887 -3.086 3.763 441 HA LYS 55 HA LYS 55 -12.470 -5.548 3.532 442 HB2 LYS 55 HB2 LYS 55 -12.290 -5.637 6.097 443 HB3 LYS 55 HB1 LYS 55 -10.903 -6.165 5.158 444 HG2 LYS 55 HG2 LYS 55 -9.834 -3.995 5.521 445 HG3 LYS 55 HG1 LYS 55 -11.224 -3.479 6.476 446 HD2 LYS 55 HD2 LYS 55 -9.499 -5.862 7.134 447 HD3 LYS 55 HD1 LYS 55 -9.284 -4.258 7.834 448 HE2 LYS 55 HE2 LYS 55 -11.642 -4.389 8.649 449 HE3 LYS 55 HE1 LYS 55 -11.677 -6.065 8.103 450 HZ1 LYS 55 HZ1 LYS 55 -9.764 -4.963 10.090 451 HZ2 LYS 55 HZ2 LYS 55 -9.896 -6.584 9.613 452 HZ3 LYS 55 HZ3 LYS 55 -11.154 -5.853 10.469 453 H ALA 56 HN ALA 56 -14.276 -4.526 2.876 454 HA ALA 56 HA ALA 56 -15.614 -2.825 4.852 455 HB1 ALA 56 HB1 ALA 56 -14.782 -1.237 3.282 456 HB2 ALA 56 HB2 ALA 56 -16.495 -1.459 2.906 457 HB3 ALA 56 HB3 ALA 56 -15.267 -2.244 1.920 458 HA PRO 57 HA PRO 57 -19.297 -5.256 4.070 459 HB2 PRO 57 HB2 PRO 57 -21.063 -3.336 3.055 460 HB3 PRO 57 HB1 PRO 57 -20.860 -3.750 4.759 461 HG2 PRO 57 HG2 PRO 57 -19.683 -1.494 3.203 462 HG3 PRO 57 HG1 PRO 57 -20.261 -1.525 4.880 463 HD2 PRO 57 HD2 PRO 57 -17.654 -1.567 4.346 464 HD3 PRO 57 HD1 PRO 57 -18.328 -2.555 5.647 465 H ASN 58 HN ASN 58 -18.858 -2.748 1.620 466 HA ASN 58 HA ASN 58 -18.996 -4.841 -0.444 467 HB2 ASN 58 HB2 ASN 58 -20.285 -2.126 -0.500 468 HB3 ASN 58 HB1 ASN 58 -19.936 -3.011 -1.978 469 HD21 ASN 58 HD21 ASN 58 -21.003 -4.342 1.091 470 HD22 ASN 58 HD22 ASN 58 -22.526 -4.913 0.519 471 H SER 59 HN SER 59 -18.361 -1.397 -0.493 472 HA SER 59 HA SER 59 -16.634 -0.136 -1.225 473 HB2 SER 59 HB2 SER 59 -15.206 -1.310 0.311 474 HB3 SER 59 HB1 SER 59 -15.041 -2.665 -0.797 475 HG SER 59 HG SER 59 -13.416 -1.642 -1.616 476 H LYS 60 HN LYS 60 -15.940 0.532 -3.158 477 HA LYS 60 HA LYS 60 -15.937 -1.399 -5.359 478 HB2 LYS 60 HB2 LYS 60 -17.079 0.242 -6.775 479 HB3 LYS 60 HB1 LYS 60 -18.034 -0.196 -5.368 480 HG2 LYS 60 HG2 LYS 60 -17.526 1.868 -4.281 481 HG3 LYS 60 HG1 LYS 60 -16.385 2.306 -5.552 482 HD2 LYS 60 HD2 LYS 60 -19.353 1.914 -5.931 483 HD3 LYS 60 HD1 LYS 60 -18.544 3.473 -5.779 484 HE2 LYS 60 HE2 LYS 60 -18.169 1.437 -7.972 485 HE3 LYS 60 HE1 LYS 60 -18.949 3.010 -8.110 486 HZ1 LYS 60 HZ1 LYS 60 -16.076 2.502 -7.561 487 HZ2 LYS 60 HZ2 LYS 60 -16.795 4.033 -7.552 488 HZ3 LYS 60 HZ3 LYS 60 -16.737 3.135 -8.983 489 HA PRO 61 HA PRO 61 -12.006 1.080 -5.508 490 HB2 PRO 61 HB2 PRO 61 -10.390 -1.063 -5.944 491 HB3 PRO 61 HB1 PRO 61 -10.799 -0.472 -4.332 492 HG2 PRO 61 HG2 PRO 61 -11.940 -2.772 -5.855 493 HG3 PRO 61 HG1 PRO 61 -11.542 -2.659 -4.132 494 HD2 PRO 61 HD2 PRO 61 -14.078 -2.426 -5.090 495 HD3 PRO 61 HD1 PRO 61 -13.520 -1.605 -3.619 496 H ASP 62 HN ASP 62 -11.101 1.733 -7.385 497 HA ASP 62 HA ASP 62 -12.054 0.383 -9.822 498 HB2 ASP 62 HB2 ASP 62 -12.867 2.702 -9.555 499 HB3 ASP 62 HB1 ASP 62 -11.202 3.270 -9.481 500 H ARG 63 HN ARG 63 -9.365 2.580 -9.015 501 HA ARG 63 HA ARG 63 -7.570 0.683 -10.354 502 HB2 ARG 63 HB2 ARG 63 -6.512 2.395 -11.543 503 HB3 ARG 63 HB1 ARG 63 -8.216 2.802 -11.664 504 HG2 ARG 63 HG2 ARG 63 -6.225 4.050 -9.778 505 HG3 ARG 63 HG1 ARG 63 -6.856 4.760 -11.250 506 HD2 ARG 63 HD2 ARG 63 -8.492 4.046 -8.833 507 HD3 ARG 63 HD1 ARG 63 -7.933 5.663 -9.242 508 HE ARG 63 HE ARG 63 -9.672 4.199 -11.115 509 HH11 ARG 63 HH11 ARG 63 -9.167 6.870 -8.899 510 HH12 ARG 63 HH12 ARG 63 -10.531 7.772 -9.477 511 HH21 ARG 63 HH21 ARG 63 -11.484 5.378 -11.858 512 HH22 ARG 63 HH22 ARG 63 -11.849 6.925 -11.158 513 H PHE 64 HN PHE 64 -5.281 1.011 -9.771 514 HA PHE 64 HA PHE 64 -4.920 2.293 -7.155 515 HB2 PHE 64 HB2 PHE 64 -3.921 -0.391 -8.088 516 HB3 PHE 64 HB1 PHE 64 -3.083 0.501 -6.822 517 HD1 PHE 64 HD1 PHE 64 -4.106 0.861 -4.668 518 HD2 PHE 64 HD2 PHE 64 -6.084 -1.386 -7.689 519 HE1 PHE 64 HE1 PHE 64 -5.658 -0.030 -2.981 520 HE2 PHE 64 HE2 PHE 64 -7.645 -2.279 -6.009 521 HZ PHE 64 HZ PHE 64 -7.434 -1.601 -3.651 522 H SER 65 HN SER 65 -3.721 4.023 -7.480 523 HA SER 65 HA SER 65 -1.406 3.782 -9.271 524 HB2 SER 65 HB2 SER 65 -3.177 6.231 -9.075 525 HB3 SER 65 HB1 SER 65 -1.801 6.006 -10.153 526 HG SER 65 HG SER 65 -3.261 4.001 -10.723 527 HA PRO 66 HA PRO 66 -0.090 5.386 -5.180 528 HB2 PRO 66 HB2 PRO 66 1.923 3.635 -4.797 529 HB3 PRO 66 HB1 PRO 66 0.247 3.250 -4.393 530 HG2 PRO 66 HG2 PRO 66 1.870 2.403 -6.740 531 HG3 PRO 66 HG1 PRO 66 0.648 1.504 -5.832 532 HD2 PRO 66 HD2 PRO 66 0.237 2.755 -8.267 533 HD3 PRO 66 HD1 PRO 66 -1.040 2.297 -7.124 534 H SER 67 HN SER 67 1.714 6.635 -4.721 535 HA SER 67 HA SER 67 3.902 6.773 -6.600 536 HB2 SER 67 HB2 SER 67 2.162 9.219 -6.247 537 HB3 SER 67 HB1 SER 67 3.570 9.051 -7.292 538 HG SER 67 HG SER 67 1.797 7.130 -7.877 539 H TYR 68 HN TYR 68 5.695 7.760 -5.764 540 HA TYR 68 HA TYR 68 5.519 8.436 -2.910 541 HB2 TYR 68 HB2 TYR 68 6.990 6.574 -3.259 542 HB3 TYR 68 HB1 TYR 68 7.810 7.394 -4.582 543 HD1 TYR 68 HD2 TYR 68 7.122 7.793 -0.929 544 HD2 TYR 68 HD1 TYR 68 9.806 8.475 -4.161 545 HE1 TYR 68 HE2 TYR 68 8.782 8.705 0.646 546 HE2 TYR 68 HE1 TYR 68 11.462 9.395 -2.594 547 HH TYR 68 HH TYR 68 11.275 9.033 0.732 548 H ASN 69 HN ASN 69 5.611 10.494 -2.446 549 HA ASN 69 HA ASN 69 6.985 12.304 -4.291 550 HB2 ASN 69 HB2 ASN 69 5.863 14.079 -2.759 551 HB3 ASN 69 HB1 ASN 69 4.883 13.206 -3.929 552 HD21 ASN 69 HD21 ASN 69 5.656 13.611 -0.597 553 HD22 ASN 69 HD22 ASN 69 4.282 12.788 0.045 554 H PHE 70 HN PHE 70 8.983 12.826 -3.879 555 HA PHE 70 HA PHE 70 10.351 12.123 -1.506 556 HB2 PHE 70 HB2 PHE 70 11.135 14.001 -3.748 557 HB3 PHE 70 HB1 PHE 70 12.222 13.483 -2.468 558 HD1 PHE 70 HD1 PHE 70 10.235 12.303 -5.351 559 HD2 PHE 70 HD2 PHE 70 13.351 11.431 -2.590 560 HE1 PHE 70 HE1 PHE 70 10.881 10.350 -6.699 561 HE2 PHE 70 HE2 PHE 70 13.999 9.473 -3.930 562 HZ PHE 70 HZ PHE 70 12.764 8.932 -5.991 563 H ALA 71 HN ALA 71 8.695 14.959 -2.552 564 HA ALA 71 HA ALA 71 9.793 16.959 -1.001 565 HB1 ALA 71 HB1 ALA 71 8.121 17.337 -2.738 566 HB2 ALA 71 HB2 ALA 71 7.643 18.094 -1.218 567 HB3 ALA 71 HB3 ALA 71 6.891 16.581 -1.727 568 H GLU 72 HN GLU 72 7.228 14.668 -0.139 569 HA GLU 72 HA GLU 72 7.410 15.606 2.647 570 HB2 GLU 72 HB2 GLU 72 5.121 13.959 1.669 571 HB3 GLU 72 HB1 GLU 72 5.157 15.169 2.942 572 HG2 GLU 72 HG2 GLU 72 5.278 16.941 1.279 573 HG3 GLU 72 HG1 GLU 72 5.286 15.738 -0.009 574 H ASN 73 HN ASN 73 8.563 13.310 0.746 575 HA ASN 73 HA ASN 73 9.127 11.129 0.778 576 HB2 ASN 73 HB2 ASN 73 10.145 10.286 2.890 577 HB3 ASN 73 HB1 ASN 73 10.758 11.850 2.377 578 HD21 ASN 73 HD21 ASN 73 8.683 10.205 4.665 579 HD22 ASN 73 HD22 ASN 73 8.669 11.467 5.844 580 H ILE 74 HN ILE 74 6.481 11.287 0.623 581 HA ILE 74 HA ILE 74 5.541 9.119 2.383 582 HB ILE 74 HB ILE 74 4.015 11.520 1.380 583 HG12 ILE 74 HG12 ILE 74 4.390 10.604 4.220 584 HG13 ILE 74 HG11 ILE 74 5.574 11.630 3.421 585 HG21 ILE 74 HG21 ILE 74 2.979 9.126 2.892 586 HG22 ILE 74 HG22 ILE 74 2.584 9.563 1.231 587 HG23 ILE 74 HG23 ILE 74 2.069 10.600 2.562 588 HD11 ILE 74 HD11 ILE 74 2.681 12.288 3.888 589 HD12 ILE 74 HD12 ILE 74 3.852 13.311 3.052 590 HD13 ILE 74 HD13 ILE 74 4.068 12.940 4.763 591 H LEU 75 HN LEU 75 4.544 7.435 1.453 592 HA LEU 75 HA LEU 75 4.294 7.418 -1.473 593 HB2 LEU 75 HB2 LEU 75 5.751 5.712 -0.417 594 HB3 LEU 75 HB1 LEU 75 4.394 5.142 0.525 595 HG LEU 75 HG LEU 75 5.123 3.780 -1.526 596 HD11 LEU 75 HD11 LEU 75 2.242 4.585 -1.194 597 HD12 LEU 75 HD12 LEU 75 3.083 3.290 -0.341 598 HD13 LEU 75 HD13 LEU 75 2.809 3.170 -2.079 599 HD21 LEU 75 HD21 LEU 75 3.598 5.970 -2.918 600 HD22 LEU 75 HD22 LEU 75 4.124 4.451 -3.645 601 HD23 LEU 75 HD23 LEU 75 5.317 5.623 -3.090 602 H TYR 76 HN TYR 76 2.266 8.104 -1.996 603 HA TYR 76 HA TYR 76 0.066 7.279 -0.268 604 HB2 TYR 76 HB2 TYR 76 -1.183 9.030 -1.093 605 HB3 TYR 76 HB1 TYR 76 0.435 9.691 -1.229 606 HD1 TYR 76 HD2 TYR 76 -2.431 8.336 -3.072 607 HD2 TYR 76 HD1 TYR 76 1.394 10.168 -3.397 608 HE1 TYR 76 HE2 TYR 76 -2.876 8.824 -5.436 609 HE2 TYR 76 HE1 TYR 76 0.953 10.673 -5.765 610 HH TYR 76 HH TYR 76 -0.484 9.785 -7.603 611 H ILE 77 HN ILE 77 -1.645 6.048 -0.939 612 HA ILE 77 HA ILE 77 -1.018 4.223 -3.116 613 HB ILE 77 HB ILE 77 -3.216 4.176 -1.042 614 HG12 ILE 77 HG12 ILE 77 -1.006 3.804 -0.084 615 HG13 ILE 77 HG11 ILE 77 -1.932 2.308 -0.069 616 HG21 ILE 77 HG21 ILE 77 -3.980 3.055 -3.032 617 HG22 ILE 77 HG22 ILE 77 -3.624 1.862 -1.782 618 HG23 ILE 77 HG23 ILE 77 -2.493 2.111 -3.112 619 HD11 ILE 77 HD11 ILE 77 -0.710 1.558 -2.063 620 HD12 ILE 77 HD12 ILE 77 0.353 1.876 -0.693 621 HD13 ILE 77 HD13 ILE 77 0.246 3.040 -2.012 622 H ASN 78 HN ASN 78 -3.778 6.135 -2.037 623 HA ASN 78 HA ASN 78 -4.443 6.894 -4.740 624 HB2 ASN 78 HB2 ASN 78 -6.133 5.006 -3.135 625 HB3 ASN 78 HB1 ASN 78 -6.939 6.222 -4.118 626 HD21 ASN 78 HD21 ASN 78 -6.998 3.345 -4.383 627 HD22 ASN 78 HD22 ASN 78 -6.425 2.992 -5.975 628 H GLY 79 HN GLY 79 -6.591 8.307 -4.517 629 HA2 GLY 79 HA2 GLY 79 -5.929 10.321 -2.574 630 HA3 GLY 79 HA1 GLY 79 -7.239 10.387 -3.739 631 H LYS 80 HN LYS 80 -6.654 7.924 -1.276 632 HA LYS 80 HA LYS 80 -8.997 8.835 0.169 633 HB2 LYS 80 HB2 LYS 80 -10.107 7.001 -0.509 634 HB3 LYS 80 HB1 LYS 80 -8.719 6.505 -1.453 635 HG2 LYS 80 HG2 LYS 80 -9.449 4.726 -0.025 636 HG3 LYS 80 HG1 LYS 80 -7.851 5.286 0.461 637 HD2 LYS 80 HD2 LYS 80 -9.097 4.961 2.447 638 HD3 LYS 80 HD1 LYS 80 -8.965 6.699 2.164 639 HE2 LYS 80 HE2 LYS 80 -11.366 5.250 1.141 640 HE3 LYS 80 HE1 LYS 80 -11.264 5.598 2.862 641 HZ1 LYS 80 HZ1 LYS 80 -11.257 7.552 0.628 642 HZ2 LYS 80 HZ2 LYS 80 -10.885 7.968 2.223 643 HZ3 LYS 80 HZ3 LYS 80 -12.420 7.374 1.842 644 H LEU 81 HN LEU 81 -5.941 7.069 0.086 645 HA LEU 81 HA LEU 81 -5.307 8.094 2.686 646 HB2 LEU 81 HB2 LEU 81 -4.495 5.756 3.435 647 HB3 LEU 81 HB1 LEU 81 -6.161 6.225 3.674 648 HG LEU 81 HG LEU 81 -6.924 4.769 1.976 649 HD11 LEU 81 HD11 LEU 81 -5.339 3.425 0.585 650 HD12 LEU 81 HD12 LEU 81 -4.044 4.487 1.149 651 HD13 LEU 81 HD13 LEU 81 -5.380 5.147 0.202 652 HD21 LEU 81 HD21 LEU 81 -4.694 3.435 3.487 653 HD22 LEU 81 HD22 LEU 81 -6.025 2.604 2.684 654 HD23 LEU 81 HD23 LEU 81 -6.348 3.674 4.049 655 H SER 82 HN SER 82 -3.111 7.968 3.236 656 HA SER 82 HA SER 82 -1.318 7.130 1.075 657 HB2 SER 82 HB2 SER 82 0.080 9.166 1.662 658 HB3 SER 82 HB1 SER 82 -1.452 9.502 0.860 659 HG SER 82 HG SER 82 -0.785 10.722 2.893 660 H ILE 83 HN ILE 83 0.748 6.410 1.745 661 HA ILE 83 HA ILE 83 0.872 5.705 4.599 662 HB ILE 83 HB ILE 83 2.253 4.388 2.251 663 HG12 ILE 83 HG12 ILE 83 -0.146 3.939 2.239 664 HG13 ILE 83 HG11 ILE 83 0.737 2.490 2.702 665 HG21 ILE 83 HG21 ILE 83 2.180 3.586 5.157 666 HG22 ILE 83 HG22 ILE 83 3.570 4.247 4.296 667 HG23 ILE 83 HG23 ILE 83 2.926 2.668 3.848 668 HD11 ILE 83 HD11 ILE 83 -1.248 2.747 4.053 669 HD12 ILE 83 HD12 ILE 83 -0.727 4.352 4.560 670 HD13 ILE 83 HD13 ILE 83 0.193 2.931 5.053 671 HA PRO 84 HA PRO 84 4.275 8.678 4.349 672 HB2 PRO 84 HB2 PRO 84 4.331 9.264 6.981 673 HB3 PRO 84 HB1 PRO 84 3.152 9.975 5.875 674 HG2 PRO 84 HG2 PRO 84 2.821 7.729 7.813 675 HG3 PRO 84 HG1 PRO 84 1.694 9.035 7.407 676 HD2 PRO 84 HD2 PRO 84 1.522 6.481 6.411 677 HD3 PRO 84 HD1 PRO 84 0.863 7.913 5.598 678 H LEU 85 HN LEU 85 6.375 8.232 4.481 679 HA LEU 85 HA LEU 85 7.175 5.857 5.990 680 HB2 LEU 85 HB2 LEU 85 8.621 7.424 3.850 681 HB3 LEU 85 HB1 LEU 85 9.310 6.058 4.700 682 HG LEU 85 HG LEU 85 8.611 5.157 2.673 683 HD11 LEU 85 HD11 LEU 85 6.317 4.686 4.566 684 HD12 LEU 85 HD12 LEU 85 7.849 3.812 4.549 685 HD13 LEU 85 HD13 LEU 85 6.743 3.683 3.182 686 HD21 LEU 85 HD21 LEU 85 6.422 5.568 1.654 687 HD22 LEU 85 HD22 LEU 85 7.362 7.048 1.838 688 HD23 LEU 85 HD23 LEU 85 6.040 6.699 2.952 689 HA PRO 86 HA PRO 86 9.086 8.359 9.093 690 HB2 PRO 86 HB2 PRO 86 11.005 6.581 9.919 691 HB3 PRO 86 HB1 PRO 86 9.319 6.519 10.437 692 HG2 PRO 86 HG2 PRO 86 10.720 4.930 8.341 693 HG3 PRO 86 HG1 PRO 86 9.489 4.410 9.505 694 HD2 PRO 86 HD2 PRO 86 8.924 4.916 6.904 695 HD3 PRO 86 HD1 PRO 86 7.754 5.204 8.210 696 H ARG 87 HN ARG 87 10.771 9.746 9.166 697 HA ARG 87 HA ARG 87 12.270 10.049 6.759 698 HB2 ARG 87 HB2 ARG 87 12.217 11.570 9.355 699 HB3 ARG 87 HB1 ARG 87 13.364 11.963 8.085 700 HG2 ARG 87 HG2 ARG 87 11.546 13.448 7.850 701 HG3 ARG 87 HG1 ARG 87 11.405 12.273 6.546 702 HD2 ARG 87 HD2 ARG 87 9.728 11.045 7.859 703 HD3 ARG 87 HD1 ARG 87 9.857 12.256 9.134 704 HE ARG 87 HE ARG 87 9.253 13.526 6.691 705 HH11 ARG 87 HH11 ARG 87 7.768 11.461 9.099 706 HH12 ARG 87 HH12 ARG 87 6.161 12.033 8.782 707 HH21 ARG 87 HH21 ARG 87 7.136 14.274 6.268 708 HH22 ARG 87 HH22 ARG 87 5.806 13.649 7.191 709 H ASP 88 HN ASP 88 12.730 8.046 9.274 710 HA ASP 88 HA ASP 88 15.582 8.260 9.607 711 HB2 ASP 88 HB2 ASP 88 14.206 7.443 11.443 712 HB3 ASP 88 HB1 ASP 88 13.575 6.147 10.436 713 H ILE 89 HN ILE 89 13.454 6.938 7.352 714 HA ILE 89 HA ILE 89 15.452 5.017 6.363 715 HB ILE 89 HB ILE 89 12.488 5.131 5.781 716 HG12 ILE 89 HG12 ILE 89 14.053 3.227 7.535 717 HG13 ILE 89 HG11 ILE 89 12.984 4.499 8.114 718 HG21 ILE 89 HG21 ILE 89 13.799 4.173 3.949 719 HG22 ILE 89 HG22 ILE 89 12.801 2.952 4.739 720 HG23 ILE 89 HG23 ILE 89 14.532 3.028 5.073 721 HD11 ILE 89 HD11 ILE 89 11.913 2.322 8.194 722 HD12 ILE 89 HD12 ILE 89 12.157 2.131 6.458 723 HD13 ILE 89 HD13 ILE 89 11.092 3.399 7.066 724 H VAL 90 HN VAL 90 16.299 5.304 4.376 725 HA VAL 90 HA VAL 90 15.356 7.541 2.764 726 HB VAL 90 HB VAL 90 17.748 7.463 2.970 727 HG11 VAL 90 HG11 VAL 90 19.095 5.574 2.188 728 HG12 VAL 90 HG12 VAL 90 17.622 4.657 1.874 729 HG13 VAL 90 HG13 VAL 90 18.041 5.115 3.524 730 HG21 VAL 90 HG21 VAL 90 18.430 7.338 0.618 731 HG22 VAL 90 HG22 VAL 90 16.890 8.177 0.808 732 HG23 VAL 90 HG23 VAL 90 16.922 6.511 0.228 733 H VAL 91 HN VAL 91 13.785 7.179 1.373 734 HA VAL 91 HA VAL 91 13.569 4.483 0.209 735 HB VAL 91 HB VAL 91 11.821 4.634 1.805 736 HG11 VAL 91 HG11 VAL 91 10.210 6.460 1.903 737 HG12 VAL 91 HG12 VAL 91 11.095 7.308 0.636 738 HG13 VAL 91 HG13 VAL 91 11.854 7.024 2.203 739 HG21 VAL 91 HG21 VAL 91 9.781 4.584 0.440 740 HG22 VAL 91 HG22 VAL 91 11.105 3.679 -0.292 741 HG23 VAL 91 HG23 VAL 91 10.684 5.277 -0.906 742 H ASN 92 HN ASN 92 13.100 4.288 -1.878 743 HA ASN 92 HA ASN 92 12.564 6.660 -3.490 744 HB2 ASN 92 HB2 ASN 92 14.339 5.333 -5.088 745 HB3 ASN 92 HB1 ASN 92 14.725 6.753 -4.130 746 HD21 ASN 92 HD21 ASN 92 14.728 3.251 -4.111 747 HD22 ASN 92 HD22 ASN 92 16.078 3.070 -3.048 748 H ALA 93 HN ALA 93 12.055 6.026 -5.777 749 HA ALA 93 HA ALA 93 9.891 4.258 -5.760 750 HB1 ALA 93 HB1 ALA 93 11.415 5.327 -8.132 751 HB2 ALA 93 HB2 ALA 93 10.095 6.148 -7.299 752 HB3 ALA 93 HB3 ALA 93 9.790 4.641 -8.162 753 H ALA 94 HN ALA 94 13.233 3.724 -6.298 754 HA ALA 94 HA ALA 94 12.868 1.254 -7.773 755 HB1 ALA 94 HB1 ALA 94 14.768 2.713 -8.249 756 HB2 ALA 94 HB2 ALA 94 15.294 1.108 -7.739 757 HB3 ALA 94 HB3 ALA 94 15.370 2.462 -6.612 758 H ASP 95 HN ASP 95 12.905 2.187 -4.536 759 HA ASP 95 HA ASP 95 13.812 -0.443 -3.585 760 HB2 ASP 95 HB2 ASP 95 14.861 1.687 -2.708 761 HB3 ASP 95 HB1 ASP 95 13.309 2.065 -1.975 762 H ILE 96 HN ILE 96 11.150 1.687 -3.877 763 HA ILE 96 HA ILE 96 9.371 0.450 -2.032 764 HB ILE 96 HB ILE 96 8.943 2.259 -4.409 765 HG12 ILE 96 HG12 ILE 96 8.652 2.890 -1.480 766 HG13 ILE 96 HG11 ILE 96 10.177 3.071 -2.343 767 HG21 ILE 96 HG21 ILE 96 6.669 2.615 -3.598 768 HG22 ILE 96 HG22 ILE 96 6.929 1.434 -2.313 769 HG23 ILE 96 HG23 ILE 96 6.929 0.917 -3.998 770 HD11 ILE 96 HD11 ILE 96 9.176 4.666 -3.842 771 HD12 ILE 96 HD12 ILE 96 8.940 5.171 -2.168 772 HD13 ILE 96 HD13 ILE 96 7.607 4.448 -3.067 773 H LYS 97 HN LYS 97 8.609 -1.548 -2.236 774 HA LYS 97 HA LYS 97 8.095 -2.619 -4.936 775 HB2 LYS 97 HB2 LYS 97 8.236 -4.270 -2.419 776 HB3 LYS 97 HB1 LYS 97 8.436 -4.799 -4.079 777 HG2 LYS 97 HG2 LYS 97 10.372 -3.171 -2.450 778 HG3 LYS 97 HG1 LYS 97 10.557 -4.847 -2.964 779 HD2 LYS 97 HD2 LYS 97 10.330 -2.515 -4.863 780 HD3 LYS 97 HD1 LYS 97 11.860 -3.184 -4.303 781 HE2 LYS 97 HE2 LYS 97 9.737 -4.708 -5.807 782 HE3 LYS 97 HE1 LYS 97 11.203 -4.037 -6.517 783 HZ1 LYS 97 HZ1 LYS 97 12.467 -5.455 -4.927 784 HZ2 LYS 97 HZ2 LYS 97 11.590 -6.314 -6.088 785 HZ3 LYS 97 HZ3 LYS 97 11.007 -6.205 -4.504 786 H ILE 98 HN ILE 98 6.001 -2.248 -5.446 787 HA ILE 98 HA ILE 98 3.970 -2.605 -3.344 788 HB ILE 98 HB ILE 98 3.784 -1.000 -5.899 789 HG12 ILE 98 HG12 ILE 98 4.042 -0.136 -3.013 790 HG13 ILE 98 HG11 ILE 98 5.278 0.014 -4.254 791 HG21 ILE 98 HG21 ILE 98 1.834 -1.219 -3.610 792 HG22 ILE 98 HG22 ILE 98 1.632 -1.945 -5.203 793 HG23 ILE 98 HG23 ILE 98 1.661 -0.191 -5.032 794 HD11 ILE 98 HD11 ILE 98 4.203 2.137 -3.875 795 HD12 ILE 98 HD12 ILE 98 2.624 1.424 -4.205 796 HD13 ILE 98 HD13 ILE 98 3.823 1.546 -5.492 797 H PHE 99 HN PHE 99 2.734 -4.343 -3.483 798 HA PHE 99 HA PHE 99 2.063 -5.439 -6.123 799 HB2 PHE 99 HB2 PHE 99 3.037 -6.999 -3.726 800 HB3 PHE 99 HB1 PHE 99 2.260 -7.738 -5.119 801 HD1 PHE 99 HD1 PHE 99 3.400 -7.881 -7.247 802 HD2 PHE 99 HD2 PHE 99 5.293 -6.164 -3.847 803 HE1 PHE 99 HE1 PHE 99 5.579 -8.062 -8.373 804 HE2 PHE 99 HE2 PHE 99 7.475 -6.343 -4.967 805 HZ PHE 99 HZ PHE 99 7.620 -7.292 -7.234 806 H HIS 100 HN HIS 100 -0.051 -5.662 -6.346 807 HA HIS 100 HA HIS 100 -1.719 -5.655 -3.923 808 HB2 HIS 100 HB2 HIS 100 -2.168 -3.780 -5.406 809 HB3 HIS 100 HB1 HIS 100 -2.396 -4.871 -6.763 810 HD1 HIS 100 HD1 HIS 100 -4.804 -5.126 -7.323 811 HD2 HIS 100 HD2 HIS 100 -4.201 -4.587 -3.235 812 HE1 HIS 100 HE1 HIS 100 -7.087 -5.180 -6.283 813 HE2 HIS 100 HE2 HIS 100 -6.713 -4.696 -3.841 814 H ILE 101 HN ILE 101 -2.345 -7.620 -3.333 815 HA ILE 101 HA ILE 101 -2.837 -9.668 -5.341 816 HB ILE 101 HB ILE 101 -2.864 -9.763 -2.323 817 HG12 ILE 101 HG12 ILE 101 -1.152 -11.606 -2.841 818 HG13 ILE 101 HG11 ILE 101 -1.113 -10.948 -4.469 819 HG21 ILE 101 HG21 ILE 101 -3.350 -12.162 -2.513 820 HG22 ILE 101 HG22 ILE 101 -3.596 -11.962 -4.248 821 HG23 ILE 101 HG23 ILE 101 -4.677 -11.164 -3.107 822 HD11 ILE 101 HD11 ILE 101 -0.484 -9.397 -1.980 823 HD12 ILE 101 HD12 ILE 101 -0.293 -8.855 -3.649 824 HD13 ILE 101 HD13 ILE 101 0.712 -10.168 -3.023 825 H ARG 102 HN ARG 102 -4.745 -9.898 -6.244 826 HA ARG 102 HA ARG 102 -7.018 -8.435 -5.230 827 HB2 ARG 102 HB2 ARG 102 -6.790 -10.244 -7.640 828 HB3 ARG 102 HB1 ARG 102 -8.126 -9.158 -7.289 829 HG2 ARG 102 HG2 ARG 102 -6.475 -7.265 -7.372 830 HG3 ARG 102 HG1 ARG 102 -5.298 -8.424 -7.991 831 HD2 ARG 102 HD2 ARG 102 -6.370 -7.186 -9.804 832 HD3 ARG 102 HD1 ARG 102 -6.756 -8.905 -9.886 833 HE ARG 102 HE ARG 102 -8.956 -8.433 -9.270 834 HH11 ARG 102 HH11 ARG 102 -7.008 -5.509 -9.351 835 HH12 ARG 102 HH12 ARG 102 -8.391 -4.454 -9.352 836 HH21 ARG 102 HH21 ARG 102 -10.761 -7.037 -9.256 837 HH22 ARG 102 HH22 ARG 102 -10.518 -5.319 -9.293 838 H LYS 103 HN LYS 103 -5.835 -11.658 -5.178 839 HA LYS 103 HA LYS 103 -8.150 -13.147 -4.812 840 HB2 LYS 103 HB2 LYS 103 -5.911 -14.105 -5.173 841 HB3 LYS 103 HB1 LYS 103 -5.425 -13.570 -3.572 842 HG2 LYS 103 HG2 LYS 103 -5.908 -15.909 -3.507 843 HG3 LYS 103 HG1 LYS 103 -7.143 -15.044 -2.594 844 HD2 LYS 103 HD2 LYS 103 -8.182 -16.769 -3.928 845 HD3 LYS 103 HD1 LYS 103 -8.643 -15.186 -4.553 846 HE2 LYS 103 HE2 LYS 103 -8.106 -16.788 -6.343 847 HE3 LYS 103 HE1 LYS 103 -7.038 -15.388 -6.351 848 HZ1 LYS 103 HZ1 LYS 103 -5.282 -16.647 -5.458 849 HZ2 LYS 103 HZ2 LYS 103 -5.953 -17.620 -6.666 850 HZ3 LYS 103 HZ3 LYS 103 -6.294 -17.939 -5.041 851 H GLU 104 HN GLU 104 -6.175 -11.432 -2.413 852 HA GLU 104 HA GLU 104 -8.282 -11.940 -0.434 853 HB2 GLU 104 HB2 GLU 104 -6.534 -11.287 1.252 854 HB3 GLU 104 HB1 GLU 104 -6.232 -12.792 0.399 855 HG2 GLU 104 HG2 GLU 104 -4.612 -11.692 -1.014 856 HG3 GLU 104 HG1 GLU 104 -4.973 -10.141 -0.259 857 H ARG 105 HN ARG 105 -7.444 -9.673 -2.556 858 HA ARG 105 HA ARG 105 -7.710 -7.432 -2.805 859 HB2 ARG 105 HB2 ARG 105 -9.534 -7.797 -0.420 860 HB3 ARG 105 HB1 ARG 105 -9.452 -6.341 -1.399 861 HG2 ARG 105 HG2 ARG 105 -10.265 -7.526 -3.324 862 HG3 ARG 105 HG1 ARG 105 -10.208 -9.057 -2.449 863 HD2 ARG 105 HD2 ARG 105 -11.932 -6.692 -1.720 864 HD3 ARG 105 HD1 ARG 105 -12.487 -8.129 -2.579 865 HE ARG 105 HE ARG 105 -11.422 -9.166 -0.333 866 HH11 ARG 105 HH11 ARG 105 -13.744 -6.599 -0.869 867 HH12 ARG 105 HH12 ARG 105 -14.584 -6.881 0.622 868 HH21 ARG 105 HH21 ARG 105 -12.517 -9.524 1.636 869 HH22 ARG 105 HH22 ARG 105 -13.875 -8.525 2.057 870 H THR 106 HN THR 106 -5.414 -8.228 -1.401 871 HA THR 106 HA THR 106 -5.185 -6.119 0.644 872 HB THR 106 HB THR 106 -3.609 -8.694 0.537 873 HG1 THR 106 HG1 THR 106 -5.004 -9.503 1.981 874 HG21 THR 106 HG21 THR 106 -3.774 -6.496 2.594 875 HG22 THR 106 HG22 THR 106 -2.369 -6.946 1.630 876 HG23 THR 106 HG23 THR 106 -2.988 -8.050 2.858 877 H LEU 107 HN LEU 107 -3.514 -4.715 0.501 878 HA LEU 107 HA LEU 107 -1.813 -4.978 -1.880 879 HB2 LEU 107 HB2 LEU 107 -3.414 -2.902 -1.104 880 HB3 LEU 107 HB1 LEU 107 -1.870 -2.408 -0.440 881 HG LEU 107 HG LEU 107 -2.443 -3.013 -3.343 882 HD11 LEU 107 HD11 LEU 107 -2.034 -0.628 -3.664 883 HD12 LEU 107 HD12 LEU 107 -1.850 -0.425 -1.922 884 HD13 LEU 107 HD13 LEU 107 -3.406 -0.914 -2.593 885 HD21 LEU 107 HD21 LEU 107 0.097 -2.076 -2.020 886 HD22 LEU 107 HD22 LEU 107 -0.175 -2.208 -3.758 887 HD23 LEU 107 HD23 LEU 107 -0.173 -3.657 -2.753 888 H TYR 108 HN TYR 108 0.158 -5.718 -1.453 889 HA TYR 108 HA TYR 108 1.324 -5.342 1.194 890 HB2 TYR 108 HB2 TYR 108 2.134 -7.044 -1.166 891 HB3 TYR 108 HB1 TYR 108 3.088 -6.911 0.307 892 HD1 TYR 108 HD1 TYR 108 -0.403 -7.689 -0.763 893 HD2 TYR 108 HD2 TYR 108 2.765 -8.491 1.958 894 HE1 TYR 108 HE1 TYR 108 -1.742 -9.464 0.257 895 HE2 TYR 108 HE2 TYR 108 1.430 -10.276 2.993 896 HH TYR 108 HH TYR 108 -1.658 -11.300 1.644 897 H ILE 109 HN ILE 109 2.748 -3.839 1.623 898 HA ILE 109 HA ILE 109 4.284 -2.605 -0.572 899 HB ILE 109 HB ILE 109 3.601 -1.433 2.125 900 HG12 ILE 109 HG12 ILE 109 1.598 -1.628 0.728 901 HG13 ILE 109 HG11 ILE 109 2.062 0.056 0.936 902 HG21 ILE 109 HG21 ILE 109 5.700 -0.598 1.208 903 HG22 ILE 109 HG22 ILE 109 4.466 0.661 1.242 904 HG23 ILE 109 HG23 ILE 109 4.870 -0.138 -0.279 905 HD11 ILE 109 HD11 ILE 109 1.355 -0.393 -1.337 906 HD12 ILE 109 HD12 ILE 109 2.596 -1.636 -1.491 907 HD13 ILE 109 HD13 ILE 109 3.060 0.053 -1.285 908 H TYR 110 HN TYR 110 6.389 -3.122 -0.563 909 HA TYR 110 HA TYR 110 7.687 -3.634 2.036 910 HB2 TYR 110 HB2 TYR 110 8.376 -4.873 -0.637 911 HB3 TYR 110 HB1 TYR 110 9.258 -5.128 0.858 912 HD1 TYR 110 HD2 TYR 110 6.120 -5.835 -0.936 913 HD2 TYR 110 HD1 TYR 110 8.460 -6.651 2.521 914 HE1 TYR 110 HE2 TYR 110 4.688 -7.766 -0.429 915 HE2 TYR 110 HE1 TYR 110 7.035 -8.586 3.037 916 HH TYR 110 HH TYR 110 4.913 -9.489 2.576 917 H ILE 111 HN ILE 111 9.318 -2.303 2.518 918 HA ILE 111 HA ILE 111 10.708 -0.916 0.339 919 HB ILE 111 HB ILE 111 9.656 0.452 2.828 920 HG12 ILE 111 HG12 ILE 111 8.928 0.862 -0.082 921 HG13 ILE 111 HG11 ILE 111 7.937 0.002 1.091 922 HG21 ILE 111 HG21 ILE 111 11.293 1.535 0.536 923 HG22 ILE 111 HG22 ILE 111 11.830 1.330 2.203 924 HG23 ILE 111 HG23 ILE 111 10.574 2.509 1.819 925 HD11 ILE 111 HD11 ILE 111 8.692 2.911 1.212 926 HD12 ILE 111 HD12 ILE 111 7.695 2.051 2.384 927 HD13 ILE 111 HD13 ILE 111 7.127 2.258 0.727 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 5.998 18.714 -5.583 2 H2 GLY 1 HT2 GLY 1 5.583 20.305 -5.196 3 H3 GLY 1 HT3 GLY 1 4.717 19.021 -4.525 4 HA2 GLY 1 HA1 GLY 1 6.232 19.969 -2.909 5 HA3 GLY 1 HA2 GLY 1 6.645 18.304 -3.288 6 HA PRO 2 HA PRO 2 10.096 21.461 -4.410 7 HB2 PRO 2 HB2 PRO 2 11.363 21.978 -2.104 8 HB3 PRO 2 HB1 PRO 2 9.937 22.897 -2.607 9 HG2 PRO 2 HG2 PRO 2 10.133 20.615 -0.673 10 HG3 PRO 2 HG1 PRO 2 9.247 22.143 -0.510 11 HD2 PRO 2 HD2 PRO 2 8.064 19.809 -1.262 12 HD3 PRO 2 HD1 PRO 2 7.485 21.400 -1.784 13 H HIS 3 HN HIS 3 10.137 18.793 -4.815 14 HA HIS 3 HA HIS 3 12.924 18.232 -4.518 15 HB2 HIS 3 HB2 HIS 3 11.885 17.424 -2.317 16 HB3 HIS 3 HB1 HIS 3 11.074 16.190 -3.270 17 HD1 HIS 3 HD1 HIS 3 13.495 16.013 -1.019 18 HD2 HIS 3 HD2 HIS 3 13.659 15.256 -5.104 19 HE1 HIS 3 HE1 HIS 3 15.449 14.465 -1.344 20 HE2 HIS 3 HE2 HIS 3 15.553 14.044 -3.826 21 H MET 4 HN MET 4 10.221 15.965 -4.793 22 HA MET 4 HA MET 4 9.687 16.065 -7.469 23 HB2 MET 4 HB2 MET 4 10.942 14.322 -8.533 24 HB3 MET 4 HB1 MET 4 12.100 15.415 -7.789 25 HG2 MET 4 HG2 MET 4 12.356 13.867 -5.924 26 HG3 MET 4 HG1 MET 4 11.199 12.773 -6.673 27 HE1 MET 4 HE1 MET 4 14.709 14.471 -6.975 28 HE2 MET 4 HE2 MET 4 13.995 14.895 -8.530 29 HE3 MET 4 HE3 MET 4 15.343 13.761 -8.458 30 H SER 5 HN SER 5 8.422 14.239 -8.192 31 HA SER 5 HA SER 5 7.633 12.365 -6.079 32 HB2 SER 5 HB2 SER 5 5.224 12.751 -6.840 33 HB3 SER 5 HB1 SER 5 5.956 14.040 -5.883 34 HG SER 5 HG SER 5 5.956 14.030 -8.722 35 H VAL 6 HN VAL 6 7.445 10.335 -6.825 36 HA VAL 6 HA VAL 6 7.363 9.957 -9.749 37 HB VAL 6 HB VAL 6 8.780 7.930 -9.422 38 HG11 VAL 6 HG11 VAL 6 10.888 9.145 -9.189 39 HG12 VAL 6 HG12 VAL 6 10.014 10.534 -8.543 40 HG13 VAL 6 HG13 VAL 6 9.745 10.020 -10.210 41 HG21 VAL 6 HG21 VAL 6 10.143 7.890 -7.296 42 HG22 VAL 6 HG22 VAL 6 8.454 7.408 -7.135 43 HG23 VAL 6 HG23 VAL 6 8.963 9.016 -6.623 44 H GLN 7 HN GLN 7 6.092 8.292 -10.519 45 HA GLN 7 HA GLN 7 4.162 7.287 -8.590 46 HB2 GLN 7 HB2 GLN 7 2.757 6.713 -10.407 47 HB3 GLN 7 HB1 GLN 7 3.441 8.278 -10.803 48 HG2 GLN 7 HG2 GLN 7 4.434 5.651 -11.885 49 HG3 GLN 7 HG1 GLN 7 3.312 6.723 -12.715 50 HE21 GLN 7 HE21 GLN 7 6.581 6.211 -11.717 51 HE22 GLN 7 HE22 GLN 7 7.285 7.472 -12.672 52 H ILE 8 HN ILE 8 3.878 5.142 -8.075 53 HA ILE 8 HA ILE 8 6.120 3.434 -8.918 54 HB ILE 8 HB ILE 8 4.438 2.881 -6.495 55 HG12 ILE 8 HG12 ILE 8 5.227 5.191 -6.231 56 HG13 ILE 8 HG11 ILE 8 6.054 4.116 -5.112 57 HG21 ILE 8 HG21 ILE 8 7.297 2.242 -7.215 58 HG22 ILE 8 HG22 ILE 8 5.931 1.130 -7.292 59 HG23 ILE 8 HG23 ILE 8 6.474 1.751 -5.735 60 HD11 ILE 8 HD11 ILE 8 7.159 5.216 -7.684 61 HD12 ILE 8 HD12 ILE 8 7.992 4.081 -6.620 62 HD13 ILE 8 HD13 ILE 8 7.600 5.702 -6.047 63 HA PRO 9 HA PRO 9 2.957 1.153 -11.069 64 HB2 PRO 9 HB2 PRO 9 4.560 -0.871 -11.933 65 HB3 PRO 9 HB1 PRO 9 4.514 0.723 -12.696 66 HG2 PRO 9 HG2 PRO 9 6.477 -0.379 -10.726 67 HG3 PRO 9 HG1 PRO 9 6.774 0.597 -12.177 68 HD2 PRO 9 HD2 PRO 9 6.774 1.656 -9.688 69 HD3 PRO 9 HD1 PRO 9 6.236 2.573 -11.111 70 H VAL 10 HN VAL 10 1.527 -0.239 -10.277 71 HA VAL 10 HA VAL 10 2.263 -1.913 -8.009 72 HB VAL 10 HB VAL 10 -0.453 -1.593 -9.298 73 HG11 VAL 10 HG11 VAL 10 -1.274 -2.431 -7.124 74 HG12 VAL 10 HG12 VAL 10 0.395 -2.712 -6.628 75 HG13 VAL 10 HG13 VAL 10 -0.286 -3.608 -7.985 76 HG21 VAL 10 HG21 VAL 10 -0.960 -0.047 -7.473 77 HG22 VAL 10 HG22 VAL 10 0.346 0.554 -8.495 78 HG23 VAL 10 HG23 VAL 10 0.711 -0.156 -6.923 79 H VAL 11 HN VAL 11 2.617 -4.043 -8.133 80 HA VAL 11 HA VAL 11 1.981 -5.435 -10.630 81 HB VAL 11 HB VAL 11 3.530 -6.447 -8.238 82 HG11 VAL 11 HG11 VAL 11 2.539 -8.231 -9.551 83 HG12 VAL 11 HG12 VAL 11 4.289 -8.202 -9.780 84 HG13 VAL 11 HG13 VAL 11 3.225 -7.552 -11.028 85 HG21 VAL 11 HG21 VAL 11 4.555 -5.370 -10.861 86 HG22 VAL 11 HG22 VAL 11 5.536 -6.070 -9.574 87 HG23 VAL 11 HG23 VAL 11 4.668 -4.561 -9.299 88 H GLU 12 HN GLU 12 -0.009 -6.272 -10.695 89 HA GLU 12 HA GLU 12 -1.297 -7.042 -8.202 90 HB2 GLU 12 HB2 GLU 12 -2.417 -6.848 -10.996 91 HB3 GLU 12 HB1 GLU 12 -3.347 -7.238 -9.553 92 HG2 GLU 12 HG2 GLU 12 -2.541 -5.033 -8.616 93 HG3 GLU 12 HG1 GLU 12 -1.983 -4.664 -10.241 94 H VAL 13 HN VAL 13 -0.861 -8.941 -7.514 95 HA VAL 13 HA VAL 13 -1.020 -11.242 -9.328 96 HB VAL 13 HB VAL 13 0.892 -12.253 -7.957 97 HG11 VAL 13 HG11 VAL 13 1.195 -11.614 -10.268 98 HG12 VAL 13 HG12 VAL 13 2.622 -11.151 -9.342 99 HG13 VAL 13 HG13 VAL 13 1.436 -9.931 -9.803 100 HG21 VAL 13 HG21 VAL 13 0.896 -10.613 -6.148 101 HG22 VAL 13 HG22 VAL 13 1.334 -9.341 -7.289 102 HG23 VAL 13 HG23 VAL 13 2.462 -10.656 -6.957 103 H ASP 14 HN ASP 14 -0.689 -13.290 -7.673 104 HA ASP 14 HA ASP 14 -2.790 -12.912 -5.654 105 HB2 ASP 14 HB2 ASP 14 -1.833 -15.395 -7.076 106 HB3 ASP 14 HB1 ASP 14 -2.985 -15.417 -5.748 107 H GLU 15 HN GLU 15 0.507 -13.295 -6.001 108 HA GLU 15 HA GLU 15 0.926 -13.445 -3.181 109 HB2 GLU 15 HB2 GLU 15 2.259 -15.506 -3.173 110 HB3 GLU 15 HB1 GLU 15 0.591 -15.832 -3.622 111 HG2 GLU 15 HG2 GLU 15 1.284 -15.847 -5.996 112 HG3 GLU 15 HG1 GLU 15 2.954 -15.643 -5.471 113 H LEU 16 HN LEU 16 3.194 -13.101 -2.644 114 HA LEU 16 HA LEU 16 4.494 -11.510 -4.664 115 HB2 LEU 16 HB2 LEU 16 5.422 -12.112 -1.859 116 HB3 LEU 16 HB1 LEU 16 6.042 -10.863 -2.915 117 HG LEU 16 HG LEU 16 4.731 -9.598 -1.574 118 HD11 LEU 16 HD11 LEU 16 2.595 -9.088 -2.603 119 HD12 LEU 16 HD12 LEU 16 2.684 -10.584 -3.534 120 HD13 LEU 16 HD13 LEU 16 3.861 -9.297 -3.815 121 HD21 LEU 16 HD21 LEU 16 2.633 -10.351 -0.538 122 HD22 LEU 16 HD22 LEU 16 4.027 -11.343 -0.111 123 HD23 LEU 16 HD23 LEU 16 2.862 -11.924 -1.301 124 HA PRO 17 HA PRO 17 7.711 -14.302 -6.015 125 HB2 PRO 17 HB2 PRO 17 9.521 -12.058 -5.266 126 HB3 PRO 17 HB1 PRO 17 9.421 -12.961 -6.774 127 HG2 PRO 17 HG2 PRO 17 8.433 -10.504 -6.616 128 HG3 PRO 17 HG1 PRO 17 7.574 -11.764 -7.524 129 HD2 PRO 17 HD2 PRO 17 6.972 -10.631 -4.823 130 HD3 PRO 17 HD1 PRO 17 5.868 -11.161 -6.101 131 H GLU 18 HN GLU 18 9.811 -15.188 -5.285 132 HA GLU 18 HA GLU 18 9.696 -16.020 -2.593 133 HB2 GLU 18 HB2 GLU 18 11.878 -17.079 -3.024 134 HB3 GLU 18 HB1 GLU 18 10.722 -17.415 -4.304 135 HG2 GLU 18 HG2 GLU 18 11.770 -15.826 -5.753 136 HG3 GLU 18 HG1 GLU 18 12.830 -15.277 -4.455 137 H GLY 19 HN GLY 19 10.860 -15.425 -0.803 138 HA2 GLY 19 HA2 GLY 19 12.576 -14.264 0.348 139 HA3 GLY 19 HA1 GLY 19 12.791 -13.236 -1.060 140 H TYR 20 HN TYR 20 9.617 -13.249 -0.914 141 HA TYR 20 HA TYR 20 9.513 -10.793 0.635 142 HB2 TYR 20 HB2 TYR 20 7.623 -12.170 -1.243 143 HB3 TYR 20 HB1 TYR 20 7.056 -10.878 -0.191 144 HD1 TYR 20 HD2 TYR 20 7.893 -8.599 -0.467 145 HD2 TYR 20 HD1 TYR 20 9.025 -11.695 -3.160 146 HE1 TYR 20 HE2 TYR 20 8.654 -6.909 -2.074 147 HE2 TYR 20 HE1 TYR 20 9.792 -10.012 -4.770 148 HH TYR 20 HH TYR 20 9.504 -7.733 -5.323 149 H ASP 21 HN ASP 21 8.158 -10.422 2.376 150 HA ASP 21 HA ASP 21 7.463 -12.836 3.887 151 HB2 ASP 21 HB2 ASP 21 9.023 -11.269 4.971 152 HB3 ASP 21 HB1 ASP 21 7.820 -9.988 4.846 153 H ARG 22 HN ARG 22 5.429 -13.420 3.526 154 HA ARG 22 HA ARG 22 3.427 -11.330 3.075 155 HB2 ARG 22 HB2 ARG 22 3.626 -12.764 1.186 156 HB3 ARG 22 HB1 ARG 22 3.573 -14.204 2.189 157 HG2 ARG 22 HG2 ARG 22 1.296 -14.066 2.506 158 HG3 ARG 22 HG1 ARG 22 1.247 -12.337 2.158 159 HD2 ARG 22 HD2 ARG 22 1.559 -12.711 -0.158 160 HD3 ARG 22 HD1 ARG 22 1.918 -14.416 0.093 161 HE ARG 22 HE ARG 22 -0.722 -13.233 0.637 162 HH11 ARG 22 HH11 ARG 22 1.253 -15.798 -0.715 163 HH12 ARG 22 HH12 ARG 22 -0.111 -16.755 -1.197 164 HH21 ARG 22 HH21 ARG 22 -2.506 -14.507 0.013 165 HH22 ARG 22 HH22 ARG 22 -2.241 -16.018 -0.799 166 H SER 23 HN SER 23 1.521 -11.292 4.120 167 HA SER 23 HA SER 23 1.020 -13.281 6.215 168 HB2 SER 23 HB2 SER 23 0.578 -10.290 6.451 169 HB3 SER 23 HB1 SER 23 0.178 -11.494 7.676 170 HG SER 23 HG SER 23 2.647 -11.971 7.229 171 H2 PRO 24 HT1 PRO 24 -28.725 14.874 2.811 172 H3 PRO 24 HT2 PRO 24 -28.696 13.346 3.383 173 HA PRO 24 HA PRO 24 -28.892 12.406 1.468 174 HB2 PRO 24 HB2 PRO 24 -30.190 14.306 -0.229 175 HB3 PRO 24 HB1 PRO 24 -30.786 12.734 0.322 176 HG2 PRO 24 HG2 PRO 24 -31.284 15.426 1.427 177 HG3 PRO 24 HG1 PRO 24 -32.278 13.965 1.531 178 HD2 PRO 24 HD2 PRO 24 -30.953 14.882 3.667 179 HD3 PRO 24 HD1 PRO 24 -31.101 13.142 3.365 180 H HIS 25 HN HIS 25 -27.097 14.676 2.428 181 HA HIS 25 HA HIS 25 -25.601 14.868 -0.078 182 HB2 HIS 25 HB2 HIS 25 -26.344 17.234 1.657 183 HB3 HIS 25 HB1 HIS 25 -24.992 17.268 0.532 184 HD1 HIS 25 HD1 HIS 25 -28.349 18.294 0.709 185 HD2 HIS 25 HD2 HIS 25 -26.063 16.431 -2.218 186 HE1 HIS 25 HE1 HIS 25 -29.566 18.688 -1.454 187 HE2 HIS 25 HE2 HIS 25 -28.291 17.348 -3.157 188 H GLU 26 HN GLU 26 -25.125 13.080 1.783 189 HA GLU 26 HA GLU 26 -23.437 14.163 3.896 190 HB2 GLU 26 HB2 GLU 26 -24.072 11.253 3.568 191 HB3 GLU 26 HB1 GLU 26 -23.800 12.165 5.041 192 HG2 GLU 26 HG2 GLU 26 -26.257 12.203 3.307 193 HG3 GLU 26 HG1 GLU 26 -26.102 11.529 4.926 194 H GLN 27 HN GLN 27 -22.003 11.663 4.216 195 HA GLN 27 HA GLN 27 -19.759 12.199 2.553 196 HB2 GLN 27 HB2 GLN 27 -18.780 10.215 3.686 197 HB3 GLN 27 HB1 GLN 27 -19.423 11.409 4.805 198 HG2 GLN 27 HG2 GLN 27 -21.522 9.999 4.890 199 HG3 GLN 27 HG1 GLN 27 -20.600 8.754 4.045 200 HE21 GLN 27 HE21 GLN 27 -20.961 10.552 6.990 201 HE22 GLN 27 HE22 GLN 27 -19.975 9.529 7.977 202 H GLN 28 HN GLN 28 -18.635 10.203 1.506 203 HA GLN 28 HA GLN 28 -20.365 9.370 -0.629 204 HB2 GLN 28 HB2 GLN 28 -17.451 9.011 -0.018 205 HB3 GLN 28 HB1 GLN 28 -18.207 8.067 -1.290 206 HG2 GLN 28 HG2 GLN 28 -17.141 10.001 -2.234 207 HG3 GLN 28 HG1 GLN 28 -18.887 10.140 -2.409 208 HE21 GLN 28 HE21 GLN 28 -19.981 11.737 -1.295 209 HE22 GLN 28 HE22 GLN 28 -19.167 13.042 -0.504 210 H GLU 29 HN GLU 29 -20.593 7.150 -1.325 211 HA GLU 29 HA GLU 29 -20.913 5.367 0.995 212 HB2 GLU 29 HB2 GLU 29 -22.706 4.293 -0.269 213 HB3 GLU 29 HB1 GLU 29 -22.997 6.018 -0.111 214 HG2 GLU 29 HG2 GLU 29 -22.092 6.324 -2.397 215 HG3 GLU 29 HG1 GLU 29 -21.986 4.571 -2.541 216 H ASP 30 HN ASP 30 -19.133 5.832 -1.808 217 HA ASP 30 HA ASP 30 -18.721 3.047 -2.470 218 HB2 ASP 30 HB2 ASP 30 -17.217 3.834 -4.174 219 HB3 ASP 30 HB1 ASP 30 -18.636 4.875 -4.187 220 H VAL 31 HN VAL 31 -17.701 4.906 -0.010 221 HA VAL 31 HA VAL 31 -14.936 4.842 0.011 222 HB VAL 31 HB VAL 31 -16.721 4.715 2.440 223 HG11 VAL 31 HG11 VAL 31 -14.389 4.320 2.970 224 HG12 VAL 31 HG12 VAL 31 -14.877 5.914 3.543 225 HG13 VAL 31 HG13 VAL 31 -13.917 5.762 2.072 226 HG21 VAL 31 HG21 VAL 31 -17.457 6.512 1.016 227 HG22 VAL 31 HG22 VAL 31 -15.801 7.084 0.824 228 HG23 VAL 31 HG23 VAL 31 -16.590 7.186 2.397 229 HA PRO 32 HA PRO 32 -14.312 0.468 0.886 230 HB2 PRO 32 HB2 PRO 32 -11.737 0.427 0.108 231 HB3 PRO 32 HB1 PRO 32 -13.062 0.412 -1.059 232 HG2 PRO 32 HG2 PRO 32 -11.311 2.672 -0.206 233 HG3 PRO 32 HG1 PRO 32 -11.937 2.284 -1.818 234 HD2 PRO 32 HD2 PRO 32 -13.007 4.194 -0.135 235 HD3 PRO 32 HD1 PRO 32 -13.892 3.392 -1.445 236 H GLU 33 HN GLU 33 -13.811 -0.267 2.848 237 HA GLU 33 HA GLU 33 -12.313 1.409 4.664 238 HB2 GLU 33 HB2 GLU 33 -14.434 0.380 5.415 239 HB3 GLU 33 HB1 GLU 33 -13.735 -1.216 5.161 240 HG2 GLU 33 HG2 GLU 33 -12.100 -0.827 6.870 241 HG3 GLU 33 HG1 GLU 33 -12.650 0.834 7.076 242 H TYR 34 HN TYR 34 -10.236 1.241 4.018 243 HA TYR 34 HA TYR 34 -8.953 -1.323 3.725 244 HB2 TYR 34 HB2 TYR 34 -7.848 1.487 3.752 245 HB3 TYR 34 HB1 TYR 34 -6.872 0.049 3.495 246 HD1 TYR 34 HD1 TYR 34 -7.542 -1.453 1.488 247 HD2 TYR 34 HD2 TYR 34 -8.797 2.585 1.938 248 HE1 TYR 34 HE1 TYR 34 -7.979 -1.329 -0.927 249 HE2 TYR 34 HE2 TYR 34 -9.239 2.721 -0.477 250 HH TYR 34 HH TYR 34 -9.344 -0.015 -2.483 251 H GLU 35 HN GLU 35 -7.296 -2.096 5.059 252 HA GLU 35 HA GLU 35 -7.035 -0.774 7.670 253 HB2 GLU 35 HB2 GLU 35 -8.249 -2.948 7.840 254 HB3 GLU 35 HB1 GLU 35 -6.839 -3.750 7.158 255 HG2 GLU 35 HG2 GLU 35 -5.496 -2.922 9.054 256 HG3 GLU 35 HG1 GLU 35 -6.959 -2.232 9.750 257 H VAL 36 HN VAL 36 -5.123 0.113 7.778 258 HA VAL 36 HA VAL 36 -2.910 -0.986 6.234 259 HB VAL 36 HB VAL 36 -3.160 1.330 5.855 260 HG11 VAL 36 HG11 VAL 36 -3.283 1.688 8.843 261 HG12 VAL 36 HG12 VAL 36 -4.594 1.927 7.685 262 HG13 VAL 36 HG13 VAL 36 -3.198 3.005 7.674 263 HG21 VAL 36 HG21 VAL 36 -0.842 0.655 6.157 264 HG22 VAL 36 HG22 VAL 36 -0.953 0.999 7.882 265 HG23 VAL 36 HG23 VAL 36 -1.088 2.311 6.711 266 H LYS 37 HN LYS 37 -1.233 -1.990 7.102 267 HA LYS 37 HA LYS 37 -0.846 -1.889 10.020 268 HB2 LYS 37 HB2 LYS 37 -0.406 -4.310 8.247 269 HB3 LYS 37 HB1 LYS 37 -0.133 -4.232 9.979 270 HG2 LYS 37 HG2 LYS 37 -2.153 -5.311 9.866 271 HG3 LYS 37 HG1 LYS 37 -2.657 -3.637 10.089 272 HD2 LYS 37 HD2 LYS 37 -3.939 -3.931 8.284 273 HD3 LYS 37 HD1 LYS 37 -2.449 -3.887 7.347 274 HE2 LYS 37 HE2 LYS 37 -3.741 -5.839 6.740 275 HE3 LYS 37 HE1 LYS 37 -2.264 -6.332 7.567 276 HZ1 LYS 37 HZ1 LYS 37 -3.503 -6.714 9.565 277 HZ2 LYS 37 HZ2 LYS 37 -4.262 -7.546 8.305 278 HZ3 LYS 37 HZ3 LYS 37 -4.924 -6.096 8.878 279 H MET 38 HN MET 38 1.313 -1.820 10.689 280 HA MET 38 HA MET 38 3.247 -1.393 8.507 281 HB2 MET 38 HB2 MET 38 2.251 0.603 10.034 282 HB3 MET 38 HB1 MET 38 3.645 0.126 10.999 283 HG2 MET 38 HG2 MET 38 5.146 0.678 9.351 284 HG3 MET 38 HG1 MET 38 3.946 0.583 8.074 285 HE1 MET 38 HE1 MET 38 5.510 2.892 7.484 286 HE2 MET 38 HE2 MET 38 4.336 4.208 7.438 287 HE3 MET 38 HE3 MET 38 3.898 2.611 6.822 288 H LYS 39 HN LYS 39 5.325 -2.170 8.824 289 HA LYS 39 HA LYS 39 5.906 -3.493 11.369 290 HB2 LYS 39 HB2 LYS 39 4.683 -4.973 9.511 291 HB3 LYS 39 HB1 LYS 39 6.325 -5.124 8.911 292 HG2 LYS 39 HG2 LYS 39 5.593 -5.740 11.754 293 HG3 LYS 39 HG1 LYS 39 5.496 -6.939 10.465 294 HD2 LYS 39 HD2 LYS 39 7.840 -6.786 10.050 295 HD3 LYS 39 HD1 LYS 39 7.995 -5.389 11.117 296 HE2 LYS 39 HE2 LYS 39 8.793 -7.488 12.144 297 HE3 LYS 39 HE1 LYS 39 7.477 -6.738 13.040 298 HZ1 LYS 39 HZ1 LYS 39 5.943 -8.299 12.035 299 HZ2 LYS 39 HZ2 LYS 39 7.178 -9.124 12.840 300 HZ3 LYS 39 HZ3 LYS 39 7.198 -9.012 11.154 301 H ARG 40 HN ARG 40 8.018 -3.423 11.880 302 HA ARG 40 HA ARG 40 9.852 -2.225 9.941 303 HB2 ARG 40 HB2 ARG 40 9.970 -2.563 12.932 304 HB3 ARG 40 HB1 ARG 40 11.381 -2.104 11.998 305 HG2 ARG 40 HG2 ARG 40 10.420 -0.130 12.898 306 HG3 ARG 40 HG1 ARG 40 10.106 -0.140 11.163 307 HD2 ARG 40 HD2 ARG 40 8.127 0.566 12.342 308 HD3 ARG 40 HD1 ARG 40 7.853 -1.011 11.601 309 HE ARG 40 HE ARG 40 8.707 -1.498 14.189 310 HH11 ARG 40 HH11 ARG 40 6.022 0.160 12.668 311 HH12 ARG 40 HH12 ARG 40 4.906 -0.206 13.946 312 HH21 ARG 40 HH21 ARG 40 7.252 -1.968 15.881 313 HH22 ARG 40 HH22 ARG 40 5.614 -1.395 15.793 314 H PHE 41 HN PHE 41 11.607 -3.222 9.170 315 HA PHE 41 HA PHE 41 12.118 -5.969 10.112 316 HB2 PHE 41 HB2 PHE 41 12.201 -4.827 7.334 317 HB3 PHE 41 HB1 PHE 41 13.135 -6.257 7.749 318 HD1 PHE 41 HD1 PHE 41 9.655 -4.938 8.012 319 HD2 PHE 41 HD2 PHE 41 12.186 -8.316 7.485 320 HE1 PHE 41 HE1 PHE 41 7.682 -6.357 7.650 321 HE2 PHE 41 HE2 PHE 41 10.215 -9.743 7.120 322 HZ PHE 41 HZ PHE 41 7.957 -8.761 7.200 323 H LYS 42 HN LYS 42 14.240 -6.690 10.212 324 HA LYS 42 HA LYS 42 16.310 -4.602 10.073 325 HB2 LYS 42 HB2 LYS 42 16.050 -6.797 12.137 326 HB3 LYS 42 HB1 LYS 42 17.428 -5.716 11.991 327 HG2 LYS 42 HG2 LYS 42 15.909 -3.807 12.425 328 HG3 LYS 42 HG1 LYS 42 14.606 -4.960 12.708 329 HD2 LYS 42 HD2 LYS 42 17.204 -4.875 14.236 330 HD3 LYS 42 HD1 LYS 42 15.685 -4.171 14.793 331 HE2 LYS 42 HE2 LYS 42 16.158 -7.089 14.188 332 HE3 LYS 42 HE1 LYS 42 16.100 -6.372 15.796 333 HZ1 LYS 42 HZ1 LYS 42 13.800 -5.725 15.367 334 HZ2 LYS 42 HZ2 LYS 42 14.002 -7.398 15.238 335 HZ3 LYS 42 HZ3 LYS 42 13.862 -6.457 13.844 336 H GLY 43 HN GLY 43 17.576 -5.097 8.427 337 HA2 GLY 43 HA2 GLY 43 19.085 -6.288 7.156 338 HA3 GLY 43 HA1 GLY 43 18.953 -7.598 8.318 339 H ALA 44 HN ALA 44 16.643 -6.042 6.102 340 HA ALA 44 HA ALA 44 16.412 -8.580 4.652 341 HB1 ALA 44 HB1 ALA 44 13.976 -8.323 4.532 342 HB2 ALA 44 HB2 ALA 44 14.075 -6.906 5.578 343 HB3 ALA 44 HB3 ALA 44 14.522 -8.494 6.201 344 H ALA 45 HN ALA 45 15.161 -8.162 2.529 345 HA ALA 45 HA ALA 45 16.450 -6.147 1.061 346 HB1 ALA 45 HB1 ALA 45 13.878 -7.570 0.389 347 HB2 ALA 45 HB2 ALA 45 15.500 -8.175 0.056 348 HB3 ALA 45 HB3 ALA 45 14.925 -6.713 -0.745 349 H TYR 46 HN TYR 46 13.672 -6.126 3.028 350 HA TYR 46 HA TYR 46 13.055 -3.379 2.245 351 HB2 TYR 46 HB2 TYR 46 10.660 -4.162 3.148 352 HB3 TYR 46 HB1 TYR 46 11.127 -4.348 1.457 353 HD1 TYR 46 HD1 TYR 46 10.914 -6.149 4.694 354 HD2 TYR 46 HD2 TYR 46 11.247 -6.467 0.468 355 HE1 TYR 46 HE1 TYR 46 10.568 -8.577 4.856 356 HE2 TYR 46 HE2 TYR 46 10.902 -8.894 0.614 357 HH TYR 46 HH TYR 46 11.128 -10.687 2.211 358 H LYS 47 HN LYS 47 12.813 -1.975 3.891 359 HA LYS 47 HA LYS 47 13.678 -2.975 6.510 360 HB2 LYS 47 HB2 LYS 47 13.653 -0.211 5.283 361 HB3 LYS 47 HB1 LYS 47 14.039 -0.500 6.969 362 HG2 LYS 47 HG2 LYS 47 16.072 -0.243 5.716 363 HG3 LYS 47 HG1 LYS 47 15.936 -1.912 6.267 364 HD2 LYS 47 HD2 LYS 47 16.722 -1.910 3.999 365 HD3 LYS 47 HD1 LYS 47 15.071 -2.525 4.020 366 HE2 LYS 47 HE2 LYS 47 14.332 -0.177 3.434 367 HE3 LYS 47 HE1 LYS 47 16.031 0.190 3.148 368 HZ1 LYS 47 HZ1 LYS 47 14.343 -1.786 1.718 369 HZ2 LYS 47 HZ2 LYS 47 16.026 -1.707 1.546 370 HZ3 LYS 47 HZ3 LYS 47 15.063 -0.393 1.077 371 H LEU 48 HN LEU 48 11.042 -1.631 4.811 372 HA LEU 48 HA LEU 48 9.446 -1.650 7.270 373 HB2 LEU 48 HB2 LEU 48 10.266 0.685 6.157 374 HB3 LEU 48 HB1 LEU 48 8.776 0.426 5.274 375 HG LEU 48 HG LEU 48 8.441 1.877 7.218 376 HD11 LEU 48 HD11 LEU 48 7.127 -0.809 7.546 377 HD12 LEU 48 HD12 LEU 48 6.593 0.482 6.472 378 HD13 LEU 48 HD13 LEU 48 6.563 0.719 8.214 379 HD21 LEU 48 HD21 LEU 48 10.202 0.951 8.645 380 HD22 LEU 48 HD22 LEU 48 9.241 -0.515 8.859 381 HD23 LEU 48 HD23 LEU 48 8.645 1.026 9.472 382 H ARG 49 HN ARG 49 7.603 -2.733 7.043 383 HA ARG 49 HA ARG 49 6.663 -3.352 4.314 384 HB2 ARG 49 HB2 ARG 49 7.599 -5.291 5.605 385 HB3 ARG 49 HB1 ARG 49 6.328 -5.043 6.794 386 HG2 ARG 49 HG2 ARG 49 4.699 -5.330 4.851 387 HG3 ARG 49 HG1 ARG 49 6.081 -5.970 3.958 388 HD2 ARG 49 HD2 ARG 49 4.920 -7.819 4.925 389 HD3 ARG 49 HD1 ARG 49 6.425 -7.600 5.820 390 HE ARG 49 HE ARG 49 4.663 -6.165 7.272 391 HH11 ARG 49 HH11 ARG 49 4.661 -9.447 6.083 392 HH12 ARG 49 HH12 ARG 49 3.596 -10.037 7.321 393 HH21 ARG 49 HH21 ARG 49 3.277 -6.931 8.930 394 HH22 ARG 49 HH22 ARG 49 2.829 -8.607 8.956 395 H ILE 50 HN ILE 50 4.701 -2.563 3.853 396 HA ILE 50 HA ILE 50 2.895 -1.945 6.111 397 HB ILE 50 HB ILE 50 2.950 -0.415 3.498 398 HG12 ILE 50 HG12 ILE 50 3.829 1.488 4.933 399 HG13 ILE 50 HG11 ILE 50 4.203 0.283 6.154 400 HG21 ILE 50 HG21 ILE 50 1.520 1.159 4.658 401 HG22 ILE 50 HG22 ILE 50 1.608 0.183 6.122 402 HG23 ILE 50 HG23 ILE 50 0.809 -0.456 4.684 403 HD11 ILE 50 HD11 ILE 50 6.098 1.030 4.686 404 HD12 ILE 50 HD12 ILE 50 5.309 0.156 3.370 405 HD13 ILE 50 HD13 ILE 50 5.846 -0.711 4.815 406 H LEU 51 HN LEU 51 0.916 -2.801 6.014 407 HA LEU 51 HA LEU 51 0.161 -4.218 3.542 408 HB2 LEU 51 HB2 LEU 51 -0.069 -4.942 6.425 409 HB3 LEU 51 HB1 LEU 51 -1.335 -5.480 5.345 410 HG LEU 51 HG LEU 51 0.376 -7.203 5.725 411 HD11 LEU 51 HD11 LEU 51 0.741 -7.790 3.397 412 HD12 LEU 51 HD12 LEU 51 0.340 -6.144 2.908 413 HD13 LEU 51 HD13 LEU 51 -0.891 -7.169 3.642 414 HD21 LEU 51 HD21 LEU 51 2.602 -6.939 4.740 415 HD22 LEU 51 HD22 LEU 51 2.317 -5.789 6.045 416 HD23 LEU 51 HD23 LEU 51 2.227 -5.256 4.366 417 H ILE 52 HN ILE 52 -1.518 -3.333 2.535 418 HA ILE 52 HA ILE 52 -3.576 -2.020 4.198 419 HB ILE 52 HB ILE 52 -2.864 -1.193 1.379 420 HG12 ILE 52 HG12 ILE 52 -2.162 0.968 2.749 421 HG13 ILE 52 HG11 ILE 52 -1.871 -0.214 4.023 422 HG21 ILE 52 HG21 ILE 52 -4.642 0.072 3.458 423 HG22 ILE 52 HG22 ILE 52 -5.171 -0.774 2.002 424 HG23 ILE 52 HG23 ILE 52 -4.282 0.745 1.867 425 HD11 ILE 52 HD11 ILE 52 0.150 0.286 2.760 426 HD12 ILE 52 HD12 ILE 52 -0.637 -0.262 1.280 427 HD13 ILE 52 HD13 ILE 52 -0.323 -1.404 2.587 428 H GLU 53 HN GLU 53 -5.183 -3.500 4.237 429 HA GLU 53 HA GLU 53 -5.901 -4.749 1.674 430 HB2 GLU 53 HB2 GLU 53 -6.863 -6.575 2.867 431 HB3 GLU 53 HB1 GLU 53 -5.267 -6.290 3.541 432 HG2 GLU 53 HG2 GLU 53 -6.321 -5.043 5.389 433 HG3 GLU 53 HG1 GLU 53 -7.898 -5.474 4.738 434 H ASN 54 HN ASN 54 -8.110 -5.007 1.167 435 HA ASN 54 HA ASN 54 -9.723 -2.753 2.139 436 HB2 ASN 54 HB2 ASN 54 -9.177 -3.136 -0.367 437 HB3 ASN 54 HB1 ASN 54 -10.343 -4.448 -0.269 438 HD21 ASN 54 HD21 ASN 54 -12.131 -3.082 1.564 439 HD22 ASN 54 HD22 ASN 54 -12.907 -1.850 0.644 440 H LYS 55 HN LYS 55 -11.144 -3.256 3.658 441 HA LYS 55 HA LYS 55 -12.698 -5.709 3.337 442 HB2 LYS 55 HB2 LYS 55 -12.517 -5.863 5.945 443 HB3 LYS 55 HB1 LYS 55 -11.249 -6.527 4.930 444 HG2 LYS 55 HG2 LYS 55 -9.945 -5.401 6.410 445 HG3 LYS 55 HG1 LYS 55 -10.224 -4.093 5.260 446 HD2 LYS 55 HD2 LYS 55 -10.516 -3.318 7.549 447 HD3 LYS 55 HD1 LYS 55 -12.038 -3.243 6.662 448 HE2 LYS 55 HE2 LYS 55 -12.757 -5.329 7.717 449 HE3 LYS 55 HE1 LYS 55 -11.227 -5.420 8.586 450 HZ1 LYS 55 HZ1 LYS 55 -13.103 -4.505 9.896 451 HZ2 LYS 55 HZ2 LYS 55 -13.144 -3.168 8.852 452 HZ3 LYS 55 HZ3 LYS 55 -11.773 -3.468 9.798 453 H ALA 56 HN ALA 56 -14.447 -4.477 2.651 454 HA ALA 56 HA ALA 56 -15.842 -3.138 4.861 455 HB1 ALA 56 HB1 ALA 56 -16.605 -1.367 3.404 456 HB2 ALA 56 HB2 ALA 56 -15.743 -2.080 2.045 457 HB3 ALA 56 HB3 ALA 56 -14.842 -1.417 3.407 458 HA PRO 57 HA PRO 57 -19.274 -5.598 3.604 459 HB2 PRO 57 HB2 PRO 57 -21.355 -4.010 4.322 460 HB3 PRO 57 HB1 PRO 57 -20.389 -4.936 5.472 461 HG2 PRO 57 HG2 PRO 57 -20.237 -2.043 4.765 462 HG3 PRO 57 HG1 PRO 57 -20.061 -2.822 6.345 463 HD2 PRO 57 HD2 PRO 57 -17.949 -1.956 4.864 464 HD3 PRO 57 HD1 PRO 57 -17.852 -3.323 5.984 465 H ASN 58 HN ASN 58 -18.507 -2.753 2.118 466 HA ASN 58 HA ASN 58 -20.277 -3.331 -0.110 467 HB2 ASN 58 HB2 ASN 58 -20.188 -0.667 -0.325 468 HB3 ASN 58 HB1 ASN 58 -21.430 -1.521 0.588 469 HD21 ASN 58 HD21 ASN 58 -21.260 -1.710 2.786 470 HD22 ASN 58 HD22 ASN 58 -20.264 -0.672 3.722 471 H SER 59 HN SER 59 -18.050 -0.694 0.354 472 HA SER 59 HA SER 59 -16.264 0.074 -0.759 473 HB2 SER 59 HB2 SER 59 -14.442 -1.679 -1.104 474 HB3 SER 59 HB1 SER 59 -15.009 -1.420 0.531 475 HG SER 59 HG SER 59 -16.356 -3.366 -0.908 476 H LYS 60 HN LYS 60 -16.328 0.907 -2.644 477 HA LYS 60 HA LYS 60 -16.577 -0.851 -4.988 478 HB2 LYS 60 HB2 LYS 60 -17.624 1.947 -4.566 479 HB3 LYS 60 HB1 LYS 60 -17.651 1.111 -6.113 480 HG2 LYS 60 HG2 LYS 60 -19.050 0.184 -3.610 481 HG3 LYS 60 HG1 LYS 60 -19.815 1.052 -4.938 482 HD2 LYS 60 HD2 LYS 60 -18.491 -1.654 -5.117 483 HD3 LYS 60 HD1 LYS 60 -20.227 -1.356 -5.084 484 HE2 LYS 60 HE2 LYS 60 -18.290 -0.476 -7.220 485 HE3 LYS 60 HE1 LYS 60 -19.496 -1.752 -7.358 486 HZ1 LYS 60 HZ1 LYS 60 -20.256 0.280 -8.399 487 HZ2 LYS 60 HZ2 LYS 60 -20.058 1.136 -6.957 488 HZ3 LYS 60 HZ3 LYS 60 -21.226 -0.080 -7.061 489 HA PRO 61 HA PRO 61 -12.477 1.387 -5.093 490 HB2 PRO 61 HB2 PRO 61 -11.078 -0.757 -6.031 491 HB3 PRO 61 HB1 PRO 61 -11.334 -0.445 -4.311 492 HG2 PRO 61 HG2 PRO 61 -12.806 -2.303 -6.140 493 HG3 PRO 61 HG1 PRO 61 -12.246 -2.580 -4.479 494 HD2 PRO 61 HD2 PRO 61 -14.813 -1.974 -5.036 495 HD3 PRO 61 HD1 PRO 61 -14.015 -1.413 -3.554 496 H ASP 62 HN ASP 62 -11.537 2.258 -6.867 497 HA ASP 62 HA ASP 62 -12.798 1.654 -9.440 498 HB2 ASP 62 HB2 ASP 62 -11.209 4.045 -8.488 499 HB3 ASP 62 HB1 ASP 62 -11.737 3.830 -10.153 500 H ARG 63 HN ARG 63 -9.579 2.595 -8.256 501 HA ARG 63 HA ARG 63 -8.277 0.427 -9.590 502 HB2 ARG 63 HB2 ARG 63 -7.013 1.760 -11.196 503 HB3 ARG 63 HB1 ARG 63 -8.736 1.918 -11.506 504 HG2 ARG 63 HG2 ARG 63 -8.558 4.040 -10.037 505 HG3 ARG 63 HG1 ARG 63 -6.830 3.919 -10.374 506 HD2 ARG 63 HD2 ARG 63 -7.341 3.900 -12.788 507 HD3 ARG 63 HD1 ARG 63 -9.047 4.109 -12.398 508 HE ARG 63 HE ARG 63 -7.086 6.096 -11.490 509 HH11 ARG 63 HH11 ARG 63 -9.870 5.275 -13.460 510 HH12 ARG 63 HH12 ARG 63 -10.274 6.931 -13.789 511 HH21 ARG 63 HH21 ARG 63 -7.618 8.264 -11.936 512 HH22 ARG 63 HH22 ARG 63 -8.996 8.624 -12.928 513 H PHE 64 HN PHE 64 -5.799 0.812 -9.461 514 HA PHE 64 HA PHE 64 -5.221 2.331 -7.005 515 HB2 PHE 64 HB2 PHE 64 -4.147 -0.313 -7.962 516 HB3 PHE 64 HB1 PHE 64 -3.262 0.663 -6.791 517 HD1 PHE 64 HD1 PHE 64 -4.229 1.134 -4.597 518 HD2 PHE 64 HD2 PHE 64 -6.102 -1.526 -7.338 519 HE1 PHE 64 HE1 PHE 64 -5.597 0.215 -2.766 520 HE2 PHE 64 HE2 PHE 64 -7.470 -2.451 -5.513 521 HZ PHE 64 HZ PHE 64 -7.220 -1.579 -3.224 522 H SER 65 HN SER 65 -4.060 4.071 -7.376 523 HA SER 65 HA SER 65 -1.907 3.927 -9.361 524 HB2 SER 65 HB2 SER 65 -3.961 5.049 -10.331 525 HB3 SER 65 HB1 SER 65 -3.768 6.304 -9.110 526 HG SER 65 HG SER 65 -2.173 7.126 -10.210 527 HA PRO 66 HA PRO 66 -0.467 5.764 -5.408 528 HB2 PRO 66 HB2 PRO 66 1.453 4.021 -4.831 529 HB3 PRO 66 HB1 PRO 66 -0.247 3.600 -4.589 530 HG2 PRO 66 HG2 PRO 66 1.596 2.827 -6.807 531 HG3 PRO 66 HG1 PRO 66 0.390 1.845 -5.960 532 HD2 PRO 66 HD2 PRO 66 0.007 3.078 -8.418 533 HD3 PRO 66 HD1 PRO 66 -1.292 2.536 -7.328 534 H SER 67 HN SER 67 1.511 6.780 -4.848 535 HA SER 67 HA SER 67 3.750 6.753 -6.614 536 HB2 SER 67 HB2 SER 67 3.615 9.186 -7.231 537 HB3 SER 67 HB1 SER 67 2.408 8.169 -8.013 538 HG SER 67 HG SER 67 2.038 9.879 -5.782 539 H TYR 68 HN TYR 68 5.538 7.733 -5.769 540 HA TYR 68 HA TYR 68 5.304 8.398 -2.925 541 HB2 TYR 68 HB2 TYR 68 6.699 6.476 -3.310 542 HB3 TYR 68 HB1 TYR 68 7.602 7.319 -4.561 543 HD1 TYR 68 HD2 TYR 68 6.748 7.697 -0.942 544 HD2 TYR 68 HD1 TYR 68 9.661 8.172 -4.009 545 HE1 TYR 68 HE2 TYR 68 8.377 8.444 0.735 546 HE2 TYR 68 HE1 TYR 68 11.296 8.931 -2.331 547 HH TYR 68 HH TYR 68 10.763 8.617 1.039 548 H ASN 69 HN ASN 69 5.462 10.445 -2.417 549 HA ASN 69 HA ASN 69 6.995 12.236 -4.157 550 HB2 ASN 69 HB2 ASN 69 5.928 14.027 -2.621 551 HB3 ASN 69 HB1 ASN 69 4.922 13.237 -3.828 552 HD21 ASN 69 HD21 ASN 69 5.612 13.597 -0.476 553 HD22 ASN 69 HD22 ASN 69 4.188 12.825 0.124 554 H PHE 70 HN PHE 70 8.993 12.666 -3.647 555 HA PHE 70 HA PHE 70 10.202 11.788 -1.236 556 HB2 PHE 70 HB2 PHE 70 11.216 13.623 -3.416 557 HB3 PHE 70 HB1 PHE 70 12.209 13.021 -2.097 558 HD1 PHE 70 HD2 PHE 70 10.125 11.896 -4.954 559 HD2 PHE 70 HD1 PHE 70 13.327 11.004 -2.298 560 HE1 PHE 70 HE2 PHE 70 10.678 9.906 -6.292 561 HE2 PHE 70 HE1 PHE 70 13.885 9.014 -3.629 562 HZ PHE 70 HZ PHE 70 12.558 8.463 -5.626 563 H ALA 71 HN ALA 71 8.718 14.733 -2.216 564 HA ALA 71 HA ALA 71 10.006 16.599 -0.595 565 HB1 ALA 71 HB1 ALA 71 7.133 16.519 -1.488 566 HB2 ALA 71 HB2 ALA 71 8.487 17.255 -2.348 567 HB3 ALA 71 HB3 ALA 71 7.948 17.926 -0.808 568 H GLU 72 HN GLU 72 7.231 14.516 0.134 569 HA GLU 72 HA GLU 72 7.476 15.321 2.959 570 HB2 GLU 72 HB2 GLU 72 5.101 13.862 1.865 571 HB3 GLU 72 HB1 GLU 72 5.208 14.888 3.287 572 HG2 GLU 72 HG2 GLU 72 5.467 16.845 1.799 573 HG3 GLU 72 HG1 GLU 72 5.214 15.774 0.419 574 H ASN 73 HN ASN 73 8.531 13.106 0.967 575 HA ASN 73 HA ASN 73 9.032 10.906 0.901 576 HB2 ASN 73 HB2 ASN 73 9.981 9.950 2.997 577 HB3 ASN 73 HB1 ASN 73 10.639 11.524 2.579 578 HD21 ASN 73 HD21 ASN 73 8.535 9.785 4.742 579 HD22 ASN 73 HD22 ASN 73 8.451 11.006 5.960 580 H ILE 74 HN ILE 74 6.369 11.245 0.755 581 HA ILE 74 HA ILE 74 5.301 9.051 2.408 582 HB ILE 74 HB ILE 74 3.960 11.573 1.453 583 HG12 ILE 74 HG12 ILE 74 3.994 10.402 4.221 584 HG13 ILE 74 HG11 ILE 74 5.342 11.362 3.627 585 HG21 ILE 74 HG21 ILE 74 2.636 9.138 2.648 586 HG22 ILE 74 HG22 ILE 74 2.418 9.743 1.004 587 HG23 ILE 74 HG23 ILE 74 1.858 10.697 2.379 588 HD11 ILE 74 HD11 ILE 74 2.491 12.265 3.902 589 HD12 ILE 74 HD12 ILE 74 3.818 13.228 3.250 590 HD13 ILE 74 HD13 ILE 74 3.851 12.710 4.935 591 H LEU 75 HN LEU 75 4.372 7.394 1.429 592 HA LEU 75 HA LEU 75 4.128 7.438 -1.496 593 HB2 LEU 75 HB2 LEU 75 5.603 5.718 -0.531 594 HB3 LEU 75 HB1 LEU 75 4.291 5.135 0.466 595 HG LEU 75 HG LEU 75 4.971 3.823 -1.664 596 HD11 LEU 75 HD11 LEU 75 2.656 3.093 -2.012 597 HD12 LEU 75 HD12 LEU 75 2.092 4.475 -1.070 598 HD13 LEU 75 HD13 LEU 75 3.071 3.225 -0.302 599 HD21 LEU 75 HD21 LEU 75 3.785 4.467 -3.682 600 HD22 LEU 75 HD22 LEU 75 4.917 5.728 -3.192 601 HD23 LEU 75 HD23 LEU 75 3.193 5.925 -2.885 602 H TYR 76 HN TYR 76 2.115 8.130 -1.995 603 HA TYR 76 HA TYR 76 -0.097 7.394 -0.255 604 HB2 TYR 76 HB2 TYR 76 -1.031 9.318 -0.945 605 HB3 TYR 76 HB1 TYR 76 0.489 9.664 -1.755 606 HD1 TYR 76 HD1 TYR 76 0.718 9.248 -4.167 607 HD2 TYR 76 HD2 TYR 76 -2.988 8.723 -2.161 608 HE1 TYR 76 HE1 TYR 76 -0.450 9.264 -6.329 609 HE2 TYR 76 HE2 TYR 76 -4.168 8.743 -4.313 610 HH TYR 76 HH TYR 76 -2.634 8.347 -7.244 611 H ILE 77 HN ILE 77 -1.874 6.183 -0.932 612 HA ILE 77 HA ILE 77 -1.236 4.337 -3.111 613 HB ILE 77 HB ILE 77 -3.215 4.113 -0.836 614 HG12 ILE 77 HG12 ILE 77 -0.862 3.823 -0.182 615 HG13 ILE 77 HG11 ILE 77 -1.755 2.313 -0.045 616 HG21 ILE 77 HG21 ILE 77 -3.645 1.839 -1.619 617 HG22 ILE 77 HG22 ILE 77 -2.608 2.123 -3.017 618 HG23 ILE 77 HG23 ILE 77 -4.102 3.039 -2.829 619 HD11 ILE 77 HD11 ILE 77 0.448 1.936 -0.967 620 HD12 ILE 77 HD12 ILE 77 0.118 3.069 -2.276 621 HD13 ILE 77 HD13 ILE 77 -0.792 1.562 -2.166 622 H ASN 78 HN ASN 78 -4.081 5.976 -1.774 623 HA ASN 78 HA ASN 78 -5.027 6.587 -4.452 624 HB2 ASN 78 HB2 ASN 78 -6.323 4.619 -2.640 625 HB3 ASN 78 HB1 ASN 78 -7.393 5.778 -3.414 626 HD21 ASN 78 HD21 ASN 78 -7.260 2.917 -3.790 627 HD22 ASN 78 HD22 ASN 78 -6.923 2.659 -5.467 628 H GLY 79 HN GLY 79 -7.290 7.814 -4.085 629 HA2 GLY 79 HA2 GLY 79 -6.634 10.090 -2.490 630 HA3 GLY 79 HA1 GLY 79 -8.142 9.828 -3.355 631 H LYS 80 HN LYS 80 -7.548 7.194 -1.442 632 HA LYS 80 HA LYS 80 -9.502 8.082 0.532 633 HB2 LYS 80 HB2 LYS 80 -8.329 5.318 0.203 634 HB3 LYS 80 HB1 LYS 80 -9.800 5.763 1.055 635 HG2 LYS 80 HG2 LYS 80 -9.383 5.981 -1.915 636 HG3 LYS 80 HG1 LYS 80 -10.235 4.670 -1.099 637 HD2 LYS 80 HD2 LYS 80 -11.823 6.361 -0.181 638 HD3 LYS 80 HD1 LYS 80 -11.021 7.583 -1.168 639 HE2 LYS 80 HE2 LYS 80 -11.599 6.330 -3.190 640 HE3 LYS 80 HE1 LYS 80 -12.388 5.099 -2.207 641 HZ1 LYS 80 HZ1 LYS 80 -13.873 6.928 -1.387 642 HZ2 LYS 80 HZ2 LYS 80 -14.077 6.515 -3.017 643 HZ3 LYS 80 HZ3 LYS 80 -13.222 7.915 -2.594 644 H LEU 81 HN LEU 81 -6.253 6.695 0.291 645 HA LEU 81 HA LEU 81 -5.551 7.882 2.812 646 HB2 LEU 81 HB2 LEU 81 -4.608 5.654 3.650 647 HB3 LEU 81 HB1 LEU 81 -6.318 5.970 3.837 648 HG LEU 81 HG LEU 81 -6.783 4.514 1.890 649 HD11 LEU 81 HD11 LEU 81 -4.620 4.813 0.738 650 HD12 LEU 81 HD12 LEU 81 -5.053 3.115 0.953 651 HD13 LEU 81 HD13 LEU 81 -3.842 3.858 2.000 652 HD21 LEU 81 HD21 LEU 81 -6.191 2.402 3.007 653 HD22 LEU 81 HD22 LEU 81 -6.885 3.593 4.108 654 HD23 LEU 81 HD23 LEU 81 -5.145 3.303 4.105 655 H SER 82 HN SER 82 -3.347 7.938 3.276 656 HA SER 82 HA SER 82 -1.581 7.146 1.070 657 HB2 SER 82 HB2 SER 82 -0.239 9.240 1.712 658 HB3 SER 82 HB1 SER 82 -1.756 9.498 0.851 659 HG SER 82 HG SER 82 -2.690 10.234 2.652 660 H ILE 83 HN ILE 83 0.526 6.472 1.686 661 HA ILE 83 HA ILE 83 0.674 5.658 4.509 662 HB ILE 83 HB ILE 83 2.060 4.467 2.100 663 HG12 ILE 83 HG12 ILE 83 -0.323 3.994 2.057 664 HG13 ILE 83 HG11 ILE 83 0.559 2.534 2.487 665 HG21 ILE 83 HG21 ILE 83 1.997 3.519 4.961 666 HG22 ILE 83 HG22 ILE 83 3.381 4.241 4.140 667 HG23 ILE 83 HG23 ILE 83 2.754 2.682 3.606 668 HD11 ILE 83 HD11 ILE 83 -0.015 2.892 4.838 669 HD12 ILE 83 HD12 ILE 83 -1.449 2.762 3.820 670 HD13 ILE 83 HD13 ILE 83 -0.913 4.342 4.390 671 HA PRO 84 HA PRO 84 4.124 8.547 4.483 672 HB2 PRO 84 HB2 PRO 84 4.184 8.979 7.133 673 HB3 PRO 84 HB1 PRO 84 2.968 9.722 6.092 674 HG2 PRO 84 HG2 PRO 84 2.721 7.393 7.931 675 HG3 PRO 84 HG1 PRO 84 1.538 8.657 7.553 676 HD2 PRO 84 HD2 PRO 84 1.572 6.092 6.467 677 HD3 PRO 84 HD1 PRO 84 0.707 7.484 5.792 678 H LEU 85 HN LEU 85 6.243 8.123 4.638 679 HA LEU 85 HA LEU 85 7.008 5.630 5.980 680 HB2 LEU 85 HB2 LEU 85 8.432 7.274 3.881 681 HB3 LEU 85 HB1 LEU 85 9.138 5.878 4.668 682 HG LEU 85 HG LEU 85 8.388 5.045 2.629 683 HD11 LEU 85 HD11 LEU 85 7.665 3.636 4.471 684 HD12 LEU 85 HD12 LEU 85 6.517 3.564 3.134 685 HD13 LEU 85 HD13 LEU 85 6.141 4.522 4.565 686 HD21 LEU 85 HD21 LEU 85 5.821 6.570 3.019 687 HD22 LEU 85 HD22 LEU 85 6.188 5.501 1.666 688 HD23 LEU 85 HD23 LEU 85 7.121 6.979 1.900 689 HA PRO 86 HA PRO 86 9.183 7.757 9.190 690 HB2 PRO 86 HB2 PRO 86 11.317 6.058 9.487 691 HB3 PRO 86 HB1 PRO 86 9.714 5.756 10.163 692 HG2 PRO 86 HG2 PRO 86 10.939 4.698 7.652 693 HG3 PRO 86 HG1 PRO 86 9.965 3.845 8.865 694 HD2 PRO 86 HD2 PRO 86 8.911 4.660 6.539 695 HD3 PRO 86 HD1 PRO 86 7.975 4.710 8.049 696 H ARG 87 HN ARG 87 10.799 9.249 9.365 697 HA ARG 87 HA ARG 87 12.100 9.959 6.895 698 HB2 ARG 87 HB2 ARG 87 11.894 11.258 9.594 699 HB3 ARG 87 HB1 ARG 87 13.040 11.855 8.404 700 HG2 ARG 87 HG2 ARG 87 11.090 13.186 8.236 701 HG3 ARG 87 HG1 ARG 87 11.116 12.132 6.823 702 HD2 ARG 87 HD2 ARG 87 9.528 10.624 7.956 703 HD3 ARG 87 HD1 ARG 87 9.475 11.737 9.322 704 HE ARG 87 HE ARG 87 8.854 13.167 6.997 705 HH11 ARG 87 HH11 ARG 87 7.466 10.660 9.014 706 HH12 ARG 87 HH12 ARG 87 5.829 11.064 8.598 707 HH21 ARG 87 HH21 ARG 87 6.709 13.691 6.454 708 HH22 ARG 87 HH22 ARG 87 5.400 12.785 7.146 709 H ASP 88 HN ASP 88 12.902 7.845 9.302 710 HA ASP 88 HA ASP 88 15.743 8.413 9.285 711 HB2 ASP 88 HB2 ASP 88 15.801 6.418 10.817 712 HB3 ASP 88 HB1 ASP 88 14.895 7.791 11.416 713 H ILE 89 HN ILE 89 13.730 7.022 7.177 714 HA ILE 89 HA ILE 89 15.715 4.999 6.364 715 HB ILE 89 HB ILE 89 12.711 4.897 6.008 716 HG12 ILE 89 HG12 ILE 89 14.619 3.190 7.626 717 HG13 ILE 89 HG11 ILE 89 13.439 4.326 8.269 718 HG21 ILE 89 HG21 ILE 89 13.069 2.705 4.969 719 HG22 ILE 89 HG22 ILE 89 14.813 2.941 5.068 720 HG23 ILE 89 HG23 ILE 89 13.838 3.992 4.041 721 HD11 ILE 89 HD11 ILE 89 12.842 1.783 6.776 722 HD12 ILE 89 HD12 ILE 89 11.637 2.936 7.347 723 HD13 ILE 89 HD13 ILE 89 12.641 2.067 8.505 724 H VAL 90 HN VAL 90 16.412 5.058 4.284 725 HA VAL 90 HA VAL 90 15.639 7.328 2.645 726 HB VAL 90 HB VAL 90 17.653 5.138 2.074 727 HG11 VAL 90 HG11 VAL 90 17.226 7.816 0.752 728 HG12 VAL 90 HG12 VAL 90 16.861 6.239 0.053 729 HG13 VAL 90 HG13 VAL 90 18.533 6.689 0.393 730 HG21 VAL 90 HG21 VAL 90 18.279 6.397 4.056 731 HG22 VAL 90 HG22 VAL 90 18.063 7.914 3.184 732 HG23 VAL 90 HG23 VAL 90 19.347 6.800 2.712 733 H VAL 91 HN VAL 91 14.156 7.221 1.067 734 HA VAL 91 HA VAL 91 13.333 4.546 0.138 735 HB VAL 91 HB VAL 91 11.474 6.848 0.767 736 HG11 VAL 91 HG11 VAL 91 10.693 5.471 -1.076 737 HG12 VAL 91 HG12 VAL 91 9.683 5.250 0.353 738 HG13 VAL 91 HG13 VAL 91 10.875 4.025 -0.085 739 HG21 VAL 91 HG21 VAL 91 12.347 5.877 2.813 740 HG22 VAL 91 HG22 VAL 91 11.914 4.263 2.252 741 HG23 VAL 91 HG23 VAL 91 10.651 5.443 2.602 742 H ASN 92 HN ASN 92 13.224 4.297 -1.952 743 HA ASN 92 HA ASN 92 12.726 6.573 -3.716 744 HB2 ASN 92 HB2 ASN 92 14.540 5.166 -5.193 745 HB3 ASN 92 HB1 ASN 92 14.914 6.624 -4.289 746 HD21 ASN 92 HD21 ASN 92 14.780 3.115 -3.996 747 HD22 ASN 92 HD22 ASN 92 16.129 2.980 -2.922 748 H ALA 93 HN ALA 93 12.201 5.841 -5.933 749 HA ALA 93 HA ALA 93 10.101 3.963 -5.789 750 HB1 ALA 93 HB1 ALA 93 9.794 4.418 -8.156 751 HB2 ALA 93 HB2 ALA 93 11.371 5.203 -8.221 752 HB3 ALA 93 HB3 ALA 93 10.072 5.911 -7.258 753 H ALA 94 HN ALA 94 13.405 3.519 -6.305 754 HA ALA 94 HA ALA 94 13.105 1.047 -7.824 755 HB1 ALA 94 HB1 ALA 94 15.567 2.351 -6.678 756 HB2 ALA 94 HB2 ALA 94 14.978 2.526 -8.331 757 HB3 ALA 94 HB3 ALA 94 15.544 0.958 -7.759 758 H ASP 95 HN ASP 95 12.943 1.999 -4.644 759 HA ASP 95 HA ASP 95 13.820 -0.634 -3.645 760 HB2 ASP 95 HB2 ASP 95 14.887 1.589 -2.807 761 HB3 ASP 95 HB1 ASP 95 13.390 1.780 -1.905 762 H ILE 96 HN ILE 96 11.255 1.639 -3.928 763 HA ILE 96 HA ILE 96 9.428 0.443 -2.098 764 HB ILE 96 HB ILE 96 8.977 2.243 -4.481 765 HG12 ILE 96 HG12 ILE 96 8.893 2.978 -1.563 766 HG13 ILE 96 HG11 ILE 96 10.366 3.087 -2.524 767 HG21 ILE 96 HG21 ILE 96 7.080 1.567 -2.227 768 HG22 ILE 96 HG22 ILE 96 6.956 0.964 -3.878 769 HG23 ILE 96 HG23 ILE 96 6.768 2.686 -3.555 770 HD11 ILE 96 HD11 ILE 96 7.791 4.503 -3.149 771 HD12 ILE 96 HD12 ILE 96 9.322 4.662 -4.011 772 HD13 ILE 96 HD13 ILE 96 9.183 5.226 -2.346 773 H LYS 97 HN LYS 97 8.598 -1.516 -2.342 774 HA LYS 97 HA LYS 97 8.089 -2.528 -5.065 775 HB2 LYS 97 HB2 LYS 97 8.292 -4.202 -2.566 776 HB3 LYS 97 HB1 LYS 97 8.407 -4.733 -4.231 777 HG2 LYS 97 HG2 LYS 97 10.431 -3.096 -2.725 778 HG3 LYS 97 HG1 LYS 97 10.580 -4.786 -3.204 779 HD2 LYS 97 HD2 LYS 97 10.257 -2.507 -5.154 780 HD3 LYS 97 HD1 LYS 97 11.816 -3.165 -4.663 781 HE2 LYS 97 HE2 LYS 97 9.614 -4.776 -5.943 782 HE3 LYS 97 HE1 LYS 97 10.965 -4.066 -6.821 783 HZ1 LYS 97 HZ1 LYS 97 12.456 -5.368 -5.354 784 HZ2 LYS 97 HZ2 LYS 97 11.488 -6.318 -6.359 785 HZ3 LYS 97 HZ3 LYS 97 11.096 -6.156 -4.719 786 H ILE 98 HN ILE 98 5.996 -1.979 -5.491 787 HA ILE 98 HA ILE 98 3.990 -2.441 -3.402 788 HB ILE 98 HB ILE 98 3.723 -0.928 -6.005 789 HG12 ILE 98 HG12 ILE 98 4.064 0.006 -3.150 790 HG13 ILE 98 HG11 ILE 98 5.178 0.257 -4.488 791 HG21 ILE 98 HG21 ILE 98 1.591 -0.137 -5.075 792 HG22 ILE 98 HG22 ILE 98 1.807 -1.214 -3.695 793 HG23 ILE 98 HG23 ILE 98 1.606 -1.883 -5.313 794 HD11 ILE 98 HD11 ILE 98 2.469 1.489 -4.103 795 HD12 ILE 98 HD12 ILE 98 3.388 1.597 -5.601 796 HD13 ILE 98 HD13 ILE 98 4.037 2.297 -4.118 797 H PHE 99 HN PHE 99 2.749 -4.161 -3.471 798 HA PHE 99 HA PHE 99 2.175 -5.467 -6.042 799 HB2 PHE 99 HB2 PHE 99 3.143 -6.762 -3.494 800 HB3 PHE 99 HB1 PHE 99 2.310 -7.666 -4.748 801 HD1 PHE 99 HD2 PHE 99 5.364 -5.743 -3.970 802 HD2 PHE 99 HD1 PHE 99 3.419 -8.357 -6.704 803 HE1 PHE 99 HE2 PHE 99 7.502 -6.124 -5.130 804 HE2 PHE 99 HE1 PHE 99 5.552 -8.743 -7.862 805 HZ PHE 99 HZ PHE 99 7.597 -7.624 -7.075 806 H HIS 100 HN HIS 100 0.027 -5.513 -6.306 807 HA HIS 100 HA HIS 100 -1.669 -5.466 -3.911 808 HB2 HIS 100 HB2 HIS 100 -2.185 -3.667 -5.428 809 HB3 HIS 100 HB1 HIS 100 -2.288 -4.776 -6.787 810 HD1 HIS 100 HD1 HIS 100 -4.641 -5.149 -7.465 811 HD2 HIS 100 HD2 HIS 100 -4.280 -4.582 -3.352 812 HE1 HIS 100 HE1 HIS 100 -6.961 -5.398 -6.534 813 HE2 HIS 100 HE2 HIS 100 -6.747 -4.853 -4.083 814 H ILE 101 HN ILE 101 -2.118 -7.454 -3.240 815 HA ILE 101 HA ILE 101 -2.596 -9.580 -5.154 816 HB ILE 101 HB ILE 101 -2.703 -9.595 -2.135 817 HG12 ILE 101 HG12 ILE 101 -0.658 -10.625 -4.112 818 HG13 ILE 101 HG11 ILE 101 -0.454 -9.276 -2.997 819 HG21 ILE 101 HG21 ILE 101 -2.907 -11.988 -2.250 820 HG22 ILE 101 HG22 ILE 101 -2.794 -11.956 -4.006 821 HG23 ILE 101 HG23 ILE 101 -4.206 -11.274 -3.206 822 HD11 ILE 101 HD11 ILE 101 -0.774 -12.174 -2.285 823 HD12 ILE 101 HD12 ILE 101 -0.720 -10.850 -1.122 824 HD13 ILE 101 HD13 ILE 101 0.684 -11.191 -2.138 825 H ARG 102 HN ARG 102 -4.454 -9.347 -6.186 826 HA ARG 102 HA ARG 102 -6.817 -8.281 -5.023 827 HB2 ARG 102 HB2 ARG 102 -7.903 -9.123 -7.135 828 HB3 ARG 102 HB1 ARG 102 -6.543 -8.038 -7.375 829 HG2 ARG 102 HG2 ARG 102 -6.117 -9.650 -8.945 830 HG3 ARG 102 HG1 ARG 102 -5.173 -10.248 -7.582 831 HD2 ARG 102 HD2 ARG 102 -7.197 -11.652 -6.981 832 HD3 ARG 102 HD1 ARG 102 -7.853 -11.212 -8.556 833 HE ARG 102 HE ARG 102 -5.428 -12.825 -8.078 834 HH11 ARG 102 HH11 ARG 102 -7.995 -11.742 -10.208 835 HH12 ARG 102 HH12 ARG 102 -7.579 -12.848 -11.472 836 HH21 ARG 102 HH21 ARG 102 -4.879 -14.273 -9.732 837 HH22 ARG 102 HH22 ARG 102 -5.814 -14.299 -11.200 838 H LYS 103 HN LYS 103 -5.360 -11.337 -4.925 839 HA LYS 103 HA LYS 103 -7.632 -13.006 -4.712 840 HB2 LYS 103 HB2 LYS 103 -5.345 -13.824 -5.179 841 HB3 LYS 103 HB1 LYS 103 -4.868 -13.379 -3.547 842 HG2 LYS 103 HG2 LYS 103 -6.782 -14.941 -2.810 843 HG3 LYS 103 HG1 LYS 103 -6.665 -15.582 -4.450 844 HD2 LYS 103 HD2 LYS 103 -4.298 -16.067 -4.093 845 HD3 LYS 103 HD1 LYS 103 -4.408 -15.412 -2.458 846 HE2 LYS 103 HE2 LYS 103 -5.702 -17.883 -3.569 847 HE3 LYS 103 HE1 LYS 103 -4.561 -17.753 -2.232 848 HZ1 LYS 103 HZ1 LYS 103 -7.399 -16.908 -2.275 849 HZ2 LYS 103 HZ2 LYS 103 -6.327 -16.423 -1.062 850 HZ3 LYS 103 HZ3 LYS 103 -6.679 -18.067 -1.275 851 H GLU 104 HN GLU 104 -5.558 -11.484 -2.262 852 HA GLU 104 HA GLU 104 -7.451 -12.294 -0.173 853 HB2 GLU 104 HB2 GLU 104 -4.703 -11.076 0.160 854 HB3 GLU 104 HB1 GLU 104 -5.686 -11.816 1.413 855 HG2 GLU 104 HG2 GLU 104 -4.514 -13.260 -0.954 856 HG3 GLU 104 HG1 GLU 104 -3.837 -13.247 0.672 857 H ARG 105 HN ARG 105 -7.201 -9.888 -2.220 858 HA ARG 105 HA ARG 105 -7.675 -7.677 -2.340 859 HB2 ARG 105 HB2 ARG 105 -9.255 -8.435 0.114 860 HB3 ARG 105 HB1 ARG 105 -9.295 -6.813 -0.561 861 HG2 ARG 105 HG2 ARG 105 -11.166 -7.861 -1.454 862 HG3 ARG 105 HG1 ARG 105 -9.967 -7.921 -2.744 863 HD2 ARG 105 HD2 ARG 105 -9.432 -10.229 -2.144 864 HD3 ARG 105 HD1 ARG 105 -10.626 -10.170 -0.848 865 HE ARG 105 HE ARG 105 -11.896 -9.487 -3.245 866 HH11 ARG 105 HH11 ARG 105 -10.371 -12.272 -1.767 867 HH12 ARG 105 HH12 ARG 105 -11.369 -13.416 -2.602 868 HH21 ARG 105 HH21 ARG 105 -13.207 -11.002 -4.345 869 HH22 ARG 105 HH22 ARG 105 -12.977 -12.698 -4.065 870 H THR 106 HN THR 106 -5.191 -8.278 -1.223 871 HA THR 106 HA THR 106 -4.940 -6.196 0.841 872 HB THR 106 HB THR 106 -3.395 -8.792 0.768 873 HG1 THR 106 HG1 THR 106 -5.762 -8.723 1.457 874 HG21 THR 106 HG21 THR 106 -2.628 -8.080 3.009 875 HG22 THR 106 HG22 THR 106 -3.442 -6.534 2.774 876 HG23 THR 106 HG23 THR 106 -2.095 -6.987 1.733 877 H LEU 107 HN LEU 107 -3.476 -4.690 0.460 878 HA LEU 107 HA LEU 107 -1.726 -4.986 -1.863 879 HB2 LEU 107 HB2 LEU 107 -3.353 -2.932 -1.046 880 HB3 LEU 107 HB1 LEU 107 -1.792 -2.412 -0.446 881 HG LEU 107 HG LEU 107 -2.455 -3.058 -3.321 882 HD11 LEU 107 HD11 LEU 107 -3.464 -0.983 -2.567 883 HD12 LEU 107 HD12 LEU 107 -2.127 -0.656 -3.671 884 HD13 LEU 107 HD13 LEU 107 -1.911 -0.439 -1.934 885 HD21 LEU 107 HD21 LEU 107 0.091 -2.011 -2.095 886 HD22 LEU 107 HD22 LEU 107 -0.235 -2.177 -3.821 887 HD23 LEU 107 HD23 LEU 107 -0.142 -3.612 -2.799 888 H TYR 108 HN TYR 108 0.296 -5.592 -1.499 889 HA TYR 108 HA TYR 108 1.470 -5.235 1.151 890 HB2 TYR 108 HB2 TYR 108 2.328 -6.880 -1.234 891 HB3 TYR 108 HB1 TYR 108 3.248 -6.765 0.262 892 HD1 TYR 108 HD1 TYR 108 -0.239 -7.528 -0.842 893 HD2 TYR 108 HD2 TYR 108 2.955 -8.450 1.806 894 HE1 TYR 108 HE1 TYR 108 -1.561 -9.359 0.099 895 HE2 TYR 108 HE2 TYR 108 1.636 -10.292 2.760 896 HH TYR 108 HH TYR 108 -0.843 -10.874 2.982 897 H ILE 109 HN ILE 109 2.831 -3.664 1.557 898 HA ILE 109 HA ILE 109 4.319 -2.415 -0.663 899 HB ILE 109 HB ILE 109 3.634 -1.216 2.021 900 HG12 ILE 109 HG12 ILE 109 1.619 -1.496 0.654 901 HG13 ILE 109 HG11 ILE 109 2.036 0.204 0.823 902 HG21 ILE 109 HG21 ILE 109 4.827 0.067 -0.427 903 HG22 ILE 109 HG22 ILE 109 5.696 -0.344 1.052 904 HG23 ILE 109 HG23 ILE 109 4.429 0.882 1.088 905 HD11 ILE 109 HD11 ILE 109 3.013 0.182 -1.411 906 HD12 ILE 109 HD12 ILE 109 1.318 -0.307 -1.431 907 HD13 ILE 109 HD13 ILE 109 2.588 -1.521 -1.576 908 H TYR 110 HN TYR 110 6.388 -3.076 -0.675 909 HA TYR 110 HA TYR 110 7.725 -3.469 1.925 910 HB2 TYR 110 HB2 TYR 110 8.426 -4.708 -0.741 911 HB3 TYR 110 HB1 TYR 110 9.291 -4.965 0.763 912 HD1 TYR 110 HD2 TYR 110 6.211 -5.707 -1.098 913 HD2 TYR 110 HD1 TYR 110 8.442 -6.456 2.446 914 HE1 TYR 110 HE2 TYR 110 4.786 -7.651 -0.615 915 HE2 TYR 110 HE1 TYR 110 7.024 -8.401 2.935 916 HH TYR 110 HH TYR 110 4.956 -9.355 2.412 917 H ILE 111 HN ILE 111 9.257 -2.029 2.394 918 HA ILE 111 HA ILE 111 10.713 -0.760 0.177 919 HB ILE 111 HB ILE 111 9.745 0.707 2.644 920 HG12 ILE 111 HG12 ILE 111 8.888 0.959 -0.250 921 HG13 ILE 111 HG11 ILE 111 7.930 0.245 1.040 922 HG21 ILE 111 HG21 ILE 111 11.911 1.510 1.876 923 HG22 ILE 111 HG22 ILE 111 10.658 2.704 1.531 924 HG23 ILE 111 HG23 ILE 111 11.286 1.682 0.235 925 HD11 ILE 111 HD11 ILE 111 7.177 2.483 0.550 926 HD12 ILE 111 HD12 ILE 111 8.796 3.118 0.844 927 HD13 ILE 111 HD13 ILE 111 7.870 2.415 2.169 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 10.810 19.175 1.436 2 H2 GLY 1 HT2 GLY 1 12.198 20.130 1.567 3 H3 GLY 1 HT3 GLY 1 11.842 18.989 2.762 4 HA2 GLY 1 HA1 GLY 1 13.598 18.173 1.339 5 HA3 GLY 1 HA2 GLY 1 12.146 17.192 1.177 6 HA PRO 2 HA PRO 2 13.739 18.781 -3.023 7 HB2 PRO 2 HB2 PRO 2 13.816 16.249 -4.128 8 HB3 PRO 2 HB1 PRO 2 15.214 17.093 -3.456 9 HG2 PRO 2 HG2 PRO 2 13.488 14.997 -2.216 10 HG3 PRO 2 HG1 PRO 2 15.245 15.215 -2.107 11 HD2 PRO 2 HD2 PRO 2 13.594 15.932 -0.105 12 HD3 PRO 2 HD1 PRO 2 15.062 16.857 -0.484 13 H HIS 3 HN HIS 3 12.066 19.513 -4.165 14 HA HIS 3 HA HIS 3 9.469 18.325 -3.844 15 HB2 HIS 3 HB2 HIS 3 10.390 20.719 -5.439 16 HB3 HIS 3 HB1 HIS 3 8.709 20.212 -5.303 17 HD1 HIS 3 HD1 HIS 3 11.299 22.155 -3.597 18 HD2 HIS 3 HD2 HIS 3 7.675 20.381 -2.598 19 HE1 HIS 3 HE1 HIS 3 10.642 23.155 -1.384 20 HE2 HIS 3 HE2 HIS 3 8.371 22.191 -0.889 21 H MET 4 HN MET 4 10.449 16.326 -4.810 22 HA MET 4 HA MET 4 9.614 16.216 -7.622 23 HB2 MET 4 HB2 MET 4 12.068 16.113 -7.550 24 HB3 MET 4 HB1 MET 4 11.986 14.796 -6.391 25 HG2 MET 4 HG2 MET 4 10.907 13.386 -8.071 26 HG3 MET 4 HG1 MET 4 10.998 14.708 -9.233 27 HE1 MET 4 HE1 MET 4 13.698 13.671 -6.547 28 HE2 MET 4 HE2 MET 4 14.683 12.548 -7.481 29 HE3 MET 4 HE3 MET 4 13.018 12.134 -7.080 30 H SER 5 HN SER 5 8.277 14.525 -8.070 31 HA SER 5 HA SER 5 7.918 12.482 -5.997 32 HB2 SER 5 HB2 SER 5 5.521 13.657 -7.382 33 HB3 SER 5 HB1 SER 5 5.606 12.794 -5.844 34 HG SER 5 HG SER 5 6.739 15.358 -6.301 35 H VAL 6 HN VAL 6 7.279 10.463 -6.777 36 HA VAL 6 HA VAL 6 7.191 10.195 -9.708 37 HB VAL 6 HB VAL 6 8.570 8.122 -9.499 38 HG11 VAL 6 HG11 VAL 6 9.571 10.204 -10.260 39 HG12 VAL 6 HG12 VAL 6 10.720 9.279 -9.292 40 HG13 VAL 6 HG13 VAL 6 9.898 10.674 -8.592 41 HG21 VAL 6 HG21 VAL 6 8.962 9.132 -6.687 42 HG22 VAL 6 HG22 VAL 6 9.984 7.919 -7.452 43 HG23 VAL 6 HG23 VAL 6 8.273 7.587 -7.184 44 H GLN 7 HN GLN 7 5.967 8.492 -10.498 45 HA GLN 7 HA GLN 7 3.994 7.478 -8.620 46 HB2 GLN 7 HB2 GLN 7 2.660 6.895 -10.501 47 HB3 GLN 7 HB1 GLN 7 3.337 8.478 -10.841 48 HG2 GLN 7 HG2 GLN 7 4.373 5.876 -11.939 49 HG3 GLN 7 HG1 GLN 7 3.310 6.986 -12.796 50 HE21 GLN 7 HE21 GLN 7 6.525 6.362 -11.696 51 HE22 GLN 7 HE22 GLN 7 7.299 7.630 -12.586 52 H ILE 8 HN ILE 8 3.772 5.362 -8.035 53 HA ILE 8 HA ILE 8 5.962 3.603 -8.917 54 HB ILE 8 HB ILE 8 4.233 3.023 -6.536 55 HG12 ILE 8 HG12 ILE 8 5.042 5.306 -6.181 56 HG13 ILE 8 HG11 ILE 8 5.857 4.189 -5.096 57 HG21 ILE 8 HG21 ILE 8 5.733 1.284 -7.385 58 HG22 ILE 8 HG22 ILE 8 6.214 1.822 -5.776 59 HG23 ILE 8 HG23 ILE 8 7.107 2.376 -7.193 60 HD11 ILE 8 HD11 ILE 8 6.990 5.342 -7.632 61 HD12 ILE 8 HD12 ILE 8 7.810 4.204 -6.563 62 HD13 ILE 8 HD13 ILE 8 7.403 5.819 -5.986 63 HA PRO 9 HA PRO 9 2.733 1.312 -11.018 64 HB2 PRO 9 HB2 PRO 9 4.347 -0.577 -12.100 65 HB3 PRO 9 HB1 PRO 9 4.207 1.056 -12.758 66 HG2 PRO 9 HG2 PRO 9 6.334 -0.109 -11.017 67 HG3 PRO 9 HG1 PRO 9 6.492 0.998 -12.392 68 HD2 PRO 9 HD2 PRO 9 6.600 1.802 -9.781 69 HD3 PRO 9 HD1 PRO 9 6.054 2.847 -11.107 70 H VAL 10 HN VAL 10 1.446 -0.185 -10.192 71 HA VAL 10 HA VAL 10 2.381 -1.870 -8.022 72 HB VAL 10 HB VAL 10 -0.386 -1.691 -9.229 73 HG11 VAL 10 HG11 VAL 10 -0.065 -3.741 -8.003 74 HG12 VAL 10 HG12 VAL 10 -1.108 -2.660 -7.080 75 HG13 VAL 10 HG13 VAL 10 0.585 -2.856 -6.624 76 HG21 VAL 10 HG21 VAL 10 0.279 0.472 -8.363 77 HG22 VAL 10 HG22 VAL 10 0.752 -0.267 -6.834 78 HG23 VAL 10 HG23 VAL 10 -0.942 -0.258 -7.320 79 H VAL 11 HN VAL 11 2.834 -3.991 -8.190 80 HA VAL 11 HA VAL 11 2.251 -5.337 -10.728 81 HB VAL 11 HB VAL 11 3.949 -6.248 -8.392 82 HG11 VAL 11 HG11 VAL 11 2.960 -8.115 -9.609 83 HG12 VAL 11 HG12 VAL 11 4.702 -8.032 -9.882 84 HG13 VAL 11 HG13 VAL 11 3.586 -7.468 -11.125 85 HG21 VAL 11 HG21 VAL 11 5.852 -5.827 -9.876 86 HG22 VAL 11 HG22 VAL 11 4.935 -4.353 -9.569 87 HG23 VAL 11 HG23 VAL 11 4.755 -5.200 -11.105 88 H GLU 12 HN GLU 12 0.457 -6.550 -10.844 89 HA GLU 12 HA GLU 12 -0.827 -7.320 -8.344 90 HB2 GLU 12 HB2 GLU 12 -1.833 -7.309 -11.182 91 HB3 GLU 12 HB1 GLU 12 -2.745 -7.989 -9.839 92 HG2 GLU 12 HG2 GLU 12 -2.430 -5.700 -8.732 93 HG3 GLU 12 HG1 GLU 12 -1.986 -5.143 -10.342 94 H VAL 13 HN VAL 13 -0.347 -9.126 -7.513 95 HA VAL 13 HA VAL 13 0.126 -11.481 -9.211 96 HB VAL 13 HB VAL 13 1.792 -12.202 -7.415 97 HG11 VAL 13 HG11 VAL 13 3.631 -10.903 -8.413 98 HG12 VAL 13 HG12 VAL 13 2.441 -9.839 -9.161 99 HG13 VAL 13 HG13 VAL 13 2.514 -11.537 -9.621 100 HG21 VAL 13 HG21 VAL 13 1.713 -9.253 -6.775 101 HG22 VAL 13 HG22 VAL 13 2.864 -10.425 -6.129 102 HG23 VAL 13 HG23 VAL 13 1.153 -10.552 -5.720 103 H ASP 14 HN ASP 14 0.033 -13.528 -7.834 104 HA ASP 14 HA ASP 14 -2.370 -13.401 -6.185 105 HB2 ASP 14 HB2 ASP 14 -0.827 -15.706 -7.389 106 HB3 ASP 14 HB1 ASP 14 -2.170 -15.937 -6.275 107 H GLU 15 HN GLU 15 0.999 -13.675 -5.978 108 HA GLU 15 HA GLU 15 1.024 -13.446 -3.155 109 HB2 GLU 15 HB2 GLU 15 2.187 -15.530 -2.623 110 HB3 GLU 15 HB1 GLU 15 0.600 -15.863 -3.301 111 HG2 GLU 15 HG2 GLU 15 1.580 -16.413 -5.433 112 HG3 GLU 15 HG1 GLU 15 3.181 -15.976 -4.833 113 H LEU 16 HN LEU 16 3.210 -13.083 -2.377 114 HA LEU 16 HA LEU 16 4.838 -11.844 -4.390 115 HB2 LEU 16 HB2 LEU 16 5.444 -12.254 -1.461 116 HB3 LEU 16 HB1 LEU 16 6.284 -11.172 -2.549 117 HG LEU 16 HG LEU 16 4.974 -9.644 -1.542 118 HD11 LEU 16 HD11 LEU 16 4.263 -9.643 -3.876 119 HD12 LEU 16 HD12 LEU 16 2.974 -9.124 -2.789 120 HD13 LEU 16 HD13 LEU 16 2.953 -10.753 -3.466 121 HD21 LEU 16 HD21 LEU 16 2.743 -10.126 -0.585 122 HD22 LEU 16 HD22 LEU 16 4.050 -11.091 0.100 123 HD23 LEU 16 HD23 LEU 16 2.949 -11.806 -1.079 124 HA PRO 17 HA PRO 17 7.602 -15.206 -5.144 125 HB2 PRO 17 HB2 PRO 17 9.895 -13.819 -5.679 126 HB3 PRO 17 HB1 PRO 17 8.570 -14.005 -6.831 127 HG2 PRO 17 HG2 PRO 17 9.266 -11.691 -5.089 128 HG3 PRO 17 HG1 PRO 17 8.635 -11.702 -6.745 129 HD2 PRO 17 HD2 PRO 17 7.096 -11.193 -4.552 130 HD3 PRO 17 HD1 PRO 17 6.462 -11.908 -6.043 131 H GLU 18 HN GLU 18 9.853 -15.970 -4.453 132 HA GLU 18 HA GLU 18 9.796 -16.165 -1.646 133 HB2 GLU 18 HB2 GLU 18 11.942 -16.971 -3.609 134 HB3 GLU 18 HB1 GLU 18 11.892 -17.456 -1.917 135 HG2 GLU 18 HG2 GLU 18 9.829 -18.636 -2.262 136 HG3 GLU 18 HG1 GLU 18 9.730 -18.054 -3.922 137 H GLY 19 HN GLY 19 10.945 -15.235 -0.056 138 HA2 GLY 19 HA2 GLY 19 12.838 -13.917 0.714 139 HA3 GLY 19 HA1 GLY 19 12.795 -13.067 -0.826 140 H TYR 20 HN TYR 20 9.734 -13.177 -0.506 141 HA TYR 20 HA TYR 20 9.547 -10.704 1.028 142 HB2 TYR 20 HB2 TYR 20 7.737 -12.062 -0.943 143 HB3 TYR 20 HB1 TYR 20 7.136 -10.782 0.101 144 HD1 TYR 20 HD2 TYR 20 8.123 -8.505 -0.063 145 HD2 TYR 20 HD1 TYR 20 9.045 -11.567 -2.863 146 HE1 TYR 20 HE2 TYR 20 8.930 -6.805 -1.639 147 HE2 TYR 20 HE1 TYR 20 9.858 -9.875 -4.451 148 HH TYR 20 HH TYR 20 10.545 -6.722 -3.570 149 H ASP 21 HN ASP 21 8.137 -10.400 2.717 150 HA ASP 21 HA ASP 21 7.337 -12.861 4.096 151 HB2 ASP 21 HB2 ASP 21 8.845 -11.276 5.289 152 HB3 ASP 21 HB1 ASP 21 7.579 -10.056 5.205 153 H ARG 22 HN ARG 22 5.381 -13.338 3.228 154 HA ARG 22 HA ARG 22 3.367 -11.257 2.995 155 HB2 ARG 22 HB2 ARG 22 3.517 -12.730 1.109 156 HB3 ARG 22 HB1 ARG 22 3.417 -14.150 2.139 157 HG2 ARG 22 HG2 ARG 22 1.149 -13.893 2.501 158 HG3 ARG 22 HG1 ARG 22 1.172 -12.182 2.078 159 HD2 ARG 22 HD2 ARG 22 1.484 -12.704 -0.237 160 HD3 ARG 22 HD1 ARG 22 1.652 -14.421 0.116 161 HE ARG 22 HE ARG 22 -0.842 -12.951 0.676 162 HH11 ARG 22 HH11 ARG 22 0.837 -15.669 -0.768 163 HH12 ARG 22 HH12 ARG 22 -0.617 -16.427 -1.335 164 HH21 ARG 22 HH21 ARG 22 -2.754 -13.970 -0.036 165 HH22 ARG 22 HH22 ARG 22 -2.657 -15.469 -0.909 166 H SER 23 HN SER 23 1.425 -11.261 4.065 167 HA SER 23 HA SER 23 0.913 -13.298 6.068 168 HB2 SER 23 HB2 SER 23 1.001 -10.332 6.693 169 HB3 SER 23 HB1 SER 23 0.491 -11.602 7.805 170 HG SER 23 HG SER 23 2.782 -12.432 7.054 171 H2 PRO 24 HT1 PRO 24 -20.121 17.903 2.513 172 H3 PRO 24 HT2 PRO 24 -18.597 17.416 2.840 173 HA PRO 24 HA PRO 24 -18.777 17.660 4.952 174 HB2 PRO 24 HB2 PRO 24 -20.655 19.731 5.433 175 HB3 PRO 24 HB1 PRO 24 -18.902 19.788 5.669 176 HG2 PRO 24 HG2 PRO 24 -20.528 20.691 3.356 177 HG3 PRO 24 HG1 PRO 24 -18.991 21.326 3.968 178 HD2 PRO 24 HD2 PRO 24 -19.055 19.890 1.728 179 HD3 PRO 24 HD1 PRO 24 -17.739 19.672 2.892 180 H HIS 25 HN HIS 25 -20.168 16.679 6.394 181 HA HIS 25 HA HIS 25 -21.945 15.518 7.176 182 HB2 HIS 25 HB2 HIS 25 -23.460 17.309 5.290 183 HB3 HIS 25 HB1 HIS 25 -24.263 16.051 6.222 184 HD1 HIS 25 HD1 HIS 25 -23.138 19.501 6.423 185 HD2 HIS 25 HD2 HIS 25 -23.981 16.448 9.110 186 HE1 HIS 25 HE1 HIS 25 -23.435 20.628 8.650 187 HE2 HIS 25 HE2 HIS 25 -23.755 18.738 10.289 188 H GLU 26 HN GLU 26 -22.245 15.836 3.642 189 HA GLU 26 HA GLU 26 -23.388 13.337 3.156 190 HB2 GLU 26 HB2 GLU 26 -23.291 15.116 1.479 191 HB3 GLU 26 HB1 GLU 26 -21.543 14.970 1.404 192 HG2 GLU 26 HG2 GLU 26 -22.511 13.883 -0.494 193 HG3 GLU 26 HG1 GLU 26 -21.795 12.671 0.565 194 H GLN 27 HN GLN 27 -22.618 11.377 3.504 195 HA GLN 27 HA GLN 27 -19.758 10.879 3.099 196 HB2 GLN 27 HB2 GLN 27 -19.839 9.258 4.963 197 HB3 GLN 27 HB1 GLN 27 -20.123 10.905 5.494 198 HG2 GLN 27 HG2 GLN 27 -22.507 10.472 5.620 199 HG3 GLN 27 HG1 GLN 27 -22.254 8.833 5.022 200 HE21 GLN 27 HE21 GLN 27 -20.083 10.399 7.262 201 HE22 GLN 27 HE22 GLN 27 -20.462 9.402 8.622 202 H GLN 28 HN GLN 28 -19.260 8.836 2.263 203 HA GLN 28 HA GLN 28 -21.376 7.754 0.620 204 HB2 GLN 28 HB2 GLN 28 -18.417 7.214 0.783 205 HB3 GLN 28 HB1 GLN 28 -19.489 6.247 -0.218 206 HG2 GLN 28 HG2 GLN 28 -18.539 7.842 -1.645 207 HG3 GLN 28 HG1 GLN 28 -20.185 8.384 -1.341 208 HE21 GLN 28 HE21 GLN 28 -17.531 8.728 0.933 209 HE22 GLN 28 HE22 GLN 28 -17.447 10.454 0.853 210 H GLU 29 HN GLU 29 -21.864 5.531 0.480 211 HA GLU 29 HA GLU 29 -21.702 4.184 3.087 212 HB2 GLU 29 HB2 GLU 29 -23.670 2.941 2.443 213 HB3 GLU 29 HB1 GLU 29 -23.980 4.651 2.190 214 HG2 GLU 29 HG2 GLU 29 -23.190 2.729 0.013 215 HG3 GLU 29 HG1 GLU 29 -24.850 3.173 0.398 216 H ASP 30 HN ASP 30 -21.019 3.915 -0.314 217 HA ASP 30 HA ASP 30 -19.930 1.229 -0.004 218 HB2 ASP 30 HB2 ASP 30 -20.144 3.047 -2.411 219 HB3 ASP 30 HB1 ASP 30 -19.401 1.453 -2.449 220 H VAL 31 HN VAL 31 -18.824 3.577 1.353 221 HA VAL 31 HA VAL 31 -16.365 4.303 0.172 222 HB VAL 31 HB VAL 31 -17.342 5.791 1.781 223 HG11 VAL 31 HG11 VAL 31 -17.554 5.201 4.163 224 HG12 VAL 31 HG12 VAL 31 -17.101 3.542 3.771 225 HG13 VAL 31 HG13 VAL 31 -18.593 4.226 3.124 226 HG21 VAL 31 HG21 VAL 31 -15.467 6.144 3.320 227 HG22 VAL 31 HG22 VAL 31 -14.913 5.793 1.684 228 HG23 VAL 31 HG23 VAL 31 -14.846 4.541 2.923 229 HA PRO 32 HA PRO 32 -14.248 0.509 0.976 230 HB2 PRO 32 HB2 PRO 32 -11.752 1.464 0.324 231 HB3 PRO 32 HB1 PRO 32 -12.939 0.877 -0.843 232 HG2 PRO 32 HG2 PRO 32 -12.234 3.668 -0.096 233 HG3 PRO 32 HG1 PRO 32 -12.705 3.008 -1.672 234 HD2 PRO 32 HD2 PRO 32 -14.388 4.439 -0.075 235 HD3 PRO 32 HD1 PRO 32 -14.953 3.200 -1.211 236 H GLU 33 HN GLU 33 -13.574 -0.279 2.835 237 HA GLU 33 HA GLU 33 -12.231 1.485 4.736 238 HB2 GLU 33 HB2 GLU 33 -14.251 0.439 5.616 239 HB3 GLU 33 HB1 GLU 33 -13.644 -1.152 5.178 240 HG2 GLU 33 HG2 GLU 33 -11.946 -1.065 6.817 241 HG3 GLU 33 HG1 GLU 33 -12.223 0.649 7.111 242 H TYR 34 HN TYR 34 -10.165 1.398 4.299 243 HA TYR 34 HA TYR 34 -8.869 -1.122 3.669 244 HB2 TYR 34 HB2 TYR 34 -7.815 1.700 3.840 245 HB3 TYR 34 HB1 TYR 34 -6.826 0.302 3.439 246 HD1 TYR 34 HD2 TYR 34 -7.404 -1.017 1.357 247 HD2 TYR 34 HD1 TYR 34 -9.066 2.805 2.192 248 HE1 TYR 34 HE2 TYR 34 -7.995 -0.766 -1.011 249 HE2 TYR 34 HE1 TYR 34 -9.663 3.070 -0.175 250 HH TYR 34 HH TYR 34 -9.618 0.505 -2.380 251 H GLU 35 HN GLU 35 -7.434 -2.150 4.943 252 HA GLU 35 HA GLU 35 -7.127 -1.114 7.678 253 HB2 GLU 35 HB2 GLU 35 -8.367 -3.280 7.455 254 HB3 GLU 35 HB1 GLU 35 -6.912 -3.991 6.771 255 HG2 GLU 35 HG2 GLU 35 -5.719 -3.451 8.869 256 HG3 GLU 35 HG1 GLU 35 -7.238 -2.869 9.542 257 H VAL 36 HN VAL 36 -5.235 -0.134 7.788 258 HA VAL 36 HA VAL 36 -2.985 -1.125 6.226 259 HB VAL 36 HB VAL 36 -3.318 1.213 5.966 260 HG11 VAL 36 HG11 VAL 36 -3.302 1.423 8.972 261 HG12 VAL 36 HG12 VAL 36 -4.682 1.673 7.901 262 HG13 VAL 36 HG13 VAL 36 -3.318 2.790 7.858 263 HG21 VAL 36 HG21 VAL 36 -0.991 0.574 6.113 264 HG22 VAL 36 HG22 VAL 36 -1.024 0.750 7.867 265 HG23 VAL 36 HG23 VAL 36 -1.219 2.166 6.836 266 H LYS 37 HN LYS 37 -1.386 -2.241 7.056 267 HA LYS 37 HA LYS 37 -0.952 -2.197 9.976 268 HB2 LYS 37 HB2 LYS 37 -0.557 -4.598 8.163 269 HB3 LYS 37 HB1 LYS 37 -0.324 -4.556 9.901 270 HG2 LYS 37 HG2 LYS 37 -2.371 -5.591 9.700 271 HG3 LYS 37 HG1 LYS 37 -2.830 -3.911 9.982 272 HD2 LYS 37 HD2 LYS 37 -4.140 -4.245 8.175 273 HD3 LYS 37 HD1 LYS 37 -2.659 -3.912 7.293 274 HE2 LYS 37 HE2 LYS 37 -3.677 -5.881 6.376 275 HE3 LYS 37 HE1 LYS 37 -2.207 -6.347 7.227 276 HZ1 LYS 37 HZ1 LYS 37 -3.513 -7.103 9.073 277 HZ2 LYS 37 HZ2 LYS 37 -4.098 -7.832 7.666 278 HZ3 LYS 37 HZ3 LYS 37 -4.947 -6.541 8.366 279 H MET 38 HN MET 38 1.034 -1.495 10.500 280 HA MET 38 HA MET 38 3.039 -1.376 8.340 281 HB2 MET 38 HB2 MET 38 2.030 0.690 9.726 282 HB3 MET 38 HB1 MET 38 3.371 0.254 10.781 283 HG2 MET 38 HG2 MET 38 4.956 0.658 9.146 284 HG3 MET 38 HG1 MET 38 3.772 0.612 7.850 285 HE1 MET 38 HE1 MET 38 4.386 4.206 7.209 286 HE2 MET 38 HE2 MET 38 3.895 2.625 6.588 287 HE3 MET 38 HE3 MET 38 5.493 2.833 7.308 288 H LYS 39 HN LYS 39 5.118 -2.141 8.686 289 HA LYS 39 HA LYS 39 5.718 -3.319 11.297 290 HB2 LYS 39 HB2 LYS 39 4.464 -4.939 9.659 291 HB3 LYS 39 HB1 LYS 39 6.024 -5.051 8.864 292 HG2 LYS 39 HG2 LYS 39 5.669 -5.608 11.791 293 HG3 LYS 39 HG1 LYS 39 5.452 -6.847 10.557 294 HD2 LYS 39 HD2 LYS 39 7.743 -6.509 9.801 295 HD3 LYS 39 HD1 LYS 39 7.961 -5.233 10.999 296 HE2 LYS 39 HE2 LYS 39 7.313 -8.107 11.636 297 HE3 LYS 39 HE1 LYS 39 8.930 -7.407 11.685 298 HZ1 LYS 39 HZ1 LYS 39 7.943 -7.476 13.877 299 HZ2 LYS 39 HZ2 LYS 39 6.622 -6.562 13.352 300 HZ3 LYS 39 HZ3 LYS 39 8.165 -5.869 13.392 301 H ARG 40 HN ARG 40 7.839 -3.279 11.777 302 HA ARG 40 HA ARG 40 9.628 -2.045 9.821 303 HB2 ARG 40 HB2 ARG 40 9.612 -2.299 12.803 304 HB3 ARG 40 HB1 ARG 40 11.137 -2.017 11.984 305 HG2 ARG 40 HG2 ARG 40 10.131 0.053 12.805 306 HG3 ARG 40 HG1 ARG 40 10.299 0.051 11.052 307 HD2 ARG 40 HD2 ARG 40 8.161 0.996 11.722 308 HD3 ARG 40 HD1 ARG 40 7.932 -0.499 10.820 309 HE ARG 40 HE ARG 40 7.934 -1.237 13.470 310 HH11 ARG 40 HH11 ARG 40 6.082 0.997 11.502 311 HH12 ARG 40 HH12 ARG 40 4.614 0.773 12.403 312 HH21 ARG 40 HH21 ARG 40 5.994 -1.538 14.656 313 HH22 ARG 40 HH22 ARG 40 4.560 -0.682 14.186 314 H PHE 41 HN PHE 41 11.348 -3.065 8.936 315 HA PHE 41 HA PHE 41 12.018 -5.754 9.950 316 HB2 PHE 41 HB2 PHE 41 11.928 -4.737 7.115 317 HB3 PHE 41 HB1 PHE 41 12.881 -6.141 7.561 318 HD1 PHE 41 HD2 PHE 41 9.408 -4.813 7.741 319 HD2 PHE 41 HD1 PHE 41 11.941 -8.225 7.569 320 HE1 PHE 41 HE2 PHE 41 7.435 -6.261 7.511 321 HE2 PHE 41 HE1 PHE 41 9.970 -9.682 7.341 322 HZ PHE 41 HZ PHE 41 7.713 -8.700 7.309 323 H LYS 42 HN LYS 42 14.093 -6.235 10.308 324 HA LYS 42 HA LYS 42 16.144 -4.320 9.449 325 HB2 LYS 42 HB2 LYS 42 17.324 -4.814 11.635 326 HB3 LYS 42 HB1 LYS 42 15.881 -3.819 11.754 327 HG2 LYS 42 HG2 LYS 42 14.602 -5.821 12.427 328 HG3 LYS 42 HG1 LYS 42 16.104 -6.749 12.407 329 HD2 LYS 42 HD2 LYS 42 17.038 -5.358 14.132 330 HD3 LYS 42 HD1 LYS 42 15.635 -4.294 14.084 331 HE2 LYS 42 HE2 LYS 42 15.454 -5.766 15.987 332 HE3 LYS 42 HE1 LYS 42 14.216 -6.180 14.805 333 HZ1 LYS 42 HZ1 LYS 42 16.795 -7.609 15.150 334 HZ2 LYS 42 HZ2 LYS 42 15.565 -8.027 14.067 335 HZ3 LYS 42 HZ3 LYS 42 15.300 -8.141 15.733 336 H GLY 43 HN GLY 43 17.527 -5.310 8.168 337 HA2 GLY 43 HA2 GLY 43 19.073 -6.965 7.546 338 HA3 GLY 43 HA1 GLY 43 18.372 -8.038 8.750 339 H ALA 44 HN ALA 44 16.424 -6.290 6.421 340 HA ALA 44 HA ALA 44 16.146 -8.752 4.831 341 HB1 ALA 44 HB1 ALA 44 14.185 -8.487 6.295 342 HB2 ALA 44 HB2 ALA 44 13.765 -8.337 4.589 343 HB3 ALA 44 HB3 ALA 44 13.893 -6.895 5.597 344 H ALA 45 HN ALA 45 15.076 -8.212 2.649 345 HA ALA 45 HA ALA 45 16.615 -6.250 1.323 346 HB1 ALA 45 HB1 ALA 45 15.722 -8.235 0.200 347 HB2 ALA 45 HB2 ALA 45 15.247 -6.752 -0.629 348 HB3 ALA 45 HB3 ALA 45 14.086 -7.603 0.391 349 H TYR 46 HN TYR 46 13.756 -6.070 3.124 350 HA TYR 46 HA TYR 46 13.294 -3.314 2.261 351 HB2 TYR 46 HB2 TYR 46 10.840 -3.940 3.074 352 HB3 TYR 46 HB1 TYR 46 11.357 -4.240 1.416 353 HD1 TYR 46 HD2 TYR 46 10.835 -5.845 4.716 354 HD2 TYR 46 HD1 TYR 46 11.467 -6.425 0.551 355 HE1 TYR 46 HE2 TYR 46 10.330 -8.236 4.976 356 HE2 TYR 46 HE1 TYR 46 10.968 -8.817 0.801 357 HH TYR 46 HH TYR 46 10.974 -10.516 2.510 358 H LYS 47 HN LYS 47 12.683 -1.903 3.922 359 HA LYS 47 HA LYS 47 13.530 -2.868 6.572 360 HB2 LYS 47 HB2 LYS 47 13.493 -0.072 5.417 361 HB3 LYS 47 HB1 LYS 47 13.913 -0.448 7.076 362 HG2 LYS 47 HG2 LYS 47 15.946 -0.132 5.905 363 HG3 LYS 47 HG1 LYS 47 15.786 -1.866 6.190 364 HD2 LYS 47 HD2 LYS 47 16.572 -1.490 3.941 365 HD3 LYS 47 HD1 LYS 47 14.930 -2.130 3.889 366 HE2 LYS 47 HE2 LYS 47 14.135 0.257 3.665 367 HE3 LYS 47 HE1 LYS 47 15.824 0.711 3.440 368 HZ1 LYS 47 HZ1 LYS 47 14.220 -1.111 1.729 369 HZ2 LYS 47 HZ2 LYS 47 15.885 -0.858 1.551 370 HZ3 LYS 47 HZ3 LYS 47 14.807 0.422 1.307 371 H LEU 48 HN LEU 48 10.927 -1.695 4.751 372 HA LEU 48 HA LEU 48 9.266 -1.630 7.167 373 HB2 LEU 48 HB2 LEU 48 10.053 0.664 5.931 374 HB3 LEU 48 HB1 LEU 48 8.568 0.323 5.069 375 HG LEU 48 HG LEU 48 8.195 1.865 6.934 376 HD11 LEU 48 HD11 LEU 48 6.971 -0.826 7.491 377 HD12 LEU 48 HD12 LEU 48 6.414 0.304 6.260 378 HD13 LEU 48 HD13 LEU 48 6.338 0.750 7.960 379 HD21 LEU 48 HD21 LEU 48 9.030 -0.411 8.716 380 HD22 LEU 48 HD22 LEU 48 8.470 1.182 9.218 381 HD23 LEU 48 HD23 LEU 48 10.013 1.015 8.377 382 H ARG 49 HN ARG 49 7.423 -2.738 6.950 383 HA ARG 49 HA ARG 49 6.473 -3.357 4.227 384 HB2 ARG 49 HB2 ARG 49 7.323 -5.338 5.541 385 HB3 ARG 49 HB1 ARG 49 6.030 -5.042 6.696 386 HG2 ARG 49 HG2 ARG 49 4.410 -5.292 4.799 387 HG3 ARG 49 HG1 ARG 49 5.766 -5.831 3.808 388 HD2 ARG 49 HD2 ARG 49 4.722 -7.790 4.619 389 HD3 ARG 49 HD1 ARG 49 6.192 -7.589 5.569 390 HE ARG 49 HE ARG 49 4.300 -6.351 7.068 391 HH11 ARG 49 HH11 ARG 49 4.542 -9.539 5.638 392 HH12 ARG 49 HH12 ARG 49 3.553 -10.293 6.851 393 HH21 ARG 49 HH21 ARG 49 3.012 -7.352 8.671 394 HH22 ARG 49 HH22 ARG 49 2.700 -9.057 8.581 395 H ILE 50 HN ILE 50 4.448 -2.723 3.769 396 HA ILE 50 HA ILE 50 2.690 -2.002 6.024 397 HB ILE 50 HB ILE 50 2.722 -0.445 3.427 398 HG12 ILE 50 HG12 ILE 50 3.707 1.426 4.845 399 HG13 ILE 50 HG11 ILE 50 4.116 0.198 6.030 400 HG21 ILE 50 HG21 ILE 50 0.638 -0.444 4.714 401 HG22 ILE 50 HG22 ILE 50 1.384 1.153 4.667 402 HG23 ILE 50 HG23 ILE 50 1.516 0.163 6.119 403 HD11 ILE 50 HD11 ILE 50 5.081 0.104 3.193 404 HD12 ILE 50 HD12 ILE 50 5.665 -0.813 4.591 405 HD13 ILE 50 HD13 ILE 50 5.951 0.926 4.490 406 H LEU 51 HN LEU 51 0.738 -2.920 5.922 407 HA LEU 51 HA LEU 51 -0.023 -4.245 3.409 408 HB2 LEU 51 HB2 LEU 51 -0.198 -5.022 6.260 409 HB3 LEU 51 HB1 LEU 51 -1.577 -5.442 5.264 410 HG LEU 51 HG LEU 51 0.004 -7.296 5.457 411 HD11 LEU 51 HD11 LEU 51 0.205 -7.798 3.092 412 HD12 LEU 51 HD12 LEU 51 -0.087 -6.106 2.695 413 HD13 LEU 51 HD13 LEU 51 -1.357 -7.066 3.452 414 HD21 LEU 51 HD21 LEU 51 1.947 -5.445 4.083 415 HD22 LEU 51 HD22 LEU 51 2.196 -7.167 4.370 416 HD23 LEU 51 HD23 LEU 51 2.071 -6.056 5.732 417 H ILE 52 HN ILE 52 -1.667 -3.315 2.386 418 HA ILE 52 HA ILE 52 -3.754 -2.018 4.019 419 HB ILE 52 HB ILE 52 -2.924 -1.053 1.276 420 HG12 ILE 52 HG12 ILE 52 -2.193 1.010 2.770 421 HG13 ILE 52 HG11 ILE 52 -1.979 -0.239 3.995 422 HG21 ILE 52 HG21 ILE 52 -4.307 0.877 1.807 423 HG22 ILE 52 HG22 ILE 52 -4.689 0.181 3.383 424 HG23 ILE 52 HG23 ILE 52 -5.241 -0.617 1.910 425 HD11 ILE 52 HD11 ILE 52 -0.405 -1.399 2.592 426 HD12 ILE 52 HD12 ILE 52 0.090 0.283 2.788 427 HD13 ILE 52 HD13 ILE 52 -0.672 -0.244 1.287 428 H GLU 53 HN GLU 53 -5.380 -3.475 3.899 429 HA GLU 53 HA GLU 53 -6.065 -4.482 1.219 430 HB2 GLU 53 HB2 GLU 53 -7.085 -6.395 2.225 431 HB3 GLU 53 HB1 GLU 53 -5.487 -6.214 2.929 432 HG2 GLU 53 HG2 GLU 53 -6.501 -5.150 4.889 433 HG3 GLU 53 HG1 GLU 53 -8.093 -5.419 4.191 434 H ASN 54 HN ASN 54 -8.275 -4.636 0.669 435 HA ASN 54 HA ASN 54 -9.851 -2.449 1.837 436 HB2 ASN 54 HB2 ASN 54 -9.335 -2.688 -0.714 437 HB3 ASN 54 HB1 ASN 54 -10.578 -3.933 -0.658 438 HD21 ASN 54 HD21 ASN 54 -12.237 -2.635 1.299 439 HD22 ASN 54 HD22 ASN 54 -12.970 -1.293 0.502 440 H LYS 55 HN LYS 55 -10.946 -3.264 3.505 441 HA LYS 55 HA LYS 55 -12.635 -5.612 3.006 442 HB2 LYS 55 HB2 LYS 55 -12.245 -6.159 5.472 443 HB3 LYS 55 HB1 LYS 55 -10.918 -6.484 4.366 444 HG2 LYS 55 HG2 LYS 55 -9.847 -4.385 5.037 445 HG3 LYS 55 HG1 LYS 55 -11.171 -4.077 6.160 446 HD2 LYS 55 HD2 LYS 55 -9.413 -6.520 6.271 447 HD3 LYS 55 HD1 LYS 55 -9.106 -5.052 7.196 448 HE2 LYS 55 HE2 LYS 55 -11.332 -5.292 8.242 449 HE3 LYS 55 HE1 LYS 55 -11.547 -6.810 7.372 450 HZ1 LYS 55 HZ1 LYS 55 -9.374 -6.250 9.325 451 HZ2 LYS 55 HZ2 LYS 55 -9.645 -7.719 8.524 452 HZ3 LYS 55 HZ3 LYS 55 -10.771 -7.153 9.646 453 H ALA 56 HN ALA 56 -14.454 -4.335 2.650 454 HA ALA 56 HA ALA 56 -15.529 -3.185 5.137 455 HB1 ALA 56 HB1 ALA 56 -14.759 -1.397 3.553 456 HB2 ALA 56 HB2 ALA 56 -16.462 -1.318 3.996 457 HB3 ALA 56 HB3 ALA 56 -15.992 -1.968 2.431 458 HA PRO 57 HA PRO 57 -19.294 -5.461 4.224 459 HB2 PRO 57 HB2 PRO 57 -21.162 -3.553 4.857 460 HB3 PRO 57 HB1 PRO 57 -20.335 -4.547 6.061 461 HG2 PRO 57 HG2 PRO 57 -19.687 -1.771 5.133 462 HG3 PRO 57 HG1 PRO 57 -19.762 -2.400 6.794 463 HD2 PRO 57 HD2 PRO 57 -17.421 -2.086 5.581 464 HD3 PRO 57 HD1 PRO 57 -17.724 -3.527 6.574 465 H ASN 58 HN ASN 58 -19.068 -2.102 3.208 466 HA ASN 58 HA ASN 58 -20.053 -2.825 0.557 467 HB2 ASN 58 HB2 ASN 58 -21.094 -0.511 2.218 468 HB3 ASN 58 HB1 ASN 58 -21.442 -0.751 0.509 469 HD21 ASN 58 HD21 ASN 58 -21.956 -1.959 3.735 470 HD22 ASN 58 HD22 ASN 58 -23.315 -2.960 3.358 471 H SER 59 HN SER 59 -18.091 -2.556 -0.362 472 HA SER 59 HA SER 59 -17.051 0.184 -0.375 473 HB2 SER 59 HB2 SER 59 -14.719 -0.857 -0.491 474 HB3 SER 59 HB1 SER 59 -15.525 -0.889 1.069 475 HG SER 59 HG SER 59 -16.262 -3.099 0.133 476 H LYS 60 HN LYS 60 -16.574 0.980 -2.312 477 HA LYS 60 HA LYS 60 -16.310 -0.892 -4.568 478 HB2 LYS 60 HB2 LYS 60 -17.888 1.670 -4.420 479 HB3 LYS 60 HB1 LYS 60 -17.428 0.931 -5.948 480 HG2 LYS 60 HG2 LYS 60 -18.727 -1.008 -5.489 481 HG3 LYS 60 HG1 LYS 60 -19.012 -0.490 -3.826 482 HD2 LYS 60 HD2 LYS 60 -20.261 1.453 -4.663 483 HD3 LYS 60 HD1 LYS 60 -20.005 0.891 -6.317 484 HE2 LYS 60 HE2 LYS 60 -21.357 -1.000 -5.996 485 HE3 LYS 60 HE1 LYS 60 -21.314 -0.836 -4.242 486 HZ1 LYS 60 HZ1 LYS 60 -22.643 1.163 -4.420 487 HZ2 LYS 60 HZ2 LYS 60 -23.435 -0.139 -5.162 488 HZ3 LYS 60 HZ3 LYS 60 -22.667 1.031 -6.110 489 HA PRO 61 HA PRO 61 -12.592 1.897 -4.446 490 HB2 PRO 61 HB2 PRO 61 -10.836 -0.088 -5.077 491 HB3 PRO 61 HB1 PRO 61 -11.298 0.306 -3.419 492 HG2 PRO 61 HG2 PRO 61 -12.310 -1.874 -5.200 493 HG3 PRO 61 HG1 PRO 61 -11.893 -1.941 -3.478 494 HD2 PRO 61 HD2 PRO 61 -14.446 -1.755 -4.337 495 HD3 PRO 61 HD1 PRO 61 -13.897 -1.002 -2.827 496 H ASP 62 HN ASP 62 -11.621 2.763 -6.213 497 HA ASP 62 HA ASP 62 -12.736 2.018 -8.786 498 HB2 ASP 62 HB2 ASP 62 -12.565 4.406 -8.028 499 HB3 ASP 62 HB1 ASP 62 -10.815 4.262 -8.144 500 H ARG 63 HN ARG 63 -9.458 2.807 -7.678 501 HA ARG 63 HA ARG 63 -8.328 0.427 -8.794 502 HB2 ARG 63 HB2 ARG 63 -6.997 1.483 -10.521 503 HB3 ARG 63 HB1 ARG 63 -8.697 1.827 -10.824 504 HG2 ARG 63 HG2 ARG 63 -8.269 4.011 -9.546 505 HG3 ARG 63 HG1 ARG 63 -6.559 3.658 -9.812 506 HD2 ARG 63 HD2 ARG 63 -7.038 3.478 -12.237 507 HD3 ARG 63 HD1 ARG 63 -8.695 3.985 -11.899 508 HE ARG 63 HE ARG 63 -7.086 5.916 -10.777 509 HH11 ARG 63 HH11 ARG 63 -7.596 4.603 -13.980 510 HH12 ARG 63 HH12 ARG 63 -7.181 6.081 -14.790 511 HH21 ARG 63 HH21 ARG 63 -6.540 7.869 -11.847 512 HH22 ARG 63 HH22 ARG 63 -6.590 7.931 -13.580 513 H PHE 64 HN PHE 64 -5.798 0.750 -8.768 514 HA PHE 64 HA PHE 64 -5.125 2.357 -6.394 515 HB2 PHE 64 HB2 PHE 64 -4.019 -0.272 -7.370 516 HB3 PHE 64 HB1 PHE 64 -3.161 0.726 -6.202 517 HD1 PHE 64 HD1 PHE 64 -4.106 1.121 -3.987 518 HD2 PHE 64 HD2 PHE 64 -5.938 -1.541 -6.749 519 HE1 PHE 64 HE1 PHE 64 -5.402 0.119 -2.152 520 HE2 PHE 64 HE2 PHE 64 -7.240 -2.547 -4.922 521 HZ PHE 64 HZ PHE 64 -6.975 -1.718 -2.619 522 H SER 65 HN SER 65 -3.984 4.101 -6.853 523 HA SER 65 HA SER 65 -1.867 3.879 -8.881 524 HB2 SER 65 HB2 SER 65 -3.593 6.338 -8.512 525 HB3 SER 65 HB1 SER 65 -2.380 6.062 -9.760 526 HG SER 65 HG SER 65 -3.694 4.547 -10.701 527 HA PRO 66 HA PRO 66 -0.253 5.534 -4.912 528 HB2 PRO 66 HB2 PRO 66 1.711 3.759 -4.537 529 HB3 PRO 66 HB1 PRO 66 0.031 3.368 -4.150 530 HG2 PRO 66 HG2 PRO 66 1.658 2.588 -6.525 531 HG3 PRO 66 HG1 PRO 66 0.484 1.631 -5.608 532 HD2 PRO 66 HD2 PRO 66 -0.032 2.910 -8.008 533 HD3 PRO 66 HD1 PRO 66 -1.267 2.413 -6.832 534 H SER 67 HN SER 67 1.647 6.683 -4.493 535 HA SER 67 HA SER 67 3.771 6.765 -6.434 536 HB2 SER 67 HB2 SER 67 2.116 9.271 -6.066 537 HB3 SER 67 HB1 SER 67 3.497 9.045 -7.138 538 HG SER 67 HG SER 67 1.668 7.174 -7.681 539 H TYR 68 HN TYR 68 5.593 7.834 -5.678 540 HA TYR 68 HA TYR 68 5.500 8.447 -2.801 541 HB2 TYR 68 HB2 TYR 68 6.896 6.537 -3.215 542 HB3 TYR 68 HB1 TYR 68 7.722 7.356 -4.532 543 HD1 TYR 68 HD2 TYR 68 7.052 7.870 -0.883 544 HD2 TYR 68 HD1 TYR 68 9.818 8.184 -4.104 545 HE1 TYR 68 HE2 TYR 68 8.771 8.672 0.680 546 HE2 TYR 68 HE1 TYR 68 11.543 8.988 -2.542 547 HH TYR 68 HH TYR 68 11.233 8.767 0.819 548 H ASN 69 HN ASN 69 5.828 10.467 -2.231 549 HA ASN 69 HA ASN 69 7.200 12.238 -4.129 550 HB2 ASN 69 HB2 ASN 69 6.209 14.090 -2.681 551 HB3 ASN 69 HB1 ASN 69 5.087 13.177 -3.686 552 HD21 ASN 69 HD21 ASN 69 5.964 14.114 -0.558 553 HD22 ASN 69 HD22 ASN 69 4.713 13.294 0.304 554 H PHE 70 HN PHE 70 9.214 12.705 -3.752 555 HA PHE 70 HA PHE 70 10.584 11.863 -1.417 556 HB2 PHE 70 HB2 PHE 70 11.458 13.708 -3.651 557 HB3 PHE 70 HB1 PHE 70 12.528 13.073 -2.412 558 HD1 PHE 70 HD2 PHE 70 10.371 12.120 -5.261 559 HD2 PHE 70 HD1 PHE 70 13.484 10.941 -2.613 560 HE1 PHE 70 HE2 PHE 70 10.810 10.146 -6.660 561 HE2 PHE 70 HE1 PHE 70 13.931 8.965 -4.009 562 HZ PHE 70 HZ PHE 70 12.590 8.564 -6.035 563 H ALA 71 HN ALA 71 9.045 14.788 -2.359 564 HA ALA 71 HA ALA 71 10.353 16.711 -0.869 565 HB1 ALA 71 HB1 ALA 71 7.384 16.578 -1.363 566 HB2 ALA 71 HB2 ALA 71 8.575 17.129 -2.539 567 HB3 ALA 71 HB3 ALA 71 8.343 18.021 -1.036 568 H GLU 72 HN GLU 72 7.598 14.699 0.116 569 HA GLU 72 HA GLU 72 8.089 15.529 2.896 570 HB2 GLU 72 HB2 GLU 72 5.525 14.266 2.033 571 HB3 GLU 72 HB1 GLU 72 5.822 15.388 3.353 572 HG2 GLU 72 HG2 GLU 72 6.216 17.165 1.648 573 HG3 GLU 72 HG1 GLU 72 5.697 16.008 0.421 574 H ASN 73 HN ASN 73 8.849 13.184 0.917 575 HA ASN 73 HA ASN 73 9.342 10.986 0.980 576 HB2 ASN 73 HB2 ASN 73 10.299 10.111 3.091 577 HB3 ASN 73 HB1 ASN 73 10.954 11.679 2.645 578 HD21 ASN 73 HD21 ASN 73 8.824 9.986 4.829 579 HD22 ASN 73 HD22 ASN 73 8.775 11.219 6.043 580 H ILE 74 HN ILE 74 6.678 11.381 0.848 581 HA ILE 74 HA ILE 74 5.594 9.301 2.632 582 HB ILE 74 HB ILE 74 4.278 11.765 1.506 583 HG12 ILE 74 HG12 ILE 74 4.409 10.814 4.359 584 HG13 ILE 74 HG11 ILE 74 5.714 11.745 3.639 585 HG21 ILE 74 HG21 ILE 74 2.691 9.960 1.247 586 HG22 ILE 74 HG22 ILE 74 2.202 10.987 2.595 587 HG23 ILE 74 HG23 ILE 74 2.974 9.434 2.907 588 HD11 ILE 74 HD11 ILE 74 4.128 13.552 3.180 589 HD12 ILE 74 HD12 ILE 74 4.273 13.176 4.896 590 HD13 ILE 74 HD13 ILE 74 2.864 12.622 3.987 591 H LEU 75 HN LEU 75 4.512 7.633 1.787 592 HA LEU 75 HA LEU 75 4.332 7.466 -1.138 593 HB2 LEU 75 HB2 LEU 75 5.722 5.763 0.011 594 HB3 LEU 75 HB1 LEU 75 4.332 5.277 0.956 595 HG LEU 75 HG LEU 75 5.003 3.786 -0.998 596 HD11 LEU 75 HD11 LEU 75 2.887 3.490 0.095 597 HD12 LEU 75 HD12 LEU 75 2.662 3.345 -1.649 598 HD13 LEU 75 HD13 LEU 75 2.183 4.827 -0.815 599 HD21 LEU 75 HD21 LEU 75 4.158 4.426 -3.195 600 HD22 LEU 75 HD22 LEU 75 5.412 5.529 -2.633 601 HD23 LEU 75 HD23 LEU 75 3.720 6.014 -2.566 602 H TYR 76 HN TYR 76 2.355 8.124 -1.759 603 HA TYR 76 HA TYR 76 0.087 7.562 -0.011 604 HB2 TYR 76 HB2 TYR 76 -0.798 9.479 -0.781 605 HB3 TYR 76 HB1 TYR 76 0.766 9.783 -1.519 606 HD1 TYR 76 HD2 TYR 76 1.095 9.429 -3.905 607 HD2 TYR 76 HD1 TYR 76 -2.696 8.834 -2.080 608 HE1 TYR 76 HE2 TYR 76 0.034 9.467 -6.122 609 HE2 TYR 76 HE1 TYR 76 -3.776 8.876 -4.298 610 HH TYR 76 HH TYR 76 -2.066 8.567 -7.162 611 H ILE 77 HN ILE 77 -1.637 6.295 -0.607 612 HA ILE 77 HA ILE 77 -1.018 4.356 -2.696 613 HB ILE 77 HB ILE 77 -3.071 4.328 -0.482 614 HG12 ILE 77 HG12 ILE 77 -0.747 3.984 0.248 615 HG13 ILE 77 HG11 ILE 77 -1.704 2.521 0.445 616 HG21 ILE 77 HG21 ILE 77 -3.567 2.029 -1.151 617 HG22 ILE 77 HG22 ILE 77 -2.493 2.204 -2.539 618 HG23 ILE 77 HG23 ILE 77 -3.958 3.182 -2.429 619 HD11 ILE 77 HD11 ILE 77 -0.727 1.635 -1.630 620 HD12 ILE 77 HD12 ILE 77 0.486 1.985 -0.399 621 HD13 ILE 77 HD13 ILE 77 0.268 3.087 -1.758 622 H ASN 78 HN ASN 78 -3.854 6.185 -1.584 623 HA ASN 78 HA ASN 78 -4.697 6.670 -4.317 624 HB2 ASN 78 HB2 ASN 78 -6.178 4.858 -2.437 625 HB3 ASN 78 HB1 ASN 78 -7.087 5.868 -3.551 626 HD21 ASN 78 HD21 ASN 78 -6.865 2.974 -3.387 627 HD22 ASN 78 HD22 ASN 78 -6.314 2.460 -4.942 628 H GLY 79 HN GLY 79 -7.004 7.841 -4.087 629 HA2 GLY 79 HA2 GLY 79 -6.603 10.072 -2.324 630 HA3 GLY 79 HA1 GLY 79 -7.974 9.819 -3.394 631 H LYS 80 HN LYS 80 -7.150 7.276 -1.262 632 HA LYS 80 HA LYS 80 -9.450 7.928 0.451 633 HB2 LYS 80 HB2 LYS 80 -8.201 5.203 0.088 634 HB3 LYS 80 HB1 LYS 80 -9.759 5.585 0.807 635 HG2 LYS 80 HG2 LYS 80 -9.035 5.948 -2.090 636 HG3 LYS 80 HG1 LYS 80 -9.973 4.608 -1.428 637 HD2 LYS 80 HD2 LYS 80 -11.697 6.173 -0.684 638 HD3 LYS 80 HD1 LYS 80 -10.752 7.523 -1.316 639 HE2 LYS 80 HE2 LYS 80 -10.926 6.559 -3.572 640 HE3 LYS 80 HE1 LYS 80 -11.916 5.253 -2.923 641 HZ1 LYS 80 HZ1 LYS 80 -13.243 7.018 -3.936 642 HZ2 LYS 80 HZ2 LYS 80 -12.627 8.136 -2.827 643 HZ3 LYS 80 HZ3 LYS 80 -13.589 6.854 -2.290 644 H LEU 81 HN LEU 81 -6.137 6.768 0.346 645 HA LEU 81 HA LEU 81 -5.569 7.979 2.857 646 HB2 LEU 81 HB2 LEU 81 -4.621 5.827 3.849 647 HB3 LEU 81 HB1 LEU 81 -6.346 6.101 3.946 648 HG LEU 81 HG LEU 81 -6.689 4.534 2.065 649 HD11 LEU 81 HD11 LEU 81 -4.888 3.121 1.285 650 HD12 LEU 81 HD12 LEU 81 -3.740 3.973 2.320 651 HD13 LEU 81 HD13 LEU 81 -4.504 4.815 0.971 652 HD21 LEU 81 HD21 LEU 81 -5.119 3.493 4.410 653 HD22 LEU 81 HD22 LEU 81 -6.077 2.499 3.315 654 HD23 LEU 81 HD23 LEU 81 -6.866 3.719 4.315 655 H SER 82 HN SER 82 -3.383 8.100 3.371 656 HA SER 82 HA SER 82 -1.532 7.203 1.276 657 HB2 SER 82 HB2 SER 82 -1.897 9.584 0.971 658 HB3 SER 82 HB1 SER 82 -1.590 9.882 2.672 659 HG SER 82 HG SER 82 0.304 10.324 1.738 660 H ILE 83 HN ILE 83 0.627 6.756 2.026 661 HA ILE 83 HA ILE 83 0.657 6.062 4.893 662 HB ILE 83 HB ILE 83 2.025 4.614 2.619 663 HG12 ILE 83 HG12 ILE 83 -0.406 4.292 2.562 664 HG13 ILE 83 HG11 ILE 83 0.409 2.809 3.043 665 HG21 ILE 83 HG21 ILE 83 3.273 4.463 4.697 666 HG22 ILE 83 HG22 ILE 83 2.544 2.910 4.293 667 HG23 ILE 83 HG23 ILE 83 1.825 3.921 5.546 668 HD11 ILE 83 HD11 ILE 83 -1.569 3.123 4.372 669 HD12 ILE 83 HD12 ILE 83 -1.036 4.735 4.849 670 HD13 ILE 83 HD13 ILE 83 -0.145 3.314 5.394 671 HA PRO 84 HA PRO 84 4.161 8.965 4.643 672 HB2 PRO 84 HB2 PRO 84 3.864 8.871 7.569 673 HB3 PRO 84 HB1 PRO 84 3.850 10.264 6.484 674 HG2 PRO 84 HG2 PRO 84 1.613 9.416 7.675 675 HG3 PRO 84 HG1 PRO 84 1.601 10.047 6.016 676 HD2 PRO 84 HD2 PRO 84 1.559 7.196 6.954 677 HD3 PRO 84 HD1 PRO 84 0.596 7.975 5.679 678 H LEU 85 HN LEU 85 6.255 8.493 4.771 679 HA LEU 85 HA LEU 85 6.985 5.955 6.060 680 HB2 LEU 85 HB2 LEU 85 8.481 7.544 3.973 681 HB3 LEU 85 HB1 LEU 85 8.883 5.935 4.542 682 HG LEU 85 HG LEU 85 6.378 6.658 3.020 683 HD11 LEU 85 HD11 LEU 85 7.391 5.474 1.165 684 HD12 LEU 85 HD12 LEU 85 8.844 5.188 2.122 685 HD13 LEU 85 HD13 LEU 85 8.401 6.832 1.661 686 HD21 LEU 85 HD21 LEU 85 6.025 4.783 4.519 687 HD22 LEU 85 HD22 LEU 85 7.475 3.991 3.903 688 HD23 LEU 85 HD23 LEU 85 6.082 4.225 2.847 689 HA PRO 86 HA PRO 86 9.541 8.153 8.953 690 HB2 PRO 86 HB2 PRO 86 11.491 6.324 9.410 691 HB3 PRO 86 HB1 PRO 86 9.864 6.181 10.076 692 HG2 PRO 86 HG2 PRO 86 11.074 4.816 7.718 693 HG3 PRO 86 HG1 PRO 86 9.965 4.171 8.939 694 HD2 PRO 86 HD2 PRO 86 9.177 4.949 6.440 695 HD3 PRO 86 HD1 PRO 86 8.113 4.980 7.858 696 H ARG 87 HN ARG 87 11.186 9.547 8.852 697 HA ARG 87 HA ARG 87 12.532 9.905 6.387 698 HB2 ARG 87 HB2 ARG 87 11.981 11.447 8.755 699 HB3 ARG 87 HB1 ARG 87 13.674 11.611 8.306 700 HG2 ARG 87 HG2 ARG 87 11.288 12.167 6.564 701 HG3 ARG 87 HG1 ARG 87 12.404 13.350 7.254 702 HD2 ARG 87 HD2 ARG 87 14.221 12.457 5.957 703 HD3 ARG 87 HD1 ARG 87 13.196 11.156 5.361 704 HE ARG 87 HE ARG 87 12.076 13.679 4.717 705 HH11 ARG 87 HH11 ARG 87 14.665 11.521 3.781 706 HH12 ARG 87 HH12 ARG 87 14.681 12.053 2.130 707 HH21 ARG 87 HH21 ARG 87 12.074 14.368 2.548 708 HH22 ARG 87 HH22 ARG 87 13.197 13.671 1.424 709 H ASP 88 HN ASP 88 13.167 7.820 8.745 710 HA ASP 88 HA ASP 88 16.042 8.176 8.899 711 HB2 ASP 88 HB2 ASP 88 14.732 7.376 10.864 712 HB3 ASP 88 HB1 ASP 88 14.332 5.917 9.966 713 H ILE 89 HN ILE 89 13.777 6.641 6.915 714 HA ILE 89 HA ILE 89 15.720 4.664 5.955 715 HB ILE 89 HB ILE 89 12.734 4.806 5.499 716 HG12 ILE 89 HG12 ILE 89 14.378 2.934 7.219 717 HG13 ILE 89 HG11 ILE 89 13.351 4.235 7.816 718 HG21 ILE 89 HG21 ILE 89 14.708 2.660 4.727 719 HG22 ILE 89 HG22 ILE 89 13.910 3.775 3.619 720 HG23 ILE 89 HG23 ILE 89 12.960 2.584 4.508 721 HD11 ILE 89 HD11 ILE 89 12.442 1.792 6.321 722 HD12 ILE 89 HD12 ILE 89 11.400 3.106 6.867 723 HD13 ILE 89 HD13 ILE 89 12.247 2.105 8.045 724 H VAL 90 HN VAL 90 16.521 4.796 3.957 725 HA VAL 90 HA VAL 90 15.927 7.139 2.366 726 HB VAL 90 HB VAL 90 17.807 4.853 1.746 727 HG11 VAL 90 HG11 VAL 90 17.164 6.111 -0.234 728 HG12 VAL 90 HG12 VAL 90 18.846 6.440 0.186 729 HG13 VAL 90 HG13 VAL 90 17.594 7.622 0.568 730 HG21 VAL 90 HG21 VAL 90 18.460 5.938 3.812 731 HG22 VAL 90 HG22 VAL 90 18.356 7.519 3.039 732 HG23 VAL 90 HG23 VAL 90 19.585 6.366 2.524 733 H VAL 91 HN VAL 91 14.252 7.129 1.004 734 HA VAL 91 HA VAL 91 13.399 4.524 -0.074 735 HB VAL 91 HB VAL 91 11.604 6.838 0.667 736 HG11 VAL 91 HG11 VAL 91 9.784 5.258 0.275 737 HG12 VAL 91 HG12 VAL 91 10.953 4.037 -0.228 738 HG13 VAL 91 HG13 VAL 91 10.750 5.508 -1.178 739 HG21 VAL 91 HG21 VAL 91 12.033 4.214 2.089 740 HG22 VAL 91 HG22 VAL 91 10.834 5.434 2.516 741 HG23 VAL 91 HG23 VAL 91 12.553 5.799 2.659 742 H ASN 92 HN ASN 92 13.217 4.347 -2.150 743 HA ASN 92 HA ASN 92 12.618 6.667 -3.816 744 HB2 ASN 92 HB2 ASN 92 14.337 5.274 -5.430 745 HB3 ASN 92 HB1 ASN 92 14.748 6.745 -4.556 746 HD21 ASN 92 HD21 ASN 92 14.733 3.234 -4.291 747 HD22 ASN 92 HD22 ASN 92 16.136 3.128 -3.287 748 H ALA 93 HN ALA 93 11.969 5.956 -6.036 749 HA ALA 93 HA ALA 93 9.900 4.060 -5.818 750 HB1 ALA 93 HB1 ALA 93 9.574 4.431 -8.209 751 HB2 ALA 93 HB2 ALA 93 11.126 5.266 -8.289 752 HB3 ALA 93 HB3 ALA 93 9.805 5.948 -7.340 753 H ALA 94 HN ALA 94 13.203 3.699 -6.558 754 HA ALA 94 HA ALA 94 12.927 1.213 -8.013 755 HB1 ALA 94 HB1 ALA 94 14.769 2.745 -8.514 756 HB2 ALA 94 HB2 ALA 94 15.369 1.173 -7.984 757 HB3 ALA 94 HB3 ALA 94 15.382 2.543 -6.874 758 H ASP 95 HN ASP 95 12.872 2.146 -4.792 759 HA ASP 95 HA ASP 95 13.842 -0.469 -3.837 760 HB2 ASP 95 HB2 ASP 95 14.942 1.673 -3.021 761 HB3 ASP 95 HB1 ASP 95 13.429 2.038 -2.204 762 H ILE 96 HN ILE 96 11.172 1.611 -4.167 763 HA ILE 96 HA ILE 96 9.482 0.464 -2.162 764 HB ILE 96 HB ILE 96 8.950 2.244 -4.538 765 HG12 ILE 96 HG12 ILE 96 8.799 2.919 -1.608 766 HG13 ILE 96 HG11 ILE 96 10.287 3.075 -2.540 767 HG21 ILE 96 HG21 ILE 96 7.025 1.480 -2.340 768 HG22 ILE 96 HG22 ILE 96 6.952 0.913 -4.008 769 HG23 ILE 96 HG23 ILE 96 6.719 2.624 -3.649 770 HD11 ILE 96 HD11 ILE 96 9.253 4.664 -4.003 771 HD12 ILE 96 HD12 ILE 96 9.046 5.181 -2.330 772 HD13 ILE 96 HD13 ILE 96 7.699 4.447 -3.200 773 H LYS 97 HN LYS 97 8.657 -1.498 -2.303 774 HA LYS 97 HA LYS 97 8.100 -2.635 -4.961 775 HB2 LYS 97 HB2 LYS 97 8.388 -4.137 -2.365 776 HB3 LYS 97 HB1 LYS 97 8.369 -4.803 -3.987 777 HG2 LYS 97 HG2 LYS 97 10.528 -3.098 -2.765 778 HG3 LYS 97 HG1 LYS 97 10.614 -4.823 -3.122 779 HD2 LYS 97 HD2 LYS 97 10.284 -2.616 -5.162 780 HD3 LYS 97 HD1 LYS 97 11.783 -3.479 -4.815 781 HE2 LYS 97 HE2 LYS 97 10.743 -5.578 -5.515 782 HE3 LYS 97 HE1 LYS 97 9.237 -4.727 -5.849 783 HZ1 LYS 97 HZ1 LYS 97 10.523 -5.108 -7.857 784 HZ2 LYS 97 HZ2 LYS 97 11.824 -4.240 -7.218 785 HZ3 LYS 97 HZ3 LYS 97 10.365 -3.454 -7.549 786 H ILE 98 HN ILE 98 6.025 -2.185 -5.420 787 HA ILE 98 HA ILE 98 4.006 -2.596 -3.325 788 HB ILE 98 HB ILE 98 3.796 -1.029 -5.903 789 HG12 ILE 98 HG12 ILE 98 4.054 -0.146 -3.022 790 HG13 ILE 98 HG11 ILE 98 5.250 0.067 -4.293 791 HG21 ILE 98 HG21 ILE 98 1.657 -1.986 -5.248 792 HG22 ILE 98 HG22 ILE 98 1.658 -0.239 -5.011 793 HG23 ILE 98 HG23 ILE 98 1.839 -1.315 -3.628 794 HD11 ILE 98 HD11 ILE 98 3.660 1.525 -5.484 795 HD12 ILE 98 HD12 ILE 98 4.124 2.144 -3.901 796 HD13 ILE 98 HD13 ILE 98 2.551 1.379 -4.122 797 H PHE 99 HN PHE 99 2.797 -4.350 -3.444 798 HA PHE 99 HA PHE 99 2.285 -5.604 -6.056 799 HB2 PHE 99 HB2 PHE 99 3.086 -6.978 -3.486 800 HB3 PHE 99 HB1 PHE 99 2.413 -7.825 -4.870 801 HD1 PHE 99 HD1 PHE 99 3.699 -8.036 -6.934 802 HD2 PHE 99 HD2 PHE 99 5.350 -6.234 -3.457 803 HE1 PHE 99 HE1 PHE 99 5.956 -8.299 -7.877 804 HE2 PHE 99 HE2 PHE 99 7.610 -6.492 -4.393 805 HZ PHE 99 HZ PHE 99 7.916 -7.523 -6.605 806 H HIS 100 HN HIS 100 0.165 -5.749 -6.405 807 HA HIS 100 HA HIS 100 -1.626 -5.696 -4.073 808 HB2 HIS 100 HB2 HIS 100 -2.034 -3.860 -5.605 809 HB3 HIS 100 HB1 HIS 100 -2.173 -4.974 -6.960 810 HD1 HIS 100 HD1 HIS 100 -4.527 -5.472 -7.593 811 HD2 HIS 100 HD2 HIS 100 -4.166 -4.494 -3.558 812 HE1 HIS 100 HE1 HIS 100 -6.864 -5.490 -6.672 813 HE2 HIS 100 HE2 HIS 100 -6.637 -4.742 -4.280 814 H ILE 101 HN ILE 101 -2.290 -7.637 -3.470 815 HA ILE 101 HA ILE 101 -2.762 -9.700 -5.472 816 HB ILE 101 HB ILE 101 -3.099 -9.806 -2.470 817 HG12 ILE 101 HG12 ILE 101 -0.906 -10.874 -4.263 818 HG13 ILE 101 HG11 ILE 101 -0.759 -9.526 -3.139 819 HG21 ILE 101 HG21 ILE 101 -3.296 -12.212 -2.745 820 HG22 ILE 101 HG22 ILE 101 -3.131 -12.046 -4.492 821 HG23 ILE 101 HG23 ILE 101 -4.548 -11.389 -3.675 822 HD11 ILE 101 HD11 ILE 101 -1.231 -12.410 -2.455 823 HD12 ILE 101 HD12 ILE 101 -1.262 -11.087 -1.291 824 HD13 ILE 101 HD13 ILE 101 0.228 -11.463 -2.160 825 H ARG 102 HN ARG 102 -4.553 -9.265 -6.591 826 HA ARG 102 HA ARG 102 -6.818 -7.940 -5.505 827 HB2 ARG 102 HB2 ARG 102 -7.903 -8.573 -7.680 828 HB3 ARG 102 HB1 ARG 102 -6.415 -7.648 -7.817 829 HG2 ARG 102 HG2 ARG 102 -5.179 -9.575 -8.444 830 HG3 ARG 102 HG1 ARG 102 -6.534 -10.640 -8.060 831 HD2 ARG 102 HD2 ARG 102 -6.412 -10.348 -10.439 832 HD3 ARG 102 HD1 ARG 102 -7.850 -9.539 -9.823 833 HE ARG 102 HE ARG 102 -5.681 -7.715 -10.006 834 HH11 ARG 102 HH11 ARG 102 -8.032 -9.435 -11.943 835 HH12 ARG 102 HH12 ARG 102 -8.038 -8.264 -13.221 836 HH21 ARG 102 HH21 ARG 102 -5.655 -6.169 -11.705 837 HH22 ARG 102 HH22 ARG 102 -6.681 -6.413 -13.090 838 H LYS 103 HN LYS 103 -5.864 -11.252 -5.755 839 HA LYS 103 HA LYS 103 -8.320 -12.557 -5.486 840 HB2 LYS 103 HB2 LYS 103 -6.153 -13.683 -5.917 841 HB3 LYS 103 HB1 LYS 103 -5.655 -13.322 -4.272 842 HG2 LYS 103 HG2 LYS 103 -7.757 -14.633 -3.577 843 HG3 LYS 103 HG1 LYS 103 -7.731 -15.248 -5.230 844 HD2 LYS 103 HD2 LYS 103 -5.542 -15.499 -3.169 845 HD3 LYS 103 HD1 LYS 103 -6.571 -16.792 -3.783 846 HE2 LYS 103 HE2 LYS 103 -4.623 -15.187 -5.433 847 HE3 LYS 103 HE1 LYS 103 -4.319 -16.798 -4.790 848 HZ1 LYS 103 HZ1 LYS 103 -6.599 -16.213 -6.586 849 HZ2 LYS 103 HZ2 LYS 103 -5.952 -17.722 -6.181 850 HZ3 LYS 103 HZ3 LYS 103 -5.076 -16.662 -7.169 851 H GLU 104 HN GLU 104 -6.113 -11.298 -3.031 852 HA GLU 104 HA GLU 104 -8.042 -11.956 -0.929 853 HB2 GLU 104 HB2 GLU 104 -5.147 -11.104 -0.737 854 HB3 GLU 104 HB1 GLU 104 -6.163 -11.598 0.611 855 HG2 GLU 104 HG2 GLU 104 -5.501 -13.370 -1.725 856 HG3 GLU 104 HG1 GLU 104 -4.593 -13.344 -0.215 857 H ARG 105 HN ARG 105 -7.423 -9.479 -2.910 858 HA ARG 105 HA ARG 105 -7.777 -7.237 -2.929 859 HB2 ARG 105 HB2 ARG 105 -9.443 -7.944 -0.507 860 HB3 ARG 105 HB1 ARG 105 -9.481 -6.381 -1.312 861 HG2 ARG 105 HG2 ARG 105 -10.437 -7.283 -3.254 862 HG3 ARG 105 HG1 ARG 105 -10.052 -8.936 -2.775 863 HD2 ARG 105 HD2 ARG 105 -12.431 -8.444 -2.500 864 HD3 ARG 105 HD1 ARG 105 -11.658 -8.806 -0.960 865 HE ARG 105 HE ARG 105 -11.956 -6.596 -0.297 866 HH11 ARG 105 HH11 ARG 105 -12.968 -7.032 -3.618 867 HH12 ARG 105 HH12 ARG 105 -13.940 -5.598 -3.647 868 HH21 ARG 105 HH21 ARG 105 -13.274 -4.729 -0.317 869 HH22 ARG 105 HH22 ARG 105 -14.134 -4.302 -1.762 870 H THR 106 HN THR 106 -5.397 -8.154 -1.649 871 HA THR 106 HA THR 106 -5.105 -6.187 0.527 872 HB THR 106 HB THR 106 -3.668 -8.839 0.274 873 HG1 THR 106 HG1 THR 106 -6.066 -8.660 0.951 874 HG21 THR 106 HG21 THR 106 -2.333 -7.144 1.404 875 HG22 THR 106 HG22 THR 106 -2.897 -8.354 2.557 876 HG23 THR 106 HG23 THR 106 -3.681 -6.777 2.480 877 H LEU 107 HN LEU 107 -3.558 -4.701 0.259 878 HA LEU 107 HA LEU 107 -1.735 -5.014 -2.015 879 HB2 LEU 107 HB2 LEU 107 -3.352 -2.936 -1.360 880 HB3 LEU 107 HB1 LEU 107 -1.877 -2.445 -0.553 881 HG LEU 107 HG LEU 107 -2.252 -2.954 -3.502 882 HD11 LEU 107 HD11 LEU 107 -1.652 -0.600 -3.704 883 HD12 LEU 107 HD12 LEU 107 -1.530 -0.476 -1.948 884 HD13 LEU 107 HD13 LEU 107 -3.089 -0.813 -2.703 885 HD21 LEU 107 HD21 LEU 107 -0.072 -3.794 -2.775 886 HD22 LEU 107 HD22 LEU 107 0.273 -2.232 -2.031 887 HD23 LEU 107 HD23 LEU 107 0.077 -2.353 -3.780 888 H TYR 108 HN TYR 108 0.292 -5.575 -1.603 889 HA TYR 108 HA TYR 108 1.380 -5.232 1.093 890 HB2 TYR 108 HB2 TYR 108 2.333 -6.872 -1.261 891 HB3 TYR 108 HB1 TYR 108 3.173 -6.767 0.282 892 HD1 TYR 108 HD1 TYR 108 -0.192 -7.602 -1.092 893 HD2 TYR 108 HD2 TYR 108 2.746 -8.373 1.878 894 HE1 TYR 108 HE1 TYR 108 -1.561 -9.438 -0.229 895 HE2 TYR 108 HE2 TYR 108 1.385 -10.219 2.753 896 HH TYR 108 HH TYR 108 -1.101 -10.846 2.749 897 H ILE 109 HN ILE 109 2.778 -3.692 1.532 898 HA ILE 109 HA ILE 109 4.325 -2.471 -0.664 899 HB ILE 109 HB ILE 109 3.680 -1.251 2.024 900 HG12 ILE 109 HG12 ILE 109 1.628 -1.536 0.683 901 HG13 ILE 109 HG11 ILE 109 2.052 0.162 0.878 902 HG21 ILE 109 HG21 ILE 109 4.469 0.830 1.037 903 HG22 ILE 109 HG22 ILE 109 4.825 -0.013 -0.473 904 HG23 ILE 109 HG23 ILE 109 5.723 -0.410 0.992 905 HD11 ILE 109 HD11 ILE 109 2.606 -1.506 -1.563 906 HD12 ILE 109 HD12 ILE 109 2.958 0.213 -1.366 907 HD13 ILE 109 HD13 ILE 109 1.286 -0.350 -1.379 908 H TYR 110 HN TYR 110 6.435 -3.015 -0.634 909 HA TYR 110 HA TYR 110 7.709 -3.437 1.995 910 HB2 TYR 110 HB2 TYR 110 8.435 -4.766 -0.621 911 HB3 TYR 110 HB1 TYR 110 9.281 -4.979 0.900 912 HD1 TYR 110 HD2 TYR 110 6.188 -5.740 -0.950 913 HD2 TYR 110 HD1 TYR 110 8.435 -6.447 2.593 914 HE1 TYR 110 HE2 TYR 110 4.748 -7.663 -0.425 915 HE2 TYR 110 HE1 TYR 110 7.001 -8.372 3.125 916 HH TYR 110 HH TYR 110 4.891 -9.296 2.630 917 H ILE 111 HN ILE 111 9.250 -2.003 2.440 918 HA ILE 111 HA ILE 111 10.685 -0.732 0.211 919 HB ILE 111 HB ILE 111 9.660 0.748 2.645 920 HG12 ILE 111 HG12 ILE 111 8.803 0.962 -0.251 921 HG13 ILE 111 HG11 ILE 111 7.876 0.175 1.019 922 HG21 ILE 111 HG21 ILE 111 10.506 2.752 1.491 923 HG22 ILE 111 HG22 ILE 111 11.174 1.723 0.222 924 HG23 ILE 111 HG23 ILE 111 11.797 1.609 1.868 925 HD11 ILE 111 HD11 ILE 111 8.595 3.093 0.907 926 HD12 ILE 111 HD12 ILE 111 7.668 2.307 2.184 927 HD13 ILE 111 HD13 ILE 111 7.018 2.390 0.547 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 8.360 24.618 -1.267 2 H2 GLY 1 HT2 GLY 1 9.372 24.491 0.080 3 H3 GLY 1 HT3 GLY 1 8.483 23.153 -0.437 4 HA2 GLY 1 HA1 GLY 1 10.675 24.463 -1.932 5 HA3 GLY 1 HA2 GLY 1 10.785 22.929 -1.083 6 HA PRO 2 HA PRO 2 9.656 21.961 -5.468 7 HB2 PRO 2 HB2 PRO 2 11.666 19.862 -5.197 8 HB3 PRO 2 HB1 PRO 2 11.582 21.174 -6.374 9 HG2 PRO 2 HG2 PRO 2 13.458 21.075 -4.422 10 HG3 PRO 2 HG1 PRO 2 12.826 22.597 -5.076 11 HD2 PRO 2 HD2 PRO 2 12.123 21.193 -2.526 12 HD3 PRO 2 HD1 PRO 2 12.353 22.928 -2.832 13 H HIS 3 HN HIS 3 8.261 20.343 -6.040 14 HA HIS 3 HA HIS 3 7.633 18.442 -3.904 15 HB2 HIS 3 HB2 HIS 3 5.391 18.297 -4.786 16 HB3 HIS 3 HB1 HIS 3 5.810 19.981 -4.546 17 HD1 HIS 3 HD1 HIS 3 3.939 18.113 -6.736 18 HD2 HIS 3 HD2 HIS 3 6.950 20.909 -7.344 19 HE1 HIS 3 HE1 HIS 3 3.616 18.952 -9.080 20 HE2 HIS 3 HE2 HIS 3 5.534 20.532 -9.478 21 H MET 4 HN MET 4 9.744 17.598 -5.093 22 HA MET 4 HA MET 4 9.588 16.156 -7.467 23 HB2 MET 4 HB2 MET 4 11.694 16.564 -6.291 24 HB3 MET 4 HB1 MET 4 11.180 15.514 -4.982 25 HG2 MET 4 HG2 MET 4 12.696 14.286 -6.323 26 HG3 MET 4 HG1 MET 4 11.087 13.639 -6.621 27 HE1 MET 4 HE1 MET 4 12.739 16.958 -8.036 28 HE2 MET 4 HE2 MET 4 13.429 16.340 -9.536 29 HE3 MET 4 HE3 MET 4 14.040 15.771 -7.983 30 H SER 5 HN SER 5 8.550 14.382 -8.035 31 HA SER 5 HA SER 5 7.630 12.490 -6.033 32 HB2 SER 5 HB2 SER 5 5.276 12.679 -7.085 33 HB3 SER 5 HB1 SER 5 5.774 13.922 -5.935 34 HG SER 5 HG SER 5 6.036 15.350 -7.549 35 H VAL 6 HN VAL 6 7.540 10.469 -6.773 36 HA VAL 6 HA VAL 6 7.577 10.035 -9.689 37 HB VAL 6 HB VAL 6 8.985 8.010 -9.269 38 HG11 VAL 6 HG11 VAL 6 10.192 10.652 -8.467 39 HG12 VAL 6 HG12 VAL 6 9.965 10.065 -10.114 40 HG13 VAL 6 HG13 VAL 6 11.085 9.241 -9.032 41 HG21 VAL 6 HG21 VAL 6 10.283 7.955 -7.149 42 HG22 VAL 6 HG22 VAL 6 8.563 7.636 -6.932 43 HG23 VAL 6 HG23 VAL 6 9.225 9.216 -6.514 44 H GLN 7 HN GLN 7 6.376 8.295 -10.448 45 HA GLN 7 HA GLN 7 4.363 7.354 -8.563 46 HB2 GLN 7 HB2 GLN 7 3.027 6.736 -10.457 47 HB3 GLN 7 HB1 GLN 7 3.656 8.348 -10.745 48 HG2 GLN 7 HG2 GLN 7 4.776 5.819 -11.928 49 HG3 GLN 7 HG1 GLN 7 3.676 6.923 -12.748 50 HE21 GLN 7 HE21 GLN 7 6.905 6.386 -11.635 51 HE22 GLN 7 HE22 GLN 7 7.637 7.721 -12.464 52 H ILE 8 HN ILE 8 3.999 5.207 -8.094 53 HA ILE 8 HA ILE 8 6.215 3.435 -8.877 54 HB ILE 8 HB ILE 8 4.479 2.958 -6.475 55 HG12 ILE 8 HG12 ILE 8 5.374 5.214 -6.171 56 HG13 ILE 8 HG11 ILE 8 6.160 4.091 -5.072 57 HG21 ILE 8 HG21 ILE 8 6.450 1.725 -5.695 58 HG22 ILE 8 HG22 ILE 8 7.307 2.170 -7.170 59 HG23 ILE 8 HG23 ILE 8 5.883 1.132 -7.256 60 HD11 ILE 8 HD11 ILE 8 7.297 5.186 -7.632 61 HD12 ILE 8 HD12 ILE 8 8.087 4.000 -6.592 62 HD13 ILE 8 HD13 ILE 8 7.767 5.627 -5.990 63 HA PRO 9 HA PRO 9 2.968 1.128 -10.902 64 HB2 PRO 9 HB2 PRO 9 4.537 -0.913 -11.764 65 HB3 PRO 9 HB1 PRO 9 4.452 0.653 -12.576 66 HG2 PRO 9 HG2 PRO 9 6.530 -0.406 -10.713 67 HG3 PRO 9 HG1 PRO 9 6.728 0.595 -12.162 68 HD2 PRO 9 HD2 PRO 9 6.820 1.580 -9.612 69 HD3 PRO 9 HD1 PRO 9 6.318 2.542 -11.015 70 H VAL 10 HN VAL 10 1.588 -0.130 -9.892 71 HA VAL 10 HA VAL 10 2.557 -1.937 -7.806 72 HB VAL 10 HB VAL 10 0.848 -0.583 -6.914 73 HG11 VAL 10 HG11 VAL 10 -0.819 -1.219 -9.343 74 HG12 VAL 10 HG12 VAL 10 -0.052 0.326 -8.972 75 HG13 VAL 10 HG13 VAL 10 -1.353 -0.280 -7.949 76 HG21 VAL 10 HG21 VAL 10 0.619 -2.978 -6.384 77 HG22 VAL 10 HG22 VAL 10 -0.506 -3.155 -7.728 78 HG23 VAL 10 HG23 VAL 10 -0.928 -2.133 -6.353 79 H VAL 11 HN VAL 11 2.771 -3.998 -8.219 80 HA VAL 11 HA VAL 11 1.651 -5.068 -10.684 81 HB VAL 11 HB VAL 11 3.588 -6.326 -8.730 82 HG11 VAL 11 HG11 VAL 11 2.254 -7.940 -10.043 83 HG12 VAL 11 HG12 VAL 11 3.974 -7.997 -10.426 84 HG13 VAL 11 HG13 VAL 11 2.852 -7.191 -11.523 85 HG21 VAL 11 HG21 VAL 11 5.295 -5.843 -10.422 86 HG22 VAL 11 HG22 VAL 11 4.544 -4.366 -9.816 87 HG23 VAL 11 HG23 VAL 11 4.088 -5.004 -11.396 88 H GLU 12 HN GLU 12 -0.272 -6.020 -10.605 89 HA GLU 12 HA GLU 12 -1.258 -7.090 -8.110 90 HB2 GLU 12 HB2 GLU 12 -2.501 -6.918 -10.850 91 HB3 GLU 12 HB1 GLU 12 -3.295 -7.655 -9.462 92 HG2 GLU 12 HG2 GLU 12 -2.918 -5.440 -8.279 93 HG3 GLU 12 HG1 GLU 12 -2.536 -4.790 -9.871 94 H VAL 13 HN VAL 13 -0.649 -8.957 -7.477 95 HA VAL 13 HA VAL 13 -0.371 -11.148 -9.428 96 HB VAL 13 HB VAL 13 1.331 -12.105 -7.759 97 HG11 VAL 13 HG11 VAL 13 3.179 -10.821 -8.758 98 HG12 VAL 13 HG12 VAL 13 2.011 -9.648 -9.359 99 HG13 VAL 13 HG13 VAL 13 1.975 -11.306 -9.951 100 HG21 VAL 13 HG21 VAL 13 1.391 -9.211 -6.901 101 HG22 VAL 13 HG22 VAL 13 2.552 -10.451 -6.421 102 HG23 VAL 13 HG23 VAL 13 0.867 -10.577 -5.913 103 H ASP 14 HN ASP 14 -0.158 -13.311 -7.891 104 HA ASP 14 HA ASP 14 -2.670 -13.335 -6.398 105 HB2 ASP 14 HB2 ASP 14 -2.282 -15.099 -8.099 106 HB3 ASP 14 HB1 ASP 14 -0.874 -15.641 -7.190 107 H GLU 15 HN GLU 15 0.752 -13.561 -6.036 108 HA GLU 15 HA GLU 15 0.637 -12.853 -3.311 109 HB2 GLU 15 HB2 GLU 15 1.506 -14.804 -2.258 110 HB3 GLU 15 HB1 GLU 15 0.090 -15.299 -3.170 111 HG2 GLU 15 HG2 GLU 15 1.592 -16.083 -4.983 112 HG3 GLU 15 HG1 GLU 15 2.965 -15.719 -3.939 113 H LEU 16 HN LEU 16 2.926 -12.856 -2.379 114 HA LEU 16 HA LEU 16 4.585 -11.533 -4.273 115 HB2 LEU 16 HB2 LEU 16 5.189 -12.407 -1.447 116 HB3 LEU 16 HB1 LEU 16 6.193 -11.347 -2.409 117 HG LEU 16 HG LEU 16 5.066 -9.898 -0.996 118 HD11 LEU 16 HD11 LEU 16 4.939 -9.134 -3.283 119 HD12 LEU 16 HD12 LEU 16 3.504 -8.641 -2.381 120 HD13 LEU 16 HD13 LEU 16 3.417 -9.998 -3.505 121 HD21 LEU 16 HD21 LEU 16 2.690 -9.971 -0.513 122 HD22 LEU 16 HD22 LEU 16 3.479 -11.483 -0.073 123 HD23 LEU 16 HD23 LEU 16 2.513 -11.389 -1.544 124 HA PRO 17 HA PRO 17 7.034 -14.977 -5.623 125 HB2 PRO 17 HB2 PRO 17 9.198 -13.612 -6.527 126 HB3 PRO 17 HB1 PRO 17 7.667 -13.673 -7.404 127 HG2 PRO 17 HG2 PRO 17 8.767 -11.520 -5.659 128 HG3 PRO 17 HG1 PRO 17 7.880 -11.381 -7.187 129 HD2 PRO 17 HD2 PRO 17 6.732 -10.995 -4.744 130 HD3 PRO 17 HD1 PRO 17 5.840 -11.579 -6.161 131 H GLU 18 HN GLU 18 9.330 -15.777 -5.391 132 HA GLU 18 HA GLU 18 10.042 -16.210 -2.778 133 HB2 GLU 18 HB2 GLU 18 12.256 -16.906 -3.659 134 HB3 GLU 18 HB1 GLU 18 10.908 -17.576 -4.569 135 HG2 GLU 18 HG2 GLU 18 11.222 -15.934 -6.310 136 HG3 GLU 18 HG1 GLU 18 12.505 -15.164 -5.381 137 H GLY 19 HN GLY 19 11.355 -15.283 -1.295 138 HA2 GLY 19 HA2 GLY 19 13.117 -13.833 -0.603 139 HA3 GLY 19 HA1 GLY 19 12.831 -12.857 -2.036 140 H TYR 20 HN TYR 20 9.827 -13.399 -1.115 141 HA TYR 20 HA TYR 20 9.753 -10.951 0.496 142 HB2 TYR 20 HB2 TYR 20 7.768 -12.261 -1.327 143 HB3 TYR 20 HB1 TYR 20 7.267 -11.043 -0.158 144 HD1 TYR 20 HD2 TYR 20 8.153 -8.745 -0.322 145 HD2 TYR 20 HD1 TYR 20 8.901 -11.646 -3.339 146 HE1 TYR 20 HE2 TYR 20 8.774 -6.954 -1.877 147 HE2 TYR 20 HE1 TYR 20 9.530 -9.858 -4.902 148 HH TYR 20 HH TYR 20 10.187 -6.712 -3.915 149 H ASP 21 HN ASP 21 7.879 -10.802 2.032 150 HA ASP 21 HA ASP 21 7.501 -13.337 3.477 151 HB2 ASP 21 HB2 ASP 21 9.212 -11.998 4.612 152 HB3 ASP 21 HB1 ASP 21 8.117 -10.624 4.673 153 H ARG 22 HN ARG 22 5.409 -13.701 2.945 154 HA ARG 22 HA ARG 22 3.470 -11.539 3.237 155 HB2 ARG 22 HB2 ARG 22 3.234 -12.845 1.216 156 HB3 ARG 22 HB1 ARG 22 3.184 -14.341 2.135 157 HG2 ARG 22 HG2 ARG 22 1.037 -13.963 2.896 158 HG3 ARG 22 HG1 ARG 22 1.144 -12.223 2.639 159 HD2 ARG 22 HD2 ARG 22 -0.340 -13.227 1.022 160 HD3 ARG 22 HD1 ARG 22 1.087 -12.581 0.219 161 HE ARG 22 HE ARG 22 1.870 -14.810 -0.100 162 HH11 ARG 22 HH11 ARG 22 -1.427 -14.578 1.076 163 HH12 ARG 22 HH12 ARG 22 -1.842 -16.189 0.594 164 HH21 ARG 22 HH21 ARG 22 1.299 -16.930 -0.774 165 HH22 ARG 22 HH22 ARG 22 -0.302 -17.521 -0.451 166 H SER 23 HN SER 23 1.830 -11.549 4.716 167 HA SER 23 HA SER 23 1.679 -13.712 6.644 168 HB2 SER 23 HB2 SER 23 2.252 -10.854 7.469 169 HB3 SER 23 HB1 SER 23 1.990 -12.218 8.552 170 HG SER 23 HG SER 23 3.867 -13.130 7.185 171 H2 PRO 24 HT1 PRO 24 -19.521 14.779 -0.961 172 H3 PRO 24 HT2 PRO 24 -18.196 14.107 -1.641 173 HA PRO 24 HA PRO 24 -16.835 15.684 -1.065 174 HB2 PRO 24 HB2 PRO 24 -18.620 17.883 -0.444 175 HB3 PRO 24 HB1 PRO 24 -17.246 17.836 -1.557 176 HG2 PRO 24 HG2 PRO 24 -20.097 17.453 -2.113 177 HG3 PRO 24 HG1 PRO 24 -18.774 17.817 -3.232 178 HD2 PRO 24 HD2 PRO 24 -20.001 15.417 -3.220 179 HD3 PRO 24 HD1 PRO 24 -18.269 15.576 -3.566 180 H HIS 25 HN HIS 25 -19.890 16.573 0.584 181 HA HIS 25 HA HIS 25 -18.713 15.451 3.040 182 HB2 HIS 25 HB2 HIS 25 -20.305 17.995 2.715 183 HB3 HIS 25 HB1 HIS 25 -20.085 17.208 4.272 184 HD1 HIS 25 HD1 HIS 25 -17.775 17.382 5.378 185 HD2 HIS 25 HD2 HIS 25 -18.021 19.271 1.680 186 HE1 HIS 25 HE1 HIS 25 -15.710 18.811 5.207 187 HE2 HIS 25 HE2 HIS 25 -15.953 20.050 3.026 188 H GLU 26 HN GLU 26 -19.881 13.539 2.172 189 HA GLU 26 HA GLU 26 -22.572 13.496 3.320 190 HB2 GLU 26 HB2 GLU 26 -22.710 13.786 0.816 191 HB3 GLU 26 HB1 GLU 26 -21.915 12.228 0.655 192 HG2 GLU 26 HG2 GLU 26 -24.338 12.059 0.393 193 HG3 GLU 26 HG1 GLU 26 -23.756 11.133 1.777 194 H GLN 27 HN GLN 27 -23.166 11.502 4.176 195 HA GLN 27 HA GLN 27 -20.989 9.749 4.864 196 HB2 GLN 27 HB2 GLN 27 -22.684 8.504 6.147 197 HB3 GLN 27 HB1 GLN 27 -22.718 10.221 6.520 198 HG2 GLN 27 HG2 GLN 27 -24.653 10.509 5.069 199 HG3 GLN 27 HG1 GLN 27 -24.612 8.793 4.669 200 HE21 GLN 27 HE21 GLN 27 -26.704 10.397 5.921 201 HE22 GLN 27 HE22 GLN 27 -27.042 9.636 7.437 202 H GLN 28 HN GLN 28 -20.760 7.582 4.244 203 HA GLN 28 HA GLN 28 -22.510 6.635 2.112 204 HB2 GLN 28 HB2 GLN 28 -19.747 7.518 1.766 205 HB3 GLN 28 HB1 GLN 28 -20.051 5.892 1.160 206 HG2 GLN 28 HG2 GLN 28 -21.705 8.289 0.447 207 HG3 GLN 28 HG1 GLN 28 -20.365 7.679 -0.525 208 HE21 GLN 28 HE21 GLN 28 -20.579 5.715 -1.579 209 HE22 GLN 28 HE22 GLN 28 -22.119 4.956 -1.828 210 H GLU 29 HN GLU 29 -22.152 4.426 1.535 211 HA GLU 29 HA GLU 29 -21.003 2.840 3.737 212 HB2 GLU 29 HB2 GLU 29 -22.716 1.124 3.243 213 HB3 GLU 29 HB1 GLU 29 -23.413 2.643 3.779 214 HG2 GLU 29 HG2 GLU 29 -24.027 3.215 1.527 215 HG3 GLU 29 HG1 GLU 29 -23.210 1.780 0.907 216 H ASP 30 HN ASP 30 -21.023 3.562 0.437 217 HA ASP 30 HA ASP 30 -19.835 1.063 -0.427 218 HB2 ASP 30 HB2 ASP 30 -20.163 3.667 -1.936 219 HB3 ASP 30 HB1 ASP 30 -19.680 2.125 -2.628 220 H VAL 31 HN VAL 31 -18.799 3.704 1.209 221 HA VAL 31 HA VAL 31 -16.291 4.234 0.070 222 HB VAL 31 HB VAL 31 -17.228 5.824 1.609 223 HG11 VAL 31 HG11 VAL 31 -18.537 4.354 3.014 224 HG12 VAL 31 HG12 VAL 31 -17.478 5.354 4.009 225 HG13 VAL 31 HG13 VAL 31 -17.067 3.665 3.706 226 HG21 VAL 31 HG21 VAL 31 -14.781 4.531 2.806 227 HG22 VAL 31 HG22 VAL 31 -15.350 6.165 3.153 228 HG23 VAL 31 HG23 VAL 31 -14.806 5.747 1.528 229 HA PRO 32 HA PRO 32 -14.494 0.302 1.038 230 HB2 PRO 32 HB2 PRO 32 -11.975 0.948 0.163 231 HB3 PRO 32 HB1 PRO 32 -13.291 0.434 -0.897 232 HG2 PRO 32 HG2 PRO 32 -12.264 3.174 -0.337 233 HG3 PRO 32 HG1 PRO 32 -12.853 2.483 -1.857 234 HD2 PRO 32 HD2 PRO 32 -14.339 4.151 -0.308 235 HD3 PRO 32 HD1 PRO 32 -15.055 2.892 -1.332 236 H GLU 33 HN GLU 33 -13.749 -0.382 2.930 237 HA GLU 33 HA GLU 33 -12.336 1.479 4.670 238 HB2 GLU 33 HB2 GLU 33 -14.286 0.357 5.640 239 HB3 GLU 33 HB1 GLU 33 -13.582 -1.213 5.272 240 HG2 GLU 33 HG2 GLU 33 -11.704 -0.690 6.777 241 HG3 GLU 33 HG1 GLU 33 -12.490 0.831 7.193 242 H TYR 34 HN TYR 34 -10.276 1.449 4.020 243 HA TYR 34 HA TYR 34 -8.884 -1.056 3.635 244 HB2 TYR 34 HB2 TYR 34 -7.945 1.811 3.610 245 HB3 TYR 34 HB1 TYR 34 -6.878 0.436 3.362 246 HD1 TYR 34 HD1 TYR 34 -7.479 -1.159 1.416 247 HD2 TYR 34 HD2 TYR 34 -9.033 2.783 1.793 248 HE1 TYR 34 HE1 TYR 34 -7.980 -1.136 -0.989 249 HE2 TYR 34 HE2 TYR 34 -9.544 2.816 -0.610 250 HH TYR 34 HH TYR 34 -9.451 0.017 -2.554 251 H GLU 35 HN GLU 35 -7.341 -1.889 4.980 252 HA GLU 35 HA GLU 35 -7.100 -0.640 7.627 253 HB2 GLU 35 HB2 GLU 35 -8.522 -2.750 7.517 254 HB3 GLU 35 HB1 GLU 35 -7.046 -3.611 7.098 255 HG2 GLU 35 HG2 GLU 35 -6.054 -3.063 9.203 256 HG3 GLU 35 HG1 GLU 35 -7.399 -2.000 9.612 257 H VAL 36 HN VAL 36 -5.111 0.053 7.880 258 HA VAL 36 HA VAL 36 -2.987 -1.114 6.253 259 HB VAL 36 HB VAL 36 -3.185 1.186 5.790 260 HG11 VAL 36 HG11 VAL 36 -3.148 2.936 7.528 261 HG12 VAL 36 HG12 VAL 36 -3.210 1.678 8.763 262 HG13 VAL 36 HG13 VAL 36 -4.557 1.881 7.642 263 HG21 VAL 36 HG21 VAL 36 -0.884 0.493 6.034 264 HG22 VAL 36 HG22 VAL 36 -0.934 0.833 7.763 265 HG23 VAL 36 HG23 VAL 36 -1.069 2.153 6.600 266 H LYS 37 HN LYS 37 -1.303 -2.109 7.087 267 HA LYS 37 HA LYS 37 -0.872 -1.991 9.999 268 HB2 LYS 37 HB2 LYS 37 -0.349 -4.366 8.187 269 HB3 LYS 37 HB1 LYS 37 -0.079 -4.308 9.917 270 HG2 LYS 37 HG2 LYS 37 -2.054 -5.520 9.680 271 HG3 LYS 37 HG1 LYS 37 -2.598 -3.900 10.118 272 HD2 LYS 37 HD2 LYS 37 -3.125 -3.406 7.815 273 HD3 LYS 37 HD1 LYS 37 -2.454 -4.950 7.293 274 HE2 LYS 37 HE2 LYS 37 -4.786 -4.686 9.178 275 HE3 LYS 37 HE1 LYS 37 -4.957 -4.863 7.434 276 HZ1 LYS 37 HZ1 LYS 37 -3.757 -6.977 7.605 277 HZ2 LYS 37 HZ2 LYS 37 -5.186 -6.984 8.499 278 HZ3 LYS 37 HZ3 LYS 37 -3.701 -6.817 9.286 279 H MET 38 HN MET 38 1.365 -2.101 10.626 280 HA MET 38 HA MET 38 3.269 -1.537 8.456 281 HB2 MET 38 HB2 MET 38 2.191 0.487 9.872 282 HB3 MET 38 HB1 MET 38 3.556 0.074 10.904 283 HG2 MET 38 HG2 MET 38 5.106 0.572 9.280 284 HG3 MET 38 HG1 MET 38 3.935 0.468 7.979 285 HE1 MET 38 HE1 MET 38 5.626 2.784 7.514 286 HE2 MET 38 HE2 MET 38 4.452 4.093 7.349 287 HE3 MET 38 HE3 MET 38 4.080 2.482 6.720 288 H LYS 39 HN LYS 39 5.290 -2.368 8.798 289 HA LYS 39 HA LYS 39 5.853 -3.583 11.404 290 HB2 LYS 39 HB2 LYS 39 4.559 -5.140 9.728 291 HB3 LYS 39 HB1 LYS 39 6.127 -5.293 8.955 292 HG2 LYS 39 HG2 LYS 39 5.713 -5.869 11.873 293 HG3 LYS 39 HG1 LYS 39 5.473 -7.086 10.623 294 HD2 LYS 39 HD2 LYS 39 7.774 -6.882 9.925 295 HD3 LYS 39 HD1 LYS 39 8.033 -5.551 11.055 296 HE2 LYS 39 HE2 LYS 39 7.640 -7.032 12.932 297 HE3 LYS 39 HE1 LYS 39 7.276 -8.363 11.835 298 HZ1 LYS 39 HZ1 LYS 39 9.894 -6.964 11.971 299 HZ2 LYS 39 HZ2 LYS 39 9.525 -8.337 11.047 300 HZ3 LYS 39 HZ3 LYS 39 9.547 -8.436 12.734 301 H ARG 40 HN ARG 40 7.963 -3.522 11.911 302 HA ARG 40 HA ARG 40 9.793 -2.446 9.903 303 HB2 ARG 40 HB2 ARG 40 9.912 -2.614 12.904 304 HB3 ARG 40 HB1 ARG 40 11.343 -2.253 11.954 305 HG2 ARG 40 HG2 ARG 40 10.438 -0.195 12.699 306 HG3 ARG 40 HG1 ARG 40 10.106 -0.319 10.973 307 HD2 ARG 40 HD2 ARG 40 8.160 0.522 12.143 308 HD3 ARG 40 HD1 ARG 40 7.836 -1.079 11.473 309 HE ARG 40 HE ARG 40 8.732 -1.399 14.101 310 HH11 ARG 40 HH11 ARG 40 5.976 -0.012 12.442 311 HH12 ARG 40 HH12 ARG 40 4.862 -0.377 13.722 312 HH21 ARG 40 HH21 ARG 40 7.283 -1.855 15.789 313 HH22 ARG 40 HH22 ARG 40 5.610 -1.424 15.632 314 H PHE 41 HN PHE 41 11.408 -3.529 9.062 315 HA PHE 41 HA PHE 41 12.009 -6.217 10.119 316 HB2 PHE 41 HB2 PHE 41 12.189 -5.117 7.313 317 HB3 PHE 41 HB1 PHE 41 13.009 -6.592 7.797 318 HD1 PHE 41 HD1 PHE 41 9.585 -5.105 8.041 319 HD2 PHE 41 HD2 PHE 41 11.970 -8.552 7.327 320 HE1 PHE 41 HE1 PHE 41 7.555 -6.410 7.571 321 HE2 PHE 41 HE2 PHE 41 9.944 -9.862 6.854 322 HZ PHE 41 HZ PHE 41 7.732 -8.790 6.977 323 H LYS 42 HN LYS 42 14.085 -6.743 10.595 324 HA LYS 42 HA LYS 42 16.101 -4.646 10.166 325 HB2 LYS 42 HB2 LYS 42 17.228 -5.607 12.225 326 HB3 LYS 42 HB1 LYS 42 15.737 -4.722 12.502 327 HG2 LYS 42 HG2 LYS 42 14.515 -6.819 12.706 328 HG3 LYS 42 HG1 LYS 42 16.000 -7.719 12.399 329 HD2 LYS 42 HD2 LYS 42 17.000 -6.805 14.414 330 HD3 LYS 42 HD1 LYS 42 15.563 -5.824 14.706 331 HE2 LYS 42 HE2 LYS 42 15.513 -7.780 16.121 332 HE3 LYS 42 HE1 LYS 42 14.230 -7.882 14.919 333 HZ1 LYS 42 HZ1 LYS 42 15.613 -9.387 13.625 334 HZ2 LYS 42 HZ2 LYS 42 15.365 -9.993 15.185 335 HZ3 LYS 42 HZ3 LYS 42 16.846 -9.284 14.781 336 H GLY 43 HN GLY 43 17.698 -5.189 8.876 337 HA2 GLY 43 HA2 GLY 43 19.268 -6.446 7.767 338 HA3 GLY 43 HA1 GLY 43 18.963 -7.738 8.916 339 H ALA 44 HN ALA 44 16.788 -6.170 6.569 340 HA ALA 44 HA ALA 44 16.612 -8.735 5.146 341 HB1 ALA 44 HB1 ALA 44 14.665 -8.536 6.620 342 HB2 ALA 44 HB2 ALA 44 14.195 -8.450 4.922 343 HB3 ALA 44 HB3 ALA 44 14.272 -6.979 5.891 344 H ALA 45 HN ALA 45 15.459 -8.392 2.977 345 HA ALA 45 HA ALA 45 16.831 -6.395 1.498 346 HB1 ALA 45 HB1 ALA 45 14.493 -8.117 0.682 347 HB2 ALA 45 HB2 ALA 45 16.197 -8.542 0.524 348 HB3 ALA 45 HB3 ALA 45 15.533 -7.198 -0.406 349 H TYR 46 HN TYR 46 14.001 -6.358 3.313 350 HA TYR 46 HA TYR 46 13.361 -3.683 2.341 351 HB2 TYR 46 HB2 TYR 46 10.891 -4.470 3.032 352 HB3 TYR 46 HB1 TYR 46 11.504 -4.642 1.389 353 HD1 TYR 46 HD2 TYR 46 11.296 -6.526 4.608 354 HD2 TYR 46 HD1 TYR 46 11.412 -6.703 0.365 355 HE1 TYR 46 HE2 TYR 46 10.937 -8.957 4.708 356 HE2 TYR 46 HE1 TYR 46 11.061 -9.136 0.449 357 HH TYR 46 HH TYR 46 11.346 -10.981 1.969 358 H LYS 47 HN LYS 47 12.856 -2.259 3.959 359 HA LYS 47 HA LYS 47 13.624 -3.223 6.620 360 HB2 LYS 47 HB2 LYS 47 13.468 -0.421 5.488 361 HB3 LYS 47 HB1 LYS 47 13.929 -0.801 7.135 362 HG2 LYS 47 HG2 LYS 47 15.926 -0.389 5.942 363 HG3 LYS 47 HG1 LYS 47 15.842 -2.130 6.195 364 HD2 LYS 47 HD2 LYS 47 16.575 -1.696 3.947 365 HD3 LYS 47 HD1 LYS 47 14.949 -2.376 3.897 366 HE2 LYS 47 HE2 LYS 47 14.079 -0.027 3.721 367 HE3 LYS 47 HE1 LYS 47 15.749 0.508 3.534 368 HZ1 LYS 47 HZ1 LYS 47 14.230 -1.307 1.740 369 HZ2 LYS 47 HZ2 LYS 47 15.892 -1.018 1.600 370 HZ3 LYS 47 HZ3 LYS 47 14.796 0.252 1.379 371 H LEU 48 HN LEU 48 10.989 -2.031 4.806 372 HA LEU 48 HA LEU 48 9.339 -1.998 7.235 373 HB2 LEU 48 HB2 LEU 48 10.160 0.308 6.035 374 HB3 LEU 48 HB1 LEU 48 8.653 0.013 5.191 375 HG LEU 48 HG LEU 48 8.308 1.515 7.071 376 HD11 LEU 48 HD11 LEU 48 6.481 0.037 6.499 377 HD12 LEU 48 HD12 LEU 48 6.540 0.316 8.234 378 HD13 LEU 48 HD13 LEU 48 7.126 -1.205 7.570 379 HD21 LEU 48 HD21 LEU 48 8.623 0.783 9.362 380 HD22 LEU 48 HD22 LEU 48 10.152 0.765 8.483 381 HD23 LEU 48 HD23 LEU 48 9.294 -0.743 8.798 382 H ARG 49 HN ARG 49 7.470 -3.063 7.009 383 HA ARG 49 HA ARG 49 6.505 -3.599 4.274 384 HB2 ARG 49 HB2 ARG 49 7.304 -5.634 5.499 385 HB3 ARG 49 HB1 ARG 49 6.062 -5.335 6.709 386 HG2 ARG 49 HG2 ARG 49 4.344 -5.551 4.958 387 HG3 ARG 49 HG1 ARG 49 5.612 -5.937 3.795 388 HD2 ARG 49 HD2 ARG 49 4.658 -7.994 4.524 389 HD3 ARG 49 HD1 ARG 49 6.253 -7.860 5.260 390 HE ARG 49 HE ARG 49 4.333 -6.830 7.039 391 HH11 ARG 49 HH11 ARG 49 5.338 -9.878 5.645 392 HH12 ARG 49 HH12 ARG 49 4.810 -10.821 7.005 393 HH21 ARG 49 HH21 ARG 49 3.633 -8.077 8.837 394 HH22 ARG 49 HH22 ARG 49 3.858 -9.798 8.814 395 H ILE 50 HN ILE 50 4.633 -2.677 3.823 396 HA ILE 50 HA ILE 50 2.844 -1.949 6.060 397 HB ILE 50 HB ILE 50 3.014 -0.480 3.413 398 HG12 ILE 50 HG12 ILE 50 3.970 1.404 4.822 399 HG13 ILE 50 HG11 ILE 50 4.252 0.212 6.081 400 HG21 ILE 50 HG21 ILE 50 0.855 -0.391 4.561 401 HG22 ILE 50 HG22 ILE 50 1.642 1.187 4.508 402 HG23 ILE 50 HG23 ILE 50 1.657 0.245 5.998 403 HD11 ILE 50 HD11 ILE 50 5.416 0.009 3.322 404 HD12 ILE 50 HD12 ILE 50 5.841 -0.928 4.761 405 HD13 ILE 50 HD13 ILE 50 6.226 0.792 4.679 406 H LEU 51 HN LEU 51 0.813 -2.666 5.946 407 HA LEU 51 HA LEU 51 0.051 -4.156 3.522 408 HB2 LEU 51 HB2 LEU 51 -0.009 -4.864 6.378 409 HB3 LEU 51 HB1 LEU 51 -1.462 -5.270 5.488 410 HG LEU 51 HG LEU 51 0.057 -7.164 5.588 411 HD11 LEU 51 HD11 LEU 51 0.130 -7.682 3.224 412 HD12 LEU 51 HD12 LEU 51 -0.093 -5.979 2.825 413 HD13 LEU 51 HD13 LEU 51 -1.380 -6.871 3.636 414 HD21 LEU 51 HD21 LEU 51 2.214 -7.111 4.438 415 HD22 LEU 51 HD22 LEU 51 2.170 -5.969 5.781 416 HD23 LEU 51 HD23 LEU 51 2.004 -5.388 4.123 417 H ILE 52 HN ILE 52 -1.583 -3.231 2.485 418 HA ILE 52 HA ILE 52 -3.660 -1.915 4.113 419 HB ILE 52 HB ILE 52 -2.899 -1.108 1.300 420 HG12 ILE 52 HG12 ILE 52 -2.229 1.065 2.660 421 HG13 ILE 52 HG11 ILE 52 -1.985 -0.095 3.962 422 HG21 ILE 52 HG21 ILE 52 -4.713 0.191 3.326 423 HG22 ILE 52 HG22 ILE 52 -5.227 -0.702 1.895 424 HG23 ILE 52 HG23 ILE 52 -4.342 0.814 1.716 425 HD11 ILE 52 HD11 ILE 52 0.075 0.402 2.743 426 HD12 ILE 52 HD12 ILE 52 -0.660 -0.221 1.265 427 HD13 ILE 52 HD13 ILE 52 -0.374 -1.299 2.633 428 H GLU 53 HN GLU 53 -5.262 -3.400 4.155 429 HA GLU 53 HA GLU 53 -6.011 -4.616 1.580 430 HB2 GLU 53 HB2 GLU 53 -6.920 -6.475 2.733 431 HB3 GLU 53 HB1 GLU 53 -5.352 -6.168 3.460 432 HG2 GLU 53 HG2 GLU 53 -6.452 -5.010 5.311 433 HG3 GLU 53 HG1 GLU 53 -8.018 -5.374 4.594 434 H ASN 54 HN ASN 54 -8.236 -4.824 1.092 435 HA ASN 54 HA ASN 54 -9.801 -2.600 2.193 436 HB2 ASN 54 HB2 ASN 54 -9.326 -2.778 -0.317 437 HB3 ASN 54 HB1 ASN 54 -10.427 -4.153 -0.297 438 HD21 ASN 54 HD21 ASN 54 -10.996 -1.498 1.839 439 HD22 ASN 54 HD22 ASN 54 -12.365 -0.872 1.001 440 H LYS 55 HN LYS 55 -11.089 -3.217 3.765 441 HA LYS 55 HA LYS 55 -12.730 -5.611 3.378 442 HB2 LYS 55 HB2 LYS 55 -12.459 -5.886 5.938 443 HB3 LYS 55 HB1 LYS 55 -11.161 -6.436 4.889 444 HG2 LYS 55 HG2 LYS 55 -9.869 -4.458 5.352 445 HG3 LYS 55 HG1 LYS 55 -11.200 -3.760 6.278 446 HD2 LYS 55 HD2 LYS 55 -9.893 -6.372 7.005 447 HD3 LYS 55 HD1 LYS 55 -9.331 -4.817 7.621 448 HE2 LYS 55 HE2 LYS 55 -12.184 -5.703 7.883 449 HE3 LYS 55 HE1 LYS 55 -10.961 -6.140 9.073 450 HZ1 LYS 55 HZ1 LYS 55 -12.123 -4.175 9.769 451 HZ2 LYS 55 HZ2 LYS 55 -11.781 -3.381 8.317 452 HZ3 LYS 55 HZ3 LYS 55 -10.523 -3.761 9.398 453 H ALA 56 HN ALA 56 -14.489 -4.329 2.830 454 HA ALA 56 HA ALA 56 -15.746 -3.076 5.174 455 HB1 ALA 56 HB1 ALA 56 -15.678 -1.906 2.393 456 HB2 ALA 56 HB2 ALA 56 -14.954 -1.227 3.851 457 HB3 ALA 56 HB3 ALA 56 -16.706 -1.323 3.698 458 HA PRO 57 HA PRO 57 -19.456 -5.370 4.154 459 HB2 PRO 57 HB2 PRO 57 -21.343 -3.349 4.139 460 HB3 PRO 57 HB1 PRO 57 -20.778 -4.181 5.590 461 HG2 PRO 57 HG2 PRO 57 -19.886 -1.563 4.438 462 HG3 PRO 57 HG1 PRO 57 -20.215 -1.986 6.134 463 HD2 PRO 57 HD2 PRO 57 -17.715 -1.855 5.255 464 HD3 PRO 57 HD1 PRO 57 -18.207 -3.170 6.338 465 H ASN 58 HN ASN 58 -19.160 -2.231 2.609 466 HA ASN 58 HA ASN 58 -19.755 -3.462 0.016 467 HB2 ASN 58 HB2 ASN 58 -20.952 -0.882 1.063 468 HB3 ASN 58 HB1 ASN 58 -21.088 -1.446 -0.600 469 HD21 ASN 58 HD21 ASN 58 -22.013 -2.040 2.709 470 HD22 ASN 58 HD22 ASN 58 -23.330 -3.100 2.357 471 H SER 59 HN SER 59 -17.594 -3.403 -0.501 472 HA SER 59 HA SER 59 -16.171 -0.871 -0.226 473 HB2 SER 59 HB2 SER 59 -15.012 -3.491 -1.164 474 HB3 SER 59 HB1 SER 59 -14.162 -2.111 -0.474 475 HG SER 59 HG SER 59 -15.785 -4.028 0.807 476 H LYS 60 HN LYS 60 -16.365 0.451 -1.854 477 HA LYS 60 HA LYS 60 -16.141 -0.632 -4.572 478 HB2 LYS 60 HB2 LYS 60 -17.861 1.592 -3.512 479 HB3 LYS 60 HB1 LYS 60 -17.448 1.493 -5.218 480 HG2 LYS 60 HG2 LYS 60 -19.567 0.489 -5.003 481 HG3 LYS 60 HG1 LYS 60 -18.423 -0.839 -5.187 482 HD2 LYS 60 HD2 LYS 60 -18.441 -1.172 -2.753 483 HD3 LYS 60 HD1 LYS 60 -19.617 0.131 -2.594 484 HE2 LYS 60 HE2 LYS 60 -20.050 -2.393 -4.184 485 HE3 LYS 60 HE1 LYS 60 -20.636 -2.126 -2.545 486 HZ1 LYS 60 HZ1 LYS 60 -21.916 -0.227 -3.379 487 HZ2 LYS 60 HZ2 LYS 60 -22.371 -1.681 -4.126 488 HZ3 LYS 60 HZ3 LYS 60 -21.398 -0.577 -4.953 489 HA PRO 61 HA PRO 61 -12.571 2.257 -3.918 490 HB2 PRO 61 HB2 PRO 61 -10.702 0.568 -4.904 491 HB3 PRO 61 HB1 PRO 61 -11.212 0.530 -3.213 492 HG2 PRO 61 HG2 PRO 61 -12.045 -1.228 -5.483 493 HG3 PRO 61 HG1 PRO 61 -11.646 -1.668 -3.813 494 HD2 PRO 61 HD2 PRO 61 -14.202 -1.417 -4.709 495 HD3 PRO 61 HD1 PRO 61 -13.724 -1.095 -3.033 496 H ASP 62 HN ASP 62 -11.476 3.387 -5.527 497 HA ASP 62 HA ASP 62 -12.768 3.264 -8.115 498 HB2 ASP 62 HB2 ASP 62 -10.846 5.217 -6.855 499 HB3 ASP 62 HB1 ASP 62 -11.322 5.332 -8.545 500 H ARG 63 HN ARG 63 -9.413 3.209 -6.917 501 HA ARG 63 HA ARG 63 -8.580 1.303 -8.872 502 HB2 ARG 63 HB2 ARG 63 -7.110 2.785 -10.151 503 HB3 ARG 63 HB1 ARG 63 -8.787 3.301 -10.299 504 HG2 ARG 63 HG2 ARG 63 -8.258 4.900 -8.366 505 HG3 ARG 63 HG1 ARG 63 -6.567 4.565 -8.740 506 HD2 ARG 63 HD2 ARG 63 -6.987 5.264 -11.064 507 HD3 ARG 63 HD1 ARG 63 -8.640 5.677 -10.607 508 HE ARG 63 HE ARG 63 -7.315 7.152 -8.873 509 HH11 ARG 63 HH11 ARG 63 -6.671 6.655 -12.274 510 HH12 ARG 63 HH12 ARG 63 -5.926 8.204 -12.491 511 HH21 ARG 63 HH21 ARG 63 -6.320 9.188 -9.149 512 HH22 ARG 63 HH22 ARG 63 -5.721 9.642 -10.710 513 H PHE 64 HN PHE 64 -6.043 1.336 -8.937 514 HA PHE 64 HA PHE 64 -4.947 2.293 -6.386 515 HB2 PHE 64 HB2 PHE 64 -4.415 -0.336 -7.770 516 HB3 PHE 64 HB1 PHE 64 -3.316 0.345 -6.576 517 HD1 PHE 64 HD1 PHE 64 -4.072 0.680 -4.263 518 HD2 PHE 64 HD2 PHE 64 -6.429 -1.409 -7.120 519 HE1 PHE 64 HE1 PHE 64 -5.394 -0.313 -2.438 520 HE2 PHE 64 HE2 PHE 64 -7.759 -2.406 -5.304 521 HZ PHE 64 HZ PHE 64 -7.243 -1.858 -2.958 522 H SER 65 HN SER 65 -3.758 3.979 -6.903 523 HA SER 65 HA SER 65 -1.709 3.661 -8.965 524 HB2 SER 65 HB2 SER 65 -3.505 6.091 -8.710 525 HB3 SER 65 HB1 SER 65 -2.135 5.937 -9.809 526 HG SER 65 HG SER 65 -3.396 3.930 -10.509 527 HA PRO 66 HA PRO 66 -0.056 5.368 -5.043 528 HB2 PRO 66 HB2 PRO 66 1.935 3.599 -4.709 529 HB3 PRO 66 HB1 PRO 66 0.269 3.231 -4.250 530 HG2 PRO 66 HG2 PRO 66 1.806 2.373 -6.660 531 HG3 PRO 66 HG1 PRO 66 0.641 1.463 -5.685 532 HD2 PRO 66 HD2 PRO 66 0.072 2.682 -8.098 533 HD3 PRO 66 HD1 PRO 66 -1.135 2.248 -6.869 534 H SER 67 HN SER 67 1.794 6.560 -4.646 535 HA SER 67 HA SER 67 4.024 6.508 -6.445 536 HB2 SER 67 HB2 SER 67 3.870 8.808 -7.245 537 HB3 SER 67 HB1 SER 67 2.454 7.892 -7.760 538 HG SER 67 HG SER 67 1.583 8.827 -5.638 539 H TYR 68 HN TYR 68 5.791 7.727 -5.698 540 HA TYR 68 HA TYR 68 5.570 8.399 -2.844 541 HB2 TYR 68 HB2 TYR 68 7.042 6.540 -3.123 542 HB3 TYR 68 HB1 TYR 68 7.857 7.305 -4.482 543 HD1 TYR 68 HD1 TYR 68 7.152 7.955 -0.864 544 HD2 TYR 68 HD2 TYR 68 9.902 8.262 -4.107 545 HE1 TYR 68 HE1 TYR 68 8.846 8.895 0.662 546 HE2 TYR 68 HE2 TYR 68 11.589 9.213 -2.589 547 HH TYR 68 HH TYR 68 11.363 9.069 0.752 548 H ASN 69 HN ASN 69 5.929 10.424 -2.260 549 HA ASN 69 HA ASN 69 7.264 12.197 -4.191 550 HB2 ASN 69 HB2 ASN 69 5.737 13.791 -3.715 551 HB3 ASN 69 HB1 ASN 69 4.843 12.500 -2.955 552 HD21 ASN 69 HD21 ASN 69 4.590 12.406 -0.820 553 HD22 ASN 69 HD22 ASN 69 5.092 13.676 0.242 554 H PHE 70 HN PHE 70 9.172 13.005 -3.698 555 HA PHE 70 HA PHE 70 10.512 12.164 -1.307 556 HB2 PHE 70 HB2 PHE 70 11.375 14.058 -3.496 557 HB3 PHE 70 HB1 PHE 70 12.413 13.502 -2.191 558 HD1 PHE 70 HD1 PHE 70 10.378 12.303 -5.046 559 HD2 PHE 70 HD2 PHE 70 13.627 11.541 -2.411 560 HE1 PHE 70 HE1 PHE 70 11.023 10.363 -6.410 561 HE2 PHE 70 HE2 PHE 70 14.279 9.595 -3.767 562 HZ PHE 70 HZ PHE 70 12.977 9.009 -5.770 563 H ALA 71 HN ALA 71 8.771 14.980 -2.256 564 HA ALA 71 HA ALA 71 10.106 16.929 -0.739 565 HB1 ALA 71 HB1 ALA 71 8.103 18.278 -1.023 566 HB2 ALA 71 HB2 ALA 71 7.198 16.852 -1.530 567 HB3 ALA 71 HB3 ALA 71 8.522 17.457 -2.526 568 H GLU 72 HN GLU 72 7.160 15.062 0.027 569 HA GLU 72 HA GLU 72 7.576 15.762 2.850 570 HB2 GLU 72 HB2 GLU 72 5.193 14.265 1.826 571 HB3 GLU 72 HB1 GLU 72 5.328 15.276 3.252 572 HG2 GLU 72 HG2 GLU 72 5.373 16.295 0.423 573 HG3 GLU 72 HG1 GLU 72 3.952 16.277 1.469 574 H ASN 73 HN ASN 73 8.073 13.356 0.565 575 HA ASN 73 HA ASN 73 8.762 11.243 0.577 576 HB2 ASN 73 HB2 ASN 73 9.995 10.293 2.516 577 HB3 ASN 73 HB1 ASN 73 10.613 11.839 1.964 578 HD21 ASN 73 HD21 ASN 73 8.711 10.254 4.439 579 HD22 ASN 73 HD22 ASN 73 8.960 11.457 5.653 580 H ILE 74 HN ILE 74 6.216 11.578 0.691 581 HA ILE 74 HA ILE 74 5.169 9.518 2.519 582 HB ILE 74 HB ILE 74 3.784 11.749 1.022 583 HG12 ILE 74 HG12 ILE 74 3.758 12.848 2.962 584 HG13 ILE 74 HG11 ILE 74 2.893 11.518 3.715 585 HG21 ILE 74 HG21 ILE 74 1.645 10.887 1.826 586 HG22 ILE 74 HG22 ILE 74 2.467 9.475 2.487 587 HG23 ILE 74 HG23 ILE 74 2.448 9.747 0.745 588 HD11 ILE 74 HD11 ILE 74 5.870 11.893 3.577 589 HD12 ILE 74 HD12 ILE 74 5.063 10.478 4.254 590 HD13 ILE 74 HD13 ILE 74 4.836 12.058 4.998 591 H LEU 75 HN LEU 75 4.142 7.730 1.662 592 HA LEU 75 HA LEU 75 4.211 7.441 -1.271 593 HB2 LEU 75 HB2 LEU 75 5.628 5.861 0.052 594 HB3 LEU 75 HB1 LEU 75 4.193 5.299 0.878 595 HG LEU 75 HG LEU 75 5.178 3.861 -1.013 596 HD11 LEU 75 HD11 LEU 75 3.044 3.369 0.001 597 HD12 LEU 75 HD12 LEU 75 2.961 3.122 -1.744 598 HD13 LEU 75 HD13 LEU 75 2.254 4.569 -1.021 599 HD21 LEU 75 HD21 LEU 75 3.702 5.885 -2.677 600 HD22 LEU 75 HD22 LEU 75 4.414 4.377 -3.251 601 HD23 LEU 75 HD23 LEU 75 5.449 5.662 -2.633 602 H TYR 76 HN TYR 76 2.227 8.179 -1.877 603 HA TYR 76 HA TYR 76 -0.085 7.479 -0.254 604 HB2 TYR 76 HB2 TYR 76 -1.033 9.346 -1.061 605 HB3 TYR 76 HB1 TYR 76 0.545 9.725 -1.728 606 HD1 TYR 76 HD1 TYR 76 -2.827 8.487 -2.486 607 HD2 TYR 76 HD2 TYR 76 0.966 9.541 -4.084 608 HE1 TYR 76 HE1 TYR 76 -3.801 8.529 -4.740 609 HE2 TYR 76 HE2 TYR 76 0.002 9.578 -6.344 610 HH TYR 76 HH TYR 76 -1.909 8.615 -7.556 611 H ILE 77 HN ILE 77 -1.850 6.288 -0.992 612 HA ILE 77 HA ILE 77 -0.972 4.216 -2.848 613 HB ILE 77 HB ILE 77 -3.184 4.219 -0.797 614 HG12 ILE 77 HG12 ILE 77 -0.905 4.128 0.130 615 HG13 ILE 77 HG11 ILE 77 -1.768 2.616 0.390 616 HG21 ILE 77 HG21 ILE 77 -2.277 1.982 -2.601 617 HG22 ILE 77 HG22 ILE 77 -3.817 2.837 -2.692 618 HG23 ILE 77 HG23 ILE 77 -3.445 1.837 -1.287 619 HD11 ILE 77 HD11 ILE 77 0.508 2.168 -0.239 620 HD12 ILE 77 HD12 ILE 77 0.335 3.147 -1.696 621 HD13 ILE 77 HD13 ILE 77 -0.572 1.642 -1.530 622 H ASN 78 HN ASN 78 -4.019 6.022 -2.183 623 HA ASN 78 HA ASN 78 -4.584 6.070 -5.004 624 HB2 ASN 78 HB2 ASN 78 -6.731 4.772 -4.799 625 HB3 ASN 78 HB1 ASN 78 -5.255 3.820 -4.696 626 HD21 ASN 78 HD21 ASN 78 -6.437 2.184 -3.663 627 HD22 ASN 78 HD22 ASN 78 -6.872 2.304 -1.996 628 H GLY 79 HN GLY 79 -4.563 7.894 -2.585 629 HA2 GLY 79 HA2 GLY 79 -5.627 9.948 -2.352 630 HA3 GLY 79 HA1 GLY 79 -6.847 9.411 -3.494 631 H LYS 80 HN LYS 80 -7.210 6.917 -1.810 632 HA LYS 80 HA LYS 80 -9.222 8.003 -0.051 633 HB2 LYS 80 HB2 LYS 80 -8.315 5.126 -0.126 634 HB3 LYS 80 HB1 LYS 80 -9.890 5.757 0.327 635 HG2 LYS 80 HG2 LYS 80 -8.736 5.767 -2.451 636 HG3 LYS 80 HG1 LYS 80 -9.925 4.620 -1.839 637 HD2 LYS 80 HD2 LYS 80 -10.323 7.604 -2.074 638 HD3 LYS 80 HD1 LYS 80 -10.956 6.397 -3.192 639 HE2 LYS 80 HE2 LYS 80 -12.167 5.375 -1.240 640 HE3 LYS 80 HE1 LYS 80 -11.678 6.781 -0.294 641 HZ1 LYS 80 HZ1 LYS 80 -13.876 7.111 -1.156 642 HZ2 LYS 80 HZ2 LYS 80 -13.364 6.800 -2.736 643 HZ3 LYS 80 HZ3 LYS 80 -12.826 8.186 -1.932 644 H LEU 81 HN LEU 81 -6.026 6.723 0.032 645 HA LEU 81 HA LEU 81 -5.540 7.956 2.540 646 HB2 LEU 81 HB2 LEU 81 -4.616 5.800 3.575 647 HB3 LEU 81 HB1 LEU 81 -6.336 6.106 3.649 648 HG LEU 81 HG LEU 81 -6.696 4.524 1.793 649 HD11 LEU 81 HD11 LEU 81 -4.921 3.097 1.005 650 HD12 LEU 81 HD12 LEU 81 -3.759 3.904 2.060 651 HD13 LEU 81 HD13 LEU 81 -4.486 4.783 0.714 652 HD21 LEU 81 HD21 LEU 81 -6.875 3.748 4.056 653 HD22 LEU 81 HD22 LEU 81 -5.134 3.482 4.140 654 HD23 LEU 81 HD23 LEU 81 -6.126 2.498 3.063 655 H SER 82 HN SER 82 -3.348 8.091 3.087 656 HA SER 82 HA SER 82 -1.494 7.138 1.020 657 HB2 SER 82 HB2 SER 82 -0.142 9.196 1.447 658 HB3 SER 82 HB1 SER 82 -1.733 9.544 0.779 659 HG SER 82 HG SER 82 -2.433 10.028 2.911 660 H ILE 83 HN ILE 83 0.597 6.511 1.781 661 HA ILE 83 HA ILE 83 0.626 5.884 4.656 662 HB ILE 83 HB ILE 83 2.196 4.595 2.419 663 HG12 ILE 83 HG12 ILE 83 -0.174 4.047 2.252 664 HG13 ILE 83 HG11 ILE 83 0.731 2.641 2.799 665 HG21 ILE 83 HG21 ILE 83 2.831 2.928 4.084 666 HG22 ILE 83 HG22 ILE 83 1.955 3.826 5.324 667 HG23 ILE 83 HG23 ILE 83 3.373 4.539 4.555 668 HD11 ILE 83 HD11 ILE 83 -1.337 2.814 4.018 669 HD12 ILE 83 HD12 ILE 83 -0.952 4.465 4.500 670 HD13 ILE 83 HD13 ILE 83 0.015 3.122 5.107 671 HA PRO 84 HA PRO 84 3.818 9.131 4.561 672 HB2 PRO 84 HB2 PRO 84 3.462 8.879 7.481 673 HB3 PRO 84 HB1 PRO 84 3.378 10.318 6.459 674 HG2 PRO 84 HG2 PRO 84 1.169 9.274 7.507 675 HG3 PRO 84 HG1 PRO 84 1.179 9.924 5.856 676 HD2 PRO 84 HD2 PRO 84 1.348 7.062 6.759 677 HD3 PRO 84 HD1 PRO 84 0.359 7.775 5.463 678 H LEU 85 HN LEU 85 5.933 8.751 4.570 679 HA LEU 85 HA LEU 85 6.880 6.324 5.918 680 HB2 LEU 85 HB2 LEU 85 8.164 7.963 3.730 681 HB3 LEU 85 HB1 LEU 85 8.811 6.477 4.401 682 HG LEU 85 HG LEU 85 6.229 6.731 2.853 683 HD11 LEU 85 HD11 LEU 85 8.165 6.998 1.432 684 HD12 LEU 85 HD12 LEU 85 7.418 5.426 1.149 685 HD13 LEU 85 HD13 LEU 85 8.893 5.542 2.108 686 HD21 LEU 85 HD21 LEU 85 7.610 4.306 3.997 687 HD22 LEU 85 HD22 LEU 85 6.218 4.273 2.916 688 HD23 LEU 85 HD23 LEU 85 6.068 4.982 4.524 689 HA PRO 86 HA PRO 86 9.262 8.738 8.775 690 HB2 PRO 86 HB2 PRO 86 11.223 6.981 9.377 691 HB3 PRO 86 HB1 PRO 86 9.559 6.767 9.932 692 HG2 PRO 86 HG2 PRO 86 10.970 5.484 7.628 693 HG3 PRO 86 HG1 PRO 86 9.878 4.751 8.818 694 HD2 PRO 86 HD2 PRO 86 9.090 5.469 6.314 695 HD3 PRO 86 HD1 PRO 86 7.996 5.466 7.711 696 H ARG 87 HN ARG 87 10.993 10.101 8.793 697 HA ARG 87 HA ARG 87 12.432 10.391 6.303 698 HB2 ARG 87 HB2 ARG 87 12.419 12.027 8.842 699 HB3 ARG 87 HB1 ARG 87 13.455 12.397 7.473 700 HG2 ARG 87 HG2 ARG 87 11.639 13.810 7.200 701 HG3 ARG 87 HG1 ARG 87 11.292 12.473 6.104 702 HD2 ARG 87 HD2 ARG 87 9.284 12.999 7.263 703 HD3 ARG 87 HD1 ARG 87 9.879 11.473 7.903 704 HE ARG 87 HE ARG 87 10.895 13.087 9.695 705 HH11 ARG 87 HH11 ARG 87 7.737 13.273 8.194 706 HH12 ARG 87 HH12 ARG 87 6.992 14.031 9.565 707 HH21 ARG 87 HH21 ARG 87 9.910 14.083 11.503 708 HH22 ARG 87 HH22 ARG 87 8.224 14.497 11.437 709 H ASP 88 HN ASP 88 12.875 8.570 8.978 710 HA ASP 88 HA ASP 88 15.731 8.864 9.288 711 HB2 ASP 88 HB2 ASP 88 14.303 8.281 11.199 712 HB3 ASP 88 HB1 ASP 88 13.788 6.813 10.377 713 H ILE 89 HN ILE 89 13.717 7.405 7.094 714 HA ILE 89 HA ILE 89 15.724 5.370 6.384 715 HB ILE 89 HB ILE 89 12.738 5.283 5.894 716 HG12 ILE 89 HG12 ILE 89 14.482 3.683 7.788 717 HG13 ILE 89 HG11 ILE 89 13.330 4.930 8.252 718 HG21 ILE 89 HG21 ILE 89 13.125 3.011 5.082 719 HG22 ILE 89 HG22 ILE 89 14.860 3.211 5.320 720 HG23 ILE 89 HG23 ILE 89 14.018 4.187 4.116 721 HD11 ILE 89 HD11 ILE 89 11.505 3.571 7.411 722 HD12 ILE 89 HD12 ILE 89 12.445 2.706 8.627 723 HD13 ILE 89 HD13 ILE 89 12.652 2.326 6.917 724 H VAL 90 HN VAL 90 16.505 5.409 4.338 725 HA VAL 90 HA VAL 90 15.634 7.569 2.595 726 HB VAL 90 HB VAL 90 18.017 7.331 2.777 727 HG11 VAL 90 HG11 VAL 90 19.207 5.304 2.059 728 HG12 VAL 90 HG12 VAL 90 17.659 4.485 1.856 729 HG13 VAL 90 HG13 VAL 90 18.172 5.015 3.457 730 HG21 VAL 90 HG21 VAL 90 18.657 7.006 0.422 731 HG22 VAL 90 HG22 VAL 90 17.214 8.005 0.596 732 HG23 VAL 90 HG23 VAL 90 17.064 6.320 0.101 733 H VAL 91 HN VAL 91 14.057 7.265 1.176 734 HA VAL 91 HA VAL 91 13.601 4.529 0.174 735 HB VAL 91 HB VAL 91 11.471 6.571 0.836 736 HG11 VAL 91 HG11 VAL 91 9.896 4.763 0.423 737 HG12 VAL 91 HG12 VAL 91 11.229 3.698 -0.022 738 HG13 VAL 91 HG13 VAL 91 10.862 5.110 -1.011 739 HG21 VAL 91 HG21 VAL 91 12.484 5.707 2.870 740 HG22 VAL 91 HG22 VAL 91 12.247 4.054 2.303 741 HG23 VAL 91 HG23 VAL 91 10.853 5.067 2.673 742 H ASN 92 HN ASN 92 13.278 4.277 -1.927 743 HA ASN 92 HA ASN 92 12.705 6.577 -3.635 744 HB2 ASN 92 HB2 ASN 92 14.477 5.173 -5.187 745 HB3 ASN 92 HB1 ASN 92 14.846 6.661 -4.330 746 HD21 ASN 92 HD21 ASN 92 14.890 3.165 -4.055 747 HD22 ASN 92 HD22 ASN 92 16.261 3.080 -3.003 748 H ALA 93 HN ALA 93 12.180 5.856 -5.876 749 HA ALA 93 HA ALA 93 10.040 4.051 -5.762 750 HB1 ALA 93 HB1 ALA 93 9.859 4.404 -8.153 751 HB2 ALA 93 HB2 ALA 93 11.487 5.083 -8.194 752 HB3 ALA 93 HB3 ALA 93 10.199 5.927 -7.329 753 H ALA 94 HN ALA 94 13.378 3.571 -6.390 754 HA ALA 94 HA ALA 94 13.038 1.029 -7.748 755 HB1 ALA 94 HB1 ALA 94 15.519 2.383 -6.701 756 HB2 ALA 94 HB2 ALA 94 14.913 2.450 -8.355 757 HB3 ALA 94 HB3 ALA 94 15.493 0.924 -7.690 758 H ASP 95 HN ASP 95 12.994 2.100 -4.594 759 HA ASP 95 HA ASP 95 13.987 -0.436 -3.475 760 HB2 ASP 95 HB2 ASP 95 14.809 1.915 -2.727 761 HB3 ASP 95 HB1 ASP 95 13.265 2.023 -1.897 762 H ILE 96 HN ILE 96 11.264 1.550 -3.990 763 HA ILE 96 HA ILE 96 9.512 0.363 -2.057 764 HB ILE 96 HB ILE 96 9.062 2.189 -4.416 765 HG12 ILE 96 HG12 ILE 96 8.792 2.830 -1.489 766 HG13 ILE 96 HG11 ILE 96 10.331 2.967 -2.338 767 HG21 ILE 96 HG21 ILE 96 7.050 0.835 -3.951 768 HG22 ILE 96 HG22 ILE 96 6.801 2.545 -3.603 769 HG23 ILE 96 HG23 ILE 96 7.070 1.406 -2.282 770 HD11 ILE 96 HD11 ILE 96 7.804 4.398 -3.112 771 HD12 ILE 96 HD12 ILE 96 9.399 4.587 -3.846 772 HD13 ILE 96 HD13 ILE 96 9.128 5.098 -2.179 773 H LYS 97 HN LYS 97 8.665 -1.593 -2.270 774 HA LYS 97 HA LYS 97 8.117 -2.631 -4.975 775 HB2 LYS 97 HB2 LYS 97 8.378 -4.261 -2.451 776 HB3 LYS 97 HB1 LYS 97 8.378 -4.843 -4.106 777 HG2 LYS 97 HG2 LYS 97 10.536 -3.239 -2.754 778 HG3 LYS 97 HG1 LYS 97 10.608 -4.939 -3.215 779 HD2 LYS 97 HD2 LYS 97 10.385 -2.587 -5.101 780 HD3 LYS 97 HD1 LYS 97 11.830 -3.554 -4.810 781 HE2 LYS 97 HE2 LYS 97 10.643 -5.538 -5.664 782 HE3 LYS 97 HE1 LYS 97 9.238 -4.531 -6.005 783 HZ1 LYS 97 HZ1 LYS 97 10.542 -3.267 -7.573 784 HZ2 LYS 97 HZ2 LYS 97 10.609 -4.909 -7.972 785 HZ3 LYS 97 HZ3 LYS 97 11.927 -4.171 -7.210 786 H ILE 98 HN ILE 98 6.031 -2.275 -5.441 787 HA ILE 98 HA ILE 98 4.034 -2.668 -3.316 788 HB ILE 98 HB ILE 98 3.786 -1.047 -5.856 789 HG12 ILE 98 HG12 ILE 98 4.164 -0.200 -2.978 790 HG13 ILE 98 HG11 ILE 98 5.329 -0.016 -4.282 791 HG21 ILE 98 HG21 ILE 98 1.657 -1.984 -5.099 792 HG22 ILE 98 HG22 ILE 98 1.698 -0.233 -4.905 793 HG23 ILE 98 HG23 ILE 98 1.914 -1.281 -3.504 794 HD11 ILE 98 HD11 ILE 98 2.675 1.365 -4.032 795 HD12 ILE 98 HD12 ILE 98 3.746 1.482 -5.427 796 HD13 ILE 98 HD13 ILE 98 4.275 2.087 -3.857 797 H PHE 99 HN PHE 99 2.903 -4.472 -3.455 798 HA PHE 99 HA PHE 99 2.178 -5.530 -6.098 799 HB2 PHE 99 HB2 PHE 99 3.298 -7.070 -3.755 800 HB3 PHE 99 HB1 PHE 99 2.428 -7.844 -5.073 801 HD1 PHE 99 HD2 PHE 99 5.446 -5.875 -4.239 802 HD2 PHE 99 HD1 PHE 99 3.486 -8.340 -7.102 803 HE1 PHE 99 HE2 PHE 99 7.534 -6.036 -5.529 804 HE2 PHE 99 HE1 PHE 99 5.572 -8.505 -8.393 805 HZ PHE 99 HZ PHE 99 7.599 -7.353 -7.606 806 H HIS 100 HN HIS 100 0.057 -5.738 -6.275 807 HA HIS 100 HA HIS 100 -1.539 -5.803 -3.804 808 HB2 HIS 100 HB2 HIS 100 -2.020 -3.844 -5.137 809 HB3 HIS 100 HB1 HIS 100 -2.265 -4.829 -6.573 810 HD1 HIS 100 HD1 HIS 100 -4.635 -5.430 -7.065 811 HD2 HIS 100 HD2 HIS 100 -4.066 -4.428 -3.061 812 HE1 HIS 100 HE1 HIS 100 -6.913 -5.465 -6.024 813 HE2 HIS 100 HE2 HIS 100 -6.575 -4.699 -3.653 814 H ILE 101 HN ILE 101 -2.118 -7.822 -3.316 815 HA ILE 101 HA ILE 101 -2.870 -9.699 -5.395 816 HB ILE 101 HB ILE 101 -2.927 -9.932 -2.377 817 HG12 ILE 101 HG12 ILE 101 -1.262 -11.823 -2.996 818 HG13 ILE 101 HG11 ILE 101 -1.104 -10.968 -4.525 819 HG21 ILE 101 HG21 ILE 101 -4.743 -11.239 -3.308 820 HG22 ILE 101 HG22 ILE 101 -3.467 -12.287 -2.688 821 HG23 ILE 101 HG23 ILE 101 -3.626 -12.022 -4.424 822 HD11 ILE 101 HD11 ILE 101 0.646 -10.406 -2.921 823 HD12 ILE 101 HD12 ILE 101 -0.590 -9.801 -1.813 824 HD13 ILE 101 HD13 ILE 101 -0.331 -9.004 -3.366 825 H ARG 102 HN ARG 102 -4.773 -9.406 -6.350 826 HA ARG 102 HA ARG 102 -6.796 -7.782 -5.125 827 HB2 ARG 102 HB2 ARG 102 -8.046 -8.107 -7.207 828 HB3 ARG 102 HB1 ARG 102 -6.394 -7.592 -7.509 829 HG2 ARG 102 HG2 ARG 102 -5.760 -9.826 -8.118 830 HG3 ARG 102 HG1 ARG 102 -7.359 -10.435 -7.685 831 HD2 ARG 102 HD2 ARG 102 -7.280 -10.192 -10.057 832 HD3 ARG 102 HD1 ARG 102 -8.322 -8.929 -9.408 833 HE ARG 102 HE ARG 102 -6.393 -7.398 -9.691 834 HH11 ARG 102 HH11 ARG 102 -6.481 -10.383 -11.520 835 HH12 ARG 102 HH12 ARG 102 -5.557 -9.747 -12.843 836 HH21 ARG 102 HH21 ARG 102 -5.176 -6.549 -11.454 837 HH22 ARG 102 HH22 ARG 102 -4.812 -7.582 -12.807 838 H LYS 103 HN LYS 103 -6.196 -11.163 -5.455 839 HA LYS 103 HA LYS 103 -8.781 -12.178 -5.079 840 HB2 LYS 103 HB2 LYS 103 -6.851 -13.543 -5.759 841 HB3 LYS 103 HB1 LYS 103 -6.137 -13.323 -4.169 842 HG2 LYS 103 HG2 LYS 103 -7.983 -14.539 -3.155 843 HG3 LYS 103 HG1 LYS 103 -8.739 -14.730 -4.738 844 HD2 LYS 103 HD2 LYS 103 -7.584 -16.761 -4.207 845 HD3 LYS 103 HD1 LYS 103 -6.696 -15.943 -5.493 846 HE2 LYS 103 HE2 LYS 103 -5.200 -14.991 -3.713 847 HE3 LYS 103 HE1 LYS 103 -6.007 -16.056 -2.562 848 HZ1 LYS 103 HZ1 LYS 103 -4.425 -16.857 -4.944 849 HZ2 LYS 103 HZ2 LYS 103 -5.334 -17.937 -4.005 850 HZ3 LYS 103 HZ3 LYS 103 -4.028 -17.115 -3.314 851 H GLU 104 HN GLU 104 -6.256 -11.348 -2.731 852 HA GLU 104 HA GLU 104 -8.099 -11.786 -0.520 853 HB2 GLU 104 HB2 GLU 104 -5.281 -10.745 -0.294 854 HB3 GLU 104 HB1 GLU 104 -6.229 -11.599 0.917 855 HG2 GLU 104 HG2 GLU 104 -6.143 -13.605 -0.608 856 HG3 GLU 104 HG1 GLU 104 -4.958 -12.711 -1.562 857 H ARG 105 HN ARG 105 -7.529 -9.428 -2.655 858 HA ARG 105 HA ARG 105 -7.739 -7.176 -2.804 859 HB2 ARG 105 HB2 ARG 105 -9.467 -7.503 -0.342 860 HB3 ARG 105 HB1 ARG 105 -9.512 -6.161 -1.479 861 HG2 ARG 105 HG2 ARG 105 -10.238 -7.698 -3.246 862 HG3 ARG 105 HG1 ARG 105 -10.226 -9.023 -2.081 863 HD2 ARG 105 HD2 ARG 105 -12.464 -8.333 -2.215 864 HD3 ARG 105 HD1 ARG 105 -11.852 -7.642 -0.714 865 HE ARG 105 HE ARG 105 -11.477 -5.663 -2.539 866 HH11 ARG 105 HH11 ARG 105 -14.222 -7.581 -1.546 867 HH12 ARG 105 HH12 ARG 105 -15.386 -6.353 -1.932 868 HH21 ARG 105 HH21 ARG 105 -13.007 -4.043 -3.071 869 HH22 ARG 105 HH22 ARG 105 -14.697 -4.347 -2.824 870 H THR 106 HN THR 106 -5.410 -7.981 -1.574 871 HA THR 106 HA THR 106 -5.083 -6.052 0.628 872 HB THR 106 HB THR 106 -3.729 -8.747 0.403 873 HG1 THR 106 HG1 THR 106 -6.143 -8.473 1.019 874 HG21 THR 106 HG21 THR 106 -3.048 -8.280 2.741 875 HG22 THR 106 HG22 THR 106 -3.722 -6.658 2.581 876 HG23 THR 106 HG23 THR 106 -2.356 -7.146 1.582 877 H LEU 107 HN LEU 107 -3.441 -4.657 0.426 878 HA LEU 107 HA LEU 107 -1.650 -4.991 -1.874 879 HB2 LEU 107 HB2 LEU 107 -3.144 -2.824 -0.962 880 HB3 LEU 107 HB1 LEU 107 -1.502 -2.442 -0.483 881 HG LEU 107 HG LEU 107 -2.476 -2.999 -3.283 882 HD11 LEU 107 HD11 LEU 107 -3.069 -0.800 -2.448 883 HD12 LEU 107 HD12 LEU 107 -1.818 -0.683 -3.686 884 HD13 LEU 107 HD13 LEU 107 -1.392 -0.509 -1.983 885 HD21 LEU 107 HD21 LEU 107 -0.245 -3.923 -2.970 886 HD22 LEU 107 HD22 LEU 107 0.308 -2.384 -2.310 887 HD23 LEU 107 HD23 LEU 107 -0.201 -2.489 -3.996 888 H TYR 108 HN TYR 108 0.267 -5.842 -1.404 889 HA TYR 108 HA TYR 108 1.444 -5.439 1.233 890 HB2 TYR 108 HB2 TYR 108 2.236 -7.199 -1.093 891 HB3 TYR 108 HB1 TYR 108 3.162 -7.070 0.399 892 HD1 TYR 108 HD1 TYR 108 -0.205 -7.963 -0.901 893 HD2 TYR 108 HD2 TYR 108 2.638 -8.417 2.227 894 HE1 TYR 108 HE1 TYR 108 -1.623 -9.677 0.120 895 HE2 TYR 108 HE2 TYR 108 1.228 -10.142 3.264 896 HH TYR 108 HH TYR 108 -1.253 -10.718 3.266 897 H ILE 109 HN ILE 109 2.789 -3.850 1.598 898 HA ILE 109 HA ILE 109 4.354 -2.712 -0.630 899 HB ILE 109 HB ILE 109 3.764 -1.457 2.053 900 HG12 ILE 109 HG12 ILE 109 1.684 -1.744 0.769 901 HG13 ILE 109 HG11 ILE 109 2.121 -0.047 0.923 902 HG21 ILE 109 HG21 ILE 109 5.788 -0.630 0.979 903 HG22 ILE 109 HG22 ILE 109 4.537 0.611 1.027 904 HG23 ILE 109 HG23 ILE 109 4.867 -0.250 -0.478 905 HD11 ILE 109 HD11 ILE 109 2.960 -0.035 -1.343 906 HD12 ILE 109 HD12 ILE 109 1.289 -0.599 -1.304 907 HD13 ILE 109 HD13 ILE 109 2.607 -1.755 -1.502 908 H TYR 110 HN TYR 110 6.479 -3.164 -0.613 909 HA TYR 110 HA TYR 110 7.771 -3.678 1.988 910 HB2 TYR 110 HB2 TYR 110 8.456 -4.934 -0.680 911 HB3 TYR 110 HB1 TYR 110 9.351 -5.171 0.812 912 HD1 TYR 110 HD1 TYR 110 6.178 -5.878 -0.928 913 HD2 TYR 110 HD2 TYR 110 8.600 -6.723 2.467 914 HE1 TYR 110 HE1 TYR 110 4.763 -7.817 -0.405 915 HE2 TYR 110 HE2 TYR 110 7.185 -8.660 3.001 916 HH TYR 110 HH TYR 110 5.073 -9.581 2.575 917 H ILE 111 HN ILE 111 9.434 -2.374 2.454 918 HA ILE 111 HA ILE 111 10.761 -0.942 0.257 919 HB ILE 111 HB ILE 111 9.878 0.371 2.839 920 HG12 ILE 111 HG12 ILE 111 8.882 0.816 0.012 921 HG13 ILE 111 HG11 ILE 111 8.003 -0.048 1.268 922 HG21 ILE 111 HG21 ILE 111 10.696 2.444 1.776 923 HG22 ILE 111 HG22 ILE 111 11.299 1.488 0.422 924 HG23 ILE 111 HG23 ILE 111 11.982 1.263 2.032 925 HD11 ILE 111 HD11 ILE 111 8.776 2.859 1.324 926 HD12 ILE 111 HD12 ILE 111 7.914 2.000 2.601 927 HD13 ILE 111 HD13 ILE 111 7.165 2.208 1.017 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 7.496 20.813 -9.811 2 H2 GLY 1 HT2 GLY 1 5.929 20.777 -10.433 3 H3 GLY 1 HT3 GLY 1 6.425 19.599 -9.326 4 HA2 GLY 1 HA1 GLY 1 6.093 22.491 -8.777 5 HA3 GLY 1 HA2 GLY 1 5.023 21.207 -8.236 6 HA PRO 2 HA PRO 2 8.318 22.198 -5.001 7 HB2 PRO 2 HB2 PRO 2 6.501 22.482 -2.954 8 HB3 PRO 2 HB1 PRO 2 7.141 23.815 -3.918 9 HG2 PRO 2 HG2 PRO 2 4.539 22.375 -4.164 10 HG3 PRO 2 HG1 PRO 2 4.888 24.102 -4.354 11 HD2 PRO 2 HD2 PRO 2 4.517 22.467 -6.466 12 HD3 PRO 2 HD1 PRO 2 5.642 23.839 -6.518 13 H HIS 3 HN HIS 3 5.592 20.022 -5.219 14 HA HIS 3 HA HIS 3 6.758 18.270 -3.181 15 HB2 HIS 3 HB2 HIS 3 4.140 18.094 -4.689 16 HB3 HIS 3 HB1 HIS 3 4.702 16.879 -3.554 17 HD1 HIS 3 HD1 HIS 3 3.767 17.137 -1.277 18 HD2 HIS 3 HD2 HIS 3 3.938 20.761 -3.308 19 HE1 HIS 3 HE1 HIS 3 2.733 18.829 0.266 20 HE2 HIS 3 HE2 HIS 3 2.668 20.965 -1.068 21 H MET 4 HN MET 4 8.633 17.738 -4.447 22 HA MET 4 HA MET 4 8.600 16.553 -6.977 23 HB2 MET 4 HB2 MET 4 10.664 17.257 -5.845 24 HB3 MET 4 HB1 MET 4 10.462 15.970 -4.667 25 HG2 MET 4 HG2 MET 4 10.603 14.339 -6.560 26 HG3 MET 4 HG1 MET 4 11.039 15.691 -7.603 27 HE1 MET 4 HE1 MET 4 12.791 17.459 -5.564 28 HE2 MET 4 HE2 MET 4 13.243 17.174 -7.245 29 HE3 MET 4 HE3 MET 4 14.411 16.884 -5.957 30 H SER 5 HN SER 5 7.899 14.633 -7.695 31 HA SER 5 HA SER 5 7.537 12.426 -5.846 32 HB2 SER 5 HB2 SER 5 5.119 12.193 -6.538 33 HB3 SER 5 HB1 SER 5 5.472 13.573 -5.500 34 HG SER 5 HG SER 5 5.201 13.631 -8.329 35 H VAL 6 HN VAL 6 7.332 10.436 -6.775 36 HA VAL 6 HA VAL 6 7.347 10.289 -9.716 37 HB VAL 6 HB VAL 6 8.814 8.258 -9.501 38 HG11 VAL 6 HG11 VAL 6 9.956 10.896 -8.604 39 HG12 VAL 6 HG12 VAL 6 9.757 10.336 -10.265 40 HG13 VAL 6 HG13 VAL 6 10.907 9.533 -9.194 41 HG21 VAL 6 HG21 VAL 6 8.487 7.716 -7.183 42 HG22 VAL 6 HG22 VAL 6 9.134 9.277 -6.681 43 HG23 VAL 6 HG23 VAL 6 10.192 8.088 -7.440 44 H GLN 7 HN GLN 7 6.175 8.584 -10.584 45 HA GLN 7 HA GLN 7 4.188 7.502 -8.767 46 HB2 GLN 7 HB2 GLN 7 2.914 6.897 -10.686 47 HB3 GLN 7 HB1 GLN 7 3.545 8.507 -10.977 48 HG2 GLN 7 HG2 GLN 7 4.732 5.978 -12.093 49 HG3 GLN 7 HG1 GLN 7 3.609 7.025 -12.956 50 HE21 GLN 7 HE21 GLN 7 6.841 6.620 -11.792 51 HE22 GLN 7 HE22 GLN 7 7.538 7.964 -12.640 52 H ILE 8 HN ILE 8 3.940 5.376 -8.244 53 HA ILE 8 HA ILE 8 6.139 3.623 -9.116 54 HB ILE 8 HB ILE 8 4.430 3.084 -6.707 55 HG12 ILE 8 HG12 ILE 8 5.328 5.332 -6.362 56 HG13 ILE 8 HG11 ILE 8 6.134 4.185 -5.302 57 HG21 ILE 8 HG21 ILE 8 6.396 1.823 -5.981 58 HG22 ILE 8 HG22 ILE 8 7.252 2.313 -7.442 59 HG23 ILE 8 HG23 ILE 8 5.828 1.277 -7.559 60 HD11 ILE 8 HD11 ILE 8 7.719 5.749 -6.214 61 HD12 ILE 8 HD12 ILE 8 7.227 5.334 -7.856 62 HD13 ILE 8 HD13 ILE 8 8.037 4.134 -6.847 63 HA PRO 9 HA PRO 9 2.820 1.386 -11.155 64 HB2 PRO 9 HB2 PRO 9 4.409 -0.519 -12.261 65 HB3 PRO 9 HB1 PRO 9 4.184 1.085 -12.961 66 HG2 PRO 9 HG2 PRO 9 6.454 0.023 -11.348 67 HG3 PRO 9 HG1 PRO 9 6.482 1.138 -12.724 68 HD2 PRO 9 HD2 PRO 9 6.733 1.926 -10.116 69 HD3 PRO 9 HD1 PRO 9 6.086 2.966 -11.400 70 H VAL 10 HN VAL 10 1.568 0.012 -10.142 71 HA VAL 10 HA VAL 10 2.735 -1.778 -8.150 72 HB VAL 10 HB VAL 10 1.020 -0.494 -7.169 73 HG11 VAL 10 HG11 VAL 10 -0.035 0.357 -9.181 74 HG12 VAL 10 HG12 VAL 10 -1.244 -0.295 -8.076 75 HG13 VAL 10 HG13 VAL 10 -0.754 -1.223 -9.492 76 HG21 VAL 10 HG21 VAL 10 -0.272 -3.121 -7.895 77 HG22 VAL 10 HG22 VAL 10 -0.642 -2.115 -6.494 78 HG23 VAL 10 HG23 VAL 10 0.931 -2.900 -6.627 79 H VAL 11 HN VAL 11 2.850 -3.885 -8.423 80 HA VAL 11 HA VAL 11 1.739 -5.046 -10.856 81 HB VAL 11 HB VAL 11 3.608 -6.252 -8.805 82 HG11 VAL 11 HG11 VAL 11 2.290 -7.911 -10.051 83 HG12 VAL 11 HG12 VAL 11 4.009 -7.996 -10.430 84 HG13 VAL 11 HG13 VAL 11 2.892 -7.235 -11.564 85 HG21 VAL 11 HG21 VAL 11 4.642 -4.373 -9.952 86 HG22 VAL 11 HG22 VAL 11 4.197 -5.062 -11.513 87 HG23 VAL 11 HG23 VAL 11 5.362 -5.893 -10.482 88 H GLU 12 HN GLU 12 -0.032 -6.318 -10.841 89 HA GLU 12 HA GLU 12 -1.176 -6.982 -8.234 90 HB2 GLU 12 HB2 GLU 12 -2.450 -7.090 -10.971 91 HB3 GLU 12 HB1 GLU 12 -3.269 -7.380 -9.440 92 HG2 GLU 12 HG2 GLU 12 -2.642 -5.055 -8.772 93 HG3 GLU 12 HG1 GLU 12 -2.072 -4.810 -10.418 94 H VAL 13 HN VAL 13 -0.623 -8.835 -7.471 95 HA VAL 13 HA VAL 13 -0.537 -11.187 -9.237 96 HB VAL 13 HB VAL 13 1.375 -12.029 -7.767 97 HG11 VAL 13 HG11 VAL 13 1.762 -11.414 -10.058 98 HG12 VAL 13 HG12 VAL 13 3.087 -10.795 -9.071 99 HG13 VAL 13 HG13 VAL 13 1.817 -9.706 -9.630 100 HG21 VAL 13 HG21 VAL 13 1.179 -10.390 -5.977 101 HG22 VAL 13 HG22 VAL 13 1.557 -9.089 -7.106 102 HG23 VAL 13 HG23 VAL 13 2.776 -10.305 -6.721 103 H ASP 14 HN ASP 14 -0.327 -13.231 -7.745 104 HA ASP 14 HA ASP 14 -2.444 -12.971 -5.735 105 HB2 ASP 14 HB2 ASP 14 -1.395 -15.401 -7.193 106 HB3 ASP 14 HB1 ASP 14 -2.642 -15.450 -5.951 107 H GLU 15 HN GLU 15 0.874 -13.293 -5.998 108 HA GLU 15 HA GLU 15 1.158 -13.431 -3.160 109 HB2 GLU 15 HB2 GLU 15 2.468 -15.434 -2.995 110 HB3 GLU 15 HB1 GLU 15 0.938 -15.849 -3.749 111 HG2 GLU 15 HG2 GLU 15 1.997 -15.890 -5.932 112 HG3 GLU 15 HG1 GLU 15 3.532 -15.409 -5.212 113 H LEU 16 HN LEU 16 3.347 -12.961 -2.492 114 HA LEU 16 HA LEU 16 4.798 -11.409 -4.428 115 HB2 LEU 16 HB2 LEU 16 5.471 -12.010 -1.546 116 HB3 LEU 16 HB1 LEU 16 6.234 -10.798 -2.550 117 HG LEU 16 HG LEU 16 4.844 -9.495 -1.307 118 HD11 LEU 16 HD11 LEU 16 2.881 -8.857 -2.598 119 HD12 LEU 16 HD12 LEU 16 3.048 -10.323 -3.564 120 HD13 LEU 16 HD13 LEU 16 4.300 -9.083 -3.621 121 HD21 LEU 16 HD21 LEU 16 2.582 -10.130 -0.578 122 HD22 LEU 16 HD22 LEU 16 3.842 -11.215 0.005 123 HD23 LEU 16 HD23 LEU 16 2.811 -11.705 -1.340 124 HA PRO 17 HA PRO 17 8.010 -14.281 -5.606 125 HB2 PRO 17 HB2 PRO 17 9.809 -12.076 -4.717 126 HB3 PRO 17 HB1 PRO 17 9.815 -12.993 -6.222 127 HG2 PRO 17 HG2 PRO 17 8.856 -10.517 -6.159 128 HG3 PRO 17 HG1 PRO 17 8.065 -11.773 -7.130 129 HD2 PRO 17 HD2 PRO 17 7.224 -10.582 -4.529 130 HD3 PRO 17 HD1 PRO 17 6.240 -11.172 -5.876 131 H GLU 18 HN GLU 18 9.953 -15.304 -4.752 132 HA GLU 18 HA GLU 18 9.657 -15.960 -1.986 133 HB2 GLU 18 HB2 GLU 18 11.718 -16.753 -4.046 134 HB3 GLU 18 HB1 GLU 18 11.698 -17.375 -2.400 135 HG2 GLU 18 HG2 GLU 18 9.530 -18.363 -2.750 136 HG3 GLU 18 HG1 GLU 18 9.433 -17.648 -4.358 137 H GLY 19 HN GLY 19 10.750 -15.237 -0.271 138 HA2 GLY 19 HA2 GLY 19 12.675 -14.145 0.728 139 HA3 GLY 19 HA1 GLY 19 12.856 -13.226 -0.764 140 H TYR 20 HN TYR 20 9.679 -13.318 -0.440 141 HA TYR 20 HA TYR 20 9.550 -10.814 1.063 142 HB2 TYR 20 HB2 TYR 20 7.713 -12.147 -0.903 143 HB3 TYR 20 HB1 TYR 20 7.130 -10.866 0.152 144 HD1 TYR 20 HD1 TYR 20 9.294 -11.661 -2.705 145 HD2 TYR 20 HD2 TYR 20 7.846 -8.581 -0.155 146 HE1 TYR 20 HE1 TYR 20 10.075 -9.971 -4.304 147 HE2 TYR 20 HE2 TYR 20 8.629 -6.883 -1.748 148 HH TYR 20 HH TYR 20 9.644 -7.688 -4.918 149 H ASP 21 HN ASP 21 7.940 -10.489 2.649 150 HA ASP 21 HA ASP 21 7.231 -12.959 4.086 151 HB2 ASP 21 HB2 ASP 21 8.832 -11.436 5.240 152 HB3 ASP 21 HB1 ASP 21 7.613 -10.167 5.198 153 H ARG 22 HN ARG 22 5.196 -13.393 3.384 154 HA ARG 22 HA ARG 22 3.289 -11.185 3.196 155 HB2 ARG 22 HB2 ARG 22 3.351 -12.548 1.224 156 HB3 ARG 22 HB1 ARG 22 3.172 -14.021 2.166 157 HG2 ARG 22 HG2 ARG 22 0.931 -13.514 2.711 158 HG3 ARG 22 HG1 ARG 22 1.084 -11.865 2.113 159 HD2 ARG 22 HD2 ARG 22 -0.179 -13.264 0.582 160 HD3 ARG 22 HD1 ARG 22 1.310 -12.686 -0.155 161 HE ARG 22 HE ARG 22 2.175 -14.848 -0.102 162 HH11 ARG 22 HH11 ARG 22 -1.042 -14.746 1.293 163 HH12 ARG 22 HH12 ARG 22 -1.270 -16.464 1.197 164 HH21 ARG 22 HH21 ARG 22 1.877 -17.096 -0.222 165 HH22 ARG 22 HH22 ARG 22 0.396 -17.799 0.346 166 H SER 23 HN SER 23 1.405 -11.106 4.286 167 HA SER 23 HA SER 23 0.925 -13.149 6.336 168 HB2 SER 23 HB2 SER 23 -0.207 -11.309 7.625 169 HB3 SER 23 HB1 SER 23 1.528 -11.066 7.422 170 HG SER 23 HG SER 23 -0.379 -9.953 5.650 171 H2 PRO 24 HT1 PRO 24 -24.337 16.019 6.461 172 H3 PRO 24 HT2 PRO 24 -22.745 15.971 6.080 173 HA PRO 24 HA PRO 24 -22.292 14.294 7.354 174 HB2 PRO 24 HB2 PRO 24 -24.369 14.261 9.336 175 HB3 PRO 24 HB1 PRO 24 -22.628 14.484 9.567 176 HG2 PRO 24 HG2 PRO 24 -24.767 16.504 9.313 177 HG3 PRO 24 HG1 PRO 24 -23.183 16.633 10.099 178 HD2 PRO 24 HD2 PRO 24 -23.676 17.897 7.795 179 HD3 PRO 24 HD1 PRO 24 -22.096 17.151 8.099 180 H HIS 25 HN HIS 25 -23.413 12.165 7.841 181 HA HIS 25 HA HIS 25 -24.549 10.425 6.944 182 HB2 HIS 25 HB2 HIS 25 -26.779 12.456 7.091 183 HB3 HIS 25 HB1 HIS 25 -27.043 10.777 6.628 184 HD1 HIS 25 HD1 HIS 25 -26.825 8.984 8.490 185 HD2 HIS 25 HD2 HIS 25 -26.272 12.889 9.803 186 HE1 HIS 25 HE1 HIS 25 -26.864 8.868 10.998 187 HE2 HIS 25 HE2 HIS 25 -26.369 11.209 11.767 188 H GLU 26 HN GLU 26 -22.973 11.521 5.199 189 HA GLU 26 HA GLU 26 -24.460 11.456 2.668 190 HB2 GLU 26 HB2 GLU 26 -22.908 13.204 1.807 191 HB3 GLU 26 HB1 GLU 26 -23.949 13.781 3.102 192 HG2 GLU 26 HG2 GLU 26 -22.029 13.301 4.675 193 HG3 GLU 26 HG1 GLU 26 -21.033 13.088 3.238 194 H GLN 27 HN GLN 27 -22.969 9.470 4.202 195 HA GLN 27 HA GLN 27 -20.688 8.979 2.415 196 HB2 GLN 27 HB2 GLN 27 -19.766 7.581 4.177 197 HB3 GLN 27 HB1 GLN 27 -20.112 9.182 4.813 198 HG2 GLN 27 HG2 GLN 27 -22.165 8.344 5.825 199 HG3 GLN 27 HG1 GLN 27 -21.839 6.741 5.169 200 HE21 GLN 27 HE21 GLN 27 -21.770 5.775 7.170 201 HE22 GLN 27 HE22 GLN 27 -20.472 6.024 8.282 202 H GLN 28 HN GLN 28 -20.453 6.932 1.495 203 HA GLN 28 HA GLN 28 -22.906 5.332 1.475 204 HB2 GLN 28 HB2 GLN 28 -20.886 5.972 -0.530 205 HB3 GLN 28 HB1 GLN 28 -21.240 4.252 -0.446 206 HG2 GLN 28 HG2 GLN 28 -23.124 6.507 -1.039 207 HG3 GLN 28 HG1 GLN 28 -22.688 5.141 -2.063 208 HE21 GLN 28 HE21 GLN 28 -23.518 3.057 -1.541 209 HE22 GLN 28 HE22 GLN 28 -24.960 2.909 -0.584 210 H GLU 29 HN GLU 29 -22.583 2.987 1.208 211 HA GLU 29 HA GLU 29 -20.695 2.010 3.212 212 HB2 GLU 29 HB2 GLU 29 -22.062 -0.062 3.097 213 HB3 GLU 29 HB1 GLU 29 -23.003 1.365 3.508 214 HG2 GLU 29 HG2 GLU 29 -23.566 1.504 1.031 215 HG3 GLU 29 HG1 GLU 29 -22.930 -0.138 0.922 216 H ASP 30 HN ASP 30 -20.927 2.407 -0.044 217 HA ASP 30 HA ASP 30 -19.434 0.083 -0.883 218 HB2 ASP 30 HB2 ASP 30 -20.013 2.648 -2.387 219 HB3 ASP 30 HB1 ASP 30 -19.406 1.151 -3.082 220 H VAL 31 HN VAL 31 -18.798 3.042 0.545 221 HA VAL 31 HA VAL 31 -16.317 3.775 -0.502 222 HB VAL 31 HB VAL 31 -17.372 4.148 2.309 223 HG11 VAL 31 HG11 VAL 31 -14.958 4.452 2.222 224 HG12 VAL 31 HG12 VAL 31 -15.773 5.997 2.465 225 HG13 VAL 31 HG13 VAL 31 -15.136 5.576 0.875 226 HG21 VAL 31 HG21 VAL 31 -18.008 6.389 1.525 227 HG22 VAL 31 HG22 VAL 31 -18.845 5.115 0.637 228 HG23 VAL 31 HG23 VAL 31 -17.483 5.957 -0.103 229 HA PRO 32 HA PRO 32 -14.110 0.149 0.803 230 HB2 PRO 32 HB2 PRO 32 -11.630 1.069 0.036 231 HB3 PRO 32 HB1 PRO 32 -12.789 0.283 -1.042 232 HG2 PRO 32 HG2 PRO 32 -12.174 3.174 -0.699 233 HG3 PRO 32 HG1 PRO 32 -12.595 2.279 -2.168 234 HD2 PRO 32 HD2 PRO 32 -14.355 3.869 -0.840 235 HD3 PRO 32 HD1 PRO 32 -14.857 2.440 -1.764 236 H GLU 33 HN GLU 33 -13.441 -0.333 2.739 237 HA GLU 33 HA GLU 33 -12.224 1.725 4.422 238 HB2 GLU 33 HB2 GLU 33 -14.315 0.812 5.298 239 HB3 GLU 33 HB1 GLU 33 -13.685 -0.823 5.159 240 HG2 GLU 33 HG2 GLU 33 -12.007 -0.340 6.831 241 HG3 GLU 33 HG1 GLU 33 -12.576 1.325 6.955 242 H TYR 34 HN TYR 34 -10.098 1.536 4.022 243 HA TYR 34 HA TYR 34 -8.871 -1.076 3.797 244 HB2 TYR 34 HB2 TYR 34 -7.717 1.705 3.642 245 HB3 TYR 34 HB1 TYR 34 -6.780 0.232 3.423 246 HD1 TYR 34 HD2 TYR 34 -7.461 -1.331 1.526 247 HD2 TYR 34 HD1 TYR 34 -8.846 2.676 1.840 248 HE1 TYR 34 HE2 TYR 34 -8.028 -1.350 -0.863 249 HE2 TYR 34 HE1 TYR 34 -9.416 2.672 -0.551 250 HH TYR 34 HH TYR 34 -9.494 -0.178 -2.414 251 H GLU 35 HN GLU 35 -7.202 -1.830 5.101 252 HA GLU 35 HA GLU 35 -6.981 -0.581 7.758 253 HB2 GLU 35 HB2 GLU 35 -8.192 -2.805 7.674 254 HB3 GLU 35 HB1 GLU 35 -6.684 -3.522 7.127 255 HG2 GLU 35 HG2 GLU 35 -5.621 -2.688 9.226 256 HG3 GLU 35 HG1 GLU 35 -7.225 -2.205 9.773 257 H VAL 36 HN VAL 36 -5.055 0.380 7.843 258 HA VAL 36 HA VAL 36 -2.820 -0.651 6.279 259 HB VAL 36 HB VAL 36 -3.024 1.873 7.933 260 HG11 VAL 36 HG11 VAL 36 -0.944 1.028 5.919 261 HG12 VAL 36 HG12 VAL 36 -0.721 1.095 7.668 262 HG13 VAL 36 HG13 VAL 36 -1.009 2.578 6.756 263 HG21 VAL 36 HG21 VAL 36 -3.243 3.021 5.774 264 HG22 VAL 36 HG22 VAL 36 -4.576 1.903 6.060 265 HG23 VAL 36 HG23 VAL 36 -3.276 1.460 4.954 266 H LYS 37 HN LYS 37 -1.283 -1.890 7.131 267 HA LYS 37 HA LYS 37 -0.807 -1.754 10.036 268 HB2 LYS 37 HB2 LYS 37 -0.520 -4.197 8.272 269 HB3 LYS 37 HB1 LYS 37 -0.167 -4.126 9.990 270 HG2 LYS 37 HG2 LYS 37 -2.248 -5.128 9.916 271 HG3 LYS 37 HG1 LYS 37 -2.635 -3.439 10.245 272 HD2 LYS 37 HD2 LYS 37 -4.073 -3.700 8.531 273 HD3 LYS 37 HD1 LYS 37 -2.643 -3.425 7.549 274 HE2 LYS 37 HE2 LYS 37 -3.795 -5.344 6.703 275 HE3 LYS 37 HE1 LYS 37 -2.292 -5.871 7.457 276 HZ1 LYS 37 HZ1 LYS 37 -3.442 -6.706 9.304 277 HZ2 LYS 37 HZ2 LYS 37 -4.349 -7.210 7.968 278 HZ3 LYS 37 HZ3 LYS 37 -4.876 -5.899 8.902 279 H MET 38 HN MET 38 1.312 -1.618 10.681 280 HA MET 38 HA MET 38 3.269 -1.329 8.493 281 HB2 MET 38 HB2 MET 38 2.320 0.686 10.091 282 HB3 MET 38 HB1 MET 38 3.795 0.216 10.928 283 HG2 MET 38 HG2 MET 38 5.137 0.934 9.265 284 HG3 MET 38 HG1 MET 38 3.972 0.553 8.006 285 HE1 MET 38 HE1 MET 38 5.428 3.019 7.394 286 HE2 MET 38 HE2 MET 38 4.150 4.205 7.123 287 HE3 MET 38 HE3 MET 38 3.947 2.543 6.562 288 H LYS 39 HN LYS 39 5.305 -2.203 8.806 289 HA LYS 39 HA LYS 39 5.914 -3.414 11.397 290 HB2 LYS 39 HB2 LYS 39 4.550 -4.971 9.747 291 HB3 LYS 39 HB1 LYS 39 6.120 -5.185 8.991 292 HG2 LYS 39 HG2 LYS 39 5.650 -5.675 11.917 293 HG3 LYS 39 HG1 LYS 39 5.421 -6.917 10.687 294 HD2 LYS 39 HD2 LYS 39 7.733 -6.767 10.037 295 HD3 LYS 39 HD1 LYS 39 7.988 -5.400 11.123 296 HE2 LYS 39 HE2 LYS 39 8.847 -7.489 12.068 297 HE3 LYS 39 HE1 LYS 39 7.542 -6.817 13.043 298 HZ1 LYS 39 HZ1 LYS 39 7.352 -9.221 12.732 299 HZ2 LYS 39 HZ2 LYS 39 7.225 -9.004 11.061 300 HZ3 LYS 39 HZ3 LYS 39 6.023 -8.400 12.087 301 H ARG 40 HN ARG 40 8.070 -3.495 11.802 302 HA ARG 40 HA ARG 40 9.806 -2.341 9.746 303 HB2 ARG 40 HB2 ARG 40 10.026 -2.556 12.738 304 HB3 ARG 40 HB1 ARG 40 11.420 -2.162 11.748 305 HG2 ARG 40 HG2 ARG 40 10.482 -0.137 12.598 306 HG3 ARG 40 HG1 ARG 40 10.186 -0.209 10.861 307 HD2 ARG 40 HD2 ARG 40 8.213 0.586 12.038 308 HD3 ARG 40 HD1 ARG 40 7.907 -0.977 11.281 309 HE ARG 40 HE ARG 40 8.705 -1.536 13.858 310 HH11 ARG 40 HH11 ARG 40 6.112 0.287 12.374 311 HH12 ARG 40 HH12 ARG 40 4.989 -0.017 13.660 312 HH21 ARG 40 HH21 ARG 40 7.229 -1.930 15.557 313 HH22 ARG 40 HH22 ARG 40 5.625 -1.275 15.470 314 H PHE 41 HN PHE 41 11.482 -3.373 8.882 315 HA PHE 41 HA PHE 41 12.125 -6.068 9.904 316 HB2 PHE 41 HB2 PHE 41 12.013 -5.057 7.065 317 HB3 PHE 41 HB1 PHE 41 12.919 -6.497 7.502 318 HD1 PHE 41 HD1 PHE 41 9.508 -5.036 7.833 319 HD2 PHE 41 HD2 PHE 41 11.890 -8.535 7.443 320 HE1 PHE 41 HE1 PHE 41 7.471 -6.398 7.650 321 HE2 PHE 41 HE2 PHE 41 9.855 -9.907 7.262 322 HZ PHE 41 HZ PHE 41 7.640 -8.837 7.364 323 H LYS 42 HN LYS 42 14.293 -6.696 9.914 324 HA LYS 42 HA LYS 42 16.250 -4.574 9.398 325 HB2 LYS 42 HB2 LYS 42 17.415 -5.191 11.519 326 HB3 LYS 42 HB1 LYS 42 15.854 -4.421 11.755 327 HG2 LYS 42 HG2 LYS 42 14.865 -6.678 12.100 328 HG3 LYS 42 HG1 LYS 42 16.496 -7.347 12.029 329 HD2 LYS 42 HD2 LYS 42 17.144 -5.938 13.931 330 HD3 LYS 42 HD1 LYS 42 15.501 -5.302 14.009 331 HE2 LYS 42 HE2 LYS 42 14.689 -7.627 14.373 332 HE3 LYS 42 HE1 LYS 42 16.369 -8.153 14.452 333 HZ1 LYS 42 HZ1 LYS 42 15.067 -6.207 16.277 334 HZ2 LYS 42 HZ2 LYS 42 16.691 -6.667 16.343 335 HZ3 LYS 42 HZ3 LYS 42 15.479 -7.804 16.654 336 H GLY 43 HN GLY 43 17.768 -5.285 8.096 337 HA2 GLY 43 HA2 GLY 43 19.390 -6.692 7.220 338 HA3 GLY 43 HA1 GLY 43 18.916 -7.914 8.393 339 H ALA 44 HN ALA 44 16.540 -6.399 6.358 340 HA ALA 44 HA ALA 44 16.382 -8.871 4.757 341 HB1 ALA 44 HB1 ALA 44 14.111 -7.104 5.672 342 HB2 ALA 44 HB2 ALA 44 14.500 -8.705 6.301 343 HB3 ALA 44 HB3 ALA 44 13.957 -8.520 4.634 344 H ALA 45 HN ALA 45 15.116 -8.447 2.652 345 HA ALA 45 HA ALA 45 16.518 -6.512 1.140 346 HB1 ALA 45 HB1 ALA 45 14.013 -8.029 0.416 347 HB2 ALA 45 HB2 ALA 45 15.666 -8.599 0.183 348 HB3 ALA 45 HB3 ALA 45 15.085 -7.194 -0.709 349 H TYR 46 HN TYR 46 13.799 -6.280 3.120 350 HA TYR 46 HA TYR 46 13.300 -3.557 2.185 351 HB2 TYR 46 HB2 TYR 46 10.853 -4.147 3.080 352 HB3 TYR 46 HB1 TYR 46 11.319 -4.442 1.406 353 HD1 TYR 46 HD2 TYR 46 11.000 -6.082 4.724 354 HD2 TYR 46 HD1 TYR 46 11.260 -6.601 0.510 355 HE1 TYR 46 HE2 TYR 46 10.497 -8.472 4.993 356 HE2 TYR 46 HE1 TYR 46 10.766 -8.996 0.769 357 HH TYR 46 HH TYR 46 10.951 -10.731 2.515 358 H LYS 47 HN LYS 47 12.798 -2.106 3.839 359 HA LYS 47 HA LYS 47 13.705 -3.036 6.476 360 HB2 LYS 47 HB2 LYS 47 13.576 -0.249 5.303 361 HB3 LYS 47 HB1 LYS 47 14.068 -0.607 6.947 362 HG2 LYS 47 HG2 LYS 47 16.047 -0.264 5.698 363 HG3 LYS 47 HG1 LYS 47 15.928 -1.997 5.998 364 HD2 LYS 47 HD2 LYS 47 16.625 -1.630 3.722 365 HD3 LYS 47 HD1 LYS 47 14.988 -2.285 3.727 366 HE2 LYS 47 HE2 LYS 47 14.166 0.095 3.522 367 HE3 LYS 47 HE1 LYS 47 15.841 0.561 3.234 368 HZ1 LYS 47 HZ1 LYS 47 15.854 -0.993 1.340 369 HZ2 LYS 47 HZ2 LYS 47 14.721 0.248 1.147 370 HZ3 LYS 47 HZ3 LYS 47 14.208 -1.302 1.595 371 H LEU 48 HN LEU 48 11.038 -1.828 4.732 372 HA LEU 48 HA LEU 48 9.436 -1.817 7.193 373 HB2 LEU 48 HB2 LEU 48 10.203 0.507 6.002 374 HB3 LEU 48 HB1 LEU 48 8.703 0.191 5.155 375 HG LEU 48 HG LEU 48 8.351 1.687 7.051 376 HD11 LEU 48 HD11 LEU 48 7.150 -1.043 7.430 377 HD12 LEU 48 HD12 LEU 48 6.502 0.278 6.460 378 HD13 LEU 48 HD13 LEU 48 6.582 0.427 8.213 379 HD21 LEU 48 HD21 LEU 48 8.660 0.951 9.326 380 HD22 LEU 48 HD22 LEU 48 10.192 0.875 8.453 381 HD23 LEU 48 HD23 LEU 48 9.278 -0.601 8.769 382 H ARG 49 HN ARG 49 7.543 -2.853 6.991 383 HA ARG 49 HA ARG 49 6.553 -3.434 4.274 384 HB2 ARG 49 HB2 ARG 49 7.384 -5.441 5.561 385 HB3 ARG 49 HB1 ARG 49 6.107 -5.137 6.732 386 HG2 ARG 49 HG2 ARG 49 4.471 -5.330 4.825 387 HG3 ARG 49 HG1 ARG 49 5.816 -5.918 3.845 388 HD2 ARG 49 HD2 ARG 49 4.694 -7.833 4.671 389 HD3 ARG 49 HD1 ARG 49 6.181 -7.680 5.606 390 HE ARG 49 HE ARG 49 4.299 -6.349 7.078 391 HH11 ARG 49 HH11 ARG 49 4.594 -9.599 5.802 392 HH12 ARG 49 HH12 ARG 49 3.653 -10.315 7.070 393 HH21 ARG 49 HH21 ARG 49 3.054 -7.297 8.739 394 HH22 ARG 49 HH22 ARG 49 2.779 -9.009 8.738 395 H ILE 50 HN ILE 50 4.570 -2.697 3.837 396 HA ILE 50 HA ILE 50 2.834 -1.960 6.110 397 HB ILE 50 HB ILE 50 2.871 -0.487 3.461 398 HG12 ILE 50 HG12 ILE 50 3.784 1.441 4.826 399 HG13 ILE 50 HG11 ILE 50 4.139 0.281 6.095 400 HG21 ILE 50 HG21 ILE 50 0.743 -0.475 4.639 401 HG22 ILE 50 HG22 ILE 50 1.473 1.131 4.625 402 HG23 ILE 50 HG23 ILE 50 1.541 0.145 6.085 403 HD11 ILE 50 HD11 ILE 50 5.260 0.086 3.318 404 HD12 ILE 50 HD12 ILE 50 5.757 -0.805 4.764 405 HD13 ILE 50 HD13 ILE 50 6.060 0.929 4.644 406 H LEU 51 HN LEU 51 0.820 -2.765 6.043 407 HA LEU 51 HA LEU 51 0.060 -4.254 3.621 408 HB2 LEU 51 HB2 LEU 51 0.059 -4.956 6.471 409 HB3 LEU 51 HB1 LEU 51 -1.450 -5.312 5.656 410 HG LEU 51 HG LEU 51 0.055 -7.250 5.718 411 HD11 LEU 51 HD11 LEU 51 -0.350 -6.144 2.949 412 HD12 LEU 51 HD12 LEU 51 -1.564 -6.991 3.907 413 HD13 LEU 51 HD13 LEU 51 -0.111 -7.840 3.375 414 HD21 LEU 51 HD21 LEU 51 2.196 -6.103 5.662 415 HD22 LEU 51 HD22 LEU 51 1.872 -5.542 4.023 416 HD23 LEU 51 HD23 LEU 51 2.082 -7.264 4.340 417 H ILE 52 HN ILE 52 -1.555 -3.302 2.581 418 HA ILE 52 HA ILE 52 -3.606 -1.931 4.200 419 HB ILE 52 HB ILE 52 -2.875 -1.233 1.349 420 HG12 ILE 52 HG12 ILE 52 -2.150 0.971 2.631 421 HG13 ILE 52 HG11 ILE 52 -1.893 -0.156 3.961 422 HG21 ILE 52 HG21 ILE 52 -5.186 -0.768 1.971 423 HG22 ILE 52 HG22 ILE 52 -4.278 0.723 1.721 424 HG23 ILE 52 HG23 ILE 52 -4.629 0.168 3.357 425 HD11 ILE 52 HD11 ILE 52 -0.353 -1.438 2.590 426 HD12 ILE 52 HD12 ILE 52 0.151 0.249 2.712 427 HD13 ILE 52 HD13 ILE 52 -0.624 -0.336 1.240 428 H GLU 53 HN GLU 53 -5.200 -3.392 4.315 429 HA GLU 53 HA GLU 53 -5.981 -4.755 1.830 430 HB2 GLU 53 HB2 GLU 53 -6.955 -6.492 3.173 431 HB3 GLU 53 HB1 GLU 53 -5.316 -6.213 3.736 432 HG2 GLU 53 HG2 GLU 53 -6.243 -4.792 5.539 433 HG3 GLU 53 HG1 GLU 53 -7.856 -5.269 5.029 434 H ASN 54 HN ASN 54 -8.203 -4.963 1.371 435 HA ASN 54 HA ASN 54 -9.744 -2.651 2.299 436 HB2 ASN 54 HB2 ASN 54 -9.296 -3.243 -0.204 437 HB3 ASN 54 HB1 ASN 54 -10.550 -4.452 0.037 438 HD21 ASN 54 HD21 ASN 54 -12.024 -2.720 1.931 439 HD22 ASN 54 HD22 ASN 54 -12.791 -1.529 0.944 440 H LYS 55 HN LYS 55 -11.075 -3.040 3.929 441 HA LYS 55 HA LYS 55 -12.735 -5.460 3.823 442 HB2 LYS 55 HB2 LYS 55 -12.590 -5.427 6.392 443 HB3 LYS 55 HB1 LYS 55 -11.222 -6.075 5.500 444 HG2 LYS 55 HG2 LYS 55 -9.873 -4.275 5.991 445 HG3 LYS 55 HG1 LYS 55 -11.237 -3.197 6.279 446 HD2 LYS 55 HD2 LYS 55 -10.750 -5.542 8.075 447 HD3 LYS 55 HD1 LYS 55 -9.836 -4.050 8.290 448 HE2 LYS 55 HE2 LYS 55 -11.697 -3.886 9.739 449 HE3 LYS 55 HE1 LYS 55 -12.055 -2.846 8.362 450 HZ1 LYS 55 HZ1 LYS 55 -13.514 -4.482 7.482 451 HZ2 LYS 55 HZ2 LYS 55 -13.942 -4.228 9.096 452 HZ3 LYS 55 HZ3 LYS 55 -13.075 -5.611 8.658 453 H ALA 56 HN ALA 56 -14.479 -4.356 3.095 454 HA ALA 56 HA ALA 56 -15.791 -2.579 5.017 455 HB1 ALA 56 HB1 ALA 56 -16.601 -1.195 3.073 456 HB2 ALA 56 HB2 ALA 56 -15.416 -2.037 2.075 457 HB3 ALA 56 HB3 ALA 56 -14.880 -1.046 3.435 458 HA PRO 57 HA PRO 57 -19.438 -5.015 4.289 459 HB2 PRO 57 HB2 PRO 57 -21.342 -3.121 3.596 460 HB3 PRO 57 HB1 PRO 57 -20.900 -3.557 5.249 461 HG2 PRO 57 HG2 PRO 57 -19.988 -1.248 3.589 462 HG3 PRO 57 HG1 PRO 57 -20.383 -1.303 5.317 463 HD2 PRO 57 HD2 PRO 57 -17.845 -1.276 4.482 464 HD3 PRO 57 HD1 PRO 57 -18.340 -2.249 5.875 465 H ASN 58 HN ASN 58 -19.041 -2.412 1.940 466 HA ASN 58 HA ASN 58 -19.473 -4.333 -0.236 467 HB2 ASN 58 HB2 ASN 58 -20.805 -1.619 -0.037 468 HB3 ASN 58 HB1 ASN 58 -20.865 -2.676 -1.443 469 HD21 ASN 58 HD21 ASN 58 -21.883 -2.236 1.855 470 HD22 ASN 58 HD22 ASN 58 -23.179 -3.381 1.817 471 H SER 59 HN SER 59 -17.056 -4.037 -0.061 472 HA SER 59 HA SER 59 -15.858 -1.532 -0.493 473 HB2 SER 59 HB2 SER 59 -13.841 -2.959 -1.152 474 HB3 SER 59 HB1 SER 59 -14.504 -3.220 0.461 475 HG SER 59 HG SER 59 -14.331 -5.229 -0.321 476 H LYS 60 HN LYS 60 -16.028 -0.308 -2.189 477 HA LYS 60 HA LYS 60 -15.881 -1.559 -4.845 478 HB2 LYS 60 HB2 LYS 60 -17.569 0.754 -3.913 479 HB3 LYS 60 HB1 LYS 60 -17.281 0.419 -5.615 480 HG2 LYS 60 HG2 LYS 60 -18.332 -1.787 -3.930 481 HG3 LYS 60 HG1 LYS 60 -19.424 -0.462 -4.327 482 HD2 LYS 60 HD2 LYS 60 -19.721 -2.137 -5.988 483 HD3 LYS 60 HD1 LYS 60 -18.832 -0.816 -6.738 484 HE2 LYS 60 HE2 LYS 60 -17.928 -2.982 -7.397 485 HE3 LYS 60 HE1 LYS 60 -16.752 -2.053 -6.476 486 HZ1 LYS 60 HZ1 LYS 60 -18.452 -4.220 -5.365 487 HZ2 LYS 60 HZ2 LYS 60 -17.252 -3.369 -4.529 488 HZ3 LYS 60 HZ3 LYS 60 -16.831 -4.389 -5.809 489 HA PRO 61 HA PRO 61 -12.413 1.523 -4.425 490 HB2 PRO 61 HB2 PRO 61 -10.485 -0.140 -5.366 491 HB3 PRO 61 HB1 PRO 61 -10.920 -0.051 -3.655 492 HG2 PRO 61 HG2 PRO 61 -11.739 -2.056 -5.719 493 HG3 PRO 61 HG1 PRO 61 -11.261 -2.316 -4.031 494 HD2 PRO 61 HD2 PRO 61 -13.850 -2.293 -4.843 495 HD3 PRO 61 HD1 PRO 61 -13.344 -1.769 -3.226 496 H ASP 62 HN ASP 62 -11.580 2.672 -6.116 497 HA ASP 62 HA ASP 62 -12.769 2.136 -8.712 498 HB2 ASP 62 HB2 ASP 62 -11.045 4.464 -7.836 499 HB3 ASP 62 HB1 ASP 62 -11.970 4.359 -9.330 500 H ARG 63 HN ARG 63 -9.538 2.815 -7.418 501 HA ARG 63 HA ARG 63 -8.297 0.873 -9.095 502 HB2 ARG 63 HB2 ARG 63 -6.950 2.476 -10.409 503 HB3 ARG 63 HB1 ARG 63 -8.667 2.581 -10.783 504 HG2 ARG 63 HG2 ARG 63 -8.736 4.480 -9.080 505 HG3 ARG 63 HG1 ARG 63 -6.977 4.481 -9.199 506 HD2 ARG 63 HD2 ARG 63 -8.836 4.739 -11.546 507 HD3 ARG 63 HD1 ARG 63 -8.116 6.109 -10.701 508 HE ARG 63 HE ARG 63 -6.003 4.498 -11.390 509 HH11 ARG 63 HH11 ARG 63 -8.592 6.067 -13.145 510 HH12 ARG 63 HH12 ARG 63 -7.630 6.344 -14.562 511 HH21 ARG 63 HH21 ARG 63 -4.734 4.861 -13.252 512 HH22 ARG 63 HH22 ARG 63 -5.438 5.653 -14.626 513 H PHE 64 HN PHE 64 -5.845 1.232 -9.014 514 HA PHE 64 HA PHE 64 -5.053 2.430 -6.451 515 HB2 PHE 64 HB2 PHE 64 -4.265 -0.229 -7.628 516 HB3 PHE 64 HB1 PHE 64 -3.241 0.590 -6.453 517 HD1 PHE 64 HD1 PHE 64 -4.005 0.936 -4.173 518 HD2 PHE 64 HD2 PHE 64 -6.320 -1.274 -6.971 519 HE1 PHE 64 HE1 PHE 64 -5.339 0.001 -2.325 520 HE2 PHE 64 HE2 PHE 64 -7.658 -2.214 -5.134 521 HZ PHE 64 HZ PHE 64 -7.167 -1.577 -2.807 522 H SER 65 HN SER 65 -3.853 4.138 -6.888 523 HA SER 65 HA SER 65 -1.881 3.940 -9.055 524 HB2 SER 65 HB2 SER 65 -3.936 5.209 -9.768 525 HB3 SER 65 HB1 SER 65 -3.599 6.373 -8.490 526 HG SER 65 HG SER 65 -1.534 6.697 -9.538 527 HA PRO 66 HA PRO 66 -0.022 5.429 -5.110 528 HB2 PRO 66 HB2 PRO 66 1.978 3.651 -4.950 529 HB3 PRO 66 HB1 PRO 66 0.332 3.256 -4.443 530 HG2 PRO 66 HG2 PRO 66 1.757 2.549 -6.971 531 HG3 PRO 66 HG1 PRO 66 0.670 1.563 -5.981 532 HD2 PRO 66 HD2 PRO 66 -0.077 2.872 -8.285 533 HD3 PRO 66 HD1 PRO 66 -1.196 2.400 -6.989 534 H SER 67 HN SER 67 1.779 6.647 -4.753 535 HA SER 67 HA SER 67 3.981 6.698 -6.612 536 HB2 SER 67 HB2 SER 67 2.389 9.240 -6.242 537 HB3 SER 67 HB1 SER 67 3.812 9.012 -7.250 538 HG SER 67 HG SER 67 1.951 7.214 -7.934 539 H TYR 68 HN TYR 68 5.785 7.828 -5.793 540 HA TYR 68 HA TYR 68 5.604 8.330 -2.902 541 HB2 TYR 68 HB2 TYR 68 7.095 6.513 -3.321 542 HB3 TYR 68 HB1 TYR 68 7.891 7.381 -4.628 543 HD1 TYR 68 HD1 TYR 68 7.172 7.868 -0.983 544 HD2 TYR 68 HD2 TYR 68 9.966 8.243 -4.173 545 HE1 TYR 68 HE1 TYR 68 8.851 8.734 0.594 546 HE2 TYR 68 HE2 TYR 68 11.645 9.114 -2.598 547 HH TYR 68 HH TYR 68 11.257 8.979 0.787 548 H ASN 69 HN ASN 69 5.821 10.342 -2.241 549 HA ASN 69 HA ASN 69 7.135 12.261 -4.028 550 HB2 ASN 69 HB2 ASN 69 6.081 13.975 -2.423 551 HB3 ASN 69 HB1 ASN 69 5.023 13.133 -3.548 552 HD21 ASN 69 HD21 ASN 69 5.853 13.653 -0.253 553 HD22 ASN 69 HD22 ASN 69 4.540 12.773 0.434 554 H PHE 70 HN PHE 70 9.156 12.641 -3.653 555 HA PHE 70 HA PHE 70 10.581 11.766 -1.388 556 HB2 PHE 70 HB2 PHE 70 11.333 13.799 -3.504 557 HB3 PHE 70 HB1 PHE 70 12.452 13.153 -2.313 558 HD1 PHE 70 HD2 PHE 70 10.411 12.332 -5.263 559 HD2 PHE 70 HD1 PHE 70 13.439 11.018 -2.578 560 HE1 PHE 70 HE2 PHE 70 10.950 10.480 -6.784 561 HE2 PHE 70 HE1 PHE 70 13.988 9.163 -4.099 562 HZ PHE 70 HZ PHE 70 12.741 8.891 -6.206 563 H ALA 71 HN ALA 71 9.068 14.766 -2.221 564 HA ALA 71 HA ALA 71 10.332 16.577 -0.566 565 HB1 ALA 71 HB1 ALA 71 8.713 17.186 -2.283 566 HB2 ALA 71 HB2 ALA 71 8.285 17.896 -0.726 567 HB3 ALA 71 HB3 ALA 71 7.416 16.481 -1.320 568 H GLU 72 HN GLU 72 7.535 14.527 0.164 569 HA GLU 72 HA GLU 72 7.773 15.308 2.993 570 HB2 GLU 72 HB2 GLU 72 5.359 13.950 1.860 571 HB3 GLU 72 HB1 GLU 72 5.474 15.036 3.237 572 HG2 GLU 72 HG2 GLU 72 5.787 16.926 1.772 573 HG3 GLU 72 HG1 GLU 72 5.810 15.858 0.369 574 H ASN 73 HN ASN 73 8.793 13.038 1.040 575 HA ASN 73 HA ASN 73 9.268 10.833 1.030 576 HB2 ASN 73 HB2 ASN 73 10.136 9.894 3.165 577 HB3 ASN 73 HB1 ASN 73 10.819 11.463 2.761 578 HD21 ASN 73 HD21 ASN 73 8.601 9.759 4.844 579 HD22 ASN 73 HD22 ASN 73 8.482 10.991 6.052 580 H ILE 74 HN ILE 74 6.600 11.192 0.808 581 HA ILE 74 HA ILE 74 5.478 9.033 2.476 582 HB ILE 74 HB ILE 74 4.143 11.490 1.352 583 HG12 ILE 74 HG12 ILE 74 4.252 10.533 4.201 584 HG13 ILE 74 HG11 ILE 74 5.536 11.509 3.504 585 HG21 ILE 74 HG21 ILE 74 2.621 9.615 1.066 586 HG22 ILE 74 HG22 ILE 74 2.058 10.681 2.355 587 HG23 ILE 74 HG23 ILE 74 2.848 9.156 2.755 588 HD11 ILE 74 HD11 ILE 74 3.988 12.852 4.764 589 HD12 ILE 74 HD12 ILE 74 2.651 12.300 3.753 590 HD13 ILE 74 HD13 ILE 74 3.942 13.281 3.056 591 H LEU 75 HN LEU 75 4.287 7.450 1.539 592 HA LEU 75 HA LEU 75 4.305 7.325 -1.402 593 HB2 LEU 75 HB2 LEU 75 5.632 5.606 -0.165 594 HB3 LEU 75 HB1 LEU 75 4.169 5.088 0.638 595 HG LEU 75 HG LEU 75 5.012 3.640 -1.265 596 HD11 LEU 75 HD11 LEU 75 2.787 3.346 -0.409 597 HD12 LEU 75 HD12 LEU 75 2.759 3.217 -2.168 598 HD13 LEU 75 HD13 LEU 75 2.195 4.693 -1.381 599 HD21 LEU 75 HD21 LEU 75 3.927 5.909 -2.918 600 HD22 LEU 75 HD22 LEU 75 4.407 4.326 -3.529 601 HD23 LEU 75 HD23 LEU 75 5.610 5.398 -2.817 602 H TYR 76 HN TYR 76 2.325 8.119 -2.016 603 HA TYR 76 HA TYR 76 0.007 7.482 -0.373 604 HB2 TYR 76 HB2 TYR 76 -0.987 9.328 -1.230 605 HB3 TYR 76 HB1 TYR 76 0.648 9.759 -1.700 606 HD1 TYR 76 HD2 TYR 76 1.354 9.563 -4.048 607 HD2 TYR 76 HD1 TYR 76 -2.642 8.705 -2.863 608 HE1 TYR 76 HE2 TYR 76 0.621 9.726 -6.392 609 HE2 TYR 76 HE1 TYR 76 -3.377 8.869 -5.204 610 HH TYR 76 HH TYR 76 -1.306 8.768 -7.785 611 H ILE 77 HN ILE 77 -1.743 6.287 -1.051 612 HA ILE 77 HA ILE 77 -1.128 4.372 -3.174 613 HB ILE 77 HB ILE 77 -3.239 4.304 -1.010 614 HG12 ILE 77 HG12 ILE 77 -0.964 4.020 -0.146 615 HG13 ILE 77 HG11 ILE 77 -1.866 2.512 -0.036 616 HG21 ILE 77 HG21 ILE 77 -3.999 3.132 -2.992 617 HG22 ILE 77 HG22 ILE 77 -3.626 1.987 -1.701 618 HG23 ILE 77 HG23 ILE 77 -2.499 2.207 -3.040 619 HD11 ILE 77 HD11 ILE 77 0.372 2.056 -0.757 620 HD12 ILE 77 HD12 ILE 77 0.229 3.218 -2.074 621 HD13 ILE 77 HD13 ILE 77 -0.734 1.742 -2.094 622 H ASN 78 HN ASN 78 -3.822 6.379 -2.037 623 HA ASN 78 HA ASN 78 -4.506 7.182 -4.671 624 HB2 ASN 78 HB2 ASN 78 -6.871 6.249 -4.568 625 HB3 ASN 78 HB1 ASN 78 -5.602 5.087 -4.927 626 HD21 ASN 78 HD21 ASN 78 -6.925 3.394 -4.258 627 HD22 ASN 78 HD22 ASN 78 -7.225 3.080 -2.586 628 H GLY 79 HN GLY 79 -7.100 8.063 -4.262 629 HA2 GLY 79 HA2 GLY 79 -6.635 10.290 -2.545 630 HA3 GLY 79 HA1 GLY 79 -8.134 9.921 -3.380 631 H LYS 80 HN LYS 80 -7.463 7.185 -1.727 632 HA LYS 80 HA LYS 80 -9.452 7.850 0.281 633 HB2 LYS 80 HB2 LYS 80 -8.098 5.190 -0.189 634 HB3 LYS 80 HB1 LYS 80 -9.600 5.484 0.675 635 HG2 LYS 80 HG2 LYS 80 -9.169 5.930 -2.265 636 HG3 LYS 80 HG1 LYS 80 -9.960 4.521 -1.550 637 HD2 LYS 80 HD2 LYS 80 -11.648 6.029 -0.549 638 HD3 LYS 80 HD1 LYS 80 -10.885 7.388 -1.371 639 HE2 LYS 80 HE2 LYS 80 -11.352 6.310 -3.533 640 HE3 LYS 80 HE1 LYS 80 -12.154 4.988 -2.686 641 HZ1 LYS 80 HZ1 LYS 80 -13.739 6.623 -1.788 642 HZ2 LYS 80 HZ2 LYS 80 -13.781 6.556 -3.478 643 HZ3 LYS 80 HZ3 LYS 80 -12.998 7.838 -2.702 644 H LEU 81 HN LEU 81 -6.107 6.805 0.021 645 HA LEU 81 HA LEU 81 -5.489 7.996 2.534 646 HB2 LEU 81 HB2 LEU 81 -4.526 5.828 3.483 647 HB3 LEU 81 HB1 LEU 81 -6.248 6.109 3.608 648 HG LEU 81 HG LEU 81 -6.609 4.593 1.675 649 HD11 LEU 81 HD11 LEU 81 -4.384 4.871 0.641 650 HD12 LEU 81 HD12 LEU 81 -4.831 3.180 0.876 651 HD13 LEU 81 HD13 LEU 81 -3.680 3.949 1.970 652 HD21 LEU 81 HD21 LEU 81 -6.054 2.527 2.898 653 HD22 LEU 81 HD22 LEU 81 -6.841 3.746 3.901 654 HD23 LEU 81 HD23 LEU 81 -5.100 3.488 4.027 655 H SER 82 HN SER 82 -3.305 8.125 3.026 656 HA SER 82 HA SER 82 -1.472 7.228 0.913 657 HB2 SER 82 HB2 SER 82 -0.099 9.269 1.456 658 HB3 SER 82 HB1 SER 82 -1.662 9.626 0.721 659 HG SER 82 HG SER 82 -2.462 10.061 2.824 660 H ILE 83 HN ILE 83 0.599 6.521 1.627 661 HA ILE 83 HA ILE 83 0.609 5.736 4.462 662 HB ILE 83 HB ILE 83 2.179 4.558 2.164 663 HG12 ILE 83 HG12 ILE 83 -0.197 4.097 1.891 664 HG13 ILE 83 HG11 ILE 83 0.641 2.628 2.376 665 HG21 ILE 83 HG21 ILE 83 1.843 3.610 5.007 666 HG22 ILE 83 HG22 ILE 83 3.305 4.298 4.300 667 HG23 ILE 83 HG23 ILE 83 2.696 2.746 3.726 668 HD11 ILE 83 HD11 ILE 83 -1.470 2.826 3.529 669 HD12 ILE 83 HD12 ILE 83 -1.008 4.409 4.153 670 HD13 ILE 83 HD13 ILE 83 -0.139 2.967 4.676 671 HA PRO 84 HA PRO 84 3.973 8.751 4.571 672 HB2 PRO 84 HB2 PRO 84 3.965 9.097 7.248 673 HB3 PRO 84 HB1 PRO 84 2.807 9.897 6.181 674 HG2 PRO 84 HG2 PRO 84 2.451 7.480 7.896 675 HG3 PRO 84 HG1 PRO 84 1.318 8.808 7.582 676 HD2 PRO 84 HD2 PRO 84 1.198 6.354 6.356 677 HD3 PRO 84 HD1 PRO 84 0.551 7.848 5.652 678 H LEU 85 HN LEU 85 6.060 8.287 4.658 679 HA LEU 85 HA LEU 85 6.840 5.752 5.902 680 HB2 LEU 85 HB2 LEU 85 8.342 7.455 3.913 681 HB3 LEU 85 HB1 LEU 85 8.772 5.836 4.429 682 HG LEU 85 HG LEU 85 6.310 6.580 2.846 683 HD11 LEU 85 HD11 LEU 85 8.333 6.759 1.526 684 HD12 LEU 85 HD12 LEU 85 7.394 5.352 1.028 685 HD13 LEU 85 HD13 LEU 85 8.828 5.144 2.033 686 HD21 LEU 85 HD21 LEU 85 5.976 4.163 2.631 687 HD22 LEU 85 HD22 LEU 85 5.885 4.687 4.312 688 HD23 LEU 85 HD23 LEU 85 7.337 3.882 3.717 689 HA PRO 86 HA PRO 86 9.200 7.784 9.032 690 HB2 PRO 86 HB2 PRO 86 11.310 6.084 9.293 691 HB3 PRO 86 HB1 PRO 86 9.698 5.733 9.923 692 HG2 PRO 86 HG2 PRO 86 10.990 4.792 7.397 693 HG3 PRO 86 HG1 PRO 86 10.002 3.882 8.555 694 HD2 PRO 86 HD2 PRO 86 9.008 4.815 6.224 695 HD3 PRO 86 HD1 PRO 86 8.025 4.698 7.697 696 H ARG 87 HN ARG 87 10.762 9.305 9.171 697 HA ARG 87 HA ARG 87 12.120 10.022 6.733 698 HB2 ARG 87 HB2 ARG 87 12.012 11.295 9.467 699 HB3 ARG 87 HB1 ARG 87 13.045 11.913 8.188 700 HG2 ARG 87 HG2 ARG 87 11.096 13.228 8.157 701 HG3 ARG 87 HG1 ARG 87 10.967 12.140 6.776 702 HD2 ARG 87 HD2 ARG 87 9.518 10.663 8.115 703 HD3 ARG 87 HD1 ARG 87 9.612 11.811 9.449 704 HE ARG 87 HE ARG 87 8.721 13.226 7.238 705 HH11 ARG 87 HH11 ARG 87 7.629 10.572 9.234 706 HH12 ARG 87 HH12 ARG 87 5.944 10.883 8.959 707 HH21 ARG 87 HH21 ARG 87 6.502 13.642 6.853 708 HH22 ARG 87 HH22 ARG 87 5.301 12.637 7.603 709 H ASP 88 HN ASP 88 12.818 7.941 9.197 710 HA ASP 88 HA ASP 88 15.661 8.466 9.367 711 HB2 ASP 88 HB2 ASP 88 14.422 7.663 11.339 712 HB3 ASP 88 HB1 ASP 88 14.000 6.190 10.475 713 H ILE 89 HN ILE 89 13.602 6.880 7.257 714 HA ILE 89 HA ILE 89 15.716 5.018 6.403 715 HB ILE 89 HB ILE 89 12.729 4.789 6.016 716 HG12 ILE 89 HG12 ILE 89 14.657 3.215 7.744 717 HG13 ILE 89 HG11 ILE 89 13.452 4.359 8.320 718 HG21 ILE 89 HG21 ILE 89 13.949 3.853 4.121 719 HG22 ILE 89 HG22 ILE 89 13.201 2.575 5.079 720 HG23 ILE 89 HG23 ILE 89 14.932 2.883 5.219 721 HD11 ILE 89 HD11 ILE 89 11.680 2.914 7.495 722 HD12 ILE 89 HD12 ILE 89 12.727 2.069 8.634 723 HD13 ILE 89 HD13 ILE 89 12.884 1.770 6.903 724 H VAL 90 HN VAL 90 16.490 5.177 4.401 725 HA VAL 90 HA VAL 90 15.538 7.313 2.691 726 HB VAL 90 HB VAL 90 17.945 7.063 2.907 727 HG11 VAL 90 HG11 VAL 90 18.096 4.698 3.387 728 HG12 VAL 90 HG12 VAL 90 19.121 5.099 2.011 729 HG13 VAL 90 HG13 VAL 90 17.568 4.306 1.751 730 HG21 VAL 90 HG21 VAL 90 16.971 6.285 0.161 731 HG22 VAL 90 HG22 VAL 90 18.566 6.943 0.529 732 HG23 VAL 90 HG23 VAL 90 17.125 7.923 0.796 733 H VAL 91 HN VAL 91 14.255 7.053 0.970 734 HA VAL 91 HA VAL 91 13.754 4.344 -0.013 735 HB VAL 91 HB VAL 91 12.034 4.581 1.583 736 HG11 VAL 91 HG11 VAL 91 11.466 7.313 0.469 737 HG12 VAL 91 HG12 VAL 91 12.250 6.961 2.008 738 HG13 VAL 91 HG13 VAL 91 10.564 6.511 1.754 739 HG21 VAL 91 HG21 VAL 91 10.904 5.353 -1.098 740 HG22 VAL 91 HG22 VAL 91 9.976 4.689 0.247 741 HG23 VAL 91 HG23 VAL 91 11.228 3.717 -0.526 742 H ASN 92 HN ASN 92 13.310 4.181 -2.114 743 HA ASN 92 HA ASN 92 12.741 6.572 -3.691 744 HB2 ASN 92 HB2 ASN 92 14.451 5.198 -5.347 745 HB3 ASN 92 HB1 ASN 92 14.856 6.654 -4.450 746 HD21 ASN 92 HD21 ASN 92 14.881 3.147 -4.301 747 HD22 ASN 92 HD22 ASN 92 16.269 3.017 -3.275 748 H ALA 93 HN ALA 93 12.175 5.941 -5.988 749 HA ALA 93 HA ALA 93 9.999 4.175 -5.921 750 HB1 ALA 93 HB1 ALA 93 10.152 6.072 -7.448 751 HB2 ALA 93 HB2 ALA 93 9.850 4.571 -8.326 752 HB3 ALA 93 HB3 ALA 93 11.467 5.276 -8.315 753 H ALA 94 HN ALA 94 13.320 3.641 -6.526 754 HA ALA 94 HA ALA 94 12.935 1.141 -7.958 755 HB1 ALA 94 HB1 ALA 94 15.380 1.041 -7.999 756 HB2 ALA 94 HB2 ALA 94 15.450 2.452 -6.943 757 HB3 ALA 94 HB3 ALA 94 14.788 2.603 -8.571 758 H ASP 95 HN ASP 95 12.931 2.118 -4.779 759 HA ASP 95 HA ASP 95 13.897 -0.475 -3.763 760 HB2 ASP 95 HB2 ASP 95 14.966 1.626 -2.903 761 HB3 ASP 95 HB1 ASP 95 13.407 2.098 -2.245 762 H ILE 96 HN ILE 96 11.218 1.603 -4.131 763 HA ILE 96 HA ILE 96 9.469 0.437 -2.204 764 HB ILE 96 HB ILE 96 9.058 2.235 -4.587 765 HG12 ILE 96 HG12 ILE 96 8.713 2.863 -1.663 766 HG13 ILE 96 HG11 ILE 96 10.263 3.019 -2.488 767 HG21 ILE 96 HG21 ILE 96 7.020 0.918 -4.225 768 HG22 ILE 96 HG22 ILE 96 6.774 2.613 -3.808 769 HG23 ILE 96 HG23 ILE 96 6.999 1.414 -2.534 770 HD11 ILE 96 HD11 ILE 96 9.336 4.636 -4.004 771 HD12 ILE 96 HD12 ILE 96 9.044 5.137 -2.337 772 HD13 ILE 96 HD13 ILE 96 7.735 4.433 -3.288 773 H LYS 97 HN LYS 97 8.645 -1.537 -2.354 774 HA LYS 97 HA LYS 97 8.059 -2.648 -5.022 775 HB2 LYS 97 HB2 LYS 97 8.316 -4.244 -2.479 776 HB3 LYS 97 HB1 LYS 97 8.396 -4.822 -4.134 777 HG2 LYS 97 HG2 LYS 97 10.452 -3.145 -2.713 778 HG3 LYS 97 HG1 LYS 97 10.594 -4.847 -3.152 779 HD2 LYS 97 HD2 LYS 97 10.206 -2.645 -5.173 780 HD3 LYS 97 HD1 LYS 97 11.792 -3.213 -4.661 781 HE2 LYS 97 HE2 LYS 97 9.652 -4.953 -5.882 782 HE3 LYS 97 HE1 LYS 97 10.999 -4.248 -6.773 783 HZ1 LYS 97 HZ1 LYS 97 11.160 -6.234 -4.568 784 HZ2 LYS 97 HZ2 LYS 97 12.504 -5.461 -5.246 785 HZ3 LYS 97 HZ3 LYS 97 11.551 -6.481 -6.197 786 H ILE 98 HN ILE 98 5.974 -2.237 -5.464 787 HA ILE 98 HA ILE 98 3.980 -2.575 -3.322 788 HB ILE 98 HB ILE 98 3.723 -1.009 -5.898 789 HG12 ILE 98 HG12 ILE 98 4.097 -0.050 -3.054 790 HG13 ILE 98 HG11 ILE 98 5.304 0.024 -4.330 791 HG21 ILE 98 HG21 ILE 98 1.648 -0.160 -4.969 792 HG22 ILE 98 HG22 ILE 98 1.877 -1.134 -3.518 793 HG23 ILE 98 HG23 ILE 98 1.597 -1.919 -5.071 794 HD11 ILE 98 HD11 ILE 98 4.282 2.183 -4.011 795 HD12 ILE 98 HD12 ILE 98 2.681 1.491 -4.273 796 HD13 ILE 98 HD13 ILE 98 3.847 1.537 -5.594 797 H PHE 99 HN PHE 99 2.758 -4.334 -3.436 798 HA PHE 99 HA PHE 99 2.086 -5.434 -6.080 799 HB2 PHE 99 HB2 PHE 99 2.941 -6.987 -3.637 800 HB3 PHE 99 HB1 PHE 99 2.216 -7.717 -5.061 801 HD1 PHE 99 HD1 PHE 99 3.438 -7.739 -7.193 802 HD2 PHE 99 HD2 PHE 99 5.222 -6.343 -3.595 803 HE1 PHE 99 HE1 PHE 99 5.664 -7.966 -8.216 804 HE2 PHE 99 HE2 PHE 99 7.451 -6.566 -4.610 805 HZ PHE 99 HZ PHE 99 7.673 -7.380 -6.921 806 H HIS 100 HN HIS 100 -0.025 -5.417 -6.346 807 HA HIS 100 HA HIS 100 -1.781 -5.424 -4.004 808 HB2 HIS 100 HB2 HIS 100 -2.200 -3.629 -5.578 809 HB3 HIS 100 HB1 HIS 100 -2.316 -4.769 -6.909 810 HD1 HIS 100 HD1 HIS 100 -4.685 -4.840 -7.644 811 HD2 HIS 100 HD2 HIS 100 -4.347 -4.643 -3.492 812 HE1 HIS 100 HE1 HIS 100 -7.028 -4.995 -6.759 813 HE2 HIS 100 HE2 HIS 100 -6.820 -4.732 -4.265 814 H ILE 101 HN ILE 101 -2.221 -7.445 -3.344 815 HA ILE 101 HA ILE 101 -2.821 -9.528 -5.278 816 HB ILE 101 HB ILE 101 -2.993 -9.576 -2.257 817 HG12 ILE 101 HG12 ILE 101 -0.899 -10.640 -4.164 818 HG13 ILE 101 HG11 ILE 101 -0.697 -9.324 -3.010 819 HG21 ILE 101 HG21 ILE 101 -3.108 -12.034 -2.523 820 HG22 ILE 101 HG22 ILE 101 -3.239 -11.812 -4.267 821 HG23 ILE 101 HG23 ILE 101 -4.507 -11.205 -3.205 822 HD11 ILE 101 HD11 ILE 101 -1.156 -12.224 -2.373 823 HD12 ILE 101 HD12 ILE 101 -1.087 -10.926 -1.181 824 HD13 ILE 101 HD13 ILE 101 0.337 -11.309 -2.154 825 H ARG 102 HN ARG 102 -4.676 -9.070 -6.320 826 HA ARG 102 HA ARG 102 -6.895 -7.807 -5.031 827 HB2 ARG 102 HB2 ARG 102 -8.072 -8.218 -7.190 828 HB3 ARG 102 HB1 ARG 102 -6.548 -7.358 -7.356 829 HG2 ARG 102 HG2 ARG 102 -5.454 -9.426 -8.054 830 HG3 ARG 102 HG1 ARG 102 -6.987 -10.287 -7.896 831 HD2 ARG 102 HD2 ARG 102 -7.975 -8.896 -9.616 832 HD3 ARG 102 HD1 ARG 102 -6.496 -7.944 -9.727 833 HE ARG 102 HE ARG 102 -6.008 -10.711 -10.203 834 HH11 ARG 102 HH11 ARG 102 -7.194 -7.771 -11.679 835 HH12 ARG 102 HH12 ARG 102 -6.823 -8.278 -13.293 836 HH21 ARG 102 HH21 ARG 102 -5.500 -11.380 -12.328 837 HH22 ARG 102 HH22 ARG 102 -5.851 -10.328 -13.664 838 H LYS 103 HN LYS 103 -5.866 -11.041 -5.458 839 HA LYS 103 HA LYS 103 -8.252 -12.469 -5.294 840 HB2 LYS 103 HB2 LYS 103 -6.077 -13.496 -5.748 841 HB3 LYS 103 HB1 LYS 103 -5.538 -13.110 -4.122 842 HG2 LYS 103 HG2 LYS 103 -7.301 -14.600 -3.232 843 HG3 LYS 103 HG1 LYS 103 -7.708 -15.045 -4.892 844 HD2 LYS 103 HD2 LYS 103 -5.408 -15.848 -5.222 845 HD3 LYS 103 HD1 LYS 103 -5.030 -15.433 -3.551 846 HE2 LYS 103 HE2 LYS 103 -5.489 -17.801 -3.750 847 HE3 LYS 103 HE1 LYS 103 -6.732 -17.014 -2.783 848 HZ1 LYS 103 HZ1 LYS 103 -7.648 -18.604 -4.380 849 HZ2 LYS 103 HZ2 LYS 103 -7.006 -17.706 -5.661 850 HZ3 LYS 103 HZ3 LYS 103 -8.204 -17.035 -4.675 851 H GLU 104 HN GLU 104 -6.137 -11.301 -2.697 852 HA GLU 104 HA GLU 104 -8.210 -11.920 -0.720 853 HB2 GLU 104 HB2 GLU 104 -5.298 -11.168 -0.429 854 HB3 GLU 104 HB1 GLU 104 -6.390 -11.386 0.931 855 HG2 GLU 104 HG2 GLU 104 -5.869 -13.531 -1.100 856 HG3 GLU 104 HG1 GLU 104 -4.904 -13.333 0.362 857 H ARG 105 HN ARG 105 -7.521 -9.498 -2.694 858 HA ARG 105 HA ARG 105 -7.696 -7.244 -2.770 859 HB2 ARG 105 HB2 ARG 105 -9.573 -7.740 -0.453 860 HB3 ARG 105 HB1 ARG 105 -9.417 -6.203 -1.291 861 HG2 ARG 105 HG2 ARG 105 -11.254 -7.100 -2.325 862 HG3 ARG 105 HG1 ARG 105 -9.963 -7.619 -3.408 863 HD2 ARG 105 HD2 ARG 105 -11.505 -9.451 -2.970 864 HD3 ARG 105 HD1 ARG 105 -9.912 -9.803 -2.298 865 HE ARG 105 HE ARG 105 -11.792 -8.603 -0.452 866 HH11 ARG 105 HH11 ARG 105 -10.484 -11.590 -1.738 867 HH12 ARG 105 HH12 ARG 105 -10.934 -12.527 -0.350 868 HH21 ARG 105 HH21 ARG 105 -12.384 -9.839 1.369 869 HH22 ARG 105 HH22 ARG 105 -12.013 -11.530 1.416 870 H THR 106 HN THR 106 -5.477 -8.247 -1.396 871 HA THR 106 HA THR 106 -5.150 -6.293 0.781 872 HB THR 106 HB THR 106 -3.691 -8.924 0.478 873 HG1 THR 106 HG1 THR 106 -6.196 -8.538 1.218 874 HG21 THR 106 HG21 THR 106 -3.100 -8.526 2.846 875 HG22 THR 106 HG22 THR 106 -3.880 -6.948 2.751 876 HG23 THR 106 HG23 THR 106 -2.456 -7.287 1.770 877 H LEU 107 HN LEU 107 -3.650 -4.783 0.475 878 HA LEU 107 HA LEU 107 -1.846 -5.077 -1.822 879 HB2 LEU 107 HB2 LEU 107 -3.260 -3.119 -1.895 880 HB3 LEU 107 HB1 LEU 107 -2.756 -2.645 -0.286 881 HG LEU 107 HG LEU 107 -0.494 -2.189 -1.111 882 HD11 LEU 107 HD11 LEU 107 -0.045 -2.204 -3.520 883 HD12 LEU 107 HD12 LEU 107 -1.619 -2.947 -3.798 884 HD13 LEU 107 HD13 LEU 107 -0.378 -3.821 -2.900 885 HD21 LEU 107 HD21 LEU 107 -1.027 -0.247 -2.497 886 HD22 LEU 107 HD22 LEU 107 -2.126 -0.390 -1.125 887 HD23 LEU 107 HD23 LEU 107 -2.659 -0.870 -2.737 888 H TYR 108 HN TYR 108 0.206 -5.533 -1.484 889 HA TYR 108 HA TYR 108 1.323 -5.163 1.203 890 HB2 TYR 108 HB2 TYR 108 2.232 -6.875 -1.116 891 HB3 TYR 108 HB1 TYR 108 3.087 -6.738 0.416 892 HD1 TYR 108 HD1 TYR 108 -0.278 -7.590 -0.931 893 HD2 TYR 108 HD2 TYR 108 2.629 -8.262 2.091 894 HE1 TYR 108 HE1 TYR 108 -1.673 -9.367 0.001 895 HE2 TYR 108 HE2 TYR 108 1.239 -10.051 3.037 896 HH TYR 108 HH TYR 108 -1.150 -10.714 3.072 897 H ILE 109 HN ILE 109 2.773 -3.672 1.597 898 HA ILE 109 HA ILE 109 4.286 -2.491 -0.647 899 HB ILE 109 HB ILE 109 3.704 -1.222 2.030 900 HG12 ILE 109 HG12 ILE 109 1.618 -1.480 0.762 901 HG13 ILE 109 HG11 ILE 109 2.086 0.212 0.877 902 HG21 ILE 109 HG21 ILE 109 4.807 -0.018 -0.499 903 HG22 ILE 109 HG22 ILE 109 5.741 -0.432 0.939 904 HG23 ILE 109 HG23 ILE 109 4.511 0.830 1.021 905 HD11 ILE 109 HD11 ILE 109 2.530 -1.560 -1.510 906 HD12 ILE 109 HD12 ILE 109 2.920 0.157 -1.393 907 HD13 ILE 109 HD13 ILE 109 1.238 -0.371 -1.334 908 H TYR 110 HN TYR 110 6.389 -3.020 -0.636 909 HA TYR 110 HA TYR 110 7.683 -3.506 1.969 910 HB2 TYR 110 HB2 TYR 110 8.325 -4.838 -0.671 911 HB3 TYR 110 HB1 TYR 110 9.222 -5.064 0.820 912 HD1 TYR 110 HD1 TYR 110 6.044 -5.759 -0.909 913 HD2 TYR 110 HD2 TYR 110 8.423 -6.543 2.532 914 HE1 TYR 110 HE1 TYR 110 4.592 -7.657 -0.340 915 HE2 TYR 110 HE2 TYR 110 6.971 -8.436 3.111 916 HH TYR 110 HH TYR 110 4.822 -9.314 2.697 917 H ILE 111 HN ILE 111 9.312 -2.177 2.408 918 HA ILE 111 HA ILE 111 10.713 -0.862 0.187 919 HB ILE 111 HB ILE 111 9.725 0.562 2.670 920 HG12 ILE 111 HG12 ILE 111 8.909 0.904 -0.226 921 HG13 ILE 111 HG11 ILE 111 7.948 0.086 1.001 922 HG21 ILE 111 HG21 ILE 111 11.271 1.600 0.295 923 HG22 ILE 111 HG22 ILE 111 11.896 1.386 1.931 924 HG23 ILE 111 HG23 ILE 111 10.637 2.581 1.617 925 HD11 ILE 111 HD11 ILE 111 8.730 2.988 1.014 926 HD12 ILE 111 HD12 ILE 111 7.767 2.173 2.245 927 HD13 ILE 111 HD13 ILE 111 7.146 2.336 0.603 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 12.629 24.575 -0.077 2 H2 GLY 1 HT2 GLY 1 11.218 24.037 -0.836 3 H3 GLY 1 HT3 GLY 1 12.357 24.928 -1.707 4 HA2 GLY 1 HA1 GLY 1 13.969 23.160 -1.503 5 HA3 GLY 1 HA2 GLY 1 12.810 22.234 -0.560 6 HA PRO 2 HA PRO 2 12.461 21.338 -5.215 7 HB2 PRO 2 HB2 PRO 2 13.034 18.665 -4.995 8 HB3 PRO 2 HB1 PRO 2 14.234 19.903 -5.382 9 HG2 PRO 2 HG2 PRO 2 13.630 18.602 -2.759 10 HG3 PRO 2 HG1 PRO 2 15.202 19.004 -3.475 11 HD2 PRO 2 HD2 PRO 2 14.085 20.525 -1.558 12 HD3 PRO 2 HD1 PRO 2 15.046 21.231 -2.871 13 H HIS 3 HN HIS 3 10.883 19.872 -6.180 14 HA HIS 3 HA HIS 3 8.881 18.907 -4.245 15 HB2 HIS 3 HB2 HIS 3 8.293 21.060 -5.498 16 HB3 HIS 3 HB1 HIS 3 8.210 20.071 -6.950 17 HD1 HIS 3 HD1 HIS 3 5.807 19.794 -7.470 18 HD2 HIS 3 HD2 HIS 3 6.570 19.416 -3.404 19 HE1 HIS 3 HE1 HIS 3 3.594 19.235 -6.418 20 HE2 HIS 3 HE2 HIS 3 4.049 19.218 -3.939 21 H MET 4 HN MET 4 10.411 17.010 -4.698 22 HA MET 4 HA MET 4 10.126 15.754 -7.278 23 HB2 MET 4 HB2 MET 4 11.606 15.046 -4.769 24 HB3 MET 4 HB1 MET 4 11.434 13.883 -6.077 25 HG2 MET 4 HG2 MET 4 12.601 15.285 -7.587 26 HG3 MET 4 HG1 MET 4 12.564 16.630 -6.456 27 HE1 MET 4 HE1 MET 4 14.083 13.128 -7.301 28 HE2 MET 4 HE2 MET 4 13.350 12.817 -5.727 29 HE3 MET 4 HE3 MET 4 15.105 12.812 -5.898 30 H SER 5 HN SER 5 8.961 14.087 -7.823 31 HA SER 5 HA SER 5 7.660 12.371 -5.920 32 HB2 SER 5 HB2 SER 5 5.358 12.847 -6.832 33 HB3 SER 5 HB1 SER 5 6.033 14.137 -5.838 34 HG SER 5 HG SER 5 6.817 14.660 -8.272 35 H VAL 6 HN VAL 6 7.553 10.403 -6.769 36 HA VAL 6 HA VAL 6 7.646 10.149 -9.702 37 HB VAL 6 HB VAL 6 9.022 8.080 -9.359 38 HG11 VAL 6 HG11 VAL 6 10.230 10.682 -8.429 39 HG12 VAL 6 HG12 VAL 6 10.047 10.151 -10.100 40 HG13 VAL 6 HG13 VAL 6 11.134 9.286 -9.013 41 HG21 VAL 6 HG21 VAL 6 10.286 7.943 -7.210 42 HG22 VAL 6 HG22 VAL 6 8.565 7.588 -7.063 43 HG23 VAL 6 HG23 VAL 6 9.189 9.155 -6.548 44 H GLN 7 HN GLN 7 6.426 8.552 -10.604 45 HA GLN 7 HA GLN 7 4.300 7.533 -8.932 46 HB2 GLN 7 HB2 GLN 7 3.186 6.908 -10.947 47 HB3 GLN 7 HB1 GLN 7 3.893 8.491 -11.220 48 HG2 GLN 7 HG2 GLN 7 5.106 5.899 -12.142 49 HG3 GLN 7 HG1 GLN 7 4.088 6.935 -13.139 50 HE21 GLN 7 HE21 GLN 7 7.209 6.493 -11.713 51 HE22 GLN 7 HE22 GLN 7 8.004 7.789 -12.543 52 H ILE 8 HN ILE 8 4.019 5.451 -8.285 53 HA ILE 8 HA ILE 8 6.117 3.548 -9.079 54 HB ILE 8 HB ILE 8 4.426 3.129 -6.646 55 HG12 ILE 8 HG12 ILE 8 5.301 5.435 -6.423 56 HG13 ILE 8 HG11 ILE 8 6.010 4.341 -5.244 57 HG21 ILE 8 HG21 ILE 8 6.394 1.924 -5.875 58 HG22 ILE 8 HG22 ILE 8 7.290 2.441 -7.303 59 HG23 ILE 8 HG23 ILE 8 5.908 1.357 -7.473 60 HD11 ILE 8 HD11 ILE 8 7.303 5.311 -7.777 61 HD12 ILE 8 HD12 ILE 8 8.016 4.177 -6.630 62 HD13 ILE 8 HD13 ILE 8 7.677 5.835 -6.134 63 HA PRO 9 HA PRO 9 2.534 1.477 -10.879 64 HB2 PRO 9 HB2 PRO 9 4.447 -0.436 -11.925 65 HB3 PRO 9 HB1 PRO 9 3.415 0.686 -12.807 66 HG2 PRO 9 HG2 PRO 9 6.126 0.942 -12.666 67 HG3 PRO 9 HG1 PRO 9 5.022 2.309 -12.890 68 HD2 PRO 9 HD2 PRO 9 6.429 1.391 -10.419 69 HD3 PRO 9 HD1 PRO 9 6.083 3.041 -10.980 70 H VAL 10 HN VAL 10 1.390 -0.153 -10.055 71 HA VAL 10 HA VAL 10 2.665 -1.763 -7.969 72 HB VAL 10 HB VAL 10 0.869 -0.615 -6.998 73 HG11 VAL 10 HG11 VAL 10 -1.399 -0.527 -7.972 74 HG12 VAL 10 HG12 VAL 10 -0.783 -1.336 -9.413 75 HG13 VAL 10 HG13 VAL 10 -0.181 0.264 -8.973 76 HG21 VAL 10 HG21 VAL 10 -0.326 -3.267 -7.797 77 HG22 VAL 10 HG22 VAL 10 -0.749 -2.300 -6.384 78 HG23 VAL 10 HG23 VAL 10 0.849 -3.038 -6.502 79 H VAL 11 HN VAL 11 2.917 -3.878 -8.185 80 HA VAL 11 HA VAL 11 1.981 -5.156 -10.619 81 HB VAL 11 HB VAL 11 3.669 -6.299 -8.382 82 HG11 VAL 11 HG11 VAL 11 2.571 -8.002 -9.725 83 HG12 VAL 11 HG12 VAL 11 4.308 -7.989 -10.030 84 HG13 VAL 11 HG13 VAL 11 3.201 -7.267 -11.198 85 HG21 VAL 11 HG21 VAL 11 5.591 -5.876 -9.814 86 HG22 VAL 11 HG22 VAL 11 4.754 -4.371 -9.436 87 HG23 VAL 11 HG23 VAL 11 4.546 -5.122 -11.016 88 H GLU 12 HN GLU 12 -0.014 -5.989 -10.612 89 HA GLU 12 HA GLU 12 -1.149 -6.932 -8.103 90 HB2 GLU 12 HB2 GLU 12 -2.406 -6.553 -10.823 91 HB3 GLU 12 HB1 GLU 12 -3.264 -7.130 -9.399 92 HG2 GLU 12 HG2 GLU 12 -2.586 -5.000 -8.259 93 HG3 GLU 12 HG1 GLU 12 -2.013 -4.436 -9.823 94 H VAL 13 HN VAL 13 -0.656 -8.877 -7.551 95 HA VAL 13 HA VAL 13 -0.639 -11.016 -9.570 96 HB VAL 13 HB VAL 13 1.215 -12.059 -8.094 97 HG11 VAL 13 HG11 VAL 13 2.970 -10.836 -9.366 98 HG12 VAL 13 HG12 VAL 13 1.726 -9.709 -9.905 99 HG13 VAL 13 HG13 VAL 13 1.633 -11.407 -10.361 100 HG21 VAL 13 HG21 VAL 13 1.506 -9.147 -7.354 101 HG22 VAL 13 HG22 VAL 13 2.683 -10.415 -7.008 102 HG23 VAL 13 HG23 VAL 13 1.086 -10.464 -6.260 103 H ASP 14 HN ASP 14 -0.211 -13.184 -8.058 104 HA ASP 14 HA ASP 14 -2.594 -13.259 -6.368 105 HB2 ASP 14 HB2 ASP 14 -2.266 -14.901 -8.259 106 HB3 ASP 14 HB1 ASP 14 -0.900 -15.563 -7.368 107 H GLU 15 HN GLU 15 0.854 -13.592 -6.327 108 HA GLU 15 HA GLU 15 0.909 -13.591 -3.423 109 HB2 GLU 15 HB2 GLU 15 2.286 -15.699 -5.097 110 HB3 GLU 15 HB1 GLU 15 2.596 -15.415 -3.390 111 HG2 GLU 15 HG2 GLU 15 0.309 -15.990 -2.866 112 HG3 GLU 15 HG1 GLU 15 -0.023 -16.254 -4.583 113 H LEU 16 HN LEU 16 3.116 -13.217 -2.627 114 HA LEU 16 HA LEU 16 4.576 -11.409 -4.307 115 HB2 LEU 16 HB2 LEU 16 5.156 -12.494 -1.552 116 HB3 LEU 16 HB1 LEU 16 6.149 -11.308 -2.370 117 HG LEU 16 HG LEU 16 4.846 -10.078 -0.882 118 HD11 LEU 16 HD11 LEU 16 3.393 -9.950 -3.505 119 HD12 LEU 16 HD12 LEU 16 4.905 -9.122 -3.125 120 HD13 LEU 16 HD13 LEU 16 3.425 -8.699 -2.263 121 HD21 LEU 16 HD21 LEU 16 2.427 -11.570 -1.841 122 HD22 LEU 16 HD22 LEU 16 2.448 -10.275 -0.642 123 HD23 LEU 16 HD23 LEU 16 3.253 -11.804 -0.303 124 HA PRO 17 HA PRO 17 7.529 -14.162 -6.219 125 HB2 PRO 17 HB2 PRO 17 9.323 -11.911 -5.422 126 HB3 PRO 17 HB1 PRO 17 9.196 -12.751 -6.965 127 HG2 PRO 17 HG2 PRO 17 8.117 -10.346 -6.657 128 HG3 PRO 17 HG1 PRO 17 7.271 -11.602 -7.583 129 HD2 PRO 17 HD2 PRO 17 6.710 -10.574 -4.841 130 HD3 PRO 17 HD1 PRO 17 5.595 -11.183 -6.074 131 H GLU 18 HN GLU 18 9.598 -15.169 -5.702 132 HA GLU 18 HA GLU 18 9.729 -15.989 -2.980 133 HB2 GLU 18 HB2 GLU 18 11.713 -17.270 -3.666 134 HB3 GLU 18 HB1 GLU 18 10.366 -17.516 -4.768 135 HG2 GLU 18 HG2 GLU 18 11.360 -15.979 -6.357 136 HG3 GLU 18 HG1 GLU 18 12.691 -15.674 -5.242 137 H GLY 19 HN GLY 19 10.991 -15.298 -1.365 138 HA2 GLY 19 HA2 GLY 19 12.958 -14.133 -0.547 139 HA3 GLY 19 HA1 GLY 19 12.863 -13.098 -1.964 140 H TYR 20 HN TYR 20 9.771 -13.499 -1.116 141 HA TYR 20 HA TYR 20 9.759 -11.073 0.533 142 HB2 TYR 20 HB2 TYR 20 7.718 -12.355 -1.258 143 HB3 TYR 20 HB1 TYR 20 7.256 -11.141 -0.069 144 HD1 TYR 20 HD1 TYR 20 8.000 -8.843 -0.293 145 HD2 TYR 20 HD2 TYR 20 8.942 -11.741 -3.261 146 HE1 TYR 20 HE1 TYR 20 8.576 -7.046 -1.859 147 HE2 TYR 20 HE2 TYR 20 9.518 -9.947 -4.829 148 HH TYR 20 HH TYR 20 9.161 -7.645 -5.209 149 H ASP 21 HN ASP 21 7.730 -11.001 2.012 150 HA ASP 21 HA ASP 21 7.380 -13.587 3.364 151 HB2 ASP 21 HB2 ASP 21 9.029 -12.209 4.610 152 HB3 ASP 21 HB1 ASP 21 7.812 -10.941 4.772 153 H ARG 22 HN ARG 22 5.305 -14.079 3.166 154 HA ARG 22 HA ARG 22 3.325 -11.937 3.565 155 HB2 ARG 22 HB2 ARG 22 3.297 -12.804 1.261 156 HB3 ARG 22 HB1 ARG 22 3.037 -14.430 1.872 157 HG2 ARG 22 HG2 ARG 22 0.877 -13.886 2.668 158 HG3 ARG 22 HG1 ARG 22 1.145 -12.163 2.419 159 HD2 ARG 22 HD2 ARG 22 -0.287 -13.010 0.686 160 HD3 ARG 22 HD1 ARG 22 1.267 -12.565 -0.010 161 HE ARG 22 HE ARG 22 1.808 -14.903 -0.156 162 HH11 ARG 22 HH11 ARG 22 -1.559 -14.124 0.494 163 HH12 ARG 22 HH12 ARG 22 -2.130 -15.693 0.011 164 HH21 ARG 22 HH21 ARG 22 1.020 -16.958 -0.825 165 HH22 ARG 22 HH22 ARG 22 -0.682 -17.283 -0.745 166 H SER 23 HN SER 23 1.505 -12.406 4.805 167 HA SER 23 HA SER 23 1.400 -14.984 6.162 168 HB2 SER 23 HB2 SER 23 1.402 -12.320 7.606 169 HB3 SER 23 HB1 SER 23 1.189 -13.901 8.353 170 HG SER 23 HG SER 23 3.414 -13.962 6.889 171 H2 PRO 24 HT1 PRO 24 -25.153 15.131 5.210 172 H3 PRO 24 HT2 PRO 24 -26.225 15.508 4.035 173 HA PRO 24 HA PRO 24 -25.903 13.713 2.882 174 HB2 PRO 24 HB2 PRO 24 -23.324 12.768 3.772 175 HB3 PRO 24 HB1 PRO 24 -23.845 13.200 2.137 176 HG2 PRO 24 HG2 PRO 24 -22.425 14.823 4.134 177 HG3 PRO 24 HG1 PRO 24 -22.524 15.033 2.377 178 HD2 PRO 24 HD2 PRO 24 -23.771 16.717 4.058 179 HD3 PRO 24 HD1 PRO 24 -24.499 16.256 2.508 180 H HIS 25 HN HIS 25 -26.193 11.504 3.467 181 HA HIS 25 HA HIS 25 -26.735 11.172 6.309 182 HB2 HIS 25 HB2 HIS 25 -27.476 9.569 3.865 183 HB3 HIS 25 HB1 HIS 25 -27.755 8.966 5.494 184 HD1 HIS 25 HD1 HIS 25 -30.058 9.368 6.249 185 HD2 HIS 25 HD2 HIS 25 -28.765 12.334 3.643 186 HE1 HIS 25 HE1 HIS 25 -32.001 10.946 6.007 187 HE2 HIS 25 HE2 HIS 25 -31.147 12.805 4.536 188 H GLU 26 HN GLU 26 -24.512 11.098 6.933 189 HA GLU 26 HA GLU 26 -22.628 10.046 7.619 190 HB2 GLU 26 HB2 GLU 26 -24.340 7.625 7.057 191 HB3 GLU 26 HB1 GLU 26 -22.729 7.505 7.739 192 HG2 GLU 26 HG2 GLU 26 -24.304 7.373 9.515 193 HG3 GLU 26 HG1 GLU 26 -23.479 8.924 9.631 194 H GLN 27 HN GLN 27 -21.397 7.652 6.681 195 HA GLN 27 HA GLN 27 -20.198 8.640 4.287 196 HB2 GLN 27 HB2 GLN 27 -19.866 6.084 5.842 197 HB3 GLN 27 HB1 GLN 27 -18.997 6.392 4.345 198 HG2 GLN 27 HG2 GLN 27 -18.848 8.022 6.867 199 HG3 GLN 27 HG1 GLN 27 -17.616 6.926 6.245 200 HE21 GLN 27 HE21 GLN 27 -16.387 7.538 4.472 201 HE22 GLN 27 HE22 GLN 27 -16.325 9.174 3.911 202 H GLN 28 HN GLN 28 -19.767 6.865 2.536 203 HA GLN 28 HA GLN 28 -22.423 6.015 1.600 204 HB2 GLN 28 HB2 GLN 28 -19.989 6.922 0.078 205 HB3 GLN 28 HB1 GLN 28 -21.367 6.146 -0.691 206 HG2 GLN 28 HG2 GLN 28 -22.810 7.931 0.168 207 HG3 GLN 28 HG1 GLN 28 -21.389 8.729 0.841 208 HE21 GLN 28 HE21 GLN 28 -23.123 7.907 -2.031 209 HE22 GLN 28 HE22 GLN 28 -22.252 8.943 -3.108 210 H GLU 29 HN GLU 29 -22.461 4.150 0.201 211 HA GLU 29 HA GLU 29 -21.121 1.975 1.502 212 HB2 GLU 29 HB2 GLU 29 -22.478 0.537 0.071 213 HB3 GLU 29 HB1 GLU 29 -23.464 1.801 0.790 214 HG2 GLU 29 HG2 GLU 29 -23.477 3.037 -1.269 215 HG3 GLU 29 HG1 GLU 29 -22.353 1.896 -2.003 216 H ASP 30 HN ASP 30 -20.416 3.909 -1.186 217 HA ASP 30 HA ASP 30 -18.830 1.889 -2.545 218 HB2 ASP 30 HB2 ASP 30 -18.328 3.676 -4.163 219 HB3 ASP 30 HB1 ASP 30 -20.061 3.508 -3.907 220 H VAL 31 HN VAL 31 -18.430 3.775 0.101 221 HA VAL 31 HA VAL 31 -15.736 4.674 -0.337 222 HB VAL 31 HB VAL 31 -17.300 4.529 2.246 223 HG11 VAL 31 HG11 VAL 31 -14.816 6.085 1.533 224 HG12 VAL 31 HG12 VAL 31 -14.902 4.700 2.620 225 HG13 VAL 31 HG13 VAL 31 -15.706 6.209 3.050 226 HG21 VAL 31 HG21 VAL 31 -18.464 5.903 0.642 227 HG22 VAL 31 HG22 VAL 31 -16.981 6.788 0.275 228 HG23 VAL 31 HG23 VAL 31 -17.722 6.930 1.869 229 HA PRO 32 HA PRO 32 -14.098 0.647 0.804 230 HB2 PRO 32 HB2 PRO 32 -11.524 1.239 0.194 231 HB3 PRO 32 HB1 PRO 32 -12.726 0.824 -1.034 232 HG2 PRO 32 HG2 PRO 32 -11.713 3.513 -0.205 233 HG3 PRO 32 HG1 PRO 32 -12.052 2.895 -1.832 234 HD2 PRO 32 HD2 PRO 32 -13.762 4.520 -0.471 235 HD3 PRO 32 HD1 PRO 32 -14.302 3.317 -1.658 236 H GLU 33 HN GLU 33 -13.462 -0.002 2.768 237 HA GLU 33 HA GLU 33 -12.165 1.945 4.523 238 HB2 GLU 33 HB2 GLU 33 -14.369 1.072 5.265 239 HB3 GLU 33 HB1 GLU 33 -13.701 -0.556 5.255 240 HG2 GLU 33 HG2 GLU 33 -12.254 -0.080 7.037 241 HG3 GLU 33 HG1 GLU 33 -12.539 1.658 6.914 242 H TYR 34 HN TYR 34 -10.058 1.661 4.197 243 HA TYR 34 HA TYR 34 -8.958 -1.014 3.911 244 HB2 TYR 34 HB2 TYR 34 -7.645 1.699 3.768 245 HB3 TYR 34 HB1 TYR 34 -6.819 0.174 3.492 246 HD1 TYR 34 HD1 TYR 34 -7.619 -1.274 1.547 247 HD2 TYR 34 HD2 TYR 34 -8.740 2.801 2.025 248 HE1 TYR 34 HE1 TYR 34 -8.195 -1.159 -0.839 249 HE2 TYR 34 HE2 TYR 34 -9.324 2.927 -0.356 250 HH TYR 34 HH TYR 34 -9.575 0.160 -2.341 251 H GLU 35 HN GLU 35 -7.256 -1.795 5.181 252 HA GLU 35 HA GLU 35 -6.971 -0.538 7.830 253 HB2 GLU 35 HB2 GLU 35 -8.191 -2.740 7.824 254 HB3 GLU 35 HB1 GLU 35 -6.730 -3.487 7.194 255 HG2 GLU 35 HG2 GLU 35 -5.541 -2.653 9.237 256 HG3 GLU 35 HG1 GLU 35 -7.115 -2.176 9.870 257 H VAL 36 HN VAL 36 -5.061 0.454 7.810 258 HA VAL 36 HA VAL 36 -2.826 -0.635 6.299 259 HB VAL 36 HB VAL 36 -3.052 1.928 7.888 260 HG11 VAL 36 HG11 VAL 36 -0.976 2.591 6.784 261 HG12 VAL 36 HG12 VAL 36 -0.879 1.011 6.007 262 HG13 VAL 36 HG13 VAL 36 -0.741 1.141 7.759 263 HG21 VAL 36 HG21 VAL 36 -3.126 1.456 4.910 264 HG22 VAL 36 HG22 VAL 36 -3.180 3.026 5.712 265 HG23 VAL 36 HG23 VAL 36 -4.504 1.882 5.922 266 H LYS 37 HN LYS 37 -1.212 -1.757 7.162 267 HA LYS 37 HA LYS 37 -0.743 -1.581 10.062 268 HB2 LYS 37 HB2 LYS 37 -0.460 -4.096 8.398 269 HB3 LYS 37 HB1 LYS 37 -0.166 -3.951 10.123 270 HG2 LYS 37 HG2 LYS 37 -2.250 -4.924 10.061 271 HG3 LYS 37 HG1 LYS 37 -2.649 -3.215 10.232 272 HD2 LYS 37 HD2 LYS 37 -4.036 -3.682 8.502 273 HD3 LYS 37 HD1 LYS 37 -2.584 -3.374 7.564 274 HE2 LYS 37 HE2 LYS 37 -3.644 -5.401 6.792 275 HE3 LYS 37 HE1 LYS 37 -2.100 -5.781 7.553 276 HZ1 LYS 37 HZ1 LYS 37 -3.207 -6.544 9.490 277 HZ2 LYS 37 HZ2 LYS 37 -3.963 -7.281 8.170 278 HZ3 LYS 37 HZ3 LYS 37 -4.711 -5.975 8.953 279 H MET 38 HN MET 38 1.434 -1.586 10.675 280 HA MET 38 HA MET 38 3.316 -1.309 8.424 281 HB2 MET 38 HB2 MET 38 2.450 0.765 9.936 282 HB3 MET 38 HB1 MET 38 3.862 0.259 10.857 283 HG2 MET 38 HG2 MET 38 5.318 0.749 9.167 284 HG3 MET 38 HG1 MET 38 4.089 0.610 7.917 285 HE1 MET 38 HE1 MET 38 4.549 4.209 7.126 286 HE2 MET 38 HE2 MET 38 4.030 2.613 6.573 287 HE3 MET 38 HE3 MET 38 5.668 2.844 7.189 288 H LYS 39 HN LYS 39 5.375 -2.159 8.700 289 HA LYS 39 HA LYS 39 5.955 -3.458 11.272 290 HB2 LYS 39 HB2 LYS 39 4.757 -4.954 9.460 291 HB3 LYS 39 HB1 LYS 39 6.363 -5.028 8.754 292 HG2 LYS 39 HG2 LYS 39 5.863 -5.738 11.626 293 HG3 LYS 39 HG1 LYS 39 5.666 -6.910 10.323 294 HD2 LYS 39 HD2 LYS 39 7.973 -6.667 9.688 295 HD3 LYS 39 HD1 LYS 39 8.196 -5.356 10.848 296 HE2 LYS 39 HE2 LYS 39 7.795 -6.883 12.689 297 HE3 LYS 39 HE1 LYS 39 7.467 -8.194 11.559 298 HZ1 LYS 39 HZ1 LYS 39 10.062 -6.759 11.712 299 HZ2 LYS 39 HZ2 LYS 39 9.717 -8.165 10.833 300 HZ3 LYS 39 HZ3 LYS 39 9.738 -8.210 12.520 301 H ARG 40 HN ARG 40 8.060 -3.379 11.818 302 HA ARG 40 HA ARG 40 9.906 -2.163 9.893 303 HB2 ARG 40 HB2 ARG 40 9.842 -2.300 12.891 304 HB3 ARG 40 HB1 ARG 40 11.350 -1.967 12.055 305 HG2 ARG 40 HG2 ARG 40 10.375 0.105 12.715 306 HG3 ARG 40 HG1 ARG 40 10.252 -0.029 10.962 307 HD2 ARG 40 HD2 ARG 40 7.914 -0.796 11.231 308 HD3 ARG 40 HD1 ARG 40 8.060 -0.527 12.968 309 HE ARG 40 HE ARG 40 8.771 1.816 11.560 310 HH11 ARG 40 HH11 ARG 40 5.969 -0.076 12.483 311 HH12 ARG 40 HH12 ARG 40 4.880 1.277 12.420 312 HH21 ARG 40 HH21 ARG 40 7.340 3.591 11.482 313 HH22 ARG 40 HH22 ARG 40 5.662 3.364 11.850 314 H PHE 41 HN PHE 41 11.741 -3.124 9.232 315 HA PHE 41 HA PHE 41 12.344 -5.804 10.310 316 HB2 PHE 41 HB2 PHE 41 12.580 -4.750 7.492 317 HB3 PHE 41 HB1 PHE 41 13.400 -6.211 8.026 318 HD1 PHE 41 HD1 PHE 41 10.044 -4.666 7.680 319 HD2 PHE 41 HD2 PHE 41 12.302 -8.253 8.032 320 HE1 PHE 41 HE1 PHE 41 8.029 -5.980 7.178 321 HE2 PHE 41 HE2 PHE 41 10.290 -9.576 7.532 322 HZ PHE 41 HZ PHE 41 8.148 -8.439 7.101 323 H LYS 42 HN LYS 42 14.667 -6.430 9.958 324 HA LYS 42 HA LYS 42 16.538 -4.189 9.950 325 HB2 LYS 42 HB2 LYS 42 15.913 -4.503 12.314 326 HB3 LYS 42 HB1 LYS 42 16.363 -6.198 12.210 327 HG2 LYS 42 HG2 LYS 42 18.683 -5.554 11.779 328 HG3 LYS 42 HG1 LYS 42 18.227 -3.852 11.897 329 HD2 LYS 42 HD2 LYS 42 17.510 -4.207 14.211 330 HD3 LYS 42 HD1 LYS 42 17.962 -5.910 14.092 331 HE2 LYS 42 HE2 LYS 42 20.281 -5.269 13.693 332 HE3 LYS 42 HE1 LYS 42 19.837 -3.567 13.786 333 HZ1 LYS 42 HZ1 LYS 42 19.577 -5.534 15.995 334 HZ2 LYS 42 HZ2 LYS 42 19.194 -3.890 16.086 335 HZ3 LYS 42 HZ3 LYS 42 20.798 -4.374 15.857 336 H GLY 43 HN GLY 43 17.736 -4.826 8.239 337 HA2 GLY 43 HA2 GLY 43 19.452 -6.024 7.232 338 HA3 GLY 43 HA1 GLY 43 19.322 -7.226 8.510 339 H ALA 44 HN ALA 44 16.937 -5.998 6.192 340 HA ALA 44 HA ALA 44 16.730 -8.694 5.063 341 HB1 ALA 44 HB1 ALA 44 14.387 -6.983 5.888 342 HB2 ALA 44 HB2 ALA 44 14.928 -8.453 6.698 343 HB3 ALA 44 HB3 ALA 44 14.293 -8.534 5.054 344 H ALA 45 HN ALA 45 15.319 -8.589 3.008 345 HA ALA 45 HA ALA 45 16.484 -6.838 1.164 346 HB1 ALA 45 HB1 ALA 45 15.447 -8.975 0.563 347 HB2 ALA 45 HB2 ALA 45 14.799 -7.644 -0.398 348 HB3 ALA 45 HB3 ALA 45 13.860 -8.306 0.941 349 H TYR 46 HN TYR 46 13.834 -6.485 3.283 350 HA TYR 46 HA TYR 46 13.298 -3.797 2.283 351 HB2 TYR 46 HB2 TYR 46 10.856 -4.426 3.197 352 HB3 TYR 46 HB1 TYR 46 11.328 -4.702 1.523 353 HD1 TYR 46 HD1 TYR 46 11.256 -6.417 4.837 354 HD2 TYR 46 HD2 TYR 46 11.091 -6.819 0.607 355 HE1 TYR 46 HE1 TYR 46 10.770 -8.811 5.091 356 HE2 TYR 46 HE2 TYR 46 10.604 -9.214 0.847 357 HH TYR 46 HH TYR 46 9.786 -10.632 3.859 358 H LYS 47 HN LYS 47 12.892 -2.299 3.895 359 HA LYS 47 HA LYS 47 13.752 -3.193 6.564 360 HB2 LYS 47 HB2 LYS 47 13.721 -0.435 5.312 361 HB3 LYS 47 HB1 LYS 47 14.183 -0.759 6.970 362 HG2 LYS 47 HG2 LYS 47 16.170 -0.491 5.699 363 HG3 LYS 47 HG1 LYS 47 16.026 -2.198 6.115 364 HD2 LYS 47 HD2 LYS 47 16.740 -1.980 3.817 365 HD3 LYS 47 HD1 LYS 47 15.103 -2.634 3.862 366 HE2 LYS 47 HE2 LYS 47 14.280 -0.276 3.503 367 HE3 LYS 47 HE1 LYS 47 15.955 0.177 3.197 368 HZ1 LYS 47 HZ1 LYS 47 14.316 -1.766 1.660 369 HZ2 LYS 47 HZ2 LYS 47 15.973 -1.516 1.411 370 HZ3 LYS 47 HZ3 LYS 47 14.876 -0.259 1.125 371 H LEU 48 HN LEU 48 11.136 -1.966 4.777 372 HA LEU 48 HA LEU 48 9.511 -1.803 7.210 373 HB2 LEU 48 HB2 LEU 48 10.419 0.446 5.990 374 HB3 LEU 48 HB1 LEU 48 8.938 0.185 5.093 375 HG LEU 48 HG LEU 48 8.616 1.751 6.945 376 HD11 LEU 48 HD11 LEU 48 6.662 0.768 7.913 377 HD12 LEU 48 HD12 LEU 48 7.208 -0.851 7.482 378 HD13 LEU 48 HD13 LEU 48 6.763 0.297 6.220 379 HD21 LEU 48 HD21 LEU 48 10.329 0.836 8.445 380 HD22 LEU 48 HD22 LEU 48 9.299 -0.567 8.737 381 HD23 LEU 48 HD23 LEU 48 8.769 1.036 9.243 382 H ARG 49 HN ARG 49 7.566 -2.776 6.977 383 HA ARG 49 HA ARG 49 6.611 -3.287 4.238 384 HB2 ARG 49 HB2 ARG 49 7.401 -5.379 5.298 385 HB3 ARG 49 HB1 ARG 49 6.269 -5.119 6.619 386 HG2 ARG 49 HG2 ARG 49 4.399 -5.288 5.070 387 HG3 ARG 49 HG1 ARG 49 5.523 -5.516 3.729 388 HD2 ARG 49 HD2 ARG 49 4.690 -7.657 4.370 389 HD3 ARG 49 HD1 ARG 49 6.373 -7.551 4.879 390 HE ARG 49 HE ARG 49 4.527 -6.805 6.949 391 HH11 ARG 49 HH11 ARG 49 6.073 -9.492 5.347 392 HH12 ARG 49 HH12 ARG 49 5.949 -10.568 6.704 393 HH21 ARG 49 HH21 ARG 49 4.310 -8.207 8.741 394 HH22 ARG 49 HH22 ARG 49 4.912 -9.832 8.639 395 H ILE 50 HN ILE 50 4.566 -2.705 3.820 396 HA ILE 50 HA ILE 50 2.874 -1.902 6.100 397 HB ILE 50 HB ILE 50 2.889 -0.473 3.427 398 HG12 ILE 50 HG12 ILE 50 3.840 1.470 4.771 399 HG13 ILE 50 HG11 ILE 50 4.232 0.301 6.021 400 HG21 ILE 50 HG21 ILE 50 0.780 -0.421 4.662 401 HG22 ILE 50 HG22 ILE 50 1.523 1.176 4.566 402 HG23 ILE 50 HG23 ILE 50 1.622 0.247 6.060 403 HD11 ILE 50 HD11 ILE 50 6.103 0.950 4.498 404 HD12 ILE 50 HD12 ILE 50 5.256 0.093 3.208 405 HD13 ILE 50 HD13 ILE 50 5.803 -0.782 4.644 406 H LEU 51 HN LEU 51 0.846 -2.695 6.063 407 HA LEU 51 HA LEU 51 0.041 -4.196 3.662 408 HB2 LEU 51 HB2 LEU 51 -0.200 -4.768 6.572 409 HB3 LEU 51 HB1 LEU 51 -1.510 -5.290 5.536 410 HG LEU 51 HG LEU 51 0.093 -7.087 5.956 411 HD11 LEU 51 HD11 LEU 51 0.424 -7.773 3.656 412 HD12 LEU 51 HD12 LEU 51 0.142 -6.121 3.107 413 HD13 LEU 51 HD13 LEU 51 -1.162 -7.034 3.864 414 HD21 LEU 51 HD21 LEU 51 2.073 -5.333 4.515 415 HD22 LEU 51 HD22 LEU 51 2.343 -6.998 5.032 416 HD23 LEU 51 HD23 LEU 51 2.107 -5.729 6.233 417 H ILE 52 HN ILE 52 -1.615 -3.353 2.615 418 HA ILE 52 HA ILE 52 -3.633 -1.877 4.178 419 HB ILE 52 HB ILE 52 -2.868 -1.208 1.333 420 HG12 ILE 52 HG12 ILE 52 -2.095 0.988 2.599 421 HG13 ILE 52 HG11 ILE 52 -1.864 -0.135 3.939 422 HG21 ILE 52 HG21 ILE 52 -5.166 -0.684 1.937 423 HG22 ILE 52 HG22 ILE 52 -4.225 0.791 1.708 424 HG23 ILE 52 HG23 ILE 52 -4.601 0.227 3.336 425 HD11 ILE 52 HD11 ILE 52 -0.343 -1.453 2.591 426 HD12 ILE 52 HD12 ILE 52 0.188 0.227 2.680 427 HD13 ILE 52 HD13 ILE 52 -0.599 -0.374 1.220 428 H GLU 53 HN GLU 53 -5.257 -3.325 4.269 429 HA GLU 53 HA GLU 53 -6.090 -4.536 1.719 430 HB2 GLU 53 HB2 GLU 53 -6.986 -6.404 2.916 431 HB3 GLU 53 HB1 GLU 53 -5.332 -6.161 3.453 432 HG2 GLU 53 HG2 GLU 53 -6.228 -4.951 5.426 433 HG3 GLU 53 HG1 GLU 53 -7.846 -5.416 4.913 434 H ASN 54 HN ASN 54 -8.330 -4.759 1.359 435 HA ASN 54 HA ASN 54 -9.817 -2.485 2.447 436 HB2 ASN 54 HB2 ASN 54 -9.577 -2.842 -0.052 437 HB3 ASN 54 HB1 ASN 54 -10.588 -4.267 0.151 438 HD21 ASN 54 HD21 ASN 54 -11.079 -1.351 2.002 439 HD22 ASN 54 HD22 ASN 54 -12.568 -0.913 1.247 440 H LYS 55 HN LYS 55 -10.996 -2.946 4.172 441 HA LYS 55 HA LYS 55 -12.676 -5.346 4.068 442 HB2 LYS 55 HB2 LYS 55 -12.403 -5.515 6.568 443 HB3 LYS 55 HB1 LYS 55 -10.996 -5.954 5.614 444 HG2 LYS 55 HG2 LYS 55 -9.937 -3.853 6.113 445 HG3 LYS 55 HG1 LYS 55 -11.385 -3.281 6.944 446 HD2 LYS 55 HD2 LYS 55 -9.611 -4.090 8.485 447 HD3 LYS 55 HD1 LYS 55 -11.138 -4.962 8.646 448 HE2 LYS 55 HE2 LYS 55 -10.277 -6.772 7.287 449 HE3 LYS 55 HE1 LYS 55 -8.764 -5.899 7.045 450 HZ1 LYS 55 HZ1 LYS 55 -9.806 -6.981 9.604 451 HZ2 LYS 55 HZ2 LYS 55 -8.446 -5.980 9.488 452 HZ3 LYS 55 HZ3 LYS 55 -8.441 -7.507 8.755 453 H ALA 56 HN ALA 56 -14.435 -4.265 3.471 454 HA ALA 56 HA ALA 56 -15.623 -2.480 5.482 455 HB1 ALA 56 HB1 ALA 56 -14.762 -1.167 3.561 456 HB2 ALA 56 HB2 ALA 56 -16.512 -1.055 3.744 457 HB3 ALA 56 HB3 ALA 56 -15.822 -2.094 2.502 458 HA PRO 57 HA PRO 57 -19.325 -4.964 5.120 459 HB2 PRO 57 HB2 PRO 57 -21.233 -2.985 5.105 460 HB3 PRO 57 HB1 PRO 57 -20.468 -3.617 6.565 461 HG2 PRO 57 HG2 PRO 57 -19.838 -1.140 5.018 462 HG3 PRO 57 HG1 PRO 57 -19.887 -1.384 6.774 463 HD2 PRO 57 HD2 PRO 57 -17.567 -1.295 5.438 464 HD3 PRO 57 HD1 PRO 57 -17.799 -2.386 6.814 465 H ASN 58 HN ASN 58 -18.616 -2.385 2.951 466 HA ASN 58 HA ASN 58 -19.988 -3.811 0.806 467 HB2 ASN 58 HB2 ASN 58 -20.321 -0.858 1.363 468 HB3 ASN 58 HB1 ASN 58 -20.875 -1.667 -0.100 469 HD21 ASN 58 HD21 ASN 58 -21.305 -1.379 3.351 470 HD22 ASN 58 HD22 ASN 58 -22.878 -2.089 3.419 471 H SER 59 HN SER 59 -18.742 -0.600 0.531 472 HA SER 59 HA SER 59 -16.913 0.329 -0.412 473 HB2 SER 59 HB2 SER 59 -15.523 -1.043 1.016 474 HB3 SER 59 HB1 SER 59 -15.680 -2.407 -0.084 475 HG SER 59 HG SER 59 -13.915 -1.624 -0.911 476 H LYS 60 HN LYS 60 -16.339 0.820 -2.379 477 HA LYS 60 HA LYS 60 -16.592 -1.147 -4.521 478 HB2 LYS 60 HB2 LYS 60 -17.846 1.604 -4.533 479 HB3 LYS 60 HB1 LYS 60 -17.713 0.567 -5.947 480 HG2 LYS 60 HG2 LYS 60 -19.123 -1.098 -4.884 481 HG3 LYS 60 HG1 LYS 60 -19.212 -0.114 -3.425 482 HD2 LYS 60 HD2 LYS 60 -20.267 1.685 -4.783 483 HD3 LYS 60 HD1 LYS 60 -20.297 0.572 -6.151 484 HE2 LYS 60 HE2 LYS 60 -21.621 0.089 -3.484 485 HE3 LYS 60 HE1 LYS 60 -22.445 0.660 -4.933 486 HZ1 LYS 60 HZ1 LYS 60 -21.045 -1.947 -4.659 487 HZ2 LYS 60 HZ2 LYS 60 -21.846 -1.402 -6.042 488 HZ3 LYS 60 HZ3 LYS 60 -22.720 -1.719 -4.631 489 HA PRO 61 HA PRO 61 -12.572 1.134 -4.375 490 HB2 PRO 61 HB2 PRO 61 -11.168 -0.953 -5.474 491 HB3 PRO 61 HB1 PRO 61 -11.442 -0.735 -3.742 492 HG2 PRO 61 HG2 PRO 61 -12.905 -2.464 -5.689 493 HG3 PRO 61 HG1 PRO 61 -12.391 -2.833 -4.033 494 HD2 PRO 61 HD2 PRO 61 -14.929 -2.186 -4.599 495 HD3 PRO 61 HD1 PRO 61 -14.157 -1.649 -3.090 496 H ASP 62 HN ASP 62 -11.729 2.303 -5.898 497 HA ASP 62 HA ASP 62 -12.842 2.226 -8.554 498 HB2 ASP 62 HB2 ASP 62 -12.630 4.370 -7.492 499 HB3 ASP 62 HB1 ASP 62 -10.926 4.102 -7.161 500 H ARG 63 HN ARG 63 -9.457 2.801 -7.649 501 HA ARG 63 HA ARG 63 -8.483 0.401 -8.844 502 HB2 ARG 63 HB2 ARG 63 -7.250 1.408 -10.684 503 HB3 ARG 63 HB1 ARG 63 -8.968 1.727 -10.879 504 HG2 ARG 63 HG2 ARG 63 -8.435 3.961 -9.684 505 HG3 ARG 63 HG1 ARG 63 -6.769 3.608 -10.153 506 HD2 ARG 63 HD2 ARG 63 -7.435 3.444 -12.474 507 HD3 ARG 63 HD1 ARG 63 -9.120 3.703 -12.023 508 HE ARG 63 HE ARG 63 -7.267 5.804 -11.262 509 HH11 ARG 63 HH11 ARG 63 -9.556 4.625 -13.630 510 HH12 ARG 63 HH12 ARG 63 -9.881 6.194 -14.290 511 HH21 ARG 63 HH21 ARG 63 -7.678 7.873 -12.133 512 HH22 ARG 63 HH22 ARG 63 -8.808 8.045 -13.438 513 H PHE 64 HN PHE 64 -5.951 0.639 -9.011 514 HA PHE 64 HA PHE 64 -5.093 2.236 -6.692 515 HB2 PHE 64 HB2 PHE 64 -4.118 -0.441 -7.684 516 HB3 PHE 64 HB1 PHE 64 -3.233 0.524 -6.506 517 HD1 PHE 64 HD2 PHE 64 -4.172 0.944 -4.295 518 HD2 PHE 64 HD1 PHE 64 -6.087 -1.642 -7.074 519 HE1 PHE 64 HE2 PHE 64 -5.524 -0.007 -2.470 520 HE2 PHE 64 HE1 PHE 64 -7.445 -2.595 -5.258 521 HZ PHE 64 HZ PHE 64 -7.167 -1.777 -2.953 522 H SER 65 HN SER 65 -3.946 3.941 -7.263 523 HA SER 65 HA SER 65 -1.821 3.567 -9.248 524 HB2 SER 65 HB2 SER 65 -3.629 6.000 -9.157 525 HB3 SER 65 HB1 SER 65 -2.293 5.731 -10.276 526 HG SER 65 HG SER 65 -3.774 3.632 -10.549 527 HA PRO 66 HA PRO 66 -0.301 5.480 -5.353 528 HB2 PRO 66 HB2 PRO 66 1.758 3.793 -4.948 529 HB3 PRO 66 HB1 PRO 66 0.103 3.394 -4.478 530 HG2 PRO 66 HG2 PRO 66 1.671 2.484 -6.848 531 HG3 PRO 66 HG1 PRO 66 0.528 1.581 -5.841 532 HD2 PRO 66 HD2 PRO 66 -0.063 2.674 -8.303 533 HD3 PRO 66 HD1 PRO 66 -1.263 2.276 -7.055 534 H SER 67 HN SER 67 1.598 6.650 -4.894 535 HA SER 67 HA SER 67 3.812 6.659 -6.724 536 HB2 SER 67 HB2 SER 67 3.662 8.987 -7.423 537 HB3 SER 67 HB1 SER 67 2.218 8.121 -7.940 538 HG SER 67 HG SER 67 1.243 9.723 -6.985 539 H TYR 68 HN TYR 68 5.622 7.766 -5.902 540 HA TYR 68 HA TYR 68 5.387 8.312 -3.025 541 HB2 TYR 68 HB2 TYR 68 6.832 6.427 -3.480 542 HB3 TYR 68 HB1 TYR 68 7.744 7.360 -4.661 543 HD1 TYR 68 HD2 TYR 68 6.730 7.644 -1.068 544 HD2 TYR 68 HD1 TYR 68 9.786 8.157 -3.983 545 HE1 TYR 68 HE2 TYR 68 8.275 8.371 0.694 546 HE2 TYR 68 HE1 TYR 68 11.337 8.894 -2.223 547 HH TYR 68 HH TYR 68 11.307 9.814 -0.000 548 H ASN 69 HN ASN 69 5.470 10.345 -2.490 549 HA ASN 69 HA ASN 69 6.952 12.211 -4.193 550 HB2 ASN 69 HB2 ASN 69 5.789 13.937 -2.642 551 HB3 ASN 69 HB1 ASN 69 4.842 13.125 -3.882 552 HD21 ASN 69 HD21 ASN 69 5.306 13.619 -0.522 553 HD22 ASN 69 HD22 ASN 69 3.946 12.707 0.020 554 H PHE 70 HN PHE 70 8.979 12.495 -3.680 555 HA PHE 70 HA PHE 70 10.195 11.712 -1.271 556 HB2 PHE 70 HB2 PHE 70 11.133 13.611 -3.428 557 HB3 PHE 70 HB1 PHE 70 12.145 13.087 -2.092 558 HD1 PHE 70 HD1 PHE 70 10.336 11.950 -5.096 559 HD2 PHE 70 HD2 PHE 70 13.242 11.010 -2.134 560 HE1 PHE 70 HE1 PHE 70 11.044 10.000 -6.410 561 HE2 PHE 70 HE2 PHE 70 13.952 9.054 -3.442 562 HZ PHE 70 HZ PHE 70 12.853 8.548 -5.587 563 H ALA 71 HN ALA 71 8.842 14.711 -2.364 564 HA ALA 71 HA ALA 71 9.969 16.562 -0.679 565 HB1 ALA 71 HB1 ALA 71 8.484 17.098 -2.545 566 HB2 ALA 71 HB2 ALA 71 7.975 17.902 -1.059 567 HB3 ALA 71 HB3 ALA 71 7.113 16.473 -1.630 568 H GLU 72 HN GLU 72 7.174 14.468 -0.029 569 HA GLU 72 HA GLU 72 7.286 15.334 2.787 570 HB2 GLU 72 HB2 GLU 72 4.976 13.829 1.614 571 HB3 GLU 72 HB1 GLU 72 5.003 14.899 3.006 572 HG2 GLU 72 HG2 GLU 72 5.312 15.795 0.156 573 HG3 GLU 72 HG1 GLU 72 3.800 15.830 1.062 574 H ASN 73 HN ASN 73 8.434 13.071 0.883 575 HA ASN 73 HA ASN 73 8.958 10.871 0.894 576 HB2 ASN 73 HB2 ASN 73 9.853 9.992 3.060 577 HB3 ASN 73 HB1 ASN 73 10.533 11.535 2.569 578 HD21 ASN 73 HD21 ASN 73 8.372 9.934 4.786 579 HD22 ASN 73 HD22 ASN 73 8.285 11.224 5.936 580 H ILE 74 HN ILE 74 6.322 11.130 0.658 581 HA ILE 74 HA ILE 74 5.248 8.959 2.333 582 HB ILE 74 HB ILE 74 3.889 11.442 1.303 583 HG12 ILE 74 HG12 ILE 74 3.881 10.341 4.097 584 HG13 ILE 74 HG11 ILE 74 5.231 11.300 3.508 585 HG21 ILE 74 HG21 ILE 74 2.589 8.998 2.502 586 HG22 ILE 74 HG22 ILE 74 2.376 9.602 0.857 587 HG23 ILE 74 HG23 ILE 74 1.786 10.544 2.230 588 HD11 ILE 74 HD11 ILE 74 3.715 13.144 3.066 589 HD12 ILE 74 HD12 ILE 74 3.675 12.650 4.758 590 HD13 ILE 74 HD13 ILE 74 2.366 12.182 3.671 591 H LEU 75 HN LEU 75 4.378 7.271 1.340 592 HA LEU 75 HA LEU 75 4.191 7.282 -1.588 593 HB2 LEU 75 HB2 LEU 75 5.598 5.553 -0.503 594 HB3 LEU 75 HB1 LEU 75 4.211 4.997 0.403 595 HG LEU 75 HG LEU 75 4.989 3.647 -1.655 596 HD11 LEU 75 HD11 LEU 75 2.675 3.029 -2.222 597 HD12 LEU 75 HD12 LEU 75 2.101 4.430 -1.315 598 HD13 LEU 75 HD13 LEU 75 2.953 3.128 -0.484 599 HD21 LEU 75 HD21 LEU 75 3.453 5.838 -3.034 600 HD22 LEU 75 HD22 LEU 75 3.992 4.332 -3.775 601 HD23 LEU 75 HD23 LEU 75 5.175 5.507 -3.203 602 H TYR 76 HN TYR 76 2.195 8.065 -2.107 603 HA TYR 76 HA TYR 76 -0.063 7.410 -0.411 604 HB2 TYR 76 HB2 TYR 76 -0.956 9.316 -1.198 605 HB3 TYR 76 HB1 TYR 76 0.577 9.601 -2.012 606 HD1 TYR 76 HD1 TYR 76 0.832 8.965 -4.392 607 HD2 TYR 76 HD2 TYR 76 -2.922 8.777 -2.424 608 HE1 TYR 76 HE1 TYR 76 -0.300 8.882 -6.568 609 HE2 TYR 76 HE2 TYR 76 -4.069 8.702 -4.594 610 HH TYR 76 HH TYR 76 -2.447 8.082 -7.493 611 H ILE 77 HN ILE 77 -1.821 6.183 -1.036 612 HA ILE 77 HA ILE 77 -1.269 4.307 -3.213 613 HB ILE 77 HB ILE 77 -3.241 4.171 -0.918 614 HG12 ILE 77 HG12 ILE 77 -0.896 3.803 -0.276 615 HG13 ILE 77 HG11 ILE 77 -1.841 2.327 -0.120 616 HG21 ILE 77 HG21 ILE 77 -4.186 3.108 -2.882 617 HG22 ILE 77 HG22 ILE 77 -3.738 1.896 -1.681 618 HG23 ILE 77 HG23 ILE 77 -2.719 2.154 -3.098 619 HD11 ILE 77 HD11 ILE 77 0.082 3.007 -2.330 620 HD12 ILE 77 HD12 ILE 77 -0.924 1.561 -2.278 621 HD13 ILE 77 HD13 ILE 77 0.313 1.819 -1.048 622 H ASN 78 HN ASN 78 -4.071 5.997 -1.836 623 HA ASN 78 HA ASN 78 -5.006 6.689 -4.509 624 HB2 ASN 78 HB2 ASN 78 -6.516 4.965 -2.553 625 HB3 ASN 78 HB1 ASN 78 -7.376 5.987 -3.695 626 HD21 ASN 78 HD21 ASN 78 -7.270 3.074 -3.438 627 HD22 ASN 78 HD22 ASN 78 -6.755 2.496 -4.981 628 H GLY 79 HN GLY 79 -7.229 7.992 -4.095 629 HA2 GLY 79 HA2 GLY 79 -6.539 10.196 -2.408 630 HA3 GLY 79 HA1 GLY 79 -8.052 9.987 -3.280 631 H LYS 80 HN LYS 80 -7.503 7.256 -1.540 632 HA LYS 80 HA LYS 80 -9.457 8.001 0.475 633 HB2 LYS 80 HB2 LYS 80 -8.183 5.297 0.043 634 HB3 LYS 80 HB1 LYS 80 -9.687 5.654 0.880 635 HG2 LYS 80 HG2 LYS 80 -9.203 6.009 -2.066 636 HG3 LYS 80 HG1 LYS 80 -10.065 4.659 -1.322 637 HD2 LYS 80 HD2 LYS 80 -11.714 6.247 -0.410 638 HD3 LYS 80 HD1 LYS 80 -10.866 7.568 -1.213 639 HE2 LYS 80 HE2 LYS 80 -11.304 6.508 -3.386 640 HE3 LYS 80 HE1 LYS 80 -12.172 5.211 -2.567 641 HZ1 LYS 80 HZ1 LYS 80 -12.932 8.075 -2.687 642 HZ2 LYS 80 HZ2 LYS 80 -13.697 6.948 -1.691 643 HZ3 LYS 80 HZ3 LYS 80 -13.759 6.766 -3.369 644 H LEU 81 HN LEU 81 -6.145 6.860 0.165 645 HA LEU 81 HA LEU 81 -5.440 8.027 2.662 646 HB2 LEU 81 HB2 LEU 81 -4.506 5.866 3.604 647 HB3 LEU 81 HB1 LEU 81 -6.231 6.128 3.729 648 HG LEU 81 HG LEU 81 -6.546 4.612 1.764 649 HD11 LEU 81 HD11 LEU 81 -3.634 3.961 2.189 650 HD12 LEU 81 HD12 LEU 81 -4.275 4.869 0.820 651 HD13 LEU 81 HD13 LEU 81 -4.739 3.181 1.055 652 HD21 LEU 81 HD21 LEU 81 -6.028 2.558 3.039 653 HD22 LEU 81 HD22 LEU 81 -6.875 3.785 3.982 654 HD23 LEU 81 HD23 LEU 81 -5.141 3.547 4.198 655 H SER 82 HN SER 82 -3.242 8.126 3.075 656 HA SER 82 HA SER 82 -1.501 7.229 0.882 657 HB2 SER 82 HB2 SER 82 -0.055 9.215 1.499 658 HB3 SER 82 HB1 SER 82 -1.608 9.624 0.771 659 HG SER 82 HG SER 82 -2.309 10.403 2.634 660 H ILE 83 HN ILE 83 0.552 6.409 1.487 661 HA ILE 83 HA ILE 83 0.656 5.543 4.291 662 HB ILE 83 HB ILE 83 2.109 4.436 1.881 663 HG12 ILE 83 HG12 ILE 83 -0.258 3.945 1.753 664 HG13 ILE 83 HG11 ILE 83 0.606 2.478 2.200 665 HG21 ILE 83 HG21 ILE 83 2.755 2.595 3.363 666 HG22 ILE 83 HG22 ILE 83 1.996 3.426 4.722 667 HG23 ILE 83 HG23 ILE 83 3.398 4.139 3.922 668 HD11 ILE 83 HD11 ILE 83 -0.936 4.272 4.060 669 HD12 ILE 83 HD12 ILE 83 -0.041 2.830 4.538 670 HD13 ILE 83 HD13 ILE 83 -1.438 2.688 3.471 671 HA PRO 84 HA PRO 84 4.035 8.514 4.361 672 HB2 PRO 84 HB2 PRO 84 3.920 9.066 6.982 673 HB3 PRO 84 HB1 PRO 84 2.762 9.737 5.831 674 HG2 PRO 84 HG2 PRO 84 2.438 7.489 7.756 675 HG3 PRO 84 HG1 PRO 84 1.259 8.710 7.251 676 HD2 PRO 84 HD2 PRO 84 1.402 6.103 6.286 677 HD3 PRO 84 HD1 PRO 84 0.561 7.448 5.493 678 H LEU 85 HN LEU 85 6.090 8.033 4.506 679 HA LEU 85 HA LEU 85 6.883 5.668 6.031 680 HB2 LEU 85 HB2 LEU 85 8.316 7.231 3.878 681 HB3 LEU 85 HB1 LEU 85 9.036 5.895 4.751 682 HG LEU 85 HG LEU 85 8.356 4.964 2.722 683 HD11 LEU 85 HD11 LEU 85 6.576 3.408 3.270 684 HD12 LEU 85 HD12 LEU 85 6.101 4.412 4.638 685 HD13 LEU 85 HD13 LEU 85 7.674 3.615 4.635 686 HD21 LEU 85 HD21 LEU 85 6.154 5.280 1.717 687 HD22 LEU 85 HD22 LEU 85 7.008 6.811 1.912 688 HD23 LEU 85 HD23 LEU 85 5.713 6.374 3.028 689 HA PRO 86 HA PRO 86 8.934 8.092 9.120 690 HB2 PRO 86 HB2 PRO 86 10.955 6.358 9.757 691 HB3 PRO 86 HB1 PRO 86 9.301 6.196 10.350 692 HG2 PRO 86 HG2 PRO 86 10.655 4.784 8.099 693 HG3 PRO 86 HG1 PRO 86 9.527 4.142 9.305 694 HD2 PRO 86 HD2 PRO 86 8.770 4.742 6.782 695 HD3 PRO 86 HD1 PRO 86 7.678 4.921 8.170 696 H ARG 87 HN ARG 87 10.572 9.526 9.198 697 HA ARG 87 HA ARG 87 11.983 10.025 6.756 698 HB2 ARG 87 HB2 ARG 87 11.927 11.402 9.436 699 HB3 ARG 87 HB1 ARG 87 13.009 11.921 8.155 700 HG2 ARG 87 HG2 ARG 87 11.019 13.295 8.211 701 HG3 ARG 87 HG1 ARG 87 11.088 12.370 6.711 702 HD2 ARG 87 HD2 ARG 87 8.828 12.423 7.675 703 HD3 ARG 87 HD1 ARG 87 9.476 10.787 7.578 704 HE ARG 87 HE ARG 87 9.887 12.084 10.124 705 HH11 ARG 87 HH11 ARG 87 7.710 10.129 8.195 706 HH12 ARG 87 HH12 ARG 87 6.931 9.415 9.574 707 HH21 ARG 87 HH21 ARG 87 8.860 11.147 11.929 708 HH22 ARG 87 HH22 ARG 87 7.585 9.993 11.692 709 H ASP 88 HN ASP 88 12.569 8.028 9.295 710 HA ASP 88 HA ASP 88 15.421 8.395 9.534 711 HB2 ASP 88 HB2 ASP 88 14.060 7.647 11.446 712 HB3 ASP 88 HB1 ASP 88 13.598 6.204 10.555 713 H ILE 89 HN ILE 89 13.381 6.947 7.318 714 HA ILE 89 HA ILE 89 15.415 4.976 6.506 715 HB ILE 89 HB ILE 89 12.436 4.921 5.992 716 HG12 ILE 89 HG12 ILE 89 14.173 3.241 7.815 717 HG13 ILE 89 HG11 ILE 89 13.007 4.454 8.331 718 HG21 ILE 89 HG21 ILE 89 12.832 2.684 5.079 719 HG22 ILE 89 HG22 ILE 89 14.566 2.887 5.322 720 HG23 ILE 89 HG23 ILE 89 13.713 3.910 4.167 721 HD11 ILE 89 HD11 ILE 89 11.214 3.102 7.328 722 HD12 ILE 89 HD12 ILE 89 12.080 2.264 8.614 723 HD13 ILE 89 HD13 ILE 89 12.407 1.867 6.926 724 H VAL 90 HN VAL 90 16.224 5.090 4.492 725 HA VAL 90 HA VAL 90 15.431 7.293 2.791 726 HB VAL 90 HB VAL 90 17.796 6.906 2.965 727 HG11 VAL 90 HG11 VAL 90 18.873 4.845 2.208 728 HG12 VAL 90 HG12 VAL 90 17.291 4.126 1.916 729 HG13 VAL 90 HG13 VAL 90 17.779 4.543 3.557 730 HG21 VAL 90 HG21 VAL 90 17.013 7.697 0.812 731 HG22 VAL 90 HG22 VAL 90 16.791 6.038 0.261 732 HG23 VAL 90 HG23 VAL 90 18.412 6.642 0.604 733 H VAL 91 HN VAL 91 13.796 7.101 1.430 734 HA VAL 91 HA VAL 91 13.198 4.429 0.334 735 HB VAL 91 HB VAL 91 11.203 6.584 1.053 736 HG11 VAL 91 HG11 VAL 91 10.502 5.260 -0.860 737 HG12 VAL 91 HG12 VAL 91 9.509 4.906 0.554 738 HG13 VAL 91 HG13 VAL 91 10.771 3.778 0.058 739 HG21 VAL 91 HG21 VAL 91 12.132 5.571 3.049 740 HG22 VAL 91 HG22 VAL 91 11.804 3.961 2.408 741 HG23 VAL 91 HG23 VAL 91 10.468 5.037 2.814 742 H ASN 92 HN ASN 92 13.070 4.256 -1.779 743 HA ASN 92 HA ASN 92 12.476 6.588 -3.434 744 HB2 ASN 92 HB2 ASN 92 14.383 5.308 -4.950 745 HB3 ASN 92 HB1 ASN 92 14.637 6.793 -4.042 746 HD21 ASN 92 HD21 ASN 92 14.824 3.288 -3.812 747 HD22 ASN 92 HD22 ASN 92 16.151 3.252 -2.703 748 H ALA 93 HN ALA 93 12.074 5.918 -5.725 749 HA ALA 93 HA ALA 93 10.025 3.987 -5.751 750 HB1 ALA 93 HB1 ALA 93 10.081 5.941 -7.221 751 HB2 ALA 93 HB2 ALA 93 9.888 4.443 -8.132 752 HB3 ALA 93 HB3 ALA 93 11.455 5.248 -8.084 753 H ALA 94 HN ALA 94 13.379 3.693 -6.163 754 HA ALA 94 HA ALA 94 13.293 1.260 -7.731 755 HB1 ALA 94 HB1 ALA 94 15.131 2.869 -7.995 756 HB2 ALA 94 HB2 ALA 94 15.711 1.273 -7.520 757 HB3 ALA 94 HB3 ALA 94 15.618 2.568 -6.327 758 H ASP 95 HN ASP 95 12.954 2.101 -4.504 759 HA ASP 95 HA ASP 95 13.922 -0.503 -3.524 760 HB2 ASP 95 HB2 ASP 95 14.854 1.725 -2.628 761 HB3 ASP 95 HB1 ASP 95 13.294 1.923 -1.845 762 H ILE 96 HN ILE 96 11.242 1.578 -3.921 763 HA ILE 96 HA ILE 96 9.426 0.370 -2.090 764 HB ILE 96 HB ILE 96 9.091 2.187 -4.472 765 HG12 ILE 96 HG12 ILE 96 8.628 2.779 -1.557 766 HG13 ILE 96 HG11 ILE 96 10.196 2.987 -2.333 767 HG21 ILE 96 HG21 ILE 96 7.063 0.824 -4.197 768 HG22 ILE 96 HG22 ILE 96 6.776 2.527 -3.838 769 HG23 ILE 96 HG23 ILE 96 6.942 1.360 -2.521 770 HD11 ILE 96 HD11 ILE 96 9.271 4.596 -3.855 771 HD12 ILE 96 HD12 ILE 96 8.911 5.069 -2.194 772 HD13 ILE 96 HD13 ILE 96 7.655 4.339 -3.195 773 H LYS 97 HN LYS 97 8.686 -1.626 -2.297 774 HA LYS 97 HA LYS 97 8.189 -2.698 -4.998 775 HB2 LYS 97 HB2 LYS 97 8.333 -4.336 -2.475 776 HB3 LYS 97 HB1 LYS 97 8.533 -4.871 -4.133 777 HG2 LYS 97 HG2 LYS 97 10.461 -3.167 -2.574 778 HG3 LYS 97 HG1 LYS 97 10.651 -4.877 -2.957 779 HD2 LYS 97 HD2 LYS 97 10.416 -2.702 -5.034 780 HD3 LYS 97 HD1 LYS 97 11.952 -3.308 -4.418 781 HE2 LYS 97 HE2 LYS 97 9.840 -4.945 -5.821 782 HE3 LYS 97 HE1 LYS 97 11.348 -4.376 -6.536 783 HZ1 LYS 97 HZ1 LYS 97 11.067 -6.303 -4.290 784 HZ2 LYS 97 HZ2 LYS 97 12.543 -5.688 -4.842 785 HZ3 LYS 97 HZ3 LYS 97 11.594 -6.647 -5.860 786 H ILE 98 HN ILE 98 6.109 -2.066 -5.418 787 HA ILE 98 HA ILE 98 4.080 -2.510 -3.348 788 HB ILE 98 HB ILE 98 3.779 -1.049 -5.979 789 HG12 ILE 98 HG12 ILE 98 4.203 0.008 -3.178 790 HG13 ILE 98 HG11 ILE 98 5.329 0.134 -4.523 791 HG21 ILE 98 HG21 ILE 98 1.697 -0.206 -5.022 792 HG22 ILE 98 HG22 ILE 98 1.970 -1.168 -3.570 793 HG23 ILE 98 HG23 ILE 98 1.685 -1.966 -5.116 794 HD11 ILE 98 HD11 ILE 98 4.210 2.237 -4.184 795 HD12 ILE 98 HD12 ILE 98 2.635 1.457 -4.315 796 HD13 ILE 98 HD13 ILE 98 3.698 1.538 -5.719 797 H PHE 99 HN PHE 99 3.023 -4.352 -3.389 798 HA PHE 99 HA PHE 99 2.305 -5.540 -5.977 799 HB2 PHE 99 HB2 PHE 99 3.424 -6.926 -3.546 800 HB3 PHE 99 HB1 PHE 99 2.535 -7.788 -4.794 801 HD1 PHE 99 HD2 PHE 99 5.601 -5.882 -4.070 802 HD2 PHE 99 HD1 PHE 99 3.535 -8.335 -6.860 803 HE1 PHE 99 HE2 PHE 99 7.679 -6.169 -5.355 804 HE2 PHE 99 HE1 PHE 99 5.608 -8.630 -8.146 805 HZ PHE 99 HZ PHE 99 7.686 -7.544 -7.394 806 H HIS 100 HN HIS 100 0.184 -5.737 -6.154 807 HA HIS 100 HA HIS 100 -1.403 -5.773 -3.677 808 HB2 HIS 100 HB2 HIS 100 -1.878 -3.791 -4.962 809 HB3 HIS 100 HB1 HIS 100 -2.122 -4.740 -6.421 810 HD1 HIS 100 HD1 HIS 100 -3.683 -4.626 -2.936 811 HD2 HIS 100 HD2 HIS 100 -4.721 -5.110 -6.922 812 HE1 HIS 100 HE1 HIS 100 -6.182 -4.883 -2.952 813 HE2 HIS 100 HE2 HIS 100 -6.798 -4.989 -5.393 814 H ILE 101 HN ILE 101 -2.458 -7.534 -3.199 815 HA ILE 101 HA ILE 101 -2.922 -9.552 -5.280 816 HB ILE 101 HB ILE 101 -2.938 -9.780 -2.266 817 HG12 ILE 101 HG12 ILE 101 -1.023 -10.925 -4.312 818 HG13 ILE 101 HG11 ILE 101 -0.696 -9.524 -3.294 819 HG21 ILE 101 HG21 ILE 101 -4.565 -11.288 -3.306 820 HG22 ILE 101 HG22 ILE 101 -3.223 -12.166 -2.574 821 HG23 ILE 101 HG23 ILE 101 -3.289 -11.954 -4.325 822 HD11 ILE 101 HD11 ILE 101 -0.932 -10.944 -1.310 823 HD12 ILE 101 HD12 ILE 101 0.367 -11.477 -2.380 824 HD13 ILE 101 HD13 ILE 101 -1.173 -12.339 -2.361 825 H ARG 102 HN ARG 102 -4.895 -9.423 -6.163 826 HA ARG 102 HA ARG 102 -7.107 -8.173 -4.856 827 HB2 ARG 102 HB2 ARG 102 -7.018 -9.889 -7.346 828 HB3 ARG 102 HB1 ARG 102 -8.418 -8.974 -6.810 829 HG2 ARG 102 HG2 ARG 102 -7.200 -6.895 -7.101 830 HG3 ARG 102 HG1 ARG 102 -5.757 -7.790 -7.575 831 HD2 ARG 102 HD2 ARG 102 -7.075 -8.757 -9.466 832 HD3 ARG 102 HD1 ARG 102 -8.392 -7.668 -9.034 833 HE ARG 102 HE ARG 102 -6.088 -6.119 -9.356 834 HH11 ARG 102 HH11 ARG 102 -8.209 -8.111 -11.307 835 HH12 ARG 102 HH12 ARG 102 -7.881 -7.249 -12.773 836 HH21 ARG 102 HH21 ARG 102 -5.641 -4.989 -11.286 837 HH22 ARG 102 HH22 ARG 102 -6.420 -5.478 -12.764 838 H LYS 103 HN LYS 103 -5.852 -11.373 -4.970 839 HA LYS 103 HA LYS 103 -8.149 -12.886 -4.462 840 HB2 LYS 103 HB2 LYS 103 -6.029 -13.883 -5.139 841 HB3 LYS 103 HB1 LYS 103 -5.288 -13.378 -3.629 842 HG2 LYS 103 HG2 LYS 103 -6.758 -14.868 -2.393 843 HG3 LYS 103 HG1 LYS 103 -7.542 -15.357 -3.894 844 HD2 LYS 103 HD2 LYS 103 -5.895 -17.015 -3.196 845 HD3 LYS 103 HD1 LYS 103 -5.412 -16.252 -4.712 846 HE2 LYS 103 HE2 LYS 103 -3.883 -14.785 -3.491 847 HE3 LYS 103 HE1 LYS 103 -4.373 -15.532 -1.972 848 HZ1 LYS 103 HZ1 LYS 103 -2.984 -16.873 -4.232 849 HZ2 LYS 103 HZ2 LYS 103 -3.518 -17.650 -2.822 850 HZ3 LYS 103 HZ3 LYS 103 -2.313 -16.473 -2.730 851 H GLU 104 HN GLU 104 -5.787 -11.526 -2.168 852 HA GLU 104 HA GLU 104 -7.616 -12.077 0.043 853 HB2 GLU 104 HB2 GLU 104 -4.830 -10.895 0.079 854 HB3 GLU 104 HB1 GLU 104 -5.773 -11.334 1.493 855 HG2 GLU 104 HG2 GLU 104 -5.722 -13.683 0.760 856 HG3 GLU 104 HG1 GLU 104 -4.709 -13.210 -0.604 857 H ARG 105 HN ARG 105 -7.376 -9.827 -2.216 858 HA ARG 105 HA ARG 105 -7.680 -7.595 -2.488 859 HB2 ARG 105 HB2 ARG 105 -9.403 -7.998 -0.034 860 HB3 ARG 105 HB1 ARG 105 -9.451 -6.581 -1.076 861 HG2 ARG 105 HG2 ARG 105 -10.096 -8.039 -2.964 862 HG3 ARG 105 HG1 ARG 105 -10.142 -9.407 -1.852 863 HD2 ARG 105 HD2 ARG 105 -11.873 -8.267 -0.540 864 HD3 ARG 105 HD1 ARG 105 -11.837 -6.918 -1.675 865 HE ARG 105 HE ARG 105 -12.351 -9.471 -2.902 866 HH11 ARG 105 HH11 ARG 105 -13.797 -6.684 -1.361 867 HH12 ARG 105 HH12 ARG 105 -15.356 -6.942 -2.068 868 HH21 ARG 105 HH21 ARG 105 -14.406 -9.817 -3.831 869 HH22 ARG 105 HH22 ARG 105 -15.705 -8.723 -3.472 870 H THR 106 HN THR 106 -5.306 -8.236 -1.207 871 HA THR 106 HA THR 106 -5.066 -6.148 0.859 872 HB THR 106 HB THR 106 -3.597 -8.795 0.746 873 HG1 THR 106 HG1 THR 106 -5.963 -8.619 1.454 874 HG21 THR 106 HG21 THR 106 -3.540 -6.563 2.783 875 HG22 THR 106 HG22 THR 106 -2.215 -7.068 1.735 876 HG23 THR 106 HG23 THR 106 -2.800 -8.147 3.002 877 H LEU 107 HN LEU 107 -3.483 -4.692 0.572 878 HA LEU 107 HA LEU 107 -1.718 -5.043 -1.742 879 HB2 LEU 107 HB2 LEU 107 -3.233 -2.894 -0.882 880 HB3 LEU 107 HB1 LEU 107 -1.618 -2.476 -0.347 881 HG LEU 107 HG LEU 107 -2.438 -3.098 -3.184 882 HD11 LEU 107 HD11 LEU 107 -1.607 -0.513 -1.883 883 HD12 LEU 107 HD12 LEU 107 -3.235 -0.937 -2.410 884 HD13 LEU 107 HD13 LEU 107 -1.945 -0.749 -3.598 885 HD21 LEU 107 HD21 LEU 107 -0.168 -2.418 -3.782 886 HD22 LEU 107 HD22 LEU 107 -0.167 -3.849 -2.754 887 HD23 LEU 107 HD23 LEU 107 0.238 -2.275 -2.071 888 H TYR 108 HN TYR 108 0.269 -5.743 -1.362 889 HA TYR 108 HA TYR 108 1.437 -5.417 1.301 890 HB2 TYR 108 HB2 TYR 108 2.250 -7.151 -1.040 891 HB3 TYR 108 HB1 TYR 108 3.111 -7.074 0.492 892 HD1 TYR 108 HD1 TYR 108 -0.262 -7.814 -0.907 893 HD2 TYR 108 HD2 TYR 108 2.552 -8.538 2.196 894 HE1 TYR 108 HE1 TYR 108 -1.735 -9.540 0.013 895 HE2 TYR 108 HE2 TYR 108 1.084 -10.271 3.129 896 HH TYR 108 HH TYR 108 -1.636 -11.513 1.456 897 H ILE 109 HN ILE 109 2.750 -3.781 1.635 898 HA ILE 109 HA ILE 109 4.345 -2.720 -0.605 899 HB ILE 109 HB ILE 109 3.761 -1.409 2.053 900 HG12 ILE 109 HG12 ILE 109 1.700 -1.662 0.730 901 HG13 ILE 109 HG11 ILE 109 2.179 0.027 0.868 902 HG21 ILE 109 HG21 ILE 109 5.831 -0.663 0.989 903 HG22 ILE 109 HG22 ILE 109 4.619 0.619 1.026 904 HG23 ILE 109 HG23 ILE 109 4.931 -0.259 -0.473 905 HD11 ILE 109 HD11 ILE 109 3.105 -0.059 -1.387 906 HD12 ILE 109 HD12 ILE 109 1.394 -0.481 -1.362 907 HD13 ILE 109 HD13 ILE 109 2.613 -1.746 -1.523 908 H TYR 110 HN TYR 110 6.452 -3.223 -0.598 909 HA TYR 110 HA TYR 110 7.753 -3.728 2.003 910 HB2 TYR 110 HB2 TYR 110 8.456 -5.031 -0.639 911 HB3 TYR 110 HB1 TYR 110 9.265 -5.306 0.893 912 HD1 TYR 110 HD2 TYR 110 6.125 -5.851 -0.972 913 HD2 TYR 110 HD1 TYR 110 8.407 -6.909 2.469 914 HE1 TYR 110 HE2 TYR 110 4.621 -7.745 -0.557 915 HE2 TYR 110 HE1 TYR 110 6.905 -8.801 2.885 916 HH TYR 110 HH TYR 110 4.741 -9.598 2.369 917 H ILE 111 HN ILE 111 9.391 -2.376 2.434 918 HA ILE 111 HA ILE 111 10.762 -1.069 0.184 919 HB ILE 111 HB ILE 111 9.895 0.346 2.719 920 HG12 ILE 111 HG12 ILE 111 8.915 0.694 -0.125 921 HG13 ILE 111 HG11 ILE 111 8.023 -0.112 1.159 922 HG21 ILE 111 HG21 ILE 111 11.322 1.374 0.265 923 HG22 ILE 111 HG22 ILE 111 12.017 1.179 1.874 924 HG23 ILE 111 HG23 ILE 111 10.744 2.371 1.602 925 HD11 ILE 111 HD11 ILE 111 8.822 2.788 1.107 926 HD12 ILE 111 HD12 ILE 111 7.942 1.986 2.408 927 HD13 ILE 111 HD13 ILE 111 7.209 2.141 0.811 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 4.037 16.283 -4.977 2 H2 GLY 1 HT2 GLY 1 3.125 17.553 -4.345 3 H3 GLY 1 HT3 GLY 1 3.026 16.018 -3.648 4 HA2 GLY 1 HA1 GLY 1 4.371 17.485 -2.289 5 HA3 GLY 1 HA2 GLY 1 5.316 16.148 -2.930 6 HA PRO 2 HA PRO 2 6.405 20.472 -4.950 7 HB2 PRO 2 HB2 PRO 2 7.024 22.252 -2.994 8 HB3 PRO 2 HB1 PRO 2 5.405 22.106 -3.689 9 HG2 PRO 2 HG2 PRO 2 6.481 20.978 -1.133 10 HG3 PRO 2 HG1 PRO 2 4.919 21.759 -1.441 11 HD2 PRO 2 HD2 PRO 2 5.197 19.072 -1.295 12 HD3 PRO 2 HD1 PRO 2 4.002 19.850 -2.350 13 H HIS 3 HN HIS 3 8.113 18.880 -5.298 14 HA HIS 3 HA HIS 3 10.663 19.859 -4.842 15 HB2 HIS 3 HB2 HIS 3 10.290 19.151 -2.469 16 HB3 HIS 3 HB1 HIS 3 10.050 17.503 -3.030 17 HD1 HIS 3 HD1 HIS 3 12.713 20.042 -2.374 18 HD2 HIS 3 HD2 HIS 3 12.386 16.128 -3.739 19 HE1 HIS 3 HE1 HIS 3 15.048 19.108 -2.325 20 HE2 HIS 3 HE2 HIS 3 14.837 16.761 -3.217 21 H MET 4 HN MET 4 8.963 16.759 -4.851 22 HA MET 4 HA MET 4 9.411 16.060 -7.486 23 HB2 MET 4 HB2 MET 4 11.837 15.999 -6.356 24 HB3 MET 4 HB1 MET 4 11.290 14.407 -5.854 25 HG2 MET 4 HG2 MET 4 11.310 15.364 -8.703 26 HG3 MET 4 HG1 MET 4 12.609 14.442 -7.958 27 HE1 MET 4 HE1 MET 4 12.346 12.718 -10.019 28 HE2 MET 4 HE2 MET 4 11.001 13.673 -10.642 29 HE3 MET 4 HE3 MET 4 10.821 11.932 -10.426 30 H SER 5 HN SER 5 8.115 14.342 -7.923 31 HA SER 5 HA SER 5 7.505 12.420 -5.820 32 HB2 SER 5 HB2 SER 5 5.036 12.650 -6.383 33 HB3 SER 5 HB1 SER 5 5.740 13.957 -5.432 34 HG SER 5 HG SER 5 5.880 14.310 -8.164 35 H VAL 6 HN VAL 6 7.472 10.433 -6.623 36 HA VAL 6 HA VAL 6 7.215 10.122 -9.548 37 HB VAL 6 HB VAL 6 8.596 8.040 -9.262 38 HG11 VAL 6 HG11 VAL 6 9.574 10.052 -10.159 39 HG12 VAL 6 HG12 VAL 6 10.734 9.261 -9.090 40 HG13 VAL 6 HG13 VAL 6 9.847 10.681 -8.534 41 HG21 VAL 6 HG21 VAL 6 9.032 9.201 -6.514 42 HG22 VAL 6 HG22 VAL 6 10.024 7.935 -7.232 43 HG23 VAL 6 HG23 VAL 6 8.316 7.639 -6.908 44 H GLN 7 HN GLN 7 5.926 8.526 -10.351 45 HA GLN 7 HA GLN 7 3.979 7.433 -8.503 46 HB2 GLN 7 HB2 GLN 7 2.661 6.875 -10.412 47 HB3 GLN 7 HB1 GLN 7 3.309 8.483 -10.684 48 HG2 GLN 7 HG2 GLN 7 4.437 5.956 -11.869 49 HG3 GLN 7 HG1 GLN 7 3.321 7.041 -12.691 50 HE21 GLN 7 HE21 GLN 7 6.563 6.562 -11.575 51 HE22 GLN 7 HE22 GLN 7 7.273 7.899 -12.423 52 H ILE 8 HN ILE 8 3.700 5.290 -8.032 53 HA ILE 8 HA ILE 8 5.848 3.509 -9.000 54 HB ILE 8 HB ILE 8 4.249 2.869 -6.558 55 HG12 ILE 8 HG12 ILE 8 4.996 5.191 -6.203 56 HG13 ILE 8 HG11 ILE 8 5.823 4.073 -5.128 57 HG21 ILE 8 HG21 ILE 8 7.110 2.350 -7.359 58 HG22 ILE 8 HG22 ILE 8 5.772 1.205 -7.478 59 HG23 ILE 8 HG23 ILE 8 6.325 1.754 -5.896 60 HD11 ILE 8 HD11 ILE 8 7.778 4.136 -6.593 61 HD12 ILE 8 HD12 ILE 8 7.349 5.735 -5.986 62 HD13 ILE 8 HD13 ILE 8 6.945 5.281 -7.643 63 HA PRO 9 HA PRO 9 2.387 1.405 -10.965 64 HB2 PRO 9 HB2 PRO 9 3.872 -0.474 -12.243 65 HB3 PRO 9 HB1 PRO 9 3.699 1.182 -12.832 66 HG2 PRO 9 HG2 PRO 9 5.950 -0.067 -11.316 67 HG3 PRO 9 HG1 PRO 9 6.007 1.084 -12.664 68 HD2 PRO 9 HD2 PRO 9 6.357 1.807 -10.059 69 HD3 PRO 9 HD1 PRO 9 5.689 2.895 -11.290 70 H VAL 10 HN VAL 10 1.126 -0.089 -10.078 71 HA VAL 10 HA VAL 10 2.163 -1.841 -8.021 72 HB VAL 10 HB VAL 10 -0.659 -1.589 -9.081 73 HG11 VAL 10 HG11 VAL 10 -0.280 -3.714 -7.963 74 HG12 VAL 10 HG12 VAL 10 -1.314 -2.675 -6.984 75 HG13 VAL 10 HG13 VAL 10 0.386 -2.876 -6.562 76 HG21 VAL 10 HG21 VAL 10 0.120 0.506 -8.129 77 HG22 VAL 10 HG22 VAL 10 0.618 -0.333 -6.661 78 HG23 VAL 10 HG23 VAL 10 -1.090 -0.242 -7.088 79 H VAL 11 HN VAL 11 2.488 -4.000 -8.175 80 HA VAL 11 HA VAL 11 1.816 -5.305 -10.716 81 HB VAL 11 HB VAL 11 3.600 -6.273 -8.471 82 HG11 VAL 11 HG11 VAL 11 4.288 -8.013 -10.063 83 HG12 VAL 11 HG12 VAL 11 3.078 -7.431 -11.207 84 HG13 VAL 11 HG13 VAL 11 2.573 -8.118 -9.663 85 HG21 VAL 11 HG21 VAL 11 5.447 -5.842 -10.024 86 HG22 VAL 11 HG22 VAL 11 4.563 -4.365 -9.638 87 HG23 VAL 11 HG23 VAL 11 4.306 -5.167 -11.187 88 H GLU 12 HN GLU 12 -0.100 -6.304 -10.720 89 HA GLU 12 HA GLU 12 -1.217 -7.193 -8.177 90 HB2 GLU 12 HB2 GLU 12 -2.527 -6.951 -10.887 91 HB3 GLU 12 HB1 GLU 12 -3.344 -7.396 -9.392 92 HG2 GLU 12 HG2 GLU 12 -2.566 -5.192 -8.462 93 HG3 GLU 12 HG1 GLU 12 -2.083 -4.772 -10.095 94 H VAL 13 HN VAL 13 -0.726 -9.116 -7.590 95 HA VAL 13 HA VAL 13 -0.664 -11.290 -9.575 96 HB VAL 13 HB VAL 13 1.161 -12.302 -8.058 97 HG11 VAL 13 HG11 VAL 13 1.608 -11.589 -10.321 98 HG12 VAL 13 HG12 VAL 13 2.934 -11.083 -9.273 99 HG13 VAL 13 HG13 VAL 13 1.728 -9.910 -9.801 100 HG21 VAL 13 HG21 VAL 13 0.940 -10.708 -6.220 101 HG22 VAL 13 HG22 VAL 13 1.412 -9.391 -7.296 102 HG23 VAL 13 HG23 VAL 13 2.567 -10.666 -6.901 103 H ASP 14 HN ASP 14 -0.305 -13.467 -8.055 104 HA ASP 14 HA ASP 14 -2.765 -13.661 -6.560 105 HB2 ASP 14 HB2 ASP 14 -0.608 -15.638 -7.289 106 HB3 ASP 14 HB1 ASP 14 -1.874 -16.049 -6.139 107 H GLU 15 HN GLU 15 0.640 -13.452 -5.998 108 HA GLU 15 HA GLU 15 0.411 -12.630 -3.333 109 HB2 GLU 15 HB2 GLU 15 1.202 -14.555 -2.141 110 HB3 GLU 15 HB1 GLU 15 -0.222 -15.014 -3.065 111 HG2 GLU 15 HG2 GLU 15 1.240 -15.984 -4.792 112 HG3 GLU 15 HG1 GLU 15 2.635 -15.612 -3.780 113 H LEU 16 HN LEU 16 2.718 -12.899 -2.249 114 HA LEU 16 HA LEU 16 4.492 -11.630 -4.108 115 HB2 LEU 16 HB2 LEU 16 4.847 -12.380 -1.204 116 HB3 LEU 16 HB1 LEU 16 6.011 -11.475 -2.142 117 HG LEU 16 HG LEU 16 4.854 -9.906 -0.827 118 HD11 LEU 16 HD11 LEU 16 5.236 -9.184 -3.107 119 HD12 LEU 16 HD12 LEU 16 3.758 -8.475 -2.456 120 HD13 LEU 16 HD13 LEU 16 3.664 -9.827 -3.584 121 HD21 LEU 16 HD21 LEU 16 2.282 -11.100 -1.821 122 HD22 LEU 16 HD22 LEU 16 2.426 -9.662 -0.810 123 HD23 LEU 16 HD23 LEU 16 2.939 -11.230 -0.192 124 HA PRO 17 HA PRO 17 6.892 -15.234 -5.183 125 HB2 PRO 17 HB2 PRO 17 9.133 -13.918 -6.012 126 HB3 PRO 17 HB1 PRO 17 7.675 -14.069 -6.995 127 HG2 PRO 17 HG2 PRO 17 8.623 -11.772 -5.349 128 HG3 PRO 17 HG1 PRO 17 7.848 -11.766 -6.943 129 HD2 PRO 17 HD2 PRO 17 6.518 -11.193 -4.647 130 HD3 PRO 17 HD1 PRO 17 5.740 -11.939 -6.054 131 H GLU 18 HN GLU 18 9.187 -16.033 -4.731 132 HA GLU 18 HA GLU 18 9.594 -16.191 -1.979 133 HB2 GLU 18 HB2 GLU 18 11.532 -16.732 -4.230 134 HB3 GLU 18 HB1 GLU 18 11.790 -17.205 -2.556 135 HG2 GLU 18 HG2 GLU 18 9.816 -18.623 -2.640 136 HG3 GLU 18 HG1 GLU 18 9.528 -18.133 -4.310 137 H GLY 19 HN GLY 19 10.906 -15.185 -0.550 138 HA2 GLY 19 HA2 GLY 19 12.810 -13.764 -0.055 139 HA3 GLY 19 HA1 GLY 19 12.465 -12.884 -1.538 140 H TYR 20 HN TYR 20 9.524 -13.115 -0.834 141 HA TYR 20 HA TYR 20 9.461 -10.682 0.769 142 HB2 TYR 20 HB2 TYR 20 7.464 -12.061 -0.999 143 HB3 TYR 20 HB1 TYR 20 6.997 -10.744 0.071 144 HD1 TYR 20 HD1 TYR 20 7.942 -8.489 -0.274 145 HD2 TYR 20 HD2 TYR 20 8.615 -11.636 -3.059 146 HE1 TYR 20 HE1 TYR 20 8.592 -6.840 -1.966 147 HE2 TYR 20 HE2 TYR 20 9.274 -9.987 -4.760 148 HH TYR 20 HH TYR 20 9.024 -7.671 -5.284 149 H ASP 21 HN ASP 21 7.607 -10.443 2.301 150 HA ASP 21 HA ASP 21 7.108 -12.945 3.766 151 HB2 ASP 21 HB2 ASP 21 8.779 -11.584 4.957 152 HB3 ASP 21 HB1 ASP 21 7.656 -10.224 4.973 153 H ARG 22 HN ARG 22 5.050 -13.318 3.197 154 HA ARG 22 HA ARG 22 3.133 -11.111 3.277 155 HB2 ARG 22 HB2 ARG 22 3.081 -12.449 1.256 156 HB3 ARG 22 HB1 ARG 22 2.892 -13.923 2.195 157 HG2 ARG 22 HG2 ARG 22 0.701 -13.360 2.836 158 HG3 ARG 22 HG1 ARG 22 0.888 -11.694 2.295 159 HD2 ARG 22 HD2 ARG 22 -0.489 -13.034 0.771 160 HD3 ARG 22 HD1 ARG 22 0.962 -12.409 -0.007 161 HE ARG 22 HE ARG 22 1.789 -14.558 -0.190 162 HH11 ARG 22 HH11 ARG 22 -1.167 -14.569 1.693 163 HH12 ARG 22 HH12 ARG 22 -1.393 -16.281 1.555 164 HH21 ARG 22 HH21 ARG 22 1.489 -16.810 -0.381 165 HH22 ARG 22 HH22 ARG 22 0.123 -17.556 0.394 166 H SER 23 HN SER 23 1.265 -11.188 4.502 167 HA SER 23 HA SER 23 0.007 -11.520 6.329 168 HB2 SER 23 HB2 SER 23 0.860 -14.403 6.008 169 HB3 SER 23 HB1 SER 23 -0.567 -13.807 6.847 170 HG SER 23 HG SER 23 -1.514 -13.320 4.967 171 H2 PRO 24 HT1 PRO 24 -23.548 19.293 2.966 172 H3 PRO 24 HT2 PRO 24 -24.355 19.715 4.321 173 HA PRO 24 HA PRO 24 -24.696 17.707 4.778 174 HB2 PRO 24 HB2 PRO 24 -25.962 16.798 2.298 175 HB3 PRO 24 HB1 PRO 24 -26.616 16.868 3.940 176 HG2 PRO 24 HG2 PRO 24 -27.396 18.590 2.022 177 HG3 PRO 24 HG1 PRO 24 -27.289 19.051 3.730 178 HD2 PRO 24 HD2 PRO 24 -25.365 19.603 1.497 179 HD3 PRO 24 HD1 PRO 24 -25.926 20.684 2.783 180 H HIS 25 HN HIS 25 -24.389 15.317 3.932 181 HA HIS 25 HA HIS 25 -21.985 15.309 2.219 182 HB2 HIS 25 HB2 HIS 25 -22.585 13.628 4.661 183 HB3 HIS 25 HB1 HIS 25 -21.272 13.282 3.543 184 HD1 HIS 25 HD1 HIS 25 -19.094 14.363 4.063 185 HD2 HIS 25 HD2 HIS 25 -22.271 16.258 5.950 186 HE1 HIS 25 HE1 HIS 25 -18.056 16.086 5.564 187 HE2 HIS 25 HE2 HIS 25 -20.007 17.364 6.512 188 H GLU 26 HN GLU 26 -22.219 14.212 0.400 189 HA GLU 26 HA GLU 26 -24.357 12.266 0.109 190 HB2 GLU 26 HB2 GLU 26 -23.874 13.879 -1.711 191 HB3 GLU 26 HB1 GLU 26 -22.267 13.191 -1.879 192 HG2 GLU 26 HG2 GLU 26 -23.637 12.307 -3.611 193 HG3 GLU 26 HG1 GLU 26 -23.325 11.015 -2.452 194 H GLN 27 HN GLN 27 -23.860 10.437 1.178 195 HA GLN 27 HA GLN 27 -21.166 9.373 1.152 196 HB2 GLN 27 HB2 GLN 27 -23.704 8.350 2.429 197 HB3 GLN 27 HB1 GLN 27 -22.122 7.605 2.612 198 HG2 GLN 27 HG2 GLN 27 -21.287 9.652 3.651 199 HG3 GLN 27 HG1 GLN 27 -22.886 10.378 3.494 200 HE21 GLN 27 HE21 GLN 27 -24.576 9.613 4.785 201 HE22 GLN 27 HE22 GLN 27 -24.282 8.685 6.215 202 H GLN 28 HN GLN 28 -20.522 7.475 0.236 203 HA GLN 28 HA GLN 28 -22.403 6.267 -1.678 204 HB2 GLN 28 HB2 GLN 28 -19.418 6.587 -1.778 205 HB3 GLN 28 HB1 GLN 28 -20.239 5.376 -2.751 206 HG2 GLN 28 HG2 GLN 28 -20.751 8.331 -2.829 207 HG3 GLN 28 HG1 GLN 28 -19.816 7.407 -3.997 208 HE21 GLN 28 HE21 GLN 28 -21.518 5.139 -4.112 209 HE22 GLN 28 HE22 GLN 28 -22.985 5.619 -4.891 210 H GLU 29 HN GLU 29 -21.513 4.005 -2.275 211 HA GLU 29 HA GLU 29 -21.238 2.486 0.245 212 HB2 GLU 29 HB2 GLU 29 -22.649 0.758 -0.813 213 HB3 GLU 29 HB1 GLU 29 -23.487 2.293 -0.640 214 HG2 GLU 29 HG2 GLU 29 -22.882 2.783 -3.018 215 HG3 GLU 29 HG1 GLU 29 -22.316 1.119 -3.139 216 H ASP 30 HN ASP 30 -19.843 3.331 -2.563 217 HA ASP 30 HA ASP 30 -18.619 0.794 -3.248 218 HB2 ASP 30 HB2 ASP 30 -17.944 3.515 -4.367 219 HB3 ASP 30 HB1 ASP 30 -17.678 1.944 -5.114 220 H VAL 31 HN VAL 31 -18.141 3.184 -1.030 221 HA VAL 31 HA VAL 31 -15.395 3.742 -1.186 222 HB VAL 31 HB VAL 31 -17.153 3.825 1.270 223 HG11 VAL 31 HG11 VAL 31 -14.795 3.925 1.829 224 HG12 VAL 31 HG12 VAL 31 -15.539 5.507 2.067 225 HG13 VAL 31 HG13 VAL 31 -14.545 5.206 0.643 226 HG21 VAL 31 HG21 VAL 31 -17.495 6.181 0.730 227 HG22 VAL 31 HG22 VAL 31 -18.096 5.142 -0.561 228 HG23 VAL 31 HG23 VAL 31 -16.558 5.984 -0.751 229 HA PRO 32 HA PRO 32 -13.993 -0.209 0.409 230 HB2 PRO 32 HB2 PRO 32 -11.395 0.163 -0.198 231 HB3 PRO 32 HB1 PRO 32 -12.594 -0.256 -1.427 232 HG2 PRO 32 HG2 PRO 32 -11.413 2.412 -0.763 233 HG3 PRO 32 HG1 PRO 32 -11.753 1.702 -2.352 234 HD2 PRO 32 HD2 PRO 32 -13.382 3.529 -1.125 235 HD3 PRO 32 HD1 PRO 32 -13.956 2.321 -2.290 236 H GLU 33 HN GLU 33 -13.581 -0.594 2.493 237 HA GLU 33 HA GLU 33 -12.297 1.423 4.135 238 HB2 GLU 33 HB2 GLU 33 -14.342 0.349 4.996 239 HB3 GLU 33 HB1 GLU 33 -13.558 -1.220 4.898 240 HG2 GLU 33 HG2 GLU 33 -11.938 -0.547 6.566 241 HG3 GLU 33 HG1 GLU 33 -12.653 1.061 6.640 242 H TYR 34 HN TYR 34 -10.184 1.358 3.726 243 HA TYR 34 HA TYR 34 -8.749 -1.154 3.653 244 HB2 TYR 34 HB2 TYR 34 -7.764 1.697 3.487 245 HB3 TYR 34 HB1 TYR 34 -6.746 0.271 3.311 246 HD1 TYR 34 HD2 TYR 34 -7.638 -1.449 1.474 247 HD2 TYR 34 HD1 TYR 34 -8.518 2.711 1.573 248 HE1 TYR 34 HE2 TYR 34 -8.155 -1.507 -0.930 249 HE2 TYR 34 HE1 TYR 34 -9.036 2.671 -0.824 250 HH TYR 34 HH TYR 34 -8.643 1.376 -2.780 251 H GLU 35 HN GLU 35 -7.087 -1.689 5.070 252 HA GLU 35 HA GLU 35 -6.991 -0.201 7.591 253 HB2 GLU 35 HB2 GLU 35 -8.403 -2.357 7.644 254 HB3 GLU 35 HB1 GLU 35 -6.868 -3.206 7.477 255 HG2 GLU 35 HG2 GLU 35 -6.081 -2.352 9.547 256 HG3 GLU 35 HG1 GLU 35 -7.430 -1.224 9.669 257 H VAL 36 HN VAL 36 -4.992 0.448 7.910 258 HA VAL 36 HA VAL 36 -2.854 -0.842 6.383 259 HB VAL 36 HB VAL 36 -2.989 1.403 5.732 260 HG11 VAL 36 HG11 VAL 36 -3.166 2.139 8.647 261 HG12 VAL 36 HG12 VAL 36 -4.457 2.240 7.447 262 HG13 VAL 36 HG13 VAL 36 -3.047 3.292 7.318 263 HG21 VAL 36 HG21 VAL 36 -0.700 0.752 6.152 264 HG22 VAL 36 HG22 VAL 36 -0.843 1.230 7.844 265 HG23 VAL 36 HG23 VAL 36 -0.919 2.450 6.573 266 H LYS 37 HN LYS 37 -1.162 -1.758 7.294 267 HA LYS 37 HA LYS 37 -0.712 -1.401 10.181 268 HB2 LYS 37 HB2 LYS 37 -0.405 -3.961 8.588 269 HB3 LYS 37 HB1 LYS 37 0.055 -3.758 10.268 270 HG2 LYS 37 HG2 LYS 37 -1.981 -4.847 10.397 271 HG3 LYS 37 HG1 LYS 37 -2.415 -3.158 10.656 272 HD2 LYS 37 HD2 LYS 37 -3.137 -2.953 8.356 273 HD3 LYS 37 HD1 LYS 37 -2.601 -4.598 8.012 274 HE2 LYS 37 HE2 LYS 37 -4.711 -3.900 10.046 275 HE3 LYS 37 HE1 LYS 37 -5.064 -4.353 8.380 276 HZ1 LYS 37 HZ1 LYS 37 -5.227 -6.211 9.971 277 HZ2 LYS 37 HZ2 LYS 37 -3.574 -6.068 10.291 278 HZ3 LYS 37 HZ3 LYS 37 -4.105 -6.492 8.742 279 H MET 38 HN MET 38 1.522 -1.553 10.803 280 HA MET 38 HA MET 38 3.391 -1.212 8.551 281 HB2 MET 38 HB2 MET 38 2.520 0.850 10.110 282 HB3 MET 38 HB1 MET 38 3.977 0.353 10.964 283 HG2 MET 38 HG2 MET 38 5.348 0.891 9.229 284 HG3 MET 38 HG1 MET 38 4.085 0.716 8.022 285 HE1 MET 38 HE1 MET 38 4.583 4.329 7.240 286 HE2 MET 38 HE2 MET 38 4.140 2.715 6.671 287 HE3 MET 38 HE3 MET 38 5.736 2.998 7.367 288 H LYS 39 HN LYS 39 5.399 -2.157 8.811 289 HA LYS 39 HA LYS 39 6.001 -3.416 11.389 290 HB2 LYS 39 HB2 LYS 39 4.577 -4.913 9.786 291 HB3 LYS 39 HB1 LYS 39 6.083 -5.106 8.906 292 HG2 LYS 39 HG2 LYS 39 5.893 -5.693 11.838 293 HG3 LYS 39 HG1 LYS 39 5.449 -6.888 10.623 294 HD2 LYS 39 HD2 LYS 39 7.678 -6.804 9.681 295 HD3 LYS 39 HD1 LYS 39 8.130 -5.519 10.802 296 HE2 LYS 39 HE2 LYS 39 8.980 -7.692 11.534 297 HE3 LYS 39 HE1 LYS 39 7.824 -7.026 12.685 298 HZ1 LYS 39 HZ1 LYS 39 7.517 -9.416 12.234 299 HZ2 LYS 39 HZ2 LYS 39 7.146 -9.055 10.628 300 HZ3 LYS 39 HZ3 LYS 39 6.147 -8.498 11.871 301 H ARG 40 HN ARG 40 8.143 -3.479 11.812 302 HA ARG 40 HA ARG 40 9.912 -2.325 9.785 303 HB2 ARG 40 HB2 ARG 40 10.061 -2.577 12.773 304 HB3 ARG 40 HB1 ARG 40 11.506 -2.244 11.837 305 HG2 ARG 40 HG2 ARG 40 10.597 -0.193 12.703 306 HG3 ARG 40 HG1 ARG 40 10.447 -0.213 10.947 307 HD2 ARG 40 HD2 ARG 40 8.432 0.672 11.982 308 HD3 ARG 40 HD1 ARG 40 8.098 -0.850 11.156 309 HE ARG 40 HE ARG 40 8.624 -1.548 13.756 310 HH11 ARG 40 HH11 ARG 40 6.358 0.621 12.205 311 HH12 ARG 40 HH12 ARG 40 5.103 0.347 13.369 312 HH21 ARG 40 HH21 ARG 40 6.978 -1.903 15.295 313 HH22 ARG 40 HH22 ARG 40 5.450 -1.098 15.121 314 H PHE 41 HN PHE 41 11.726 -3.309 9.022 315 HA PHE 41 HA PHE 41 12.273 -6.041 9.991 316 HB2 PHE 41 HB2 PHE 41 12.306 -4.961 7.181 317 HB3 PHE 41 HB1 PHE 41 13.225 -6.393 7.623 318 HD1 PHE 41 HD1 PHE 41 9.784 -4.995 7.640 319 HD2 PHE 41 HD2 PHE 41 12.231 -8.472 7.646 320 HE1 PHE 41 HE1 PHE 41 7.790 -6.394 7.312 321 HE2 PHE 41 HE2 PHE 41 10.240 -9.881 7.319 322 HZ PHE 41 HZ PHE 41 8.015 -8.840 7.148 323 H LYS 42 HN LYS 42 14.403 -6.681 10.162 324 HA LYS 42 HA LYS 42 16.408 -4.530 9.932 325 HB2 LYS 42 HB2 LYS 42 16.359 -6.805 11.926 326 HB3 LYS 42 HB1 LYS 42 17.585 -5.550 11.822 327 HG2 LYS 42 HG2 LYS 42 15.977 -3.870 12.461 328 HG3 LYS 42 HG1 LYS 42 14.683 -5.071 12.456 329 HD2 LYS 42 HD2 LYS 42 15.875 -6.311 14.228 330 HD3 LYS 42 HD1 LYS 42 17.093 -5.036 14.267 331 HE2 LYS 42 HE2 LYS 42 14.156 -4.622 14.792 332 HE3 LYS 42 HE1 LYS 42 15.373 -4.831 16.047 333 HZ1 LYS 42 HZ1 LYS 42 15.240 -2.625 14.067 334 HZ2 LYS 42 HZ2 LYS 42 16.497 -2.846 15.176 335 HZ3 LYS 42 HZ3 LYS 42 14.936 -2.516 15.728 336 H GLY 43 HN GLY 43 17.837 -4.936 8.384 337 HA2 GLY 43 HA2 GLY 43 19.311 -6.055 7.025 338 HA3 GLY 43 HA1 GLY 43 19.282 -7.356 8.203 339 H ALA 44 HN ALA 44 16.817 -5.986 6.041 340 HA ALA 44 HA ALA 44 16.596 -8.606 4.733 341 HB1 ALA 44 HB1 ALA 44 14.785 -8.425 6.372 342 HB2 ALA 44 HB2 ALA 44 14.160 -8.408 4.723 343 HB3 ALA 44 HB3 ALA 44 14.271 -6.906 5.637 344 H ALA 45 HN ALA 45 15.215 -8.364 2.669 345 HA ALA 45 HA ALA 45 16.414 -6.457 0.974 346 HB1 ALA 45 HB1 ALA 45 15.537 -8.606 0.188 347 HB2 ALA 45 HB2 ALA 45 14.863 -7.253 -0.723 348 HB3 ALA 45 HB3 ALA 45 13.896 -8.052 0.518 349 H TYR 46 HN TYR 46 13.792 -6.255 3.106 350 HA TYR 46 HA TYR 46 13.180 -3.563 2.162 351 HB2 TYR 46 HB2 TYR 46 10.786 -4.255 3.178 352 HB3 TYR 46 HB1 TYR 46 11.188 -4.463 1.475 353 HD1 TYR 46 HD2 TYR 46 11.141 -6.261 4.734 354 HD2 TYR 46 HD1 TYR 46 11.116 -6.578 0.492 355 HE1 TYR 46 HE2 TYR 46 10.740 -8.679 4.922 356 HE2 TYR 46 HE1 TYR 46 10.720 -8.997 0.669 357 HH TYR 46 HH TYR 46 10.997 -10.788 2.209 358 H LYS 47 HN LYS 47 12.775 -2.095 3.809 359 HA LYS 47 HA LYS 47 13.718 -2.985 6.444 360 HB2 LYS 47 HB2 LYS 47 13.541 -0.233 5.200 361 HB3 LYS 47 HB1 LYS 47 13.978 -0.508 6.877 362 HG2 LYS 47 HG2 LYS 47 15.972 -0.146 5.613 363 HG3 LYS 47 HG1 LYS 47 15.924 -1.836 6.111 364 HD2 LYS 47 HD2 LYS 47 16.664 -1.732 3.832 365 HD3 LYS 47 HD1 LYS 47 15.037 -2.409 3.856 366 HE2 LYS 47 HE2 LYS 47 14.206 -0.063 3.382 367 HE3 LYS 47 HE1 LYS 47 15.885 0.367 3.063 368 HZ1 LYS 47 HZ1 LYS 47 14.844 -0.180 1.009 369 HZ2 LYS 47 HZ2 LYS 47 14.234 -1.632 1.622 370 HZ3 LYS 47 HZ3 LYS 47 15.904 -1.450 1.387 371 H LEU 48 HN LEU 48 11.017 -1.816 4.722 372 HA LEU 48 HA LEU 48 9.433 -1.858 7.189 373 HB2 LEU 48 HB2 LEU 48 10.144 0.492 5.986 374 HB3 LEU 48 HB1 LEU 48 8.618 0.151 5.196 375 HG LEU 48 HG LEU 48 8.270 1.609 7.102 376 HD11 LEU 48 HD11 LEU 48 7.225 -1.185 7.342 377 HD12 LEU 48 HD12 LEU 48 6.406 0.260 6.744 378 HD13 LEU 48 HD13 LEU 48 6.748 0.082 8.463 379 HD21 LEU 48 HD21 LEU 48 10.224 0.930 8.414 380 HD22 LEU 48 HD22 LEU 48 9.435 -0.607 8.772 381 HD23 LEU 48 HD23 LEU 48 8.740 0.899 9.367 382 H ARG 49 HN ARG 49 7.573 -2.935 6.990 383 HA ARG 49 HA ARG 49 6.568 -3.511 4.276 384 HB2 ARG 49 HB2 ARG 49 7.442 -5.515 5.501 385 HB3 ARG 49 HB1 ARG 49 6.226 -5.232 6.740 386 HG2 ARG 49 HG2 ARG 49 4.506 -5.413 4.880 387 HG3 ARG 49 HG1 ARG 49 5.817 -6.051 3.884 388 HD2 ARG 49 HD2 ARG 49 4.689 -7.922 4.802 389 HD3 ARG 49 HD1 ARG 49 6.205 -7.763 5.691 390 HE ARG 49 HE ARG 49 4.491 -6.378 7.229 391 HH11 ARG 49 HH11 ARG 49 4.358 -9.595 5.852 392 HH12 ARG 49 HH12 ARG 49 3.295 -10.217 7.086 393 HH21 ARG 49 HH21 ARG 49 3.109 -7.207 8.868 394 HH22 ARG 49 HH22 ARG 49 2.612 -8.867 8.801 395 H ILE 50 HN ILE 50 4.724 -2.491 3.890 396 HA ILE 50 HA ILE 50 2.984 -1.827 6.186 397 HB ILE 50 HB ILE 50 3.018 -0.387 3.521 398 HG12 ILE 50 HG12 ILE 50 4.022 1.521 4.855 399 HG13 ILE 50 HG11 ILE 50 4.357 0.358 6.126 400 HG21 ILE 50 HG21 ILE 50 0.912 -0.299 4.744 401 HG22 ILE 50 HG22 ILE 50 1.690 1.284 4.676 402 HG23 ILE 50 HG23 ILE 50 1.762 0.329 6.157 403 HD11 ILE 50 HD11 ILE 50 6.292 0.896 4.685 404 HD12 ILE 50 HD12 ILE 50 5.438 0.155 3.329 405 HD13 ILE 50 HD13 ILE 50 5.886 -0.820 4.735 406 H LEU 51 HN LEU 51 0.982 -2.576 6.191 407 HA LEU 51 HA LEU 51 0.137 -4.190 3.879 408 HB2 LEU 51 HB2 LEU 51 0.206 -4.704 6.759 409 HB3 LEU 51 HB1 LEU 51 -1.343 -5.071 6.031 410 HG LEU 51 HG LEU 51 0.152 -7.032 6.171 411 HD11 LEU 51 HD11 LEU 51 -1.589 -6.913 4.464 412 HD12 LEU 51 HD12 LEU 51 -0.176 -7.801 3.892 413 HD13 LEU 51 HD13 LEU 51 -0.452 -6.143 3.359 414 HD21 LEU 51 HD21 LEU 51 1.856 -5.484 4.226 415 HD22 LEU 51 HD22 LEU 51 2.073 -7.181 4.658 416 HD23 LEU 51 HD23 LEU 51 2.291 -5.925 5.878 417 H ILE 52 HN ILE 52 -1.400 -3.173 2.777 418 HA ILE 52 HA ILE 52 -3.512 -1.815 4.326 419 HB ILE 52 HB ILE 52 -2.721 -1.163 1.480 420 HG12 ILE 52 HG12 ILE 52 -2.080 1.082 2.752 421 HG13 ILE 52 HG11 ILE 52 -1.816 -0.034 4.091 422 HG21 ILE 52 HG21 ILE 52 -4.163 0.788 1.785 423 HG22 ILE 52 HG22 ILE 52 -4.571 0.229 3.407 424 HG23 ILE 52 HG23 ILE 52 -5.053 -0.720 2.002 425 HD11 ILE 52 HD11 ILE 52 0.233 0.424 2.852 426 HD12 ILE 52 HD12 ILE 52 -0.510 -0.222 1.389 427 HD13 ILE 52 HD13 ILE 52 -0.220 -1.278 2.772 428 H GLU 53 HN GLU 53 -5.126 -3.271 4.422 429 HA GLU 53 HA GLU 53 -5.746 -4.733 1.945 430 HB2 GLU 53 HB2 GLU 53 -6.656 -6.515 3.326 431 HB3 GLU 53 HB1 GLU 53 -4.990 -6.187 3.769 432 HG2 GLU 53 HG2 GLU 53 -5.952 -4.710 5.599 433 HG3 GLU 53 HG1 GLU 53 -7.484 -5.505 5.265 434 H ASN 54 HN ASN 54 -7.902 -5.047 1.395 435 HA ASN 54 HA ASN 54 -9.648 -2.899 2.327 436 HB2 ASN 54 HB2 ASN 54 -9.283 -3.263 -0.144 437 HB3 ASN 54 HB1 ASN 54 -10.119 -4.803 0.043 438 HD21 ASN 54 HD21 ASN 54 -11.013 -1.941 1.825 439 HD22 ASN 54 HD22 ASN 54 -12.525 -1.702 1.028 440 H LYS 55 HN LYS 55 -10.937 -3.381 3.932 441 HA LYS 55 HA LYS 55 -12.416 -5.900 3.819 442 HB2 LYS 55 HB2 LYS 55 -12.181 -5.881 6.387 443 HB3 LYS 55 HB1 LYS 55 -10.826 -6.456 5.428 444 HG2 LYS 55 HG2 LYS 55 -9.646 -4.399 5.723 445 HG3 LYS 55 HG1 LYS 55 -11.051 -3.638 6.473 446 HD2 LYS 55 HD2 LYS 55 -9.635 -6.045 7.604 447 HD3 LYS 55 HD1 LYS 55 -9.283 -4.383 8.081 448 HE2 LYS 55 HE2 LYS 55 -12.023 -5.607 8.238 449 HE3 LYS 55 HE1 LYS 55 -10.878 -5.632 9.577 450 HZ1 LYS 55 HZ1 LYS 55 -11.989 -3.211 8.262 451 HZ2 LYS 55 HZ2 LYS 55 -10.830 -3.205 9.500 452 HZ3 LYS 55 HZ3 LYS 55 -12.390 -3.788 9.802 453 H ALA 56 HN ALA 56 -14.226 -4.772 3.103 454 HA ALA 56 HA ALA 56 -15.553 -3.260 5.258 455 HB1 ALA 56 HB1 ALA 56 -15.800 -2.644 2.318 456 HB2 ALA 56 HB2 ALA 56 -14.822 -1.720 3.456 457 HB3 ALA 56 HB3 ALA 56 -16.576 -1.778 3.642 458 HA PRO 57 HA PRO 57 -19.142 -5.899 4.538 459 HB2 PRO 57 HB2 PRO 57 -21.132 -4.000 4.483 460 HB3 PRO 57 HB1 PRO 57 -20.436 -4.648 5.972 461 HG2 PRO 57 HG2 PRO 57 -19.755 -2.117 4.513 462 HG3 PRO 57 HG1 PRO 57 -20.017 -2.364 6.253 463 HD2 PRO 57 HD2 PRO 57 -17.551 -2.206 5.285 464 HD3 PRO 57 HD1 PRO 57 -17.941 -3.413 6.528 465 H ASN 58 HN ASN 58 -18.911 -2.857 2.797 466 HA ASN 58 HA ASN 58 -19.491 -4.190 0.276 467 HB2 ASN 58 HB2 ASN 58 -20.999 -1.772 1.307 468 HB3 ASN 58 HB1 ASN 58 -21.029 -2.307 -0.371 469 HD21 ASN 58 HD21 ASN 58 -21.974 -3.049 2.891 470 HD22 ASN 58 HD22 ASN 58 -23.144 -4.259 2.493 471 H SER 59 HN SER 59 -17.499 -3.874 -0.483 472 HA SER 59 HA SER 59 -16.667 -1.093 -0.920 473 HB2 SER 59 HB2 SER 59 -14.268 -2.028 -0.667 474 HB3 SER 59 HB1 SER 59 -15.203 -1.751 0.798 475 HG SER 59 HG SER 59 -14.301 -4.111 -0.321 476 H LYS 60 HN LYS 60 -15.882 -0.646 -2.930 477 HA LYS 60 HA LYS 60 -15.519 -2.916 -4.749 478 HB2 LYS 60 HB2 LYS 60 -17.181 -0.445 -5.226 479 HB3 LYS 60 HB1 LYS 60 -16.650 -1.499 -6.527 480 HG2 LYS 60 HG2 LYS 60 -18.122 -2.705 -4.241 481 HG3 LYS 60 HG1 LYS 60 -19.023 -1.750 -5.416 482 HD2 LYS 60 HD2 LYS 60 -19.102 -4.062 -6.069 483 HD3 LYS 60 HD1 LYS 60 -18.098 -3.184 -7.220 484 HE2 LYS 60 HE2 LYS 60 -16.092 -4.011 -6.120 485 HE3 LYS 60 HE1 LYS 60 -17.076 -4.851 -4.923 486 HZ1 LYS 60 HZ1 LYS 60 -16.996 -5.407 -7.838 487 HZ2 LYS 60 HZ2 LYS 60 -18.014 -6.183 -6.735 488 HZ3 LYS 60 HZ3 LYS 60 -16.338 -6.372 -6.617 489 HA PRO 61 HA PRO 61 -11.992 -0.022 -5.388 490 HB2 PRO 61 HB2 PRO 61 -10.028 -1.815 -4.965 491 HB3 PRO 61 HB1 PRO 61 -10.759 -0.883 -3.657 492 HG2 PRO 61 HG2 PRO 61 -11.248 -3.710 -4.475 493 HG3 PRO 61 HG1 PRO 61 -11.151 -3.022 -2.846 494 HD2 PRO 61 HD2 PRO 61 -13.501 -3.608 -4.151 495 HD3 PRO 61 HD1 PRO 61 -13.349 -2.403 -2.858 496 H ASP 62 HN ASP 62 -11.109 0.155 -7.338 497 HA ASP 62 HA ASP 62 -11.522 -2.077 -9.203 498 HB2 ASP 62 HB2 ASP 62 -11.615 -0.395 -10.988 499 HB3 ASP 62 HB1 ASP 62 -12.830 -0.090 -9.757 500 H ARG 63 HN ARG 63 -9.280 0.547 -8.434 501 HA ARG 63 HA ARG 63 -7.020 -1.084 -9.178 502 HB2 ARG 63 HB2 ARG 63 -6.211 0.530 -10.887 503 HB3 ARG 63 HB1 ARG 63 -7.685 -0.301 -11.368 504 HG2 ARG 63 HG2 ARG 63 -8.863 1.790 -10.364 505 HG3 ARG 63 HG1 ARG 63 -7.286 2.548 -10.589 506 HD2 ARG 63 HD2 ARG 63 -7.325 1.930 -12.951 507 HD3 ARG 63 HD1 ARG 63 -8.895 1.158 -12.721 508 HE ARG 63 HE ARG 63 -9.234 3.734 -11.852 509 HH11 ARG 63 HH11 ARG 63 -8.281 2.183 -14.837 510 HH12 ARG 63 HH12 ARG 63 -8.853 3.474 -15.843 511 HH21 ARG 63 HH21 ARG 63 -10.007 5.439 -13.178 512 HH22 ARG 63 HH22 ARG 63 -9.822 5.328 -14.901 513 H PHE 64 HN PHE 64 -4.980 0.431 -9.124 514 HA PHE 64 HA PHE 64 -5.283 2.390 -6.959 515 HB2 PHE 64 HB2 PHE 64 -3.320 0.098 -7.099 516 HB3 PHE 64 HB1 PHE 64 -3.103 1.480 -6.031 517 HD1 PHE 64 HD2 PHE 64 -5.089 -1.523 -6.696 518 HD2 PHE 64 HD1 PHE 64 -4.460 1.777 -4.098 519 HE1 PHE 64 HE2 PHE 64 -6.485 -2.612 -4.986 520 HE2 PHE 64 HE1 PHE 64 -5.855 0.700 -2.379 521 HZ PHE 64 HZ PHE 64 -6.869 -1.499 -2.824 522 H SER 65 HN SER 65 -3.956 4.147 -7.094 523 HA SER 65 HA SER 65 -1.767 4.046 -9.043 524 HB2 SER 65 HB2 SER 65 -2.281 6.432 -9.632 525 HB3 SER 65 HB1 SER 65 -3.528 5.293 -10.139 526 HG SER 65 HG SER 65 -3.623 6.747 -7.706 527 HA PRO 66 HA PRO 66 -0.274 5.585 -4.992 528 HB2 PRO 66 HB2 PRO 66 1.660 3.784 -4.594 529 HB3 PRO 66 HB1 PRO 66 -0.032 3.404 -4.251 530 HG2 PRO 66 HG2 PRO 66 1.642 2.640 -6.599 531 HG3 PRO 66 HG1 PRO 66 0.441 1.682 -5.718 532 HD2 PRO 66 HD2 PRO 66 -0.022 2.993 -8.112 533 HD3 PRO 66 HD1 PRO 66 -1.284 2.496 -6.963 534 H SER 67 HN SER 67 1.606 6.732 -4.547 535 HA SER 67 HA SER 67 3.796 6.735 -6.417 536 HB2 SER 67 HB2 SER 67 2.239 9.301 -6.088 537 HB3 SER 67 HB1 SER 67 3.626 9.012 -7.133 538 HG SER 67 HG SER 67 1.703 7.244 -7.715 539 H TYR 68 HN TYR 68 5.635 7.571 -5.545 540 HA TYR 68 HA TYR 68 5.463 8.288 -2.714 541 HB2 TYR 68 HB2 TYR 68 6.933 6.442 -3.043 542 HB3 TYR 68 HB1 TYR 68 7.726 7.228 -4.403 543 HD1 TYR 68 HD1 TYR 68 7.101 7.727 -0.752 544 HD2 TYR 68 HD2 TYR 68 9.730 8.311 -4.051 545 HE1 TYR 68 HE1 TYR 68 8.790 8.682 0.763 546 HE2 TYR 68 HE2 TYR 68 11.414 9.279 -2.542 547 HH TYR 68 HH TYR 68 11.168 9.081 0.864 548 H ASN 69 HN ASN 69 5.895 10.259 -2.053 549 HA ASN 69 HA ASN 69 7.083 12.129 -3.984 550 HB2 ASN 69 HB2 ASN 69 5.491 13.601 -3.387 551 HB3 ASN 69 HB1 ASN 69 4.756 12.293 -2.491 552 HD21 ASN 69 HD21 ASN 69 4.840 12.211 -0.346 553 HD22 ASN 69 HD22 ASN 69 5.388 13.532 0.623 554 H PHE 70 HN PHE 70 8.972 13.041 -3.545 555 HA PHE 70 HA PHE 70 10.460 12.098 -1.270 556 HB2 PHE 70 HB2 PHE 70 11.206 14.064 -3.440 557 HB3 PHE 70 HB1 PHE 70 12.314 13.424 -2.233 558 HD1 PHE 70 HD2 PHE 70 10.136 12.470 -5.063 559 HD2 PHE 70 HD1 PHE 70 13.386 11.368 -2.555 560 HE1 PHE 70 HE2 PHE 70 10.623 10.566 -6.537 561 HE2 PHE 70 HE1 PHE 70 13.883 9.459 -4.026 562 HZ PHE 70 HZ PHE 70 12.498 9.056 -6.022 563 H ALA 71 HN ALA 71 8.635 14.923 -2.026 564 HA ALA 71 HA ALA 71 10.017 16.816 -0.445 565 HB1 ALA 71 HB1 ALA 71 7.075 16.797 -1.099 566 HB2 ALA 71 HB2 ALA 71 8.337 17.410 -2.162 567 HB3 ALA 71 HB3 ALA 71 8.040 18.188 -0.609 568 H GLU 72 HN GLU 72 7.114 14.891 0.265 569 HA GLU 72 HA GLU 72 7.518 15.458 3.118 570 HB2 GLU 72 HB2 GLU 72 5.103 14.020 2.148 571 HB3 GLU 72 HB1 GLU 72 5.262 15.183 3.451 572 HG2 GLU 72 HG2 GLU 72 5.401 16.998 1.858 573 HG3 GLU 72 HG1 GLU 72 5.331 15.848 0.523 574 H ASN 73 HN ASN 73 8.181 13.168 0.808 575 HA ASN 73 HA ASN 73 9.045 11.104 0.850 576 HB2 ASN 73 HB2 ASN 73 10.209 10.266 2.855 577 HB3 ASN 73 HB1 ASN 73 10.648 11.924 2.485 578 HD21 ASN 73 HD21 ASN 73 8.797 9.871 4.613 579 HD22 ASN 73 HD22 ASN 73 8.648 11.008 5.907 580 H ILE 74 HN ILE 74 6.383 11.323 0.861 581 HA ILE 74 HA ILE 74 5.472 9.068 2.519 582 HB ILE 74 HB ILE 74 3.954 11.494 1.563 583 HG12 ILE 74 HG12 ILE 74 4.442 10.524 4.375 584 HG13 ILE 74 HG11 ILE 74 5.519 11.643 3.556 585 HG21 ILE 74 HG21 ILE 74 2.015 10.570 2.753 586 HG22 ILE 74 HG22 ILE 74 2.919 9.086 3.054 587 HG23 ILE 74 HG23 ILE 74 2.511 9.549 1.402 588 HD11 ILE 74 HD11 ILE 74 3.676 13.224 3.333 589 HD12 ILE 74 HD12 ILE 74 4.019 12.813 5.014 590 HD13 ILE 74 HD13 ILE 74 2.623 12.104 4.199 591 H LEU 75 HN LEU 75 4.517 7.399 1.553 592 HA LEU 75 HA LEU 75 4.258 7.414 -1.369 593 HB2 LEU 75 HB2 LEU 75 5.689 5.687 -0.327 594 HB3 LEU 75 HB1 LEU 75 4.339 5.145 0.639 595 HG LEU 75 HG LEU 75 5.048 3.762 -1.418 596 HD11 LEU 75 HD11 LEU 75 3.057 3.254 -0.169 597 HD12 LEU 75 HD12 LEU 75 2.719 3.126 -1.896 598 HD13 LEU 75 HD13 LEU 75 2.172 4.539 -0.991 599 HD21 LEU 75 HD21 LEU 75 3.451 5.914 -2.789 600 HD22 LEU 75 HD22 LEU 75 3.981 4.396 -3.513 601 HD23 LEU 75 HD23 LEU 75 5.171 5.593 -3.007 602 H TYR 76 HN TYR 76 2.245 8.220 -1.829 603 HA TYR 76 HA TYR 76 0.027 7.452 -0.112 604 HB2 TYR 76 HB2 TYR 76 -1.179 9.216 -0.975 605 HB3 TYR 76 HB1 TYR 76 0.455 9.823 -1.169 606 HD1 TYR 76 HD1 TYR 76 -2.474 8.458 -2.918 607 HD2 TYR 76 HD2 TYR 76 1.378 10.205 -3.361 608 HE1 TYR 76 HE1 TYR 76 -2.937 8.850 -5.300 609 HE2 TYR 76 HE2 TYR 76 0.924 10.603 -5.747 610 HH TYR 76 HH TYR 76 -0.559 9.593 -7.528 611 H ILE 77 HN ILE 77 -1.709 6.234 -0.735 612 HA ILE 77 HA ILE 77 -1.105 4.329 -2.850 613 HB ILE 77 HB ILE 77 -3.215 4.308 -0.691 614 HG12 ILE 77 HG12 ILE 77 -0.930 4.035 0.157 615 HG13 ILE 77 HG11 ILE 77 -1.846 2.542 0.322 616 HG21 ILE 77 HG21 ILE 77 -3.593 1.965 -1.322 617 HG22 ILE 77 HG22 ILE 77 -2.509 2.177 -2.697 618 HG23 ILE 77 HG23 ILE 77 -4.015 3.090 -2.613 619 HD11 ILE 77 HD11 ILE 77 0.403 2.076 -0.409 620 HD12 ILE 77 HD12 ILE 77 0.204 3.153 -1.792 621 HD13 ILE 77 HD13 ILE 77 -0.743 1.670 -1.687 622 H ASN 78 HN ASN 78 -3.806 6.337 -1.783 623 HA ASN 78 HA ASN 78 -4.562 6.953 -4.487 624 HB2 ASN 78 HB2 ASN 78 -6.149 5.023 -2.851 625 HB3 ASN 78 HB1 ASN 78 -7.049 6.246 -3.737 626 HD21 ASN 78 HD21 ASN 78 -7.069 3.393 -4.115 627 HD22 ASN 78 HD22 ASN 78 -6.553 3.100 -5.737 628 H GLY 79 HN GLY 79 -6.989 8.117 -4.062 629 HA2 GLY 79 HA2 GLY 79 -6.303 10.326 -2.341 630 HA3 GLY 79 HA1 GLY 79 -7.752 10.179 -3.324 631 H LYS 80 HN LYS 80 -6.969 7.575 -1.232 632 HA LYS 80 HA LYS 80 -9.173 8.328 0.565 633 HB2 LYS 80 HB2 LYS 80 -7.941 5.604 0.095 634 HB3 LYS 80 HB1 LYS 80 -9.353 5.950 1.086 635 HG2 LYS 80 HG2 LYS 80 -9.165 6.399 -1.876 636 HG3 LYS 80 HG1 LYS 80 -9.926 5.004 -1.104 637 HD2 LYS 80 HD2 LYS 80 -11.496 6.512 0.038 638 HD3 LYS 80 HD1 LYS 80 -10.746 7.890 -0.768 639 HE2 LYS 80 HE2 LYS 80 -11.398 6.971 -2.938 640 HE3 LYS 80 HE1 LYS 80 -12.150 5.595 -2.131 641 HZ1 LYS 80 HZ1 LYS 80 -12.962 8.438 -1.870 642 HZ2 LYS 80 HZ2 LYS 80 -13.655 7.155 -1.019 643 HZ3 LYS 80 HZ3 LYS 80 -13.804 7.231 -2.702 644 H LEU 81 HN LEU 81 -5.973 6.879 0.463 645 HA LEU 81 HA LEU 81 -5.301 8.081 2.994 646 HB2 LEU 81 HB2 LEU 81 -4.409 5.813 3.824 647 HB3 LEU 81 HB1 LEU 81 -6.109 6.181 4.010 648 HG LEU 81 HG LEU 81 -6.611 4.772 2.031 649 HD11 LEU 81 HD11 LEU 81 -4.930 3.319 1.093 650 HD12 LEU 81 HD12 LEU 81 -3.704 3.993 2.169 651 HD13 LEU 81 HD13 LEU 81 -4.423 5.001 0.914 652 HD21 LEU 81 HD21 LEU 81 -6.116 2.622 3.120 653 HD22 LEU 81 HD22 LEU 81 -6.789 3.821 4.226 654 HD23 LEU 81 HD23 LEU 81 -5.060 3.468 4.252 655 H SER 82 HN SER 82 -3.086 8.095 3.463 656 HA SER 82 HA SER 82 -1.344 7.306 1.236 657 HB2 SER 82 HB2 SER 82 0.002 9.383 1.774 658 HB3 SER 82 HB1 SER 82 -1.582 9.681 1.059 659 HG SER 82 HG SER 82 -2.383 10.178 3.102 660 H ILE 83 HN ILE 83 0.737 6.579 1.817 661 HA ILE 83 HA ILE 83 0.918 5.768 4.639 662 HB ILE 83 HB ILE 83 2.302 4.581 2.228 663 HG12 ILE 83 HG12 ILE 83 -0.089 4.164 2.117 664 HG13 ILE 83 HG11 ILE 83 0.744 2.676 2.551 665 HG21 ILE 83 HG21 ILE 83 2.148 3.606 5.077 666 HG22 ILE 83 HG22 ILE 83 3.568 4.292 4.289 667 HG23 ILE 83 HG23 ILE 83 2.908 2.755 3.731 668 HD11 ILE 83 HD11 ILE 83 0.136 3.058 4.903 669 HD12 ILE 83 HD12 ILE 83 -1.268 2.904 3.846 670 HD13 ILE 83 HD13 ILE 83 -0.763 4.496 4.414 671 HA PRO 84 HA PRO 84 4.359 8.696 4.470 672 HB2 PRO 84 HB2 PRO 84 4.400 9.288 7.092 673 HB3 PRO 84 HB1 PRO 84 3.213 9.991 5.990 674 HG2 PRO 84 HG2 PRO 84 2.898 7.757 7.941 675 HG3 PRO 84 HG1 PRO 84 1.755 9.042 7.513 676 HD2 PRO 84 HD2 PRO 84 1.663 6.455 6.538 677 HD3 PRO 84 HD1 PRO 84 0.921 7.860 5.750 678 H LEU 85 HN LEU 85 6.455 8.242 4.623 679 HA LEU 85 HA LEU 85 7.204 5.794 6.047 680 HB2 LEU 85 HB2 LEU 85 8.617 7.367 3.892 681 HB3 LEU 85 HB1 LEU 85 9.335 6.000 4.718 682 HG LEU 85 HG LEU 85 8.570 5.099 2.714 683 HD11 LEU 85 HD11 LEU 85 7.866 3.751 4.610 684 HD12 LEU 85 HD12 LEU 85 6.715 3.627 3.280 685 HD13 LEU 85 HD13 LEU 85 6.338 4.629 4.681 686 HD21 LEU 85 HD21 LEU 85 6.001 6.625 3.077 687 HD22 LEU 85 HD22 LEU 85 6.364 5.516 1.755 688 HD23 LEU 85 HD23 LEU 85 7.292 7.005 1.937 689 HA PRO 86 HA PRO 86 9.533 7.965 9.129 690 HB2 PRO 86 HB2 PRO 86 11.615 6.231 9.463 691 HB3 PRO 86 HB1 PRO 86 10.006 5.958 10.134 692 HG2 PRO 86 HG2 PRO 86 11.235 4.846 7.648 693 HG3 PRO 86 HG1 PRO 86 10.247 4.022 8.870 694 HD2 PRO 86 HD2 PRO 86 9.227 4.830 6.513 695 HD3 PRO 86 HD1 PRO 86 8.269 4.854 8.008 696 H ARG 87 HN ARG 87 11.158 9.433 9.185 697 HA ARG 87 HA ARG 87 12.418 10.052 6.681 698 HB2 ARG 87 HB2 ARG 87 12.427 11.363 9.394 699 HB3 ARG 87 HB1 ARG 87 13.470 11.932 8.101 700 HG2 ARG 87 HG2 ARG 87 11.471 13.274 8.202 701 HG3 ARG 87 HG1 ARG 87 11.491 12.346 6.705 702 HD2 ARG 87 HD2 ARG 87 9.269 12.353 7.711 703 HD3 ARG 87 HD1 ARG 87 9.947 10.727 7.677 704 HE ARG 87 HE ARG 87 10.390 12.145 10.149 705 HH11 ARG 87 HH11 ARG 87 8.226 10.039 8.369 706 HH12 ARG 87 HH12 ARG 87 7.442 9.437 9.796 707 HH21 ARG 87 HH21 ARG 87 9.357 11.339 12.026 708 HH22 ARG 87 HH22 ARG 87 8.084 10.170 11.864 709 H ASP 88 HN ASP 88 13.167 8.035 9.194 710 HA ASP 88 HA ASP 88 16.020 8.425 9.261 711 HB2 ASP 88 HB2 ASP 88 14.914 7.639 11.263 712 HB3 ASP 88 HB1 ASP 88 14.216 6.280 10.395 713 H ILE 89 HN ILE 89 13.853 6.937 7.182 714 HA ILE 89 HA ILE 89 15.899 5.063 6.197 715 HB ILE 89 HB ILE 89 12.896 4.902 5.885 716 HG12 ILE 89 HG12 ILE 89 14.819 3.284 7.576 717 HG13 ILE 89 HG11 ILE 89 13.644 4.448 8.176 718 HG21 ILE 89 HG21 ILE 89 13.314 2.682 4.932 719 HG22 ILE 89 HG22 ILE 89 15.052 2.958 5.045 720 HG23 ILE 89 HG23 ILE 89 14.069 3.950 3.967 721 HD11 ILE 89 HD11 ILE 89 12.865 2.187 8.501 722 HD12 ILE 89 HD12 ILE 89 13.020 1.863 6.774 723 HD13 ILE 89 HD13 ILE 89 11.836 3.036 7.349 724 H VAL 90 HN VAL 90 16.579 5.238 4.153 725 HA VAL 90 HA VAL 90 15.598 7.447 2.536 726 HB VAL 90 HB VAL 90 17.842 5.482 2.006 727 HG11 VAL 90 HG11 VAL 90 17.081 8.009 0.542 728 HG12 VAL 90 HG12 VAL 90 16.926 6.362 -0.072 729 HG13 VAL 90 HG13 VAL 90 18.524 7.043 0.237 730 HG21 VAL 90 HG21 VAL 90 18.298 6.927 3.915 731 HG22 VAL 90 HG22 VAL 90 17.923 8.350 2.942 732 HG23 VAL 90 HG23 VAL 90 19.325 7.356 2.547 733 H VAL 91 HN VAL 91 13.943 7.137 1.207 734 HA VAL 91 HA VAL 91 13.568 4.452 0.079 735 HB VAL 91 HB VAL 91 11.884 4.601 1.714 736 HG11 VAL 91 HG11 VAL 91 10.391 6.512 1.993 737 HG12 VAL 91 HG12 VAL 91 11.256 7.372 0.720 738 HG13 VAL 91 HG13 VAL 91 12.080 6.970 2.226 739 HG21 VAL 91 HG21 VAL 91 10.656 5.469 -0.896 740 HG22 VAL 91 HG22 VAL 91 9.786 4.725 0.446 741 HG23 VAL 91 HG23 VAL 91 11.031 3.815 -0.413 742 H ASN 92 HN ASN 92 13.167 4.292 -2.001 743 HA ASN 92 HA ASN 92 12.450 6.642 -3.586 744 HB2 ASN 92 HB2 ASN 92 14.254 5.400 -5.230 745 HB3 ASN 92 HB1 ASN 92 14.595 6.843 -4.282 746 HD21 ASN 92 HD21 ASN 92 14.736 3.331 -4.213 747 HD22 ASN 92 HD22 ASN 92 16.111 3.222 -3.172 748 H ALA 93 HN ALA 93 11.963 5.942 -5.895 749 HA ALA 93 HA ALA 93 9.927 3.975 -5.729 750 HB1 ALA 93 HB1 ALA 93 9.761 5.942 -7.162 751 HB2 ALA 93 HB2 ALA 93 9.540 4.452 -8.080 752 HB3 ALA 93 HB3 ALA 93 11.070 5.322 -8.166 753 H ALA 94 HN ALA 94 13.226 3.715 -6.312 754 HA ALA 94 HA ALA 94 13.050 1.275 -7.893 755 HB1 ALA 94 HB1 ALA 94 15.452 2.658 -6.707 756 HB2 ALA 94 HB2 ALA 94 14.843 2.881 -8.347 757 HB3 ALA 94 HB3 ALA 94 15.488 1.316 -7.851 758 H ASP 95 HN ASP 95 12.854 2.136 -4.688 759 HA ASP 95 HA ASP 95 13.881 -0.460 -3.739 760 HB2 ASP 95 HB2 ASP 95 14.904 1.700 -2.853 761 HB3 ASP 95 HB1 ASP 95 13.363 1.999 -2.063 762 H ILE 96 HN ILE 96 11.188 1.637 -4.008 763 HA ILE 96 HA ILE 96 9.446 0.375 -2.141 764 HB ILE 96 HB ILE 96 8.978 2.210 -4.487 765 HG12 ILE 96 HG12 ILE 96 8.693 2.788 -1.547 766 HG13 ILE 96 HG11 ILE 96 10.210 3.007 -2.416 767 HG21 ILE 96 HG21 ILE 96 6.980 0.830 -4.090 768 HG22 ILE 96 HG22 ILE 96 6.703 2.526 -3.696 769 HG23 ILE 96 HG23 ILE 96 6.966 1.351 -2.405 770 HD11 ILE 96 HD11 ILE 96 8.947 5.084 -2.196 771 HD12 ILE 96 HD12 ILE 96 7.615 4.358 -3.096 772 HD13 ILE 96 HD13 ILE 96 9.176 4.612 -3.879 773 H LYS 97 HN LYS 97 8.561 -1.558 -2.357 774 HA LYS 97 HA LYS 97 8.050 -2.610 -5.066 775 HB2 LYS 97 HB2 LYS 97 8.212 -4.290 -2.575 776 HB3 LYS 97 HB1 LYS 97 8.398 -4.798 -4.240 777 HG2 LYS 97 HG2 LYS 97 10.354 -3.158 -2.644 778 HG3 LYS 97 HG1 LYS 97 10.522 -4.855 -3.082 779 HD2 LYS 97 HD2 LYS 97 10.340 -2.590 -5.069 780 HD3 LYS 97 HD1 LYS 97 11.852 -3.299 -4.502 781 HE2 LYS 97 HE2 LYS 97 9.654 -4.787 -5.931 782 HE3 LYS 97 HE1 LYS 97 11.142 -4.209 -6.675 783 HZ1 LYS 97 HZ1 LYS 97 11.388 -6.504 -6.146 784 HZ2 LYS 97 HZ2 LYS 97 10.892 -6.266 -4.550 785 HZ3 LYS 97 HZ3 LYS 97 12.368 -5.630 -5.081 786 H ILE 98 HN ILE 98 5.940 -2.086 -5.482 787 HA ILE 98 HA ILE 98 3.964 -2.552 -3.354 788 HB ILE 98 HB ILE 98 3.650 -0.953 -5.899 789 HG12 ILE 98 HG12 ILE 98 4.096 -0.098 -3.033 790 HG13 ILE 98 HG11 ILE 98 5.196 0.137 -4.384 791 HG21 ILE 98 HG21 ILE 98 1.544 -1.897 -5.137 792 HG22 ILE 98 HG22 ILE 98 1.571 -0.154 -4.868 793 HG23 ILE 98 HG23 ILE 98 1.827 -1.258 -3.518 794 HD11 ILE 98 HD11 ILE 98 4.124 2.207 -3.933 795 HD12 ILE 98 HD12 ILE 98 2.530 1.450 -3.952 796 HD13 ILE 98 HD13 ILE 98 3.463 1.575 -5.441 797 H PHE 99 HN PHE 99 2.741 -4.284 -3.461 798 HA PHE 99 HA PHE 99 2.084 -5.458 -6.074 799 HB2 PHE 99 HB2 PHE 99 3.160 -6.878 -3.641 800 HB3 PHE 99 HB1 PHE 99 2.269 -7.725 -4.898 801 HD1 PHE 99 HD2 PHE 99 5.298 -5.667 -4.287 802 HD2 PHE 99 HD1 PHE 99 3.337 -8.460 -6.826 803 HE1 PHE 99 HE2 PHE 99 7.377 -5.959 -5.568 804 HE2 PHE 99 HE1 PHE 99 5.414 -8.760 -8.107 805 HZ PHE 99 HZ PHE 99 7.434 -7.507 -7.480 806 H HIS 100 HN HIS 100 -0.042 -5.597 -6.295 807 HA HIS 100 HA HIS 100 -1.713 -5.675 -3.878 808 HB2 HIS 100 HB2 HIS 100 -2.175 -3.775 -5.359 809 HB3 HIS 100 HB1 HIS 100 -2.444 -4.873 -6.698 810 HD1 HIS 100 HD1 HIS 100 -4.870 -4.861 -7.203 811 HD2 HIS 100 HD2 HIS 100 -4.115 -4.853 -3.099 812 HE1 HIS 100 HE1 HIS 100 -7.124 -4.992 -6.085 813 HE2 HIS 100 HE2 HIS 100 -6.648 -4.814 -3.619 814 H ILE 101 HN ILE 101 -2.445 -7.619 -3.360 815 HA ILE 101 HA ILE 101 -2.881 -9.612 -5.440 816 HB ILE 101 HB ILE 101 -2.979 -9.759 -2.428 817 HG12 ILE 101 HG12 ILE 101 -1.305 -11.606 -2.865 818 HG13 ILE 101 HG11 ILE 101 -1.282 -11.090 -4.546 819 HG21 ILE 101 HG21 ILE 101 -3.637 -12.070 -2.584 820 HG22 ILE 101 HG22 ILE 101 -3.692 -11.967 -4.343 821 HG23 ILE 101 HG23 ILE 101 -4.844 -11.053 -3.372 822 HD11 ILE 101 HD11 ILE 101 0.604 -10.239 -3.263 823 HD12 ILE 101 HD12 ILE 101 -0.516 -9.401 -2.189 824 HD13 ILE 101 HD13 ILE 101 -0.414 -8.937 -3.887 825 H ARG 102 HN ARG 102 -4.792 -9.975 -6.313 826 HA ARG 102 HA ARG 102 -7.050 -8.343 -5.620 827 HB2 ARG 102 HB2 ARG 102 -6.885 -10.644 -7.578 828 HB3 ARG 102 HB1 ARG 102 -8.142 -9.422 -7.513 829 HG2 ARG 102 HG2 ARG 102 -5.251 -8.886 -8.143 830 HG3 ARG 102 HG1 ARG 102 -6.536 -9.067 -9.337 831 HD2 ARG 102 HD2 ARG 102 -6.397 -6.960 -7.187 832 HD3 ARG 102 HD1 ARG 102 -6.049 -6.718 -8.898 833 HE ARG 102 HE ARG 102 -8.703 -7.703 -8.171 834 HH11 ARG 102 HH11 ARG 102 -6.681 -5.036 -9.239 835 HH12 ARG 102 HH12 ARG 102 -8.030 -4.089 -9.800 836 HH21 ARG 102 HH21 ARG 102 -10.457 -6.471 -8.903 837 HH22 ARG 102 HH22 ARG 102 -10.184 -4.918 -9.620 838 H LYS 103 HN LYS 103 -6.189 -11.734 -5.415 839 HA LYS 103 HA LYS 103 -8.667 -12.809 -4.733 840 HB2 LYS 103 HB2 LYS 103 -6.598 -14.008 -5.475 841 HB3 LYS 103 HB1 LYS 103 -5.958 -13.801 -3.854 842 HG2 LYS 103 HG2 LYS 103 -7.813 -15.121 -2.959 843 HG3 LYS 103 HG1 LYS 103 -8.441 -15.335 -4.595 844 HD2 LYS 103 HD2 LYS 103 -5.791 -16.302 -3.530 845 HD3 LYS 103 HD1 LYS 103 -7.181 -17.296 -3.960 846 HE2 LYS 103 HE2 LYS 103 -6.955 -16.684 -6.282 847 HE3 LYS 103 HE1 LYS 103 -5.662 -15.551 -5.895 848 HZ1 LYS 103 HZ1 LYS 103 -4.357 -17.467 -5.092 849 HZ2 LYS 103 HZ2 LYS 103 -4.701 -17.531 -6.745 850 HZ3 LYS 103 HZ3 LYS 103 -5.568 -18.502 -5.662 851 H GLU 104 HN GLU 104 -6.021 -11.750 -2.613 852 HA GLU 104 HA GLU 104 -7.618 -12.228 -0.246 853 HB2 GLU 104 HB2 GLU 104 -4.890 -10.942 -0.432 854 HB3 GLU 104 HB1 GLU 104 -5.650 -11.607 1.006 855 HG2 GLU 104 HG2 GLU 104 -4.765 -13.173 -1.407 856 HG3 GLU 104 HG1 GLU 104 -3.916 -13.077 0.133 857 H ARG 105 HN ARG 105 -7.505 -9.848 -2.481 858 HA ARG 105 HA ARG 105 -7.927 -7.619 -2.607 859 HB2 ARG 105 HB2 ARG 105 -9.442 -8.179 -0.049 860 HB3 ARG 105 HB1 ARG 105 -9.615 -6.733 -1.032 861 HG2 ARG 105 HG2 ARG 105 -10.386 -8.158 -2.906 862 HG3 ARG 105 HG1 ARG 105 -10.322 -9.551 -1.823 863 HD2 ARG 105 HD2 ARG 105 -12.027 -7.084 -1.485 864 HD3 ARG 105 HD1 ARG 105 -12.588 -8.687 -1.957 865 HE ARG 105 HE ARG 105 -11.248 -8.836 0.524 866 HH11 ARG 105 HH11 ARG 105 -14.229 -7.656 -0.885 867 HH12 ARG 105 HH12 ARG 105 -15.143 -7.848 0.578 868 HH21 ARG 105 HH21 ARG 105 -12.444 -9.069 2.457 869 HH22 ARG 105 HH22 ARG 105 -14.126 -8.641 2.485 870 H THR 106 HN THR 106 -5.419 -8.152 -1.533 871 HA THR 106 HA THR 106 -5.204 -6.155 0.619 872 HB THR 106 HB THR 106 -3.652 -8.749 0.454 873 HG1 THR 106 HG1 THR 106 -6.028 -8.619 1.212 874 HG21 THR 106 HG21 THR 106 -3.631 -6.517 2.485 875 HG22 THR 106 HG22 THR 106 -2.298 -7.028 1.454 876 HG23 THR 106 HG23 THR 106 -2.881 -8.092 2.733 877 H LEU 107 HN LEU 107 -3.577 -4.715 0.460 878 HA LEU 107 HA LEU 107 -1.812 -4.966 -1.877 879 HB2 LEU 107 HB2 LEU 107 -3.265 -3.038 -2.003 880 HB3 LEU 107 HB1 LEU 107 -2.794 -2.529 -0.394 881 HG LEU 107 HG LEU 107 -0.578 -1.952 -1.158 882 HD11 LEU 107 HD11 LEU 107 0.040 -2.149 -3.524 883 HD12 LEU 107 HD12 LEU 107 -1.461 -3.016 -3.831 884 HD13 LEU 107 HD13 LEU 107 -0.237 -3.723 -2.780 885 HD21 LEU 107 HD21 LEU 107 -2.685 -0.933 -3.053 886 HD22 LEU 107 HD22 LEU 107 -1.127 -0.172 -2.737 887 HD23 LEU 107 HD23 LEU 107 -2.330 -0.282 -1.452 888 H TYR 108 HN TYR 108 0.225 -5.421 -1.470 889 HA TYR 108 HA TYR 108 1.256 -5.014 1.246 890 HB2 TYR 108 HB2 TYR 108 2.288 -6.758 -1.000 891 HB3 TYR 108 HB1 TYR 108 2.980 -6.657 0.615 892 HD1 TYR 108 HD1 TYR 108 -0.119 -7.595 -1.213 893 HD2 TYR 108 HD2 TYR 108 2.194 -8.035 2.329 894 HE1 TYR 108 HE1 TYR 108 -1.614 -9.382 -0.468 895 HE2 TYR 108 HE2 TYR 108 0.696 -9.829 3.087 896 HH TYR 108 HH TYR 108 -1.655 -10.565 2.686 897 H ILE 109 HN ILE 109 2.757 -3.544 1.639 898 HA ILE 109 HA ILE 109 4.258 -2.397 -0.629 899 HB ILE 109 HB ILE 109 3.698 -1.104 2.039 900 HG12 ILE 109 HG12 ILE 109 1.613 -1.361 0.771 901 HG13 ILE 109 HG11 ILE 109 2.089 0.329 0.877 902 HG21 ILE 109 HG21 ILE 109 4.500 0.943 0.987 903 HG22 ILE 109 HG22 ILE 109 4.830 0.051 -0.500 904 HG23 ILE 109 HG23 ILE 109 5.734 -0.317 0.969 905 HD11 ILE 109 HD11 ILE 109 2.929 0.253 -1.393 906 HD12 ILE 109 HD12 ILE 109 1.241 -0.256 -1.331 907 HD13 ILE 109 HD13 ILE 109 2.519 -1.459 -1.501 908 H TYR 110 HN TYR 110 6.321 -3.045 -0.654 909 HA TYR 110 HA TYR 110 7.657 -3.516 1.934 910 HB2 TYR 110 HB2 TYR 110 8.272 -4.786 -0.741 911 HB3 TYR 110 HB1 TYR 110 9.181 -5.048 0.738 912 HD1 TYR 110 HD1 TYR 110 5.980 -5.685 -0.972 913 HD2 TYR 110 HD2 TYR 110 8.392 -6.554 2.424 914 HE1 TYR 110 HE1 TYR 110 4.511 -7.574 -0.417 915 HE2 TYR 110 HE2 TYR 110 6.926 -8.443 2.989 916 HH TYR 110 HH TYR 110 4.751 -9.282 2.585 917 H ILE 111 HN ILE 111 9.273 -2.190 2.400 918 HA ILE 111 HA ILE 111 10.670 -0.821 0.211 919 HB ILE 111 HB ILE 111 9.643 0.545 2.710 920 HG12 ILE 111 HG12 ILE 111 8.896 0.960 -0.195 921 HG13 ILE 111 HG11 ILE 111 7.910 0.106 0.985 922 HG21 ILE 111 HG21 ILE 111 10.568 2.596 1.708 923 HG22 ILE 111 HG22 ILE 111 11.262 1.629 0.404 924 HG23 ILE 111 HG23 ILE 111 11.820 1.403 2.063 925 HD11 ILE 111 HD11 ILE 111 8.672 3.013 1.085 926 HD12 ILE 111 HD12 ILE 111 7.699 2.161 2.282 927 HD13 ILE 111 HD13 ILE 111 7.098 2.357 0.637 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 11.526 22.120 1.170 2 H2 GLY 1 HT2 GLY 1 10.779 20.855 0.336 3 H3 GLY 1 HT3 GLY 1 10.488 22.455 -0.120 4 HA2 GLY 1 HA1 GLY 1 12.786 22.725 -0.784 5 HA3 GLY 1 HA2 GLY 1 13.092 21.060 -0.313 6 HA PRO 2 HA PRO 2 12.372 20.705 -4.809 7 HB2 PRO 2 HB2 PRO 2 13.396 17.988 -4.230 8 HB3 PRO 2 HB1 PRO 2 13.934 19.157 -5.439 9 HG2 PRO 2 HG2 PRO 2 15.396 18.652 -3.259 10 HG3 PRO 2 HG1 PRO 2 15.289 20.284 -3.942 11 HD2 PRO 2 HD2 PRO 2 13.910 19.136 -1.548 12 HD3 PRO 2 HD1 PRO 2 14.610 20.750 -1.779 13 H HIS 3 HN HIS 3 10.360 20.300 -5.456 14 HA HIS 3 HA HIS 3 8.717 18.408 -3.972 15 HB2 HIS 3 HB2 HIS 3 8.011 20.416 -6.117 16 HB3 HIS 3 HB1 HIS 3 6.847 19.355 -5.332 17 HD1 HIS 3 HD1 HIS 3 8.110 22.672 -5.133 18 HD2 HIS 3 HD2 HIS 3 6.949 19.817 -2.342 19 HE1 HIS 3 HE1 HIS 3 7.653 23.944 -3.012 20 HE2 HIS 3 HE2 HIS 3 6.842 22.213 -1.373 21 H MET 4 HN MET 4 10.262 16.741 -5.005 22 HA MET 4 HA MET 4 9.438 16.023 -7.709 23 HB2 MET 4 HB2 MET 4 11.835 15.914 -7.165 24 HB3 MET 4 HB1 MET 4 11.491 14.742 -5.901 25 HG2 MET 4 HG2 MET 4 10.554 13.238 -7.658 26 HG3 MET 4 HG1 MET 4 11.140 14.381 -8.864 27 HE1 MET 4 HE1 MET 4 13.709 14.918 -9.267 28 HE2 MET 4 HE2 MET 4 15.018 14.200 -8.330 29 HE3 MET 4 HE3 MET 4 13.905 15.333 -7.565 30 H SER 5 HN SER 5 8.007 14.495 -8.125 31 HA SER 5 HA SER 5 7.444 12.480 -6.076 32 HB2 SER 5 HB2 SER 5 5.002 12.660 -6.660 33 HB3 SER 5 HB1 SER 5 5.651 14.058 -5.803 34 HG SER 5 HG SER 5 5.453 13.919 -8.630 35 H VAL 6 HN VAL 6 7.449 10.486 -6.867 36 HA VAL 6 HA VAL 6 7.289 10.154 -9.794 37 HB VAL 6 HB VAL 6 8.753 8.157 -9.514 38 HG11 VAL 6 HG11 VAL 6 9.702 10.231 -10.279 39 HG12 VAL 6 HG12 VAL 6 10.840 9.440 -9.189 40 HG13 VAL 6 HG13 VAL 6 9.878 10.805 -8.623 41 HG21 VAL 6 HG21 VAL 6 10.097 8.011 -7.428 42 HG22 VAL 6 HG22 VAL 6 8.389 7.639 -7.197 43 HG23 VAL 6 HG23 VAL 6 9.026 9.206 -6.700 44 H GLN 7 HN GLN 7 6.134 8.442 -10.594 45 HA GLN 7 HA GLN 7 4.116 7.414 -8.777 46 HB2 GLN 7 HB2 GLN 7 2.876 6.773 -10.713 47 HB3 GLN 7 HB1 GLN 7 3.508 8.383 -11.004 48 HG2 GLN 7 HG2 GLN 7 4.715 5.846 -12.077 49 HG3 GLN 7 HG1 GLN 7 3.619 6.893 -12.971 50 HE21 GLN 7 HE21 GLN 7 6.827 6.470 -11.750 51 HE22 GLN 7 HE22 GLN 7 7.551 7.797 -12.597 52 H ILE 8 HN ILE 8 3.881 5.319 -8.182 53 HA ILE 8 HA ILE 8 5.976 3.468 -9.114 54 HB ILE 8 HB ILE 8 4.346 2.925 -6.666 55 HG12 ILE 8 HG12 ILE 8 5.166 5.224 -6.348 56 HG13 ILE 8 HG11 ILE 8 5.976 4.104 -5.263 57 HG21 ILE 8 HG21 ILE 8 6.368 1.738 -5.980 58 HG22 ILE 8 HG22 ILE 8 7.198 2.300 -7.430 59 HG23 ILE 8 HG23 ILE 8 5.826 1.200 -7.569 60 HD11 ILE 8 HD11 ILE 8 7.104 5.247 -7.806 61 HD12 ILE 8 HD12 ILE 8 7.921 4.094 -6.751 62 HD13 ILE 8 HD13 ILE 8 7.537 5.711 -6.161 63 HA PRO 9 HA PRO 9 2.446 1.435 -11.037 64 HB2 PRO 9 HB2 PRO 9 3.898 -0.415 -12.394 65 HB3 PRO 9 HB1 PRO 9 3.692 1.248 -12.949 66 HG2 PRO 9 HG2 PRO 9 6.009 -0.016 -11.559 67 HG3 PRO 9 HG1 PRO 9 6.002 1.183 -12.862 68 HD2 PRO 9 HD2 PRO 9 6.440 1.792 -10.231 69 HD3 PRO 9 HD1 PRO 9 5.765 2.936 -11.407 70 H VAL 10 HN VAL 10 1.221 -0.072 -10.127 71 HA VAL 10 HA VAL 10 2.314 -1.799 -8.086 72 HB VAL 10 HB VAL 10 -0.518 -1.609 -9.127 73 HG11 VAL 10 HG11 VAL 10 0.593 -2.907 -6.643 74 HG12 VAL 10 HG12 VAL 10 -0.124 -3.726 -8.031 75 HG13 VAL 10 HG13 VAL 10 -1.121 -2.698 -7.002 76 HG21 VAL 10 HG21 VAL 10 0.759 -0.333 -6.719 77 HG22 VAL 10 HG22 VAL 10 -0.957 -0.279 -7.121 78 HG23 VAL 10 HG23 VAL 10 0.223 0.499 -8.177 79 H VAL 11 HN VAL 11 2.796 -3.899 -8.272 80 HA VAL 11 HA VAL 11 2.204 -5.259 -10.789 81 HB VAL 11 HB VAL 11 3.893 -6.155 -8.442 82 HG11 VAL 11 HG11 VAL 11 2.949 -8.028 -9.687 83 HG12 VAL 11 HG12 VAL 11 4.691 -7.913 -9.937 84 HG13 VAL 11 HG13 VAL 11 3.582 -7.357 -11.190 85 HG21 VAL 11 HG21 VAL 11 5.807 -5.697 -9.906 86 HG22 VAL 11 HG22 VAL 11 4.869 -4.239 -9.583 87 HG23 VAL 11 HG23 VAL 11 4.710 -5.063 -11.134 88 H GLU 12 HN GLU 12 0.320 -6.334 -10.886 89 HA GLU 12 HA GLU 12 -0.891 -7.263 -8.411 90 HB2 GLU 12 HB2 GLU 12 -1.968 -7.149 -11.223 91 HB3 GLU 12 HB1 GLU 12 -2.852 -7.825 -9.860 92 HG2 GLU 12 HG2 GLU 12 -2.376 -5.537 -8.752 93 HG3 GLU 12 HG1 GLU 12 -2.090 -5.001 -10.400 94 H VAL 13 HN VAL 13 -0.384 -9.111 -7.686 95 HA VAL 13 HA VAL 13 0.071 -11.349 -9.540 96 HB VAL 13 HB VAL 13 1.732 -12.181 -7.745 97 HG11 VAL 13 HG11 VAL 13 3.578 -10.895 -8.783 98 HG12 VAL 13 HG12 VAL 13 2.379 -9.843 -9.535 99 HG13 VAL 13 HG13 VAL 13 2.441 -11.552 -9.959 100 HG21 VAL 13 HG21 VAL 13 1.196 -10.535 -6.028 101 HG22 VAL 13 HG22 VAL 13 1.702 -9.230 -7.103 102 HG23 VAL 13 HG23 VAL 13 2.887 -10.396 -6.514 103 H ASP 14 HN ASP 14 0.242 -13.455 -8.101 104 HA ASP 14 HA ASP 14 -2.294 -13.647 -6.687 105 HB2 ASP 14 HB2 ASP 14 -1.784 -15.327 -8.395 106 HB3 ASP 14 HB1 ASP 14 -0.291 -15.747 -7.565 107 H GLU 15 HN GLU 15 1.106 -13.669 -6.184 108 HA GLU 15 HA GLU 15 0.909 -13.209 -3.404 109 HB2 GLU 15 HB2 GLU 15 1.946 -15.204 -2.544 110 HB3 GLU 15 HB1 GLU 15 0.512 -15.667 -3.447 111 HG2 GLU 15 HG2 GLU 15 1.909 -16.304 -5.344 112 HG3 GLU 15 HG1 GLU 15 3.349 -15.835 -4.442 113 H LEU 16 HN LEU 16 3.155 -13.032 -2.447 114 HA LEU 16 HA LEU 16 4.808 -11.687 -4.374 115 HB2 LEU 16 HB2 LEU 16 5.399 -12.236 -1.469 116 HB3 LEU 16 HB1 LEU 16 6.207 -11.074 -2.496 117 HG LEU 16 HG LEU 16 4.861 -9.640 -1.395 118 HD11 LEU 16 HD11 LEU 16 4.133 -9.521 -3.727 119 HD12 LEU 16 HD12 LEU 16 2.843 -9.095 -2.601 120 HD13 LEU 16 HD13 LEU 16 2.853 -10.683 -3.371 121 HD21 LEU 16 HD21 LEU 16 2.857 -11.848 -1.086 122 HD22 LEU 16 HD22 LEU 16 2.677 -10.220 -0.435 123 HD23 LEU 16 HD23 LEU 16 3.981 -11.261 0.138 124 HA PRO 17 HA PRO 17 7.483 -15.052 -5.296 125 HB2 PRO 17 HB2 PRO 17 9.662 -13.685 -6.147 126 HB3 PRO 17 HB1 PRO 17 8.182 -13.831 -7.101 127 HG2 PRO 17 HG2 PRO 17 9.140 -11.558 -5.426 128 HG3 PRO 17 HG1 PRO 17 8.323 -11.527 -6.998 129 HD2 PRO 17 HD2 PRO 17 7.058 -11.049 -4.621 130 HD3 PRO 17 HD1 PRO 17 6.244 -11.699 -6.052 131 H GLU 18 HN GLU 18 9.799 -15.761 -4.905 132 HA GLU 18 HA GLU 18 10.336 -16.128 -2.247 133 HB2 GLU 18 HB2 GLU 18 12.611 -16.782 -2.956 134 HB3 GLU 18 HB1 GLU 18 11.363 -17.460 -3.996 135 HG2 GLU 18 HG2 GLU 18 11.780 -15.618 -5.601 136 HG3 GLU 18 HG1 GLU 18 13.119 -15.093 -4.584 137 H GLY 19 HN GLY 19 11.459 -15.119 -0.672 138 HA2 GLY 19 HA2 GLY 19 13.080 -13.599 0.177 139 HA3 GLY 19 HA1 GLY 19 12.979 -12.697 -1.327 140 H TYR 20 HN TYR 20 9.887 -13.316 -0.682 141 HA TYR 20 HA TYR 20 9.566 -10.791 0.782 142 HB2 TYR 20 HB2 TYR 20 7.831 -12.204 -1.213 143 HB3 TYR 20 HB1 TYR 20 7.170 -10.974 -0.140 144 HD1 TYR 20 HD1 TYR 20 7.999 -8.642 -0.290 145 HD2 TYR 20 HD2 TYR 20 9.151 -11.616 -3.098 146 HE1 TYR 20 HE1 TYR 20 8.717 -6.883 -1.841 147 HE2 TYR 20 HE2 TYR 20 9.876 -9.868 -4.661 148 HH TYR 20 HH TYR 20 9.473 -7.511 -5.113 149 H ASP 21 HN ASP 21 8.088 -10.592 2.422 150 HA ASP 21 HA ASP 21 7.330 -13.117 3.725 151 HB2 ASP 21 HB2 ASP 21 8.941 -11.761 4.994 152 HB3 ASP 21 HB1 ASP 21 7.835 -10.392 4.945 153 H ARG 22 HN ARG 22 5.308 -13.473 2.993 154 HA ARG 22 HA ARG 22 3.397 -11.338 2.725 155 HB2 ARG 22 HB2 ARG 22 3.424 -13.185 1.125 156 HB3 ARG 22 HB1 ARG 22 3.096 -14.330 2.415 157 HG2 ARG 22 HG2 ARG 22 0.894 -13.807 2.509 158 HG3 ARG 22 HG1 ARG 22 1.161 -12.124 2.055 159 HD2 ARG 22 HD2 ARG 22 1.480 -12.722 -0.233 160 HD3 ARG 22 HD1 ARG 22 1.443 -14.437 0.147 161 HE ARG 22 HE ARG 22 -0.898 -12.708 0.580 162 HH11 ARG 22 HH11 ARG 22 0.557 -15.552 -0.863 163 HH12 ARG 22 HH12 ARG 22 -0.948 -16.158 -1.479 164 HH21 ARG 22 HH21 ARG 22 -2.875 -13.529 -0.203 165 HH22 ARG 22 HH22 ARG 22 -2.897 -15.021 -1.086 166 H SER 23 HN SER 23 1.545 -11.039 3.951 167 HA SER 23 HA SER 23 1.880 -11.846 6.713 168 HB2 SER 23 HB2 SER 23 1.399 -9.465 6.046 169 HB3 SER 23 HB1 SER 23 -0.207 -9.993 5.546 170 HG SER 23 HG SER 23 -0.802 -10.034 7.558 171 H2 PRO 24 HT1 PRO 24 -27.517 12.495 11.421 172 H3 PRO 24 HT2 PRO 24 -27.838 12.819 12.987 173 HA PRO 24 HA PRO 24 -25.758 12.816 13.292 174 HB2 PRO 24 HB2 PRO 24 -25.141 10.032 12.905 175 HB3 PRO 24 HB1 PRO 24 -25.361 10.911 14.426 176 HG2 PRO 24 HG2 PRO 24 -27.115 9.025 13.505 177 HG3 PRO 24 HG1 PRO 24 -27.573 10.363 14.574 178 HD2 PRO 24 HD2 PRO 24 -27.862 10.143 11.587 179 HD3 PRO 24 HD1 PRO 24 -29.039 10.716 12.783 180 H HIS 25 HN HIS 25 -23.541 11.528 12.414 181 HA HIS 25 HA HIS 25 -23.181 12.591 9.814 182 HB2 HIS 25 HB2 HIS 25 -21.394 12.239 11.607 183 HB3 HIS 25 HB1 HIS 25 -21.381 10.548 11.118 184 HD1 HIS 25 HD1 HIS 25 -19.076 10.481 10.084 185 HD2 HIS 25 HD2 HIS 25 -21.450 13.522 8.543 186 HE1 HIS 25 HE1 HIS 25 -17.777 11.444 8.160 187 HE2 HIS 25 HE2 HIS 25 -19.147 13.408 7.381 188 H GLU 26 HN GLU 26 -23.167 9.213 10.963 189 HA GLU 26 HA GLU 26 -23.804 7.261 10.011 190 HB2 GLU 26 HB2 GLU 26 -25.950 8.410 9.710 191 HB3 GLU 26 HB1 GLU 26 -25.400 9.054 8.172 192 HG2 GLU 26 HG2 GLU 26 -26.871 7.192 7.796 193 HG3 GLU 26 HG1 GLU 26 -25.237 6.771 7.291 194 H GLN 27 HN GLN 27 -22.029 6.354 9.172 195 HA GLN 27 HA GLN 27 -20.777 7.349 6.793 196 HB2 GLN 27 HB2 GLN 27 -20.298 4.902 8.479 197 HB3 GLN 27 HB1 GLN 27 -19.402 5.219 6.999 198 HG2 GLN 27 HG2 GLN 27 -19.467 6.905 9.476 199 HG3 GLN 27 HG1 GLN 27 -18.116 5.965 8.849 200 HE21 GLN 27 HE21 GLN 27 -16.962 6.728 7.089 201 HE22 GLN 27 HE22 GLN 27 -17.093 8.363 6.543 202 H GLN 28 HN GLN 28 -20.355 6.040 4.934 203 HA GLN 28 HA GLN 28 -22.827 4.719 4.075 204 HB2 GLN 28 HB2 GLN 28 -20.620 6.129 2.624 205 HB3 GLN 28 HB1 GLN 28 -21.617 4.964 1.767 206 HG2 GLN 28 HG2 GLN 28 -22.427 7.220 1.424 207 HG3 GLN 28 HG1 GLN 28 -23.610 6.259 2.305 208 HE21 GLN 28 HE21 GLN 28 -24.112 6.791 4.406 209 HE22 GLN 28 HE22 GLN 28 -23.578 8.252 5.165 210 H GLU 29 HN GLU 29 -22.688 2.808 2.732 211 HA GLU 29 HA GLU 29 -20.754 0.989 3.951 212 HB2 GLU 29 HB2 GLU 29 -22.289 -0.788 3.230 213 HB3 GLU 29 HB1 GLU 29 -23.098 0.432 4.201 214 HG2 GLU 29 HG2 GLU 29 -23.895 1.470 2.067 215 HG3 GLU 29 HG1 GLU 29 -23.263 0.055 1.227 216 H ASP 30 HN ASP 30 -21.332 2.529 1.000 217 HA ASP 30 HA ASP 30 -19.995 0.555 -0.642 218 HB2 ASP 30 HB2 ASP 30 -20.308 2.086 -2.466 219 HB3 ASP 30 HB1 ASP 30 -21.792 2.085 -1.520 220 H VAL 31 HN VAL 31 -19.126 3.021 1.459 221 HA VAL 31 HA VAL 31 -16.690 3.884 0.329 222 HB VAL 31 HB VAL 31 -17.523 3.803 3.236 223 HG11 VAL 31 HG11 VAL 31 -15.846 5.563 3.558 224 HG12 VAL 31 HG12 VAL 31 -15.355 5.398 1.872 225 HG13 VAL 31 HG13 VAL 31 -15.114 4.060 2.995 226 HG21 VAL 31 HG21 VAL 31 -17.755 6.017 1.203 227 HG22 VAL 31 HG22 VAL 31 -18.151 6.145 2.916 228 HG23 VAL 31 HG23 VAL 31 -19.085 5.073 1.872 229 HA PRO 32 HA PRO 32 -14.461 0.087 1.143 230 HB2 PRO 32 HB2 PRO 32 -12.084 0.976 0.142 231 HB3 PRO 32 HB1 PRO 32 -13.392 0.344 -0.863 232 HG2 PRO 32 HG2 PRO 32 -12.600 3.164 -0.331 233 HG3 PRO 32 HG1 PRO 32 -13.201 2.427 -1.825 234 HD2 PRO 32 HD2 PRO 32 -14.745 3.943 -0.146 235 HD3 PRO 32 HD1 PRO 32 -15.399 2.677 -1.203 236 H GLU 33 HN GLU 33 -13.565 -0.469 2.984 237 HA GLU 33 HA GLU 33 -12.245 1.592 4.586 238 HB2 GLU 33 HB2 GLU 33 -14.193 0.584 5.654 239 HB3 GLU 33 HB1 GLU 33 -13.523 -1.025 5.420 240 HG2 GLU 33 HG2 GLU 33 -11.611 -0.359 6.850 241 HG3 GLU 33 HG1 GLU 33 -12.444 1.158 7.183 242 H TYR 34 HN TYR 34 -10.183 1.512 3.941 243 HA TYR 34 HA TYR 34 -8.816 -1.025 3.659 244 HB2 TYR 34 HB2 TYR 34 -7.880 1.825 3.355 245 HB3 TYR 34 HB1 TYR 34 -6.831 0.428 3.153 246 HD1 TYR 34 HD2 TYR 34 -7.521 -1.294 1.367 247 HD2 TYR 34 HD1 TYR 34 -9.079 2.657 1.552 248 HE1 TYR 34 HE2 TYR 34 -8.172 -1.447 -0.997 249 HE2 TYR 34 HE1 TYR 34 -9.732 2.515 -0.808 250 HH TYR 34 HH TYR 34 -9.772 -0.419 -2.526 251 H GLU 35 HN GLU 35 -7.398 -1.865 5.040 252 HA GLU 35 HA GLU 35 -7.003 -0.474 7.595 253 HB2 GLU 35 HB2 GLU 35 -8.229 -2.631 7.716 254 HB3 GLU 35 HB1 GLU 35 -6.843 -3.435 6.997 255 HG2 GLU 35 HG2 GLU 35 -5.488 -2.644 8.946 256 HG3 GLU 35 HG1 GLU 35 -6.990 -2.088 9.675 257 H VAL 36 HN VAL 36 -5.087 0.418 7.700 258 HA VAL 36 HA VAL 36 -2.859 -0.630 6.143 259 HB VAL 36 HB VAL 36 -3.089 1.909 7.767 260 HG11 VAL 36 HG11 VAL 36 -0.919 1.009 5.875 261 HG12 VAL 36 HG12 VAL 36 -0.782 1.130 7.630 262 HG13 VAL 36 HG13 VAL 36 -1.016 2.586 6.661 263 HG21 VAL 36 HG21 VAL 36 -3.210 1.447 4.790 264 HG22 VAL 36 HG22 VAL 36 -3.186 3.025 5.578 265 HG23 VAL 36 HG23 VAL 36 -4.549 1.933 5.829 266 H LYS 37 HN LYS 37 -1.370 -1.891 7.014 267 HA LYS 37 HA LYS 37 -0.930 -1.759 9.930 268 HB2 LYS 37 HB2 LYS 37 -0.565 -4.167 8.122 269 HB3 LYS 37 HB1 LYS 37 -0.244 -4.123 9.847 270 HG2 LYS 37 HG2 LYS 37 -2.309 -5.175 9.687 271 HG3 LYS 37 HG1 LYS 37 -2.722 -3.508 10.097 272 HD2 LYS 37 HD2 LYS 37 -4.151 -3.740 8.366 273 HD3 LYS 37 HD1 LYS 37 -2.731 -3.336 7.418 274 HE2 LYS 37 HE2 LYS 37 -3.742 -5.224 6.400 275 HE3 LYS 37 HE1 LYS 37 -2.284 -5.787 7.217 276 HZ1 LYS 37 HZ1 LYS 37 -3.534 -6.753 8.920 277 HZ2 LYS 37 HZ2 LYS 37 -4.373 -7.158 7.504 278 HZ3 LYS 37 HZ3 LYS 37 -4.949 -5.914 8.502 279 H MET 38 HN MET 38 1.124 -1.362 10.571 280 HA MET 38 HA MET 38 3.138 -1.169 8.427 281 HB2 MET 38 HB2 MET 38 2.093 0.940 9.771 282 HB3 MET 38 HB1 MET 38 3.468 0.542 10.797 283 HG2 MET 38 HG2 MET 38 4.998 1.003 9.172 284 HG3 MET 38 HG1 MET 38 3.856 0.749 7.864 285 HE1 MET 38 HE1 MET 38 4.341 4.315 6.938 286 HE2 MET 38 HE2 MET 38 3.960 2.669 6.423 287 HE3 MET 38 HE3 MET 38 5.499 3.013 7.216 288 H LYS 39 HN LYS 39 5.143 -2.016 8.831 289 HA LYS 39 HA LYS 39 5.644 -3.132 11.494 290 HB2 LYS 39 HB2 LYS 39 4.414 -4.715 9.735 291 HB3 LYS 39 HB1 LYS 39 6.059 -4.955 9.175 292 HG2 LYS 39 HG2 LYS 39 5.181 -5.389 12.019 293 HG3 LYS 39 HG1 LYS 39 5.238 -6.659 10.797 294 HD2 LYS 39 HD2 LYS 39 7.629 -6.323 10.533 295 HD3 LYS 39 HD1 LYS 39 7.587 -4.992 11.691 296 HE2 LYS 39 HE2 LYS 39 6.912 -7.872 12.274 297 HE3 LYS 39 HE1 LYS 39 8.403 -7.050 12.723 298 HZ1 LYS 39 HZ1 LYS 39 7.116 -5.552 14.112 299 HZ2 LYS 39 HZ2 LYS 39 6.857 -7.155 14.571 300 HZ3 LYS 39 HZ3 LYS 39 5.682 -6.334 13.675 301 H ARG 40 HN ARG 40 7.719 -3.040 12.055 302 HA ARG 40 HA ARG 40 9.624 -1.971 10.131 303 HB2 ARG 40 HB2 ARG 40 9.521 -2.199 13.112 304 HB3 ARG 40 HB1 ARG 40 11.074 -1.978 12.324 305 HG2 ARG 40 HG2 ARG 40 10.126 0.133 13.097 306 HG3 ARG 40 HG1 ARG 40 10.319 0.102 11.345 307 HD2 ARG 40 HD2 ARG 40 8.201 1.122 11.963 308 HD3 ARG 40 HD1 ARG 40 7.936 -0.384 11.091 309 HE ARG 40 HE ARG 40 7.885 -1.031 13.779 310 HH11 ARG 40 HH11 ARG 40 6.098 1.082 11.639 311 HH12 ARG 40 HH12 ARG 40 4.603 0.901 12.501 312 HH21 ARG 40 HH21 ARG 40 5.912 -1.254 14.928 313 HH22 ARG 40 HH22 ARG 40 4.498 -0.423 14.364 314 H PHE 41 HN PHE 41 11.255 -3.092 9.258 315 HA PHE 41 HA PHE 41 11.804 -5.784 10.329 316 HB2 PHE 41 HB2 PHE 41 11.742 -4.785 7.498 317 HB3 PHE 41 HB1 PHE 41 12.718 -6.180 7.930 318 HD1 PHE 41 HD1 PHE 41 9.242 -4.915 8.406 319 HD2 PHE 41 HD2 PHE 41 11.790 -8.247 7.714 320 HE1 PHE 41 HE1 PHE 41 7.276 -6.373 8.205 321 HE2 PHE 41 HE2 PHE 41 9.827 -9.715 7.510 322 HZ PHE 41 HZ PHE 41 7.564 -8.777 7.757 323 H LYS 42 HN LYS 42 13.920 -6.491 10.417 324 HA LYS 42 HA LYS 42 16.010 -4.495 9.903 325 HB2 LYS 42 HB2 LYS 42 15.750 -6.214 12.380 326 HB3 LYS 42 HB1 LYS 42 17.160 -5.248 11.983 327 HG2 LYS 42 HG2 LYS 42 14.393 -4.183 12.522 328 HG3 LYS 42 HG1 LYS 42 15.749 -4.160 13.648 329 HD2 LYS 42 HD2 LYS 42 15.659 -2.760 10.975 330 HD3 LYS 42 HD1 LYS 42 15.436 -1.989 12.546 331 HE2 LYS 42 HE2 LYS 42 17.705 -2.648 13.186 332 HE3 LYS 42 HE1 LYS 42 17.925 -3.418 11.616 333 HZ1 LYS 42 HZ1 LYS 42 18.924 -1.241 11.628 334 HZ2 LYS 42 HZ2 LYS 42 17.464 -0.526 12.094 335 HZ3 LYS 42 HZ3 LYS 42 17.601 -1.246 10.571 336 H GLY 43 HN GLY 43 17.489 -5.305 8.583 337 HA2 GLY 43 HA2 GLY 43 19.046 -6.815 7.761 338 HA3 GLY 43 HA1 GLY 43 18.451 -8.011 8.902 339 H ALA 44 HN ALA 44 16.194 -6.367 6.869 340 HA ALA 44 HA ALA 44 15.914 -8.823 5.259 341 HB1 ALA 44 HB1 ALA 44 13.563 -8.263 5.010 342 HB2 ALA 44 HB2 ALA 44 13.800 -6.779 5.932 343 HB3 ALA 44 HB3 ALA 44 13.992 -8.345 6.718 344 H ALA 45 HN ALA 45 14.865 -8.352 3.069 345 HA ALA 45 HA ALA 45 16.466 -6.489 1.630 346 HB1 ALA 45 HB1 ALA 45 15.655 -8.575 0.632 347 HB2 ALA 45 HB2 ALA 45 15.161 -7.173 -0.315 348 HB3 ALA 45 HB3 ALA 45 13.999 -7.979 0.738 349 H TYR 46 HN TYR 46 13.700 -6.174 3.451 350 HA TYR 46 HA TYR 46 13.249 -3.465 2.453 351 HB2 TYR 46 HB2 TYR 46 10.737 -4.084 3.205 352 HB3 TYR 46 HB1 TYR 46 11.308 -4.289 1.550 353 HD1 TYR 46 HD1 TYR 46 10.813 -6.103 4.758 354 HD2 TYR 46 HD2 TYR 46 11.328 -6.396 0.545 355 HE1 TYR 46 HE1 TYR 46 10.331 -8.510 4.870 356 HE2 TYR 46 HE2 TYR 46 10.845 -8.800 0.648 357 HH TYR 46 HH TYR 46 10.936 -10.610 2.242 358 H LYS 47 HN LYS 47 12.748 -1.998 4.071 359 HA LYS 47 HA LYS 47 13.492 -2.966 6.743 360 HB2 LYS 47 HB2 LYS 47 13.423 -0.162 5.608 361 HB3 LYS 47 HB1 LYS 47 13.869 -0.557 7.255 362 HG2 LYS 47 HG2 LYS 47 15.882 -0.209 6.072 363 HG3 LYS 47 HG1 LYS 47 15.740 -1.949 6.317 364 HD2 LYS 47 HD2 LYS 47 16.504 -1.461 4.060 365 HD3 LYS 47 HD1 LYS 47 14.901 -2.196 4.024 366 HE2 LYS 47 HE2 LYS 47 13.944 0.113 3.833 367 HE3 LYS 47 HE1 LYS 47 15.590 0.718 3.660 368 HZ1 LYS 47 HZ1 LYS 47 14.664 0.428 1.496 369 HZ2 LYS 47 HZ2 LYS 47 14.159 -1.149 1.848 370 HZ3 LYS 47 HZ3 LYS 47 15.811 -0.796 1.721 371 H LEU 48 HN LEU 48 10.898 -1.763 4.902 372 HA LEU 48 HA LEU 48 9.225 -1.752 7.313 373 HB2 LEU 48 HB2 LEU 48 9.928 0.551 6.003 374 HB3 LEU 48 HB1 LEU 48 8.413 0.145 5.222 375 HG LEU 48 HG LEU 48 8.043 1.689 7.066 376 HD11 LEU 48 HD11 LEU 48 6.219 0.246 6.679 377 HD12 LEU 48 HD12 LEU 48 6.463 0.278 8.423 378 HD13 LEU 48 HD13 LEU 48 7.020 -1.100 7.483 379 HD21 LEU 48 HD21 LEU 48 9.206 -0.462 8.822 380 HD22 LEU 48 HD22 LEU 48 8.476 1.047 9.367 381 HD23 LEU 48 HD23 LEU 48 9.974 1.078 8.435 382 H ARG 49 HN ARG 49 7.435 -2.906 7.129 383 HA ARG 49 HA ARG 49 6.496 -3.686 4.441 384 HB2 ARG 49 HB2 ARG 49 7.328 -5.564 5.877 385 HB3 ARG 49 HB1 ARG 49 6.091 -5.156 7.056 386 HG2 ARG 49 HG2 ARG 49 4.402 -5.547 5.210 387 HG3 ARG 49 HG1 ARG 49 5.728 -6.261 4.290 388 HD2 ARG 49 HD2 ARG 49 4.586 -8.041 5.393 389 HD3 ARG 49 HD1 ARG 49 6.121 -7.803 6.228 390 HE ARG 49 HE ARG 49 3.958 -6.330 7.408 391 HH11 ARG 49 HH11 ARG 49 5.545 -9.464 7.315 392 HH12 ARG 49 HH12 ARG 49 4.958 -9.934 8.877 393 HH21 ARG 49 HH21 ARG 49 3.202 -6.957 9.457 394 HH22 ARG 49 HH22 ARG 49 3.636 -8.508 10.102 395 H ILE 50 HN ILE 50 4.591 -2.803 3.898 396 HA ILE 50 HA ILE 50 2.765 -2.026 6.089 397 HB ILE 50 HB ILE 50 2.937 -0.569 3.439 398 HG12 ILE 50 HG12 ILE 50 3.867 1.330 4.866 399 HG13 ILE 50 HG11 ILE 50 4.199 0.118 6.091 400 HG21 ILE 50 HG21 ILE 50 1.558 0.109 6.025 401 HG22 ILE 50 HG22 ILE 50 0.780 -0.458 4.546 402 HG23 ILE 50 HG23 ILE 50 1.583 1.114 4.575 403 HD11 ILE 50 HD11 ILE 50 6.149 0.724 4.715 404 HD12 ILE 50 HD12 ILE 50 5.321 0.060 3.304 405 HD13 ILE 50 HD13 ILE 50 5.748 -0.991 4.660 406 H LEU 51 HN LEU 51 0.774 -2.856 5.977 407 HA LEU 51 HA LEU 51 0.040 -4.269 3.499 408 HB2 LEU 51 HB2 LEU 51 -0.130 -5.021 6.356 409 HB3 LEU 51 HB1 LEU 51 -1.521 -5.431 5.376 410 HG LEU 51 HG LEU 51 0.032 -7.305 5.573 411 HD11 LEU 51 HD11 LEU 51 0.201 -7.843 3.214 412 HD12 LEU 51 HD12 LEU 51 -0.060 -6.150 2.796 413 HD13 LEU 51 HD13 LEU 51 -1.344 -7.073 3.573 414 HD21 LEU 51 HD21 LEU 51 1.995 -5.507 4.156 415 HD22 LEU 51 HD22 LEU 51 2.221 -7.225 4.484 416 HD23 LEU 51 HD23 LEU 51 2.118 -6.079 5.820 417 H ILE 52 HN ILE 52 -1.607 -3.384 2.464 418 HA ILE 52 HA ILE 52 -3.643 -1.981 4.072 419 HB ILE 52 HB ILE 52 -2.869 -1.266 1.237 420 HG12 ILE 52 HG12 ILE 52 -2.204 0.939 2.585 421 HG13 ILE 52 HG11 ILE 52 -1.932 -0.232 3.876 422 HG21 ILE 52 HG21 ILE 52 -4.691 0.105 3.209 423 HG22 ILE 52 HG22 ILE 52 -5.197 -0.814 1.790 424 HG23 ILE 52 HG23 ILE 52 -4.290 0.687 1.592 425 HD11 ILE 52 HD11 ILE 52 -0.656 -0.312 1.155 426 HD12 ILE 52 HD12 ILE 52 -0.361 -1.434 2.484 427 HD13 ILE 52 HD13 ILE 52 0.106 0.260 2.639 428 H GLU 53 HN GLU 53 -5.260 -3.411 4.171 429 HA GLU 53 HA GLU 53 -6.072 -4.706 1.656 430 HB2 GLU 53 HB2 GLU 53 -7.035 -6.501 2.976 431 HB3 GLU 53 HB1 GLU 53 -5.341 -6.296 3.385 432 HG2 GLU 53 HG2 GLU 53 -6.069 -4.954 5.352 433 HG3 GLU 53 HG1 GLU 53 -7.723 -5.421 4.986 434 H ASN 54 HN ASN 54 -8.315 -4.971 1.298 435 HA ASN 54 HA ASN 54 -9.828 -2.649 2.270 436 HB2 ASN 54 HB2 ASN 54 -9.412 -3.155 -0.242 437 HB3 ASN 54 HB1 ASN 54 -10.609 -4.422 -0.027 438 HD21 ASN 54 HD21 ASN 54 -12.274 -2.924 1.815 439 HD22 ASN 54 HD22 ASN 54 -13.057 -1.709 0.872 440 H LYS 55 HN LYS 55 -11.096 -3.121 3.953 441 HA LYS 55 HA LYS 55 -12.748 -5.534 3.777 442 HB2 LYS 55 HB2 LYS 55 -12.462 -5.697 6.306 443 HB3 LYS 55 HB1 LYS 55 -11.096 -6.194 5.319 444 HG2 LYS 55 HG2 LYS 55 -9.947 -4.127 5.761 445 HG3 LYS 55 HG1 LYS 55 -11.355 -3.478 6.602 446 HD2 LYS 55 HD2 LYS 55 -9.860 -5.943 7.480 447 HD3 LYS 55 HD1 LYS 55 -9.536 -4.323 8.102 448 HE2 LYS 55 HE2 LYS 55 -12.289 -5.493 8.166 449 HE3 LYS 55 HE1 LYS 55 -11.119 -5.861 9.429 450 HZ1 LYS 55 HZ1 LYS 55 -12.518 -4.018 10.061 451 HZ2 LYS 55 HZ2 LYS 55 -12.088 -3.147 8.677 452 HZ3 LYS 55 HZ3 LYS 55 -10.930 -3.482 9.868 453 H ALA 56 HN ALA 56 -14.518 -4.281 3.142 454 HA ALA 56 HA ALA 56 -15.739 -2.849 5.391 455 HB1 ALA 56 HB1 ALA 56 -15.219 -1.841 2.656 456 HB2 ALA 56 HB2 ALA 56 -15.189 -0.986 4.196 457 HB3 ALA 56 HB3 ALA 56 -16.732 -1.372 3.428 458 HA PRO 57 HA PRO 57 -19.426 -5.167 4.898 459 HB2 PRO 57 HB2 PRO 57 -21.325 -3.231 4.202 460 HB3 PRO 57 HB1 PRO 57 -20.879 -3.705 5.844 461 HG2 PRO 57 HG2 PRO 57 -19.922 -1.394 4.209 462 HG3 PRO 57 HG1 PRO 57 -20.272 -1.475 5.947 463 HD2 PRO 57 HD2 PRO 57 -17.757 -1.496 5.091 464 HD3 PRO 57 HD1 PRO 57 -18.260 -2.559 6.413 465 H ASN 58 HN ASN 58 -19.148 -2.691 2.423 466 HA ASN 58 HA ASN 58 -19.853 -4.702 0.400 467 HB2 ASN 58 HB2 ASN 58 -20.904 -1.873 0.533 468 HB3 ASN 58 HB1 ASN 58 -21.112 -2.948 -0.847 469 HD21 ASN 58 HD21 ASN 58 -21.918 -2.412 2.503 470 HD22 ASN 58 HD22 ASN 58 -23.297 -3.449 2.543 471 H SER 59 HN SER 59 -18.976 -1.312 0.434 472 HA SER 59 HA SER 59 -17.318 -0.093 -0.408 473 HB2 SER 59 HB2 SER 59 -15.033 -1.081 -0.299 474 HB3 SER 59 HB1 SER 59 -15.958 -1.189 1.180 475 HG SER 59 HG SER 59 -16.346 -3.380 -0.334 476 H LYS 60 HN LYS 60 -16.791 0.674 -2.282 477 HA LYS 60 HA LYS 60 -16.504 -1.185 -4.525 478 HB2 LYS 60 HB2 LYS 60 -17.501 0.529 -5.965 479 HB3 LYS 60 HB1 LYS 60 -18.580 0.054 -4.664 480 HG2 LYS 60 HG2 LYS 60 -18.131 2.075 -3.462 481 HG3 LYS 60 HG1 LYS 60 -16.905 2.548 -4.640 482 HD2 LYS 60 HD2 LYS 60 -18.686 2.545 -6.388 483 HD3 LYS 60 HD1 LYS 60 -19.869 2.258 -5.113 484 HE2 LYS 60 HE2 LYS 60 -19.824 4.605 -5.630 485 HE3 LYS 60 HE1 LYS 60 -19.143 4.355 -4.023 486 HZ1 LYS 60 HZ1 LYS 60 -16.930 4.539 -4.973 487 HZ2 LYS 60 HZ2 LYS 60 -17.837 5.924 -5.311 488 HZ3 LYS 60 HZ3 LYS 60 -17.582 4.766 -6.516 489 HA PRO 61 HA PRO 61 -12.402 0.935 -4.081 490 HB2 PRO 61 HB2 PRO 61 -11.114 -1.170 -5.310 491 HB3 PRO 61 HB1 PRO 61 -11.347 -1.023 -3.565 492 HG2 PRO 61 HG2 PRO 61 -12.937 -2.569 -5.568 493 HG3 PRO 61 HG1 PRO 61 -12.408 -3.054 -3.946 494 HD2 PRO 61 HD2 PRO 61 -14.920 -2.257 -4.383 495 HD3 PRO 61 HD1 PRO 61 -14.066 -1.796 -2.898 496 H ASP 62 HN ASP 62 -11.408 2.074 -5.619 497 HA ASP 62 HA ASP 62 -12.673 2.148 -8.237 498 HB2 ASP 62 HB2 ASP 62 -10.611 4.012 -7.036 499 HB3 ASP 62 HB1 ASP 62 -11.519 4.286 -8.516 500 H ARG 63 HN ARG 63 -9.334 2.772 -7.316 501 HA ARG 63 HA ARG 63 -8.267 0.682 -8.969 502 HB2 ARG 63 HB2 ARG 63 -7.049 2.213 -10.474 503 HB3 ARG 63 HB1 ARG 63 -8.792 2.349 -10.677 504 HG2 ARG 63 HG2 ARG 63 -8.667 4.314 -9.077 505 HG3 ARG 63 HG1 ARG 63 -6.921 4.255 -9.315 506 HD2 ARG 63 HD2 ARG 63 -8.942 4.505 -11.528 507 HD3 ARG 63 HD1 ARG 63 -8.089 5.866 -10.803 508 HE ARG 63 HE ARG 63 -6.174 4.021 -11.637 509 HH11 ARG 63 HH11 ARG 63 -8.605 6.094 -13.079 510 HH12 ARG 63 HH12 ARG 63 -7.734 6.289 -14.564 511 HH21 ARG 63 HH21 ARG 63 -5.018 4.303 -13.589 512 HH22 ARG 63 HH22 ARG 63 -5.690 5.286 -14.850 513 H PHE 64 HN PHE 64 -5.766 1.091 -9.087 514 HA PHE 64 HA PHE 64 -4.887 2.315 -6.569 515 HB2 PHE 64 HB2 PHE 64 -4.101 -0.355 -7.720 516 HB3 PHE 64 HB1 PHE 64 -3.098 0.489 -6.544 517 HD1 PHE 64 HD2 PHE 64 -3.906 0.869 -4.274 518 HD2 PHE 64 HD1 PHE 64 -6.134 -1.430 -7.075 519 HE1 PHE 64 HE2 PHE 64 -5.253 -0.061 -2.434 520 HE2 PHE 64 HE1 PHE 64 -7.489 -2.360 -5.243 521 HZ PHE 64 HZ PHE 64 -7.049 -1.676 -2.919 522 H SER 65 HN SER 65 -3.810 4.036 -7.113 523 HA SER 65 HA SER 65 -1.651 3.771 -9.074 524 HB2 SER 65 HB2 SER 65 -3.575 4.923 -10.160 525 HB3 SER 65 HB1 SER 65 -3.529 6.147 -8.896 526 HG SER 65 HG SER 65 -2.139 7.118 -10.113 527 HA PRO 66 HA PRO 66 -0.192 5.608 -5.134 528 HB2 PRO 66 HB2 PRO 66 1.764 3.863 -4.616 529 HB3 PRO 66 HB1 PRO 66 0.073 3.469 -4.280 530 HG2 PRO 66 HG2 PRO 66 1.803 2.611 -6.553 531 HG3 PRO 66 HG1 PRO 66 0.594 1.683 -5.650 532 HD2 PRO 66 HD2 PRO 66 0.177 2.881 -8.118 533 HD3 PRO 66 HD1 PRO 66 -1.103 2.395 -6.989 534 H SER 67 HN SER 67 1.782 6.671 -4.660 535 HA SER 67 HA SER 67 3.911 6.704 -6.585 536 HB2 SER 67 HB2 SER 67 2.280 9.233 -6.258 537 HB3 SER 67 HB1 SER 67 3.718 9.021 -7.255 538 HG SER 67 HG SER 67 1.826 7.182 -7.862 539 H TYR 68 HN TYR 68 5.754 7.671 -5.792 540 HA TYR 68 HA TYR 68 5.633 8.316 -2.929 541 HB2 TYR 68 HB2 TYR 68 7.054 6.421 -3.359 542 HB3 TYR 68 HB1 TYR 68 7.895 7.280 -4.643 543 HD1 TYR 68 HD1 TYR 68 7.209 7.492 -0.975 544 HD2 TYR 68 HD2 TYR 68 9.880 8.361 -4.173 545 HE1 TYR 68 HE1 TYR 68 8.879 8.294 0.643 546 HE2 TYR 68 HE2 TYR 68 11.550 9.166 -2.563 547 HH TYR 68 HH TYR 68 11.703 9.998 -0.327 548 H ASN 69 HN ASN 69 6.101 10.293 -2.269 549 HA ASN 69 HA ASN 69 7.311 12.125 -4.212 550 HB2 ASN 69 HB2 ASN 69 5.471 13.342 -3.757 551 HB3 ASN 69 HB1 ASN 69 5.071 12.296 -2.407 552 HD21 ASN 69 HD21 ASN 69 5.367 12.904 -0.442 553 HD22 ASN 69 HD22 ASN 69 6.029 14.419 0.030 554 H PHE 70 HN PHE 70 9.246 12.889 -3.798 555 HA PHE 70 HA PHE 70 10.687 11.918 -1.514 556 HB2 PHE 70 HB2 PHE 70 11.518 13.818 -3.712 557 HB3 PHE 70 HB1 PHE 70 12.604 13.143 -2.504 558 HD1 PHE 70 HD2 PHE 70 10.431 12.318 -5.360 559 HD2 PHE 70 HD1 PHE 70 13.499 10.977 -2.740 560 HE1 PHE 70 HE2 PHE 70 10.816 10.374 -6.812 561 HE2 PHE 70 HE1 PHE 70 13.892 9.027 -4.189 562 HZ PHE 70 HZ PHE 70 12.548 8.723 -6.230 563 H ALA 71 HN ALA 71 9.027 14.835 -2.308 564 HA ALA 71 HA ALA 71 10.535 16.663 -0.782 565 HB1 ALA 71 HB1 ALA 71 8.886 17.312 -2.489 566 HB2 ALA 71 HB2 ALA 71 8.657 18.156 -0.960 567 HB3 ALA 71 HB3 ALA 71 7.592 16.820 -1.399 568 H GLU 72 HN GLU 72 7.739 14.667 0.084 569 HA GLU 72 HA GLU 72 8.191 15.430 2.894 570 HB2 GLU 72 HB2 GLU 72 5.701 14.066 1.934 571 HB3 GLU 72 HB1 GLU 72 5.940 15.035 3.377 572 HG2 GLU 72 HG2 GLU 72 6.109 17.048 2.009 573 HG3 GLU 72 HG1 GLU 72 5.861 16.074 0.560 574 H ASN 73 HN ASN 73 8.589 13.037 0.629 575 HA ASN 73 HA ASN 73 9.183 10.895 0.602 576 HB2 ASN 73 HB2 ASN 73 10.318 9.846 2.545 577 HB3 ASN 73 HB1 ASN 73 11.014 11.384 2.070 578 HD21 ASN 73 HD21 ASN 73 8.971 9.795 4.432 579 HD22 ASN 73 HD22 ASN 73 9.234 10.938 5.699 580 H ILE 74 HN ILE 74 6.604 11.421 0.741 581 HA ILE 74 HA ILE 74 5.473 9.302 2.445 582 HB ILE 74 HB ILE 74 4.187 11.687 1.116 583 HG12 ILE 74 HG12 ILE 74 4.244 12.649 3.128 584 HG13 ILE 74 HG11 ILE 74 3.347 11.299 3.811 585 HG21 ILE 74 HG21 ILE 74 2.770 9.400 2.463 586 HG22 ILE 74 HG22 ILE 74 2.755 9.763 0.738 587 HG23 ILE 74 HG23 ILE 74 2.018 10.885 1.880 588 HD11 ILE 74 HD11 ILE 74 6.329 11.549 3.604 589 HD12 ILE 74 HD12 ILE 74 5.467 10.149 4.240 590 HD13 ILE 74 HD13 ILE 74 5.350 11.703 5.063 591 H LEU 75 HN LEU 75 4.506 7.568 1.542 592 HA LEU 75 HA LEU 75 4.389 7.416 -1.396 593 HB2 LEU 75 HB2 LEU 75 5.797 5.737 -0.233 594 HB3 LEU 75 HB1 LEU 75 4.405 5.211 0.683 595 HG LEU 75 HG LEU 75 5.217 3.796 -1.322 596 HD11 LEU 75 HD11 LEU 75 2.919 3.112 -1.850 597 HD12 LEU 75 HD12 LEU 75 2.319 4.543 -1.009 598 HD13 LEU 75 HD13 LEU 75 3.192 3.296 -0.118 599 HD21 LEU 75 HD21 LEU 75 4.230 4.376 -3.464 600 HD22 LEU 75 HD22 LEU 75 5.353 5.626 -2.931 601 HD23 LEU 75 HD23 LEU 75 3.615 5.884 -2.788 602 H TYR 76 HN TYR 76 2.398 8.196 -1.937 603 HA TYR 76 HA TYR 76 0.129 7.609 -0.221 604 HB2 TYR 76 HB2 TYR 76 -0.810 9.474 -1.073 605 HB3 TYR 76 HB1 TYR 76 0.781 9.802 -1.742 606 HD1 TYR 76 HD1 TYR 76 1.215 9.463 -4.130 607 HD2 TYR 76 HD2 TYR 76 -2.637 8.749 -2.468 608 HE1 TYR 76 HE1 TYR 76 0.241 9.469 -6.387 609 HE2 TYR 76 HE2 TYR 76 -3.616 8.752 -4.719 610 HH TYR 76 HH TYR 76 -1.832 8.446 -7.490 611 H ILE 77 HN ILE 77 -1.690 6.436 -0.842 612 HA ILE 77 HA ILE 77 -1.148 4.499 -2.989 613 HB ILE 77 HB ILE 77 -2.949 4.283 -0.573 614 HG12 ILE 77 HG12 ILE 77 -0.542 4.054 -0.088 615 HG13 ILE 77 HG11 ILE 77 -1.408 2.543 0.168 616 HG21 ILE 77 HG21 ILE 77 -2.443 2.257 -2.746 617 HG22 ILE 77 HG22 ILE 77 -3.942 3.146 -2.483 618 HG23 ILE 77 HG23 ILE 77 -3.383 1.985 -1.278 619 HD11 ILE 77 HD11 ILE 77 0.312 3.244 -2.200 620 HD12 ILE 77 HD12 ILE 77 -0.605 1.749 -2.017 621 HD13 ILE 77 HD13 ILE 77 0.707 2.121 -0.899 622 H ASN 78 HN ASN 78 -3.774 6.401 -1.542 623 HA ASN 78 HA ASN 78 -5.115 6.526 -4.126 624 HB2 ASN 78 HB2 ASN 78 -5.863 4.674 -2.126 625 HB3 ASN 78 HB1 ASN 78 -7.047 5.972 -2.043 626 HD21 ASN 78 HD21 ASN 78 -5.661 3.482 -4.026 627 HD22 ASN 78 HD22 ASN 78 -6.923 3.437 -5.210 628 H GLY 79 HN GLY 79 -7.130 8.013 -3.839 629 HA2 GLY 79 HA2 GLY 79 -6.348 10.392 -2.444 630 HA3 GLY 79 HA1 GLY 79 -7.877 10.127 -3.275 631 H LYS 80 HN LYS 80 -7.312 7.621 -1.235 632 HA LYS 80 HA LYS 80 -9.235 8.633 0.722 633 HB2 LYS 80 HB2 LYS 80 -8.340 5.778 0.358 634 HB3 LYS 80 HB1 LYS 80 -9.832 6.369 1.080 635 HG2 LYS 80 HG2 LYS 80 -10.667 7.059 -1.055 636 HG3 LYS 80 HG1 LYS 80 -9.114 6.697 -1.817 637 HD2 LYS 80 HD2 LYS 80 -9.404 4.382 -1.552 638 HD3 LYS 80 HD1 LYS 80 -10.727 4.591 -0.404 639 HE2 LYS 80 HE2 LYS 80 -11.441 3.861 -2.682 640 HE3 LYS 80 HE1 LYS 80 -12.195 5.354 -2.126 641 HZ1 LYS 80 HZ1 LYS 80 -9.821 5.293 -3.910 642 HZ2 LYS 80 HZ2 LYS 80 -10.793 6.626 -3.528 643 HZ3 LYS 80 HZ3 LYS 80 -11.417 5.369 -4.477 644 H LEU 81 HN LEU 81 -6.035 7.255 0.366 645 HA LEU 81 HA LEU 81 -5.291 8.092 2.993 646 HB2 LEU 81 HB2 LEU 81 -4.435 5.714 3.557 647 HB3 LEU 81 HB1 LEU 81 -6.096 6.148 3.885 648 HG LEU 81 HG LEU 81 -6.831 4.932 1.886 649 HD11 LEU 81 HD11 LEU 81 -4.804 5.234 0.524 650 HD12 LEU 81 HD12 LEU 81 -5.305 3.545 0.620 651 HD13 LEU 81 HD13 LEU 81 -3.944 4.118 1.586 652 HD21 LEU 81 HD21 LEU 81 -5.052 3.368 3.739 653 HD22 LEU 81 HD22 LEU 81 -6.276 2.673 2.676 654 HD23 LEU 81 HD23 LEU 81 -6.755 3.758 3.984 655 H SER 82 HN SER 82 -3.075 8.002 3.419 656 HA SER 82 HA SER 82 -1.360 7.281 1.156 657 HB2 SER 82 HB2 SER 82 -0.022 9.372 1.642 658 HB3 SER 82 HB1 SER 82 -1.618 9.661 0.952 659 HG SER 82 HG SER 82 -2.375 10.226 2.973 660 H ILE 83 HN ILE 83 0.692 6.527 1.735 661 HA ILE 83 HA ILE 83 0.901 5.761 4.562 662 HB ILE 83 HB ILE 83 2.332 4.609 2.158 663 HG12 ILE 83 HG12 ILE 83 -0.053 4.142 2.027 664 HG13 ILE 83 HG11 ILE 83 0.814 2.672 2.450 665 HG21 ILE 83 HG21 ILE 83 2.175 3.633 5.006 666 HG22 ILE 83 HG22 ILE 83 3.592 4.326 4.215 667 HG23 ILE 83 HG23 ILE 83 2.943 2.780 3.666 668 HD11 ILE 83 HD11 ILE 83 0.180 3.007 4.800 669 HD12 ILE 83 HD12 ILE 83 -1.212 2.840 3.732 670 HD13 ILE 83 HD13 ILE 83 -0.743 4.433 4.325 671 HA PRO 84 HA PRO 84 4.271 8.748 4.448 672 HB2 PRO 84 HB2 PRO 84 4.308 9.300 7.075 673 HB3 PRO 84 HB1 PRO 84 3.082 9.964 5.992 674 HG2 PRO 84 HG2 PRO 84 2.876 7.727 7.944 675 HG3 PRO 84 HG1 PRO 84 1.661 8.931 7.481 676 HD2 PRO 84 HD2 PRO 84 1.803 6.307 6.538 677 HD3 PRO 84 HD1 PRO 84 0.881 7.626 5.794 678 H LEU 85 HN LEU 85 6.399 8.378 4.597 679 HA LEU 85 HA LEU 85 7.232 5.942 6.010 680 HB2 LEU 85 HB2 LEU 85 8.582 7.555 3.844 681 HB3 LEU 85 HB1 LEU 85 9.359 6.227 4.679 682 HG LEU 85 HG LEU 85 8.620 5.316 2.654 683 HD11 LEU 85 HD11 LEU 85 6.487 4.664 4.678 684 HD12 LEU 85 HD12 LEU 85 8.076 3.906 4.567 685 HD13 LEU 85 HD13 LEU 85 6.906 3.701 3.263 686 HD21 LEU 85 HD21 LEU 85 5.963 6.649 3.121 687 HD22 LEU 85 HD22 LEU 85 6.349 5.566 1.784 688 HD23 LEU 85 HD23 LEU 85 7.179 7.114 1.930 689 HA PRO 86 HA PRO 86 9.458 8.287 9.049 690 HB2 PRO 86 HB2 PRO 86 11.455 6.507 9.611 691 HB3 PRO 86 HB1 PRO 86 9.817 6.380 10.256 692 HG2 PRO 86 HG2 PRO 86 11.084 4.920 7.991 693 HG3 PRO 86 HG1 PRO 86 9.929 4.333 9.199 694 HD2 PRO 86 HD2 PRO 86 9.235 4.992 6.645 695 HD3 PRO 86 HD1 PRO 86 8.121 5.109 8.021 696 H ARG 87 HN ARG 87 11.198 9.643 9.126 697 HA ARG 87 HA ARG 87 12.509 10.053 6.594 698 HB2 ARG 87 HB2 ARG 87 12.479 11.596 9.182 699 HB3 ARG 87 HB1 ARG 87 13.541 12.039 7.854 700 HG2 ARG 87 HG2 ARG 87 11.606 13.413 7.730 701 HG3 ARG 87 HG1 ARG 87 11.525 12.256 6.402 702 HD2 ARG 87 HD2 ARG 87 10.011 10.859 7.797 703 HD3 ARG 87 HD1 ARG 87 10.015 12.137 9.010 704 HE ARG 87 HE ARG 87 9.287 13.250 6.542 705 HH11 ARG 87 HH11 ARG 87 8.008 11.037 8.945 706 HH12 ARG 87 HH12 ARG 87 6.354 11.398 8.568 707 HH21 ARG 87 HH21 ARG 87 7.107 13.714 6.054 708 HH22 ARG 87 HH22 ARG 87 5.842 12.925 6.944 709 H ASP 88 HN ASP 88 13.145 8.089 9.099 710 HA ASP 88 HA ASP 88 16.008 8.423 9.257 711 HB2 ASP 88 HB2 ASP 88 14.775 7.591 11.196 712 HB3 ASP 88 HB1 ASP 88 14.172 6.231 10.258 713 H ILE 89 HN ILE 89 13.829 6.994 7.123 714 HA ILE 89 HA ILE 89 15.818 5.051 6.169 715 HB ILE 89 HB ILE 89 12.837 5.070 5.677 716 HG12 ILE 89 HG12 ILE 89 14.520 3.341 7.499 717 HG13 ILE 89 HG11 ILE 89 13.381 4.578 8.017 718 HG21 ILE 89 HG21 ILE 89 14.088 4.043 3.854 719 HG22 ILE 89 HG22 ILE 89 13.185 2.829 4.762 720 HG23 ILE 89 HG23 ILE 89 14.924 2.998 5.005 721 HD11 ILE 89 HD11 ILE 89 11.559 3.282 7.011 722 HD12 ILE 89 HD12 ILE 89 12.412 2.393 8.271 723 HD13 ILE 89 HD13 ILE 89 12.718 2.028 6.572 724 H VAL 90 HN VAL 90 16.633 5.261 4.189 725 HA VAL 90 HA VAL 90 15.802 7.477 2.520 726 HB VAL 90 HB VAL 90 18.178 7.136 2.708 727 HG11 VAL 90 HG11 VAL 90 18.219 4.774 3.266 728 HG12 VAL 90 HG12 VAL 90 19.298 5.106 1.910 729 HG13 VAL 90 HG13 VAL 90 17.725 4.359 1.625 730 HG21 VAL 90 HG21 VAL 90 18.816 6.896 0.339 731 HG22 VAL 90 HG22 VAL 90 17.428 7.960 0.567 732 HG23 VAL 90 HG23 VAL 90 17.190 6.313 -0.018 733 H VAL 91 HN VAL 91 14.207 7.271 1.093 734 HA VAL 91 HA VAL 91 13.601 4.567 0.077 735 HB VAL 91 HB VAL 91 11.598 6.733 0.749 736 HG11 VAL 91 HG11 VAL 91 9.914 5.007 0.351 737 HG12 VAL 91 HG12 VAL 91 11.184 3.891 -0.150 738 HG13 VAL 91 HG13 VAL 91 10.865 5.344 -1.096 739 HG21 VAL 91 HG21 VAL 91 12.209 4.160 2.195 740 HG22 VAL 91 HG22 VAL 91 10.894 5.271 2.580 741 HG23 VAL 91 HG23 VAL 91 12.570 5.788 2.768 742 H ASN 92 HN ASN 92 13.298 4.325 -2.009 743 HA ASN 92 HA ASN 92 12.785 6.628 -3.728 744 HB2 ASN 92 HB2 ASN 92 14.504 5.172 -5.285 745 HB3 ASN 92 HB1 ASN 92 14.933 6.642 -4.421 746 HD21 ASN 92 HD21 ASN 92 14.852 3.142 -4.158 747 HD22 ASN 92 HD22 ASN 92 16.234 3.005 -3.128 748 H ALA 93 HN ALA 93 12.120 5.944 -5.915 749 HA ALA 93 HA ALA 93 9.994 4.116 -5.747 750 HB1 ALA 93 HB1 ALA 93 10.023 6.023 -7.273 751 HB2 ALA 93 HB2 ALA 93 9.707 4.516 -8.131 752 HB3 ALA 93 HB3 ALA 93 11.306 5.256 -8.207 753 H ALA 94 HN ALA 94 13.294 3.664 -6.483 754 HA ALA 94 HA ALA 94 12.946 1.204 -7.959 755 HB1 ALA 94 HB1 ALA 94 15.395 1.089 -7.904 756 HB2 ALA 94 HB2 ALA 94 15.428 2.482 -6.823 757 HB3 ALA 94 HB3 ALA 94 14.823 2.659 -8.469 758 H ASP 95 HN ASP 95 13.005 2.110 -4.707 759 HA ASP 95 HA ASP 95 13.902 -0.541 -3.797 760 HB2 ASP 95 HB2 ASP 95 15.026 1.514 -2.886 761 HB3 ASP 95 HB1 ASP 95 13.487 1.982 -2.178 762 H ILE 96 HN ILE 96 11.251 1.582 -4.087 763 HA ILE 96 HA ILE 96 9.494 0.389 -2.182 764 HB ILE 96 HB ILE 96 9.067 2.206 -4.546 765 HG12 ILE 96 HG12 ILE 96 8.759 2.801 -1.611 766 HG13 ILE 96 HG11 ILE 96 10.293 2.984 -2.460 767 HG21 ILE 96 HG21 ILE 96 7.022 1.371 -2.487 768 HG22 ILE 96 HG22 ILE 96 7.040 0.874 -4.177 769 HG23 ILE 96 HG23 ILE 96 6.788 2.569 -3.762 770 HD11 ILE 96 HD11 ILE 96 9.334 4.616 -3.928 771 HD12 ILE 96 HD12 ILE 96 9.045 5.083 -2.252 772 HD13 ILE 96 HD13 ILE 96 7.741 4.378 -3.209 773 H LYS 97 HN LYS 97 8.599 -1.528 -2.341 774 HA LYS 97 HA LYS 97 8.070 -2.657 -5.013 775 HB2 LYS 97 HB2 LYS 97 8.224 -4.262 -2.472 776 HB3 LYS 97 HB1 LYS 97 8.412 -4.815 -4.127 777 HG2 LYS 97 HG2 LYS 97 10.368 -3.119 -2.592 778 HG3 LYS 97 HG1 LYS 97 10.530 -4.838 -2.944 779 HD2 LYS 97 HD2 LYS 97 10.423 -2.623 -4.995 780 HD3 LYS 97 HD1 LYS 97 11.882 -3.453 -4.455 781 HE2 LYS 97 HE2 LYS 97 10.819 -5.595 -5.235 782 HE3 LYS 97 HE1 LYS 97 9.554 -4.613 -5.969 783 HZ1 LYS 97 HZ1 LYS 97 11.209 -3.537 -7.335 784 HZ2 LYS 97 HZ2 LYS 97 11.291 -5.211 -7.548 785 HZ3 LYS 97 HZ3 LYS 97 12.447 -4.424 -6.601 786 H ILE 98 HN ILE 98 5.970 -2.331 -5.505 787 HA ILE 98 HA ILE 98 3.975 -2.666 -3.359 788 HB ILE 98 HB ILE 98 3.697 -1.083 -5.920 789 HG12 ILE 98 HG12 ILE 98 4.063 -0.153 -3.063 790 HG13 ILE 98 HG11 ILE 98 5.267 -0.046 -4.339 791 HG21 ILE 98 HG21 ILE 98 1.573 -1.977 -5.176 792 HG22 ILE 98 HG22 ILE 98 1.625 -0.238 -4.888 793 HG23 ILE 98 HG23 ILE 98 1.856 -1.362 -3.549 794 HD11 ILE 98 HD11 ILE 98 4.240 2.098 -4.013 795 HD12 ILE 98 HD12 ILE 98 2.635 1.402 -4.227 796 HD13 ILE 98 HD13 ILE 98 3.760 1.453 -5.581 797 H PHE 99 HN PHE 99 2.779 -4.438 -3.473 798 HA PHE 99 HA PHE 99 2.187 -5.610 -6.109 799 HB2 PHE 99 HB2 PHE 99 2.958 -7.079 -3.581 800 HB3 PHE 99 HB1 PHE 99 2.310 -7.858 -5.017 801 HD1 PHE 99 HD2 PHE 99 3.639 -8.019 -7.048 802 HD2 PHE 99 HD1 PHE 99 5.219 -6.303 -3.492 803 HE1 PHE 99 HE2 PHE 99 5.913 -8.238 -7.959 804 HE2 PHE 99 HE1 PHE 99 7.495 -6.524 -4.395 805 HZ PHE 99 HZ PHE 99 7.844 -7.490 -6.630 806 H HIS 100 HN HIS 100 0.065 -5.562 -6.435 807 HA HIS 100 HA HIS 100 -1.735 -5.674 -4.122 808 HB2 HIS 100 HB2 HIS 100 -2.126 -3.811 -5.654 809 HB3 HIS 100 HB1 HIS 100 -2.311 -4.929 -6.996 810 HD1 HIS 100 HD1 HIS 100 -4.675 -5.424 -7.573 811 HD2 HIS 100 HD2 HIS 100 -4.223 -4.412 -3.551 812 HE1 HIS 100 HE1 HIS 100 -6.997 -5.390 -6.605 813 HE2 HIS 100 HE2 HIS 100 -6.702 -4.841 -4.169 814 H ILE 101 HN ILE 101 -2.577 -7.564 -3.607 815 HA ILE 101 HA ILE 101 -3.018 -9.560 -5.715 816 HB ILE 101 HB ILE 101 -3.127 -9.862 -2.707 817 HG12 ILE 101 HG12 ILE 101 -1.068 -10.848 -4.697 818 HG13 ILE 101 HG11 ILE 101 -0.847 -9.502 -3.579 819 HG21 ILE 101 HG21 ILE 101 -3.394 -12.210 -3.054 820 HG22 ILE 101 HG22 ILE 101 -3.213 -12.026 -4.798 821 HG23 ILE 101 HG23 ILE 101 -4.637 -11.379 -3.988 822 HD11 ILE 101 HD11 ILE 101 -1.218 -11.097 -1.710 823 HD12 ILE 101 HD12 ILE 101 0.230 -11.409 -2.668 824 HD13 ILE 101 HD13 ILE 101 -1.210 -12.401 -2.897 825 H ARG 102 HN ARG 102 -4.964 -9.220 -6.653 826 HA ARG 102 HA ARG 102 -7.105 -8.001 -5.162 827 HB2 ARG 102 HB2 ARG 102 -8.397 -8.201 -7.273 828 HB3 ARG 102 HB1 ARG 102 -6.893 -7.309 -7.425 829 HG2 ARG 102 HG2 ARG 102 -5.832 -9.182 -8.490 830 HG3 ARG 102 HG1 ARG 102 -7.260 -10.186 -8.219 831 HD2 ARG 102 HD2 ARG 102 -7.239 -9.368 -10.501 832 HD3 ARG 102 HD1 ARG 102 -8.581 -8.661 -9.604 833 HE ARG 102 HE ARG 102 -6.114 -7.100 -9.790 834 HH11 ARG 102 HH11 ARG 102 -9.429 -7.587 -10.850 835 HH12 ARG 102 HH12 ARG 102 -9.547 -6.019 -11.583 836 HH21 ARG 102 HH21 ARG 102 -6.277 -5.055 -10.761 837 HH22 ARG 102 HH22 ARG 102 -7.767 -4.577 -11.524 838 H LYS 103 HN LYS 103 -6.107 -11.195 -5.865 839 HA LYS 103 HA LYS 103 -8.572 -12.539 -5.537 840 HB2 LYS 103 HB2 LYS 103 -6.525 -13.616 -6.413 841 HB3 LYS 103 HB1 LYS 103 -5.782 -13.471 -4.828 842 HG2 LYS 103 HG2 LYS 103 -7.607 -14.909 -3.920 843 HG3 LYS 103 HG1 LYS 103 -8.161 -15.153 -5.576 844 HD2 LYS 103 HD2 LYS 103 -6.789 -17.019 -4.971 845 HD3 LYS 103 HD1 LYS 103 -5.891 -16.037 -6.129 846 HE2 LYS 103 HE2 LYS 103 -4.648 -15.010 -4.286 847 HE3 LYS 103 HE1 LYS 103 -5.548 -15.990 -3.132 848 HZ1 LYS 103 HZ1 LYS 103 -3.414 -16.968 -3.564 849 HZ2 LYS 103 HZ2 LYS 103 -3.708 -16.996 -5.234 850 HZ3 LYS 103 HZ3 LYS 103 -4.619 -17.974 -4.193 851 H GLU 104 HN GLU 104 -6.067 -11.535 -3.270 852 HA GLU 104 HA GLU 104 -7.640 -12.452 -0.989 853 HB2 GLU 104 HB2 GLU 104 -5.168 -12.905 -1.169 854 HB3 GLU 104 HB1 GLU 104 -4.895 -11.175 -1.027 855 HG2 GLU 104 HG2 GLU 104 -4.522 -12.210 1.095 856 HG3 GLU 104 HG1 GLU 104 -5.980 -11.222 1.188 857 H ARG 105 HN ARG 105 -7.432 -9.808 -2.898 858 HA ARG 105 HA ARG 105 -8.005 -7.624 -2.788 859 HB2 ARG 105 HB2 ARG 105 -9.496 -8.547 -0.323 860 HB3 ARG 105 HB1 ARG 105 -9.741 -7.006 -1.133 861 HG2 ARG 105 HG2 ARG 105 -10.507 -8.143 -3.132 862 HG3 ARG 105 HG1 ARG 105 -10.189 -9.709 -2.386 863 HD2 ARG 105 HD2 ARG 105 -11.850 -9.201 -0.650 864 HD3 ARG 105 HD1 ARG 105 -12.183 -7.657 -1.434 865 HE ARG 105 HE ARG 105 -12.592 -9.477 -3.408 866 HH11 ARG 105 HH11 ARG 105 -13.846 -9.105 -0.158 867 HH12 ARG 105 HH12 ARG 105 -15.351 -9.890 -0.513 868 HH21 ARG 105 HH21 ARG 105 -14.579 -10.503 -3.876 869 HH22 ARG 105 HH22 ARG 105 -15.776 -10.664 -2.628 870 H THR 106 HN THR 106 -5.494 -8.308 -1.681 871 HA THR 106 HA THR 106 -5.273 -6.350 0.508 872 HB THR 106 HB THR 106 -3.760 -8.963 0.277 873 HG1 THR 106 HG1 THR 106 -6.108 -8.896 0.997 874 HG21 THR 106 HG21 THR 106 -3.734 -6.835 2.423 875 HG22 THR 106 HG22 THR 106 -2.411 -7.233 1.330 876 HG23 THR 106 HG23 THR 106 -2.937 -8.404 2.539 877 H LEU 107 HN LEU 107 -3.647 -4.896 0.333 878 HA LEU 107 HA LEU 107 -1.859 -5.158 -1.987 879 HB2 LEU 107 HB2 LEU 107 -3.255 -3.168 -2.018 880 HB3 LEU 107 HB1 LEU 107 -2.707 -2.723 -0.414 881 HG LEU 107 HG LEU 107 -0.455 -2.310 -1.269 882 HD11 LEU 107 HD11 LEU 107 -0.398 -3.958 -3.050 883 HD12 LEU 107 HD12 LEU 107 -0.028 -2.353 -3.681 884 HD13 LEU 107 HD13 LEU 107 -1.623 -3.056 -3.941 885 HD21 LEU 107 HD21 LEU 107 -0.959 -0.365 -2.659 886 HD22 LEU 107 HD22 LEU 107 -2.063 -0.481 -1.287 887 HD23 LEU 107 HD23 LEU 107 -2.600 -0.962 -2.897 888 H TYR 108 HN TYR 108 0.220 -5.527 -1.661 889 HA TYR 108 HA TYR 108 1.262 -5.333 1.081 890 HB2 TYR 108 HB2 TYR 108 2.268 -6.963 -1.264 891 HB3 TYR 108 HB1 TYR 108 2.951 -6.971 0.357 892 HD1 TYR 108 HD2 TYR 108 -0.231 -7.642 -1.461 893 HD2 TYR 108 HD1 TYR 108 2.206 -8.541 1.905 894 HE1 TYR 108 HE2 TYR 108 -1.779 -9.430 -0.828 895 HE2 TYR 108 HE1 TYR 108 0.658 -10.338 2.551 896 HH TYR 108 HH TYR 108 -1.824 -10.879 2.154 897 H ILE 109 HN ILE 109 2.719 -3.839 1.536 898 HA ILE 109 HA ILE 109 4.270 -2.622 -0.664 899 HB ILE 109 HB ILE 109 3.613 -1.389 2.008 900 HG12 ILE 109 HG12 ILE 109 1.564 -1.660 0.678 901 HG13 ILE 109 HG11 ILE 109 2.004 0.036 0.843 902 HG21 ILE 109 HG21 ILE 109 4.413 0.687 1.020 903 HG22 ILE 109 HG22 ILE 109 4.778 -0.165 -0.482 904 HG23 ILE 109 HG23 ILE 109 5.664 -0.557 0.993 905 HD11 ILE 109 HD11 ILE 109 2.913 0.027 -1.408 906 HD12 ILE 109 HD12 ILE 109 1.227 -0.490 -1.400 907 HD13 ILE 109 HD13 ILE 109 2.514 -1.683 -1.570 908 H TYR 110 HN TYR 110 6.397 -3.039 -0.602 909 HA TYR 110 HA TYR 110 7.652 -3.501 2.025 910 HB2 TYR 110 HB2 TYR 110 8.383 -4.866 -0.576 911 HB3 TYR 110 HB1 TYR 110 9.197 -5.087 0.964 912 HD1 TYR 110 HD2 TYR 110 6.153 -5.818 -0.958 913 HD2 TYR 110 HD1 TYR 110 8.249 -6.498 2.683 914 HE1 TYR 110 HE2 TYR 110 4.641 -7.683 -0.440 915 HE2 TYR 110 HE1 TYR 110 6.739 -8.363 3.210 916 HH TYR 110 HH TYR 110 4.692 -9.290 2.665 917 H ILE 111 HN ILE 111 9.254 -2.118 2.459 918 HA ILE 111 HA ILE 111 10.697 -0.880 0.218 919 HB ILE 111 HB ILE 111 9.703 0.630 2.647 920 HG12 ILE 111 HG12 ILE 111 8.902 0.880 -0.263 921 HG13 ILE 111 HG11 ILE 111 7.927 0.125 0.992 922 HG21 ILE 111 HG21 ILE 111 11.288 1.569 0.255 923 HG22 ILE 111 HG22 ILE 111 11.879 1.426 1.910 924 HG23 ILE 111 HG23 ILE 111 10.633 2.613 1.518 925 HD11 ILE 111 HD11 ILE 111 7.150 2.364 0.513 926 HD12 ILE 111 HD12 ILE 111 8.747 3.015 0.884 927 HD13 ILE 111 HD13 ILE 111 7.784 2.264 2.156 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 9.228 24.262 -1.547 2 H2 GLY 1 HT2 GLY 1 10.338 25.422 -2.075 3 H3 GLY 1 HT3 GLY 1 10.883 24.015 -1.315 4 HA2 GLY 1 HA1 GLY 1 9.491 24.118 -3.927 5 HA3 GLY 1 HA2 GLY 1 11.224 23.921 -3.711 6 HA PRO 2 HA PRO 2 8.669 19.858 -2.635 7 HB2 PRO 2 HB2 PRO 2 7.405 19.741 -5.297 8 HB3 PRO 2 HB1 PRO 2 6.709 19.403 -3.709 9 HG2 PRO 2 HG2 PRO 2 6.056 21.607 -5.093 10 HG3 PRO 2 HG1 PRO 2 6.176 21.615 -3.324 11 HD2 PRO 2 HD2 PRO 2 8.116 22.635 -5.362 12 HD3 PRO 2 HD1 PRO 2 7.652 23.332 -3.796 13 H HIS 3 HN HIS 3 10.159 18.318 -2.873 14 HA HIS 3 HA HIS 3 11.986 18.355 -5.092 15 HB2 HIS 3 HB2 HIS 3 11.744 16.493 -2.725 16 HB3 HIS 3 HB1 HIS 3 13.018 16.384 -3.932 17 HD1 HIS 3 HD1 HIS 3 12.900 17.330 -0.696 18 HD2 HIS 3 HD2 HIS 3 13.972 19.461 -4.097 19 HE1 HIS 3 HE1 HIS 3 14.362 19.204 0.117 20 HE2 HIS 3 HE2 HIS 3 14.868 20.566 -1.940 21 H MET 4 HN MET 4 9.559 17.934 -6.168 22 HA MET 4 HA MET 4 8.548 16.700 -7.764 23 HB2 MET 4 HB2 MET 4 11.122 15.172 -7.538 24 HB3 MET 4 HB1 MET 4 9.846 14.655 -8.630 25 HG2 MET 4 HG2 MET 4 10.739 17.477 -8.782 26 HG3 MET 4 HG1 MET 4 11.817 16.231 -9.399 27 HE1 MET 4 HE1 MET 4 8.285 17.890 -9.680 28 HE2 MET 4 HE2 MET 4 7.805 16.202 -9.509 29 HE3 MET 4 HE3 MET 4 7.567 17.036 -11.044 30 H SER 5 HN SER 5 7.813 14.414 -8.339 31 HA SER 5 HA SER 5 7.499 12.609 -6.106 32 HB2 SER 5 HB2 SER 5 4.986 12.582 -6.412 33 HB3 SER 5 HB1 SER 5 5.627 14.035 -5.648 34 HG SER 5 HG SER 5 5.312 15.166 -7.504 35 H VAL 6 HN VAL 6 7.485 10.562 -6.841 36 HA VAL 6 HA VAL 6 7.252 10.212 -9.759 37 HB VAL 6 HB VAL 6 8.729 8.209 -9.446 38 HG11 VAL 6 HG11 VAL 6 10.815 9.573 -9.105 39 HG12 VAL 6 HG12 VAL 6 9.763 10.948 -8.752 40 HG13 VAL 6 HG13 VAL 6 9.706 10.177 -10.336 41 HG21 VAL 6 HG21 VAL 6 8.403 7.783 -7.097 42 HG22 VAL 6 HG22 VAL 6 9.047 9.371 -6.681 43 HG23 VAL 6 HG23 VAL 6 10.106 8.147 -7.380 44 H GLN 7 HN GLN 7 6.109 8.485 -10.562 45 HA GLN 7 HA GLN 7 4.097 7.450 -8.746 46 HB2 GLN 7 HB2 GLN 7 2.886 6.752 -10.692 47 HB3 GLN 7 HB1 GLN 7 3.466 8.382 -10.978 48 HG2 GLN 7 HG2 GLN 7 4.777 5.892 -12.040 49 HG3 GLN 7 HG1 GLN 7 3.639 6.888 -12.943 50 HE21 GLN 7 HE21 GLN 7 6.857 6.608 -11.711 51 HE22 GLN 7 HE22 GLN 7 7.523 7.969 -12.551 52 H ILE 8 HN ILE 8 3.870 5.333 -8.172 53 HA ILE 8 HA ILE 8 6.113 3.591 -8.956 54 HB ILE 8 HB ILE 8 4.385 3.091 -6.552 55 HG12 ILE 8 HG12 ILE 8 5.216 5.380 -6.286 56 HG13 ILE 8 HG11 ILE 8 6.026 4.296 -5.164 57 HG21 ILE 8 HG21 ILE 8 7.244 2.393 -7.222 58 HG22 ILE 8 HG22 ILE 8 5.858 1.305 -7.325 59 HG23 ILE 8 HG23 ILE 8 6.381 1.921 -5.758 60 HD11 ILE 8 HD11 ILE 8 7.588 5.870 -6.114 61 HD12 ILE 8 HD12 ILE 8 7.150 5.358 -7.743 62 HD13 ILE 8 HD13 ILE 8 7.966 4.235 -6.655 63 HA PRO 9 HA PRO 9 2.941 1.180 -11.005 64 HB2 PRO 9 HB2 PRO 9 4.600 -0.790 -11.870 65 HB3 PRO 9 HB1 PRO 9 4.445 0.773 -12.678 66 HG2 PRO 9 HG2 PRO 9 6.558 -0.190 -10.796 67 HG3 PRO 9 HG1 PRO 9 6.724 0.797 -12.260 68 HD2 PRO 9 HD2 PRO 9 6.774 1.836 -9.745 69 HD3 PRO 9 HD1 PRO 9 6.196 2.744 -11.156 70 H VAL 10 HN VAL 10 1.610 -0.189 -10.051 71 HA VAL 10 HA VAL 10 2.654 -1.955 -7.955 72 HB VAL 10 HB VAL 10 0.929 -0.619 -7.049 73 HG11 VAL 10 HG11 VAL 10 -1.310 -0.420 -8.044 74 HG12 VAL 10 HG12 VAL 10 -0.753 -1.339 -9.444 75 HG13 VAL 10 HG13 VAL 10 -0.048 0.238 -9.086 76 HG21 VAL 10 HG21 VAL 10 -0.797 -2.211 -6.435 77 HG22 VAL 10 HG22 VAL 10 0.778 -3.006 -6.467 78 HG23 VAL 10 HG23 VAL 10 -0.357 -3.245 -7.794 79 H VAL 11 HN VAL 11 2.647 -4.095 -8.168 80 HA VAL 11 HA VAL 11 1.560 -5.217 -10.645 81 HB VAL 11 HB VAL 11 3.414 -6.490 -8.620 82 HG11 VAL 11 HG11 VAL 11 2.647 -7.367 -11.403 83 HG12 VAL 11 HG12 VAL 11 2.117 -8.117 -9.897 84 HG13 VAL 11 HG13 VAL 11 3.821 -8.162 -10.355 85 HG21 VAL 11 HG21 VAL 11 4.485 -4.592 -9.697 86 HG22 VAL 11 HG22 VAL 11 4.037 -5.217 -11.284 87 HG23 VAL 11 HG23 VAL 11 5.183 -6.103 -10.279 88 H GLU 12 HN GLU 12 -0.329 -6.261 -10.587 89 HA GLU 12 HA GLU 12 -1.402 -7.050 -7.990 90 HB2 GLU 12 HB2 GLU 12 -2.742 -6.824 -10.689 91 HB3 GLU 12 HB1 GLU 12 -3.552 -7.318 -9.206 92 HG2 GLU 12 HG2 GLU 12 -2.893 -5.139 -8.210 93 HG3 GLU 12 HG1 GLU 12 -2.295 -4.657 -9.790 94 H VAL 13 HN VAL 13 -0.838 -8.975 -7.370 95 HA VAL 13 HA VAL 13 -1.033 -11.219 -9.267 96 HB VAL 13 HB VAL 13 0.881 -12.264 -7.915 97 HG11 VAL 13 HG11 VAL 13 1.396 -9.895 -9.705 98 HG12 VAL 13 HG12 VAL 13 1.169 -11.568 -10.210 99 HG13 VAL 13 HG13 VAL 13 2.594 -11.114 -9.277 100 HG21 VAL 13 HG21 VAL 13 1.295 -9.366 -7.174 101 HG22 VAL 13 HG22 VAL 13 2.442 -10.675 -6.884 102 HG23 VAL 13 HG23 VAL 13 0.879 -10.674 -6.065 103 H ASP 14 HN ASP 14 -0.691 -13.358 -7.723 104 HA ASP 14 HA ASP 14 -2.858 -13.134 -5.753 105 HB2 ASP 14 HB2 ASP 14 -3.073 -14.854 -7.544 106 HB3 ASP 14 HB1 ASP 14 -1.616 -15.630 -6.934 107 H GLU 15 HN GLU 15 0.504 -13.646 -6.083 108 HA GLU 15 HA GLU 15 0.862 -13.629 -3.220 109 HB2 GLU 15 HB2 GLU 15 2.244 -15.627 -3.133 110 HB3 GLU 15 HB1 GLU 15 0.636 -16.039 -3.701 111 HG2 GLU 15 HG2 GLU 15 2.825 -15.508 -5.657 112 HG3 GLU 15 HG1 GLU 15 2.714 -17.070 -4.847 113 H LEU 16 HN LEU 16 3.065 -13.164 -2.630 114 HA LEU 16 HA LEU 16 4.472 -11.660 -4.657 115 HB2 LEU 16 HB2 LEU 16 5.268 -12.197 -1.794 116 HB3 LEU 16 HB1 LEU 16 5.964 -10.995 -2.857 117 HG LEU 16 HG LEU 16 4.625 -9.657 -1.621 118 HD11 LEU 16 HD11 LEU 16 2.582 -9.105 -2.779 119 HD12 LEU 16 HD12 LEU 16 2.615 -10.658 -3.615 120 HD13 LEU 16 HD13 LEU 16 3.869 -9.457 -3.933 121 HD21 LEU 16 HD21 LEU 16 2.478 -10.315 -0.636 122 HD22 LEU 16 HD22 LEU 16 3.810 -11.357 -0.139 123 HD23 LEU 16 HD23 LEU 16 2.662 -11.915 -1.357 124 HA PRO 17 HA PRO 17 7.260 -14.890 -5.764 125 HB2 PRO 17 HB2 PRO 17 9.405 -13.417 -6.560 126 HB3 PRO 17 HB1 PRO 17 7.938 -13.597 -7.527 127 HG2 PRO 17 HG2 PRO 17 8.799 -11.333 -5.790 128 HG3 PRO 17 HG1 PRO 17 7.981 -11.293 -7.360 129 HD2 PRO 17 HD2 PRO 17 6.695 -10.918 -4.984 130 HD3 PRO 17 HD1 PRO 17 5.907 -11.591 -6.420 131 H GLU 18 HN GLU 18 9.610 -15.554 -5.403 132 HA GLU 18 HA GLU 18 10.030 -16.018 -2.718 133 HB2 GLU 18 HB2 GLU 18 12.055 -15.999 -4.953 134 HB3 GLU 18 HB1 GLU 18 12.322 -16.708 -3.367 135 HG2 GLU 18 HG2 GLU 18 10.501 -18.277 -3.752 136 HG3 GLU 18 HG1 GLU 18 10.214 -17.557 -5.336 137 H GLY 19 HN GLY 19 11.198 -15.133 -1.108 138 HA2 GLY 19 HA2 GLY 19 12.915 -13.701 -0.249 139 HA3 GLY 19 HA1 GLY 19 12.716 -12.676 -1.663 140 H TYR 20 HN TYR 20 9.710 -13.047 -1.266 141 HA TYR 20 HA TYR 20 9.422 -10.743 0.476 142 HB2 TYR 20 HB2 TYR 20 7.608 -12.124 -1.473 143 HB3 TYR 20 HB1 TYR 20 6.988 -10.927 -0.337 144 HD1 TYR 20 HD1 TYR 20 7.884 -8.604 -0.417 145 HD2 TYR 20 HD2 TYR 20 8.761 -11.459 -3.438 146 HE1 TYR 20 HE1 TYR 20 8.538 -6.790 -1.925 147 HE2 TYR 20 HE2 TYR 20 9.419 -9.648 -4.961 148 HH TYR 20 HH TYR 20 9.128 -7.306 -5.282 149 H ASP 21 HN ASP 21 8.041 -10.634 2.220 150 HA ASP 21 HA ASP 21 7.580 -13.227 3.522 151 HB2 ASP 21 HB2 ASP 21 9.179 -11.468 4.524 152 HB3 ASP 21 HB1 ASP 21 7.721 -10.566 4.929 153 H ARG 22 HN ARG 22 5.529 -13.810 3.201 154 HA ARG 22 HA ARG 22 3.431 -11.828 3.780 155 HB2 ARG 22 HB2 ARG 22 3.404 -12.575 1.422 156 HB3 ARG 22 HB1 ARG 22 3.258 -14.241 1.957 157 HG2 ARG 22 HG2 ARG 22 1.084 -13.850 2.843 158 HG3 ARG 22 HG1 ARG 22 1.238 -12.111 2.604 159 HD2 ARG 22 HD2 ARG 22 -0.168 -13.034 0.880 160 HD3 ARG 22 HD1 ARG 22 1.345 -12.488 0.168 161 HE ARG 22 HE ARG 22 1.908 -15.035 0.518 162 HH11 ARG 22 HH11 ARG 22 -1.029 -13.582 -0.671 163 HH12 ARG 22 HH12 ARG 22 -1.453 -14.935 -1.668 164 HH21 ARG 22 HH21 ARG 22 1.356 -16.840 -0.781 165 HH22 ARG 22 HH22 ARG 22 -0.101 -16.790 -1.726 166 H SER 23 HN SER 23 1.602 -12.591 4.944 167 HA SER 23 HA SER 23 0.552 -13.676 6.624 168 HB2 SER 23 HB2 SER 23 0.660 -15.673 5.171 169 HB3 SER 23 HB1 SER 23 2.245 -16.063 5.832 170 HG SER 23 HG SER 23 1.138 -16.120 7.932 171 H2 PRO 24 HT1 PRO 24 -23.547 15.576 4.845 172 H3 PRO 24 HT2 PRO 24 -23.518 15.332 3.230 173 HA PRO 24 HA PRO 24 -21.500 15.971 2.980 174 HB2 PRO 24 HB2 PRO 24 -20.918 17.798 5.081 175 HB3 PRO 24 HB1 PRO 24 -21.080 18.149 3.354 176 HG2 PRO 24 HG2 PRO 24 -23.090 18.371 5.524 177 HG3 PRO 24 HG1 PRO 24 -22.938 19.310 4.028 178 HD2 PRO 24 HD2 PRO 24 -24.864 17.491 4.277 179 HD3 PRO 24 HD1 PRO 24 -23.990 17.662 2.742 180 H HIS 25 HN HIS 25 -19.675 15.005 3.806 181 HA HIS 25 HA HIS 25 -18.491 13.526 5.049 182 HB2 HIS 25 HB2 HIS 25 -19.724 15.138 7.289 183 HB3 HIS 25 HB1 HIS 25 -18.514 13.887 7.553 184 HD1 HIS 25 HD1 HIS 25 -18.838 17.423 6.903 185 HD2 HIS 25 HD2 HIS 25 -16.001 14.492 6.113 186 HE1 HIS 25 HE1 HIS 25 -16.722 18.662 6.347 187 HE2 HIS 25 HE2 HIS 25 -14.993 16.869 5.975 188 H GLU 26 HN GLU 26 -20.498 12.316 3.999 189 HA GLU 26 HA GLU 26 -21.539 10.563 6.123 190 HB2 GLU 26 HB2 GLU 26 -23.519 10.150 4.755 191 HB3 GLU 26 HB1 GLU 26 -23.362 11.865 5.093 192 HG2 GLU 26 HG2 GLU 26 -22.478 10.586 2.520 193 HG3 GLU 26 HG1 GLU 26 -24.072 11.289 2.769 194 H GLN 27 HN GLN 27 -21.573 8.307 5.611 195 HA GLN 27 HA GLN 27 -19.548 7.674 3.604 196 HB2 GLN 27 HB2 GLN 27 -19.404 5.459 4.740 197 HB3 GLN 27 HB1 GLN 27 -18.972 6.824 5.751 198 HG2 GLN 27 HG2 GLN 27 -20.211 5.442 7.140 199 HG3 GLN 27 HG1 GLN 27 -21.346 6.692 6.656 200 HE21 GLN 27 HE21 GLN 27 -23.125 6.149 5.460 201 HE22 GLN 27 HE22 GLN 27 -23.574 4.515 5.107 202 H GLN 28 HN GLN 28 -19.835 5.369 2.712 203 HA GLN 28 HA GLN 28 -22.578 4.769 1.961 204 HB2 GLN 28 HB2 GLN 28 -20.415 5.560 0.032 205 HB3 GLN 28 HB1 GLN 28 -21.717 4.489 -0.458 206 HG2 GLN 28 HG2 GLN 28 -23.345 6.210 0.108 207 HG3 GLN 28 HG1 GLN 28 -22.038 7.284 0.610 208 HE21 GLN 28 HE21 GLN 28 -21.756 5.126 -2.099 209 HE22 GLN 28 HE22 GLN 28 -21.770 6.353 -3.325 210 H GLU 29 HN GLU 29 -22.765 2.657 0.990 211 HA GLU 29 HA GLU 29 -21.158 0.821 2.474 212 HB2 GLU 29 HB2 GLU 29 -22.627 -0.899 1.478 213 HB3 GLU 29 HB1 GLU 29 -23.532 0.424 2.201 214 HG2 GLU 29 HG2 GLU 29 -23.972 1.374 0.040 215 HG3 GLU 29 HG1 GLU 29 -22.935 0.180 -0.737 216 H ASP 30 HN ASP 30 -21.017 2.083 -0.693 217 HA ASP 30 HA ASP 30 -19.542 -0.168 -1.788 218 HB2 ASP 30 HB2 ASP 30 -19.549 1.158 -3.872 219 HB3 ASP 30 HB1 ASP 30 -21.168 0.950 -3.215 220 H VAL 31 HN VAL 31 -18.784 2.407 0.113 221 HA VAL 31 HA VAL 31 -16.331 3.228 -1.136 222 HB VAL 31 HB VAL 31 -17.190 3.731 1.714 223 HG11 VAL 31 HG11 VAL 31 -14.840 4.193 1.247 224 HG12 VAL 31 HG12 VAL 31 -15.733 5.683 1.552 225 HG13 VAL 31 HG13 VAL 31 -15.305 5.234 -0.098 226 HG21 VAL 31 HG21 VAL 31 -18.940 4.451 0.183 227 HG22 VAL 31 HG22 VAL 31 -17.764 5.403 -0.726 228 HG23 VAL 31 HG23 VAL 31 -18.146 5.830 0.943 229 HA PRO 32 HA PRO 32 -14.143 -0.311 0.519 230 HB2 PRO 32 HB2 PRO 32 -11.687 0.510 -0.407 231 HB3 PRO 32 HB1 PRO 32 -12.859 -0.404 -1.367 232 HG2 PRO 32 HG2 PRO 32 -12.243 2.510 -1.387 233 HG3 PRO 32 HG1 PRO 32 -12.688 1.443 -2.730 234 HD2 PRO 32 HD2 PRO 32 -14.425 3.187 -1.564 235 HD3 PRO 32 HD1 PRO 32 -14.941 1.668 -2.322 236 H GLU 33 HN GLU 33 -13.428 -0.488 2.528 237 HA GLU 33 HA GLU 33 -12.172 1.835 3.786 238 HB2 GLU 33 HB2 GLU 33 -14.247 1.170 4.887 239 HB3 GLU 33 HB1 GLU 33 -13.659 -0.482 5.042 240 HG2 GLU 33 HG2 GLU 33 -12.031 0.135 6.625 241 HG3 GLU 33 HG1 GLU 33 -12.240 1.853 6.285 242 H TYR 34 HN TYR 34 -10.079 1.588 3.468 243 HA TYR 34 HA TYR 34 -8.819 -0.997 3.571 244 HB2 TYR 34 HB2 TYR 34 -7.664 1.773 3.272 245 HB3 TYR 34 HB1 TYR 34 -6.736 0.283 3.147 246 HD1 TYR 34 HD2 TYR 34 -7.519 -1.414 1.351 247 HD2 TYR 34 HD1 TYR 34 -8.647 2.688 1.373 248 HE1 TYR 34 HE2 TYR 34 -8.076 -1.563 -1.035 249 HE2 TYR 34 HE1 TYR 34 -9.206 2.551 -1.016 250 HH TYR 34 HH TYR 34 -9.477 -0.407 -2.672 251 H GLU 35 HN GLU 35 -7.313 -1.701 5.032 252 HA GLU 35 HA GLU 35 -7.060 -0.166 7.524 253 HB2 GLU 35 HB2 GLU 35 -8.542 -2.226 7.681 254 HB3 GLU 35 HB1 GLU 35 -7.101 -3.182 7.351 255 HG2 GLU 35 HG2 GLU 35 -6.049 -2.335 9.364 256 HG3 GLU 35 HG1 GLU 35 -7.437 -1.299 9.678 257 H VAL 36 HN VAL 36 -5.056 0.443 7.794 258 HA VAL 36 HA VAL 36 -2.942 -0.915 6.293 259 HB VAL 36 HB VAL 36 -3.039 1.318 5.602 260 HG11 VAL 36 HG11 VAL 36 -3.220 2.120 8.501 261 HG12 VAL 36 HG12 VAL 36 -4.512 2.196 7.300 262 HG13 VAL 36 HG13 VAL 36 -3.098 3.238 7.142 263 HG21 VAL 36 HG21 VAL 36 -0.907 1.157 7.727 264 HG22 VAL 36 HG22 VAL 36 -0.970 2.369 6.448 265 HG23 VAL 36 HG23 VAL 36 -0.758 0.666 6.040 266 H LYS 37 HN LYS 37 -1.212 -1.792 7.228 267 HA LYS 37 HA LYS 37 -0.795 -1.401 10.119 268 HB2 LYS 37 HB2 LYS 37 -0.386 -3.993 8.602 269 HB3 LYS 37 HB1 LYS 37 -0.082 -3.738 10.309 270 HG2 LYS 37 HG2 LYS 37 -2.096 -4.879 10.267 271 HG3 LYS 37 HG1 LYS 37 -2.586 -3.198 10.475 272 HD2 LYS 37 HD2 LYS 37 -3.097 -3.026 8.109 273 HD3 LYS 37 HD1 LYS 37 -2.512 -4.667 7.838 274 HE2 LYS 37 HE2 LYS 37 -4.842 -3.913 9.594 275 HE3 LYS 37 HE1 LYS 37 -4.970 -4.538 7.951 276 HZ1 LYS 37 HZ1 LYS 37 -3.744 -5.977 10.239 277 HZ2 LYS 37 HZ2 LYS 37 -3.926 -6.577 8.669 278 HZ3 LYS 37 HZ3 LYS 37 -5.291 -6.265 9.616 279 H MET 38 HN MET 38 1.397 -1.380 10.762 280 HA MET 38 HA MET 38 3.300 -1.171 8.520 281 HB2 MET 38 HB2 MET 38 2.476 0.888 10.141 282 HB3 MET 38 HB1 MET 38 3.975 0.374 10.906 283 HG2 MET 38 HG2 MET 38 5.253 1.031 9.175 284 HG3 MET 38 HG1 MET 38 4.017 0.684 7.977 285 HE1 MET 38 HE1 MET 38 5.595 3.070 7.327 286 HE2 MET 38 HE2 MET 38 4.377 4.324 7.076 287 HE3 MET 38 HE3 MET 38 4.076 2.674 6.521 288 H LYS 39 HN LYS 39 5.255 -2.174 8.738 289 HA LYS 39 HA LYS 39 5.797 -3.575 11.275 290 HB2 LYS 39 HB2 LYS 39 4.502 -4.911 9.407 291 HB3 LYS 39 HB1 LYS 39 6.087 -5.028 8.665 292 HG2 LYS 39 HG2 LYS 39 5.487 -5.947 11.464 293 HG3 LYS 39 HG1 LYS 39 5.399 -6.990 10.049 294 HD2 LYS 39 HD2 LYS 39 7.785 -6.477 9.593 295 HD3 LYS 39 HD1 LYS 39 7.838 -5.561 11.099 296 HE2 LYS 39 HE2 LYS 39 7.285 -8.509 10.782 297 HE3 LYS 39 HE1 LYS 39 8.729 -7.773 11.471 298 HZ1 LYS 39 HZ1 LYS 39 7.327 -8.517 13.234 299 HZ2 LYS 39 HZ2 LYS 39 5.986 -7.710 12.598 300 HZ3 LYS 39 HZ3 LYS 39 7.284 -6.826 13.226 301 H ARG 40 HN ARG 40 7.919 -3.579 11.814 302 HA ARG 40 HA ARG 40 9.798 -2.358 9.932 303 HB2 ARG 40 HB2 ARG 40 9.830 -2.769 12.909 304 HB3 ARG 40 HB1 ARG 40 11.311 -2.406 12.041 305 HG2 ARG 40 HG2 ARG 40 10.427 -0.384 12.961 306 HG3 ARG 40 HG1 ARG 40 10.266 -0.325 11.207 307 HD2 ARG 40 HD2 ARG 40 8.263 0.518 12.308 308 HD3 ARG 40 HD1 ARG 40 7.922 -0.948 11.390 309 HE ARG 40 HE ARG 40 8.502 -1.633 14.061 310 HH11 ARG 40 HH11 ARG 40 6.033 0.013 12.210 311 HH12 ARG 40 HH12 ARG 40 4.732 -0.497 13.238 312 HH21 ARG 40 HH21 ARG 40 6.793 -2.296 15.436 313 HH22 ARG 40 HH22 ARG 40 5.168 -1.794 15.087 314 H PHE 41 HN PHE 41 11.519 -3.370 9.099 315 HA PHE 41 HA PHE 41 12.080 -6.119 10.011 316 HB2 PHE 41 HB2 PHE 41 12.116 -4.964 7.232 317 HB3 PHE 41 HB1 PHE 41 13.051 -6.395 7.635 318 HD1 PHE 41 HD2 PHE 41 9.592 -5.043 7.662 319 HD2 PHE 41 HD1 PHE 41 12.082 -8.490 7.608 320 HE1 PHE 41 HE2 PHE 41 7.620 -6.462 7.286 321 HE2 PHE 41 HE1 PHE 41 10.112 -9.913 7.231 322 HZ PHE 41 HZ PHE 41 7.877 -8.898 7.070 323 H LYS 42 HN LYS 42 14.305 -6.821 9.746 324 HA LYS 42 HA LYS 42 16.294 -4.694 9.497 325 HB2 LYS 42 HB2 LYS 42 15.612 -5.115 11.957 326 HB3 LYS 42 HB1 LYS 42 16.443 -6.652 11.784 327 HG2 LYS 42 HG2 LYS 42 18.004 -5.204 12.758 328 HG3 LYS 42 HG1 LYS 42 18.469 -5.310 11.060 329 HD2 LYS 42 HD2 LYS 42 17.211 -3.201 10.650 330 HD3 LYS 42 HD1 LYS 42 16.928 -3.081 12.385 331 HE2 LYS 42 HE2 LYS 42 18.800 -1.688 11.767 332 HE3 LYS 42 HE1 LYS 42 19.361 -3.037 12.751 333 HZ1 LYS 42 HZ1 LYS 42 20.133 -4.151 10.782 334 HZ2 LYS 42 HZ2 LYS 42 20.791 -2.594 10.818 335 HZ3 LYS 42 HZ3 LYS 42 19.497 -2.942 9.788 336 H GLY 43 HN GLY 43 17.801 -5.389 8.098 337 HA2 GLY 43 HA2 GLY 43 19.343 -6.809 7.112 338 HA3 GLY 43 HA1 GLY 43 18.905 -8.038 8.286 339 H ALA 44 HN ALA 44 16.541 -6.470 6.262 340 HA ALA 44 HA ALA 44 16.277 -8.967 4.718 341 HB1 ALA 44 HB1 ALA 44 13.870 -8.577 4.628 342 HB2 ALA 44 HB2 ALA 44 14.060 -7.115 5.595 343 HB3 ALA 44 HB3 ALA 44 14.423 -8.691 6.298 344 H ALA 45 HN ALA 45 15.005 -8.544 2.618 345 HA ALA 45 HA ALA 45 16.403 -6.648 1.052 346 HB1 ALA 45 HB1 ALA 45 14.891 -7.297 -0.745 347 HB2 ALA 45 HB2 ALA 45 13.835 -8.099 0.419 348 HB3 ALA 45 HB3 ALA 45 15.461 -8.717 0.134 349 H TYR 46 HN TYR 46 13.805 -6.335 3.146 350 HA TYR 46 HA TYR 46 13.308 -3.604 2.245 351 HB2 TYR 46 HB2 TYR 46 10.849 -4.231 3.143 352 HB3 TYR 46 HB1 TYR 46 11.309 -4.404 1.450 353 HD1 TYR 46 HD1 TYR 46 10.971 -6.272 4.644 354 HD2 TYR 46 HD2 TYR 46 11.301 -6.508 0.406 355 HE1 TYR 46 HE1 TYR 46 10.493 -8.679 4.744 356 HE2 TYR 46 HE2 TYR 46 10.822 -8.916 0.500 357 HH TYR 46 HH TYR 46 11.017 -10.761 2.141 358 H LYS 47 HN LYS 47 12.824 -2.182 3.942 359 HA LYS 47 HA LYS 47 13.649 -3.206 6.576 360 HB2 LYS 47 HB2 LYS 47 13.536 -0.365 5.538 361 HB3 LYS 47 HB1 LYS 47 14.027 -0.822 7.155 362 HG2 LYS 47 HG2 LYS 47 16.010 -0.405 5.958 363 HG3 LYS 47 HG1 LYS 47 15.885 -2.159 6.098 364 HD2 LYS 47 HD2 LYS 47 16.586 -1.558 3.860 365 HD3 LYS 47 HD1 LYS 47 14.963 -2.247 3.812 366 HE2 LYS 47 HE2 LYS 47 14.100 0.135 3.854 367 HE3 LYS 47 HE1 LYS 47 15.762 0.645 3.571 368 HZ1 LYS 47 HZ1 LYS 47 15.757 -0.693 1.544 369 HZ2 LYS 47 HZ2 LYS 47 14.556 0.496 1.502 370 HZ3 LYS 47 HZ3 LYS 47 14.138 -1.114 1.812 371 H LEU 48 HN LEU 48 11.036 -1.936 4.796 372 HA LEU 48 HA LEU 48 9.383 -1.952 7.222 373 HB2 LEU 48 HB2 LEU 48 10.179 0.377 6.037 374 HB3 LEU 48 HB1 LEU 48 8.673 0.071 5.198 375 HG LEU 48 HG LEU 48 8.324 1.554 7.099 376 HD11 LEU 48 HD11 LEU 48 6.451 0.210 6.568 377 HD12 LEU 48 HD12 LEU 48 6.611 0.198 8.322 378 HD13 LEU 48 HD13 LEU 48 7.141 -1.192 7.382 379 HD21 LEU 48 HD21 LEU 48 10.179 0.778 8.494 380 HD22 LEU 48 HD22 LEU 48 9.309 -0.725 8.802 381 HD23 LEU 48 HD23 LEU 48 8.654 0.804 9.380 382 H ARG 49 HN ARG 49 7.455 -2.929 6.973 383 HA ARG 49 HA ARG 49 6.513 -3.468 4.233 384 HB2 ARG 49 HB2 ARG 49 7.347 -5.535 5.336 385 HB3 ARG 49 HB1 ARG 49 6.184 -5.282 6.632 386 HG2 ARG 49 HG2 ARG 49 4.352 -5.487 5.013 387 HG3 ARG 49 HG1 ARG 49 5.533 -5.784 3.736 388 HD2 ARG 49 HD2 ARG 49 4.659 -7.893 4.462 389 HD3 ARG 49 HD1 ARG 49 6.328 -7.761 5.007 390 HE ARG 49 HE ARG 49 4.425 -6.910 6.985 391 HH11 ARG 49 HH11 ARG 49 5.980 -9.704 5.569 392 HH12 ARG 49 HH12 ARG 49 5.868 -10.668 7.007 393 HH21 ARG 49 HH21 ARG 49 4.226 -8.194 8.873 394 HH22 ARG 49 HH22 ARG 49 4.861 -9.810 8.883 395 H ILE 50 HN ILE 50 4.625 -2.544 3.834 396 HA ILE 50 HA ILE 50 2.894 -1.860 6.130 397 HB ILE 50 HB ILE 50 2.931 -0.431 3.457 398 HG12 ILE 50 HG12 ILE 50 3.915 1.489 4.790 399 HG13 ILE 50 HG11 ILE 50 4.251 0.332 6.067 400 HG21 ILE 50 HG21 ILE 50 1.583 1.236 4.591 401 HG22 ILE 50 HG22 ILE 50 1.656 0.297 6.081 402 HG23 ILE 50 HG23 ILE 50 0.815 -0.351 4.671 403 HD11 ILE 50 HD11 ILE 50 6.189 0.879 4.634 404 HD12 ILE 50 HD12 ILE 50 5.348 0.128 3.276 405 HD13 ILE 50 HD13 ILE 50 5.794 -0.840 4.686 406 H LEU 51 HN LEU 51 0.896 -2.652 6.141 407 HA LEU 51 HA LEU 51 0.043 -4.213 3.791 408 HB2 LEU 51 HB2 LEU 51 -0.147 -4.715 6.723 409 HB3 LEU 51 HB1 LEU 51 -1.450 -5.295 5.709 410 HG LEU 51 HG LEU 51 0.227 -7.030 6.181 411 HD11 LEU 51 HD11 LEU 51 0.126 -6.182 3.294 412 HD12 LEU 51 HD12 LEU 51 -1.096 -7.129 4.140 413 HD13 LEU 51 HD13 LEU 51 0.517 -7.796 3.891 414 HD21 LEU 51 HD21 LEU 51 2.436 -6.910 5.157 415 HD22 LEU 51 HD22 LEU 51 2.206 -5.614 6.332 416 HD23 LEU 51 HD23 LEU 51 2.095 -5.269 4.606 417 H ILE 52 HN ILE 52 -1.533 -3.241 2.724 418 HA ILE 52 HA ILE 52 -3.587 -1.825 4.299 419 HB ILE 52 HB ILE 52 -2.829 -1.200 1.439 420 HG12 ILE 52 HG12 ILE 52 -2.122 1.037 2.699 421 HG13 ILE 52 HG11 ILE 52 -1.854 -0.087 4.031 422 HG21 ILE 52 HG21 ILE 52 -5.144 -0.711 2.007 423 HG22 ILE 52 HG22 ILE 52 -4.227 0.777 1.752 424 HG23 ILE 52 HG23 ILE 52 -4.611 0.247 3.390 425 HD11 ILE 52 HD11 ILE 52 -0.302 -1.356 2.688 426 HD12 ILE 52 HD12 ILE 52 0.177 0.341 2.747 427 HD13 ILE 52 HD13 ILE 52 -0.605 -0.303 1.304 428 H GLU 53 HN GLU 53 -5.231 -3.254 4.431 429 HA GLU 53 HA GLU 53 -5.927 -4.709 1.970 430 HB2 GLU 53 HB2 GLU 53 -6.869 -6.441 3.308 431 HB3 GLU 53 HB1 GLU 53 -5.281 -6.079 3.964 432 HG2 GLU 53 HG2 GLU 53 -6.374 -4.675 5.686 433 HG3 GLU 53 HG1 GLU 53 -7.936 -5.203 5.073 434 H ASN 54 HN ASN 54 -8.121 -4.987 1.466 435 HA ASN 54 HA ASN 54 -9.721 -2.633 2.142 436 HB2 ASN 54 HB2 ASN 54 -9.252 -3.422 -0.259 437 HB3 ASN 54 HB1 ASN 54 -10.358 -4.740 0.091 438 HD21 ASN 54 HD21 ASN 54 -12.085 -3.000 1.756 439 HD22 ASN 54 HD22 ASN 54 -12.978 -2.053 0.620 440 H LYS 55 HN LYS 55 -11.084 -2.868 3.805 441 HA LYS 55 HA LYS 55 -12.781 -5.255 3.830 442 HB2 LYS 55 HB2 LYS 55 -12.644 -5.116 6.398 443 HB3 LYS 55 HB1 LYS 55 -11.298 -5.849 5.538 444 HG2 LYS 55 HG2 LYS 55 -9.979 -3.867 5.781 445 HG3 LYS 55 HG1 LYS 55 -11.349 -2.982 6.454 446 HD2 LYS 55 HD2 LYS 55 -10.152 -5.433 7.729 447 HD3 LYS 55 HD1 LYS 55 -9.671 -3.788 8.136 448 HE2 LYS 55 HE2 LYS 55 -12.044 -3.306 8.710 449 HE3 LYS 55 HE1 LYS 55 -12.407 -5.010 8.445 450 HZ1 LYS 55 HZ1 LYS 55 -12.015 -4.422 10.797 451 HZ2 LYS 55 HZ2 LYS 55 -10.414 -4.020 10.409 452 HZ3 LYS 55 HZ3 LYS 55 -10.958 -5.611 10.223 453 H ALA 56 HN ALA 56 -14.447 -4.029 2.963 454 HA ALA 56 HA ALA 56 -15.789 -2.378 4.989 455 HB1 ALA 56 HB1 ALA 56 -15.385 -1.707 2.081 456 HB2 ALA 56 HB2 ALA 56 -14.962 -0.740 3.491 457 HB3 ALA 56 HB3 ALA 56 -16.651 -0.963 3.048 458 HA PRO 57 HA PRO 57 -19.562 -4.638 4.408 459 HB2 PRO 57 HB2 PRO 57 -21.147 -2.770 2.993 460 HB3 PRO 57 HB1 PRO 57 -21.128 -3.044 4.736 461 HG2 PRO 57 HG2 PRO 57 -19.698 -0.987 3.123 462 HG3 PRO 57 HG1 PRO 57 -20.375 -0.867 4.760 463 HD2 PRO 57 HD2 PRO 57 -17.755 -1.077 4.435 464 HD3 PRO 57 HD1 PRO 57 -18.567 -1.998 5.702 465 H ASN 58 HN ASN 58 -18.718 -2.710 1.599 466 HA ASN 58 HA ASN 58 -19.308 -5.035 -0.104 467 HB2 ASN 58 HB2 ASN 58 -20.090 -2.174 -0.652 468 HB3 ASN 58 HB1 ASN 58 -20.186 -3.469 -1.841 469 HD21 ASN 58 HD21 ASN 58 -21.432 -2.268 1.181 470 HD22 ASN 58 HD22 ASN 58 -22.888 -3.196 1.184 471 H SER 59 HN SER 59 -18.044 -1.784 -0.503 472 HA SER 59 HA SER 59 -16.158 -0.941 -1.393 473 HB2 SER 59 HB2 SER 59 -15.001 -3.719 -1.118 474 HB3 SER 59 HB1 SER 59 -14.117 -2.212 -1.294 475 HG SER 59 HG SER 59 -15.096 -3.370 0.918 476 H LYS 60 HN LYS 60 -16.092 -0.351 -3.403 477 HA LYS 60 HA LYS 60 -16.100 -2.422 -5.469 478 HB2 LYS 60 HB2 LYS 60 -17.311 -0.959 -6.937 479 HB3 LYS 60 HB1 LYS 60 -18.165 -1.054 -5.406 480 HG2 LYS 60 HG2 LYS 60 -17.357 1.126 -4.767 481 HG3 LYS 60 HG1 LYS 60 -16.386 1.224 -6.237 482 HD2 LYS 60 HD2 LYS 60 -18.650 0.847 -7.450 483 HD3 LYS 60 HD1 LYS 60 -19.360 1.359 -5.919 484 HE2 LYS 60 HE2 LYS 60 -17.462 2.917 -7.666 485 HE3 LYS 60 HE1 LYS 60 -19.162 3.268 -7.364 486 HZ1 LYS 60 HZ1 LYS 60 -16.966 3.388 -5.371 487 HZ2 LYS 60 HZ2 LYS 60 -18.601 3.653 -5.022 488 HZ3 LYS 60 HZ3 LYS 60 -17.771 4.706 -6.058 489 HA PRO 61 HA PRO 61 -11.915 -0.481 -5.341 490 HB2 PRO 61 HB2 PRO 61 -10.866 -2.583 -6.819 491 HB3 PRO 61 HB1 PRO 61 -10.855 -2.446 -5.060 492 HG2 PRO 61 HG2 PRO 61 -12.749 -3.910 -6.837 493 HG3 PRO 61 HG1 PRO 61 -12.071 -4.410 -5.277 494 HD2 PRO 61 HD2 PRO 61 -14.570 -3.511 -5.422 495 HD3 PRO 61 HD1 PRO 61 -13.524 -3.021 -4.072 496 H ASP 62 HN ASP 62 -11.405 0.944 -6.678 497 HA ASP 62 HA ASP 62 -12.444 0.926 -9.396 498 HB2 ASP 62 HB2 ASP 62 -12.917 2.932 -8.191 499 HB3 ASP 62 HB1 ASP 62 -11.246 3.087 -7.665 500 H ARG 63 HN ARG 63 -9.409 2.268 -8.118 501 HA ARG 63 HA ARG 63 -7.832 0.311 -9.503 502 HB2 ARG 63 HB2 ARG 63 -6.670 1.900 -10.938 503 HB3 ARG 63 HB1 ARG 63 -8.385 1.872 -11.323 504 HG2 ARG 63 HG2 ARG 63 -8.141 3.861 -9.407 505 HG3 ARG 63 HG1 ARG 63 -6.733 4.061 -10.440 506 HD2 ARG 63 HD2 ARG 63 -9.632 4.141 -11.176 507 HD3 ARG 63 HD1 ARG 63 -8.403 5.375 -11.427 508 HE ARG 63 HE ARG 63 -7.431 3.847 -13.115 509 HH11 ARG 63 HH11 ARG 63 -10.800 3.468 -12.193 510 HH12 ARG 63 HH12 ARG 63 -11.262 2.781 -13.719 511 HH21 ARG 63 HH21 ARG 63 -8.055 2.924 -15.120 512 HH22 ARG 63 HH22 ARG 63 -9.709 2.464 -15.371 513 H PHE 64 HN PHE 64 -5.440 1.066 -9.334 514 HA PHE 64 HA PHE 64 -5.045 2.448 -6.770 515 HB2 PHE 64 HB2 PHE 64 -3.787 -0.122 -7.728 516 HB3 PHE 64 HB1 PHE 64 -3.058 0.862 -6.464 517 HD1 PHE 64 HD2 PHE 64 -5.938 -1.243 -7.344 518 HD2 PHE 64 HD1 PHE 64 -3.971 0.949 -4.276 519 HE1 PHE 64 HE2 PHE 64 -7.363 -2.334 -5.660 520 HE2 PHE 64 HE1 PHE 64 -5.392 -0.137 -2.582 521 HZ PHE 64 HZ PHE 64 -7.090 -1.782 -3.276 522 H SER 65 HN SER 65 -3.841 4.186 -7.013 523 HA SER 65 HA SER 65 -1.727 4.142 -9.058 524 HB2 SER 65 HB2 SER 65 -3.442 6.551 -8.396 525 HB3 SER 65 HB1 SER 65 -2.223 6.431 -9.664 526 HG SER 65 HG SER 65 -3.618 4.645 -10.484 527 HA PRO 66 HA PRO 66 -0.001 5.384 -4.990 528 HB2 PRO 66 HB2 PRO 66 1.982 3.566 -4.886 529 HB3 PRO 66 HB1 PRO 66 0.336 3.207 -4.355 530 HG2 PRO 66 HG2 PRO 66 1.731 2.423 -6.858 531 HG3 PRO 66 HG1 PRO 66 0.522 1.545 -5.917 532 HD2 PRO 66 HD2 PRO 66 0.039 2.978 -8.255 533 HD3 PRO 66 HD1 PRO 66 -1.190 2.458 -7.085 534 H SER 67 HN SER 67 1.737 6.665 -4.654 535 HA SER 67 HA SER 67 3.908 6.788 -6.551 536 HB2 SER 67 HB2 SER 67 2.168 9.243 -6.247 537 HB3 SER 67 HB1 SER 67 3.563 9.036 -7.305 538 HG SER 67 HG SER 67 1.828 7.096 -7.836 539 H TYR 68 HN TYR 68 5.685 7.874 -5.763 540 HA TYR 68 HA TYR 68 5.530 8.486 -2.893 541 HB2 TYR 68 HB2 TYR 68 7.012 6.644 -3.316 542 HB3 TYR 68 HB1 TYR 68 7.817 7.515 -4.613 543 HD1 TYR 68 HD2 TYR 68 7.162 7.760 -0.941 544 HD2 TYR 68 HD1 TYR 68 9.799 8.612 -4.172 545 HE1 TYR 68 HE2 TYR 68 8.833 8.624 0.651 546 HE2 TYR 68 HE1 TYR 68 11.465 9.482 -2.584 547 HH TYR 68 HH TYR 68 11.377 8.948 0.675 548 H ASN 69 HN ASN 69 5.635 10.534 -2.364 549 HA ASN 69 HA ASN 69 6.964 12.409 -4.182 550 HB2 ASN 69 HB2 ASN 69 5.919 14.135 -2.554 551 HB3 ASN 69 HB1 ASN 69 4.873 13.309 -3.703 552 HD21 ASN 69 HD21 ASN 69 5.800 13.617 -0.386 553 HD22 ASN 69 HD22 ASN 69 4.437 12.799 0.284 554 H PHE 70 HN PHE 70 8.986 12.899 -3.806 555 HA PHE 70 HA PHE 70 10.408 12.043 -1.521 556 HB2 PHE 70 HB2 PHE 70 11.197 14.098 -3.601 557 HB3 PHE 70 HB1 PHE 70 12.290 13.359 -2.441 558 HD1 PHE 70 HD1 PHE 70 10.225 12.752 -5.422 559 HD2 PHE 70 HD2 PHE 70 13.202 11.204 -2.808 560 HE1 PHE 70 HE1 PHE 70 10.702 10.957 -7.030 561 HE2 PHE 70 HE2 PHE 70 13.680 9.402 -4.414 562 HZ PHE 70 HZ PHE 70 12.429 9.281 -6.529 563 H ALA 71 HN ALA 71 8.843 15.001 -2.392 564 HA ALA 71 HA ALA 71 10.087 16.858 -0.772 565 HB1 ALA 71 HB1 ALA 71 8.057 18.171 -0.977 566 HB2 ALA 71 HB2 ALA 71 7.166 16.739 -1.488 567 HB3 ALA 71 HB3 ALA 71 8.444 17.391 -2.512 568 H GLU 72 HN GLU 72 7.454 14.640 0.028 569 HA GLU 72 HA GLU 72 7.657 15.520 2.832 570 HB2 GLU 72 HB2 GLU 72 5.349 13.926 1.809 571 HB3 GLU 72 HB1 GLU 72 5.409 15.057 3.151 572 HG2 GLU 72 HG2 GLU 72 5.525 16.921 1.593 573 HG3 GLU 72 HG1 GLU 72 5.501 15.791 0.238 574 H ASN 73 HN ASN 73 8.751 13.250 0.860 575 HA ASN 73 HA ASN 73 9.288 11.059 0.849 576 HB2 ASN 73 HB2 ASN 73 10.289 10.168 2.964 577 HB3 ASN 73 HB1 ASN 73 10.952 11.705 2.436 578 HD21 ASN 73 HD21 ASN 73 8.894 10.124 4.767 579 HD22 ASN 73 HD22 ASN 73 8.909 11.398 5.931 580 H ILE 74 HN ILE 74 6.654 11.297 0.721 581 HA ILE 74 HA ILE 74 5.653 9.131 2.447 582 HB ILE 74 HB ILE 74 4.212 11.596 1.474 583 HG12 ILE 74 HG12 ILE 74 4.557 10.601 4.295 584 HG13 ILE 74 HG11 ILE 74 5.754 11.626 3.518 585 HG21 ILE 74 HG21 ILE 74 2.222 10.724 2.620 586 HG22 ILE 74 HG22 ILE 74 3.071 9.208 2.919 587 HG23 ILE 74 HG23 ILE 74 2.707 9.703 1.267 588 HD11 ILE 74 HD11 ILE 74 4.292 12.930 4.899 589 HD12 ILE 74 HD12 ILE 74 2.880 12.317 4.039 590 HD13 ILE 74 HD13 ILE 74 4.049 13.341 3.202 591 H LEU 75 HN LEU 75 4.602 7.491 1.504 592 HA LEU 75 HA LEU 75 4.366 7.502 -1.427 593 HB2 LEU 75 HB2 LEU 75 5.861 5.802 -0.451 594 HB3 LEU 75 HB1 LEU 75 4.556 5.220 0.557 595 HG LEU 75 HG LEU 75 5.205 3.848 -1.511 596 HD11 LEU 75 HD11 LEU 75 2.337 4.639 -1.042 597 HD12 LEU 75 HD12 LEU 75 3.226 3.337 -0.249 598 HD13 LEU 75 HD13 LEU 75 2.862 3.232 -1.971 599 HD21 LEU 75 HD21 LEU 75 4.128 4.488 -3.595 600 HD22 LEU 75 HD22 LEU 75 5.317 5.689 -3.094 601 HD23 LEU 75 HD23 LEU 75 3.598 6.003 -2.865 602 H TYR 76 HN TYR 76 2.314 8.090 -1.976 603 HA TYR 76 HA TYR 76 0.158 7.236 -0.205 604 HB2 TYR 76 HB2 TYR 76 -1.190 8.917 -1.104 605 HB3 TYR 76 HB1 TYR 76 0.402 9.646 -1.043 606 HD1 TYR 76 HD2 TYR 76 -2.198 8.285 -3.244 607 HD2 TYR 76 HD1 TYR 76 1.544 10.297 -3.055 608 HE1 TYR 76 HE2 TYR 76 -2.422 8.899 -5.609 609 HE2 TYR 76 HE1 TYR 76 1.327 10.930 -5.422 610 HH TYR 76 HH TYR 76 0.165 10.193 -7.429 611 H ILE 77 HN ILE 77 -1.604 6.066 -0.899 612 HA ILE 77 HA ILE 77 -0.953 4.195 -3.038 613 HB ILE 77 HB ILE 77 -3.133 4.133 -0.946 614 HG12 ILE 77 HG12 ILE 77 -0.912 3.909 0.034 615 HG13 ILE 77 HG11 ILE 77 -1.766 2.373 0.107 616 HG21 ILE 77 HG21 ILE 77 -2.285 2.017 -2.918 617 HG22 ILE 77 HG22 ILE 77 -3.815 2.895 -2.905 618 HG23 ILE 77 HG23 ILE 77 -3.428 1.779 -1.595 619 HD11 ILE 77 HD11 ILE 77 0.526 1.999 -0.492 620 HD12 ILE 77 HD12 ILE 77 0.402 3.140 -1.830 621 HD13 ILE 77 HD13 ILE 77 -0.500 1.627 -1.876 622 H ASN 78 HN ASN 78 -3.463 6.428 -2.056 623 HA ASN 78 HA ASN 78 -4.352 6.859 -4.742 624 HB2 ASN 78 HB2 ASN 78 -5.935 5.150 -2.869 625 HB3 ASN 78 HB1 ASN 78 -6.820 6.342 -3.807 626 HD21 ASN 78 HD21 ASN 78 -6.896 3.423 -3.892 627 HD22 ASN 78 HD22 ASN 78 -6.554 2.995 -5.534 628 H GLY 79 HN GLY 79 -6.549 8.289 -4.427 629 HA2 GLY 79 HA2 GLY 79 -5.792 10.467 -2.708 630 HA3 GLY 79 HA1 GLY 79 -7.237 10.374 -3.706 631 H LYS 80 HN LYS 80 -6.932 7.622 -1.880 632 HA LYS 80 HA LYS 80 -9.059 8.475 -0.083 633 HB2 LYS 80 HB2 LYS 80 -7.935 5.700 -0.496 634 HB3 LYS 80 HB1 LYS 80 -9.482 6.132 0.226 635 HG2 LYS 80 HG2 LYS 80 -10.289 6.944 -1.901 636 HG3 LYS 80 HG1 LYS 80 -8.711 6.639 -2.630 637 HD2 LYS 80 HD2 LYS 80 -8.999 4.355 -2.622 638 HD3 LYS 80 HD1 LYS 80 -10.174 4.400 -1.308 639 HE2 LYS 80 HE2 LYS 80 -11.179 3.821 -3.497 640 HE3 LYS 80 HE1 LYS 80 -11.866 5.271 -2.773 641 HZ1 LYS 80 HZ1 LYS 80 -11.498 5.607 -5.113 642 HZ2 LYS 80 HZ2 LYS 80 -9.869 5.190 -4.972 643 HZ3 LYS 80 HZ3 LYS 80 -10.445 6.601 -4.242 644 H LEU 81 HN LEU 81 -5.802 7.167 -0.073 645 HA LEU 81 HA LEU 81 -5.320 8.235 2.528 646 HB2 LEU 81 HB2 LEU 81 -4.507 5.966 3.422 647 HB3 LEU 81 HB1 LEU 81 -6.210 6.353 3.496 648 HG LEU 81 HG LEU 81 -6.603 4.935 1.506 649 HD11 LEU 81 HD11 LEU 81 -4.892 3.478 0.659 650 HD12 LEU 81 HD12 LEU 81 -3.725 4.104 1.825 651 HD13 LEU 81 HD13 LEU 81 -4.330 5.148 0.538 652 HD21 LEU 81 HD21 LEU 81 -6.150 2.782 2.648 653 HD22 LEU 81 HD22 LEU 81 -6.943 3.984 3.667 654 HD23 LEU 81 HD23 LEU 81 -5.216 3.667 3.854 655 H SER 82 HN SER 82 -3.139 8.205 3.176 656 HA SER 82 HA SER 82 -1.245 7.456 1.061 657 HB2 SER 82 HB2 SER 82 0.039 9.555 1.789 658 HB3 SER 82 HB1 SER 82 -1.426 9.800 0.836 659 HG SER 82 HG SER 82 -2.518 10.399 2.661 660 H ILE 83 HN ILE 83 0.727 6.630 1.743 661 HA ILE 83 HA ILE 83 0.833 5.934 4.599 662 HB ILE 83 HB ILE 83 2.275 4.637 2.281 663 HG12 ILE 83 HG12 ILE 83 -0.121 4.271 2.072 664 HG13 ILE 83 HG11 ILE 83 0.665 2.781 2.579 665 HG21 ILE 83 HG21 ILE 83 2.771 2.850 3.862 666 HG22 ILE 83 HG22 ILE 83 1.960 3.747 5.144 667 HG23 ILE 83 HG23 ILE 83 3.432 4.388 4.414 668 HD11 ILE 83 HD11 ILE 83 -0.042 3.226 4.889 669 HD12 ILE 83 HD12 ILE 83 -1.400 3.079 3.776 670 HD13 ILE 83 HD13 ILE 83 -0.884 4.671 4.332 671 HA PRO 84 HA PRO 84 4.338 8.774 4.437 672 HB2 PRO 84 HB2 PRO 84 4.350 9.422 7.044 673 HB3 PRO 84 HB1 PRO 84 3.181 10.107 5.911 674 HG2 PRO 84 HG2 PRO 84 2.828 7.942 7.926 675 HG3 PRO 84 HG1 PRO 84 1.689 9.200 7.417 676 HD2 PRO 84 HD2 PRO 84 1.670 6.558 6.547 677 HD3 PRO 84 HD1 PRO 84 0.873 7.913 5.728 678 H LEU 85 HN LEU 85 6.427 8.301 4.610 679 HA LEU 85 HA LEU 85 7.165 5.936 6.178 680 HB2 LEU 85 HB2 LEU 85 8.629 7.385 3.966 681 HB3 LEU 85 HB1 LEU 85 9.296 6.036 4.862 682 HG LEU 85 HG LEU 85 8.552 5.094 2.862 683 HD11 LEU 85 HD11 LEU 85 6.700 3.641 3.456 684 HD12 LEU 85 HD12 LEU 85 6.297 4.691 4.812 685 HD13 LEU 85 HD13 LEU 85 7.827 3.815 4.802 686 HD21 LEU 85 HD21 LEU 85 5.992 6.650 3.158 687 HD22 LEU 85 HD22 LEU 85 6.349 5.491 1.877 688 HD23 LEU 85 HD23 LEU 85 7.291 6.975 2.010 689 HA PRO 86 HA PRO 86 9.246 8.471 9.152 690 HB2 PRO 86 HB2 PRO 86 11.117 6.668 10.014 691 HB3 PRO 86 HB1 PRO 86 9.432 6.658 10.540 692 HG2 PRO 86 HG2 PRO 86 10.791 4.971 8.493 693 HG3 PRO 86 HG1 PRO 86 9.542 4.524 9.667 694 HD2 PRO 86 HD2 PRO 86 9.018 4.979 7.039 695 HD3 PRO 86 HD1 PRO 86 7.837 5.284 8.327 696 H ARG 87 HN ARG 87 11.006 9.778 9.218 697 HA ARG 87 HA ARG 87 12.524 9.989 6.813 698 HB2 ARG 87 HB2 ARG 87 12.519 11.528 9.394 699 HB3 ARG 87 HB1 ARG 87 13.732 11.829 8.163 700 HG2 ARG 87 HG2 ARG 87 12.061 13.435 7.821 701 HG3 ARG 87 HG1 ARG 87 11.822 12.228 6.558 702 HD2 ARG 87 HD2 ARG 87 10.058 11.189 7.942 703 HD3 ARG 87 HD1 ARG 87 10.268 12.478 9.128 704 HE ARG 87 HE ARG 87 9.754 13.532 6.534 705 HH11 ARG 87 HH11 ARG 87 8.220 12.043 9.296 706 HH12 ARG 87 HH12 ARG 87 6.663 12.737 8.973 707 HH21 ARG 87 HH21 ARG 87 7.700 14.459 6.100 708 HH22 ARG 87 HH22 ARG 87 6.369 14.120 7.160 709 H ASP 88 HN ASP 88 12.908 8.059 9.464 710 HA ASP 88 HA ASP 88 15.762 8.119 9.734 711 HB2 ASP 88 HB2 ASP 88 14.255 7.352 11.549 712 HB3 ASP 88 HB1 ASP 88 13.757 5.994 10.550 713 H ILE 89 HN ILE 89 13.583 6.866 7.481 714 HA ILE 89 HA ILE 89 15.522 4.868 6.518 715 HB ILE 89 HB ILE 89 12.545 4.952 6.004 716 HG12 ILE 89 HG12 ILE 89 14.129 3.176 7.871 717 HG13 ILE 89 HG11 ILE 89 13.078 4.496 8.372 718 HG21 ILE 89 HG21 ILE 89 13.824 3.864 4.228 719 HG22 ILE 89 HG22 ILE 89 12.852 2.696 5.121 720 HG23 ILE 89 HG23 ILE 89 14.587 2.809 5.418 721 HD11 ILE 89 HD11 ILE 89 12.227 1.994 6.944 722 HD12 ILE 89 HD12 ILE 89 11.168 3.328 7.403 723 HD13 ILE 89 HD13 ILE 89 11.972 2.373 8.648 724 H VAL 90 HN VAL 90 16.258 5.026 4.478 725 HA VAL 90 HA VAL 90 15.432 7.313 2.862 726 HB VAL 90 HB VAL 90 17.598 5.265 2.325 727 HG11 VAL 90 HG11 VAL 90 17.026 7.920 1.009 728 HG12 VAL 90 HG12 VAL 90 16.792 6.326 0.289 729 HG13 VAL 90 HG13 VAL 90 18.419 6.889 0.679 730 HG21 VAL 90 HG21 VAL 90 19.169 7.010 3.028 731 HG22 VAL 90 HG22 VAL 90 18.078 6.553 4.337 732 HG23 VAL 90 HG23 VAL 90 17.814 8.054 3.454 733 H VAL 91 HN VAL 91 13.780 7.053 1.486 734 HA VAL 91 HA VAL 91 13.409 4.394 0.284 735 HB VAL 91 HB VAL 91 11.691 4.544 1.903 736 HG11 VAL 91 HG11 VAL 91 11.855 6.925 2.398 737 HG12 VAL 91 HG12 VAL 91 10.180 6.437 2.137 738 HG13 VAL 91 HG13 VAL 91 11.053 7.298 0.871 739 HG21 VAL 91 HG21 VAL 91 10.898 3.732 -0.227 740 HG22 VAL 91 HG22 VAL 91 10.555 5.378 -0.756 741 HG23 VAL 91 HG23 VAL 91 9.629 4.666 0.565 742 H ASN 92 HN ASN 92 13.077 4.310 -1.825 743 HA ASN 92 HA ASN 92 12.373 6.718 -3.322 744 HB2 ASN 92 HB2 ASN 92 14.225 5.575 -4.982 745 HB3 ASN 92 HB1 ASN 92 14.509 6.991 -3.981 746 HD21 ASN 92 HD21 ASN 92 14.722 3.484 -4.014 747 HD22 ASN 92 HD22 ASN 92 16.087 3.375 -2.961 748 H ALA 93 HN ALA 93 11.960 6.143 -5.676 749 HA ALA 93 HA ALA 93 9.910 4.230 -5.758 750 HB1 ALA 93 HB1 ALA 93 9.825 4.681 -8.142 751 HB2 ALA 93 HB2 ALA 93 11.406 5.457 -8.067 752 HB3 ALA 93 HB3 ALA 93 10.029 6.180 -7.235 753 H ALA 94 HN ALA 94 13.285 3.940 -6.233 754 HA ALA 94 HA ALA 94 13.146 1.505 -7.806 755 HB1 ALA 94 HB1 ALA 94 15.589 1.540 -7.669 756 HB2 ALA 94 HB2 ALA 94 15.501 2.885 -6.530 757 HB3 ALA 94 HB3 ALA 94 14.949 3.098 -8.192 758 H ASP 95 HN ASP 95 12.844 2.274 -4.595 759 HA ASP 95 HA ASP 95 13.866 -0.340 -3.685 760 HB2 ASP 95 HB2 ASP 95 14.994 1.684 -2.755 761 HB3 ASP 95 HB1 ASP 95 13.455 2.192 -2.078 762 H ILE 96 HN ILE 96 11.182 1.752 -3.979 763 HA ILE 96 HA ILE 96 9.426 0.487 -2.112 764 HB ILE 96 HB ILE 96 8.962 2.334 -4.450 765 HG12 ILE 96 HG12 ILE 96 8.647 2.904 -1.512 766 HG13 ILE 96 HG11 ILE 96 10.177 3.122 -2.358 767 HG21 ILE 96 HG21 ILE 96 6.683 2.636 -3.656 768 HG22 ILE 96 HG22 ILE 96 6.953 1.451 -2.377 769 HG23 ILE 96 HG23 ILE 96 6.969 0.943 -4.064 770 HD11 ILE 96 HD11 ILE 96 9.165 4.727 -3.838 771 HD12 ILE 96 HD12 ILE 96 8.913 5.201 -2.156 772 HD13 ILE 96 HD13 ILE 96 7.593 4.475 -3.077 773 H LYS 97 HN LYS 97 8.610 -1.471 -2.338 774 HA LYS 97 HA LYS 97 8.072 -2.509 -5.048 775 HB2 LYS 97 HB2 LYS 97 8.274 -4.216 -2.581 776 HB3 LYS 97 HB1 LYS 97 8.501 -4.683 -4.256 777 HG2 LYS 97 HG2 LYS 97 10.375 -2.976 -2.633 778 HG3 LYS 97 HG1 LYS 97 10.600 -4.678 -3.022 779 HD2 LYS 97 HD2 LYS 97 10.355 -2.509 -5.102 780 HD3 LYS 97 HD1 LYS 97 11.897 -3.066 -4.451 781 HE2 LYS 97 HE2 LYS 97 9.869 -4.799 -5.860 782 HE3 LYS 97 HE1 LYS 97 11.331 -4.143 -6.592 783 HZ1 LYS 97 HZ1 LYS 97 11.227 -6.037 -4.304 784 HZ2 LYS 97 HZ2 LYS 97 12.639 -5.391 -4.973 785 HZ3 LYS 97 HZ3 LYS 97 11.664 -6.418 -5.893 786 H ILE 98 HN ILE 98 5.957 -2.198 -5.494 787 HA ILE 98 HA ILE 98 4.002 -2.564 -3.320 788 HB ILE 98 HB ILE 98 3.669 -1.017 -5.896 789 HG12 ILE 98 HG12 ILE 98 4.129 -0.073 -3.060 790 HG13 ILE 98 HG11 ILE 98 5.263 0.060 -4.397 791 HG21 ILE 98 HG21 ILE 98 1.602 -0.199 -4.922 792 HG22 ILE 98 HG22 ILE 98 1.882 -1.159 -3.471 793 HG23 ILE 98 HG23 ILE 98 1.575 -1.959 -5.011 794 HD11 ILE 98 HD11 ILE 98 3.673 1.532 -5.555 795 HD12 ILE 98 HD12 ILE 98 4.216 2.179 -4.007 796 HD13 ILE 98 HD13 ILE 98 2.613 1.452 -4.148 797 H PHE 99 HN PHE 99 2.808 -4.330 -3.388 798 HA PHE 99 HA PHE 99 2.053 -5.474 -5.989 799 HB2 PHE 99 HB2 PHE 99 3.169 -6.943 -3.599 800 HB3 PHE 99 HB1 PHE 99 2.272 -7.753 -4.876 801 HD1 PHE 99 HD2 PHE 99 5.345 -5.839 -4.132 802 HD2 PHE 99 HD1 PHE 99 3.289 -8.309 -6.919 803 HE1 PHE 99 HE2 PHE 99 7.417 -6.092 -5.434 804 HE2 PHE 99 HE1 PHE 99 5.357 -8.568 -8.223 805 HZ PHE 99 HZ PHE 99 7.424 -7.457 -7.481 806 H HIS 100 HN HIS 100 -0.084 -5.544 -6.142 807 HA HIS 100 HA HIS 100 -1.682 -5.607 -3.678 808 HB2 HIS 100 HB2 HIS 100 -2.217 -3.731 -5.128 809 HB3 HIS 100 HB1 HIS 100 -2.441 -4.808 -6.492 810 HD1 HIS 100 HD1 HIS 100 -4.864 -4.949 -7.028 811 HD2 HIS 100 HD2 HIS 100 -4.181 -4.783 -2.917 812 HE1 HIS 100 HE1 HIS 100 -7.123 -5.139 -5.945 813 HE2 HIS 100 HE2 HIS 100 -6.701 -5.031 -3.469 814 H ILE 101 HN ILE 101 -2.301 -7.573 -3.085 815 HA ILE 101 HA ILE 101 -2.840 -9.608 -5.096 816 HB ILE 101 HB ILE 101 -2.937 -9.766 -2.078 817 HG12 ILE 101 HG12 ILE 101 -0.924 -10.831 -4.070 818 HG13 ILE 101 HG11 ILE 101 -0.674 -9.454 -3.003 819 HG21 ILE 101 HG21 ILE 101 -3.126 -11.995 -4.102 820 HG22 ILE 101 HG22 ILE 101 -4.475 -11.354 -3.171 821 HG23 ILE 101 HG23 ILE 101 -3.144 -12.165 -2.346 822 HD11 ILE 101 HD11 ILE 101 -1.051 -12.322 -2.203 823 HD12 ILE 101 HD12 ILE 101 -0.970 -10.970 -1.074 824 HD13 ILE 101 HD13 ILE 101 0.425 -11.361 -2.084 825 H ARG 102 HN ARG 102 -4.723 -9.539 -6.043 826 HA ARG 102 HA ARG 102 -6.922 -8.033 -5.059 827 HB2 ARG 102 HB2 ARG 102 -6.934 -10.057 -7.302 828 HB3 ARG 102 HB1 ARG 102 -8.063 -8.732 -7.067 829 HG2 ARG 102 HG2 ARG 102 -6.259 -7.126 -7.457 830 HG3 ARG 102 HG1 ARG 102 -5.135 -8.462 -7.713 831 HD2 ARG 102 HD2 ARG 102 -5.841 -7.656 -9.855 832 HD3 ARG 102 HD1 ARG 102 -6.580 -9.233 -9.587 833 HE ARG 102 HE ARG 102 -8.220 -6.977 -8.833 834 HH11 ARG 102 HH11 ARG 102 -7.360 -9.229 -11.361 835 HH12 ARG 102 HH12 ARG 102 -8.813 -8.962 -12.272 836 HH21 ARG 102 HH21 ARG 102 -10.144 -6.612 -10.035 837 HH22 ARG 102 HH22 ARG 102 -10.390 -7.473 -11.521 838 H LYS 103 HN LYS 103 -6.190 -11.453 -5.289 839 HA LYS 103 HA LYS 103 -8.654 -12.540 -4.577 840 HB2 LYS 103 HB2 LYS 103 -6.754 -13.796 -5.515 841 HB3 LYS 103 HB1 LYS 103 -5.869 -13.581 -4.018 842 HG2 LYS 103 HG2 LYS 103 -8.519 -14.959 -4.010 843 HG3 LYS 103 HG1 LYS 103 -7.068 -15.820 -4.511 844 HD2 LYS 103 HD2 LYS 103 -7.464 -14.442 -1.855 845 HD3 LYS 103 HD1 LYS 103 -7.581 -16.178 -2.137 846 HE2 LYS 103 HE2 LYS 103 -5.126 -14.454 -2.457 847 HE3 LYS 103 HE1 LYS 103 -5.419 -15.651 -1.200 848 HZ1 LYS 103 HZ1 LYS 103 -3.994 -16.582 -2.859 849 HZ2 LYS 103 HZ2 LYS 103 -5.061 -16.175 -4.104 850 HZ3 LYS 103 HZ3 LYS 103 -5.494 -17.354 -2.965 851 H GLU 104 HN GLU 104 -5.917 -11.611 -2.534 852 HA GLU 104 HA GLU 104 -7.342 -12.361 -0.124 853 HB2 GLU 104 HB2 GLU 104 -4.870 -12.764 -0.493 854 HB3 GLU 104 HB1 GLU 104 -4.640 -11.027 -0.370 855 HG2 GLU 104 HG2 GLU 104 -4.105 -12.096 1.723 856 HG3 GLU 104 HG1 GLU 104 -5.530 -11.074 1.909 857 H ARG 105 HN ARG 105 -7.370 -9.787 -2.138 858 HA ARG 105 HA ARG 105 -8.057 -7.625 -2.034 859 HB2 ARG 105 HB2 ARG 105 -9.101 -8.400 0.700 860 HB3 ARG 105 HB1 ARG 105 -9.590 -6.995 -0.233 861 HG2 ARG 105 HG2 ARG 105 -10.008 -9.847 -1.096 862 HG3 ARG 105 HG1 ARG 105 -11.221 -8.850 -0.292 863 HD2 ARG 105 HD2 ARG 105 -11.063 -7.234 -2.148 864 HD3 ARG 105 HD1 ARG 105 -9.930 -8.312 -2.960 865 HE ARG 105 HE ARG 105 -12.094 -9.882 -2.496 866 HH11 ARG 105 HH11 ARG 105 -11.637 -6.784 -4.050 867 HH12 ARG 105 HH12 ARG 105 -12.956 -6.999 -5.156 868 HH21 ARG 105 HH21 ARG 105 -13.839 -10.170 -3.947 869 HH22 ARG 105 HH22 ARG 105 -14.212 -8.921 -5.093 870 H THR 106 HN THR 106 -5.352 -8.286 -1.079 871 HA THR 106 HA THR 106 -5.053 -6.217 0.997 872 HB THR 106 HB THR 106 -3.484 -8.798 0.859 873 HG1 THR 106 HG1 THR 106 -5.832 -8.794 1.597 874 HG21 THR 106 HG21 THR 106 -3.544 -6.600 2.931 875 HG22 THR 106 HG22 THR 106 -2.216 -6.944 1.823 876 HG23 THR 106 HG23 THR 106 -2.652 -8.115 3.067 877 H LEU 107 HN LEU 107 -3.528 -4.742 0.676 878 HA LEU 107 HA LEU 107 -1.791 -5.064 -1.670 879 HB2 LEU 107 HB2 LEU 107 -3.176 -3.102 -1.781 880 HB3 LEU 107 HB1 LEU 107 -2.709 -2.619 -0.163 881 HG LEU 107 HG LEU 107 -0.452 -2.114 -0.923 882 HD11 LEU 107 HD11 LEU 107 0.146 -2.229 -3.276 883 HD12 LEU 107 HD12 LEU 107 -1.416 -2.946 -3.648 884 HD13 LEU 107 HD13 LEU 107 -0.259 -3.828 -2.655 885 HD21 LEU 107 HD21 LEU 107 -2.585 -0.918 -2.680 886 HD22 LEU 107 HD22 LEU 107 -0.975 -0.247 -2.427 887 HD23 LEU 107 HD23 LEU 107 -2.108 -0.353 -1.078 888 H TYR 108 HN TYR 108 0.278 -5.460 -1.379 889 HA TYR 108 HA TYR 108 1.408 -5.134 1.308 890 HB2 TYR 108 HB2 TYR 108 2.331 -6.837 -1.016 891 HB3 TYR 108 HB1 TYR 108 3.119 -6.751 0.556 892 HD1 TYR 108 HD2 TYR 108 -0.210 -7.504 -0.943 893 HD2 TYR 108 HD1 TYR 108 2.582 -8.332 2.150 894 HE1 TYR 108 HE2 TYR 108 -1.661 -9.298 -0.127 895 HE2 TYR 108 HE1 TYR 108 1.138 -10.138 2.979 896 HH TYR 108 HH TYR 108 -1.240 -10.793 2.892 897 H ILE 109 HN ILE 109 2.788 -3.559 1.656 898 HA ILE 109 HA ILE 109 4.315 -2.458 -0.616 899 HB ILE 109 HB ILE 109 3.793 -1.148 2.052 900 HG12 ILE 109 HG12 ILE 109 1.682 -1.405 0.825 901 HG13 ILE 109 HG11 ILE 109 2.170 0.285 0.899 902 HG21 ILE 109 HG21 ILE 109 4.590 0.885 0.980 903 HG22 ILE 109 HG22 ILE 109 4.872 -0.006 -0.517 904 HG23 ILE 109 HG23 ILE 109 5.815 -0.384 0.925 905 HD11 ILE 109 HD11 ILE 109 2.537 -1.542 -1.462 906 HD12 ILE 109 HD12 ILE 109 2.977 0.165 -1.385 907 HD13 ILE 109 HD13 ILE 109 1.283 -0.315 -1.285 908 H TYR 110 HN TYR 110 6.397 -3.038 -0.644 909 HA TYR 110 HA TYR 110 7.721 -3.573 1.941 910 HB2 TYR 110 HB2 TYR 110 8.339 -4.814 -0.747 911 HB3 TYR 110 HB1 TYR 110 9.246 -5.093 0.728 912 HD1 TYR 110 HD1 TYR 110 6.023 -5.695 -0.968 913 HD2 TYR 110 HD2 TYR 110 8.485 -6.669 2.367 914 HE1 TYR 110 HE1 TYR 110 4.574 -7.613 -0.459 915 HE2 TYR 110 HE2 TYR 110 7.035 -8.579 2.886 916 HH TYR 110 HH TYR 110 4.860 -9.421 2.483 917 H ILE 111 HN ILE 111 9.338 -2.246 2.421 918 HA ILE 111 HA ILE 111 10.725 -0.850 0.237 919 HB ILE 111 HB ILE 111 9.789 0.456 2.804 920 HG12 ILE 111 HG12 ILE 111 8.909 0.960 -0.050 921 HG13 ILE 111 HG11 ILE 111 7.983 0.047 1.135 922 HG21 ILE 111 HG21 ILE 111 11.286 1.601 0.446 923 HG22 ILE 111 HG22 ILE 111 11.941 1.317 2.059 924 HG23 ILE 111 HG23 ILE 111 10.677 2.525 1.821 925 HD11 ILE 111 HD11 ILE 111 7.149 2.313 0.907 926 HD12 ILE 111 HD12 ILE 111 8.734 2.951 1.342 927 HD13 ILE 111 HD13 ILE 111 7.797 2.038 2.524 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 15.483 15.242 1.600 2 H2 GLY 1 HT2 GLY 1 16.790 16.289 1.400 3 H3 GLY 1 HT3 GLY 1 16.976 14.870 2.297 4 HA2 GLY 1 HA1 GLY 1 17.978 14.599 0.135 5 HA3 GLY 1 HA2 GLY 1 16.587 13.539 0.318 6 HA PRO 2 HA PRO 2 15.737 15.561 -3.682 7 HB2 PRO 2 HB2 PRO 2 13.888 13.299 -3.989 8 HB3 PRO 2 HB1 PRO 2 15.233 13.790 -5.020 9 HG2 PRO 2 HG2 PRO 2 15.340 11.569 -3.505 10 HG3 PRO 2 HG1 PRO 2 16.774 12.560 -3.829 11 HD2 PRO 2 HD2 PRO 2 15.051 12.464 -1.380 12 HD3 PRO 2 HD1 PRO 2 16.821 12.561 -1.512 13 H HIS 3 HN HIS 3 13.816 16.569 -4.487 14 HA HIS 3 HA HIS 3 11.657 16.704 -2.487 15 HB2 HIS 3 HB2 HIS 3 12.946 18.979 -3.994 16 HB3 HIS 3 HB1 HIS 3 11.461 19.136 -3.062 17 HD1 HIS 3 HD1 HIS 3 15.042 19.435 -2.748 18 HD2 HIS 3 HD2 HIS 3 11.906 18.431 -0.210 19 HE1 HIS 3 HE1 HIS 3 15.939 19.719 -0.417 20 HE2 HIS 3 HE2 HIS 3 13.988 19.227 1.099 21 H MET 4 HN MET 4 12.189 15.563 -5.397 22 HA MET 4 HA MET 4 9.855 16.700 -6.717 23 HB2 MET 4 HB2 MET 4 11.931 14.700 -7.597 24 HB3 MET 4 HB1 MET 4 10.497 15.057 -8.552 25 HG2 MET 4 HG2 MET 4 12.576 17.055 -7.711 26 HG3 MET 4 HG1 MET 4 12.451 16.317 -9.304 27 HE1 MET 4 HE1 MET 4 12.499 18.803 -10.314 28 HE2 MET 4 HE2 MET 4 12.540 19.495 -8.691 29 HE3 MET 4 HE3 MET 4 11.346 20.059 -9.862 30 H SER 5 HN SER 5 8.657 14.773 -8.018 31 HA SER 5 HA SER 5 7.868 12.751 -6.045 32 HB2 SER 5 HB2 SER 5 5.466 13.188 -6.746 33 HB3 SER 5 HB1 SER 5 6.216 14.453 -5.772 34 HG SER 5 HG SER 5 5.813 14.435 -8.584 35 H VAL 6 HN VAL 6 7.272 10.805 -6.872 36 HA VAL 6 HA VAL 6 7.148 10.495 -9.796 37 HB VAL 6 HB VAL 6 8.454 8.399 -9.611 38 HG11 VAL 6 HG11 VAL 6 9.607 10.419 -10.291 39 HG12 VAL 6 HG12 VAL 6 10.670 9.412 -9.306 40 HG13 VAL 6 HG13 VAL 6 9.906 10.838 -8.604 41 HG21 VAL 6 HG21 VAL 6 9.808 8.034 -7.550 42 HG22 VAL 6 HG22 VAL 6 8.074 7.804 -7.324 43 HG23 VAL 6 HG23 VAL 6 8.849 9.284 -6.758 44 H GLN 7 HN GLN 7 6.142 8.346 -10.383 45 HA GLN 7 HA GLN 7 4.251 7.579 -8.285 46 HB2 GLN 7 HB2 GLN 7 2.731 6.836 -10.070 47 HB3 GLN 7 HB1 GLN 7 3.086 8.553 -10.151 48 HG2 GLN 7 HG2 GLN 7 3.254 8.019 -12.334 49 HG3 GLN 7 HG1 GLN 7 4.916 7.762 -11.825 50 HE21 GLN 7 HE21 GLN 7 5.775 5.757 -11.865 51 HE22 GLN 7 HE22 GLN 7 4.963 4.385 -12.516 52 H ILE 8 HN ILE 8 3.659 5.366 -8.194 53 HA ILE 8 HA ILE 8 5.944 3.657 -8.937 54 HB ILE 8 HB ILE 8 4.276 3.082 -6.517 55 HG12 ILE 8 HG12 ILE 8 5.047 5.412 -6.235 56 HG13 ILE 8 HG11 ILE 8 5.831 4.324 -5.100 57 HG21 ILE 8 HG21 ILE 8 6.310 1.959 -5.777 58 HG22 ILE 8 HG22 ILE 8 7.156 2.523 -7.219 59 HG23 ILE 8 HG23 ILE 8 5.816 1.383 -7.369 60 HD11 ILE 8 HD11 ILE 8 7.037 5.422 -7.627 61 HD12 ILE 8 HD12 ILE 8 7.828 4.310 -6.509 62 HD13 ILE 8 HD13 ILE 8 7.399 5.938 -5.980 63 HA PRO 9 HA PRO 9 2.756 1.236 -10.918 64 HB2 PRO 9 HB2 PRO 9 4.338 -0.830 -11.683 65 HB3 PRO 9 HB1 PRO 9 4.325 0.724 -12.521 66 HG2 PRO 9 HG2 PRO 9 6.268 -0.324 -10.508 67 HG3 PRO 9 HG1 PRO 9 6.579 0.594 -11.991 68 HD2 PRO 9 HD2 PRO 9 6.569 1.723 -9.515 69 HD3 PRO 9 HD1 PRO 9 6.125 2.611 -10.985 70 H VAL 10 HN VAL 10 1.372 -0.221 -10.103 71 HA VAL 10 HA VAL 10 2.339 -1.965 -7.941 72 HB VAL 10 HB VAL 10 0.756 -0.479 -6.981 73 HG11 VAL 10 HG11 VAL 10 -0.285 0.368 -8.997 74 HG12 VAL 10 HG12 VAL 10 -1.512 -0.173 -7.852 75 HG13 VAL 10 HG13 VAL 10 -1.105 -1.173 -9.246 76 HG21 VAL 10 HG21 VAL 10 0.528 -2.847 -6.338 77 HG22 VAL 10 HG22 VAL 10 -0.702 -3.052 -7.585 78 HG23 VAL 10 HG23 VAL 10 -0.997 -1.969 -6.223 79 H VAL 11 HN VAL 11 2.146 -4.077 -8.155 80 HA VAL 11 HA VAL 11 1.171 -5.145 -10.669 81 HB VAL 11 HB VAL 11 3.327 -5.822 -9.404 82 HG11 VAL 11 HG11 VAL 11 2.909 -6.421 -7.301 83 HG12 VAL 11 HG12 VAL 11 2.538 -7.988 -8.026 84 HG13 VAL 11 HG13 VAL 11 1.239 -6.860 -7.646 85 HG21 VAL 11 HG21 VAL 11 2.740 -7.040 -11.341 86 HG22 VAL 11 HG22 VAL 11 1.404 -7.836 -10.510 87 HG23 VAL 11 HG23 VAL 11 3.069 -8.222 -10.068 88 H GLU 12 HN GLU 12 -0.571 -6.638 -10.826 89 HA GLU 12 HA GLU 12 -1.984 -7.101 -8.293 90 HB2 GLU 12 HB2 GLU 12 -3.121 -6.931 -11.079 91 HB3 GLU 12 HB1 GLU 12 -4.030 -7.483 -9.675 92 HG2 GLU 12 HG2 GLU 12 -3.397 -5.278 -8.596 93 HG3 GLU 12 HG1 GLU 12 -2.892 -4.768 -10.202 94 H VAL 13 HN VAL 13 -1.033 -8.892 -7.652 95 HA VAL 13 HA VAL 13 -1.086 -11.209 -9.479 96 HB VAL 13 HB VAL 13 0.703 -12.162 -7.964 97 HG11 VAL 13 HG11 VAL 13 1.239 -11.280 -10.155 98 HG12 VAL 13 HG12 VAL 13 2.511 -10.866 -9.006 99 HG13 VAL 13 HG13 VAL 13 1.334 -9.648 -9.497 100 HG21 VAL 13 HG21 VAL 13 0.831 -9.308 -6.992 101 HG22 VAL 13 HG22 VAL 13 2.006 -10.572 -6.629 102 HG23 VAL 13 HG23 VAL 13 0.351 -10.713 -6.038 103 H ASP 14 HN ASP 14 -0.905 -13.315 -8.045 104 HA ASP 14 HA ASP 14 -3.261 -13.299 -6.316 105 HB2 ASP 14 HB2 ASP 14 -3.066 -14.936 -8.220 106 HB3 ASP 14 HB1 ASP 14 -1.700 -15.665 -7.385 107 H GLU 15 HN GLU 15 0.164 -13.660 -6.294 108 HA GLU 15 HA GLU 15 0.309 -13.329 -3.492 109 HB2 GLU 15 HB2 GLU 15 1.282 -15.409 -2.817 110 HB3 GLU 15 HB1 GLU 15 -0.241 -15.766 -3.614 111 HG2 GLU 15 HG2 GLU 15 0.908 -16.463 -5.606 112 HG3 GLU 15 HG1 GLU 15 2.460 -15.981 -4.919 113 H LEU 16 HN LEU 16 2.629 -13.332 -2.771 114 HA LEU 16 HA LEU 16 4.141 -11.911 -4.766 115 HB2 LEU 16 HB2 LEU 16 4.904 -12.549 -1.926 116 HB3 LEU 16 HB1 LEU 16 5.521 -11.249 -2.932 117 HG LEU 16 HG LEU 16 2.712 -11.491 -1.912 118 HD11 LEU 16 HD11 LEU 16 4.928 -9.636 -1.107 119 HD12 LEU 16 HD12 LEU 16 4.281 -10.967 -0.150 120 HD13 LEU 16 HD13 LEU 16 3.266 -9.574 -0.521 121 HD21 LEU 16 HD21 LEU 16 2.432 -9.219 -2.789 122 HD22 LEU 16 HD22 LEU 16 2.741 -10.407 -4.056 123 HD23 LEU 16 HD23 LEU 16 4.033 -9.329 -3.522 124 HA PRO 17 HA PRO 17 7.041 -15.097 -5.767 125 HB2 PRO 17 HB2 PRO 17 9.220 -13.590 -6.307 126 HB3 PRO 17 HB1 PRO 17 7.823 -13.649 -7.385 127 HG2 PRO 17 HG2 PRO 17 8.569 -11.579 -5.358 128 HG3 PRO 17 HG1 PRO 17 7.934 -11.359 -6.999 129 HD2 PRO 17 HD2 PRO 17 6.371 -11.179 -4.765 130 HD3 PRO 17 HD1 PRO 17 5.768 -11.723 -6.342 131 H GLU 18 HN GLU 18 9.175 -15.950 -5.100 132 HA GLU 18 HA GLU 18 9.384 -16.048 -2.298 133 HB2 GLU 18 HB2 GLU 18 11.464 -17.333 -2.671 134 HB3 GLU 18 HB1 GLU 18 10.115 -17.931 -3.622 135 HG2 GLU 18 HG2 GLU 18 12.129 -16.038 -4.770 136 HG3 GLU 18 HG1 GLU 18 12.405 -17.778 -4.734 137 H GLY 19 HN GLY 19 10.719 -15.085 -0.868 138 HA2 GLY 19 HA2 GLY 19 12.604 -13.659 -0.340 139 HA3 GLY 19 HA1 GLY 19 12.376 -12.878 -1.900 140 H TYR 20 HN TYR 20 9.331 -13.285 -0.941 141 HA TYR 20 HA TYR 20 9.288 -10.752 0.551 142 HB2 TYR 20 HB2 TYR 20 7.340 -11.973 -1.373 143 HB3 TYR 20 HB1 TYR 20 6.830 -10.723 -0.244 144 HD1 TYR 20 HD2 TYR 20 8.096 -8.509 -0.283 145 HD2 TYR 20 HD1 TYR 20 8.411 -11.411 -3.367 146 HE1 TYR 20 HE2 TYR 20 8.977 -6.780 -1.793 147 HE2 TYR 20 HE1 TYR 20 9.297 -9.708 -4.893 148 HH TYR 20 HH TYR 20 10.435 -6.717 -3.828 149 H ASP 21 HN ASP 21 8.251 -10.554 2.408 150 HA ASP 21 HA ASP 21 7.429 -13.010 3.757 151 HB2 ASP 21 HB2 ASP 21 9.057 -11.490 4.860 152 HB3 ASP 21 HB1 ASP 21 7.835 -10.222 4.874 153 H ARG 22 HN ARG 22 5.378 -13.436 3.071 154 HA ARG 22 HA ARG 22 3.444 -11.248 3.038 155 HB2 ARG 22 HB2 ARG 22 3.558 -12.560 0.996 156 HB3 ARG 22 HB1 ARG 22 3.268 -14.042 1.900 157 HG2 ARG 22 HG2 ARG 22 1.049 -13.362 2.446 158 HG3 ARG 22 HG1 ARG 22 1.324 -11.753 1.786 159 HD2 ARG 22 HD2 ARG 22 0.014 -13.032 0.249 160 HD3 ARG 22 HD1 ARG 22 1.609 -12.753 -0.443 161 HE ARG 22 HE ARG 22 2.165 -15.046 0.038 162 HH11 ARG 22 HH11 ARG 22 -1.225 -14.240 0.423 163 HH12 ARG 22 HH12 ARG 22 -1.770 -15.873 0.208 164 HH21 ARG 22 HH21 ARG 22 1.449 -17.188 -0.252 165 HH22 ARG 22 HH22 ARG 22 -0.247 -17.544 -0.191 166 H SER 23 HN SER 23 1.551 -11.286 4.138 167 HA SER 23 HA SER 23 1.103 -13.454 6.053 168 HB2 SER 23 HB2 SER 23 0.754 -10.486 6.573 169 HB3 SER 23 HB1 SER 23 0.345 -11.780 7.700 170 HG SER 23 HG SER 23 2.765 -12.320 7.147 171 H2 PRO 24 HT1 PRO 24 -26.602 13.903 3.863 172 H3 PRO 24 HT2 PRO 24 -26.251 13.691 2.284 173 HA PRO 24 HA PRO 24 -24.320 14.451 2.527 174 HB2 PRO 24 HB2 PRO 24 -24.940 16.926 4.001 175 HB3 PRO 24 HB1 PRO 24 -24.061 16.702 2.480 176 HG2 PRO 24 HG2 PRO 24 -26.560 17.674 2.518 177 HG3 PRO 24 HG1 PRO 24 -25.988 16.613 1.219 178 HD2 PRO 24 HD2 PRO 24 -27.709 15.956 3.584 179 HD3 PRO 24 HD1 PRO 24 -27.864 15.420 1.903 180 H HIS 25 HN HIS 25 -24.404 12.641 4.119 181 HA HIS 25 HA HIS 25 -22.999 13.378 6.488 182 HB2 HIS 25 HB2 HIS 25 -25.365 13.794 7.208 183 HB3 HIS 25 HB1 HIS 25 -25.729 12.108 6.867 184 HD1 HIS 25 HD1 HIS 25 -24.648 14.312 9.523 185 HD2 HIS 25 HD2 HIS 25 -24.171 10.284 8.604 186 HE1 HIS 25 HE1 HIS 25 -23.948 13.204 11.670 187 HE2 HIS 25 HE2 HIS 25 -23.536 10.796 11.058 188 H GLU 26 HN GLU 26 -24.928 10.915 4.877 189 HA GLU 26 HA GLU 26 -23.054 8.831 5.730 190 HB2 GLU 26 HB2 GLU 26 -25.432 8.445 6.157 191 HB3 GLU 26 HB1 GLU 26 -25.791 8.678 4.456 192 HG2 GLU 26 HG2 GLU 26 -24.473 6.685 3.917 193 HG3 GLU 26 HG1 GLU 26 -24.159 6.446 5.638 194 H GLN 27 HN GLN 27 -21.477 8.324 4.346 195 HA GLN 27 HA GLN 27 -21.629 9.193 1.596 196 HB2 GLN 27 HB2 GLN 27 -19.452 7.738 3.093 197 HB3 GLN 27 HB1 GLN 27 -19.322 8.293 1.430 198 HG2 GLN 27 HG2 GLN 27 -19.659 9.993 3.884 199 HG3 GLN 27 HG1 GLN 27 -18.222 9.847 2.875 200 HE21 GLN 27 HE21 GLN 27 -18.204 10.815 0.834 201 HE22 GLN 27 HE22 GLN 27 -19.331 12.054 0.404 202 H GLN 28 HN GLN 28 -20.439 7.486 0.083 203 HA GLN 28 HA GLN 28 -22.387 5.604 -0.602 204 HB2 GLN 28 HB2 GLN 28 -19.494 5.880 -1.398 205 HB3 GLN 28 HB1 GLN 28 -20.535 4.636 -2.073 206 HG2 GLN 28 HG2 GLN 28 -20.432 6.472 -3.596 207 HG3 GLN 28 HG1 GLN 28 -22.048 6.401 -2.901 208 HE21 GLN 28 HE21 GLN 28 -22.456 8.545 -3.383 209 HE22 GLN 28 HE22 GLN 28 -21.713 9.847 -2.520 210 H GLU 29 HN GLU 29 -22.020 3.264 -0.890 211 HA GLU 29 HA GLU 29 -20.772 2.086 1.499 212 HB2 GLU 29 HB2 GLU 29 -22.275 0.170 1.088 213 HB3 GLU 29 HB1 GLU 29 -23.162 1.671 1.311 214 HG2 GLU 29 HG2 GLU 29 -23.279 1.853 -1.191 215 HG3 GLU 29 HG1 GLU 29 -22.637 0.212 -1.260 216 H ASP 30 HN ASP 30 -20.422 2.544 -1.765 217 HA ASP 30 HA ASP 30 -19.070 0.106 -2.469 218 HB2 ASP 30 HB2 ASP 30 -18.766 2.732 -3.913 219 HB3 ASP 30 HB1 ASP 30 -18.705 1.103 -4.573 220 H VAL 31 HN VAL 31 -18.320 3.013 -0.898 221 HA VAL 31 HA VAL 31 -15.690 3.496 -1.610 222 HB VAL 31 HB VAL 31 -16.964 5.136 -0.372 223 HG11 VAL 31 HG11 VAL 31 -18.285 3.683 1.039 224 HG12 VAL 31 HG12 VAL 31 -17.436 4.879 2.019 225 HG13 VAL 31 HG13 VAL 31 -16.847 3.218 1.947 226 HG21 VAL 31 HG21 VAL 31 -14.558 4.190 1.176 227 HG22 VAL 31 HG22 VAL 31 -15.302 5.782 1.322 228 HG23 VAL 31 HG23 VAL 31 -14.558 5.290 -0.201 229 HA PRO 32 HA PRO 32 -13.717 -0.100 0.024 230 HB2 PRO 32 HB2 PRO 32 -11.160 0.781 -0.424 231 HB3 PRO 32 HB1 PRO 32 -12.187 0.052 -1.660 232 HG2 PRO 32 HG2 PRO 32 -11.570 2.920 -1.155 233 HG3 PRO 32 HG1 PRO 32 -11.791 2.070 -2.694 234 HD2 PRO 32 HD2 PRO 32 -13.699 3.651 -1.572 235 HD3 PRO 32 HD1 PRO 32 -14.083 2.268 -2.612 236 H GLU 33 HN GLU 33 -13.284 -0.573 2.051 237 HA GLU 33 HA GLU 33 -12.348 1.539 3.844 238 HB2 GLU 33 HB2 GLU 33 -14.547 0.549 4.363 239 HB3 GLU 33 HB1 GLU 33 -13.804 -1.039 4.464 240 HG2 GLU 33 HG2 GLU 33 -12.705 -0.539 6.432 241 HG3 GLU 33 HG1 GLU 33 -12.877 1.203 6.207 242 H TYR 34 HN TYR 34 -10.199 1.400 3.701 243 HA TYR 34 HA TYR 34 -8.858 -1.163 3.650 244 HB2 TYR 34 HB2 TYR 34 -7.763 1.648 3.650 245 HB3 TYR 34 HB1 TYR 34 -6.798 0.191 3.458 246 HD1 TYR 34 HD2 TYR 34 -7.382 -1.329 1.455 247 HD2 TYR 34 HD1 TYR 34 -8.645 2.719 1.792 248 HE1 TYR 34 HE2 TYR 34 -7.737 -1.245 -0.973 249 HE2 TYR 34 HE1 TYR 34 -9.001 2.817 -0.637 250 HH TYR 34 HH TYR 34 -9.073 0.064 -2.594 251 H GLU 35 HN GLU 35 -7.236 -1.776 5.117 252 HA GLU 35 HA GLU 35 -7.135 -0.305 7.654 253 HB2 GLU 35 HB2 GLU 35 -8.499 -2.441 7.825 254 HB3 GLU 35 HB1 GLU 35 -7.016 -3.319 7.461 255 HG2 GLU 35 HG2 GLU 35 -5.968 -2.376 9.455 256 HG3 GLU 35 HG1 GLU 35 -7.442 -1.483 9.812 257 H VAL 36 HN VAL 36 -5.153 0.352 8.011 258 HA VAL 36 HA VAL 36 -2.954 -0.757 6.446 259 HB VAL 36 HB VAL 36 -3.084 1.795 8.060 260 HG11 VAL 36 HG11 VAL 36 -0.808 0.957 7.867 261 HG12 VAL 36 HG12 VAL 36 -1.025 2.407 6.887 262 HG13 VAL 36 HG13 VAL 36 -0.994 0.819 6.118 263 HG21 VAL 36 HG21 VAL 36 -3.232 2.931 5.904 264 HG22 VAL 36 HG22 VAL 36 -4.594 1.839 6.147 265 HG23 VAL 36 HG23 VAL 36 -3.269 1.372 5.082 266 H LYS 37 HN LYS 37 -1.229 -1.741 7.310 267 HA LYS 37 HA LYS 37 -0.858 -1.672 10.227 268 HB2 LYS 37 HB2 LYS 37 -0.459 -4.124 8.495 269 HB3 LYS 37 HB1 LYS 37 -0.217 -4.022 10.227 270 HG2 LYS 37 HG2 LYS 37 -2.247 -5.108 10.041 271 HG3 LYS 37 HG1 LYS 37 -2.725 -3.435 10.324 272 HD2 LYS 37 HD2 LYS 37 -3.097 -3.115 7.947 273 HD3 LYS 37 HD1 LYS 37 -2.542 -4.752 7.617 274 HE2 LYS 37 HE2 LYS 37 -4.965 -3.985 9.226 275 HE3 LYS 37 HE1 LYS 37 -4.972 -4.619 7.584 276 HZ1 LYS 37 HZ1 LYS 37 -5.469 -6.338 9.176 277 HZ2 LYS 37 HZ2 LYS 37 -4.024 -6.052 10.003 278 HZ3 LYS 37 HZ3 LYS 37 -3.992 -6.664 8.428 279 H MET 38 HN MET 38 1.335 -1.748 10.863 280 HA MET 38 HA MET 38 3.239 -1.362 8.650 281 HB2 MET 38 HB2 MET 38 2.383 0.625 10.327 282 HB3 MET 38 HB1 MET 38 3.850 0.074 11.128 283 HG2 MET 38 HG2 MET 38 5.200 0.729 9.426 284 HG3 MET 38 HG1 MET 38 3.942 0.568 8.209 285 HE1 MET 38 HE1 MET 38 3.967 2.631 6.927 286 HE2 MET 38 HE2 MET 38 5.552 2.922 7.647 287 HE3 MET 38 HE3 MET 38 4.368 4.228 7.566 288 H LYS 39 HN LYS 39 5.201 -2.361 8.850 289 HA LYS 39 HA LYS 39 5.735 -3.791 11.365 290 HB2 LYS 39 HB2 LYS 39 4.517 -5.157 9.474 291 HB3 LYS 39 HB1 LYS 39 6.116 -5.210 8.752 292 HG2 LYS 39 HG2 LYS 39 5.583 -6.127 11.562 293 HG3 LYS 39 HG1 LYS 39 5.435 -7.189 10.164 294 HD2 LYS 39 HD2 LYS 39 7.761 -6.872 9.619 295 HD3 LYS 39 HD1 LYS 39 7.935 -5.670 10.900 296 HE2 LYS 39 HE2 LYS 39 8.836 -7.867 11.545 297 HE3 LYS 39 HE1 LYS 39 7.511 -7.353 12.585 298 HZ1 LYS 39 HZ1 LYS 39 6.026 -8.792 11.310 299 HZ2 LYS 39 HZ2 LYS 39 7.291 -9.669 12.002 300 HZ3 LYS 39 HZ3 LYS 39 7.322 -9.306 10.354 301 H ARG 40 HN ARG 40 7.805 -3.717 11.963 302 HA ARG 40 HA ARG 40 9.666 -2.375 10.147 303 HB2 ARG 40 HB2 ARG 40 9.584 -2.710 13.133 304 HB3 ARG 40 HB1 ARG 40 11.064 -2.229 12.319 305 HG2 ARG 40 HG2 ARG 40 9.959 -0.270 13.119 306 HG3 ARG 40 HG1 ARG 40 9.851 -0.293 11.359 307 HD2 ARG 40 HD2 ARG 40 7.564 -1.296 11.613 308 HD3 ARG 40 HD1 ARG 40 7.694 -0.984 13.345 309 HE ARG 40 HE ARG 40 8.201 1.345 11.759 310 HH11 ARG 40 HH11 ARG 40 5.663 -0.607 13.185 311 HH12 ARG 40 HH12 ARG 40 4.509 0.691 13.194 312 HH21 ARG 40 HH21 ARG 40 6.681 3.040 11.770 313 HH22 ARG 40 HH22 ARG 40 5.081 2.753 12.377 314 H PHE 41 HN PHE 41 11.437 -3.295 9.368 315 HA PHE 41 HA PHE 41 12.103 -6.002 10.312 316 HB2 PHE 41 HB2 PHE 41 12.286 -4.773 7.570 317 HB3 PHE 41 HB1 PHE 41 13.231 -6.191 8.007 318 HD1 PHE 41 HD2 PHE 41 9.745 -4.922 7.798 319 HD2 PHE 41 HD1 PHE 41 12.313 -8.312 7.909 320 HE1 PHE 41 HE2 PHE 41 7.841 -6.383 7.264 321 HE2 PHE 41 HE1 PHE 41 10.412 -9.775 7.374 322 HZ PHE 41 HZ PHE 41 8.169 -8.812 7.050 323 H LYS 42 HN LYS 42 14.400 -6.581 10.036 324 HA LYS 42 HA LYS 42 16.268 -4.351 10.153 325 HB2 LYS 42 HB2 LYS 42 17.323 -5.411 12.211 326 HB3 LYS 42 HB1 LYS 42 15.805 -4.562 12.465 327 HG2 LYS 42 HG2 LYS 42 14.627 -6.737 12.377 328 HG3 LYS 42 HG1 LYS 42 16.194 -7.538 12.263 329 HD2 LYS 42 HD2 LYS 42 16.840 -6.646 14.417 330 HD3 LYS 42 HD1 LYS 42 15.328 -5.744 14.523 331 HE2 LYS 42 HE2 LYS 42 15.598 -8.745 14.419 332 HE3 LYS 42 HE1 LYS 42 15.239 -7.791 15.855 333 HZ1 LYS 42 HZ1 LYS 42 13.529 -8.077 13.443 334 HZ2 LYS 42 HZ2 LYS 42 13.202 -7.024 14.724 335 HZ3 LYS 42 HZ3 LYS 42 13.219 -8.692 14.988 336 H GLY 43 HN GLY 43 17.873 -4.815 8.833 337 HA2 GLY 43 HA2 GLY 43 19.411 -5.993 7.601 338 HA3 GLY 43 HA1 GLY 43 19.265 -7.277 8.795 339 H ALA 44 HN ALA 44 16.796 -5.906 6.646 340 HA ALA 44 HA ALA 44 16.587 -8.543 5.354 341 HB1 ALA 44 HB1 ALA 44 14.722 -8.194 6.906 342 HB2 ALA 44 HB2 ALA 44 14.170 -8.242 5.232 343 HB3 ALA 44 HB3 ALA 44 14.310 -6.698 6.069 344 H ALA 45 HN ALA 45 15.307 -8.338 3.236 345 HA ALA 45 HA ALA 45 16.673 -6.566 1.513 346 HB1 ALA 45 HB1 ALA 45 15.786 -8.731 0.785 347 HB2 ALA 45 HB2 ALA 45 15.190 -7.415 -0.224 348 HB3 ALA 45 HB3 ALA 45 14.143 -8.128 1.002 349 H TYR 46 HN TYR 46 13.922 -6.207 3.456 350 HA TYR 46 HA TYR 46 13.405 -3.551 2.353 351 HB2 TYR 46 HB2 TYR 46 10.897 -4.182 3.052 352 HB3 TYR 46 HB1 TYR 46 11.516 -4.481 1.428 353 HD1 TYR 46 HD1 TYR 46 11.277 -6.172 4.758 354 HD2 TYR 46 HD2 TYR 46 11.238 -6.582 0.525 355 HE1 TYR 46 HE1 TYR 46 10.785 -8.568 5.001 356 HE2 TYR 46 HE2 TYR 46 10.750 -8.982 0.758 357 HH TYR 46 HH TYR 46 10.040 -10.412 3.880 358 H LYS 47 HN LYS 47 13.007 -2.026 3.894 359 HA LYS 47 HA LYS 47 13.814 -2.844 6.570 360 HB2 LYS 47 HB2 LYS 47 13.482 -0.124 5.291 361 HB3 LYS 47 HB1 LYS 47 13.920 -0.352 6.974 362 HG2 LYS 47 HG2 LYS 47 15.911 0.101 5.761 363 HG3 LYS 47 HG1 LYS 47 15.940 -1.602 6.209 364 HD2 LYS 47 HD2 LYS 47 16.700 -1.423 3.950 365 HD3 LYS 47 HD1 LYS 47 15.089 -2.139 3.921 366 HE2 LYS 47 HE2 LYS 47 14.196 0.178 3.484 367 HE3 LYS 47 HE1 LYS 47 15.867 0.693 3.254 368 HZ1 LYS 47 HZ1 LYS 47 16.051 -1.007 1.497 369 HZ2 LYS 47 HZ2 LYS 47 14.895 0.176 1.138 370 HZ3 LYS 47 HZ3 LYS 47 14.400 -1.350 1.675 371 H LEU 48 HN LEU 48 11.042 -1.814 4.829 372 HA LEU 48 HA LEU 48 9.461 -1.956 7.292 373 HB2 LEU 48 HB2 LEU 48 10.131 0.456 6.223 374 HB3 LEU 48 HB1 LEU 48 8.631 0.133 5.378 375 HG LEU 48 HG LEU 48 8.277 1.504 7.378 376 HD11 LEU 48 HD11 LEU 48 6.579 0.042 8.495 377 HD12 LEU 48 HD12 LEU 48 7.116 -1.262 7.442 378 HD13 LEU 48 HD13 LEU 48 6.416 0.199 6.751 379 HD21 LEU 48 HD21 LEU 48 8.578 0.552 9.599 380 HD22 LEU 48 HD22 LEU 48 10.113 0.674 8.737 381 HD23 LEU 48 HD23 LEU 48 9.306 -0.886 8.889 382 H ARG 49 HN ARG 49 7.534 -2.939 7.056 383 HA ARG 49 HA ARG 49 6.575 -3.486 4.320 384 HB2 ARG 49 HB2 ARG 49 7.456 -5.512 5.497 385 HB3 ARG 49 HB1 ARG 49 6.235 -5.268 6.738 386 HG2 ARG 49 HG2 ARG 49 4.516 -5.435 4.896 387 HG3 ARG 49 HG1 ARG 49 5.827 -5.992 3.855 388 HD2 ARG 49 HD2 ARG 49 4.820 -7.949 4.675 389 HD3 ARG 49 HD1 ARG 49 6.284 -7.749 5.635 390 HE ARG 49 HE ARG 49 4.360 -6.507 7.108 391 HH11 ARG 49 HH11 ARG 49 4.739 -9.717 5.760 392 HH12 ARG 49 HH12 ARG 49 3.722 -10.471 6.951 393 HH21 ARG 49 HH21 ARG 49 3.017 -7.515 8.679 394 HH22 ARG 49 HH22 ARG 49 2.765 -9.230 8.606 395 H ILE 50 HN ILE 50 4.692 -2.522 3.931 396 HA ILE 50 HA ILE 50 2.932 -1.914 6.232 397 HB ILE 50 HB ILE 50 2.969 -0.414 3.597 398 HG12 ILE 50 HG12 ILE 50 3.923 1.484 4.965 399 HG13 ILE 50 HG11 ILE 50 4.248 0.320 6.239 400 HG21 ILE 50 HG21 ILE 50 1.588 1.202 4.766 401 HG22 ILE 50 HG22 ILE 50 1.675 0.233 6.235 402 HG23 ILE 50 HG23 ILE 50 0.846 -0.398 4.811 403 HD11 ILE 50 HD11 ILE 50 5.392 0.148 3.466 404 HD12 ILE 50 HD12 ILE 50 5.826 -0.825 4.878 405 HD13 ILE 50 HD13 ILE 50 6.202 0.899 4.842 406 H LEU 51 HN LEU 51 0.988 -2.784 6.235 407 HA LEU 51 HA LEU 51 0.120 -4.246 3.829 408 HB2 LEU 51 HB2 LEU 51 0.101 -4.888 6.709 409 HB3 LEU 51 HB1 LEU 51 -1.367 -5.301 5.850 410 HG LEU 51 HG LEU 51 0.231 -7.182 6.041 411 HD11 LEU 51 HD11 LEU 51 -0.283 -6.226 3.232 412 HD12 LEU 51 HD12 LEU 51 -1.403 -7.134 4.245 413 HD13 LEU 51 HD13 LEU 51 0.101 -7.882 3.706 414 HD21 LEU 51 HD21 LEU 51 2.316 -5.937 5.906 415 HD22 LEU 51 HD22 LEU 51 1.958 -5.495 4.237 416 HD23 LEU 51 HD23 LEU 51 2.248 -7.183 4.660 417 H ILE 52 HN ILE 52 -1.511 -3.297 2.807 418 HA ILE 52 HA ILE 52 -3.569 -1.960 4.445 419 HB ILE 52 HB ILE 52 -2.834 -1.154 1.624 420 HG12 ILE 52 HG12 ILE 52 -2.129 1.012 3.016 421 HG13 ILE 52 HG11 ILE 52 -1.807 -0.199 4.256 422 HG21 ILE 52 HG21 ILE 52 -4.593 0.150 3.693 423 HG22 ILE 52 HG22 ILE 52 -5.137 -0.704 2.249 424 HG23 ILE 52 HG23 ILE 52 -4.229 0.800 2.093 425 HD11 ILE 52 HD11 ILE 52 -0.640 -0.199 1.482 426 HD12 ILE 52 HD12 ILE 52 -0.277 -1.344 2.775 427 HD13 ILE 52 HD13 ILE 52 0.180 0.352 2.942 428 H GLU 53 HN GLU 53 -5.218 -3.422 4.458 429 HA GLU 53 HA GLU 53 -5.804 -4.715 1.885 430 HB2 GLU 53 HB2 GLU 53 -6.804 -6.535 3.064 431 HB3 GLU 53 HB1 GLU 53 -5.223 -6.235 3.765 432 HG2 GLU 53 HG2 GLU 53 -6.394 -4.908 5.544 433 HG3 GLU 53 HG1 GLU 53 -7.907 -5.544 4.905 434 H ASN 54 HN ASN 54 -7.914 -4.898 1.199 435 HA ASN 54 HA ASN 54 -9.587 -2.655 2.041 436 HB2 ASN 54 HB2 ASN 54 -8.864 -3.138 -0.400 437 HB3 ASN 54 HB1 ASN 54 -10.051 -4.432 -0.337 438 HD21 ASN 54 HD21 ASN 54 -11.888 -2.890 1.371 439 HD22 ASN 54 HD22 ASN 54 -12.607 -1.725 0.321 440 H LYS 55 HN LYS 55 -11.059 -3.143 3.537 441 HA LYS 55 HA LYS 55 -12.649 -5.566 3.118 442 HB2 LYS 55 HB2 LYS 55 -12.757 -5.693 5.685 443 HB3 LYS 55 HB1 LYS 55 -11.299 -6.263 4.885 444 HG2 LYS 55 HG2 LYS 55 -10.211 -4.103 5.392 445 HG3 LYS 55 HG1 LYS 55 -11.664 -3.609 6.267 446 HD2 LYS 55 HD2 LYS 55 -9.878 -5.954 6.924 447 HD3 LYS 55 HD1 LYS 55 -9.991 -4.438 7.820 448 HE2 LYS 55 HE2 LYS 55 -12.333 -4.926 8.338 449 HE3 LYS 55 HE1 LYS 55 -12.215 -6.438 7.445 450 HZ1 LYS 55 HZ1 LYS 55 -10.490 -7.146 9.017 451 HZ2 LYS 55 HZ2 LYS 55 -11.970 -6.853 9.777 452 HZ3 LYS 55 HZ3 LYS 55 -10.721 -5.724 9.904 453 H ALA 56 HN ALA 56 -14.349 -4.500 2.274 454 HA ALA 56 HA ALA 56 -15.861 -2.784 4.110 455 HB1 ALA 56 HB1 ALA 56 -14.850 -1.213 2.620 456 HB2 ALA 56 HB2 ALA 56 -16.532 -1.393 2.115 457 HB3 ALA 56 HB3 ALA 56 -15.250 -2.199 1.214 458 HA PRO 57 HA PRO 57 -19.385 -5.266 3.122 459 HB2 PRO 57 HB2 PRO 57 -21.248 -3.391 2.265 460 HB3 PRO 57 HB1 PRO 57 -20.947 -3.833 3.947 461 HG2 PRO 57 HG2 PRO 57 -19.925 -1.502 2.387 462 HG3 PRO 57 HG1 PRO 57 -20.452 -1.578 4.080 463 HD2 PRO 57 HD2 PRO 57 -17.858 -1.516 3.449 464 HD3 PRO 57 HD1 PRO 57 -18.448 -2.515 4.783 465 H ASN 58 HN ASN 58 -18.866 -2.674 0.785 466 HA ASN 58 HA ASN 58 -19.140 -4.619 -1.398 467 HB2 ASN 58 HB2 ASN 58 -20.496 -1.910 -1.333 468 HB3 ASN 58 HB1 ASN 58 -20.483 -3.011 -2.706 469 HD21 ASN 58 HD21 ASN 58 -21.676 -2.462 0.516 470 HD22 ASN 58 HD22 ASN 58 -22.962 -3.617 0.453 471 H SER 59 HN SER 59 -16.735 -4.232 -0.925 472 HA SER 59 HA SER 59 -15.543 -1.749 -1.503 473 HB2 SER 59 HB2 SER 59 -14.128 -4.366 -1.927 474 HB3 SER 59 HB1 SER 59 -13.486 -2.849 -1.301 475 HG SER 59 HG SER 59 -14.184 -4.834 0.128 476 H LYS 60 HN LYS 60 -15.740 -0.765 -3.352 477 HA LYS 60 HA LYS 60 -14.814 -2.166 -5.745 478 HB2 LYS 60 HB2 LYS 60 -17.354 -0.591 -5.458 479 HB3 LYS 60 HB1 LYS 60 -16.578 -0.794 -7.027 480 HG2 LYS 60 HG2 LYS 60 -16.716 -3.276 -6.643 481 HG3 LYS 60 HG1 LYS 60 -17.717 -2.926 -5.235 482 HD2 LYS 60 HD2 LYS 60 -18.348 -2.087 -8.067 483 HD3 LYS 60 HD1 LYS 60 -19.037 -3.488 -7.250 484 HE2 LYS 60 HE2 LYS 60 -20.684 -1.899 -6.956 485 HE3 LYS 60 HE1 LYS 60 -19.771 -1.758 -5.457 486 HZ1 LYS 60 HZ1 LYS 60 -19.604 0.027 -7.821 487 HZ2 LYS 60 HZ2 LYS 60 -18.568 0.125 -6.493 488 HZ3 LYS 60 HZ3 LYS 60 -20.226 0.412 -6.292 489 HA PRO 61 HA PRO 61 -12.593 1.811 -4.896 490 HB2 PRO 61 HB2 PRO 61 -10.195 0.867 -5.834 491 HB3 PRO 61 HB1 PRO 61 -10.721 0.723 -4.154 492 HG2 PRO 61 HG2 PRO 61 -10.814 -1.300 -6.352 493 HG3 PRO 61 HG1 PRO 61 -10.392 -1.517 -4.644 494 HD2 PRO 61 HD2 PRO 61 -12.804 -2.208 -5.625 495 HD3 PRO 61 HD1 PRO 61 -12.601 -1.583 -3.975 496 H ASP 62 HN ASP 62 -11.922 3.360 -6.331 497 HA ASP 62 HA ASP 62 -12.919 3.102 -8.997 498 HB2 ASP 62 HB2 ASP 62 -12.293 5.430 -9.259 499 HB3 ASP 62 HB1 ASP 62 -13.103 5.201 -7.717 500 H ARG 63 HN ARG 63 -9.734 3.265 -7.529 501 HA ARG 63 HA ARG 63 -8.549 1.767 -9.641 502 HB2 ARG 63 HB2 ARG 63 -7.105 3.462 -10.570 503 HB3 ARG 63 HB1 ARG 63 -8.767 4.028 -10.702 504 HG2 ARG 63 HG2 ARG 63 -8.267 5.181 -8.427 505 HG3 ARG 63 HG1 ARG 63 -6.584 4.976 -8.909 506 HD2 ARG 63 HD2 ARG 63 -7.158 6.111 -11.059 507 HD3 ARG 63 HD1 ARG 63 -8.752 6.448 -10.378 508 HE ARG 63 HE ARG 63 -6.465 7.339 -8.817 509 HH11 ARG 63 HH11 ARG 63 -8.997 8.180 -11.082 510 HH12 ARG 63 HH12 ARG 63 -8.863 9.885 -10.789 511 HH21 ARG 63 HH21 ARG 63 -6.288 9.584 -8.439 512 HH22 ARG 63 HH22 ARG 63 -7.331 10.681 -9.291 513 H PHE 64 HN PHE 64 -6.174 1.537 -9.292 514 HA PHE 64 HA PHE 64 -5.292 2.446 -6.636 515 HB2 PHE 64 HB2 PHE 64 -4.716 -0.150 -8.053 516 HB3 PHE 64 HB1 PHE 64 -3.629 0.484 -6.824 517 HD1 PHE 64 HD1 PHE 64 -4.324 0.653 -4.515 518 HD2 PHE 64 HD2 PHE 64 -6.853 -1.081 -7.462 519 HE1 PHE 64 HE1 PHE 64 -5.678 -0.371 -2.738 520 HE2 PHE 64 HE2 PHE 64 -8.222 -2.106 -5.691 521 HZ PHE 64 HZ PHE 64 -7.635 -1.751 -3.325 522 H SER 65 HN SER 65 -4.014 4.129 -6.974 523 HA SER 65 HA SER 65 -1.886 3.859 -8.968 524 HB2 SER 65 HB2 SER 65 -3.540 6.375 -8.664 525 HB3 SER 65 HB1 SER 65 -2.251 6.088 -9.832 526 HG SER 65 HG SER 65 -3.783 4.178 -10.379 527 HA PRO 66 HA PRO 66 -0.301 5.392 -4.943 528 HB2 PRO 66 HB2 PRO 66 1.707 3.620 -4.685 529 HB3 PRO 66 HB1 PRO 66 0.045 3.228 -4.226 530 HG2 PRO 66 HG2 PRO 66 1.563 2.466 -6.677 531 HG3 PRO 66 HG1 PRO 66 0.412 1.516 -5.726 532 HD2 PRO 66 HD2 PRO 66 -0.186 2.808 -8.090 533 HD3 PRO 66 HD1 PRO 66 -1.380 2.346 -6.862 534 H SER 67 HN SER 67 1.528 6.626 -4.554 535 HA SER 67 HA SER 67 3.633 6.772 -6.525 536 HB2 SER 67 HB2 SER 67 1.950 9.244 -6.086 537 HB3 SER 67 HB1 SER 67 3.281 9.028 -7.222 538 HG SER 67 HG SER 67 1.456 7.141 -7.682 539 H TYR 68 HN TYR 68 5.417 8.035 -5.837 540 HA TYR 68 HA TYR 68 5.383 8.527 -2.935 541 HB2 TYR 68 HB2 TYR 68 6.745 6.594 -3.453 542 HB3 TYR 68 HB1 TYR 68 7.619 7.494 -4.684 543 HD1 TYR 68 HD2 TYR 68 6.829 7.760 -1.030 544 HD2 TYR 68 HD1 TYR 68 9.694 8.297 -4.130 545 HE1 TYR 68 HE2 TYR 68 8.498 8.429 0.640 546 HE2 TYR 68 HE1 TYR 68 11.368 8.972 -2.462 547 HH TYR 68 HH TYR 68 11.561 9.770 -0.261 548 H ASN 69 HN ASN 69 5.713 10.517 -2.348 549 HA ASN 69 HA ASN 69 7.155 12.317 -4.169 550 HB2 ASN 69 HB2 ASN 69 6.207 14.105 -2.542 551 HB3 ASN 69 HB1 ASN 69 5.136 13.371 -3.728 552 HD21 ASN 69 HD21 ASN 69 5.926 13.678 -0.398 553 HD22 ASN 69 HD22 ASN 69 4.515 12.912 0.230 554 H PHE 70 HN PHE 70 9.200 12.607 -3.760 555 HA PHE 70 HA PHE 70 10.498 11.623 -1.453 556 HB2 PHE 70 HB2 PHE 70 11.470 13.528 -3.589 557 HB3 PHE 70 HB1 PHE 70 12.502 12.811 -2.362 558 HD1 PHE 70 HD2 PHE 70 10.426 12.096 -5.321 559 HD2 PHE 70 HD1 PHE 70 13.325 10.610 -2.585 560 HE1 PHE 70 HE2 PHE 70 10.829 10.172 -6.795 561 HE2 PHE 70 HE1 PHE 70 13.736 8.686 -4.059 562 HZ PHE 70 HZ PHE 70 12.486 8.462 -6.167 563 H ALA 71 HN ALA 71 9.294 14.747 -2.360 564 HA ALA 71 HA ALA 71 10.668 16.449 -0.676 565 HB1 ALA 71 HB1 ALA 71 8.768 17.953 -0.912 566 HB2 ALA 71 HB2 ALA 71 7.773 16.618 -1.497 567 HB3 ALA 71 HB3 ALA 71 9.150 17.176 -2.448 568 H GLU 72 HN GLU 72 7.763 14.546 -0.001 569 HA GLU 72 HA GLU 72 7.949 15.384 2.814 570 HB2 GLU 72 HB2 GLU 72 5.545 13.996 1.718 571 HB3 GLU 72 HB1 GLU 72 5.656 15.168 3.023 572 HG2 GLU 72 HG2 GLU 72 6.055 16.946 1.391 573 HG3 GLU 72 HG1 GLU 72 5.925 15.764 0.088 574 H ASN 73 HN ASN 73 8.938 13.048 0.889 575 HA ASN 73 HA ASN 73 9.351 10.824 0.917 576 HB2 ASN 73 HB2 ASN 73 10.249 9.924 3.071 577 HB3 ASN 73 HB1 ASN 73 10.988 11.437 2.569 578 HD21 ASN 73 HD21 ASN 73 8.794 9.931 4.823 579 HD22 ASN 73 HD22 ASN 73 8.778 11.222 5.973 580 H ILE 74 HN ILE 74 6.721 11.204 0.723 581 HA ILE 74 HA ILE 74 5.588 9.143 2.495 582 HB ILE 74 HB ILE 74 4.317 11.653 1.422 583 HG12 ILE 74 HG12 ILE 74 4.383 10.652 4.255 584 HG13 ILE 74 HG11 ILE 74 5.734 11.550 3.575 585 HG21 ILE 74 HG21 ILE 74 2.222 10.884 2.465 586 HG22 ILE 74 HG22 ILE 74 2.970 9.317 2.771 587 HG23 ILE 74 HG23 ILE 74 2.715 9.866 1.112 588 HD11 ILE 74 HD11 ILE 74 2.904 12.526 3.831 589 HD12 ILE 74 HD12 ILE 74 4.249 13.422 3.120 590 HD13 ILE 74 HD13 ILE 74 4.280 12.999 4.832 591 H LEU 75 HN LEU 75 4.617 7.469 1.591 592 HA LEU 75 HA LEU 75 4.311 7.405 -1.327 593 HB2 LEU 75 HB2 LEU 75 5.713 5.653 -0.256 594 HB3 LEU 75 HB1 LEU 75 4.340 5.157 0.707 595 HG LEU 75 HG LEU 75 4.928 3.699 -1.280 596 HD11 LEU 75 HD11 LEU 75 2.141 4.828 -1.090 597 HD12 LEU 75 HD12 LEU 75 2.797 3.460 -0.190 598 HD13 LEU 75 HD13 LEU 75 2.578 3.341 -1.937 599 HD21 LEU 75 HD21 LEU 75 5.419 5.386 -2.906 600 HD22 LEU 75 HD22 LEU 75 3.796 6.055 -2.772 601 HD23 LEU 75 HD23 LEU 75 4.034 4.448 -3.461 602 H TYR 76 HN TYR 76 2.310 8.067 -1.886 603 HA TYR 76 HA TYR 76 0.099 7.503 -0.072 604 HB2 TYR 76 HB2 TYR 76 -0.786 9.428 -0.820 605 HB3 TYR 76 HB1 TYR 76 0.743 9.702 -1.642 606 HD1 TYR 76 HD2 TYR 76 0.956 9.255 -4.031 607 HD2 TYR 76 HD1 TYR 76 -2.754 8.819 -2.011 608 HE1 TYR 76 HE2 TYR 76 -0.207 9.247 -6.197 609 HE2 TYR 76 HE1 TYR 76 -3.937 8.814 -4.174 610 HH TYR 76 HH TYR 76 -2.329 8.417 -7.132 611 H ILE 77 HN ILE 77 -1.634 6.219 -0.603 612 HA ILE 77 HA ILE 77 -1.111 4.295 -2.731 613 HB ILE 77 HB ILE 77 -3.143 4.286 -0.492 614 HG12 ILE 77 HG12 ILE 77 -0.823 3.894 0.225 615 HG13 ILE 77 HG11 ILE 77 -1.803 2.443 0.406 616 HG21 ILE 77 HG21 ILE 77 -3.671 1.996 -1.188 617 HG22 ILE 77 HG22 ILE 77 -2.611 2.183 -2.586 618 HG23 ILE 77 HG23 ILE 77 -4.063 3.174 -2.441 619 HD11 ILE 77 HD11 ILE 77 -0.851 1.571 -1.683 620 HD12 ILE 77 HD12 ILE 77 0.375 1.883 -0.452 621 HD13 ILE 77 HD13 ILE 77 0.170 3.007 -1.796 622 H ASN 78 HN ASN 78 -3.911 6.103 -1.522 623 HA ASN 78 HA ASN 78 -4.782 6.674 -4.231 624 HB2 ASN 78 HB2 ASN 78 -6.240 4.828 -2.370 625 HB3 ASN 78 HB1 ASN 78 -7.168 5.880 -3.431 626 HD21 ASN 78 HD21 ASN 78 -6.971 2.975 -3.384 627 HD22 ASN 78 HD22 ASN 78 -6.445 2.514 -4.963 628 H GLY 79 HN GLY 79 -7.057 7.896 -3.941 629 HA2 GLY 79 HA2 GLY 79 -6.517 10.148 -2.279 630 HA3 GLY 79 HA1 GLY 79 -7.994 9.865 -3.191 631 H LYS 80 HN LYS 80 -7.345 7.223 -1.283 632 HA LYS 80 HA LYS 80 -9.382 8.014 0.647 633 HB2 LYS 80 HB2 LYS 80 -8.105 5.293 0.414 634 HB3 LYS 80 HB1 LYS 80 -9.655 5.704 1.130 635 HG2 LYS 80 HG2 LYS 80 -8.946 5.706 -1.792 636 HG3 LYS 80 HG1 LYS 80 -10.019 4.586 -0.954 637 HD2 LYS 80 HD2 LYS 80 -10.477 7.541 -1.341 638 HD3 LYS 80 HD1 LYS 80 -11.292 6.242 -2.209 639 HE2 LYS 80 HE2 LYS 80 -12.277 5.453 -0.125 640 HE3 LYS 80 HE1 LYS 80 -11.432 6.719 0.766 641 HZ1 LYS 80 HZ1 LYS 80 -13.547 7.092 -1.281 642 HZ2 LYS 80 HZ2 LYS 80 -12.651 8.356 -0.607 643 HZ3 LYS 80 HZ3 LYS 80 -13.661 7.423 0.375 644 H LEU 81 HN LEU 81 -6.068 6.813 0.462 645 HA LEU 81 HA LEU 81 -5.415 8.021 2.962 646 HB2 LEU 81 HB2 LEU 81 -4.557 5.865 3.970 647 HB3 LEU 81 HB1 LEU 81 -6.285 6.131 4.005 648 HG LEU 81 HG LEU 81 -6.493 4.609 2.023 649 HD11 LEU 81 HD11 LEU 81 -4.671 3.150 1.448 650 HD12 LEU 81 HD12 LEU 81 -3.633 3.910 2.655 651 HD13 LEU 81 HD13 LEU 81 -4.156 4.826 1.243 652 HD21 LEU 81 HD21 LEU 81 -6.996 3.796 4.211 653 HD22 LEU 81 HD22 LEU 81 -5.286 3.551 4.563 654 HD23 LEU 81 HD23 LEU 81 -6.086 2.554 3.347 655 H SER 82 HN SER 82 -3.203 8.022 3.453 656 HA SER 82 HA SER 82 -1.442 7.169 1.271 657 HB2 SER 82 HB2 SER 82 -1.839 9.552 0.992 658 HB3 SER 82 HB1 SER 82 -1.443 9.842 2.676 659 HG SER 82 HG SER 82 0.467 10.194 1.868 660 H ILE 83 HN ILE 83 0.733 6.702 1.927 661 HA ILE 83 HA ILE 83 0.858 5.967 4.780 662 HB ILE 83 HB ILE 83 2.167 4.592 2.429 663 HG12 ILE 83 HG12 ILE 83 -0.240 4.223 2.425 664 HG13 ILE 83 HG11 ILE 83 0.590 2.749 2.907 665 HG21 ILE 83 HG21 ILE 83 2.087 3.814 5.341 666 HG22 ILE 83 HG22 ILE 83 3.494 4.411 4.460 667 HG23 ILE 83 HG23 ILE 83 2.780 2.856 4.033 668 HD11 ILE 83 HD11 ILE 83 -0.814 4.685 4.732 669 HD12 ILE 83 HD12 ILE 83 0.068 3.251 5.253 670 HD13 ILE 83 HD13 ILE 83 -1.377 3.082 4.257 671 HA PRO 84 HA PRO 84 4.434 8.729 4.511 672 HB2 PRO 84 HB2 PRO 84 4.518 9.350 7.130 673 HB3 PRO 84 HB1 PRO 84 3.371 10.105 6.018 674 HG2 PRO 84 HG2 PRO 84 2.932 7.927 8.008 675 HG3 PRO 84 HG1 PRO 84 1.860 9.261 7.548 676 HD2 PRO 84 HD2 PRO 84 1.639 6.659 6.631 677 HD3 PRO 84 HD1 PRO 84 0.963 8.084 5.817 678 H LEU 85 HN LEU 85 6.529 8.210 4.716 679 HA LEU 85 HA LEU 85 7.181 5.758 6.192 680 HB2 LEU 85 HB2 LEU 85 8.635 7.202 3.973 681 HB3 LEU 85 HB1 LEU 85 9.304 5.832 4.831 682 HG LEU 85 HG LEU 85 8.484 4.919 2.850 683 HD11 LEU 85 HD11 LEU 85 6.607 3.509 3.480 684 HD12 LEU 85 HD12 LEU 85 6.267 4.555 4.857 685 HD13 LEU 85 HD13 LEU 85 7.773 3.640 4.796 686 HD21 LEU 85 HD21 LEU 85 7.252 6.847 2.052 687 HD22 LEU 85 HD22 LEU 85 5.969 6.533 3.221 688 HD23 LEU 85 HD23 LEU 85 6.275 5.386 1.917 689 HA PRO 86 HA PRO 86 9.637 7.917 9.184 690 HB2 PRO 86 HB2 PRO 86 11.783 6.233 9.426 691 HB3 PRO 86 HB1 PRO 86 10.216 5.939 10.183 692 HG2 PRO 86 HG2 PRO 86 11.340 4.816 7.654 693 HG3 PRO 86 HG1 PRO 86 10.413 3.998 8.923 694 HD2 PRO 86 HD2 PRO 86 9.290 4.765 6.600 695 HD3 PRO 86 HD1 PRO 86 8.391 4.800 8.132 696 H ARG 87 HN ARG 87 11.254 9.410 9.216 697 HA ARG 87 HA ARG 87 12.373 10.049 6.633 698 HB2 ARG 87 HB2 ARG 87 12.527 11.486 9.287 699 HB3 ARG 87 HB1 ARG 87 13.243 12.093 7.802 700 HG2 ARG 87 HG2 ARG 87 11.204 13.229 8.041 701 HG3 ARG 87 HG1 ARG 87 10.919 12.008 6.802 702 HD2 ARG 87 HD2 ARG 87 9.923 10.547 8.523 703 HD3 ARG 87 HD1 ARG 87 10.145 11.831 9.709 704 HE ARG 87 HE ARG 87 8.691 12.994 7.710 705 HH11 ARG 87 HH11 ARG 87 8.310 10.169 9.739 706 HH12 ARG 87 HH12 ARG 87 6.577 10.240 9.736 707 HH21 ARG 87 HH21 ARG 87 6.410 13.092 7.702 708 HH22 ARG 87 HH22 ARG 87 5.492 11.914 8.583 709 H ASP 88 HN ASP 88 13.328 7.992 8.930 710 HA ASP 88 HA ASP 88 16.158 8.642 8.939 711 HB2 ASP 88 HB2 ASP 88 15.059 7.647 10.940 712 HB3 ASP 88 HB1 ASP 88 14.727 6.193 10.007 713 H ILE 89 HN ILE 89 13.945 6.914 7.041 714 HA ILE 89 HA ILE 89 16.008 5.141 5.951 715 HB ILE 89 HB ILE 89 12.997 4.993 5.726 716 HG12 ILE 89 HG12 ILE 89 14.979 3.308 7.277 717 HG13 ILE 89 HG11 ILE 89 13.838 4.456 7.966 718 HG21 ILE 89 HG21 ILE 89 14.086 4.099 3.729 719 HG22 ILE 89 HG22 ILE 89 13.346 2.812 4.681 720 HG23 ILE 89 HG23 ILE 89 15.092 3.057 4.735 721 HD11 ILE 89 HD11 ILE 89 11.986 3.078 7.150 722 HD12 ILE 89 HD12 ILE 89 13.045 2.196 8.247 723 HD13 ILE 89 HD13 ILE 89 13.147 1.918 6.508 724 H VAL 90 HN VAL 90 16.661 5.341 3.906 725 HA VAL 90 HA VAL 90 15.696 7.577 2.343 726 HB VAL 90 HB VAL 90 17.833 5.538 1.680 727 HG11 VAL 90 HG11 VAL 90 17.143 8.166 0.371 728 HG12 VAL 90 HG12 VAL 90 16.895 6.561 -0.315 729 HG13 VAL 90 HG13 VAL 90 18.532 7.155 -0.031 730 HG21 VAL 90 HG21 VAL 90 18.071 8.346 2.761 731 HG22 VAL 90 HG22 VAL 90 19.417 7.324 2.257 732 HG23 VAL 90 HG23 VAL 90 18.425 6.856 3.639 733 H VAL 91 HN VAL 91 13.926 7.322 1.172 734 HA VAL 91 HA VAL 91 13.337 4.657 0.069 735 HB VAL 91 HB VAL 91 11.366 6.854 0.729 736 HG11 VAL 91 HG11 VAL 91 9.670 5.132 0.387 737 HG12 VAL 91 HG12 VAL 91 10.930 3.989 -0.079 738 HG13 VAL 91 HG13 VAL 91 10.620 5.411 -1.073 739 HG21 VAL 91 HG21 VAL 91 11.990 4.322 2.242 740 HG22 VAL 91 HG22 VAL 91 10.676 5.441 2.609 741 HG23 VAL 91 HG23 VAL 91 12.353 5.966 2.767 742 H ASN 92 HN ASN 92 13.102 4.432 -2.022 743 HA ASN 92 HA ASN 92 12.596 6.743 -3.730 744 HB2 ASN 92 HB2 ASN 92 14.412 5.345 -5.238 745 HB3 ASN 92 HB1 ASN 92 14.765 6.816 -4.343 746 HD21 ASN 92 HD21 ASN 92 14.754 3.307 -4.103 747 HD22 ASN 92 HD22 ASN 92 16.094 3.202 -3.014 748 H ALA 93 HN ALA 93 12.031 6.067 -5.952 749 HA ALA 93 HA ALA 93 9.941 4.178 -5.855 750 HB1 ALA 93 HB1 ALA 93 11.259 5.449 -8.248 751 HB2 ALA 93 HB2 ALA 93 9.900 6.104 -7.335 752 HB3 ALA 93 HB3 ALA 93 9.708 4.611 -8.251 753 H ALA 94 HN ALA 94 13.263 3.823 -6.460 754 HA ALA 94 HA ALA 94 13.033 1.388 -8.012 755 HB1 ALA 94 HB1 ALA 94 14.883 2.938 -8.413 756 HB2 ALA 94 HB2 ALA 94 15.471 1.350 -7.918 757 HB3 ALA 94 HB3 ALA 94 15.453 2.683 -6.764 758 H ASP 95 HN ASP 95 12.852 2.220 -4.778 759 HA ASP 95 HA ASP 95 13.789 -0.424 -3.869 760 HB2 ASP 95 HB2 ASP 95 14.860 1.741 -2.990 761 HB3 ASP 95 HB1 ASP 95 13.349 1.997 -2.129 762 H ILE 96 HN ILE 96 11.160 1.767 -4.081 763 HA ILE 96 HA ILE 96 9.410 0.582 -2.181 764 HB ILE 96 HB ILE 96 8.947 2.355 -4.575 765 HG12 ILE 96 HG12 ILE 96 8.739 3.035 -1.649 766 HG13 ILE 96 HG11 ILE 96 10.238 3.199 -2.562 767 HG21 ILE 96 HG21 ILE 96 6.956 1.637 -2.420 768 HG22 ILE 96 HG22 ILE 96 6.929 1.022 -4.070 769 HG23 ILE 96 HG23 ILE 96 6.694 2.744 -3.771 770 HD11 ILE 96 HD11 ILE 96 8.971 5.300 -2.365 771 HD12 ILE 96 HD12 ILE 96 7.651 4.555 -3.269 772 HD13 ILE 96 HD13 ILE 96 9.224 4.789 -4.033 773 H LYS 97 HN LYS 97 8.665 -1.425 -2.338 774 HA LYS 97 HA LYS 97 8.055 -2.520 -5.006 775 HB2 LYS 97 HB2 LYS 97 8.381 -4.114 -2.469 776 HB3 LYS 97 HB1 LYS 97 8.437 -4.692 -4.123 777 HG2 LYS 97 HG2 LYS 97 10.499 -2.979 -2.753 778 HG3 LYS 97 HG1 LYS 97 10.651 -4.685 -3.170 779 HD2 LYS 97 HD2 LYS 97 10.297 -2.431 -5.157 780 HD3 LYS 97 HD1 LYS 97 11.833 -3.200 -4.760 781 HE2 LYS 97 HE2 LYS 97 10.980 -5.340 -5.578 782 HE3 LYS 97 HE1 LYS 97 9.432 -4.585 -5.956 783 HZ1 LYS 97 HZ1 LYS 97 12.038 -3.854 -7.182 784 HZ2 LYS 97 HZ2 LYS 97 10.539 -3.177 -7.565 785 HZ3 LYS 97 HZ3 LYS 97 10.846 -4.801 -7.915 786 H ILE 98 HN ILE 98 5.937 -2.169 -5.431 787 HA ILE 98 HA ILE 98 3.995 -2.507 -3.244 788 HB ILE 98 HB ILE 98 3.682 -0.971 -5.828 789 HG12 ILE 98 HG12 ILE 98 4.055 -0.016 -2.983 790 HG13 ILE 98 HG11 ILE 98 5.234 0.112 -4.280 791 HG21 ILE 98 HG21 ILE 98 1.588 -0.171 -4.915 792 HG22 ILE 98 HG22 ILE 98 1.836 -1.118 -3.449 793 HG23 ILE 98 HG23 ILE 98 1.577 -1.933 -4.991 794 HD11 ILE 98 HD11 ILE 98 4.172 2.232 -3.956 795 HD12 ILE 98 HD12 ILE 98 2.576 1.501 -4.122 796 HD13 ILE 98 HD13 ILE 98 3.664 1.563 -5.506 797 H PHE 99 HN PHE 99 2.735 -4.231 -3.292 798 HA PHE 99 HA PHE 99 2.084 -5.469 -5.885 799 HB2 PHE 99 HB2 PHE 99 2.765 -6.909 -3.312 800 HB3 PHE 99 HB1 PHE 99 2.193 -7.683 -4.782 801 HD1 PHE 99 HD1 PHE 99 5.004 -5.923 -3.215 802 HD2 PHE 99 HD2 PHE 99 3.669 -8.113 -6.615 803 HE1 PHE 99 HE1 PHE 99 7.327 -6.181 -3.963 804 HE2 PHE 99 HE2 PHE 99 5.995 -8.366 -7.366 805 HZ PHE 99 HZ PHE 99 7.828 -7.397 -6.043 806 H HIS 100 HN HIS 100 -0.044 -5.365 -6.193 807 HA HIS 100 HA HIS 100 -1.824 -5.430 -3.855 808 HB2 HIS 100 HB2 HIS 100 -2.242 -3.594 -5.426 809 HB3 HIS 100 HB1 HIS 100 -2.427 -4.744 -6.745 810 HD1 HIS 100 HD1 HIS 100 -4.832 -4.975 -7.342 811 HD2 HIS 100 HD2 HIS 100 -4.291 -4.450 -3.245 812 HE1 HIS 100 HE1 HIS 100 -7.129 -5.046 -6.337 813 HE2 HIS 100 HE2 HIS 100 -6.795 -4.552 -3.894 814 H ILE 101 HN ILE 101 -2.236 -7.450 -3.271 815 HA ILE 101 HA ILE 101 -2.576 -9.529 -5.268 816 HB ILE 101 HB ILE 101 -2.670 -9.570 -2.253 817 HG12 ILE 101 HG12 ILE 101 -0.731 -10.758 -4.243 818 HG13 ILE 101 HG11 ILE 101 -0.451 -9.310 -3.280 819 HG21 ILE 101 HG21 ILE 101 -2.993 -11.894 -4.152 820 HG22 ILE 101 HG22 ILE 101 -4.249 -11.221 -3.112 821 HG23 ILE 101 HG23 ILE 101 -2.842 -12.008 -2.398 822 HD11 ILE 101 HD11 ILE 101 0.682 -11.177 -2.303 823 HD12 ILE 101 HD12 ILE 101 -0.819 -12.103 -2.254 824 HD13 ILE 101 HD13 ILE 101 -0.637 -10.665 -1.249 825 H ARG 102 HN ARG 102 -4.457 -9.779 -6.234 826 HA ARG 102 HA ARG 102 -6.841 -8.564 -5.184 827 HB2 ARG 102 HB2 ARG 102 -6.475 -10.367 -7.581 828 HB3 ARG 102 HB1 ARG 102 -7.926 -9.449 -7.205 829 HG2 ARG 102 HG2 ARG 102 -6.530 -7.370 -7.345 830 HG3 ARG 102 HG1 ARG 102 -5.227 -8.380 -7.975 831 HD2 ARG 102 HD2 ARG 102 -6.476 -7.326 -9.784 832 HD3 ARG 102 HD1 ARG 102 -6.658 -9.079 -9.825 833 HE ARG 102 HE ARG 102 -8.870 -8.790 -8.870 834 HH11 ARG 102 HH11 ARG 102 -7.344 -5.896 -10.125 835 HH12 ARG 102 HH12 ARG 102 -8.847 -5.091 -10.440 836 HH21 ARG 102 HH21 ARG 102 -10.842 -7.711 -9.237 837 HH22 ARG 102 HH22 ARG 102 -10.837 -6.119 -9.925 838 H LYS 103 HN LYS 103 -5.328 -11.602 -4.997 839 HA LYS 103 HA LYS 103 -7.433 -13.367 -4.576 840 HB2 LYS 103 HB2 LYS 103 -4.987 -13.908 -4.768 841 HB3 LYS 103 HB1 LYS 103 -4.789 -13.341 -3.117 842 HG2 LYS 103 HG2 LYS 103 -6.450 -15.083 -2.424 843 HG3 LYS 103 HG1 LYS 103 -6.348 -15.720 -4.069 844 HD2 LYS 103 HD2 LYS 103 -3.782 -15.698 -3.624 845 HD3 LYS 103 HD1 LYS 103 -4.265 -15.658 -1.926 846 HE2 LYS 103 HE2 LYS 103 -3.904 -17.938 -2.627 847 HE3 LYS 103 HE1 LYS 103 -5.615 -17.678 -2.288 848 HZ1 LYS 103 HZ1 LYS 103 -4.398 -17.614 -5.000 849 HZ2 LYS 103 HZ2 LYS 103 -6.048 -17.492 -4.633 850 HZ3 LYS 103 HZ3 LYS 103 -5.226 -18.940 -4.345 851 H GLU 104 HN GLU 104 -5.674 -11.370 -2.230 852 HA GLU 104 HA GLU 104 -7.744 -11.950 -0.235 853 HB2 GLU 104 HB2 GLU 104 -4.927 -10.906 0.078 854 HB3 GLU 104 HB1 GLU 104 -6.076 -11.042 1.402 855 HG2 GLU 104 HG2 GLU 104 -5.077 -13.327 -0.274 856 HG3 GLU 104 HG1 GLU 104 -4.491 -12.900 1.333 857 H ARG 105 HN ARG 105 -7.154 -9.771 -2.511 858 HA ARG 105 HA ARG 105 -7.403 -7.547 -2.870 859 HB2 ARG 105 HB2 ARG 105 -9.418 -7.987 -0.667 860 HB3 ARG 105 HB1 ARG 105 -9.236 -6.439 -1.480 861 HG2 ARG 105 HG2 ARG 105 -10.994 -7.447 -2.607 862 HG3 ARG 105 HG1 ARG 105 -9.604 -7.759 -3.646 863 HD2 ARG 105 HD2 ARG 105 -10.912 -9.762 -3.492 864 HD3 ARG 105 HD1 ARG 105 -9.406 -10.006 -2.610 865 HE ARG 105 HE ARG 105 -11.235 -9.134 -0.742 866 HH11 ARG 105 HH11 ARG 105 -10.982 -11.825 -2.963 867 HH12 ARG 105 HH12 ARG 105 -11.893 -12.907 -1.958 868 HH21 ARG 105 HH21 ARG 105 -12.439 -10.554 0.590 869 HH22 ARG 105 HH22 ARG 105 -12.717 -12.186 0.066 870 H THR 106 HN THR 106 -5.170 -8.167 -1.412 871 HA THR 106 HA THR 106 -5.091 -6.081 0.667 872 HB THR 106 HB THR 106 -3.537 -8.676 0.621 873 HG1 THR 106 HG1 THR 106 -6.021 -8.334 1.267 874 HG21 THR 106 HG21 THR 106 -3.689 -6.449 2.650 875 HG22 THR 106 HG22 THR 106 -2.270 -6.967 1.743 876 HG23 THR 106 HG23 THR 106 -2.973 -8.029 2.964 877 H LEU 107 HN LEU 107 -3.453 -4.646 0.608 878 HA LEU 107 HA LEU 107 -1.649 -4.812 -1.699 879 HB2 LEU 107 HB2 LEU 107 -3.148 -2.701 -0.503 880 HB3 LEU 107 HB1 LEU 107 -1.446 -2.310 -0.346 881 HG LEU 107 HG LEU 107 -2.864 -2.929 -2.939 882 HD11 LEU 107 HD11 LEU 107 -1.853 -0.327 -1.808 883 HD12 LEU 107 HD12 LEU 107 -3.543 -0.791 -1.998 884 HD13 LEU 107 HD13 LEU 107 -2.528 -0.557 -3.421 885 HD21 LEU 107 HD21 LEU 107 -0.041 -2.028 -2.395 886 HD22 LEU 107 HD22 LEU 107 -0.788 -2.162 -3.988 887 HD23 LEU 107 HD23 LEU 107 -0.535 -3.607 -3.009 888 H TYR 108 HN TYR 108 0.354 -5.456 -1.332 889 HA TYR 108 HA TYR 108 1.498 -5.159 1.353 890 HB2 TYR 108 HB2 TYR 108 2.362 -6.860 -0.995 891 HB3 TYR 108 HB1 TYR 108 3.202 -6.784 0.549 892 HD1 TYR 108 HD1 TYR 108 -0.157 -7.529 -0.880 893 HD2 TYR 108 HD2 TYR 108 2.661 -8.313 2.203 894 HE1 TYR 108 HE1 TYR 108 -1.606 -9.302 -0.021 895 HE2 TYR 108 HE2 TYR 108 1.212 -10.094 3.077 896 HH TYR 108 HH TYR 108 -1.112 -10.797 3.033 897 H ILE 109 HN ILE 109 2.892 -3.602 1.723 898 HA ILE 109 HA ILE 109 4.376 -2.421 -0.537 899 HB ILE 109 HB ILE 109 3.793 -1.166 2.145 900 HG12 ILE 109 HG12 ILE 109 1.698 -1.479 0.925 901 HG13 ILE 109 HG11 ILE 109 2.127 0.226 0.985 902 HG21 ILE 109 HG21 ILE 109 5.790 -0.304 1.048 903 HG22 ILE 109 HG22 ILE 109 4.515 0.913 1.111 904 HG23 ILE 109 HG23 ILE 109 4.845 0.059 -0.397 905 HD11 ILE 109 HD11 ILE 109 2.574 -1.595 -1.366 906 HD12 ILE 109 HD12 ILE 109 2.910 0.135 -1.300 907 HD13 ILE 109 HD13 ILE 109 1.248 -0.446 -1.194 908 H TYR 110 HN TYR 110 6.474 -2.993 -0.575 909 HA TYR 110 HA TYR 110 7.831 -3.417 2.010 910 HB2 TYR 110 HB2 TYR 110 8.465 -4.696 -0.657 911 HB3 TYR 110 HB1 TYR 110 9.389 -4.919 0.821 912 HD1 TYR 110 HD1 TYR 110 6.243 -5.691 -0.903 913 HD2 TYR 110 HD2 TYR 110 8.602 -6.379 2.567 914 HE1 TYR 110 HE1 TYR 110 4.810 -7.596 -0.310 915 HE2 TYR 110 HE2 TYR 110 7.173 -8.286 3.169 916 HH TYR 110 HH TYR 110 5.096 -9.239 2.755 917 H ILE 111 HN ILE 111 9.471 -2.105 2.451 918 HA ILE 111 HA ILE 111 10.857 -0.749 0.252 919 HB ILE 111 HB ILE 111 9.867 0.684 2.731 920 HG12 ILE 111 HG12 ILE 111 9.006 0.985 -0.158 921 HG13 ILE 111 HG11 ILE 111 8.061 0.207 1.106 922 HG21 ILE 111 HG21 ILE 111 12.019 1.523 1.967 923 HG22 ILE 111 HG22 ILE 111 10.750 2.704 1.637 924 HG23 ILE 111 HG23 ILE 111 11.388 1.705 0.331 925 HD11 ILE 111 HD11 ILE 111 7.266 2.451 0.671 926 HD12 ILE 111 HD12 ILE 111 8.866 3.104 1.028 927 HD13 ILE 111 HD13 ILE 111 7.925 2.329 2.302 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 13.571 18.927 -5.208 2 H2 GLY 1 HT2 GLY 1 12.522 18.107 -4.168 3 H3 GLY 1 HT3 GLY 1 13.172 19.595 -3.706 4 HA2 GLY 1 HA1 GLY 1 11.977 20.705 -5.484 5 HA3 GLY 1 HA2 GLY 1 11.295 19.156 -5.958 6 HA PRO 2 HA PRO 2 9.057 21.514 -2.306 7 HB2 PRO 2 HB2 PRO 2 7.085 22.731 -3.806 8 HB3 PRO 2 HB1 PRO 2 8.545 23.536 -3.225 9 HG2 PRO 2 HG2 PRO 2 7.970 22.360 -5.913 10 HG3 PRO 2 HG1 PRO 2 8.808 23.869 -5.505 11 HD2 PRO 2 HD2 PRO 2 10.164 21.676 -6.226 12 HD3 PRO 2 HD1 PRO 2 10.785 22.773 -4.976 13 H HIS 3 HN HIS 3 7.894 19.957 -5.258 14 HA HIS 3 HA HIS 3 6.087 18.344 -3.606 15 HB2 HIS 3 HB2 HIS 3 4.846 20.254 -4.734 16 HB3 HIS 3 HB1 HIS 3 5.246 19.502 -6.269 17 HD1 HIS 3 HD1 HIS 3 3.190 18.899 -3.155 18 HD2 HIS 3 HD2 HIS 3 3.596 17.431 -7.027 19 HE1 HIS 3 HE1 HIS 3 1.241 17.350 -3.501 20 HE2 HIS 3 HE2 HIS 3 1.580 16.376 -5.802 21 H MET 4 HN MET 4 8.671 17.816 -4.661 22 HA MET 4 HA MET 4 8.703 16.433 -7.090 23 HB2 MET 4 HB2 MET 4 10.759 17.080 -6.017 24 HB3 MET 4 HB1 MET 4 10.399 16.076 -4.621 25 HG2 MET 4 HG2 MET 4 12.081 15.056 -6.052 26 HG3 MET 4 HG1 MET 4 10.619 14.077 -5.974 27 HE1 MET 4 HE1 MET 4 11.958 13.454 -9.616 28 HE2 MET 4 HE2 MET 4 11.504 12.703 -8.086 29 HE3 MET 4 HE3 MET 4 12.939 13.725 -8.175 30 H SER 5 HN SER 5 7.944 14.542 -7.700 31 HA SER 5 HA SER 5 7.431 12.429 -5.807 32 HB2 SER 5 HB2 SER 5 4.979 12.327 -6.640 33 HB3 SER 5 HB1 SER 5 5.397 13.526 -5.415 34 HG SER 5 HG SER 5 5.383 15.112 -6.948 35 H VAL 6 HN VAL 6 7.250 10.439 -6.714 36 HA VAL 6 HA VAL 6 7.266 10.254 -9.655 37 HB VAL 6 HB VAL 6 8.781 8.275 -9.432 38 HG11 VAL 6 HG11 VAL 6 9.709 10.370 -10.151 39 HG12 VAL 6 HG12 VAL 6 10.848 9.585 -9.056 40 HG13 VAL 6 HG13 VAL 6 9.853 10.924 -8.484 41 HG21 VAL 6 HG21 VAL 6 10.132 8.114 -7.344 42 HG22 VAL 6 HG22 VAL 6 8.437 7.672 -7.145 43 HG23 VAL 6 HG23 VAL 6 9.008 9.246 -6.590 44 H GLN 7 HN GLN 7 6.155 8.485 -10.506 45 HA GLN 7 HA GLN 7 4.174 7.405 -8.688 46 HB2 GLN 7 HB2 GLN 7 2.967 6.672 -10.595 47 HB3 GLN 7 HB1 GLN 7 3.575 8.272 -10.973 48 HG2 GLN 7 HG2 GLN 7 4.859 5.712 -11.891 49 HG3 GLN 7 HG1 GLN 7 3.711 6.648 -12.844 50 HE21 GLN 7 HE21 GLN 7 6.931 6.461 -11.607 51 HE22 GLN 7 HE22 GLN 7 7.589 7.766 -12.534 52 H ILE 8 HN ILE 8 3.999 5.324 -8.050 53 HA ILE 8 HA ILE 8 6.239 3.580 -8.817 54 HB ILE 8 HB ILE 8 4.493 3.119 -6.418 55 HG12 ILE 8 HG12 ILE 8 5.379 5.380 -6.150 56 HG13 ILE 8 HG11 ILE 8 6.186 4.280 -5.039 57 HG21 ILE 8 HG21 ILE 8 7.329 2.331 -7.084 58 HG22 ILE 8 HG22 ILE 8 5.911 1.287 -7.185 59 HG23 ILE 8 HG23 ILE 8 6.450 1.890 -5.620 60 HD11 ILE 8 HD11 ILE 8 8.098 4.180 -6.576 61 HD12 ILE 8 HD12 ILE 8 7.769 5.812 -5.999 62 HD13 ILE 8 HD13 ILE 8 7.288 5.341 -7.628 63 HA PRO 9 HA PRO 9 3.070 1.245 -10.933 64 HB2 PRO 9 HB2 PRO 9 4.702 -0.775 -11.750 65 HB3 PRO 9 HB1 PRO 9 4.602 0.786 -12.570 66 HG2 PRO 9 HG2 PRO 9 6.638 -0.202 -10.618 67 HG3 PRO 9 HG1 PRO 9 6.873 0.750 -12.095 68 HD2 PRO 9 HD2 PRO 9 6.896 1.858 -9.622 69 HD3 PRO 9 HD1 PRO 9 6.317 2.733 -11.056 70 H VAL 10 HN VAL 10 1.683 -0.076 -10.023 71 HA VAL 10 HA VAL 10 2.603 -1.879 -7.904 72 HB VAL 10 HB VAL 10 0.909 -0.469 -7.049 73 HG11 VAL 10 HG11 VAL 10 -1.286 -0.178 -8.114 74 HG12 VAL 10 HG12 VAL 10 -0.728 -1.125 -9.492 75 HG13 VAL 10 HG13 VAL 10 0.032 0.421 -9.117 76 HG21 VAL 10 HG21 VAL 10 -0.490 -3.023 -7.827 77 HG22 VAL 10 HG22 VAL 10 -0.879 -1.978 -6.459 78 HG23 VAL 10 HG23 VAL 10 0.647 -2.860 -6.490 79 H VAL 11 HN VAL 11 2.620 -3.997 -8.213 80 HA VAL 11 HA VAL 11 1.519 -5.044 -10.712 81 HB VAL 11 HB VAL 11 3.290 -6.428 -8.686 82 HG11 VAL 11 HG11 VAL 11 3.663 -8.080 -10.418 83 HG12 VAL 11 HG12 VAL 11 2.620 -7.189 -11.526 84 HG13 VAL 11 HG13 VAL 11 1.937 -7.936 -10.082 85 HG21 VAL 11 HG21 VAL 11 5.120 -6.038 -10.269 86 HG22 VAL 11 HG22 VAL 11 4.437 -4.521 -9.682 87 HG23 VAL 11 HG23 VAL 11 4.030 -5.104 -11.295 88 H GLU 12 HN GLU 12 -0.338 -6.153 -10.738 89 HA GLU 12 HA GLU 12 -1.555 -6.890 -8.202 90 HB2 GLU 12 HB2 GLU 12 -2.644 -6.906 -11.019 91 HB3 GLU 12 HB1 GLU 12 -3.559 -7.405 -9.602 92 HG2 GLU 12 HG2 GLU 12 -3.232 -5.150 -8.648 93 HG3 GLU 12 HG1 GLU 12 -2.428 -4.671 -10.140 94 H VAL 13 HN VAL 13 -0.923 -8.732 -7.403 95 HA VAL 13 HA VAL 13 -0.810 -11.100 -9.152 96 HB VAL 13 HB VAL 13 0.965 -11.986 -7.580 97 HG11 VAL 13 HG11 VAL 13 2.799 -10.721 -8.640 98 HG12 VAL 13 HG12 VAL 13 1.614 -9.557 -9.231 99 HG13 VAL 13 HG13 VAL 13 1.560 -11.227 -9.787 100 HG21 VAL 13 HG21 VAL 13 2.248 -10.372 -6.278 101 HG22 VAL 13 HG22 VAL 13 0.571 -10.424 -5.735 102 HG23 VAL 13 HG23 VAL 13 1.129 -9.091 -6.749 103 H ASP 14 HN ASP 14 -0.771 -13.147 -7.632 104 HA ASP 14 HA ASP 14 -3.033 -12.847 -5.797 105 HB2 ASP 14 HB2 ASP 14 -1.811 -15.266 -7.132 106 HB3 ASP 14 HB1 ASP 14 -3.055 -15.382 -5.892 107 H GLU 15 HN GLU 15 0.316 -13.281 -5.864 108 HA GLU 15 HA GLU 15 0.564 -13.130 -3.059 109 HB2 GLU 15 HB2 GLU 15 1.630 -15.302 -2.643 110 HB3 GLU 15 HB1 GLU 15 -0.042 -15.489 -3.150 111 HG2 GLU 15 HG2 GLU 15 0.837 -15.908 -5.472 112 HG3 GLU 15 HG1 GLU 15 2.441 -16.012 -4.746 113 H LEU 16 HN LEU 16 2.851 -13.075 -2.408 114 HA LEU 16 HA LEU 16 4.367 -11.679 -4.394 115 HB2 LEU 16 HB2 LEU 16 5.059 -12.475 -1.566 116 HB3 LEU 16 HB1 LEU 16 6.053 -11.453 -2.580 117 HG LEU 16 HG LEU 16 4.961 -9.955 -1.200 118 HD11 LEU 16 HD11 LEU 16 3.409 -8.717 -2.584 119 HD12 LEU 16 HD12 LEU 16 3.207 -10.120 -3.631 120 HD13 LEU 16 HD13 LEU 16 4.770 -9.307 -3.538 121 HD21 LEU 16 HD21 LEU 16 2.571 -10.009 -0.686 122 HD22 LEU 16 HD22 LEU 16 3.410 -11.464 -0.155 123 HD23 LEU 16 HD23 LEU 16 2.421 -11.503 -1.612 124 HA PRO 17 HA PRO 17 6.989 -15.027 -5.688 125 HB2 PRO 17 HB2 PRO 17 9.211 -13.620 -6.376 126 HB3 PRO 17 HB1 PRO 17 7.756 -13.671 -7.375 127 HG2 PRO 17 HG2 PRO 17 8.688 -11.555 -5.492 128 HG3 PRO 17 HG1 PRO 17 7.925 -11.384 -7.082 129 HD2 PRO 17 HD2 PRO 17 6.576 -11.071 -4.736 130 HD3 PRO 17 HD1 PRO 17 5.810 -11.640 -6.231 131 H GLU 18 HN GLU 18 9.278 -15.822 -5.270 132 HA GLU 18 HA GLU 18 9.602 -16.157 -2.509 133 HB2 GLU 18 HB2 GLU 18 11.539 -16.729 -4.754 134 HB3 GLU 18 HB1 GLU 18 11.712 -17.310 -3.102 135 HG2 GLU 18 HG2 GLU 18 9.548 -18.485 -3.337 136 HG3 GLU 18 HG1 GLU 18 9.503 -17.985 -5.027 137 H GLY 19 HN GLY 19 10.979 -15.314 -1.031 138 HA2 GLY 19 HA2 GLY 19 12.896 -13.971 -0.435 139 HA3 GLY 19 HA1 GLY 19 12.642 -13.041 -1.905 140 H TYR 20 HN TYR 20 9.633 -13.260 -1.127 141 HA TYR 20 HA TYR 20 9.666 -10.840 0.508 142 HB2 TYR 20 HB2 TYR 20 7.595 -12.128 -1.239 143 HB3 TYR 20 HB1 TYR 20 7.148 -10.889 -0.071 144 HD1 TYR 20 HD1 TYR 20 8.016 -8.606 -0.301 145 HD2 TYR 20 HD2 TYR 20 8.737 -11.558 -3.277 146 HE1 TYR 20 HE1 TYR 20 8.629 -6.840 -1.889 147 HE2 TYR 20 HE2 TYR 20 9.358 -9.795 -4.874 148 HH TYR 20 HH TYR 20 10.099 -6.701 -3.987 149 H ASP 21 HN ASP 21 7.838 -10.612 2.108 150 HA ASP 21 HA ASP 21 7.542 -13.112 3.637 151 HB2 ASP 21 HB2 ASP 21 9.234 -11.538 4.620 152 HB3 ASP 21 HB1 ASP 21 7.943 -10.358 4.828 153 H ARG 22 HN ARG 22 5.462 -13.548 3.055 154 HA ARG 22 HA ARG 22 3.437 -11.484 3.541 155 HB2 ARG 22 HB2 ARG 22 3.248 -12.564 1.378 156 HB3 ARG 22 HB1 ARG 22 3.256 -14.153 2.128 157 HG2 ARG 22 HG2 ARG 22 1.110 -13.840 3.048 158 HG3 ARG 22 HG1 ARG 22 1.128 -12.115 2.699 159 HD2 ARG 22 HD2 ARG 22 -0.309 -13.307 1.150 160 HD3 ARG 22 HD1 ARG 22 1.060 -12.588 0.310 161 HE ARG 22 HE ARG 22 2.042 -14.793 0.176 162 HH11 ARG 22 HH11 ARG 22 -1.348 -14.666 1.073 163 HH12 ARG 22 HH12 ARG 22 -1.673 -16.288 0.550 164 HH21 ARG 22 HH21 ARG 22 1.600 -16.931 -0.512 165 HH22 ARG 22 HH22 ARG 22 -0.006 -17.572 -0.353 166 H SER 23 HN SER 23 1.736 -11.814 4.955 167 HA SER 23 HA SER 23 2.046 -14.089 6.793 168 HB2 SER 23 HB2 SER 23 1.213 -11.264 7.513 169 HB3 SER 23 HB1 SER 23 1.375 -12.616 8.632 170 HG SER 23 HG SER 23 3.575 -12.633 8.281 171 H2 PRO 24 HT1 PRO 24 -14.191 16.135 -4.455 172 H3 PRO 24 HT2 PRO 24 -13.230 17.443 -4.285 173 HA PRO 24 HA PRO 24 -13.650 17.710 -2.217 174 HB2 PRO 24 HB2 PRO 24 -16.285 16.800 -1.722 175 HB3 PRO 24 HB1 PRO 24 -15.719 18.476 -1.774 176 HG2 PRO 24 HG2 PRO 24 -16.999 16.848 -3.900 177 HG3 PRO 24 HG1 PRO 24 -17.089 18.594 -3.611 178 HD2 PRO 24 HD2 PRO 24 -15.630 17.635 -5.621 179 HD3 PRO 24 HD1 PRO 24 -15.039 18.995 -4.653 180 H HIS 25 HN HIS 25 -13.197 16.298 -0.561 181 HA HIS 25 HA HIS 25 -13.171 13.486 -1.285 182 HB2 HIS 25 HB2 HIS 25 -11.164 14.504 -0.272 183 HB3 HIS 25 HB1 HIS 25 -12.086 14.871 1.180 184 HD1 HIS 25 HD1 HIS 25 -10.908 11.859 -0.807 185 HD2 HIS 25 HD2 HIS 25 -12.094 12.874 3.046 186 HE1 HIS 25 HE1 HIS 25 -10.525 9.805 0.581 187 HE2 HIS 25 HE2 HIS 25 -11.065 10.502 2.936 188 H GLU 26 HN GLU 26 -15.485 13.246 -1.244 189 HA GLU 26 HA GLU 26 -16.694 13.230 1.420 190 HB2 GLU 26 HB2 GLU 26 -18.809 12.813 0.260 191 HB3 GLU 26 HB1 GLU 26 -18.004 14.231 -0.396 192 HG2 GLU 26 HG2 GLU 26 -17.251 12.961 -2.308 193 HG3 GLU 26 HG1 GLU 26 -17.948 11.488 -1.634 194 H GLN 27 HN GLN 27 -17.929 11.307 2.076 195 HA GLN 27 HA GLN 27 -16.654 8.845 1.099 196 HB2 GLN 27 HB2 GLN 27 -17.638 9.499 3.876 197 HB3 GLN 27 HB1 GLN 27 -17.075 7.917 3.362 198 HG2 GLN 27 HG2 GLN 27 -14.874 8.854 2.885 199 HG3 GLN 27 HG1 GLN 27 -15.439 10.438 3.417 200 HE21 GLN 27 HE21 GLN 27 -17.071 9.220 5.556 201 HE22 GLN 27 HE22 GLN 27 -15.951 8.783 6.797 202 H GLN 28 HN GLN 28 -17.898 7.103 0.730 203 HA GLN 28 HA GLN 28 -20.792 7.319 1.156 204 HB2 GLN 28 HB2 GLN 28 -19.435 6.485 -1.411 205 HB3 GLN 28 HB1 GLN 28 -21.134 6.209 -1.069 206 HG2 GLN 28 HG2 GLN 28 -19.745 8.848 -1.379 207 HG3 GLN 28 HG1 GLN 28 -20.921 8.112 -2.462 208 HE21 GLN 28 HE21 GLN 28 -20.993 10.706 -1.141 209 HE22 GLN 28 HE22 GLN 28 -22.444 10.714 -0.195 210 H GLU 29 HN GLU 29 -21.534 4.971 0.053 211 HA GLU 29 HA GLU 29 -20.427 3.074 1.948 212 HB2 GLU 29 HB2 GLU 29 -22.195 1.559 1.167 213 HB3 GLU 29 HB1 GLU 29 -22.855 3.131 1.599 214 HG2 GLU 29 HG2 GLU 29 -22.998 3.754 -0.723 215 HG3 GLU 29 HG1 GLU 29 -22.222 2.247 -1.207 216 H ASP 30 HN ASP 30 -20.308 3.773 -1.439 217 HA ASP 30 HA ASP 30 -19.261 1.321 -2.376 218 HB2 ASP 30 HB2 ASP 30 -18.761 4.057 -3.563 219 HB3 ASP 30 HB1 ASP 30 -18.749 2.509 -4.399 220 H VAL 31 HN VAL 31 -17.923 3.890 -0.610 221 HA VAL 31 HA VAL 31 -15.243 3.781 -1.506 222 HB VAL 31 HB VAL 31 -16.331 4.837 1.106 223 HG11 VAL 31 HG11 VAL 31 -13.917 4.462 1.172 224 HG12 VAL 31 HG12 VAL 31 -14.296 6.185 1.183 225 HG13 VAL 31 HG13 VAL 31 -13.725 5.416 -0.298 226 HG21 VAL 31 HG21 VAL 31 -17.409 5.918 -0.755 227 HG22 VAL 31 HG22 VAL 31 -15.851 6.209 -1.533 228 HG23 VAL 31 HG23 VAL 31 -16.251 7.031 -0.025 229 HA PRO 32 HA PRO 32 -14.253 -0.014 0.567 230 HB2 PRO 32 HB2 PRO 32 -11.617 -0.011 -0.151 231 HB3 PRO 32 HB1 PRO 32 -12.928 -0.560 -1.199 232 HG2 PRO 32 HG2 PRO 32 -11.462 2.031 -1.192 233 HG3 PRO 32 HG1 PRO 32 -12.069 1.085 -2.561 234 HD2 PRO 32 HD2 PRO 32 -13.317 3.305 -1.596 235 HD3 PRO 32 HD1 PRO 32 -14.174 1.979 -2.403 236 H GLU 33 HN GLU 33 -13.756 -0.350 2.583 237 HA GLU 33 HA GLU 33 -12.305 1.641 4.104 238 HB2 GLU 33 HB2 GLU 33 -14.432 0.819 5.008 239 HB3 GLU 33 HB1 GLU 33 -13.815 -0.833 4.983 240 HG2 GLU 33 HG2 GLU 33 -12.236 -0.355 6.685 241 HG3 GLU 33 HG1 GLU 33 -12.552 1.376 6.584 242 H TYR 34 HN TYR 34 -10.210 1.374 3.654 243 HA TYR 34 HA TYR 34 -8.969 -1.230 3.680 244 HB2 TYR 34 HB2 TYR 34 -7.774 1.531 3.450 245 HB3 TYR 34 HB1 TYR 34 -6.881 0.027 3.266 246 HD1 TYR 34 HD1 TYR 34 -7.677 -1.576 1.408 247 HD2 TYR 34 HD2 TYR 34 -8.775 2.529 1.602 248 HE1 TYR 34 HE1 TYR 34 -8.239 -1.620 -0.984 249 HE2 TYR 34 HE2 TYR 34 -9.339 2.500 -0.789 250 HH TYR 34 HH TYR 34 -9.577 -0.414 -2.581 251 H GLU 35 HN GLU 35 -7.236 -1.802 5.047 252 HA GLU 35 HA GLU 35 -7.104 -0.381 7.611 253 HB2 GLU 35 HB2 GLU 35 -8.579 -2.450 7.683 254 HB3 GLU 35 HB1 GLU 35 -7.128 -3.389 7.360 255 HG2 GLU 35 HG2 GLU 35 -6.127 -2.581 9.424 256 HG3 GLU 35 HG1 GLU 35 -7.548 -1.586 9.736 257 H VAL 36 HN VAL 36 -5.104 0.168 8.008 258 HA VAL 36 HA VAL 36 -2.936 -0.980 6.432 259 HB VAL 36 HB VAL 36 -2.987 1.516 8.137 260 HG11 VAL 36 HG11 VAL 36 -0.934 0.561 6.147 261 HG12 VAL 36 HG12 VAL 36 -0.739 0.605 7.899 262 HG13 VAL 36 HG13 VAL 36 -0.913 2.109 6.992 263 HG21 VAL 36 HG21 VAL 36 -4.499 1.710 6.253 264 HG22 VAL 36 HG22 VAL 36 -3.233 1.174 5.150 265 HG23 VAL 36 HG23 VAL 36 -3.076 2.717 5.988 266 H LYS 37 HN LYS 37 -1.309 -2.135 7.259 267 HA LYS 37 HA LYS 37 -0.926 -2.185 10.186 268 HB2 LYS 37 HB2 LYS 37 -0.648 -4.574 8.340 269 HB3 LYS 37 HB1 LYS 37 -0.352 -4.567 10.067 270 HG2 LYS 37 HG2 LYS 37 -2.434 -5.566 9.863 271 HG3 LYS 37 HG1 LYS 37 -2.820 -3.898 10.287 272 HD2 LYS 37 HD2 LYS 37 -3.209 -3.397 7.917 273 HD3 LYS 37 HD1 LYS 37 -2.847 -5.072 7.508 274 HE2 LYS 37 HE2 LYS 37 -5.046 -4.235 9.379 275 HE3 LYS 37 HE1 LYS 37 -5.281 -4.517 7.657 276 HZ1 LYS 37 HZ1 LYS 37 -4.150 -6.579 9.450 277 HZ2 LYS 37 HZ2 LYS 37 -4.803 -6.780 7.898 278 HZ3 LYS 37 HZ3 LYS 37 -5.814 -6.407 9.203 279 H MET 38 HN MET 38 1.092 -1.563 10.704 280 HA MET 38 HA MET 38 3.064 -1.466 8.522 281 HB2 MET 38 HB2 MET 38 2.147 0.576 9.996 282 HB3 MET 38 HB1 MET 38 3.491 0.073 11.015 283 HG2 MET 38 HG2 MET 38 5.059 0.493 9.361 284 HG3 MET 38 HG1 MET 38 3.852 0.521 8.087 285 HE1 MET 38 HE1 MET 38 3.894 2.571 6.892 286 HE2 MET 38 HE2 MET 38 5.536 2.755 7.517 287 HE3 MET 38 HE3 MET 38 4.430 4.129 7.529 288 H LYS 39 HN LYS 39 5.210 -2.166 8.868 289 HA LYS 39 HA LYS 39 5.808 -3.519 11.395 290 HB2 LYS 39 HB2 LYS 39 4.619 -5.014 9.531 291 HB3 LYS 39 HB1 LYS 39 6.252 -5.101 8.901 292 HG2 LYS 39 HG2 LYS 39 5.513 -5.851 11.718 293 HG3 LYS 39 HG1 LYS 39 5.569 -6.995 10.379 294 HD2 LYS 39 HD2 LYS 39 7.934 -6.504 10.049 295 HD3 LYS 39 HD1 LYS 39 7.882 -5.325 11.359 296 HE2 LYS 39 HE2 LYS 39 8.820 -7.370 12.198 297 HE3 LYS 39 HE1 LYS 39 7.222 -7.145 12.906 298 HZ1 LYS 39 HZ1 LYS 39 7.490 -9.413 12.230 299 HZ2 LYS 39 HZ2 LYS 39 7.920 -8.958 10.662 300 HZ3 LYS 39 HZ3 LYS 39 6.348 -8.688 11.219 301 H ARG 40 HN ARG 40 7.935 -3.361 11.897 302 HA ARG 40 HA ARG 40 9.686 -2.109 9.916 303 HB2 ARG 40 HB2 ARG 40 9.873 -2.397 12.906 304 HB3 ARG 40 HB1 ARG 40 11.253 -1.901 11.941 305 HG2 ARG 40 HG2 ARG 40 10.234 0.054 12.820 306 HG3 ARG 40 HG1 ARG 40 9.884 -0.000 11.092 307 HD2 ARG 40 HD2 ARG 40 7.905 0.654 12.309 308 HD3 ARG 40 HD1 ARG 40 7.673 -0.944 11.594 309 HE ARG 40 HE ARG 40 8.609 -1.392 14.148 310 HH11 ARG 40 HH11 ARG 40 5.837 0.230 12.750 311 HH12 ARG 40 HH12 ARG 40 4.805 -0.112 14.100 312 HH21 ARG 40 HH21 ARG 40 7.246 -1.854 15.910 313 HH22 ARG 40 HH22 ARG 40 5.599 -1.309 15.887 314 H PHE 41 HN PHE 41 11.429 -3.036 9.089 315 HA PHE 41 HA PHE 41 12.158 -5.726 10.057 316 HB2 PHE 41 HB2 PHE 41 12.047 -4.622 7.261 317 HB3 PHE 41 HB1 PHE 41 13.092 -5.982 7.652 318 HD1 PHE 41 HD1 PHE 41 9.545 -4.877 7.950 319 HD2 PHE 41 HD2 PHE 41 12.266 -8.119 7.528 320 HE1 PHE 41 HE1 PHE 41 7.655 -6.423 7.671 321 HE2 PHE 41 HE2 PHE 41 10.380 -9.674 7.251 322 HZ PHE 41 HZ PHE 41 8.069 -8.826 7.322 323 H LYS 42 HN LYS 42 14.462 -6.300 9.505 324 HA LYS 42 HA LYS 42 16.318 -4.110 9.246 325 HB2 LYS 42 HB2 LYS 42 15.690 -4.146 11.690 326 HB3 LYS 42 HB1 LYS 42 16.371 -5.764 11.778 327 HG2 LYS 42 HG2 LYS 42 17.994 -4.223 12.595 328 HG3 LYS 42 HG1 LYS 42 18.547 -4.819 11.029 329 HD2 LYS 42 HD2 LYS 42 17.707 -2.785 9.961 330 HD3 LYS 42 HD1 LYS 42 17.154 -2.190 11.526 331 HE2 LYS 42 HE2 LYS 42 20.008 -2.774 10.752 332 HE3 LYS 42 HE1 LYS 42 19.282 -1.176 10.897 333 HZ1 LYS 42 HZ1 LYS 42 18.882 -1.661 13.258 334 HZ2 LYS 42 HZ2 LYS 42 20.524 -1.676 12.867 335 HZ3 LYS 42 HZ3 LYS 42 19.695 -3.133 13.089 336 H GLY 43 HN GLY 43 17.546 -4.977 7.693 337 HA2 GLY 43 HA2 GLY 43 19.424 -6.334 7.149 338 HA3 GLY 43 HA1 GLY 43 18.837 -7.548 8.276 339 H ALA 44 HN ALA 44 16.373 -6.281 6.364 340 HA ALA 44 HA ALA 44 16.512 -8.606 4.571 341 HB1 ALA 44 HB1 ALA 44 14.076 -8.466 4.408 342 HB2 ALA 44 HB2 ALA 44 14.079 -7.081 5.500 343 HB3 ALA 44 HB3 ALA 44 14.590 -8.665 6.083 344 H ALA 45 HN ALA 45 15.272 -8.165 2.454 345 HA ALA 45 HA ALA 45 16.531 -6.118 1.033 346 HB1 ALA 45 HB1 ALA 45 15.599 -8.132 -0.007 347 HB2 ALA 45 HB2 ALA 45 15.004 -6.663 -0.783 348 HB3 ALA 45 HB3 ALA 45 13.970 -7.550 0.338 349 H TYR 46 HN TYR 46 13.719 -6.101 2.986 350 HA TYR 46 HA TYR 46 13.154 -3.346 2.192 351 HB2 TYR 46 HB2 TYR 46 10.736 -4.042 3.046 352 HB3 TYR 46 HB1 TYR 46 11.227 -4.309 1.375 353 HD1 TYR 46 HD1 TYR 46 10.848 -5.972 4.666 354 HD2 TYR 46 HD2 TYR 46 11.320 -6.476 0.469 355 HE1 TYR 46 HE1 TYR 46 10.395 -8.373 4.908 356 HE2 TYR 46 HE2 TYR 46 10.867 -8.879 0.701 357 HH TYR 46 HH TYR 46 9.647 -10.240 3.590 358 H LYS 47 HN LYS 47 12.671 -1.953 3.856 359 HA LYS 47 HA LYS 47 13.605 -2.921 6.470 360 HB2 LYS 47 HB2 LYS 47 13.549 -0.151 5.260 361 HB3 LYS 47 HB1 LYS 47 13.961 -0.462 6.934 362 HG2 LYS 47 HG2 LYS 47 15.985 -0.180 5.717 363 HG3 LYS 47 HG1 LYS 47 15.848 -1.883 6.147 364 HD2 LYS 47 HD2 LYS 47 16.629 -1.689 3.872 365 HD3 LYS 47 HD1 LYS 47 14.995 -2.351 3.871 366 HE2 LYS 47 HE2 LYS 47 14.157 -0.025 3.439 367 HE3 LYS 47 HE1 LYS 47 15.835 0.470 3.224 368 HZ1 LYS 47 HZ1 LYS 47 16.000 -1.205 1.440 369 HZ2 LYS 47 HZ2 LYS 47 14.866 0.005 1.100 370 HZ3 LYS 47 HZ3 LYS 47 14.340 -1.520 1.606 371 H LEU 48 HN LEU 48 10.915 -1.755 4.777 372 HA LEU 48 HA LEU 48 9.352 -1.728 7.252 373 HB2 LEU 48 HB2 LEU 48 10.094 0.603 6.059 374 HB3 LEU 48 HB1 LEU 48 8.589 0.279 5.223 375 HG LEU 48 HG LEU 48 8.255 1.771 7.130 376 HD11 LEU 48 HD11 LEU 48 6.448 0.260 6.479 377 HD12 LEU 48 HD12 LEU 48 6.442 0.606 8.202 378 HD13 LEU 48 HD13 LEU 48 7.051 -0.941 7.619 379 HD21 LEU 48 HD21 LEU 48 8.559 1.006 9.401 380 HD22 LEU 48 HD22 LEU 48 10.092 0.947 8.528 381 HD23 LEU 48 HD23 LEU 48 9.182 -0.536 8.822 382 H ARG 49 HN ARG 49 7.485 -2.821 7.060 383 HA ARG 49 HA ARG 49 6.536 -3.481 4.340 384 HB2 ARG 49 HB2 ARG 49 7.474 -5.418 5.659 385 HB3 ARG 49 HB1 ARG 49 6.178 -5.171 6.822 386 HG2 ARG 49 HG2 ARG 49 4.564 -5.491 4.915 387 HG3 ARG 49 HG1 ARG 49 5.945 -6.019 3.951 388 HD2 ARG 49 HD2 ARG 49 4.926 -7.979 4.819 389 HD3 ARG 49 HD1 ARG 49 6.406 -7.723 5.744 390 HE ARG 49 HE ARG 49 4.439 -6.466 7.184 391 HH11 ARG 49 HH11 ARG 49 5.001 -9.737 6.054 392 HH12 ARG 49 HH12 ARG 49 4.076 -10.468 7.330 393 HH21 ARG 49 HH21 ARG 49 3.249 -7.424 8.866 394 HH22 ARG 49 HH22 ARG 49 3.095 -9.151 8.941 395 H ILE 50 HN ILE 50 4.614 -2.602 3.892 396 HA ILE 50 HA ILE 50 2.818 -1.989 6.162 397 HB ILE 50 HB ILE 50 2.862 -0.450 3.557 398 HG12 ILE 50 HG12 ILE 50 3.826 1.425 4.977 399 HG13 ILE 50 HG11 ILE 50 4.198 0.209 6.187 400 HG21 ILE 50 HG21 ILE 50 1.498 1.147 4.769 401 HG22 ILE 50 HG22 ILE 50 1.601 0.152 6.220 402 HG23 ILE 50 HG23 ILE 50 0.754 -0.453 4.795 403 HD11 ILE 50 HD11 ILE 50 5.773 -0.830 4.794 404 HD12 ILE 50 HD12 ILE 50 6.078 0.907 4.691 405 HD13 ILE 50 HD13 ILE 50 5.236 0.081 3.378 406 H LEU 51 HN LEU 51 0.863 -2.830 6.096 407 HA LEU 51 HA LEU 51 0.048 -4.268 3.658 408 HB2 LEU 51 HB2 LEU 51 -0.103 -4.942 6.555 409 HB3 LEU 51 HB1 LEU 51 -1.401 -5.500 5.522 410 HG LEU 51 HG LEU 51 0.318 -7.214 5.873 411 HD11 LEU 51 HD11 LEU 51 -1.004 -7.201 3.829 412 HD12 LEU 51 HD12 LEU 51 0.619 -7.825 3.546 413 HD13 LEU 51 HD13 LEU 51 0.205 -6.184 3.049 414 HD21 LEU 51 HD21 LEU 51 2.524 -6.976 4.874 415 HD22 LEU 51 HD22 LEU 51 2.258 -5.746 6.110 416 HD23 LEU 51 HD23 LEU 51 2.141 -5.319 4.403 417 H ILE 52 HN ILE 52 -1.555 -3.258 2.660 418 HA ILE 52 HA ILE 52 -3.607 -1.943 4.329 419 HB ILE 52 HB ILE 52 -2.882 -1.204 1.488 420 HG12 ILE 52 HG12 ILE 52 -2.183 0.988 2.817 421 HG13 ILE 52 HG11 ILE 52 -1.923 -0.169 4.123 422 HG21 ILE 52 HG21 ILE 52 -4.303 0.747 1.886 423 HG22 ILE 52 HG22 ILE 52 -4.685 0.136 3.497 424 HG23 ILE 52 HG23 ILE 52 -5.200 -0.763 2.069 425 HD11 ILE 52 HD11 ILE 52 -0.651 -0.318 1.401 426 HD12 ILE 52 HD12 ILE 52 -0.353 -1.396 2.768 427 HD13 ILE 52 HD13 ILE 52 0.115 0.303 2.863 428 H GLU 53 HN GLU 53 -5.258 -3.379 4.421 429 HA GLU 53 HA GLU 53 -5.925 -4.772 1.920 430 HB2 GLU 53 HB2 GLU 53 -6.815 -6.577 3.204 431 HB3 GLU 53 HB1 GLU 53 -5.211 -6.211 3.817 432 HG2 GLU 53 HG2 GLU 53 -6.290 -4.880 5.621 433 HG3 GLU 53 HG1 GLU 53 -7.845 -5.484 5.063 434 H ASN 54 HN ASN 54 -8.082 -5.118 1.404 435 HA ASN 54 HA ASN 54 -9.802 -2.890 2.179 436 HB2 ASN 54 HB2 ASN 54 -9.285 -3.580 -0.255 437 HB3 ASN 54 HB1 ASN 54 -10.353 -4.942 0.049 438 HD21 ASN 54 HD21 ASN 54 -12.184 -3.420 1.728 439 HD22 ASN 54 HD22 ASN 54 -13.074 -2.408 0.651 440 H LYS 55 HN LYS 55 -11.108 -3.270 3.843 441 HA LYS 55 HA LYS 55 -12.719 -5.717 3.777 442 HB2 LYS 55 HB2 LYS 55 -12.519 -5.649 6.359 443 HB3 LYS 55 HB1 LYS 55 -11.188 -6.325 5.429 444 HG2 LYS 55 HG2 LYS 55 -10.038 -4.130 5.576 445 HG3 LYS 55 HG1 LYS 55 -11.336 -3.567 6.628 446 HD2 LYS 55 HD2 LYS 55 -9.536 -5.923 7.184 447 HD3 LYS 55 HD1 LYS 55 -9.356 -4.315 7.887 448 HE2 LYS 55 HE2 LYS 55 -11.683 -4.573 8.793 449 HE3 LYS 55 HE1 LYS 55 -11.621 -6.254 8.274 450 HZ1 LYS 55 HZ1 LYS 55 -9.670 -6.561 9.686 451 HZ2 LYS 55 HZ2 LYS 55 -11.008 -6.063 10.586 452 HZ3 LYS 55 HZ3 LYS 55 -9.782 -4.955 10.215 453 H ALA 56 HN ALA 56 -14.449 -4.532 2.997 454 HA ALA 56 HA ALA 56 -15.785 -2.864 5.002 455 HB1 ALA 56 HB1 ALA 56 -15.709 -2.137 2.085 456 HB2 ALA 56 HB2 ALA 56 -14.644 -1.434 3.297 457 HB3 ALA 56 HB3 ALA 56 -16.383 -1.193 3.411 458 HA PRO 57 HA PRO 57 -19.428 -5.154 3.871 459 HB2 PRO 57 HB2 PRO 57 -21.375 -3.248 3.927 460 HB3 PRO 57 HB1 PRO 57 -20.680 -3.982 5.375 461 HG2 PRO 57 HG2 PRO 57 -20.063 -1.354 4.098 462 HG3 PRO 57 HG1 PRO 57 -20.218 -1.757 5.817 463 HD2 PRO 57 HD2 PRO 57 -17.821 -1.469 4.606 464 HD3 PRO 57 HD1 PRO 57 -18.083 -2.604 5.938 465 H ASN 58 HN ASN 58 -19.058 -2.064 2.155 466 HA ASN 58 HA ASN 58 -20.305 -3.326 -0.200 467 HB2 ASN 58 HB2 ASN 58 -20.832 -0.535 0.841 468 HB3 ASN 58 HB1 ASN 58 -21.429 -1.165 -0.692 469 HD21 ASN 58 HD21 ASN 58 -21.626 -1.417 2.778 470 HD22 ASN 58 HD22 ASN 58 -23.137 -2.253 2.833 471 H SER 59 HN SER 59 -17.545 -3.074 0.296 472 HA SER 59 HA SER 59 -16.477 -0.765 -0.976 473 HB2 SER 59 HB2 SER 59 -14.416 -2.448 -1.053 474 HB3 SER 59 HB1 SER 59 -14.931 -1.677 0.443 475 HG SER 59 HG SER 59 -15.531 -4.297 -0.457 476 H LYS 60 HN LYS 60 -16.325 -0.335 -3.023 477 HA LYS 60 HA LYS 60 -15.979 -2.532 -4.937 478 HB2 LYS 60 HB2 LYS 60 -17.836 -0.171 -5.145 479 HB3 LYS 60 HB1 LYS 60 -17.327 -1.090 -6.556 480 HG2 LYS 60 HG2 LYS 60 -18.362 -3.080 -5.710 481 HG3 LYS 60 HG1 LYS 60 -18.717 -2.294 -4.171 482 HD2 LYS 60 HD2 LYS 60 -19.826 -1.414 -6.836 483 HD3 LYS 60 HD1 LYS 60 -20.679 -2.454 -5.694 484 HE2 LYS 60 HE2 LYS 60 -20.604 -0.699 -4.012 485 HE3 LYS 60 HE1 LYS 60 -19.696 0.336 -5.110 486 HZ1 LYS 60 HZ1 LYS 60 -21.900 1.045 -5.238 487 HZ2 LYS 60 HZ2 LYS 60 -22.512 -0.530 -5.338 488 HZ3 LYS 60 HZ3 LYS 60 -21.667 0.130 -6.644 489 HA PRO 61 HA PRO 61 -12.603 0.655 -5.159 490 HB2 PRO 61 HB2 PRO 61 -10.600 -1.149 -5.509 491 HB3 PRO 61 HB1 PRO 61 -11.187 -0.647 -3.921 492 HG2 PRO 61 HG2 PRO 61 -11.855 -3.099 -5.499 493 HG3 PRO 61 HG1 PRO 61 -11.504 -2.945 -3.768 494 HD2 PRO 61 HD2 PRO 61 -14.025 -3.153 -4.708 495 HD3 PRO 61 HD1 PRO 61 -13.630 -2.180 -3.278 496 H ASP 62 HN ASP 62 -11.750 1.498 -6.940 497 HA ASP 62 HA ASP 62 -12.416 0.311 -9.504 498 HB2 ASP 62 HB2 ASP 62 -11.083 2.939 -8.816 499 HB3 ASP 62 HB1 ASP 62 -11.510 2.427 -10.445 500 H ARG 63 HN ARG 63 -9.461 1.905 -8.357 501 HA ARG 63 HA ARG 63 -7.832 -0.337 -9.151 502 HB2 ARG 63 HB2 ARG 63 -6.570 0.937 -10.828 503 HB3 ARG 63 HB1 ARG 63 -8.250 0.723 -11.297 504 HG2 ARG 63 HG2 ARG 63 -8.675 3.021 -10.351 505 HG3 ARG 63 HG1 ARG 63 -6.921 3.202 -10.257 506 HD2 ARG 63 HD2 ARG 63 -8.514 2.595 -12.731 507 HD3 ARG 63 HD1 ARG 63 -7.813 4.158 -12.314 508 HE ARG 63 HE ARG 63 -6.004 1.876 -12.536 509 HH11 ARG 63 HH11 ARG 63 -7.255 4.837 -13.944 510 HH12 ARG 63 HH12 ARG 63 -5.954 4.980 -15.084 511 HH21 ARG 63 HH21 ARG 63 -4.315 2.061 -14.042 512 HH22 ARG 63 HH22 ARG 63 -4.283 3.404 -15.142 513 H PHE 64 HN PHE 64 -5.399 0.750 -9.270 514 HA PHE 64 HA PHE 64 -5.110 2.503 -6.936 515 HB2 PHE 64 HB2 PHE 64 -3.676 -0.120 -7.396 516 HB3 PHE 64 HB1 PHE 64 -3.145 1.085 -6.229 517 HD1 PHE 64 HD1 PHE 64 -4.424 1.519 -4.225 518 HD2 PHE 64 HD2 PHE 64 -5.613 -1.486 -6.986 519 HE1 PHE 64 HE1 PHE 64 -5.906 0.550 -2.521 520 HE2 PHE 64 HE2 PHE 64 -7.103 -2.460 -5.289 521 HZ PHE 64 HZ PHE 64 -7.252 -1.443 -3.053 522 H SER 65 HN SER 65 -3.726 4.126 -7.315 523 HA SER 65 HA SER 65 -1.503 3.633 -9.153 524 HB2 SER 65 HB2 SER 65 -3.253 6.108 -9.204 525 HB3 SER 65 HB1 SER 65 -1.782 5.876 -10.152 526 HG SER 65 HG SER 65 -3.394 3.773 -10.516 527 HA PRO 66 HA PRO 66 -0.114 5.433 -5.156 528 HB2 PRO 66 HB2 PRO 66 1.896 3.683 -4.737 529 HB3 PRO 66 HB1 PRO 66 0.223 3.325 -4.299 530 HG2 PRO 66 HG2 PRO 66 1.790 2.430 -6.678 531 HG3 PRO 66 HG1 PRO 66 0.642 1.520 -5.681 532 HD2 PRO 66 HD2 PRO 66 0.020 2.612 -8.109 533 HD3 PRO 66 HD1 PRO 66 -1.170 2.312 -6.826 534 H SER 67 HN SER 67 1.718 6.636 -4.694 535 HA SER 67 HA SER 67 3.937 6.693 -6.540 536 HB2 SER 67 HB2 SER 67 2.284 9.203 -6.187 537 HB3 SER 67 HB1 SER 67 3.708 8.995 -7.204 538 HG SER 67 HG SER 67 1.856 7.153 -7.840 539 H TYR 68 HN TYR 68 5.740 7.750 -5.703 540 HA TYR 68 HA TYR 68 5.559 8.294 -2.823 541 HB2 TYR 68 HB2 TYR 68 7.099 6.510 -3.269 542 HB3 TYR 68 HB1 TYR 68 7.875 7.423 -4.557 543 HD1 TYR 68 HD2 TYR 68 7.087 7.939 -0.928 544 HD2 TYR 68 HD1 TYR 68 9.960 8.243 -4.054 545 HE1 TYR 68 HE2 TYR 68 8.721 8.848 0.670 546 HE2 TYR 68 HE1 TYR 68 11.597 9.157 -2.455 547 HH TYR 68 HH TYR 68 11.135 9.098 0.912 548 H ASN 69 HN ASN 69 5.625 10.329 -2.225 549 HA ASN 69 HA ASN 69 6.897 12.275 -4.001 550 HB2 ASN 69 HB2 ASN 69 5.783 13.951 -2.409 551 HB3 ASN 69 HB1 ASN 69 4.745 13.051 -3.505 552 HD21 ASN 69 HD21 ASN 69 5.657 13.600 -0.235 553 HD22 ASN 69 HD22 ASN 69 4.381 12.702 0.493 554 H PHE 70 HN PHE 70 8.913 12.718 -3.629 555 HA PHE 70 HA PHE 70 10.347 11.917 -1.336 556 HB2 PHE 70 HB2 PHE 70 11.059 13.898 -3.511 557 HB3 PHE 70 HB1 PHE 70 12.186 13.343 -2.282 558 HD1 PHE 70 HD1 PHE 70 10.119 12.242 -5.144 559 HD2 PHE 70 HD2 PHE 70 13.348 11.324 -2.531 560 HE1 PHE 70 HE1 PHE 70 10.752 10.361 -6.590 561 HE2 PHE 70 HE2 PHE 70 13.983 9.435 -3.974 562 HZ PHE 70 HZ PHE 70 12.685 8.952 -6.007 563 H ALA 71 HN ALA 71 8.763 14.865 -2.249 564 HA ALA 71 HA ALA 71 10.039 16.708 -0.613 565 HB1 ALA 71 HB1 ALA 71 8.483 17.268 -2.425 566 HB2 ALA 71 HB2 ALA 71 8.078 18.092 -0.917 567 HB3 ALA 71 HB3 ALA 71 7.145 16.687 -1.435 568 H GLU 72 HN GLU 72 7.312 14.575 0.109 569 HA GLU 72 HA GLU 72 7.450 15.479 2.909 570 HB2 GLU 72 HB2 GLU 72 5.139 13.905 1.873 571 HB3 GLU 72 HB1 GLU 72 5.183 15.103 3.158 572 HG2 GLU 72 HG2 GLU 72 5.373 16.884 1.519 573 HG3 GLU 72 HG1 GLU 72 5.393 15.694 0.217 574 H ASN 73 HN ASN 73 8.598 13.202 1.015 575 HA ASN 73 HA ASN 73 9.135 11.011 1.036 576 HB2 ASN 73 HB2 ASN 73 10.132 10.176 3.160 577 HB3 ASN 73 HB1 ASN 73 10.745 11.743 2.655 578 HD21 ASN 73 HD21 ASN 73 8.639 10.087 4.889 579 HD22 ASN 73 HD22 ASN 73 8.589 11.346 6.074 580 H ILE 74 HN ILE 74 6.499 11.202 0.862 581 HA ILE 74 HA ILE 74 5.501 9.056 2.616 582 HB ILE 74 HB ILE 74 4.048 11.463 1.526 583 HG12 ILE 74 HG12 ILE 74 4.215 10.515 4.373 584 HG13 ILE 74 HG11 ILE 74 5.484 11.501 3.664 585 HG21 ILE 74 HG21 ILE 74 2.870 9.058 2.910 586 HG22 ILE 74 HG22 ILE 74 2.574 9.563 1.246 587 HG23 ILE 74 HG23 ILE 74 2.013 10.565 2.584 588 HD11 ILE 74 HD11 ILE 74 3.854 13.250 3.210 589 HD12 ILE 74 HD12 ILE 74 3.946 12.848 4.925 590 HD13 ILE 74 HD13 ILE 74 2.594 12.262 3.953 591 H LEU 75 HN LEU 75 4.486 7.363 1.694 592 HA LEU 75 HA LEU 75 4.404 7.263 -1.240 593 HB2 LEU 75 HB2 LEU 75 5.741 5.544 -0.028 594 HB3 LEU 75 HB1 LEU 75 4.294 5.027 0.803 595 HG LEU 75 HG LEU 75 5.124 3.597 -1.143 596 HD11 LEU 75 HD11 LEU 75 2.277 4.578 -1.132 597 HD12 LEU 75 HD12 LEU 75 2.945 3.249 -0.182 598 HD13 LEU 75 HD13 LEU 75 2.847 3.115 -1.938 599 HD21 LEU 75 HD21 LEU 75 3.906 5.852 -2.723 600 HD22 LEU 75 HD22 LEU 75 4.392 4.286 -3.371 601 HD23 LEU 75 HD23 LEU 75 5.603 5.380 -2.707 602 H TYR 76 HN TYR 76 2.449 8.013 -1.879 603 HA TYR 76 HA TYR 76 0.122 7.406 -0.234 604 HB2 TYR 76 HB2 TYR 76 -0.742 9.339 -0.990 605 HB3 TYR 76 HB1 TYR 76 0.858 9.665 -1.632 606 HD1 TYR 76 HD1 TYR 76 -2.560 8.668 -2.435 607 HD2 TYR 76 HD2 TYR 76 1.301 9.480 -4.013 608 HE1 TYR 76 HE1 TYR 76 -3.523 8.801 -4.689 609 HE2 TYR 76 HE2 TYR 76 0.348 9.609 -6.281 610 HH TYR 76 HH TYR 76 -1.635 8.795 -7.502 611 H ILE 77 HN ILE 77 -1.593 6.198 -0.902 612 HA ILE 77 HA ILE 77 -1.021 4.332 -3.075 613 HB ILE 77 HB ILE 77 -3.116 4.248 -0.899 614 HG12 ILE 77 HG12 ILE 77 -0.807 3.926 -0.089 615 HG13 ILE 77 HG11 ILE 77 -1.770 2.461 0.072 616 HG21 ILE 77 HG21 ILE 77 -3.908 3.119 -2.889 617 HG22 ILE 77 HG22 ILE 77 -3.533 1.947 -1.624 618 HG23 ILE 77 HG23 ILE 77 -2.418 2.178 -2.971 619 HD11 ILE 77 HD11 ILE 77 0.272 3.028 -2.063 620 HD12 ILE 77 HD12 ILE 77 -0.717 1.572 -1.957 621 HD13 ILE 77 HD13 ILE 77 0.457 1.935 -0.691 622 H ASN 78 HN ASN 78 -3.750 6.214 -1.837 623 HA ASN 78 HA ASN 78 -4.591 6.897 -4.530 624 HB2 ASN 78 HB2 ASN 78 -6.171 5.134 -2.684 625 HB3 ASN 78 HB1 ASN 78 -7.030 6.285 -3.695 626 HD21 ASN 78 HD21 ASN 78 -7.069 3.368 -3.719 627 HD22 ASN 78 HD22 ASN 78 -6.614 2.899 -5.319 628 H GLY 79 HN GLY 79 -6.719 8.352 -4.205 629 HA2 GLY 79 HA2 GLY 79 -5.973 10.458 -2.411 630 HA3 GLY 79 HA1 GLY 79 -7.427 10.397 -3.398 631 H LYS 80 HN LYS 80 -7.166 7.602 -1.658 632 HA LYS 80 HA LYS 80 -9.189 8.467 0.248 633 HB2 LYS 80 HB2 LYS 80 -8.225 5.662 -0.307 634 HB3 LYS 80 HB1 LYS 80 -9.757 6.155 0.413 635 HG2 LYS 80 HG2 LYS 80 -10.480 7.114 -1.676 636 HG3 LYS 80 HG1 LYS 80 -8.911 6.771 -2.402 637 HD2 LYS 80 HD2 LYS 80 -9.333 4.360 -2.063 638 HD3 LYS 80 HD1 LYS 80 -10.951 4.757 -1.472 639 HE2 LYS 80 HE2 LYS 80 -11.369 5.926 -3.639 640 HE3 LYS 80 HE1 LYS 80 -9.820 5.314 -4.210 641 HZ1 LYS 80 HZ1 LYS 80 -10.692 3.047 -3.782 642 HZ2 LYS 80 HZ2 LYS 80 -11.517 3.885 -4.993 643 HZ3 LYS 80 HZ3 LYS 80 -12.206 3.732 -3.460 644 H LEU 81 HN LEU 81 -5.988 7.034 0.065 645 HA LEU 81 HA LEU 81 -5.380 7.982 2.685 646 HB2 LEU 81 HB2 LEU 81 -4.566 5.664 3.440 647 HB3 LEU 81 HB1 LEU 81 -6.257 6.071 3.601 648 HG LEU 81 HG LEU 81 -6.772 4.733 1.596 649 HD11 LEU 81 HD11 LEU 81 -5.103 3.288 0.605 650 HD12 LEU 81 HD12 LEU 81 -3.866 3.933 1.684 651 HD13 LEU 81 HD13 LEU 81 -4.597 4.973 0.462 652 HD21 LEU 81 HD21 LEU 81 -6.931 3.714 3.769 653 HD22 LEU 81 HD22 LEU 81 -5.209 3.328 3.747 654 HD23 LEU 81 HD23 LEU 81 -6.304 2.543 2.607 655 H SER 82 HN SER 82 -3.207 7.960 3.216 656 HA SER 82 HA SER 82 -1.369 7.127 1.086 657 HB2 SER 82 HB2 SER 82 -0.004 9.178 1.696 658 HB3 SER 82 HB1 SER 82 -1.531 9.510 0.878 659 HG SER 82 HG SER 82 -2.399 10.228 2.736 660 H ILE 83 HN ILE 83 0.692 6.425 1.810 661 HA ILE 83 HA ILE 83 0.699 5.669 4.651 662 HB ILE 83 HB ILE 83 2.187 4.444 2.321 663 HG12 ILE 83 HG12 ILE 83 -0.196 3.945 2.245 664 HG13 ILE 83 HG11 ILE 83 0.700 2.504 2.710 665 HG21 ILE 83 HG21 ILE 83 2.065 3.551 5.198 666 HG22 ILE 83 HG22 ILE 83 3.456 4.292 4.406 667 HG23 ILE 83 HG23 ILE 83 2.880 2.713 3.878 668 HD11 ILE 83 HD11 ILE 83 0.097 2.926 5.059 669 HD12 ILE 83 HD12 ILE 83 -1.309 2.686 4.021 670 HD13 ILE 83 HD13 ILE 83 -0.862 4.312 4.540 671 HA PRO 84 HA PRO 84 3.995 8.741 4.694 672 HB2 PRO 84 HB2 PRO 84 3.963 9.177 7.353 673 HB3 PRO 84 HB1 PRO 84 2.772 9.887 6.262 674 HG2 PRO 84 HG2 PRO 84 2.521 7.515 8.057 675 HG3 PRO 84 HG1 PRO 84 1.334 8.781 7.700 676 HD2 PRO 84 HD2 PRO 84 1.327 6.282 6.554 677 HD3 PRO 84 HD1 PRO 84 0.604 7.722 5.810 678 H LEU 85 HN LEU 85 6.102 8.384 4.810 679 HA LEU 85 HA LEU 85 6.962 5.890 6.092 680 HB2 LEU 85 HB2 LEU 85 8.406 7.585 4.054 681 HB3 LEU 85 HB1 LEU 85 8.853 5.973 4.583 682 HG LEU 85 HG LEU 85 6.335 6.656 3.061 683 HD11 LEU 85 HD11 LEU 85 8.875 5.331 2.143 684 HD12 LEU 85 HD12 LEU 85 8.335 6.953 1.709 685 HD13 LEU 85 HD13 LEU 85 7.412 5.546 1.183 686 HD21 LEU 85 HD21 LEU 85 6.123 4.223 2.813 687 HD22 LEU 85 HD22 LEU 85 6.048 4.721 4.503 688 HD23 LEU 85 HD23 LEU 85 7.524 4.000 3.860 689 HA PRO 86 HA PRO 86 9.241 8.129 9.161 690 HB2 PRO 86 HB2 PRO 86 11.248 6.327 9.617 691 HB3 PRO 86 HB1 PRO 86 9.620 6.167 10.280 692 HG2 PRO 86 HG2 PRO 86 10.842 4.834 7.909 693 HG3 PRO 86 HG1 PRO 86 9.746 4.165 9.132 694 HD2 PRO 86 HD2 PRO 86 8.915 4.908 6.662 695 HD3 PRO 86 HD1 PRO 86 7.874 5.018 8.097 696 H ARG 87 HN ARG 87 10.976 9.486 9.261 697 HA ARG 87 HA ARG 87 12.273 10.006 6.741 698 HB2 ARG 87 HB2 ARG 87 12.324 11.401 9.412 699 HB3 ARG 87 HB1 ARG 87 13.345 11.909 8.079 700 HG2 ARG 87 HG2 ARG 87 11.455 13.317 8.057 701 HG3 ARG 87 HG1 ARG 87 11.254 12.190 6.717 702 HD2 ARG 87 HD2 ARG 87 9.774 10.818 8.168 703 HD3 ARG 87 HD1 ARG 87 9.902 12.064 9.410 704 HE ARG 87 HE ARG 87 9.084 13.376 7.139 705 HH11 ARG 87 HH11 ARG 87 7.829 10.796 9.148 706 HH12 ARG 87 HH12 ARG 87 6.173 11.125 8.742 707 HH21 ARG 87 HH21 ARG 87 6.916 13.783 6.592 708 HH22 ARG 87 HH22 ARG 87 5.656 12.820 7.293 709 H ASP 88 HN ASP 88 12.906 7.862 9.054 710 HA ASP 88 HA ASP 88 15.790 8.257 9.211 711 HB2 ASP 88 HB2 ASP 88 14.495 7.675 11.242 712 HB3 ASP 88 HB1 ASP 88 14.021 6.158 10.488 713 H ILE 89 HN ILE 89 13.715 6.942 7.066 714 HA ILE 89 HA ILE 89 15.581 4.798 6.288 715 HB ILE 89 HB ILE 89 12.611 4.992 5.752 716 HG12 ILE 89 HG12 ILE 89 14.218 3.085 7.466 717 HG13 ILE 89 HG11 ILE 89 13.128 4.338 8.051 718 HG21 ILE 89 HG21 ILE 89 14.565 2.842 4.936 719 HG22 ILE 89 HG22 ILE 89 13.779 3.993 3.857 720 HG23 ILE 89 HG23 ILE 89 12.816 2.788 4.711 721 HD11 ILE 89 HD11 ILE 89 12.064 2.187 8.188 722 HD12 ILE 89 HD12 ILE 89 12.366 1.890 6.477 723 HD13 ILE 89 HD13 ILE 89 11.255 3.168 6.968 724 H VAL 90 HN VAL 90 16.419 4.852 4.269 725 HA VAL 90 HA VAL 90 15.816 7.133 2.571 726 HB VAL 90 HB VAL 90 17.786 4.872 2.148 727 HG11 VAL 90 HG11 VAL 90 17.103 5.891 0.047 728 HG12 VAL 90 HG12 VAL 90 18.766 6.332 0.434 729 HG13 VAL 90 HG13 VAL 90 17.462 7.493 0.690 730 HG21 VAL 90 HG21 VAL 90 19.499 6.488 2.793 731 HG22 VAL 90 HG22 VAL 90 18.342 6.236 4.100 732 HG23 VAL 90 HG23 VAL 90 18.253 7.691 3.111 733 H VAL 91 HN VAL 91 14.154 6.992 1.185 734 HA VAL 91 HA VAL 91 13.523 4.341 0.094 735 HB VAL 91 HB VAL 91 11.834 4.653 1.687 736 HG11 VAL 91 HG11 VAL 91 12.290 6.982 2.222 737 HG12 VAL 91 HG12 VAL 91 10.564 6.705 1.981 738 HG13 VAL 91 HG13 VAL 91 11.518 7.482 0.718 739 HG21 VAL 91 HG21 VAL 91 9.787 4.991 0.394 740 HG22 VAL 91 HG22 VAL 91 10.951 3.997 -0.480 741 HG23 VAL 91 HG23 VAL 91 10.736 5.692 -0.917 742 H ASN 92 HN ASN 92 13.202 4.206 -1.996 743 HA ASN 92 HA ASN 92 12.662 6.585 -3.598 744 HB2 ASN 92 HB2 ASN 92 14.496 5.251 -5.154 745 HB3 ASN 92 HB1 ASN 92 14.815 6.718 -4.237 746 HD21 ASN 92 HD21 ASN 92 14.916 3.214 -4.096 747 HD22 ASN 92 HD22 ASN 92 16.225 3.120 -2.965 748 H ALA 93 HN ALA 93 12.162 5.980 -5.876 749 HA ALA 93 HA ALA 93 10.065 4.113 -5.894 750 HB1 ALA 93 HB1 ALA 93 11.489 5.351 -8.244 751 HB2 ALA 93 HB2 ALA 93 10.166 6.089 -7.339 752 HB3 ALA 93 HB3 ALA 93 9.888 4.611 -8.261 753 H ALA 94 HN ALA 94 13.410 3.726 -6.428 754 HA ALA 94 HA ALA 94 13.179 1.321 -8.030 755 HB1 ALA 94 HB1 ALA 94 15.618 1.266 -7.911 756 HB2 ALA 94 HB2 ALA 94 15.592 2.584 -6.739 757 HB3 ALA 94 HB3 ALA 94 15.040 2.863 -8.391 758 H ASP 95 HN ASP 95 13.001 2.086 -4.772 759 HA ASP 95 HA ASP 95 13.944 -0.575 -3.916 760 HB2 ASP 95 HB2 ASP 95 15.110 1.471 -3.006 761 HB3 ASP 95 HB1 ASP 95 13.600 1.907 -2.221 762 H ILE 96 HN ILE 96 11.302 1.567 -4.148 763 HA ILE 96 HA ILE 96 9.595 0.384 -2.179 764 HB ILE 96 HB ILE 96 9.084 2.230 -4.510 765 HG12 ILE 96 HG12 ILE 96 8.960 2.843 -1.565 766 HG13 ILE 96 HG11 ILE 96 10.439 3.008 -2.509 767 HG21 ILE 96 HG21 ILE 96 7.069 0.901 -3.975 768 HG22 ILE 96 HG22 ILE 96 6.861 2.614 -3.611 769 HG23 ILE 96 HG23 ILE 96 7.161 1.464 -2.306 770 HD11 ILE 96 HD11 ILE 96 9.227 5.122 -2.254 771 HD12 ILE 96 HD12 ILE 96 7.853 4.417 -3.104 772 HD13 ILE 96 HD13 ILE 96 9.395 4.628 -3.938 773 H LYS 97 HN LYS 97 8.667 -1.527 -2.360 774 HA LYS 97 HA LYS 97 8.069 -2.590 -5.044 775 HB2 LYS 97 HB2 LYS 97 8.311 -4.197 -2.505 776 HB3 LYS 97 HB1 LYS 97 8.339 -4.787 -4.156 777 HG2 LYS 97 HG2 LYS 97 10.467 -3.142 -2.809 778 HG3 LYS 97 HG1 LYS 97 10.553 -4.859 -3.196 779 HD2 LYS 97 HD2 LYS 97 10.277 -2.634 -5.222 780 HD3 LYS 97 HD1 LYS 97 11.786 -3.448 -4.812 781 HE2 LYS 97 HE2 LYS 97 10.822 -5.584 -5.555 782 HE3 LYS 97 HE1 LYS 97 9.333 -4.751 -5.992 783 HZ1 LYS 97 HZ1 LYS 97 10.815 -5.146 -7.891 784 HZ2 LYS 97 HZ2 LYS 97 11.992 -4.169 -7.169 785 HZ3 LYS 97 HZ3 LYS 97 10.514 -3.499 -7.641 786 H ILE 98 HN ILE 98 5.981 -2.193 -5.490 787 HA ILE 98 HA ILE 98 4.008 -2.549 -3.336 788 HB ILE 98 HB ILE 98 3.759 -0.929 -5.873 789 HG12 ILE 98 HG12 ILE 98 4.120 -0.095 -2.990 790 HG13 ILE 98 HG11 ILE 98 5.303 0.080 -4.280 791 HG21 ILE 98 HG21 ILE 98 1.668 -0.111 -4.925 792 HG22 ILE 98 HG22 ILE 98 1.874 -1.174 -3.533 793 HG23 ILE 98 HG23 ILE 98 1.621 -1.860 -5.136 794 HD11 ILE 98 HD11 ILE 98 3.741 1.590 -5.442 795 HD12 ILE 98 HD12 ILE 98 4.265 2.190 -3.869 796 HD13 ILE 98 HD13 ILE 98 2.659 1.483 -4.054 797 H PHE 99 HN PHE 99 2.758 -4.265 -3.447 798 HA PHE 99 HA PHE 99 2.054 -5.385 -6.070 799 HB2 PHE 99 HB2 PHE 99 3.073 -6.871 -3.651 800 HB3 PHE 99 HB1 PHE 99 2.179 -7.668 -4.936 801 HD1 PHE 99 HD2 PHE 99 5.257 -5.731 -4.222 802 HD2 PHE 99 HD1 PHE 99 3.246 -8.368 -6.885 803 HE1 PHE 99 HE2 PHE 99 7.347 -6.045 -5.485 804 HE2 PHE 99 HE1 PHE 99 5.330 -8.686 -8.151 805 HZ PHE 99 HZ PHE 99 7.384 -7.523 -7.452 806 H HIS 100 HN HIS 100 -0.075 -5.513 -6.290 807 HA HIS 100 HA HIS 100 -1.733 -5.444 -3.867 808 HB2 HIS 100 HB2 HIS 100 -2.206 -3.598 -5.333 809 HB3 HIS 100 HB1 HIS 100 -2.386 -4.678 -6.711 810 HD1 HIS 100 HD1 HIS 100 -4.028 -4.683 -3.254 811 HD2 HIS 100 HD2 HIS 100 -4.997 -4.789 -7.284 812 HE1 HIS 100 HE1 HIS 100 -6.528 -4.930 -3.334 813 HE2 HIS 100 HE2 HIS 100 -7.107 -4.923 -5.788 814 H ILE 101 HN ILE 101 -2.321 -7.375 -3.219 815 HA ILE 101 HA ILE 101 -2.848 -9.491 -5.145 816 HB ILE 101 HB ILE 101 -2.869 -9.507 -2.124 817 HG12 ILE 101 HG12 ILE 101 -0.899 -10.608 -4.138 818 HG13 ILE 101 HG11 ILE 101 -0.633 -9.241 -3.060 819 HG21 ILE 101 HG21 ILE 101 -2.978 -11.910 -3.922 820 HG22 ILE 101 HG22 ILE 101 -4.421 -11.141 -3.274 821 HG23 ILE 101 HG23 ILE 101 -3.230 -11.835 -2.176 822 HD11 ILE 101 HD11 ILE 101 -1.035 -12.104 -2.240 823 HD12 ILE 101 HD12 ILE 101 -0.831 -10.743 -1.138 824 HD13 ILE 101 HD13 ILE 101 0.482 -11.204 -2.223 825 H ARG 102 HN ARG 102 -4.806 -9.587 -6.022 826 HA ARG 102 HA ARG 102 -7.086 -8.378 -4.729 827 HB2 ARG 102 HB2 ARG 102 -6.949 -10.001 -7.281 828 HB3 ARG 102 HB1 ARG 102 -8.307 -9.018 -6.750 829 HG2 ARG 102 HG2 ARG 102 -7.027 -7.008 -6.987 830 HG3 ARG 102 HG1 ARG 102 -5.564 -7.929 -7.332 831 HD2 ARG 102 HD2 ARG 102 -6.436 -7.076 -9.392 832 HD3 ARG 102 HD1 ARG 102 -6.665 -8.821 -9.360 833 HE ARG 102 HE ARG 102 -9.009 -8.430 -8.881 834 HH11 ARG 102 HH11 ARG 102 -7.157 -5.647 -9.957 835 HH12 ARG 102 HH12 ARG 102 -8.541 -4.834 -10.625 836 HH21 ARG 102 HH21 ARG 102 -10.824 -7.355 -9.767 837 HH22 ARG 102 HH22 ARG 102 -10.628 -5.803 -10.513 838 H LYS 103 HN LYS 103 -5.712 -11.525 -5.099 839 HA LYS 103 HA LYS 103 -7.864 -13.184 -4.494 840 HB2 LYS 103 HB2 LYS 103 -5.801 -14.128 -5.247 841 HB3 LYS 103 HB1 LYS 103 -4.913 -13.419 -3.907 842 HG2 LYS 103 HG2 LYS 103 -6.174 -14.892 -2.361 843 HG3 LYS 103 HG1 LYS 103 -6.922 -15.658 -3.763 844 HD2 LYS 103 HD2 LYS 103 -4.773 -16.404 -4.562 845 HD3 LYS 103 HD1 LYS 103 -3.946 -15.514 -3.282 846 HE2 LYS 103 HE2 LYS 103 -4.025 -17.830 -2.676 847 HE3 LYS 103 HE1 LYS 103 -5.112 -16.939 -1.617 848 HZ1 LYS 103 HZ1 LYS 103 -6.116 -18.991 -2.371 849 HZ2 LYS 103 HZ2 LYS 103 -5.920 -18.533 -3.984 850 HZ3 LYS 103 HZ3 LYS 103 -6.973 -17.669 -2.986 851 H GLU 104 HN GLU 104 -5.670 -11.446 -2.347 852 HA GLU 104 HA GLU 104 -7.208 -12.360 -0.023 853 HB2 GLU 104 HB2 GLU 104 -4.730 -12.757 -0.087 854 HB3 GLU 104 HB1 GLU 104 -4.497 -11.017 -0.101 855 HG2 GLU 104 HG2 GLU 104 -4.156 -11.856 2.113 856 HG3 GLU 104 HG1 GLU 104 -5.619 -10.874 2.082 857 H ARG 105 HN ARG 105 -7.243 -9.946 -2.139 858 HA ARG 105 HA ARG 105 -7.892 -7.768 -2.230 859 HB2 ARG 105 HB2 ARG 105 -9.128 -8.289 0.476 860 HB3 ARG 105 HB1 ARG 105 -9.593 -7.050 -0.678 861 HG2 ARG 105 HG2 ARG 105 -10.385 -8.758 -2.218 862 HG3 ARG 105 HG1 ARG 105 -9.879 -10.020 -1.090 863 HD2 ARG 105 HD2 ARG 105 -12.020 -7.939 -0.690 864 HD3 ARG 105 HD1 ARG 105 -12.225 -9.688 -0.799 865 HE ARG 105 HE ARG 105 -10.506 -9.141 1.338 866 HH11 ARG 105 HH11 ARG 105 -13.866 -8.693 0.463 867 HH12 ARG 105 HH12 ARG 105 -14.418 -8.669 2.109 868 HH21 ARG 105 HH21 ARG 105 -11.220 -9.112 3.486 869 HH22 ARG 105 HH22 ARG 105 -12.910 -8.921 3.833 870 H THR 106 HN THR 106 -5.281 -8.274 -1.107 871 HA THR 106 HA THR 106 -5.111 -6.106 0.870 872 HB THR 106 HB THR 106 -3.445 -8.627 0.856 873 HG1 THR 106 HG1 THR 106 -5.784 -8.707 1.545 874 HG21 THR 106 HG21 THR 106 -3.578 -6.297 2.770 875 HG22 THR 106 HG22 THR 106 -2.204 -6.780 1.777 876 HG23 THR 106 HG23 THR 106 -2.743 -7.812 3.102 877 H LEU 107 HN LEU 107 -3.495 -4.656 0.628 878 HA LEU 107 HA LEU 107 -1.840 -4.952 -1.787 879 HB2 LEU 107 HB2 LEU 107 -3.493 -2.896 -1.057 880 HB3 LEU 107 HB1 LEU 107 -1.945 -2.324 -0.469 881 HG LEU 107 HG LEU 107 -2.523 -3.148 -3.315 882 HD11 LEU 107 HD11 LEU 107 -2.198 -0.421 -2.081 883 HD12 LEU 107 HD12 LEU 107 -3.687 -1.108 -2.735 884 HD13 LEU 107 HD13 LEU 107 -2.331 -0.759 -3.807 885 HD21 LEU 107 HD21 LEU 107 -0.200 -3.520 -2.697 886 HD22 LEU 107 HD22 LEU 107 -0.089 -1.867 -2.090 887 HD23 LEU 107 HD23 LEU 107 -0.349 -2.160 -3.809 888 H TYR 108 HN TYR 108 0.237 -5.355 -1.513 889 HA TYR 108 HA TYR 108 1.385 -5.080 1.168 890 HB2 TYR 108 HB2 TYR 108 2.270 -6.702 -1.227 891 HB3 TYR 108 HB1 TYR 108 3.130 -6.639 0.308 892 HD1 TYR 108 HD1 TYR 108 -0.312 -7.310 -0.969 893 HD2 TYR 108 HD2 TYR 108 2.733 -8.341 1.813 894 HE1 TYR 108 HE1 TYR 108 -1.714 -9.130 -0.123 895 HE2 TYR 108 HE2 TYR 108 1.334 -10.171 2.669 896 HH TYR 108 HH TYR 108 -1.201 -10.670 2.748 897 H ILE 109 HN ILE 109 2.800 -3.568 1.595 898 HA ILE 109 HA ILE 109 4.312 -2.328 -0.619 899 HB ILE 109 HB ILE 109 3.698 -1.120 2.079 900 HG12 ILE 109 HG12 ILE 109 1.626 -1.370 0.806 901 HG13 ILE 109 HG11 ILE 109 2.083 0.326 0.916 902 HG21 ILE 109 HG21 ILE 109 5.737 -0.284 1.021 903 HG22 ILE 109 HG22 ILE 109 4.491 0.959 1.125 904 HG23 ILE 109 HG23 ILE 109 4.807 0.155 -0.414 905 HD11 ILE 109 HD11 ILE 109 1.249 -0.259 -1.295 906 HD12 ILE 109 HD12 ILE 109 2.534 -1.455 -1.464 907 HD13 ILE 109 HD13 ILE 109 2.933 0.259 -1.353 908 H TYR 110 HN TYR 110 6.382 -2.974 -0.634 909 HA TYR 110 HA TYR 110 7.703 -3.433 1.963 910 HB2 TYR 110 HB2 TYR 110 8.353 -4.717 -0.695 911 HB3 TYR 110 HB1 TYR 110 9.239 -4.968 0.797 912 HD1 TYR 110 HD2 TYR 110 6.115 -5.693 -1.005 913 HD2 TYR 110 HD1 TYR 110 8.405 -6.447 2.504 914 HE1 TYR 110 HE2 TYR 110 4.677 -7.618 -0.483 915 HE2 TYR 110 HE1 TYR 110 6.973 -8.372 3.030 916 HH TYR 110 HH TYR 110 4.768 -9.222 2.542 917 H ILE 111 HN ILE 111 9.234 -1.999 2.408 918 HA ILE 111 HA ILE 111 10.670 -0.726 0.181 919 HB ILE 111 HB ILE 111 9.685 0.721 2.651 920 HG12 ILE 111 HG12 ILE 111 8.863 1.023 -0.249 921 HG13 ILE 111 HG11 ILE 111 7.902 0.236 0.997 922 HG21 ILE 111 HG21 ILE 111 10.591 2.732 1.555 923 HG22 ILE 111 HG22 ILE 111 11.246 1.719 0.268 924 HG23 ILE 111 HG23 ILE 111 11.849 1.548 1.917 925 HD11 ILE 111 HD11 ILE 111 7.112 2.484 0.559 926 HD12 ILE 111 HD12 ILE 111 8.703 3.135 0.953 927 HD13 ILE 111 HD13 ILE 111 7.737 2.349 2.201 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 17.589 12.566 -3.349 2 H2 GLY 1 HT2 GLY 1 18.767 13.481 -4.139 3 H3 GLY 1 HT3 GLY 1 17.179 13.465 -4.717 4 HA2 GLY 1 HA1 GLY 1 18.028 14.558 -2.098 5 HA3 GLY 1 HA2 GLY 1 17.682 15.521 -3.527 6 HA PRO 2 HA PRO 2 13.740 14.445 -1.048 7 HB2 PRO 2 HB2 PRO 2 13.506 16.593 0.577 8 HB3 PRO 2 HB1 PRO 2 14.380 15.132 1.053 9 HG2 PRO 2 HG2 PRO 2 15.452 17.731 0.029 10 HG3 PRO 2 HG1 PRO 2 16.061 16.710 1.344 11 HD2 PRO 2 HD2 PRO 2 17.138 16.728 -1.160 12 HD3 PRO 2 HD1 PRO 2 17.172 15.309 -0.095 13 H HIS 3 HN HIS 3 13.662 15.171 -3.520 14 HA HIS 3 HA HIS 3 11.715 17.326 -3.627 15 HB2 HIS 3 HB2 HIS 3 13.904 18.439 -4.007 16 HB3 HIS 3 HB1 HIS 3 14.210 17.348 -5.350 17 HD1 HIS 3 HD1 HIS 3 13.633 18.276 -7.568 18 HD2 HIS 3 HD2 HIS 3 11.425 20.049 -4.521 19 HE1 HIS 3 HE1 HIS 3 12.260 20.069 -8.678 20 HE2 HIS 3 HE2 HIS 3 10.835 21.032 -6.839 21 H MET 4 HN MET 4 10.420 17.240 -5.533 22 HA MET 4 HA MET 4 9.428 16.369 -7.374 23 HB2 MET 4 HB2 MET 4 12.007 14.898 -7.502 24 HB3 MET 4 HB1 MET 4 10.655 14.248 -8.414 25 HG2 MET 4 HG2 MET 4 11.684 17.061 -8.655 26 HG3 MET 4 HG1 MET 4 12.125 15.732 -9.726 27 HE1 MET 4 HE1 MET 4 8.699 14.899 -11.444 28 HE2 MET 4 HE2 MET 4 9.271 14.176 -9.943 29 HE3 MET 4 HE3 MET 4 10.397 14.454 -11.271 30 H SER 5 HN SER 5 8.198 14.509 -8.052 31 HA SER 5 HA SER 5 7.904 12.451 -5.992 32 HB2 SER 5 HB2 SER 5 5.427 12.535 -6.432 33 HB3 SER 5 HB1 SER 5 6.066 13.985 -5.659 34 HG SER 5 HG SER 5 5.899 15.085 -7.551 35 H VAL 6 HN VAL 6 7.630 10.416 -6.741 36 HA VAL 6 HA VAL 6 7.525 10.085 -9.670 37 HB VAL 6 HB VAL 6 8.866 7.990 -9.321 38 HG11 VAL 6 HG11 VAL 6 9.922 9.967 -10.191 39 HG12 VAL 6 HG12 VAL 6 11.019 9.189 -9.052 40 HG13 VAL 6 HG13 VAL 6 10.117 10.626 -8.570 41 HG21 VAL 6 HG21 VAL 6 10.207 7.872 -7.235 42 HG22 VAL 6 HG22 VAL 6 8.481 7.617 -6.975 43 HG23 VAL 6 HG23 VAL 6 9.215 9.169 -6.569 44 H GLN 7 HN GLN 7 6.214 8.517 -10.489 45 HA GLN 7 HA GLN 7 4.189 7.511 -8.669 46 HB2 GLN 7 HB2 GLN 7 2.894 6.962 -10.609 47 HB3 GLN 7 HB1 GLN 7 3.558 8.567 -10.847 48 HG2 GLN 7 HG2 GLN 7 4.666 6.042 -12.055 49 HG3 GLN 7 HG1 GLN 7 3.602 7.179 -12.877 50 HE21 GLN 7 HE21 GLN 7 6.804 6.560 -11.740 51 HE22 GLN 7 HE22 GLN 7 7.568 7.900 -12.527 52 H ILE 8 HN ILE 8 3.812 5.358 -8.227 53 HA ILE 8 HA ILE 8 5.964 3.548 -9.100 54 HB ILE 8 HB ILE 8 4.294 3.003 -6.673 55 HG12 ILE 8 HG12 ILE 8 5.150 5.301 -6.367 56 HG13 ILE 8 HG11 ILE 8 5.903 4.171 -5.251 57 HG21 ILE 8 HG21 ILE 8 6.296 1.797 -5.962 58 HG22 ILE 8 HG22 ILE 8 7.146 2.339 -7.409 59 HG23 ILE 8 HG23 ILE 8 5.759 1.256 -7.552 60 HD11 ILE 8 HD11 ILE 8 7.522 5.734 -6.129 61 HD12 ILE 8 HD12 ILE 8 7.126 5.251 -7.779 62 HD13 ILE 8 HD13 ILE 8 7.886 4.099 -6.678 63 HA PRO 9 HA PRO 9 2.563 1.399 -11.094 64 HB2 PRO 9 HB2 PRO 9 4.082 -0.576 -12.176 65 HB3 PRO 9 HB1 PRO 9 3.936 1.035 -12.885 66 HG2 PRO 9 HG2 PRO 9 6.131 -0.110 -11.215 67 HG3 PRO 9 HG1 PRO 9 6.236 0.958 -12.626 68 HD2 PRO 9 HD2 PRO 9 6.496 1.838 -10.060 69 HD3 PRO 9 HD1 PRO 9 5.869 2.849 -11.375 70 H VAL 10 HN VAL 10 1.249 0.010 -10.134 71 HA VAL 10 HA VAL 10 2.201 -1.703 -8.003 72 HB VAL 10 HB VAL 10 -0.593 -1.462 -9.137 73 HG11 VAL 10 HG11 VAL 10 0.441 -2.676 -6.580 74 HG12 VAL 10 HG12 VAL 10 -0.319 -3.519 -7.929 75 HG13 VAL 10 HG13 VAL 10 -1.263 -2.403 -6.943 76 HG21 VAL 10 HG21 VAL 10 0.640 -0.079 -6.763 77 HG22 VAL 10 HG22 VAL 10 -1.061 -0.013 -7.220 78 HG23 VAL 10 HG23 VAL 10 0.167 0.682 -8.280 79 H VAL 11 HN VAL 11 2.519 -3.866 -8.129 80 HA VAL 11 HA VAL 11 1.990 -5.147 -10.712 81 HB VAL 11 HB VAL 11 3.580 -6.223 -8.378 82 HG11 VAL 11 HG11 VAL 11 4.450 -7.819 -9.987 83 HG12 VAL 11 HG12 VAL 11 3.468 -7.094 -11.261 84 HG13 VAL 11 HG13 VAL 11 2.692 -7.915 -9.909 85 HG21 VAL 11 HG21 VAL 11 4.568 -4.858 -10.882 86 HG22 VAL 11 HG22 VAL 11 5.577 -5.603 -9.642 87 HG23 VAL 11 HG23 VAL 11 4.608 -4.183 -9.254 88 H GLU 12 HN GLU 12 0.052 -6.075 -10.850 89 HA GLU 12 HA GLU 12 -1.318 -7.025 -8.477 90 HB2 GLU 12 HB2 GLU 12 -2.148 -6.950 -11.381 91 HB3 GLU 12 HB1 GLU 12 -3.173 -7.523 -10.074 92 HG2 GLU 12 HG2 GLU 12 -3.106 -5.322 -9.040 93 HG3 GLU 12 HG1 GLU 12 -2.052 -4.743 -10.330 94 H VAL 13 HN VAL 13 -0.543 -8.874 -7.733 95 HA VAL 13 HA VAL 13 -0.293 -11.140 -9.596 96 HB VAL 13 HB VAL 13 1.413 -12.046 -7.942 97 HG11 VAL 13 HG11 VAL 13 2.125 -11.275 -10.086 98 HG12 VAL 13 HG12 VAL 13 3.251 -10.642 -8.884 99 HG13 VAL 13 HG13 VAL 13 2.013 -9.595 -9.574 100 HG21 VAL 13 HG21 VAL 13 0.923 -10.563 -6.078 101 HG22 VAL 13 HG22 VAL 13 1.407 -9.167 -7.041 102 HG23 VAL 13 HG23 VAL 13 2.604 -10.379 -6.583 103 H ASP 14 HN ASP 14 -0.080 -13.236 -8.028 104 HA ASP 14 HA ASP 14 -2.605 -13.286 -6.554 105 HB2 ASP 14 HB2 ASP 14 -2.184 -15.024 -8.273 106 HB3 ASP 14 HB1 ASP 14 -0.760 -15.546 -7.384 107 H GLU 15 HN GLU 15 0.817 -13.519 -6.187 108 HA GLU 15 HA GLU 15 0.690 -13.196 -3.350 109 HB2 GLU 15 HB2 GLU 15 1.913 -15.264 -2.790 110 HB3 GLU 15 HB1 GLU 15 0.327 -15.605 -3.473 111 HG2 GLU 15 HG2 GLU 15 1.293 -16.176 -5.587 112 HG3 GLU 15 HG1 GLU 15 2.892 -15.685 -5.032 113 H LEU 16 HN LEU 16 2.942 -13.010 -2.442 114 HA LEU 16 HA LEU 16 4.558 -11.571 -4.333 115 HB2 LEU 16 HB2 LEU 16 5.104 -12.148 -1.423 116 HB3 LEU 16 HB1 LEU 16 5.946 -10.987 -2.425 117 HG LEU 16 HG LEU 16 4.570 -9.591 -1.283 118 HD11 LEU 16 HD11 LEU 16 2.665 -8.930 -2.640 119 HD12 LEU 16 HD12 LEU 16 2.775 -10.446 -3.532 120 HD13 LEU 16 HD13 LEU 16 4.084 -9.266 -3.632 121 HD21 LEU 16 HD21 LEU 16 3.491 -11.249 0.062 122 HD22 LEU 16 HD22 LEU 16 2.455 -11.720 -1.284 123 HD23 LEU 16 HD23 LEU 16 2.291 -10.119 -0.560 124 HA PRO 17 HA PRO 17 7.512 -14.674 -5.534 125 HB2 PRO 17 HB2 PRO 17 9.405 -12.429 -5.009 126 HB3 PRO 17 HB1 PRO 17 9.263 -13.469 -6.424 127 HG2 PRO 17 HG2 PRO 17 8.341 -10.977 -6.477 128 HG3 PRO 17 HG1 PRO 17 7.459 -12.291 -7.275 129 HD2 PRO 17 HD2 PRO 17 6.845 -10.880 -4.723 130 HD3 PRO 17 HD1 PRO 17 5.749 -11.576 -5.927 131 H GLU 18 HN GLU 18 9.584 -15.596 -4.783 132 HA GLU 18 HA GLU 18 9.625 -16.075 -1.997 133 HB2 GLU 18 HB2 GLU 18 11.679 -17.313 -2.407 134 HB3 GLU 18 HB1 GLU 18 10.493 -17.696 -3.645 135 HG2 GLU 18 HG2 GLU 18 11.620 -16.387 -5.261 136 HG3 GLU 18 HG1 GLU 18 12.662 -15.656 -4.038 137 H GLY 19 HN GLY 19 10.959 -15.273 -0.398 138 HA2 GLY 19 HA2 GLY 19 12.720 -13.896 0.423 139 HA3 GLY 19 HA1 GLY 19 12.754 -13.066 -1.129 140 H TYR 20 HN TYR 20 9.616 -13.335 -0.623 141 HA TYR 20 HA TYR 20 9.412 -10.797 0.824 142 HB2 TYR 20 HB2 TYR 20 7.563 -12.254 -1.045 143 HB3 TYR 20 HB1 TYR 20 6.979 -10.963 -0.002 144 HD1 TYR 20 HD2 TYR 20 7.791 -8.670 -0.301 145 HD2 TYR 20 HD1 TYR 20 8.870 -11.773 -3.008 146 HE1 TYR 20 HE2 TYR 20 8.474 -6.985 -1.945 147 HE2 TYR 20 HE1 TYR 20 9.554 -10.093 -4.661 148 HH TYR 20 HH TYR 20 9.178 -7.790 -5.210 149 H ASP 21 HN ASP 21 7.470 -10.611 2.295 150 HA ASP 21 HA ASP 21 7.110 -13.146 3.737 151 HB2 ASP 21 HB2 ASP 21 8.723 -11.689 4.917 152 HB3 ASP 21 HB1 ASP 21 7.489 -10.432 5.015 153 H ARG 22 HN ARG 22 5.089 -13.520 2.909 154 HA ARG 22 HA ARG 22 2.993 -11.618 3.678 155 HB2 ARG 22 HB2 ARG 22 2.987 -12.538 1.349 156 HB3 ARG 22 HB1 ARG 22 2.750 -14.142 2.025 157 HG2 ARG 22 HG2 ARG 22 0.611 -13.572 2.860 158 HG3 ARG 22 HG1 ARG 22 0.865 -11.860 2.521 159 HD2 ARG 22 HD2 ARG 22 -0.574 -12.750 0.844 160 HD3 ARG 22 HD1 ARG 22 0.985 -12.417 0.106 161 HE ARG 22 HE ARG 22 1.408 -14.879 0.394 162 HH11 ARG 22 HH11 ARG 22 -1.836 -13.578 0.029 163 HH12 ARG 22 HH12 ARG 22 -2.475 -15.047 -0.643 164 HH21 ARG 22 HH21 ARG 22 0.550 -16.812 -0.456 165 HH22 ARG 22 HH22 ARG 22 -1.124 -16.884 -0.906 166 H SER 23 HN SER 23 1.267 -12.317 5.010 167 HA SER 23 HA SER 23 0.412 -13.284 6.874 168 HB2 SER 23 HB2 SER 23 0.182 -15.240 5.359 169 HB3 SER 23 HB1 SER 23 1.781 -15.787 5.853 170 HG SER 23 HG SER 23 1.024 -16.351 7.785 171 H2 PRO 24 HT1 PRO 24 -21.973 12.670 9.246 172 H3 PRO 24 HT2 PRO 24 -20.764 13.684 8.819 173 HA PRO 24 HA PRO 24 -21.212 13.387 6.795 174 HB2 PRO 24 HB2 PRO 24 -21.015 10.476 6.616 175 HB3 PRO 24 HB1 PRO 24 -20.022 11.720 5.844 176 HG2 PRO 24 HG2 PRO 24 -19.100 10.203 7.877 177 HG3 PRO 24 HG1 PRO 24 -18.589 11.882 7.629 178 HD2 PRO 24 HD2 PRO 24 -20.603 10.778 9.563 179 HD3 PRO 24 HD1 PRO 24 -19.359 12.013 9.825 180 H HIS 25 HN HIS 25 -22.722 12.263 5.184 181 HA HIS 25 HA HIS 25 -24.906 10.760 6.271 182 HB2 HIS 25 HB2 HIS 25 -26.684 12.366 5.850 183 HB3 HIS 25 HB1 HIS 25 -25.541 13.046 6.999 184 HD1 HIS 25 HD1 HIS 25 -27.209 13.736 3.830 185 HD2 HIS 25 HD2 HIS 25 -23.801 15.066 5.802 186 HE1 HIS 25 HE1 HIS 25 -26.560 15.879 2.687 187 HE2 HIS 25 HE2 HIS 25 -24.432 16.604 3.822 188 H GLU 26 HN GLU 26 -26.171 9.818 4.688 189 HA GLU 26 HA GLU 26 -26.648 8.916 2.667 190 HB2 GLU 26 HB2 GLU 26 -27.272 11.315 2.192 191 HB3 GLU 26 HB1 GLU 26 -25.680 11.516 1.472 192 HG2 GLU 26 HG2 GLU 26 -26.246 9.657 -0.091 193 HG3 GLU 26 HG1 GLU 26 -27.885 9.697 0.551 194 H GLN 27 HN GLN 27 -24.802 7.539 3.208 195 HA GLN 27 HA GLN 27 -22.507 7.968 1.418 196 HB2 GLN 27 HB2 GLN 27 -21.158 6.730 3.077 197 HB3 GLN 27 HB1 GLN 27 -21.823 8.219 3.729 198 HG2 GLN 27 HG2 GLN 27 -23.603 6.915 4.818 199 HG3 GLN 27 HG1 GLN 27 -22.867 5.436 4.205 200 HE21 GLN 27 HE21 GLN 27 -22.504 4.630 6.260 201 HE22 GLN 27 HE22 GLN 27 -21.284 5.270 7.303 202 H GLN 28 HN GLN 28 -21.627 6.151 0.406 203 HA GLN 28 HA GLN 28 -23.543 4.062 -0.140 204 HB2 GLN 28 HB2 GLN 28 -20.833 4.737 -1.268 205 HB3 GLN 28 HB1 GLN 28 -21.685 3.269 -1.715 206 HG2 GLN 28 HG2 GLN 28 -22.099 4.876 -3.402 207 HG3 GLN 28 HG1 GLN 28 -23.584 4.690 -2.473 208 HE21 GLN 28 HE21 GLN 28 -24.338 6.697 -3.155 209 HE22 GLN 28 HE22 GLN 28 -23.693 8.178 -2.537 210 H GLU 29 HN GLU 29 -22.979 1.805 -0.099 211 HA GLU 29 HA GLU 29 -21.449 1.162 2.320 212 HB2 GLU 29 HB2 GLU 29 -22.669 -0.949 2.307 213 HB3 GLU 29 HB1 GLU 29 -23.784 0.404 2.183 214 HG2 GLU 29 HG2 GLU 29 -23.776 0.026 -0.306 215 HG3 GLU 29 HG1 GLU 29 -22.926 -1.483 0.017 216 H ASP 30 HN ASP 30 -21.057 1.215 -0.959 217 HA ASP 30 HA ASP 30 -19.321 -1.122 -1.118 218 HB2 ASP 30 HB2 ASP 30 -19.823 0.920 -3.286 219 HB3 ASP 30 HB1 ASP 30 -19.185 -0.711 -3.465 220 H VAL 31 HN VAL 31 -19.009 1.833 0.092 221 HA VAL 31 HA VAL 31 -16.607 2.814 -1.014 222 HB VAL 31 HB VAL 31 -17.748 3.254 1.755 223 HG11 VAL 31 HG11 VAL 31 -16.360 5.269 1.803 224 HG12 VAL 31 HG12 VAL 31 -15.667 4.830 0.241 225 HG13 VAL 31 HG13 VAL 31 -15.374 3.814 1.653 226 HG21 VAL 31 HG21 VAL 31 -18.009 4.900 -0.760 227 HG22 VAL 31 HG22 VAL 31 -18.624 5.346 0.832 228 HG23 VAL 31 HG23 VAL 31 -19.285 3.943 -0.007 229 HA PRO 32 HA PRO 32 -14.044 -0.462 0.559 230 HB2 PRO 32 HB2 PRO 32 -11.669 0.718 -0.212 231 HB3 PRO 32 HB1 PRO 32 -12.676 -0.310 -1.239 232 HG2 PRO 32 HG2 PRO 32 -12.437 2.651 -1.171 233 HG3 PRO 32 HG1 PRO 32 -12.742 1.577 -2.545 234 HD2 PRO 32 HD2 PRO 32 -14.679 3.076 -1.348 235 HD3 PRO 32 HD1 PRO 32 -15.009 1.536 -2.164 236 H GLU 33 HN GLU 33 -13.341 -0.756 2.527 237 HA GLU 33 HA GLU 33 -12.295 1.511 4.060 238 HB2 GLU 33 HB2 GLU 33 -14.354 0.537 4.998 239 HB3 GLU 33 HB1 GLU 33 -13.588 -1.047 5.042 240 HG2 GLU 33 HG2 GLU 33 -11.901 -0.132 6.590 241 HG3 GLU 33 HG1 GLU 33 -12.792 1.385 6.622 242 H TYR 34 HN TYR 34 -10.150 1.409 3.777 243 HA TYR 34 HA TYR 34 -8.773 -1.136 3.749 244 HB2 TYR 34 HB2 TYR 34 -7.733 1.689 3.555 245 HB3 TYR 34 HB1 TYR 34 -6.749 0.240 3.375 246 HD1 TYR 34 HD1 TYR 34 -7.492 -1.420 1.519 247 HD2 TYR 34 HD2 TYR 34 -8.712 2.649 1.687 248 HE1 TYR 34 HE1 TYR 34 -8.028 -1.491 -0.876 249 HE2 TYR 34 HE2 TYR 34 -9.253 2.594 -0.707 250 HH TYR 34 HH TYR 34 -9.435 -0.309 -2.478 251 H GLU 35 HN GLU 35 -7.047 -1.670 5.135 252 HA GLU 35 HA GLU 35 -6.964 -0.234 7.694 253 HB2 GLU 35 HB2 GLU 35 -8.230 -2.393 7.884 254 HB3 GLU 35 HB1 GLU 35 -6.775 -3.239 7.383 255 HG2 GLU 35 HG2 GLU 35 -5.605 -2.354 9.357 256 HG3 GLU 35 HG1 GLU 35 -7.098 -1.569 9.867 257 H VAL 36 HN VAL 36 -5.019 0.536 8.013 258 HA VAL 36 HA VAL 36 -2.764 -0.467 6.460 259 HB VAL 36 HB VAL 36 -2.988 2.015 8.174 260 HG11 VAL 36 HG11 VAL 36 -0.934 2.738 7.068 261 HG12 VAL 36 HG12 VAL 36 -0.849 1.200 6.208 262 HG13 VAL 36 HG13 VAL 36 -0.681 1.238 7.962 263 HG21 VAL 36 HG21 VAL 36 -3.143 3.228 6.054 264 HG22 VAL 36 HG22 VAL 36 -4.481 2.096 6.250 265 HG23 VAL 36 HG23 VAL 36 -3.139 1.697 5.178 266 H LYS 37 HN LYS 37 -1.069 -1.510 7.302 267 HA LYS 37 HA LYS 37 -0.697 -1.515 10.226 268 HB2 LYS 37 HB2 LYS 37 -0.160 -3.895 8.430 269 HB3 LYS 37 HB1 LYS 37 -0.026 -3.840 10.176 270 HG2 LYS 37 HG2 LYS 37 -1.990 -5.017 9.790 271 HG3 LYS 37 HG1 LYS 37 -2.548 -3.387 10.171 272 HD2 LYS 37 HD2 LYS 37 -2.954 -2.901 7.884 273 HD3 LYS 37 HD1 LYS 37 -2.117 -4.355 7.357 274 HE2 LYS 37 HE2 LYS 37 -4.678 -4.284 8.936 275 HE3 LYS 37 HE1 LYS 37 -4.556 -4.563 7.201 276 HZ1 LYS 37 HZ1 LYS 37 -4.758 -6.655 8.217 277 HZ2 LYS 37 HZ2 LYS 37 -3.583 -6.307 9.387 278 HZ3 LYS 37 HZ3 LYS 37 -3.131 -6.523 7.771 279 H MET 38 HN MET 38 1.503 -1.492 10.874 280 HA MET 38 HA MET 38 3.412 -1.117 8.660 281 HB2 MET 38 HB2 MET 38 2.559 0.933 10.179 282 HB3 MET 38 HB1 MET 38 3.896 0.362 11.170 283 HG2 MET 38 HG2 MET 38 5.467 0.785 9.529 284 HG3 MET 38 HG1 MET 38 4.262 0.855 8.250 285 HE1 MET 38 HE1 MET 38 4.053 2.911 7.103 286 HE2 MET 38 HE2 MET 38 5.759 3.076 7.525 287 HE3 MET 38 HE3 MET 38 4.676 4.458 7.685 288 H LYS 39 HN LYS 39 5.432 -2.018 8.915 289 HA LYS 39 HA LYS 39 5.974 -3.456 11.422 290 HB2 LYS 39 HB2 LYS 39 4.661 -4.801 9.556 291 HB3 LYS 39 HB1 LYS 39 6.255 -4.944 8.838 292 HG2 LYS 39 HG2 LYS 39 5.654 -5.787 11.658 293 HG3 LYS 39 HG1 LYS 39 5.491 -6.865 10.274 294 HD2 LYS 39 HD2 LYS 39 7.874 -6.479 9.743 295 HD3 LYS 39 HD1 LYS 39 8.011 -5.482 11.191 296 HE2 LYS 39 HE2 LYS 39 7.245 -8.400 11.121 297 HE3 LYS 39 HE1 LYS 39 8.824 -7.762 11.573 298 HZ1 LYS 39 HZ1 LYS 39 7.539 -8.263 13.528 299 HZ2 LYS 39 HZ2 LYS 39 6.265 -7.282 13.003 300 HZ3 LYS 39 HZ3 LYS 39 7.753 -6.589 13.418 301 H ARG 40 HN ARG 40 8.117 -3.549 11.898 302 HA ARG 40 HA ARG 40 9.948 -2.312 9.975 303 HB2 ARG 40 HB2 ARG 40 10.018 -2.642 12.961 304 HB3 ARG 40 HB1 ARG 40 11.489 -2.294 12.067 305 HG2 ARG 40 HG2 ARG 40 10.611 -0.241 12.905 306 HG3 ARG 40 HG1 ARG 40 10.388 -0.261 11.155 307 HD2 ARG 40 HD2 ARG 40 8.047 -1.052 11.559 308 HD3 ARG 40 HD1 ARG 40 8.311 -0.764 13.278 309 HE ARG 40 HE ARG 40 8.947 1.547 11.761 310 HH11 ARG 40 HH11 ARG 40 6.241 -0.276 13.032 311 HH12 ARG 40 HH12 ARG 40 5.162 1.082 13.032 312 HH21 ARG 40 HH21 ARG 40 7.516 3.333 11.735 313 HH22 ARG 40 HH22 ARG 40 5.885 3.131 12.288 314 H PHE 41 HN PHE 41 11.586 -3.370 9.069 315 HA PHE 41 HA PHE 41 12.172 -6.103 10.019 316 HB2 PHE 41 HB2 PHE 41 12.082 -4.996 7.218 317 HB3 PHE 41 HB1 PHE 41 12.986 -6.454 7.602 318 HD1 PHE 41 HD1 PHE 41 9.593 -4.966 7.724 319 HD2 PHE 41 HD2 PHE 41 11.937 -8.512 7.714 320 HE1 PHE 41 HE1 PHE 41 7.549 -6.312 7.479 321 HE2 PHE 41 HE2 PHE 41 9.897 -9.868 7.473 322 HZ PHE 41 HZ PHE 41 7.698 -8.766 7.353 323 H LYS 42 HN LYS 42 14.323 -6.789 9.972 324 HA LYS 42 HA LYS 42 16.359 -4.736 9.451 325 HB2 LYS 42 HB2 LYS 42 16.287 -6.551 11.874 326 HB3 LYS 42 HB1 LYS 42 17.593 -5.455 11.460 327 HG2 LYS 42 HG2 LYS 42 14.781 -4.591 12.088 328 HG3 LYS 42 HG1 LYS 42 16.106 -4.618 13.249 329 HD2 LYS 42 HD2 LYS 42 17.350 -3.034 11.828 330 HD3 LYS 42 HD1 LYS 42 15.982 -2.985 10.713 331 HE2 LYS 42 HE2 LYS 42 14.557 -2.118 12.501 332 HE3 LYS 42 HE1 LYS 42 15.917 -2.177 13.619 333 HZ1 LYS 42 HZ1 LYS 42 15.705 -0.481 11.194 334 HZ2 LYS 42 HZ2 LYS 42 17.078 -0.586 12.177 335 HZ3 LYS 42 HZ3 LYS 42 15.639 0.042 12.801 336 H GLY 43 HN GLY 43 17.782 -5.504 8.019 337 HA2 GLY 43 HA2 GLY 43 19.319 -6.981 7.097 338 HA3 GLY 43 HA1 GLY 43 18.810 -8.192 8.262 339 H ALA 44 HN ALA 44 16.463 -6.568 6.287 340 HA ALA 44 HA ALA 44 16.207 -9.002 4.650 341 HB1 ALA 44 HB1 ALA 44 13.807 -8.607 4.554 342 HB2 ALA 44 HB2 ALA 44 13.989 -7.172 5.563 343 HB3 ALA 44 HB3 ALA 44 14.344 -8.767 6.226 344 H ALA 45 HN ALA 45 14.976 -8.512 2.551 345 HA ALA 45 HA ALA 45 16.341 -6.553 1.063 346 HB1 ALA 45 HB1 ALA 45 14.763 -7.070 -0.729 347 HB2 ALA 45 HB2 ALA 45 13.736 -7.931 0.418 348 HB3 ALA 45 HB3 ALA 45 15.348 -8.543 0.047 349 H TYR 46 HN TYR 46 13.632 -6.381 3.112 350 HA TYR 46 HA TYR 46 13.145 -3.617 2.292 351 HB2 TYR 46 HB2 TYR 46 10.745 -4.222 3.299 352 HB3 TYR 46 HB1 TYR 46 11.129 -4.485 1.599 353 HD1 TYR 46 HD1 TYR 46 11.006 -6.202 4.896 354 HD2 TYR 46 HD2 TYR 46 10.971 -6.617 0.662 355 HE1 TYR 46 HE1 TYR 46 10.487 -8.591 5.142 356 HE2 TYR 46 HE2 TYR 46 10.453 -9.009 0.896 357 HH TYR 46 HH TYR 46 9.556 -10.405 3.917 358 H LYS 47 HN LYS 47 12.867 -2.181 3.970 359 HA LYS 47 HA LYS 47 13.799 -3.204 6.569 360 HB2 LYS 47 HB2 LYS 47 13.843 -0.395 5.434 361 HB3 LYS 47 HB1 LYS 47 14.381 -0.825 7.045 362 HG2 LYS 47 HG2 LYS 47 16.311 -0.590 5.683 363 HG3 LYS 47 HG1 LYS 47 16.099 -2.309 6.002 364 HD2 LYS 47 HD2 LYS 47 16.708 -1.959 3.681 365 HD3 LYS 47 HD1 LYS 47 15.058 -2.573 3.785 366 HE2 LYS 47 HE2 LYS 47 14.280 -0.182 3.609 367 HE3 LYS 47 HE1 LYS 47 15.946 0.253 3.238 368 HZ1 LYS 47 HZ1 LYS 47 15.831 -1.304 1.350 369 HZ2 LYS 47 HZ2 LYS 47 14.723 -0.032 1.212 370 HZ3 LYS 47 HZ3 LYS 47 14.191 -1.569 1.681 371 H LEU 48 HN LEU 48 11.202 -1.789 4.894 372 HA LEU 48 HA LEU 48 9.634 -1.713 7.365 373 HB2 LEU 48 HB2 LEU 48 10.570 0.587 6.274 374 HB3 LEU 48 HB1 LEU 48 9.066 0.418 5.392 375 HG LEU 48 HG LEU 48 8.829 1.863 7.364 376 HD11 LEU 48 HD11 LEU 48 7.340 -0.733 7.677 377 HD12 LEU 48 HD12 LEU 48 6.904 0.570 6.573 378 HD13 LEU 48 HD13 LEU 48 6.864 0.840 8.312 379 HD21 LEU 48 HD21 LEU 48 9.002 0.989 9.593 380 HD22 LEU 48 HD22 LEU 48 10.535 0.743 8.753 381 HD23 LEU 48 HD23 LEU 48 9.420 -0.607 8.975 382 H ARG 49 HN ARG 49 7.744 -2.717 7.132 383 HA ARG 49 HA ARG 49 6.726 -3.157 4.401 384 HB2 ARG 49 HB2 ARG 49 7.460 -5.217 5.665 385 HB3 ARG 49 HB1 ARG 49 6.185 -4.878 6.826 386 HG2 ARG 49 HG2 ARG 49 4.562 -4.986 4.908 387 HG3 ARG 49 HG1 ARG 49 5.891 -5.602 3.926 388 HD2 ARG 49 HD2 ARG 49 4.685 -7.489 4.720 389 HD3 ARG 49 HD1 ARG 49 6.186 -7.414 5.643 390 HE ARG 49 HE ARG 49 4.196 -6.026 7.050 391 HH11 ARG 49 HH11 ARG 49 4.981 -9.313 6.111 392 HH12 ARG 49 HH12 ARG 49 4.176 -10.022 7.471 393 HH21 ARG 49 HH21 ARG 49 3.128 -6.967 8.833 394 HH22 ARG 49 HH22 ARG 49 3.107 -8.695 9.009 395 H ILE 50 HN ILE 50 4.781 -2.341 3.959 396 HA ILE 50 HA ILE 50 3.057 -1.555 6.227 397 HB ILE 50 HB ILE 50 3.194 -0.091 3.572 398 HG12 ILE 50 HG12 ILE 50 4.087 1.817 4.999 399 HG13 ILE 50 HG11 ILE 50 4.389 0.624 6.254 400 HG21 ILE 50 HG21 ILE 50 1.018 -0.072 4.735 401 HG22 ILE 50 HG22 ILE 50 1.747 1.529 4.621 402 HG23 ILE 50 HG23 ILE 50 1.807 0.641 6.143 403 HD11 ILE 50 HD11 ILE 50 5.570 0.434 3.502 404 HD12 ILE 50 HD12 ILE 50 6.026 -0.458 4.961 405 HD13 ILE 50 HD13 ILE 50 6.351 1.273 4.843 406 H LEU 51 HN LEU 51 1.035 -2.320 6.148 407 HA LEU 51 HA LEU 51 0.293 -3.809 3.725 408 HB2 LEU 51 HB2 LEU 51 0.396 -4.610 6.517 409 HB3 LEU 51 HB1 LEU 51 -1.188 -4.875 5.816 410 HG LEU 51 HG LEU 51 0.208 -6.874 5.660 411 HD11 LEU 51 HD11 LEU 51 -1.497 -6.475 3.976 412 HD12 LEU 51 HD12 LEU 51 -0.102 -7.297 3.278 413 HD13 LEU 51 HD13 LEU 51 -0.339 -5.573 3.000 414 HD21 LEU 51 HD21 LEU 51 2.147 -6.905 4.162 415 HD22 LEU 51 HD22 LEU 51 2.397 -5.828 5.535 416 HD23 LEU 51 HD23 LEU 51 2.005 -5.160 3.952 417 H ILE 52 HN ILE 52 -1.424 -3.081 2.722 418 HA ILE 52 HA ILE 52 -3.500 -1.730 4.312 419 HB ILE 52 HB ILE 52 -2.758 -1.015 1.468 420 HG12 ILE 52 HG12 ILE 52 -2.204 1.236 2.787 421 HG13 ILE 52 HG11 ILE 52 -1.886 0.098 4.097 422 HG21 ILE 52 HG21 ILE 52 -4.279 0.862 1.782 423 HG22 ILE 52 HG22 ILE 52 -4.639 0.305 3.416 424 HG23 ILE 52 HG23 ILE 52 -5.111 -0.674 2.028 425 HD11 ILE 52 HD11 ILE 52 -0.583 0.053 1.386 426 HD12 ILE 52 HD12 ILE 52 -0.255 -1.054 2.720 427 HD13 ILE 52 HD13 ILE 52 0.138 0.658 2.876 428 H GLU 53 HN GLU 53 -5.050 -3.242 4.431 429 HA GLU 53 HA GLU 53 -5.711 -4.709 1.970 430 HB2 GLU 53 HB2 GLU 53 -6.581 -6.475 3.298 431 HB3 GLU 53 HB1 GLU 53 -5.031 -6.039 4.003 432 HG2 GLU 53 HG2 GLU 53 -6.181 -4.743 5.717 433 HG3 GLU 53 HG1 GLU 53 -7.732 -5.188 5.015 434 H ASN 54 HN ASN 54 -7.909 -5.041 1.465 435 HA ASN 54 HA ASN 54 -9.593 -2.790 2.286 436 HB2 ASN 54 HB2 ASN 54 -9.071 -3.448 -0.185 437 HB3 ASN 54 HB1 ASN 54 -10.251 -4.722 0.084 438 HD21 ASN 54 HD21 ASN 54 -11.877 -3.019 1.874 439 HD22 ASN 54 HD22 ASN 54 -12.700 -1.927 0.820 440 H LYS 55 HN LYS 55 -10.914 -3.203 3.915 441 HA LYS 55 HA LYS 55 -12.453 -5.698 3.873 442 HB2 LYS 55 HB2 LYS 55 -12.258 -5.600 6.448 443 HB3 LYS 55 HB1 LYS 55 -10.890 -6.218 5.531 444 HG2 LYS 55 HG2 LYS 55 -9.851 -3.964 5.672 445 HG3 LYS 55 HG1 LYS 55 -11.177 -3.468 6.723 446 HD2 LYS 55 HD2 LYS 55 -9.300 -5.758 7.292 447 HD3 LYS 55 HD1 LYS 55 -9.126 -4.133 7.951 448 HE2 LYS 55 HE2 LYS 55 -11.356 -4.358 8.986 449 HE3 LYS 55 HE1 LYS 55 -11.436 -6.016 8.392 450 HZ1 LYS 55 HZ1 LYS 55 -9.491 -6.554 9.703 451 HZ2 LYS 55 HZ2 LYS 55 -10.697 -5.911 10.699 452 HZ3 LYS 55 HZ3 LYS 55 -9.371 -4.955 10.250 453 H ALA 56 HN ALA 56 -14.241 -4.694 3.132 454 HA ALA 56 HA ALA 56 -15.611 -2.875 4.982 455 HB1 ALA 56 HB1 ALA 56 -15.156 -2.473 2.030 456 HB2 ALA 56 HB2 ALA 56 -14.768 -1.372 3.357 457 HB3 ALA 56 HB3 ALA 56 -16.449 -1.654 2.901 458 HA PRO 57 HA PRO 57 -19.255 -5.371 4.355 459 HB2 PRO 57 HB2 PRO 57 -21.095 -3.594 3.256 460 HB3 PRO 57 HB1 PRO 57 -20.809 -3.831 4.981 461 HG2 PRO 57 HG2 PRO 57 -19.747 -1.726 3.152 462 HG3 PRO 57 HG1 PRO 57 -20.278 -1.586 4.840 463 HD2 PRO 57 HD2 PRO 57 -17.686 -1.632 4.226 464 HD3 PRO 57 HD1 PRO 57 -18.293 -2.472 5.656 465 H ASN 58 HN ASN 58 -18.672 -3.133 1.701 466 HA ASN 58 HA ASN 58 -18.873 -5.374 -0.180 467 HB2 ASN 58 HB2 ASN 58 -20.225 -2.691 -0.552 468 HB3 ASN 58 HB1 ASN 58 -20.117 -3.944 -1.784 469 HD21 ASN 58 HD21 ASN 58 -21.481 -3.054 1.285 470 HD22 ASN 58 HD22 ASN 58 -22.756 -4.221 1.287 471 H SER 59 HN SER 59 -16.566 -5.221 -0.024 472 HA SER 59 HA SER 59 -15.235 -2.785 -0.717 473 HB2 SER 59 HB2 SER 59 -14.012 -5.547 -0.685 474 HB3 SER 59 HB1 SER 59 -13.211 -4.003 -0.402 475 HG SER 59 HG SER 59 -14.940 -5.452 1.287 476 H LYS 60 HN LYS 60 -15.231 -2.020 -2.670 477 HA LYS 60 HA LYS 60 -14.786 -3.847 -4.923 478 HB2 LYS 60 HB2 LYS 60 -16.800 -1.610 -4.722 479 HB3 LYS 60 HB1 LYS 60 -16.360 -2.384 -6.241 480 HG2 LYS 60 HG2 LYS 60 -17.224 -4.491 -5.472 481 HG3 LYS 60 HG1 LYS 60 -17.522 -3.824 -3.866 482 HD2 LYS 60 HD2 LYS 60 -19.136 -2.245 -4.849 483 HD3 LYS 60 HD1 LYS 60 -18.862 -2.973 -6.432 484 HE2 LYS 60 HE2 LYS 60 -19.734 -5.077 -5.680 485 HE3 LYS 60 HE1 LYS 60 -19.843 -4.489 -4.021 486 HZ1 LYS 60 HZ1 LYS 60 -21.993 -4.469 -5.130 487 HZ2 LYS 60 HZ2 LYS 60 -21.393 -3.431 -6.321 488 HZ3 LYS 60 HZ3 LYS 60 -21.509 -2.898 -4.715 489 HA PRO 61 HA PRO 61 -11.811 -0.266 -5.145 490 HB2 PRO 61 HB2 PRO 61 -9.580 -1.785 -5.396 491 HB3 PRO 61 HB1 PRO 61 -10.217 -1.270 -3.833 492 HG2 PRO 61 HG2 PRO 61 -10.491 -3.902 -5.219 493 HG3 PRO 61 HG1 PRO 61 -10.212 -3.567 -3.501 494 HD2 PRO 61 HD2 PRO 61 -12.647 -4.226 -4.528 495 HD3 PRO 61 HD1 PRO 61 -12.438 -3.215 -3.086 496 H ASP 62 HN ASP 62 -11.016 0.466 -7.093 497 HA ASP 62 HA ASP 62 -11.539 -1.336 -9.364 498 HB2 ASP 62 HB2 ASP 62 -13.098 0.606 -9.166 499 HB3 ASP 62 HB1 ASP 62 -11.721 1.679 -9.399 500 H ARG 63 HN ARG 63 -9.731 1.728 -8.907 501 HA ARG 63 HA ARG 63 -7.428 0.335 -10.088 502 HB2 ARG 63 HB2 ARG 63 -6.726 2.500 -11.079 503 HB3 ARG 63 HB1 ARG 63 -8.228 1.881 -11.746 504 HG2 ARG 63 HG2 ARG 63 -8.408 3.789 -9.485 505 HG3 ARG 63 HG1 ARG 63 -7.920 4.411 -11.059 506 HD2 ARG 63 HD2 ARG 63 -9.922 3.485 -12.071 507 HD3 ARG 63 HD1 ARG 63 -10.397 2.788 -10.525 508 HE ARG 63 HE ARG 63 -10.038 5.597 -10.316 509 HH11 ARG 63 HH11 ARG 63 -12.239 3.148 -11.512 510 HH12 ARG 63 HH12 ARG 63 -13.650 4.154 -11.331 511 HH21 ARG 63 HH21 ARG 63 -11.901 6.925 -10.080 512 HH22 ARG 63 HH22 ARG 63 -13.456 6.293 -10.521 513 H PHE 64 HN PHE 64 -5.349 1.309 -9.554 514 HA PHE 64 HA PHE 64 -5.315 2.746 -6.994 515 HB2 PHE 64 HB2 PHE 64 -3.774 0.259 -7.736 516 HB3 PHE 64 HB1 PHE 64 -3.210 1.356 -6.481 517 HD1 PHE 64 HD2 PHE 64 -5.950 -0.921 -7.450 518 HD2 PHE 64 HD1 PHE 64 -4.152 1.345 -4.334 519 HE1 PHE 64 HE2 PHE 64 -7.380 -2.060 -5.804 520 HE2 PHE 64 HE1 PHE 64 -5.577 0.210 -2.680 521 HZ PHE 64 HZ PHE 64 -7.195 -1.493 -3.415 522 H SER 65 HN SER 65 -4.043 4.513 -7.076 523 HA SER 65 HA SER 65 -1.923 4.552 -9.112 524 HB2 SER 65 HB2 SER 65 -3.752 6.881 -8.472 525 HB3 SER 65 HB1 SER 65 -2.475 6.848 -9.690 526 HG SER 65 HG SER 65 -3.923 4.817 -10.303 527 HA PRO 66 HA PRO 66 -0.200 5.872 -5.080 528 HB2 PRO 66 HB2 PRO 66 1.738 4.038 -4.877 529 HB3 PRO 66 HB1 PRO 66 0.067 3.665 -4.437 530 HG2 PRO 66 HG2 PRO 66 1.580 2.955 -6.904 531 HG3 PRO 66 HG1 PRO 66 0.404 1.994 -5.993 532 HD2 PRO 66 HD2 PRO 66 -0.140 3.416 -8.313 533 HD3 PRO 66 HD1 PRO 66 -1.353 2.879 -7.135 534 H SER 67 HN SER 67 1.754 6.903 -4.657 535 HA SER 67 HA SER 67 3.891 6.951 -6.546 536 HB2 SER 67 HB2 SER 67 3.751 9.307 -7.195 537 HB3 SER 67 HB1 SER 67 2.317 8.435 -7.734 538 HG SER 67 HG SER 67 1.382 10.080 -6.787 539 H TYR 68 HN TYR 68 5.729 7.738 -5.678 540 HA TYR 68 HA TYR 68 5.542 8.494 -2.851 541 HB2 TYR 68 HB2 TYR 68 6.816 6.491 -3.100 542 HB3 TYR 68 HB1 TYR 68 7.740 7.170 -4.437 543 HD1 TYR 68 HD2 TYR 68 7.053 7.694 -0.810 544 HD2 TYR 68 HD1 TYR 68 9.800 8.141 -4.033 545 HE1 TYR 68 HE2 TYR 68 8.769 8.491 0.767 546 HE2 TYR 68 HE1 TYR 68 11.512 8.953 -2.466 547 HH TYR 68 HH TYR 68 11.644 9.995 -0.262 548 H ASN 69 HN ASN 69 6.106 10.452 -2.258 549 HA ASN 69 HA ASN 69 7.574 12.110 -4.189 550 HB2 ASN 69 HB2 ASN 69 6.233 13.830 -3.619 551 HB3 ASN 69 HB1 ASN 69 5.249 12.620 -2.835 552 HD21 ASN 69 HD21 ASN 69 5.088 12.510 -0.691 553 HD22 ASN 69 HD22 ASN 69 5.781 13.696 0.359 554 H PHE 70 HN PHE 70 9.542 12.858 -3.723 555 HA PHE 70 HA PHE 70 10.876 11.762 -1.416 556 HB2 PHE 70 HB2 PHE 70 11.894 13.645 -3.548 557 HB3 PHE 70 HB1 PHE 70 12.882 12.842 -2.334 558 HD1 PHE 70 HD1 PHE 70 10.814 12.339 -5.328 559 HD2 PHE 70 HD2 PHE 70 13.541 10.578 -2.580 560 HE1 PHE 70 HE1 PHE 70 11.092 10.422 -6.836 561 HE2 PHE 70 HE2 PHE 70 13.826 8.654 -4.085 562 HZ PHE 70 HZ PHE 70 12.600 8.573 -6.220 563 H ALA 71 HN ALA 71 9.421 14.784 -2.230 564 HA ALA 71 HA ALA 71 11.015 16.493 -0.635 565 HB1 ALA 71 HB1 ALA 71 8.136 16.850 -1.466 566 HB2 ALA 71 HB2 ALA 71 9.547 17.324 -2.411 567 HB3 ALA 71 HB3 ALA 71 9.212 18.115 -0.871 568 H GLU 72 HN GLU 72 7.859 14.993 -0.002 569 HA GLU 72 HA GLU 72 8.217 15.558 2.855 570 HB2 GLU 72 HB2 GLU 72 5.680 14.400 1.850 571 HB3 GLU 72 HB1 GLU 72 5.944 15.636 3.071 572 HG2 GLU 72 HG2 GLU 72 6.344 17.292 1.368 573 HG3 GLU 72 HG1 GLU 72 6.218 16.060 0.111 574 H ASN 73 HN ASN 73 8.633 13.154 0.580 575 HA ASN 73 HA ASN 73 9.232 10.998 0.676 576 HB2 ASN 73 HB2 ASN 73 10.246 10.071 2.753 577 HB3 ASN 73 HB1 ASN 73 10.948 11.595 2.243 578 HD21 ASN 73 HD21 ASN 73 8.840 10.054 4.561 579 HD22 ASN 73 HD22 ASN 73 8.923 11.300 5.757 580 H ILE 74 HN ILE 74 6.640 11.416 0.604 581 HA ILE 74 HA ILE 74 5.513 9.341 2.364 582 HB ILE 74 HB ILE 74 4.247 11.868 1.315 583 HG12 ILE 74 HG12 ILE 74 4.392 10.881 4.153 584 HG13 ILE 74 HG11 ILE 74 5.735 11.750 3.424 585 HG21 ILE 74 HG21 ILE 74 2.905 9.570 2.738 586 HG22 ILE 74 HG22 ILE 74 2.630 10.067 1.068 587 HG23 ILE 74 HG23 ILE 74 2.166 11.134 2.394 588 HD11 ILE 74 HD11 ILE 74 4.244 13.648 3.009 589 HD12 ILE 74 HD12 ILE 74 4.381 13.239 4.720 590 HD13 ILE 74 HD13 ILE 74 2.939 12.775 3.813 591 H LEU 75 HN LEU 75 4.495 7.692 1.465 592 HA LEU 75 HA LEU 75 4.212 7.639 -1.460 593 HB2 LEU 75 HB2 LEU 75 5.712 5.950 -0.467 594 HB3 LEU 75 HB1 LEU 75 4.413 5.392 0.563 595 HG LEU 75 HG LEU 75 5.068 4.021 -1.540 596 HD11 LEU 75 HD11 LEU 75 3.190 3.449 -0.149 597 HD12 LEU 75 HD12 LEU 75 2.735 3.298 -1.847 598 HD13 LEU 75 HD13 LEU 75 2.202 4.695 -0.909 599 HD21 LEU 75 HD21 LEU 75 4.988 5.901 -3.111 600 HD22 LEU 75 HD22 LEU 75 3.261 6.074 -2.801 601 HD23 LEU 75 HD23 LEU 75 3.877 4.608 -3.564 602 H TYR 76 HN TYR 76 2.193 8.326 -1.922 603 HA TYR 76 HA TYR 76 0.002 7.515 -0.172 604 HB2 TYR 76 HB2 TYR 76 -1.038 9.409 -0.804 605 HB3 TYR 76 HB1 TYR 76 0.498 9.872 -1.517 606 HD1 TYR 76 HD1 TYR 76 0.831 9.723 -3.934 607 HD2 TYR 76 HD2 TYR 76 -2.910 8.762 -2.167 608 HE1 TYR 76 HE1 TYR 76 -0.249 9.888 -6.136 609 HE2 TYR 76 HE2 TYR 76 -4.000 8.924 -4.363 610 HH TYR 76 HH TYR 76 -2.346 8.908 -7.231 611 H ILE 77 HN ILE 77 -1.826 6.379 -0.933 612 HA ILE 77 HA ILE 77 -1.060 4.457 -3.005 613 HB ILE 77 HB ILE 77 -3.101 4.299 -0.780 614 HG12 ILE 77 HG12 ILE 77 -0.759 4.075 -0.067 615 HG13 ILE 77 HG11 ILE 77 -1.638 2.564 0.130 616 HG21 ILE 77 HG21 ILE 77 -2.425 2.215 -2.850 617 HG22 ILE 77 HG22 ILE 77 -3.935 3.119 -2.733 618 HG23 ILE 77 HG23 ILE 77 -3.485 1.984 -1.460 619 HD11 ILE 77 HD11 ILE 77 0.572 2.140 -0.725 620 HD12 ILE 77 HD12 ILE 77 0.291 3.235 -2.078 621 HD13 ILE 77 HD13 ILE 77 -0.629 1.736 -1.952 622 H ASN 78 HN ASN 78 -3.914 6.235 -1.894 623 HA ASN 78 HA ASN 78 -4.794 6.702 -4.603 624 HB2 ASN 78 HB2 ASN 78 -6.047 4.627 -2.909 625 HB3 ASN 78 HB1 ASN 78 -7.174 5.789 -3.593 626 HD21 ASN 78 HD21 ASN 78 -7.057 3.017 -4.182 627 HD22 ASN 78 HD22 ASN 78 -6.700 2.858 -5.867 628 H GLY 79 HN GLY 79 -7.136 7.813 -4.330 629 HA2 GLY 79 HA2 GLY 79 -6.633 10.094 -2.661 630 HA3 GLY 79 HA1 GLY 79 -8.044 9.834 -3.677 631 H LYS 80 HN LYS 80 -6.916 7.654 -1.190 632 HA LYS 80 HA LYS 80 -9.308 8.261 0.419 633 HB2 LYS 80 HB2 LYS 80 -8.079 5.515 0.189 634 HB3 LYS 80 HB1 LYS 80 -9.641 5.946 0.864 635 HG2 LYS 80 HG2 LYS 80 -8.875 6.072 -2.044 636 HG3 LYS 80 HG1 LYS 80 -9.867 4.827 -1.286 637 HD2 LYS 80 HD2 LYS 80 -11.485 6.626 -0.643 638 HD3 LYS 80 HD1 LYS 80 -10.529 7.753 -1.606 639 HE2 LYS 80 HE2 LYS 80 -12.408 6.955 -2.906 640 HE3 LYS 80 HE1 LYS 80 -10.905 6.340 -3.591 641 HZ1 LYS 80 HZ1 LYS 80 -11.306 4.220 -2.582 642 HZ2 LYS 80 HZ2 LYS 80 -12.688 4.659 -3.450 643 HZ3 LYS 80 HZ3 LYS 80 -12.669 4.801 -1.764 644 H LEU 81 HN LEU 81 -6.013 7.008 0.323 645 HA LEU 81 HA LEU 81 -5.436 8.151 2.889 646 HB2 LEU 81 HB2 LEU 81 -4.485 5.902 3.713 647 HB3 LEU 81 HB1 LEU 81 -6.193 6.231 3.894 648 HG LEU 81 HG LEU 81 -6.649 4.817 1.905 649 HD11 LEU 81 HD11 LEU 81 -4.927 3.413 0.975 650 HD12 LEU 81 HD12 LEU 81 -3.729 4.088 2.080 651 HD13 LEU 81 HD13 LEU 81 -4.440 5.102 0.823 652 HD21 LEU 81 HD21 LEU 81 -6.830 3.864 4.104 653 HD22 LEU 81 HD22 LEU 81 -5.096 3.547 4.147 654 HD23 LEU 81 HD23 LEU 81 -6.123 2.677 3.008 655 H SER 82 HN SER 82 -3.219 8.195 3.422 656 HA SER 82 HA SER 82 -1.414 7.514 1.201 657 HB2 SER 82 HB2 SER 82 -0.151 9.609 1.730 658 HB3 SER 82 HB1 SER 82 -1.776 9.902 1.110 659 HG SER 82 HG SER 82 -1.534 9.678 3.871 660 H ILE 83 HN ILE 83 0.605 6.736 1.788 661 HA ILE 83 HA ILE 83 0.853 6.038 4.633 662 HB ILE 83 HB ILE 83 2.190 4.772 2.236 663 HG12 ILE 83 HG12 ILE 83 -0.200 4.311 2.227 664 HG13 ILE 83 HG11 ILE 83 0.681 2.857 2.678 665 HG21 ILE 83 HG21 ILE 83 3.521 4.599 4.275 666 HG22 ILE 83 HG22 ILE 83 2.893 3.028 3.782 667 HG23 ILE 83 HG23 ILE 83 2.142 3.896 5.121 668 HD11 ILE 83 HD11 ILE 83 0.141 3.287 5.033 669 HD12 ILE 83 HD12 ILE 83 -1.299 3.100 4.033 670 HD13 ILE 83 HD13 ILE 83 -0.785 4.707 4.546 671 HA PRO 84 HA PRO 84 4.328 8.912 4.331 672 HB2 PRO 84 HB2 PRO 84 4.380 9.608 6.927 673 HB3 PRO 84 HB1 PRO 84 3.208 10.286 5.794 674 HG2 PRO 84 HG2 PRO 84 2.847 8.180 7.862 675 HG3 PRO 84 HG1 PRO 84 1.717 9.433 7.325 676 HD2 PRO 84 HD2 PRO 84 1.681 6.761 6.529 677 HD3 PRO 84 HD1 PRO 84 0.868 8.097 5.693 678 H LEU 85 HN LEU 85 6.395 8.372 4.470 679 HA LEU 85 HA LEU 85 7.087 5.974 5.989 680 HB2 LEU 85 HB2 LEU 85 8.561 7.467 3.817 681 HB3 LEU 85 HB1 LEU 85 9.232 6.096 4.676 682 HG LEU 85 HG LEU 85 8.457 5.217 2.648 683 HD11 LEU 85 HD11 LEU 85 6.633 3.729 3.247 684 HD12 LEU 85 HD12 LEU 85 6.251 4.739 4.640 685 HD13 LEU 85 HD13 LEU 85 7.789 3.877 4.571 686 HD21 LEU 85 HD21 LEU 85 6.238 5.627 1.722 687 HD22 LEU 85 HD22 LEU 85 7.158 7.120 1.895 688 HD23 LEU 85 HD23 LEU 85 5.887 6.729 3.053 689 HA PRO 86 HA PRO 86 9.271 8.265 9.069 690 HB2 PRO 86 HB2 PRO 86 11.214 6.450 9.697 691 HB3 PRO 86 HB1 PRO 86 9.551 6.340 10.278 692 HG2 PRO 86 HG2 PRO 86 10.866 4.915 8.012 693 HG3 PRO 86 HG1 PRO 86 9.715 4.292 9.208 694 HD2 PRO 86 HD2 PRO 86 8.977 4.953 6.694 695 HD3 PRO 86 HD1 PRO 86 7.892 5.153 8.086 696 H ARG 87 HN ARG 87 10.943 9.661 9.121 697 HA ARG 87 HA ARG 87 12.411 10.013 6.682 698 HB2 ARG 87 HB2 ARG 87 12.337 11.539 9.278 699 HB3 ARG 87 HB1 ARG 87 13.477 11.943 8.005 700 HG2 ARG 87 HG2 ARG 87 11.632 13.404 7.786 701 HG3 ARG 87 HG1 ARG 87 11.522 12.239 6.469 702 HD2 ARG 87 HD2 ARG 87 9.865 10.964 7.759 703 HD3 ARG 87 HD1 ARG 87 9.966 12.160 9.051 704 HE ARG 87 HE ARG 87 9.350 13.541 6.731 705 HH11 ARG 87 HH11 ARG 87 7.879 11.060 8.717 706 HH12 ARG 87 HH12 ARG 87 6.255 11.529 8.319 707 HH21 ARG 87 HH21 ARG 87 7.213 14.159 6.204 708 HH22 ARG 87 HH22 ARG 87 5.877 13.288 6.894 709 H ASP 88 HN ASP 88 12.894 8.112 9.319 710 HA ASP 88 HA ASP 88 15.742 8.314 9.583 711 HB2 ASP 88 HB2 ASP 88 14.491 7.504 11.464 712 HB3 ASP 88 HB1 ASP 88 13.700 6.275 10.486 713 H ILE 89 HN ILE 89 13.579 6.874 7.407 714 HA ILE 89 HA ILE 89 15.615 4.993 6.422 715 HB ILE 89 HB ILE 89 12.622 4.928 6.001 716 HG12 ILE 89 HG12 ILE 89 14.382 3.256 7.806 717 HG13 ILE 89 HG11 ILE 89 13.253 4.496 8.337 718 HG21 ILE 89 HG21 ILE 89 13.002 2.690 5.101 719 HG22 ILE 89 HG22 ILE 89 14.740 2.888 5.324 720 HG23 ILE 89 HG23 ILE 89 13.878 3.904 4.169 721 HD11 ILE 89 HD11 ILE 89 12.303 2.319 8.662 722 HD12 ILE 89 HD12 ILE 89 12.561 1.918 6.964 723 HD13 ILE 89 HD13 ILE 89 11.410 3.177 7.409 724 H VAL 90 HN VAL 90 16.309 5.180 4.357 725 HA VAL 90 HA VAL 90 15.319 7.422 2.790 726 HB VAL 90 HB VAL 90 17.725 7.198 2.867 727 HG11 VAL 90 HG11 VAL 90 17.953 4.834 3.287 728 HG12 VAL 90 HG12 VAL 90 18.881 5.273 1.854 729 HG13 VAL 90 HG13 VAL 90 17.327 4.457 1.683 730 HG21 VAL 90 HG21 VAL 90 16.803 8.094 0.827 731 HG22 VAL 90 HG22 VAL 90 16.611 6.471 0.165 732 HG23 VAL 90 HG23 VAL 90 18.224 7.117 0.456 733 H VAL 91 HN VAL 91 13.848 7.212 1.255 734 HA VAL 91 HA VAL 91 13.272 4.502 0.248 735 HB VAL 91 HB VAL 91 11.251 6.678 0.815 736 HG11 VAL 91 HG11 VAL 91 10.859 3.815 -0.023 737 HG12 VAL 91 HG12 VAL 91 10.600 5.238 -1.031 738 HG13 VAL 91 HG13 VAL 91 9.579 4.958 0.380 739 HG21 VAL 91 HG21 VAL 91 10.483 5.233 2.648 740 HG22 VAL 91 HG22 VAL 91 12.136 5.796 2.891 741 HG23 VAL 91 HG23 VAL 91 11.838 4.148 2.342 742 H ASN 92 HN ASN 92 13.048 4.263 -1.873 743 HA ASN 92 HA ASN 92 12.582 6.583 -3.575 744 HB2 ASN 92 HB2 ASN 92 14.386 5.139 -5.076 745 HB3 ASN 92 HB1 ASN 92 14.730 6.645 -4.237 746 HD21 ASN 92 HD21 ASN 92 14.786 3.154 -3.912 747 HD22 ASN 92 HD22 ASN 92 16.124 3.097 -2.813 748 H ALA 93 HN ALA 93 12.085 5.874 -5.849 749 HA ALA 93 HA ALA 93 9.929 4.062 -5.754 750 HB1 ALA 93 HB1 ALA 93 9.800 4.412 -8.177 751 HB2 ALA 93 HB2 ALA 93 11.374 5.208 -8.138 752 HB3 ALA 93 HB3 ALA 93 9.999 5.930 -7.302 753 H ALA 94 HN ALA 94 13.260 3.640 -6.348 754 HA ALA 94 HA ALA 94 13.015 1.121 -7.750 755 HB1 ALA 94 HB1 ALA 94 15.451 1.075 -7.657 756 HB2 ALA 94 HB2 ALA 94 15.443 2.464 -6.570 757 HB3 ALA 94 HB3 ALA 94 14.873 2.639 -8.230 758 H ASP 95 HN ASP 95 12.837 2.125 -4.576 759 HA ASP 95 HA ASP 95 13.823 -0.427 -3.484 760 HB2 ASP 95 HB2 ASP 95 14.622 1.904 -2.656 761 HB3 ASP 95 HB1 ASP 95 13.053 1.991 -1.866 762 H ILE 96 HN ILE 96 11.108 1.565 -4.011 763 HA ILE 96 HA ILE 96 9.315 0.380 -2.135 764 HB ILE 96 HB ILE 96 8.972 2.191 -4.513 765 HG12 ILE 96 HG12 ILE 96 8.495 2.791 -1.604 766 HG13 ILE 96 HG11 ILE 96 10.083 2.959 -2.351 767 HG21 ILE 96 HG21 ILE 96 6.838 1.341 -2.552 768 HG22 ILE 96 HG22 ILE 96 6.939 0.838 -4.238 769 HG23 ILE 96 HG23 ILE 96 6.654 2.534 -3.840 770 HD11 ILE 96 HD11 ILE 96 8.844 5.070 -2.239 771 HD12 ILE 96 HD12 ILE 96 7.595 4.369 -3.270 772 HD13 ILE 96 HD13 ILE 96 9.232 4.589 -3.891 773 H LYS 97 HN LYS 97 8.456 -1.557 -2.314 774 HA LYS 97 HA LYS 97 7.981 -2.682 -5.000 775 HB2 LYS 97 HB2 LYS 97 8.107 -4.294 -2.458 776 HB3 LYS 97 HB1 LYS 97 8.324 -4.842 -4.109 777 HG2 LYS 97 HG2 LYS 97 10.243 -3.141 -2.534 778 HG3 LYS 97 HG1 LYS 97 10.428 -4.853 -2.912 779 HD2 LYS 97 HD2 LYS 97 10.221 -2.693 -5.004 780 HD3 LYS 97 HD1 LYS 97 11.752 -3.279 -4.358 781 HE2 LYS 97 HE2 LYS 97 9.683 -4.993 -5.727 782 HE3 LYS 97 HE1 LYS 97 11.122 -4.337 -6.504 783 HZ1 LYS 97 HZ1 LYS 97 11.633 -6.536 -5.874 784 HZ2 LYS 97 HZ2 LYS 97 10.997 -6.338 -4.321 785 HZ3 LYS 97 HZ3 LYS 97 12.430 -5.548 -4.754 786 H ILE 98 HN ILE 98 5.891 -2.092 -5.444 787 HA ILE 98 HA ILE 98 3.865 -2.520 -3.357 788 HB ILE 98 HB ILE 98 3.597 -0.954 -5.930 789 HG12 ILE 98 HG12 ILE 98 3.983 -0.018 -3.077 790 HG13 ILE 98 HG11 ILE 98 5.138 0.147 -4.393 791 HG21 ILE 98 HG21 ILE 98 1.748 -1.208 -3.561 792 HG22 ILE 98 HG22 ILE 98 1.479 -1.869 -5.172 793 HG23 ILE 98 HG23 ILE 98 1.512 -0.123 -4.930 794 HD11 ILE 98 HD11 ILE 98 4.046 2.254 -4.012 795 HD12 ILE 98 HD12 ILE 98 2.460 1.502 -4.176 796 HD13 ILE 98 HD13 ILE 98 3.534 1.605 -5.569 797 H PHE 99 HN PHE 99 2.690 -4.295 -3.468 798 HA PHE 99 HA PHE 99 2.086 -5.470 -6.097 799 HB2 PHE 99 HB2 PHE 99 3.033 -6.880 -3.604 800 HB3 PHE 99 HB1 PHE 99 2.219 -7.721 -4.914 801 HD1 PHE 99 HD1 PHE 99 5.254 -5.856 -3.979 802 HD2 PHE 99 HD2 PHE 99 3.349 -8.277 -6.909 803 HE1 PHE 99 HE1 PHE 99 7.410 -6.166 -5.125 804 HE2 PHE 99 HE2 PHE 99 5.499 -8.589 -8.059 805 HZ PHE 99 HZ PHE 99 7.533 -7.531 -7.167 806 H HIS 100 HN HIS 100 -0.034 -5.518 -6.392 807 HA HIS 100 HA HIS 100 -1.790 -5.567 -4.044 808 HB2 HIS 100 HB2 HIS 100 -2.158 -3.714 -5.616 809 HB3 HIS 100 HB1 HIS 100 -2.435 -4.865 -6.914 810 HD1 HIS 100 HD1 HIS 100 -3.979 -3.853 -3.590 811 HD2 HIS 100 HD2 HIS 100 -5.016 -5.646 -7.189 812 HE1 HIS 100 HE1 HIS 100 -6.469 -4.190 -3.483 813 HE2 HIS 100 HE2 HIS 100 -7.091 -5.157 -5.723 814 H ILE 101 HN ILE 101 -2.666 -7.417 -3.492 815 HA ILE 101 HA ILE 101 -3.093 -9.496 -5.519 816 HB ILE 101 HB ILE 101 -3.210 -9.658 -2.497 817 HG12 ILE 101 HG12 ILE 101 -1.155 -10.752 -4.433 818 HG13 ILE 101 HG11 ILE 101 -0.934 -9.321 -3.430 819 HG21 ILE 101 HG21 ILE 101 -3.380 -11.867 -4.544 820 HG22 ILE 101 HG22 ILE 101 -4.721 -11.253 -3.579 821 HG23 ILE 101 HG23 ILE 101 -3.369 -12.066 -2.792 822 HD11 ILE 101 HD11 ILE 101 -1.306 -12.146 -2.471 823 HD12 ILE 101 HD12 ILE 101 -1.188 -10.729 -1.428 824 HD13 ILE 101 HD13 ILE 101 0.183 -11.199 -2.434 825 H ARG 102 HN ARG 102 -5.077 -9.617 -6.374 826 HA ARG 102 HA ARG 102 -7.204 -8.020 -5.253 827 HB2 ARG 102 HB2 ARG 102 -7.145 -9.749 -7.726 828 HB3 ARG 102 HB1 ARG 102 -8.443 -8.644 -7.290 829 HG2 ARG 102 HG2 ARG 102 -6.864 -6.770 -7.412 830 HG3 ARG 102 HG1 ARG 102 -5.596 -7.890 -7.908 831 HD2 ARG 102 HD2 ARG 102 -8.160 -7.341 -9.388 832 HD3 ARG 102 HD1 ARG 102 -6.564 -6.737 -9.823 833 HE ARG 102 HE ARG 102 -7.175 -9.622 -9.764 834 HH11 ARG 102 HH11 ARG 102 -5.795 -6.807 -11.337 835 HH12 ARG 102 HH12 ARG 102 -5.325 -7.689 -12.760 836 HH21 ARG 102 HH21 ARG 102 -6.546 -10.774 -11.614 837 HH22 ARG 102 HH22 ARG 102 -5.746 -9.946 -12.916 838 H LYS 103 HN LYS 103 -6.563 -11.435 -5.783 839 HA LYS 103 HA LYS 103 -9.053 -12.481 -5.058 840 HB2 LYS 103 HB2 LYS 103 -7.299 -13.785 -6.153 841 HB3 LYS 103 HB1 LYS 103 -6.285 -13.647 -4.727 842 HG2 LYS 103 HG2 LYS 103 -8.010 -14.910 -3.457 843 HG3 LYS 103 HG1 LYS 103 -8.879 -15.150 -4.974 844 HD2 LYS 103 HD2 LYS 103 -7.560 -17.104 -4.582 845 HD3 LYS 103 HD1 LYS 103 -6.803 -16.205 -5.897 846 HE2 LYS 103 HE2 LYS 103 -5.250 -15.203 -4.225 847 HE3 LYS 103 HE1 LYS 103 -5.947 -16.269 -3.007 848 HZ1 LYS 103 HZ1 LYS 103 -5.276 -18.153 -4.473 849 HZ2 LYS 103 HZ2 LYS 103 -3.990 -17.283 -3.809 850 HZ3 LYS 103 HZ3 LYS 103 -4.421 -17.044 -5.431 851 H GLU 104 HN GLU 104 -6.371 -11.367 -3.162 852 HA GLU 104 HA GLU 104 -7.620 -12.283 -0.678 853 HB2 GLU 104 HB2 GLU 104 -5.254 -12.873 -1.126 854 HB3 GLU 104 HB1 GLU 104 -4.856 -11.165 -1.194 855 HG2 GLU 104 HG2 GLU 104 -5.245 -10.885 1.113 856 HG3 GLU 104 HG1 GLU 104 -6.024 -12.463 1.246 857 H ARG 105 HN ARG 105 -7.557 -9.685 -2.658 858 HA ARG 105 HA ARG 105 -7.961 -7.463 -2.549 859 HB2 ARG 105 HB2 ARG 105 -9.497 -8.322 -0.095 860 HB3 ARG 105 HB1 ARG 105 -9.663 -6.763 -0.889 861 HG2 ARG 105 HG2 ARG 105 -10.294 -8.037 -2.976 862 HG3 ARG 105 HG1 ARG 105 -10.398 -9.471 -1.954 863 HD2 ARG 105 HD2 ARG 105 -11.972 -6.921 -1.619 864 HD3 ARG 105 HD1 ARG 105 -12.585 -8.445 -2.254 865 HE ARG 105 HE ARG 105 -11.479 -8.494 0.439 866 HH11 ARG 105 HH11 ARG 105 -14.314 -8.386 -1.608 867 HH12 ARG 105 HH12 ARG 105 -15.399 -8.872 -0.346 868 HH21 ARG 105 HH21 ARG 105 -12.907 -9.134 2.106 869 HH22 ARG 105 HH22 ARG 105 -14.601 -9.293 1.765 870 H THR 106 HN THR 106 -5.473 -8.126 -1.484 871 HA THR 106 HA THR 106 -5.234 -6.153 0.683 872 HB THR 106 HB THR 106 -3.720 -8.768 0.519 873 HG1 THR 106 HG1 THR 106 -6.056 -8.774 1.175 874 HG21 THR 106 HG21 THR 106 -2.951 -8.157 2.787 875 HG22 THR 106 HG22 THR 106 -3.753 -6.596 2.619 876 HG23 THR 106 HG23 THR 106 -2.404 -7.012 1.563 877 H LEU 107 HN LEU 107 -3.521 -4.773 0.562 878 HA LEU 107 HA LEU 107 -1.821 -5.028 -1.830 879 HB2 LEU 107 HB2 LEU 107 -3.291 -3.075 -1.867 880 HB3 LEU 107 HB1 LEU 107 -2.668 -2.558 -0.313 881 HG LEU 107 HG LEU 107 -0.470 -2.145 -1.309 882 HD11 LEU 107 HD11 LEU 107 -0.220 -2.240 -3.764 883 HD12 LEU 107 HD12 LEU 107 -1.788 -3.042 -3.862 884 HD13 LEU 107 HD13 LEU 107 -0.446 -3.830 -3.033 885 HD21 LEU 107 HD21 LEU 107 -2.726 -0.884 -2.854 886 HD22 LEU 107 HD22 LEU 107 -1.084 -0.256 -2.726 887 HD23 LEU 107 HD23 LEU 107 -2.109 -0.342 -1.292 888 H TYR 108 HN TYR 108 0.192 -5.586 -1.428 889 HA TYR 108 HA TYR 108 1.283 -5.180 1.255 890 HB2 TYR 108 HB2 TYR 108 2.176 -6.955 -1.024 891 HB3 TYR 108 HB1 TYR 108 3.015 -6.824 0.521 892 HD1 TYR 108 HD2 TYR 108 -0.272 -7.712 -0.972 893 HD2 TYR 108 HD1 TYR 108 2.372 -8.156 2.326 894 HE1 TYR 108 HE2 TYR 108 -1.768 -9.395 -0.012 895 HE2 TYR 108 HE1 TYR 108 0.879 -9.846 3.304 896 HH TYR 108 HH TYR 108 -1.849 -11.141 1.548 897 H ILE 109 HN ILE 109 2.695 -3.656 1.652 898 HA ILE 109 HA ILE 109 4.226 -2.468 -0.572 899 HB ILE 109 HB ILE 109 3.540 -1.246 2.105 900 HG12 ILE 109 HG12 ILE 109 1.536 -1.484 0.722 901 HG13 ILE 109 HG11 ILE 109 1.992 0.208 0.876 902 HG21 ILE 109 HG21 ILE 109 4.391 0.836 1.188 903 HG22 ILE 109 HG22 ILE 109 4.793 0.020 -0.324 904 HG23 ILE 109 HG23 ILE 109 5.636 -0.414 1.162 905 HD11 ILE 109 HD11 ILE 109 2.534 -1.552 -1.500 906 HD12 ILE 109 HD12 ILE 109 2.976 0.150 -1.347 907 HD13 ILE 109 HD13 ILE 109 1.276 -0.322 -1.379 908 H TYR 110 HN TYR 110 6.299 -3.117 -0.580 909 HA TYR 110 HA TYR 110 7.628 -3.524 2.023 910 HB2 TYR 110 HB2 TYR 110 8.322 -4.844 -0.610 911 HB3 TYR 110 HB1 TYR 110 9.135 -5.107 0.923 912 HD1 TYR 110 HD2 TYR 110 6.087 -5.759 -1.015 913 HD2 TYR 110 HD1 TYR 110 8.176 -6.561 2.608 914 HE1 TYR 110 HE2 TYR 110 4.563 -7.628 -0.551 915 HE2 TYR 110 HE1 TYR 110 6.657 -8.431 3.075 916 HH TYR 110 HH TYR 110 4.518 -9.690 0.743 917 H ILE 111 HN ILE 111 9.263 -2.180 2.450 918 HA ILE 111 HA ILE 111 10.661 -0.908 0.198 919 HB ILE 111 HB ILE 111 9.856 0.497 2.757 920 HG12 ILE 111 HG12 ILE 111 8.887 0.906 -0.083 921 HG13 ILE 111 HG11 ILE 111 7.966 0.131 1.200 922 HG21 ILE 111 HG21 ILE 111 10.764 2.511 1.653 923 HG22 ILE 111 HG22 ILE 111 11.333 1.501 0.323 924 HG23 ILE 111 HG23 ILE 111 11.999 1.284 1.942 925 HD11 ILE 111 HD11 ILE 111 8.884 2.996 1.168 926 HD12 ILE 111 HD12 ILE 111 7.960 2.221 2.456 927 HD13 ILE 111 HD13 ILE 111 7.247 2.419 0.855 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 14.667 16.926 -2.719 2 H2 GLY 1 HT2 GLY 1 15.772 18.029 -2.079 3 H3 GLY 1 HT3 GLY 1 16.239 16.999 -3.332 4 HA2 GLY 1 HA1 GLY 1 15.853 19.225 -4.169 5 HA3 GLY 1 HA2 GLY 1 14.712 18.072 -4.845 6 HA PRO 2 HA PRO 2 12.340 21.721 -3.106 7 HB2 PRO 2 HB2 PRO 2 10.879 21.410 -5.649 8 HB3 PRO 2 HB1 PRO 2 11.557 22.865 -4.917 9 HG2 PRO 2 HG2 PRO 2 12.664 21.737 -7.085 10 HG3 PRO 2 HG1 PRO 2 13.646 22.518 -5.833 11 HD2 PRO 2 HD2 PRO 2 13.153 19.604 -6.312 12 HD3 PRO 2 HD1 PRO 2 14.652 20.432 -5.839 13 H HIS 3 HN HIS 3 10.672 19.509 -5.349 14 HA HIS 3 HA HIS 3 9.204 18.420 -3.051 15 HB2 HIS 3 HB2 HIS 3 8.071 19.330 -5.692 16 HB3 HIS 3 HB1 HIS 3 7.229 18.166 -4.679 17 HD1 HIS 3 HD1 HIS 3 5.537 19.207 -3.208 18 HD2 HIS 3 HD2 HIS 3 8.662 21.815 -4.054 19 HE1 HIS 3 HE1 HIS 3 4.933 21.377 -2.090 20 HE2 HIS 3 HE2 HIS 3 6.802 22.963 -2.675 21 H MET 4 HN MET 4 9.007 17.721 -6.501 22 HA MET 4 HA MET 4 9.426 15.908 -7.759 23 HB2 MET 4 HB2 MET 4 11.723 16.101 -7.096 24 HB3 MET 4 HB1 MET 4 11.404 15.274 -5.578 25 HG2 MET 4 HG2 MET 4 12.534 13.851 -7.231 26 HG3 MET 4 HG1 MET 4 10.975 13.212 -6.725 27 HE1 MET 4 HE1 MET 4 12.939 15.084 -9.550 28 HE2 MET 4 HE2 MET 4 11.581 16.176 -9.280 29 HE3 MET 4 HE3 MET 4 11.703 15.278 -10.793 30 H SER 5 HN SER 5 8.150 14.310 -8.114 31 HA SER 5 HA SER 5 7.491 12.433 -5.978 32 HB2 SER 5 HB2 SER 5 5.065 12.531 -6.717 33 HB3 SER 5 HB1 SER 5 5.645 13.949 -5.843 34 HG SER 5 HG SER 5 5.956 14.964 -7.895 35 H VAL 6 HN VAL 6 7.511 10.389 -6.672 36 HA VAL 6 HA VAL 6 7.551 9.945 -9.584 37 HB VAL 6 HB VAL 6 8.961 7.926 -9.088 38 HG11 VAL 6 HG11 VAL 6 10.088 10.608 -8.297 39 HG12 VAL 6 HG12 VAL 6 9.948 9.973 -9.937 40 HG13 VAL 6 HG13 VAL 6 11.035 9.202 -8.782 41 HG21 VAL 6 HG21 VAL 6 8.458 7.595 -6.761 42 HG22 VAL 6 HG22 VAL 6 9.076 9.195 -6.354 43 HG23 VAL 6 HG23 VAL 6 10.181 7.941 -6.917 44 H GLN 7 HN GLN 7 6.291 8.345 -10.408 45 HA GLN 7 HA GLN 7 4.221 7.396 -8.603 46 HB2 GLN 7 HB2 GLN 7 2.930 6.851 -10.527 47 HB3 GLN 7 HB1 GLN 7 3.656 8.419 -10.826 48 HG2 GLN 7 HG2 GLN 7 4.679 5.811 -11.922 49 HG3 GLN 7 HG1 GLN 7 3.649 6.940 -12.797 50 HE21 GLN 7 HE21 GLN 7 6.825 6.275 -11.622 51 HE22 GLN 7 HE22 GLN 7 7.629 7.576 -12.438 52 H ILE 8 HN ILE 8 3.845 5.302 -8.074 53 HA ILE 8 HA ILE 8 5.940 3.413 -8.931 54 HB ILE 8 HB ILE 8 4.239 2.927 -6.517 55 HG12 ILE 8 HG12 ILE 8 5.139 5.206 -6.222 56 HG13 ILE 8 HG11 ILE 8 5.865 4.071 -5.093 57 HG21 ILE 8 HG21 ILE 8 5.676 1.143 -7.370 58 HG22 ILE 8 HG22 ILE 8 6.211 1.688 -5.781 59 HG23 ILE 8 HG23 ILE 8 7.081 2.202 -7.226 60 HD11 ILE 8 HD11 ILE 8 7.522 5.591 -5.966 61 HD12 ILE 8 HD12 ILE 8 7.118 5.119 -7.617 62 HD13 ILE 8 HD13 ILE 8 7.848 3.948 -6.519 63 HA PRO 9 HA PRO 9 2.534 1.310 -10.954 64 HB2 PRO 9 HB2 PRO 9 4.017 -0.686 -12.034 65 HB3 PRO 9 HB1 PRO 9 3.976 0.947 -12.705 66 HG2 PRO 9 HG2 PRO 9 6.035 -0.333 -10.957 67 HG3 PRO 9 HG1 PRO 9 6.259 0.733 -12.356 68 HD2 PRO 9 HD2 PRO 9 6.445 1.587 -9.774 69 HD3 PRO 9 HD1 PRO 9 5.937 2.638 -11.112 70 H VAL 10 HN VAL 10 1.175 -0.206 -10.201 71 HA VAL 10 HA VAL 10 2.108 -1.998 -8.082 72 HB VAL 10 HB VAL 10 -0.736 -1.490 -8.961 73 HG11 VAL 10 HG11 VAL 10 -1.254 -2.359 -6.686 74 HG12 VAL 10 HG12 VAL 10 0.448 -2.791 -6.514 75 HG13 VAL 10 HG13 VAL 10 -0.533 -3.551 -7.767 76 HG21 VAL 10 HG21 VAL 10 0.197 0.595 -8.209 77 HG22 VAL 10 HG22 VAL 10 0.842 -0.179 -6.763 78 HG23 VAL 10 HG23 VAL 10 -0.902 -0.033 -6.979 79 H VAL 11 HN VAL 11 2.239 -4.136 -8.342 80 HA VAL 11 HA VAL 11 1.421 -5.355 -10.858 81 HB VAL 11 HB VAL 11 3.589 -5.849 -9.512 82 HG11 VAL 11 HG11 VAL 11 2.898 -8.033 -8.109 83 HG12 VAL 11 HG12 VAL 11 1.526 -6.972 -7.782 84 HG13 VAL 11 HG13 VAL 11 3.167 -6.434 -7.418 85 HG21 VAL 11 HG21 VAL 11 3.532 -8.266 -10.143 86 HG22 VAL 11 HG22 VAL 11 3.130 -7.142 -11.446 87 HG23 VAL 11 HG23 VAL 11 1.849 -8.031 -10.620 88 H GLU 12 HN GLU 12 -0.265 -6.933 -10.981 89 HA GLU 12 HA GLU 12 -1.654 -7.397 -8.433 90 HB2 GLU 12 HB2 GLU 12 -2.797 -7.357 -11.220 91 HB3 GLU 12 HB1 GLU 12 -3.671 -7.965 -9.818 92 HG2 GLU 12 HG2 GLU 12 -3.204 -5.710 -8.752 93 HG3 GLU 12 HG1 GLU 12 -2.740 -5.177 -10.363 94 H VAL 13 HN VAL 13 -0.605 -9.093 -7.731 95 HA VAL 13 HA VAL 13 -0.536 -11.495 -9.437 96 HB VAL 13 HB VAL 13 1.331 -12.234 -7.867 97 HG11 VAL 13 HG11 VAL 13 1.732 -11.531 -10.162 98 HG12 VAL 13 HG12 VAL 13 3.025 -10.973 -9.104 99 HG13 VAL 13 HG13 VAL 13 1.784 -9.846 -9.647 100 HG21 VAL 13 HG21 VAL 13 0.942 -10.622 -6.087 101 HG22 VAL 13 HG22 VAL 13 1.287 -9.293 -7.193 102 HG23 VAL 13 HG23 VAL 13 2.564 -10.425 -6.748 103 H ASP 14 HN ASP 14 -0.024 -13.443 -7.648 104 HA ASP 14 HA ASP 14 -2.472 -13.464 -6.047 105 HB2 ASP 14 HB2 ASP 14 -0.675 -15.712 -6.983 106 HB3 ASP 14 HB1 ASP 14 -2.070 -15.935 -5.932 107 H GLU 15 HN GLU 15 0.993 -13.691 -5.895 108 HA GLU 15 HA GLU 15 0.924 -13.088 -3.062 109 HB2 GLU 15 HB2 GLU 15 2.459 -15.486 -4.076 110 HB3 GLU 15 HB1 GLU 15 2.530 -14.810 -2.454 111 HG2 GLU 15 HG2 GLU 15 0.225 -15.392 -2.083 112 HG3 GLU 15 HG1 GLU 15 0.103 -16.017 -3.732 113 H LEU 16 HN LEU 16 3.301 -12.930 -2.286 114 HA LEU 16 HA LEU 16 4.769 -11.331 -4.196 115 HB2 LEU 16 HB2 LEU 16 5.527 -12.149 -1.388 116 HB3 LEU 16 HB1 LEU 16 6.329 -10.935 -2.360 117 HG LEU 16 HG LEU 16 5.091 -9.607 -1.003 118 HD11 LEU 16 HD11 LEU 16 3.129 -8.778 -2.161 119 HD12 LEU 16 HD12 LEU 16 3.111 -10.225 -3.170 120 HD13 LEU 16 HD13 LEU 16 4.455 -9.089 -3.282 121 HD21 LEU 16 HD21 LEU 16 2.923 -11.679 -1.022 122 HD22 LEU 16 HD22 LEU 16 2.846 -10.135 -0.171 123 HD23 LEU 16 HD23 LEU 16 4.057 -11.333 0.283 124 HA PRO 17 HA PRO 17 7.454 -14.606 -5.484 125 HB2 PRO 17 HB2 PRO 17 9.708 -13.185 -6.053 126 HB3 PRO 17 HB1 PRO 17 8.291 -13.216 -7.103 127 HG2 PRO 17 HG2 PRO 17 9.144 -11.146 -5.139 128 HG3 PRO 17 HG1 PRO 17 8.438 -10.936 -6.748 129 HD2 PRO 17 HD2 PRO 17 7.007 -10.672 -4.453 130 HD3 PRO 17 HD1 PRO 17 6.297 -11.226 -5.975 131 H GLU 18 HN GLU 18 9.534 -15.616 -4.936 132 HA GLU 18 HA GLU 18 9.838 -15.906 -2.180 133 HB2 GLU 18 HB2 GLU 18 11.733 -16.632 -4.416 134 HB3 GLU 18 HB1 GLU 18 11.899 -17.182 -2.752 135 HG2 GLU 18 HG2 GLU 18 9.769 -18.324 -2.889 136 HG3 GLU 18 HG1 GLU 18 9.536 -17.729 -4.530 137 H GLY 19 HN GLY 19 11.177 -15.066 -0.683 138 HA2 GLY 19 HA2 GLY 19 13.131 -13.767 -0.064 139 HA3 GLY 19 HA1 GLY 19 12.936 -12.865 -1.559 140 H TYR 20 HN TYR 20 9.888 -13.222 -0.625 141 HA TYR 20 HA TYR 20 9.910 -10.745 0.953 142 HB2 TYR 20 HB2 TYR 20 7.865 -11.955 -0.888 143 HB3 TYR 20 HB1 TYR 20 7.429 -10.702 0.270 144 HD1 TYR 20 HD2 TYR 20 9.278 -11.439 -2.816 145 HD2 TYR 20 HD1 TYR 20 8.204 -8.434 -0.004 146 HE1 TYR 20 HE2 TYR 20 10.017 -9.702 -4.387 147 HE2 TYR 20 HE1 TYR 20 8.936 -6.696 -1.573 148 HH TYR 20 HH TYR 20 9.735 -7.384 -4.851 149 H ASP 21 HN ASP 21 7.757 -10.608 2.308 150 HA ASP 21 HA ASP 21 7.429 -13.107 3.819 151 HB2 ASP 21 HB2 ASP 21 9.011 -11.743 5.069 152 HB3 ASP 21 HB1 ASP 21 7.932 -10.354 4.977 153 H ARG 22 HN ARG 22 5.382 -13.524 3.104 154 HA ARG 22 HA ARG 22 3.375 -11.421 3.326 155 HB2 ARG 22 HB2 ARG 22 3.389 -12.825 1.289 156 HB3 ARG 22 HB1 ARG 22 3.089 -14.245 2.282 157 HG2 ARG 22 HG2 ARG 22 0.936 -13.518 2.866 158 HG3 ARG 22 HG1 ARG 22 1.242 -11.886 2.283 159 HD2 ARG 22 HD2 ARG 22 -0.177 -12.996 0.725 160 HD3 ARG 22 HD1 ARG 22 1.408 -12.796 -0.017 161 HE ARG 22 HE ARG 22 1.687 -15.084 -0.003 162 HH11 ARG 22 HH11 ARG 22 -1.196 -14.211 1.773 163 HH12 ARG 22 HH12 ARG 22 -1.801 -15.834 1.849 164 HH21 ARG 22 HH21 ARG 22 0.884 -17.221 0.060 165 HH22 ARG 22 HH22 ARG 22 -0.608 -17.549 0.893 166 H SER 23 HN SER 23 1.579 -11.564 4.637 167 HA SER 23 HA SER 23 1.557 -13.715 6.626 168 HB2 SER 23 HB2 SER 23 2.596 -11.657 7.589 169 HB3 SER 23 HB1 SER 23 1.118 -10.771 7.222 170 HG SER 23 HG SER 23 0.443 -12.954 8.574 171 H2 PRO 24 HT1 PRO 24 -28.462 7.107 7.590 172 H3 PRO 24 HT2 PRO 24 -29.856 6.893 8.417 173 HA PRO 24 HA PRO 24 -30.896 7.507 6.719 174 HB2 PRO 24 HB2 PRO 24 -30.075 10.259 6.468 175 HB3 PRO 24 HB1 PRO 24 -31.593 9.603 7.092 176 HG2 PRO 24 HG2 PRO 24 -29.700 10.814 8.657 177 HG3 PRO 24 HG1 PRO 24 -30.861 9.613 9.249 178 HD2 PRO 24 HD2 PRO 24 -27.981 9.254 8.489 179 HD3 PRO 24 HD1 PRO 24 -28.874 8.570 9.858 180 H HIS 25 HN HIS 25 -28.487 9.960 5.948 181 HA HIS 25 HA HIS 25 -28.106 8.699 3.343 182 HB2 HIS 25 HB2 HIS 25 -28.607 11.178 3.611 183 HB3 HIS 25 HB1 HIS 25 -27.004 11.347 4.314 184 HD1 HIS 25 HD1 HIS 25 -28.707 11.666 1.197 185 HD2 HIS 25 HD2 HIS 25 -24.927 10.369 2.349 186 HE1 HIS 25 HE1 HIS 25 -27.280 11.812 -0.869 187 HE2 HIS 25 HE2 HIS 25 -25.022 10.937 -0.171 188 H GLU 26 HN GLU 26 -25.988 10.294 5.721 189 HA GLU 26 HA GLU 26 -23.933 9.795 6.539 190 HB2 GLU 26 HB2 GLU 26 -24.758 6.975 5.833 191 HB3 GLU 26 HB1 GLU 26 -23.441 7.415 6.914 192 HG2 GLU 26 HG2 GLU 26 -24.878 8.169 8.568 193 HG3 GLU 26 HG1 GLU 26 -26.220 8.371 7.444 194 H GLN 27 HN GLN 27 -22.095 7.762 5.765 195 HA GLN 27 HA GLN 27 -21.155 8.873 3.263 196 HB2 GLN 27 HB2 GLN 27 -19.138 7.567 3.623 197 HB3 GLN 27 HB1 GLN 27 -19.549 8.436 5.090 198 HG2 GLN 27 HG2 GLN 27 -20.218 5.541 4.629 199 HG3 GLN 27 HG1 GLN 27 -18.739 6.093 5.408 200 HE21 GLN 27 HE21 GLN 27 -18.864 7.057 7.450 201 HE22 GLN 27 HE22 GLN 27 -20.251 6.863 8.462 202 H GLN 28 HN GLN 28 -20.367 7.321 1.549 203 HA GLN 28 HA GLN 28 -22.584 5.763 0.717 204 HB2 GLN 28 HB2 GLN 28 -19.883 6.335 -0.403 205 HB3 GLN 28 HB1 GLN 28 -20.792 4.972 -1.046 206 HG2 GLN 28 HG2 GLN 28 -21.051 7.095 -2.314 207 HG3 GLN 28 HG1 GLN 28 -22.561 6.379 -1.759 208 HE21 GLN 28 HE21 GLN 28 -20.303 8.989 -1.331 209 HE22 GLN 28 HE22 GLN 28 -21.356 10.007 -0.415 210 H GLU 29 HN GLU 29 -22.616 3.541 0.209 211 HA GLU 29 HA GLU 29 -21.467 1.959 2.351 212 HB2 GLU 29 HB2 GLU 29 -22.940 0.167 1.467 213 HB3 GLU 29 HB1 GLU 29 -23.814 1.644 1.850 214 HG2 GLU 29 HG2 GLU 29 -23.789 2.252 -0.533 215 HG3 GLU 29 HG1 GLU 29 -22.973 0.732 -0.893 216 H ASP 30 HN ASP 30 -20.892 2.640 -0.924 217 HA ASP 30 HA ASP 30 -19.467 0.185 -1.493 218 HB2 ASP 30 HB2 ASP 30 -19.051 1.287 -3.702 219 HB3 ASP 30 HB1 ASP 30 -20.754 1.109 -3.292 220 H VAL 31 HN VAL 31 -18.748 2.929 0.153 221 HA VAL 31 HA VAL 31 -16.171 3.589 -0.739 222 HB VAL 31 HB VAL 31 -17.326 3.830 2.045 223 HG11 VAL 31 HG11 VAL 31 -14.881 3.931 2.066 224 HG12 VAL 31 HG12 VAL 31 -15.587 5.507 2.427 225 HG13 VAL 31 HG13 VAL 31 -14.921 5.186 0.826 226 HG21 VAL 31 HG21 VAL 31 -17.718 6.176 1.417 227 HG22 VAL 31 HG22 VAL 31 -18.634 5.048 0.417 228 HG23 VAL 31 HG23 VAL 31 -17.177 5.808 -0.221 229 HA PRO 32 HA PRO 32 -14.166 -0.163 0.611 230 HB2 PRO 32 HB2 PRO 32 -11.682 0.561 -0.231 231 HB3 PRO 32 HB1 PRO 32 -12.926 -0.064 -1.319 232 HG2 PRO 32 HG2 PRO 32 -12.073 2.758 -0.832 233 HG3 PRO 32 HG1 PRO 32 -12.504 1.963 -2.357 234 HD2 PRO 32 HD2 PRO 32 -14.204 3.592 -0.993 235 HD3 PRO 32 HD1 PRO 32 -14.762 2.250 -2.010 236 H GLU 33 HN GLU 33 -13.482 -0.566 2.592 237 HA GLU 33 HA GLU 33 -12.248 1.582 4.133 238 HB2 GLU 33 HB2 GLU 33 -14.292 0.624 5.094 239 HB3 GLU 33 HB1 GLU 33 -13.568 -0.978 5.060 240 HG2 GLU 33 HG2 GLU 33 -11.983 -0.394 6.712 241 HG3 GLU 33 HG1 GLU 33 -12.406 1.314 6.612 242 H TYR 34 HN TYR 34 -10.152 1.467 3.643 243 HA TYR 34 HA TYR 34 -8.780 -1.062 3.475 244 HB2 TYR 34 HB2 TYR 34 -7.780 1.780 3.305 245 HB3 TYR 34 HB1 TYR 34 -6.780 0.355 3.046 246 HD1 TYR 34 HD1 TYR 34 -7.621 -1.291 1.202 247 HD2 TYR 34 HD2 TYR 34 -8.811 2.783 1.481 248 HE1 TYR 34 HE1 TYR 34 -8.250 -1.321 -1.172 249 HE2 TYR 34 HE2 TYR 34 -9.445 2.773 -0.895 250 HH TYR 34 HH TYR 34 -9.680 -0.125 -2.712 251 H GLU 35 HN GLU 35 -7.158 -1.765 4.828 252 HA GLU 35 HA GLU 35 -7.038 -0.475 7.469 253 HB2 GLU 35 HB2 GLU 35 -8.260 -2.664 7.413 254 HB3 GLU 35 HB1 GLU 35 -6.770 -3.428 6.877 255 HG2 GLU 35 HG2 GLU 35 -5.687 -2.639 8.968 256 HG3 GLU 35 HG1 GLU 35 -7.257 -2.051 9.503 257 H VAL 36 HN VAL 36 -5.121 0.404 7.746 258 HA VAL 36 HA VAL 36 -2.815 -0.571 6.250 259 HB VAL 36 HB VAL 36 -3.121 1.916 7.943 260 HG11 VAL 36 HG11 VAL 36 -0.888 1.091 6.089 261 HG12 VAL 36 HG12 VAL 36 -0.802 1.157 7.849 262 HG13 VAL 36 HG13 VAL 36 -1.021 2.641 6.920 263 HG21 VAL 36 HG21 VAL 36 -3.135 1.560 4.947 264 HG22 VAL 36 HG22 VAL 36 -3.177 3.103 5.799 265 HG23 VAL 36 HG23 VAL 36 -4.522 1.974 5.953 266 H LYS 37 HN LYS 37 -1.311 -1.801 7.123 267 HA LYS 37 HA LYS 37 -0.921 -1.731 10.042 268 HB2 LYS 37 HB2 LYS 37 -0.567 -4.158 8.263 269 HB3 LYS 37 HB1 LYS 37 -0.331 -4.100 9.999 270 HG2 LYS 37 HG2 LYS 37 -2.402 -5.115 9.758 271 HG3 LYS 37 HG1 LYS 37 -2.810 -3.437 10.113 272 HD2 LYS 37 HD2 LYS 37 -4.138 -3.628 8.307 273 HD3 LYS 37 HD1 LYS 37 -2.648 -3.365 7.410 274 HE2 LYS 37 HE2 LYS 37 -3.756 -5.250 6.458 275 HE3 LYS 37 HE1 LYS 37 -2.342 -5.836 7.334 276 HZ1 LYS 37 HZ1 LYS 37 -4.962 -5.742 8.676 277 HZ2 LYS 37 HZ2 LYS 37 -3.636 -6.761 8.975 278 HZ3 LYS 37 HZ3 LYS 37 -4.610 -7.011 7.609 279 H MET 38 HN MET 38 1.228 -1.774 10.730 280 HA MET 38 HA MET 38 3.205 -1.364 8.584 281 HB2 MET 38 HB2 MET 38 2.176 0.642 10.131 282 HB3 MET 38 HB1 MET 38 3.628 0.203 11.023 283 HG2 MET 38 HG2 MET 38 5.020 0.904 9.386 284 HG3 MET 38 HG1 MET 38 3.879 0.541 8.100 285 HE1 MET 38 HE1 MET 38 5.425 3.013 7.617 286 HE2 MET 38 HE2 MET 38 4.165 4.203 7.278 287 HE3 MET 38 HE3 MET 38 3.996 2.544 6.693 288 H LYS 39 HN LYS 39 5.229 -2.231 8.934 289 HA LYS 39 HA LYS 39 5.798 -3.427 11.542 290 HB2 LYS 39 HB2 LYS 39 4.488 -5.008 9.890 291 HB3 LYS 39 HB1 LYS 39 6.060 -5.183 9.128 292 HG2 LYS 39 HG2 LYS 39 5.623 -5.697 12.051 293 HG3 LYS 39 HG1 LYS 39 5.402 -6.940 10.823 294 HD2 LYS 39 HD2 LYS 39 7.702 -6.780 10.162 295 HD3 LYS 39 HD1 LYS 39 7.952 -5.379 11.204 296 HE2 LYS 39 HE2 LYS 39 7.476 -6.784 13.168 297 HE3 LYS 39 HE1 LYS 39 7.289 -8.177 12.108 298 HZ1 LYS 39 HZ1 LYS 39 9.510 -7.941 13.198 299 HZ2 LYS 39 HZ2 LYS 39 9.779 -6.572 12.237 300 HZ3 LYS 39 HZ3 LYS 39 9.559 -8.086 11.515 301 H ARG 40 HN ARG 40 7.922 -3.397 12.018 302 HA ARG 40 HA ARG 40 9.708 -2.216 10.034 303 HB2 ARG 40 HB2 ARG 40 9.833 -2.524 13.021 304 HB3 ARG 40 HB1 ARG 40 11.268 -2.112 12.098 305 HG2 ARG 40 HG2 ARG 40 10.274 -0.116 12.995 306 HG3 ARG 40 HG1 ARG 40 10.118 -0.114 11.240 307 HD2 ARG 40 HD2 ARG 40 8.068 0.658 12.280 308 HD3 ARG 40 HD1 ARG 40 7.802 -0.872 11.447 309 HE ARG 40 HE ARG 40 8.369 -1.544 14.054 310 HH11 ARG 40 HH11 ARG 40 5.963 0.437 12.449 311 HH12 ARG 40 HH12 ARG 40 4.736 0.125 13.636 312 HH21 ARG 40 HH21 ARG 40 6.763 -1.954 15.608 313 HH22 ARG 40 HH22 ARG 40 5.193 -1.230 15.436 314 H PHE 41 HN PHE 41 11.501 -3.159 9.245 315 HA PHE 41 HA PHE 41 12.155 -5.878 10.187 316 HB2 PHE 41 HB2 PHE 41 12.077 -4.766 7.389 317 HB3 PHE 41 HB1 PHE 41 13.077 -6.155 7.786 318 HD1 PHE 41 HD2 PHE 41 9.556 -4.969 8.137 319 HD2 PHE 41 HD1 PHE 41 12.200 -8.252 7.560 320 HE1 PHE 41 HE2 PHE 41 7.629 -6.463 7.832 321 HE2 PHE 41 HE1 PHE 41 10.275 -9.753 7.255 322 HZ PHE 41 HZ PHE 41 7.985 -8.858 7.389 323 H LYS 42 HN LYS 42 14.444 -6.493 9.672 324 HA LYS 42 HA LYS 42 16.314 -4.347 9.236 325 HB2 LYS 42 HB2 LYS 42 15.821 -4.234 11.692 326 HB3 LYS 42 HB1 LYS 42 16.438 -5.873 11.842 327 HG2 LYS 42 HG2 LYS 42 18.125 -4.277 12.504 328 HG3 LYS 42 HG1 LYS 42 18.625 -5.113 11.032 329 HD2 LYS 42 HD2 LYS 42 17.891 -3.194 9.697 330 HD3 LYS 42 HD1 LYS 42 17.386 -2.362 11.167 331 HE2 LYS 42 HE2 LYS 42 20.200 -3.225 10.513 332 HE3 LYS 42 HE1 LYS 42 19.572 -1.588 10.365 333 HZ1 LYS 42 HZ1 LYS 42 19.805 -3.144 12.881 334 HZ2 LYS 42 HZ2 LYS 42 19.160 -1.588 12.759 335 HZ3 LYS 42 HZ3 LYS 42 20.793 -1.855 12.413 336 H GLY 43 HN GLY 43 17.549 -5.242 7.728 337 HA2 GLY 43 HA2 GLY 43 19.350 -6.679 7.138 338 HA3 GLY 43 HA1 GLY 43 18.745 -7.866 8.287 339 H ALA 44 HN ALA 44 16.385 -6.402 6.326 340 HA ALA 44 HA ALA 44 16.295 -8.792 4.606 341 HB1 ALA 44 HB1 ALA 44 13.991 -7.068 5.518 342 HB2 ALA 44 HB2 ALA 44 14.407 -8.652 6.172 343 HB3 ALA 44 HB3 ALA 44 13.880 -8.501 4.496 344 H ALA 45 HN ALA 45 15.021 -8.301 2.512 345 HA ALA 45 HA ALA 45 16.403 -6.335 1.045 346 HB1 ALA 45 HB1 ALA 45 13.812 -7.711 0.347 347 HB2 ALA 45 HB2 ALA 45 15.427 -8.346 0.039 348 HB3 ALA 45 HB3 ALA 45 14.887 -6.879 -0.777 349 H TYR 46 HN TYR 46 13.693 -6.141 3.071 350 HA TYR 46 HA TYR 46 13.172 -3.381 2.257 351 HB2 TYR 46 HB2 TYR 46 10.737 -3.987 3.071 352 HB3 TYR 46 HB1 TYR 46 11.235 -4.368 1.422 353 HD1 TYR 46 HD2 TYR 46 10.890 -5.836 4.816 354 HD2 TYR 46 HD1 TYR 46 11.182 -6.570 0.639 355 HE1 TYR 46 HE2 TYR 46 10.409 -8.213 5.206 356 HE2 TYR 46 HE1 TYR 46 10.715 -8.951 1.020 357 HH TYR 46 HH TYR 46 9.581 -10.145 4.016 358 H LYS 47 HN LYS 47 12.619 -2.006 3.983 359 HA LYS 47 HA LYS 47 13.514 -3.046 6.588 360 HB2 LYS 47 HB2 LYS 47 13.405 -0.207 5.550 361 HB3 LYS 47 HB1 LYS 47 13.876 -0.649 7.178 362 HG2 LYS 47 HG2 LYS 47 15.868 -0.244 5.974 363 HG3 LYS 47 HG1 LYS 47 15.746 -1.992 6.174 364 HD2 LYS 47 HD2 LYS 47 16.464 -1.470 3.925 365 HD3 LYS 47 HD1 LYS 47 14.845 -2.166 3.887 366 HE2 LYS 47 HE2 LYS 47 13.945 0.178 3.792 367 HE3 LYS 47 HE1 LYS 47 15.605 0.735 3.588 368 HZ1 LYS 47 HZ1 LYS 47 14.598 0.523 1.449 369 HZ2 LYS 47 HZ2 LYS 47 14.075 -1.051 1.777 370 HZ3 LYS 47 HZ3 LYS 47 15.729 -0.725 1.609 371 H LEU 48 HN LEU 48 10.862 -1.811 4.859 372 HA LEU 48 HA LEU 48 9.268 -1.865 7.322 373 HB2 LEU 48 HB2 LEU 48 9.947 0.484 6.101 374 HB3 LEU 48 HB1 LEU 48 8.421 0.120 5.321 375 HG LEU 48 HG LEU 48 8.072 1.589 7.221 376 HD11 LEU 48 HD11 LEU 48 6.483 0.200 8.530 377 HD12 LEU 48 HD12 LEU 48 7.061 -1.209 7.645 378 HD13 LEU 48 HD13 LEU 48 6.264 0.108 6.786 379 HD21 LEU 48 HD21 LEU 48 8.533 0.869 9.496 380 HD22 LEU 48 HD22 LEU 48 10.018 0.959 8.546 381 HD23 LEU 48 HD23 LEU 48 9.281 -0.607 8.888 382 H ARG 49 HN ARG 49 7.440 -2.961 7.151 383 HA ARG 49 HA ARG 49 6.478 -3.714 4.464 384 HB2 ARG 49 HB2 ARG 49 7.322 -5.601 5.869 385 HB3 ARG 49 HB1 ARG 49 6.104 -5.204 7.071 386 HG2 ARG 49 HG2 ARG 49 4.390 -5.570 5.233 387 HG3 ARG 49 HG1 ARG 49 5.704 -6.299 4.308 388 HD2 ARG 49 HD2 ARG 49 4.571 -8.073 5.414 389 HD3 ARG 49 HD1 ARG 49 6.097 -7.827 6.264 390 HE ARG 49 HE ARG 49 3.940 -6.342 7.423 391 HH11 ARG 49 HH11 ARG 49 5.474 -9.501 7.336 392 HH12 ARG 49 HH12 ARG 49 4.851 -9.971 8.884 393 HH21 ARG 49 HH21 ARG 49 3.121 -6.979 9.456 394 HH22 ARG 49 HH22 ARG 49 3.525 -8.543 10.090 395 H ILE 50 HN ILE 50 4.664 -2.645 3.958 396 HA ILE 50 HA ILE 50 2.827 -1.928 6.160 397 HB ILE 50 HB ILE 50 3.026 -0.479 3.507 398 HG12 ILE 50 HG12 ILE 50 3.921 1.426 4.926 399 HG13 ILE 50 HG11 ILE 50 4.191 0.244 6.196 400 HG21 ILE 50 HG21 ILE 50 0.836 -0.405 4.588 401 HG22 ILE 50 HG22 ILE 50 1.607 1.181 4.568 402 HG23 ILE 50 HG23 ILE 50 1.587 0.231 6.053 403 HD11 ILE 50 HD11 ILE 50 6.197 0.824 4.860 404 HD12 ILE 50 HD12 ILE 50 5.424 0.070 3.462 405 HD13 ILE 50 HD13 ILE 50 5.811 -0.895 4.892 406 H LEU 51 HN LEU 51 0.795 -2.642 6.040 407 HA LEU 51 HA LEU 51 0.047 -4.138 3.620 408 HB2 LEU 51 HB2 LEU 51 -0.234 -4.732 6.513 409 HB3 LEU 51 HB1 LEU 51 -1.557 -5.214 5.473 410 HG LEU 51 HG LEU 51 -0.006 -7.054 5.862 411 HD11 LEU 51 HD11 LEU 51 0.333 -7.696 3.552 412 HD12 LEU 51 HD12 LEU 51 0.102 -6.027 3.037 413 HD13 LEU 51 HD13 LEU 51 -1.236 -6.919 3.759 414 HD21 LEU 51 HD21 LEU 51 2.034 -5.307 4.496 415 HD22 LEU 51 HD22 LEU 51 2.255 -6.999 4.946 416 HD23 LEU 51 HD23 LEU 51 2.041 -5.774 6.197 417 H ILE 52 HN ILE 52 -1.586 -3.286 2.537 418 HA ILE 52 HA ILE 52 -3.666 -1.869 4.073 419 HB ILE 52 HB ILE 52 -2.820 -1.143 1.260 420 HG12 ILE 52 HG12 ILE 52 -2.193 1.062 2.612 421 HG13 ILE 52 HG11 ILE 52 -1.956 -0.098 3.918 422 HG21 ILE 52 HG21 ILE 52 -5.164 -0.707 1.772 423 HG22 ILE 52 HG22 ILE 52 -4.262 0.799 1.582 424 HG23 ILE 52 HG23 ILE 52 -4.685 0.220 3.194 425 HD11 ILE 52 HD11 ILE 52 -0.343 -1.308 2.582 426 HD12 ILE 52 HD12 ILE 52 0.115 0.388 2.736 427 HD13 ILE 52 HD13 ILE 52 -0.601 -0.198 1.235 428 H GLU 53 HN GLU 53 -5.278 -3.334 4.105 429 HA GLU 53 HA GLU 53 -5.957 -4.625 1.550 430 HB2 GLU 53 HB2 GLU 53 -6.880 -6.480 2.753 431 HB3 GLU 53 HB1 GLU 53 -5.260 -6.186 3.361 432 HG2 GLU 53 HG2 GLU 53 -6.272 -4.956 5.262 433 HG3 GLU 53 HG1 GLU 53 -7.856 -5.459 4.682 434 H ASN 54 HN ASN 54 -8.159 -4.924 1.070 435 HA ASN 54 HA ASN 54 -9.782 -2.662 1.981 436 HB2 ASN 54 HB2 ASN 54 -9.308 -3.240 -0.506 437 HB3 ASN 54 HB1 ASN 54 -10.471 -4.537 -0.257 438 HD21 ASN 54 HD21 ASN 54 -12.138 -2.986 1.561 439 HD22 ASN 54 HD22 ASN 54 -12.987 -1.863 0.567 440 H LYS 55 HN LYS 55 -11.035 -3.142 3.673 441 HA LYS 55 HA LYS 55 -12.672 -5.566 3.502 442 HB2 LYS 55 HB2 LYS 55 -12.357 -5.708 6.050 443 HB3 LYS 55 HB1 LYS 55 -11.041 -6.260 5.023 444 HG2 LYS 55 HG2 LYS 55 -10.017 -3.968 5.316 445 HG3 LYS 55 HG1 LYS 55 -11.229 -3.688 6.567 446 HD2 LYS 55 HD2 LYS 55 -9.191 -5.912 6.547 447 HD3 LYS 55 HD1 LYS 55 -9.117 -4.451 7.531 448 HE2 LYS 55 HE2 LYS 55 -11.236 -5.106 8.599 449 HE3 LYS 55 HE1 LYS 55 -11.223 -6.596 7.660 450 HZ1 LYS 55 HZ1 LYS 55 -9.099 -5.788 9.574 451 HZ2 LYS 55 HZ2 LYS 55 -9.205 -7.263 8.745 452 HZ3 LYS 55 HZ3 LYS 55 -10.350 -6.874 9.925 453 H ALA 56 HN ALA 56 -14.457 -4.438 2.914 454 HA ALA 56 HA ALA 56 -15.676 -2.759 4.994 455 HB1 ALA 56 HB1 ALA 56 -14.875 -1.156 3.435 456 HB2 ALA 56 HB2 ALA 56 -16.607 -1.320 3.130 457 HB3 ALA 56 HB3 ALA 56 -15.445 -2.105 2.065 458 HA PRO 57 HA PRO 57 -19.384 -5.124 4.424 459 HB2 PRO 57 HB2 PRO 57 -21.306 -3.207 3.904 460 HB3 PRO 57 HB1 PRO 57 -20.747 -3.661 5.514 461 HG2 PRO 57 HG2 PRO 57 -19.918 -1.354 3.801 462 HG3 PRO 57 HG1 PRO 57 -20.217 -1.402 5.549 463 HD2 PRO 57 HD2 PRO 57 -17.731 -1.407 4.594 464 HD3 PRO 57 HD1 PRO 57 -18.169 -2.402 5.990 465 H ASN 58 HN ASN 58 -19.076 -2.500 2.089 466 HA ASN 58 HA ASN 58 -19.749 -4.376 -0.063 467 HB2 ASN 58 HB2 ASN 58 -20.957 -1.617 0.250 468 HB3 ASN 58 HB1 ASN 58 -21.156 -2.655 -1.158 469 HD21 ASN 58 HD21 ASN 58 -21.920 -2.226 2.215 470 HD22 ASN 58 HD22 ASN 58 -23.254 -3.325 2.256 471 H SER 59 HN SER 59 -17.352 -4.221 -0.069 472 HA SER 59 HA SER 59 -16.081 -1.754 -0.707 473 HB2 SER 59 HB2 SER 59 -14.966 -4.530 -1.126 474 HB3 SER 59 HB1 SER 59 -14.065 -3.038 -0.866 475 HG SER 59 HG SER 59 -15.061 -4.760 0.943 476 H LYS 60 HN LYS 60 -16.052 -0.766 -2.554 477 HA LYS 60 HA LYS 60 -15.991 -2.348 -5.024 478 HB2 LYS 60 HB2 LYS 60 -17.611 0.140 -4.490 479 HB3 LYS 60 HB1 LYS 60 -17.417 -0.592 -6.080 480 HG2 LYS 60 HG2 LYS 60 -18.490 -2.641 -5.224 481 HG3 LYS 60 HG1 LYS 60 -18.735 -1.839 -3.673 482 HD2 LYS 60 HD2 LYS 60 -20.023 -0.072 -4.911 483 HD3 LYS 60 HD1 LYS 60 -19.929 -1.102 -6.338 484 HE2 LYS 60 HE2 LYS 60 -21.181 -1.833 -3.694 485 HE3 LYS 60 HE1 LYS 60 -22.050 -1.404 -5.166 486 HZ1 LYS 60 HZ1 LYS 60 -20.278 -3.763 -4.829 487 HZ2 LYS 60 HZ2 LYS 60 -21.104 -3.351 -6.243 488 HZ3 LYS 60 HZ3 LYS 60 -21.967 -3.792 -4.859 489 HA PRO 61 HA PRO 61 -12.435 0.667 -4.592 490 HB2 PRO 61 HB2 PRO 61 -10.614 -1.028 -5.744 491 HB3 PRO 61 HB1 PRO 61 -10.947 -0.969 -4.010 492 HG2 PRO 61 HG2 PRO 61 -11.982 -2.864 -6.075 493 HG3 PRO 61 HG1 PRO 61 -11.429 -3.198 -4.425 494 HD2 PRO 61 HD2 PRO 61 -14.040 -3.062 -5.048 495 HD3 PRO 61 HD1 PRO 61 -13.422 -2.498 -3.482 496 H ASP 62 HN ASP 62 -11.579 1.941 -6.154 497 HA ASP 62 HA ASP 62 -12.780 1.686 -8.799 498 HB2 ASP 62 HB2 ASP 62 -11.165 3.987 -7.688 499 HB3 ASP 62 HB1 ASP 62 -12.196 4.005 -9.112 500 H ARG 63 HN ARG 63 -9.615 2.545 -7.453 501 HA ARG 63 HA ARG 63 -8.200 0.907 -9.332 502 HB2 ARG 63 HB2 ARG 63 -7.053 2.772 -10.450 503 HB3 ARG 63 HB1 ARG 63 -8.785 2.812 -10.756 504 HG2 ARG 63 HG2 ARG 63 -8.913 4.445 -8.797 505 HG3 ARG 63 HG1 ARG 63 -7.161 4.581 -8.963 506 HD2 ARG 63 HD2 ARG 63 -7.444 5.251 -11.293 507 HD3 ARG 63 HD1 ARG 63 -9.192 5.106 -11.112 508 HE ARG 63 HE ARG 63 -8.942 6.897 -9.363 509 HH11 ARG 63 HH11 ARG 63 -6.693 6.626 -12.037 510 HH12 ARG 63 HH12 ARG 63 -6.323 8.318 -12.061 511 HH21 ARG 63 HH21 ARG 63 -8.458 9.118 -9.390 512 HH22 ARG 63 HH22 ARG 63 -7.329 9.739 -10.551 513 H PHE 64 HN PHE 64 -5.768 1.555 -9.196 514 HA PHE 64 HA PHE 64 -5.087 2.659 -6.564 515 HB2 PHE 64 HB2 PHE 64 -4.040 0.095 -7.776 516 HB3 PHE 64 HB1 PHE 64 -3.204 0.947 -6.482 517 HD1 PHE 64 HD2 PHE 64 -4.267 1.170 -4.268 518 HD2 PHE 64 HD1 PHE 64 -5.947 -1.244 -7.341 519 HE1 PHE 64 HE2 PHE 64 -5.646 0.008 -2.594 520 HE2 PHE 64 HE1 PHE 64 -7.329 -2.412 -5.674 521 HZ PHE 64 HZ PHE 64 -7.182 -1.785 -3.297 522 H SER 65 HN SER 65 -3.885 4.410 -6.921 523 HA SER 65 HA SER 65 -1.767 4.216 -8.948 524 HB2 SER 65 HB2 SER 65 -3.508 6.651 -8.477 525 HB3 SER 65 HB1 SER 65 -2.163 6.543 -9.611 526 HG SER 65 HG SER 65 -3.841 4.520 -10.077 527 HA PRO 66 HA PRO 66 -0.074 5.626 -4.917 528 HB2 PRO 66 HB2 PRO 66 1.832 3.772 -4.643 529 HB3 PRO 66 HB1 PRO 66 0.147 3.427 -4.234 530 HG2 PRO 66 HG2 PRO 66 1.687 2.694 -6.683 531 HG3 PRO 66 HG1 PRO 66 0.529 1.728 -5.757 532 HD2 PRO 66 HD2 PRO 66 -0.070 3.069 -8.086 533 HD3 PRO 66 HD1 PRO 66 -1.264 2.618 -6.852 534 H SER 67 HN SER 67 1.806 6.751 -4.534 535 HA SER 67 HA SER 67 3.977 6.759 -6.411 536 HB2 SER 67 HB2 SER 67 2.354 9.300 -6.169 537 HB3 SER 67 HB1 SER 67 3.779 9.031 -7.171 538 HG SER 67 HG SER 67 1.913 7.184 -7.725 539 H TYR 68 HN TYR 68 5.790 7.746 -5.608 540 HA TYR 68 HA TYR 68 5.642 8.418 -2.757 541 HB2 TYR 68 HB2 TYR 68 7.100 6.562 -3.162 542 HB3 TYR 68 HB1 TYR 68 7.898 7.399 -4.486 543 HD1 TYR 68 HD2 TYR 68 7.215 7.921 -0.840 544 HD2 TYR 68 HD1 TYR 68 9.975 8.275 -4.068 545 HE1 TYR 68 HE2 TYR 68 8.916 8.786 0.710 546 HE2 TYR 68 HE1 TYR 68 11.674 9.150 -2.513 547 HH TYR 68 HH TYR 68 11.334 9.007 0.867 548 H ASN 69 HN ASN 69 5.713 10.480 -2.278 549 HA ASN 69 HA ASN 69 7.127 12.310 -4.080 550 HB2 ASN 69 HB2 ASN 69 5.983 14.071 -2.539 551 HB3 ASN 69 HB1 ASN 69 5.028 13.234 -3.753 552 HD21 ASN 69 HD21 ASN 69 5.619 13.681 -0.396 553 HD22 ASN 69 HD22 ASN 69 4.239 12.823 0.178 554 H PHE 70 HN PHE 70 9.111 12.829 -3.617 555 HA PHE 70 HA PHE 70 10.432 12.090 -1.233 556 HB2 PHE 70 HB2 PHE 70 11.236 14.009 -3.428 557 HB3 PHE 70 HB1 PHE 70 12.305 13.504 -2.127 558 HD1 PHE 70 HD2 PHE 70 10.318 12.228 -4.988 559 HD2 PHE 70 HD1 PHE 70 13.558 11.551 -2.312 560 HE1 PHE 70 HE2 PHE 70 11.024 10.293 -6.335 561 HE2 PHE 70 HE1 PHE 70 14.272 9.618 -3.657 562 HZ PHE 70 HZ PHE 70 13.002 8.986 -5.671 563 H ALA 71 HN ALA 71 8.743 14.924 -2.220 564 HA ALA 71 HA ALA 71 9.755 16.922 -0.622 565 HB1 ALA 71 HB1 ALA 71 7.960 17.122 -2.343 566 HB2 ALA 71 HB2 ALA 71 7.644 18.012 -0.855 567 HB3 ALA 71 HB3 ALA 71 6.826 16.479 -1.157 568 H GLU 72 HN GLU 72 7.249 14.561 0.235 569 HA GLU 72 HA GLU 72 7.527 15.382 3.051 570 HB2 GLU 72 HB2 GLU 72 5.226 13.772 2.007 571 HB3 GLU 72 HB1 GLU 72 5.296 14.799 3.430 572 HG2 GLU 72 HG2 GLU 72 5.345 16.775 1.988 573 HG3 GLU 72 HG1 GLU 72 5.242 15.725 0.573 574 H ASN 73 HN ASN 73 8.632 13.210 1.005 575 HA ASN 73 HA ASN 73 9.175 11.025 0.875 576 HB2 ASN 73 HB2 ASN 73 10.259 10.050 2.907 577 HB3 ASN 73 HB1 ASN 73 10.880 11.627 2.449 578 HD21 ASN 73 HD21 ASN 73 8.861 9.901 4.704 579 HD22 ASN 73 HD22 ASN 73 8.861 11.113 5.936 580 H ILE 74 HN ILE 74 6.553 11.249 0.816 581 HA ILE 74 HA ILE 74 5.588 9.060 2.532 582 HB ILE 74 HB ILE 74 4.132 11.518 1.566 583 HG12 ILE 74 HG12 ILE 74 4.536 10.493 4.372 584 HG13 ILE 74 HG11 ILE 74 5.669 11.579 3.589 585 HG21 ILE 74 HG21 ILE 74 3.001 9.111 2.988 586 HG22 ILE 74 HG22 ILE 74 2.629 9.627 1.342 587 HG23 ILE 74 HG23 ILE 74 2.146 10.629 2.713 588 HD11 ILE 74 HD11 ILE 74 4.215 12.809 5.015 589 HD12 ILE 74 HD12 ILE 74 2.791 12.131 4.221 590 HD13 ILE 74 HD13 ILE 74 3.866 13.214 3.334 591 H LEU 75 HN LEU 75 4.569 7.405 1.601 592 HA LEU 75 HA LEU 75 4.379 7.377 -1.325 593 HB2 LEU 75 HB2 LEU 75 5.725 5.624 -0.165 594 HB3 LEU 75 HB1 LEU 75 4.287 5.109 0.683 595 HG LEU 75 HG LEU 75 5.070 3.708 -1.306 596 HD11 LEU 75 HD11 LEU 75 2.230 4.705 -1.215 597 HD12 LEU 75 HD12 LEU 75 2.909 3.359 -0.300 598 HD13 LEU 75 HD13 LEU 75 2.775 3.251 -2.055 599 HD21 LEU 75 HD21 LEU 75 3.830 6.000 -2.814 600 HD22 LEU 75 HD22 LEU 75 4.289 4.442 -3.502 601 HD23 LEU 75 HD23 LEU 75 5.524 5.516 -2.849 602 H TYR 76 HN TYR 76 2.406 8.233 -1.842 603 HA TYR 76 HA TYR 76 0.119 7.556 -0.180 604 HB2 TYR 76 HB2 TYR 76 -0.887 9.426 -0.976 605 HB3 TYR 76 HB1 TYR 76 0.750 9.870 -1.420 606 HD1 TYR 76 HD1 TYR 76 -2.477 8.639 -2.672 607 HD2 TYR 76 HD2 TYR 76 1.394 10.041 -3.736 608 HE1 TYR 76 HE1 TYR 76 -3.230 8.929 -4.988 609 HE2 TYR 76 HE2 TYR 76 0.647 10.331 -6.066 610 HH TYR 76 HH TYR 76 -2.691 10.102 -6.955 611 H ILE 77 HN ILE 77 -1.554 6.268 -0.776 612 HA ILE 77 HA ILE 77 -0.996 4.426 -2.961 613 HB ILE 77 HB ILE 77 -3.103 4.353 -0.795 614 HG12 ILE 77 HG12 ILE 77 -0.797 4.022 0.014 615 HG13 ILE 77 HG11 ILE 77 -1.764 2.560 0.177 616 HG21 ILE 77 HG21 ILE 77 -3.538 2.051 -1.513 617 HG22 ILE 77 HG22 ILE 77 -2.419 2.265 -2.859 618 HG23 ILE 77 HG23 ILE 77 -3.903 3.217 -2.786 619 HD11 ILE 77 HD11 ILE 77 0.461 2.028 -0.589 620 HD12 ILE 77 HD12 ILE 77 0.279 3.120 -1.961 621 HD13 ILE 77 HD13 ILE 77 -0.714 1.667 -1.852 622 H ASN 78 HN ASN 78 -3.644 6.448 -1.801 623 HA ASN 78 HA ASN 78 -4.467 7.037 -4.513 624 HB2 ASN 78 HB2 ASN 78 -6.155 5.460 -2.583 625 HB3 ASN 78 HB1 ASN 78 -6.926 6.559 -3.720 626 HD21 ASN 78 HD21 ASN 78 -6.948 3.598 -3.432 627 HD22 ASN 78 HD22 ASN 78 -6.514 2.996 -4.993 628 H GLY 79 HN GLY 79 -6.599 8.546 -4.183 629 HA2 GLY 79 HA2 GLY 79 -5.730 10.703 -2.509 630 HA3 GLY 79 HA1 GLY 79 -7.224 10.643 -3.435 631 H LYS 80 HN LYS 80 -7.098 7.879 -1.653 632 HA LYS 80 HA LYS 80 -9.034 8.945 0.243 633 HB2 LYS 80 HB2 LYS 80 -8.303 6.054 -0.212 634 HB3 LYS 80 HB1 LYS 80 -9.798 6.705 0.455 635 HG2 LYS 80 HG2 LYS 80 -10.332 7.693 -1.714 636 HG3 LYS 80 HG1 LYS 80 -8.835 7.036 -2.371 637 HD2 LYS 80 HD2 LYS 80 -9.615 4.790 -2.016 638 HD3 LYS 80 HD1 LYS 80 -11.080 5.385 -1.225 639 HE2 LYS 80 HE2 LYS 80 -11.711 6.528 -3.318 640 HE3 LYS 80 HE1 LYS 80 -10.275 5.866 -4.092 641 HZ1 LYS 80 HZ1 LYS 80 -12.553 4.310 -3.004 642 HZ2 LYS 80 HZ2 LYS 80 -11.155 3.638 -3.681 643 HZ3 LYS 80 HZ3 LYS 80 -12.203 4.559 -4.642 644 H LEU 81 HN LEU 81 -5.927 7.328 0.108 645 HA LEU 81 HA LEU 81 -5.312 8.260 2.734 646 HB2 LEU 81 HB2 LEU 81 -4.567 5.913 3.481 647 HB3 LEU 81 HB1 LEU 81 -6.246 6.370 3.639 648 HG LEU 81 HG LEU 81 -6.825 5.034 1.670 649 HD11 LEU 81 HD11 LEU 81 -3.918 4.231 1.623 650 HD12 LEU 81 HD12 LEU 81 -4.702 5.281 0.444 651 HD13 LEU 81 HD13 LEU 81 -5.202 3.595 0.591 652 HD21 LEU 81 HD21 LEU 81 -5.181 3.592 3.735 653 HD22 LEU 81 HD22 LEU 81 -6.310 2.826 2.619 654 HD23 LEU 81 HD23 LEU 81 -6.901 3.972 3.822 655 H SER 82 HN SER 82 -3.118 8.146 3.286 656 HA SER 82 HA SER 82 -1.323 7.324 1.115 657 HB2 SER 82 HB2 SER 82 0.098 9.316 1.719 658 HB3 SER 82 HB1 SER 82 -1.460 9.725 0.998 659 HG SER 82 HG SER 82 -2.251 10.142 3.091 660 H ILE 83 HN ILE 83 0.757 6.587 1.781 661 HA ILE 83 HA ILE 83 0.810 5.728 4.598 662 HB ILE 83 HB ILE 83 2.269 4.546 2.229 663 HG12 ILE 83 HG12 ILE 83 -0.127 4.152 2.047 664 HG13 ILE 83 HG11 ILE 83 0.688 2.653 2.477 665 HG21 ILE 83 HG21 ILE 83 3.461 4.238 4.335 666 HG22 ILE 83 HG22 ILE 83 2.822 2.709 3.732 667 HG23 ILE 83 HG23 ILE 83 2.012 3.541 5.060 668 HD11 ILE 83 HD11 ILE 83 -0.834 4.450 4.349 669 HD12 ILE 83 HD12 ILE 83 0.012 2.972 4.808 670 HD13 ILE 83 HD13 ILE 83 -1.370 2.894 3.715 671 HA PRO 84 HA PRO 84 4.195 8.765 4.585 672 HB2 PRO 84 HB2 PRO 84 3.857 8.628 7.489 673 HB3 PRO 84 HB1 PRO 84 3.724 10.024 6.416 674 HG2 PRO 84 HG2 PRO 84 1.572 8.947 7.607 675 HG3 PRO 84 HG1 PRO 84 1.500 9.646 5.979 676 HD2 PRO 84 HD2 PRO 84 1.685 6.764 6.791 677 HD3 PRO 84 HD1 PRO 84 0.658 7.520 5.551 678 H LEU 85 HN LEU 85 6.297 8.385 4.767 679 HA LEU 85 HA LEU 85 7.076 5.836 6.009 680 HB2 LEU 85 HB2 LEU 85 8.534 7.482 3.938 681 HB3 LEU 85 HB1 LEU 85 8.991 5.885 4.506 682 HG LEU 85 HG LEU 85 6.474 6.534 2.969 683 HD11 LEU 85 HD11 LEU 85 8.457 6.741 1.586 684 HD12 LEU 85 HD12 LEU 85 7.532 5.304 1.144 685 HD13 LEU 85 HD13 LEU 85 9.001 5.146 2.106 686 HD21 LEU 85 HD21 LEU 85 6.226 4.093 2.819 687 HD22 LEU 85 HD22 LEU 85 6.145 4.668 4.484 688 HD23 LEU 85 HD23 LEU 85 7.615 3.898 3.888 689 HA PRO 86 HA PRO 86 9.407 7.996 9.080 690 HB2 PRO 86 HB2 PRO 86 11.407 6.190 9.516 691 HB3 PRO 86 HB1 PRO 86 9.772 6.006 10.154 692 HG2 PRO 86 HG2 PRO 86 11.022 4.753 7.752 693 HG3 PRO 86 HG1 PRO 86 9.941 4.027 8.955 694 HD2 PRO 86 HD2 PRO 86 9.082 4.825 6.516 695 HD3 PRO 86 HD1 PRO 86 8.052 4.900 7.961 696 H ARG 87 HN ARG 87 11.038 9.412 9.143 697 HA ARG 87 HA ARG 87 12.405 9.982 6.693 698 HB2 ARG 87 HB2 ARG 87 12.416 11.262 9.420 699 HB3 ARG 87 HB1 ARG 87 13.488 11.810 8.143 700 HG2 ARG 87 HG2 ARG 87 11.533 13.216 8.254 701 HG3 ARG 87 HG1 ARG 87 11.543 12.319 6.740 702 HD2 ARG 87 HD2 ARG 87 9.310 12.379 7.707 703 HD3 ARG 87 HD1 ARG 87 9.938 10.733 7.657 704 HE ARG 87 HE ARG 87 10.446 12.004 10.166 705 HH11 ARG 87 HH11 ARG 87 7.980 10.373 8.280 706 HH12 ARG 87 HH12 ARG 87 7.111 9.809 9.674 707 HH21 ARG 87 HH21 ARG 87 9.295 11.254 12.003 708 HH22 ARG 87 HH22 ARG 87 7.864 10.298 11.781 709 H ASP 88 HN ASP 88 13.057 7.902 9.196 710 HA ASP 88 HA ASP 88 15.899 8.242 9.350 711 HB2 ASP 88 HB2 ASP 88 14.040 6.072 10.331 712 HB3 ASP 88 HB1 ASP 88 15.753 6.143 10.676 713 H ILE 89 HN ILE 89 13.775 6.823 7.170 714 HA ILE 89 HA ILE 89 15.784 4.856 6.304 715 HB ILE 89 HB ILE 89 12.790 4.801 5.909 716 HG12 ILE 89 HG12 ILE 89 14.615 3.113 7.638 717 HG13 ILE 89 HG11 ILE 89 13.476 4.325 8.215 718 HG21 ILE 89 HG21 ILE 89 13.972 3.802 4.018 719 HG22 ILE 89 HG22 ILE 89 13.129 2.574 4.962 720 HG23 ILE 89 HG23 ILE 89 14.876 2.764 5.123 721 HD11 ILE 89 HD11 ILE 89 11.628 2.981 7.350 722 HD12 ILE 89 HD12 ILE 89 12.599 2.098 8.528 723 HD13 ILE 89 HD13 ILE 89 12.779 1.763 6.805 724 H VAL 90 HN VAL 90 16.585 5.009 4.318 725 HA VAL 90 HA VAL 90 15.725 7.176 2.604 726 HB VAL 90 HB VAL 90 18.130 6.763 2.839 727 HG11 VAL 90 HG11 VAL 90 19.186 4.792 1.860 728 HG12 VAL 90 HG12 VAL 90 17.598 4.123 1.487 729 HG13 VAL 90 HG13 VAL 90 18.087 4.346 3.166 730 HG21 VAL 90 HG21 VAL 90 17.119 6.188 0.058 731 HG22 VAL 90 HG22 VAL 90 18.721 6.797 0.472 732 HG23 VAL 90 HG23 VAL 90 17.294 7.783 0.789 733 H VAL 91 HN VAL 91 14.380 6.977 0.936 734 HA VAL 91 HA VAL 91 13.758 4.303 -0.064 735 HB VAL 91 HB VAL 91 12.089 4.581 1.581 736 HG11 VAL 91 HG11 VAL 91 10.678 6.562 1.785 737 HG12 VAL 91 HG12 VAL 91 11.609 7.347 0.509 738 HG13 VAL 91 HG13 VAL 91 12.381 6.939 2.041 739 HG21 VAL 91 HG21 VAL 91 11.223 3.780 -0.544 740 HG22 VAL 91 HG22 VAL 91 10.901 5.438 -1.048 741 HG23 VAL 91 HG23 VAL 91 10.010 4.738 0.303 742 H ASN 92 HN ASN 92 13.312 4.183 -2.147 743 HA ASN 92 HA ASN 92 12.700 6.586 -3.687 744 HB2 ASN 92 HB2 ASN 92 14.346 5.208 -5.407 745 HB3 ASN 92 HB1 ASN 92 14.794 6.656 -4.517 746 HD21 ASN 92 HD21 ASN 92 14.786 3.144 -4.375 747 HD22 ASN 92 HD22 ASN 92 16.201 2.999 -3.385 748 H ALA 93 HN ALA 93 12.015 5.961 -5.958 749 HA ALA 93 HA ALA 93 9.858 4.179 -5.793 750 HB1 ALA 93 HB1 ALA 93 9.606 4.533 -8.186 751 HB2 ALA 93 HB2 ALA 93 11.228 5.221 -8.269 752 HB3 ALA 93 HB3 ALA 93 9.962 6.051 -7.363 753 H ALA 94 HN ALA 94 13.153 3.696 -6.596 754 HA ALA 94 HA ALA 94 12.777 1.187 -7.979 755 HB1 ALA 94 HB1 ALA 94 15.299 2.470 -6.938 756 HB2 ALA 94 HB2 ALA 94 14.634 2.670 -8.559 757 HB3 ALA 94 HB3 ALA 94 15.214 1.090 -8.031 758 H ASP 95 HN ASP 95 12.841 2.157 -4.774 759 HA ASP 95 HA ASP 95 13.799 -0.452 -3.801 760 HB2 ASP 95 HB2 ASP 95 14.860 1.718 -2.988 761 HB3 ASP 95 HB1 ASP 95 13.337 2.054 -2.179 762 H ILE 96 HN ILE 96 11.124 1.631 -4.123 763 HA ILE 96 HA ILE 96 9.424 0.460 -2.139 764 HB ILE 96 HB ILE 96 8.920 2.279 -4.489 765 HG12 ILE 96 HG12 ILE 96 8.725 2.910 -1.553 766 HG13 ILE 96 HG11 ILE 96 10.237 3.051 -2.445 767 HG21 ILE 96 HG21 ILE 96 6.902 0.951 -4.000 768 HG22 ILE 96 HG22 ILE 96 6.680 2.655 -3.601 769 HG23 ILE 96 HG23 ILE 96 6.972 1.478 -2.319 770 HD11 ILE 96 HD11 ILE 96 7.693 4.486 -3.140 771 HD12 ILE 96 HD12 ILE 96 9.267 4.679 -3.914 772 HD13 ILE 96 HD13 ILE 96 9.041 5.179 -2.238 773 H LYS 97 HN LYS 97 8.558 -1.478 -2.288 774 HA LYS 97 HA LYS 97 7.995 -2.593 -4.952 775 HB2 LYS 97 HB2 LYS 97 8.310 -4.136 -2.378 776 HB3 LYS 97 HB1 LYS 97 8.301 -4.768 -4.015 777 HG2 LYS 97 HG2 LYS 97 10.439 -3.071 -2.758 778 HG3 LYS 97 HG1 LYS 97 10.541 -4.786 -3.151 779 HD2 LYS 97 HD2 LYS 97 10.200 -2.539 -5.145 780 HD3 LYS 97 HD1 LYS 97 11.702 -3.403 -4.815 781 HE2 LYS 97 HE2 LYS 97 10.704 -5.478 -5.593 782 HE3 LYS 97 HE1 LYS 97 9.165 -4.662 -5.861 783 HZ1 LYS 97 HZ1 LYS 97 10.366 -4.911 -7.922 784 HZ2 LYS 97 HZ2 LYS 97 11.707 -4.102 -7.290 785 HZ3 LYS 97 HZ3 LYS 97 10.253 -3.271 -7.527 786 H ILE 98 HN ILE 98 5.905 -2.335 -5.443 787 HA ILE 98 HA ILE 98 3.905 -2.641 -3.304 788 HB ILE 98 HB ILE 98 3.657 -1.089 -5.884 789 HG12 ILE 98 HG12 ILE 98 3.994 -0.154 -3.025 790 HG13 ILE 98 HG11 ILE 98 5.179 -0.001 -4.316 791 HG21 ILE 98 HG21 ILE 98 1.562 -0.251 -4.907 792 HG22 ILE 98 HG22 ILE 98 1.769 -1.359 -3.552 793 HG23 ILE 98 HG23 ILE 98 1.529 -1.991 -5.179 794 HD11 ILE 98 HD11 ILE 98 2.515 1.377 -4.132 795 HD12 ILE 98 HD12 ILE 98 3.577 1.434 -5.536 796 HD13 ILE 98 HD13 ILE 98 4.114 2.110 -3.999 797 H PHE 99 HN PHE 99 2.743 -4.428 -3.395 798 HA PHE 99 HA PHE 99 2.195 -5.668 -6.010 799 HB2 PHE 99 HB2 PHE 99 2.827 -7.144 -3.449 800 HB3 PHE 99 HB1 PHE 99 2.444 -7.877 -4.998 801 HD1 PHE 99 HD2 PHE 99 4.985 -6.179 -3.018 802 HD2 PHE 99 HD1 PHE 99 4.091 -7.949 -6.783 803 HE1 PHE 99 HE2 PHE 99 7.379 -6.264 -3.543 804 HE2 PHE 99 HE1 PHE 99 6.491 -8.034 -7.315 805 HZ PHE 99 HZ PHE 99 8.137 -7.185 -5.696 806 H HIS 100 HN HIS 100 0.082 -5.681 -6.353 807 HA HIS 100 HA HIS 100 -1.733 -5.694 -4.043 808 HB2 HIS 100 HB2 HIS 100 -2.095 -3.924 -5.714 809 HB3 HIS 100 HB1 HIS 100 -2.321 -5.142 -6.962 810 HD1 HIS 100 HD1 HIS 100 -4.728 -5.345 -7.517 811 HD2 HIS 100 HD2 HIS 100 -4.128 -4.601 -3.465 812 HE1 HIS 100 HE1 HIS 100 -7.015 -5.320 -6.484 813 HE2 HIS 100 HE2 HIS 100 -6.641 -4.782 -4.053 814 H ILE 101 HN ILE 101 -2.183 -7.729 -3.394 815 HA ILE 101 HA ILE 101 -2.912 -9.713 -5.404 816 HB ILE 101 HB ILE 101 -2.728 -9.895 -2.392 817 HG12 ILE 101 HG12 ILE 101 -1.190 -11.872 -3.215 818 HG13 ILE 101 HG11 ILE 101 -1.116 -10.929 -4.694 819 HG21 ILE 101 HG21 ILE 101 -3.431 -12.189 -2.528 820 HG22 ILE 101 HG22 ILE 101 -3.585 -12.076 -4.280 821 HG23 ILE 101 HG23 ILE 101 -4.672 -11.160 -3.240 822 HD11 ILE 101 HD11 ILE 101 -0.438 -9.806 -2.007 823 HD12 ILE 101 HD12 ILE 101 -0.053 -9.146 -3.598 824 HD13 ILE 101 HD13 ILE 101 0.743 -10.625 -3.033 825 H ARG 102 HN ARG 102 -4.874 -9.530 -6.240 826 HA ARG 102 HA ARG 102 -6.893 -7.991 -4.877 827 HB2 ARG 102 HB2 ARG 102 -8.216 -8.357 -6.956 828 HB3 ARG 102 HB1 ARG 102 -6.657 -7.588 -7.210 829 HG2 ARG 102 HG2 ARG 102 -5.753 -9.834 -7.848 830 HG3 ARG 102 HG1 ARG 102 -7.411 -10.441 -7.791 831 HD2 ARG 102 HD2 ARG 102 -6.442 -8.162 -9.509 832 HD3 ARG 102 HD1 ARG 102 -6.699 -9.814 -10.069 833 HE ARG 102 HE ARG 102 -9.092 -9.453 -9.399 834 HH11 ARG 102 HH11 ARG 102 -7.045 -6.715 -10.206 835 HH12 ARG 102 HH12 ARG 102 -8.362 -5.766 -10.817 836 HH21 ARG 102 HH21 ARG 102 -10.810 -8.187 -10.174 837 HH22 ARG 102 HH22 ARG 102 -10.502 -6.595 -10.795 838 H LYS 103 HN LYS 103 -6.115 -11.304 -5.180 839 HA LYS 103 HA LYS 103 -8.712 -12.382 -4.774 840 HB2 LYS 103 HB2 LYS 103 -6.813 -13.700 -5.658 841 HB3 LYS 103 HB1 LYS 103 -6.019 -13.581 -4.094 842 HG2 LYS 103 HG2 LYS 103 -7.712 -14.907 -3.055 843 HG3 LYS 103 HG1 LYS 103 -8.705 -14.872 -4.513 844 HD2 LYS 103 HD2 LYS 103 -7.600 -17.001 -4.391 845 HD3 LYS 103 HD1 LYS 103 -6.886 -16.074 -5.710 846 HE2 LYS 103 HE2 LYS 103 -5.093 -17.096 -4.544 847 HE3 LYS 103 HE1 LYS 103 -5.073 -15.390 -4.108 848 HZ1 LYS 103 HZ1 LYS 103 -6.187 -15.937 -2.030 849 HZ2 LYS 103 HZ2 LYS 103 -4.743 -16.808 -2.180 850 HZ3 LYS 103 HZ3 LYS 103 -6.220 -17.578 -2.458 851 H GLU 104 HN GLU 104 -6.013 -11.687 -2.580 852 HA GLU 104 HA GLU 104 -7.662 -12.174 -0.251 853 HB2 GLU 104 HB2 GLU 104 -4.859 -11.041 -0.369 854 HB3 GLU 104 HB1 GLU 104 -5.671 -11.703 1.042 855 HG2 GLU 104 HG2 GLU 104 -4.778 -13.214 -1.399 856 HG3 GLU 104 HG1 GLU 104 -4.070 -13.286 0.214 857 H ARG 105 HN ARG 105 -7.427 -9.770 -2.397 858 HA ARG 105 HA ARG 105 -7.776 -7.536 -2.496 859 HB2 ARG 105 HB2 ARG 105 -9.346 -8.096 0.028 860 HB3 ARG 105 HB1 ARG 105 -9.431 -6.600 -0.890 861 HG2 ARG 105 HG2 ARG 105 -11.262 -7.688 -1.701 862 HG3 ARG 105 HG1 ARG 105 -10.045 -8.223 -2.860 863 HD2 ARG 105 HD2 ARG 105 -11.398 -10.099 -2.129 864 HD3 ARG 105 HD1 ARG 105 -9.736 -10.284 -1.566 865 HE ARG 105 HE ARG 105 -11.570 -9.053 0.314 866 HH11 ARG 105 HH11 ARG 105 -10.065 -12.024 -0.790 867 HH12 ARG 105 HH12 ARG 105 -10.341 -12.860 0.706 868 HH21 ARG 105 HH21 ARG 105 -11.934 -10.152 2.273 869 HH22 ARG 105 HH22 ARG 105 -11.390 -11.792 2.455 870 H THR 106 HN THR 106 -5.315 -8.200 -1.417 871 HA THR 106 HA THR 106 -4.998 -6.194 0.713 872 HB THR 106 HB THR 106 -3.529 -8.834 0.559 873 HG1 THR 106 HG1 THR 106 -5.906 -8.667 1.278 874 HG21 THR 106 HG21 THR 106 -2.188 -7.066 1.561 875 HG22 THR 106 HG22 THR 106 -2.710 -8.209 2.798 876 HG23 THR 106 HG23 THR 106 -3.513 -6.649 2.644 877 H LEU 107 HN LEU 107 -3.550 -4.686 0.292 878 HA LEU 107 HA LEU 107 -1.731 -5.056 -1.967 879 HB2 LEU 107 HB2 LEU 107 -3.180 -3.078 -1.988 880 HB3 LEU 107 HB1 LEU 107 -2.529 -2.574 -0.442 881 HG LEU 107 HG LEU 107 -0.345 -2.182 -1.451 882 HD11 LEU 107 HD11 LEU 107 -0.363 -3.912 -3.143 883 HD12 LEU 107 HD12 LEU 107 -0.078 -2.341 -3.891 884 HD13 LEU 107 HD13 LEU 107 -1.668 -3.092 -3.997 885 HD21 LEU 107 HD21 LEU 107 -2.604 -0.934 -3.004 886 HD22 LEU 107 HD22 LEU 107 -0.955 -0.318 -2.919 887 HD23 LEU 107 HD23 LEU 107 -1.955 -0.360 -1.467 888 H TYR 108 HN TYR 108 0.200 -5.803 -1.466 889 HA TYR 108 HA TYR 108 1.308 -5.359 1.191 890 HB2 TYR 108 HB2 TYR 108 2.233 -7.088 -1.111 891 HB3 TYR 108 HB1 TYR 108 3.056 -6.972 0.440 892 HD1 TYR 108 HD1 TYR 108 -0.160 -7.967 -1.135 893 HD2 TYR 108 HD2 TYR 108 2.391 -8.298 2.251 894 HE1 TYR 108 HE1 TYR 108 -1.598 -9.731 -0.232 895 HE2 TYR 108 HE2 TYR 108 0.957 -10.073 3.163 896 HH TYR 108 HH TYR 108 -1.538 -10.744 2.895 897 H ILE 109 HN ILE 109 2.674 -3.795 1.598 898 HA ILE 109 HA ILE 109 4.240 -2.618 -0.608 899 HB ILE 109 HB ILE 109 3.576 -1.389 2.066 900 HG12 ILE 109 HG12 ILE 109 1.543 -1.668 0.708 901 HG13 ILE 109 HG11 ILE 109 1.969 0.029 0.894 902 HG21 ILE 109 HG21 ILE 109 5.636 -0.550 1.072 903 HG22 ILE 109 HG22 ILE 109 4.384 0.692 1.096 904 HG23 ILE 109 HG23 ILE 109 4.764 -0.149 -0.408 905 HD11 ILE 109 HD11 ILE 109 2.913 0.041 -1.344 906 HD12 ILE 109 HD12 ILE 109 1.225 -0.468 -1.360 907 HD13 ILE 109 HD13 ILE 109 2.510 -1.665 -1.530 908 H TYR 110 HN TYR 110 6.373 -3.004 -0.563 909 HA TYR 110 HA TYR 110 7.640 -3.498 2.050 910 HB2 TYR 110 HB2 TYR 110 8.318 -4.862 -0.561 911 HB3 TYR 110 HB1 TYR 110 9.192 -5.063 0.948 912 HD1 TYR 110 HD2 TYR 110 6.114 -5.865 -0.873 913 HD2 TYR 110 HD1 TYR 110 8.302 -6.443 2.728 914 HE1 TYR 110 HE2 TYR 110 4.650 -7.748 -0.290 915 HE2 TYR 110 HE1 TYR 110 6.844 -8.329 3.318 916 HH TYR 110 HH TYR 110 4.760 -9.272 2.835 917 H ILE 111 HN ILE 111 9.180 -2.080 2.481 918 HA ILE 111 HA ILE 111 10.608 -0.820 0.244 919 HB ILE 111 HB ILE 111 9.570 0.646 2.680 920 HG12 ILE 111 HG12 ILE 111 8.789 0.900 -0.235 921 HG13 ILE 111 HG11 ILE 111 7.826 0.099 0.999 922 HG21 ILE 111 HG21 ILE 111 11.744 1.477 1.941 923 HG22 ILE 111 HG22 ILE 111 10.472 2.651 1.600 924 HG23 ILE 111 HG23 ILE 111 11.126 1.655 0.298 925 HD11 ILE 111 HD11 ILE 111 7.583 2.213 2.182 926 HD12 ILE 111 HD12 ILE 111 6.992 2.326 0.525 927 HD13 ILE 111 HD13 ILE 111 8.558 3.015 0.951 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 2.646 22.929 -5.089 2 H2 GLY 1 HT2 GLY 1 4.322 23.108 -5.222 3 H3 GLY 1 HT3 GLY 1 3.634 22.688 -3.739 4 HA2 GLY 1 HA1 GLY 1 2.900 20.578 -4.626 5 HA3 GLY 1 HA2 GLY 1 3.586 21.018 -6.184 6 HA PRO 2 HA PRO 2 6.741 18.880 -3.386 7 HB2 PRO 2 HB2 PRO 2 6.858 16.470 -4.605 8 HB3 PRO 2 HB1 PRO 2 5.701 16.825 -3.317 9 HG2 PRO 2 HG2 PRO 2 5.288 16.764 -6.275 10 HG3 PRO 2 HG1 PRO 2 4.232 16.165 -4.983 11 HD2 PRO 2 HD2 PRO 2 3.852 18.550 -6.262 12 HD3 PRO 2 HD1 PRO 2 3.328 18.234 -4.598 13 H HIS 3 HN HIS 3 8.749 19.345 -3.883 14 HA HIS 3 HA HIS 3 9.655 20.241 -6.344 15 HB2 HIS 3 HB2 HIS 3 10.799 20.796 -4.293 16 HB3 HIS 3 HB1 HIS 3 11.191 19.108 -4.004 17 HD1 HIS 3 HD1 HIS 3 13.558 18.647 -4.465 18 HD2 HIS 3 HD2 HIS 3 12.043 21.573 -6.999 19 HE1 HIS 3 HE1 HIS 3 15.469 19.303 -5.958 20 HE2 HIS 3 HE2 HIS 3 14.573 21.194 -7.360 21 H MET 4 HN MET 4 9.694 16.989 -5.001 22 HA MET 4 HA MET 4 10.043 15.994 -7.702 23 HB2 MET 4 HB2 MET 4 12.332 16.033 -6.795 24 HB3 MET 4 HB1 MET 4 11.806 15.052 -5.436 25 HG2 MET 4 HG2 MET 4 12.980 13.763 -7.173 26 HG3 MET 4 HG1 MET 4 11.338 13.197 -6.876 27 HE1 MET 4 HE1 MET 4 12.452 16.381 -8.927 28 HE2 MET 4 HE2 MET 4 12.576 15.704 -10.551 29 HE3 MET 4 HE3 MET 4 13.696 15.186 -9.291 30 H SER 5 HN SER 5 8.755 14.356 -8.101 31 HA SER 5 HA SER 5 7.907 12.531 -6.024 32 HB2 SER 5 HB2 SER 5 5.461 12.911 -6.657 33 HB3 SER 5 HB1 SER 5 6.211 14.164 -5.669 34 HG SER 5 HG SER 5 6.701 15.038 -7.974 35 H VAL 6 HN VAL 6 7.416 10.544 -6.844 36 HA VAL 6 HA VAL 6 7.270 10.292 -9.772 37 HB VAL 6 HB VAL 6 8.636 8.213 -9.604 38 HG11 VAL 6 HG11 VAL 6 10.811 9.345 -9.378 39 HG12 VAL 6 HG12 VAL 6 9.988 10.754 -8.707 40 HG13 VAL 6 HG13 VAL 6 9.674 10.258 -10.370 41 HG21 VAL 6 HG21 VAL 6 10.094 8.004 -7.567 42 HG22 VAL 6 HG22 VAL 6 8.392 7.611 -7.320 43 HG23 VAL 6 HG23 VAL 6 9.026 9.164 -6.775 44 H GLN 7 HN GLN 7 6.072 8.537 -10.532 45 HA GLN 7 HA GLN 7 4.118 7.544 -8.612 46 HB2 GLN 7 HB2 GLN 7 2.741 6.972 -10.488 47 HB3 GLN 7 HB1 GLN 7 3.353 8.594 -10.745 48 HG2 GLN 7 HG2 GLN 7 4.419 6.096 -12.041 49 HG3 GLN 7 HG1 GLN 7 3.333 7.259 -12.794 50 HE21 GLN 7 HE21 GLN 7 6.564 6.576 -11.798 51 HE22 GLN 7 HE22 GLN 7 7.318 7.922 -12.585 52 H ILE 8 HN ILE 8 3.819 5.388 -8.152 53 HA ILE 8 HA ILE 8 6.033 3.663 -9.041 54 HB ILE 8 HB ILE 8 4.320 3.068 -6.649 55 HG12 ILE 8 HG12 ILE 8 5.155 5.341 -6.284 56 HG13 ILE 8 HG11 ILE 8 5.973 4.208 -5.219 57 HG21 ILE 8 HG21 ILE 8 6.327 1.864 -5.917 58 HG22 ILE 8 HG22 ILE 8 7.170 2.388 -7.374 59 HG23 ILE 8 HG23 ILE 8 5.778 1.310 -7.499 60 HD11 ILE 8 HD11 ILE 8 7.903 4.216 -6.722 61 HD12 ILE 8 HD12 ILE 8 7.525 5.824 -6.103 62 HD13 ILE 8 HD13 ILE 8 7.080 5.388 -7.753 63 HA PRO 9 HA PRO 9 2.833 1.321 -11.131 64 HB2 PRO 9 HB2 PRO 9 4.469 -0.623 -12.088 65 HB3 PRO 9 HB1 PRO 9 4.337 0.974 -12.830 66 HG2 PRO 9 HG2 PRO 9 6.431 -0.090 -10.981 67 HG3 PRO 9 HG1 PRO 9 6.619 0.933 -12.417 68 HD2 PRO 9 HD2 PRO 9 6.685 1.910 -9.879 69 HD3 PRO 9 HD1 PRO 9 6.113 2.857 -11.267 70 H VAL 10 HN VAL 10 1.521 -0.113 -10.231 71 HA VAL 10 HA VAL 10 2.611 -1.916 -8.191 72 HB VAL 10 HB VAL 10 0.944 -0.558 -7.205 73 HG11 VAL 10 HG11 VAL 10 -1.339 -0.343 -8.098 74 HG12 VAL 10 HG12 VAL 10 -0.843 -1.241 -9.534 75 HG13 VAL 10 HG13 VAL 10 -0.118 0.329 -9.177 76 HG21 VAL 10 HG21 VAL 10 0.803 -2.949 -6.634 77 HG22 VAL 10 HG22 VAL 10 -0.405 -3.166 -7.900 78 HG23 VAL 10 HG23 VAL 10 -0.756 -2.136 -6.512 79 H VAL 11 HN VAL 11 2.447 -4.053 -8.358 80 HA VAL 11 HA VAL 11 1.609 -5.190 -10.892 81 HB VAL 11 HB VAL 11 3.714 -5.794 -9.499 82 HG11 VAL 11 HG11 VAL 11 3.193 -6.382 -7.419 83 HG12 VAL 11 HG12 VAL 11 2.919 -7.968 -8.146 84 HG13 VAL 11 HG13 VAL 11 1.561 -6.884 -7.854 85 HG21 VAL 11 HG21 VAL 11 3.580 -8.197 -10.167 86 HG22 VAL 11 HG22 VAL 11 3.261 -7.040 -11.464 87 HG23 VAL 11 HG23 VAL 11 1.923 -7.888 -10.689 88 H GLU 12 HN GLU 12 -0.096 -6.715 -11.104 89 HA GLU 12 HA GLU 12 -1.622 -7.182 -8.633 90 HB2 GLU 12 HB2 GLU 12 -2.627 -7.139 -11.478 91 HB3 GLU 12 HB1 GLU 12 -3.589 -7.633 -10.088 92 HG2 GLU 12 HG2 GLU 12 -3.146 -5.384 -9.097 93 HG3 GLU 12 HG1 GLU 12 -2.417 -4.923 -10.631 94 H VAL 13 HN VAL 13 -0.593 -8.923 -7.931 95 HA VAL 13 HA VAL 13 -0.625 -11.316 -9.654 96 HB VAL 13 HB VAL 13 1.183 -12.188 -8.121 97 HG11 VAL 13 HG11 VAL 13 2.976 -10.931 -9.215 98 HG12 VAL 13 HG12 VAL 13 1.807 -9.711 -9.719 99 HG13 VAL 13 HG13 VAL 13 1.691 -11.355 -10.347 100 HG21 VAL 13 HG21 VAL 13 1.264 -9.305 -7.238 101 HG22 VAL 13 HG22 VAL 13 2.473 -10.527 -6.847 102 HG23 VAL 13 HG23 VAL 13 0.826 -10.690 -6.239 103 H ASP 14 HN ASP 14 -0.303 -13.315 -7.910 104 HA ASP 14 HA ASP 14 -2.732 -13.161 -6.293 105 HB2 ASP 14 HB2 ASP 14 -1.160 -15.469 -7.413 106 HB3 ASP 14 HB1 ASP 14 -2.339 -15.708 -6.125 107 H GLU 15 HN GLU 15 0.703 -13.409 -6.038 108 HA GLU 15 HA GLU 15 0.582 -12.646 -3.315 109 HB2 GLU 15 HB2 GLU 15 1.530 -14.539 -2.236 110 HB3 GLU 15 HB1 GLU 15 0.118 -15.092 -3.121 111 HG2 GLU 15 HG2 GLU 15 1.512 -16.006 -4.863 112 HG3 GLU 15 HG1 GLU 15 2.957 -15.376 -4.073 113 H LEU 16 HN LEU 16 2.924 -12.738 -2.344 114 HA LEU 16 HA LEU 16 4.559 -11.346 -4.245 115 HB2 LEU 16 HB2 LEU 16 5.241 -12.210 -1.437 116 HB3 LEU 16 HB1 LEU 16 6.128 -11.052 -2.402 117 HG LEU 16 HG LEU 16 4.984 -9.554 -1.198 118 HD11 LEU 16 HD11 LEU 16 2.904 -8.818 -2.177 119 HD12 LEU 16 HD12 LEU 16 2.734 -10.366 -3.006 120 HD13 LEU 16 HD13 LEU 16 4.057 -9.276 -3.434 121 HD21 LEU 16 HD21 LEU 16 2.910 -11.664 -0.742 122 HD22 LEU 16 HD22 LEU 16 2.810 -10.027 -0.097 123 HD23 LEU 16 HD23 LEU 16 4.133 -11.087 0.388 124 HA PRO 17 HA PRO 17 7.105 -14.750 -5.475 125 HB2 PRO 17 HB2 PRO 17 9.403 -13.444 -6.085 126 HB3 PRO 17 HB1 PRO 17 7.972 -13.403 -7.114 127 HG2 PRO 17 HG2 PRO 17 8.964 -11.372 -5.175 128 HG3 PRO 17 HG1 PRO 17 8.246 -11.134 -6.776 129 HD2 PRO 17 HD2 PRO 17 6.869 -10.802 -4.445 130 HD3 PRO 17 HD1 PRO 17 6.106 -11.282 -5.966 131 H GLU 18 HN GLU 18 9.307 -15.678 -5.020 132 HA GLU 18 HA GLU 18 9.640 -16.208 -2.333 133 HB2 GLU 18 HB2 GLU 18 11.809 -17.192 -2.976 134 HB3 GLU 18 HB1 GLU 18 10.517 -17.651 -4.079 135 HG2 GLU 18 HG2 GLU 18 11.287 -15.860 -5.621 136 HG3 GLU 18 HG1 GLU 18 12.654 -15.588 -4.542 137 H GLY 19 HN GLY 19 10.852 -15.402 -0.703 138 HA2 GLY 19 HA2 GLY 19 12.695 -14.147 0.164 139 HA3 GLY 19 HA1 GLY 19 12.648 -13.148 -1.279 140 H TYR 20 HN TYR 20 9.527 -13.367 -0.660 141 HA TYR 20 HA TYR 20 9.558 -10.917 0.941 142 HB2 TYR 20 HB2 TYR 20 7.572 -12.082 -0.980 143 HB3 TYR 20 HB1 TYR 20 7.112 -10.808 0.145 144 HD1 TYR 20 HD2 TYR 20 8.022 -8.569 -0.077 145 HD2 TYR 20 HD1 TYR 20 9.042 -11.629 -2.849 146 HE1 TYR 20 HE2 TYR 20 8.888 -6.868 -1.617 147 HE2 TYR 20 HE1 TYR 20 9.916 -9.938 -4.395 148 HH TYR 20 HH TYR 20 9.763 -7.628 -4.879 149 H ASP 21 HN ASP 21 8.395 -10.628 2.748 150 HA ASP 21 HA ASP 21 7.494 -13.048 4.127 151 HB2 ASP 21 HB2 ASP 21 9.123 -11.588 5.280 152 HB3 ASP 21 HB1 ASP 21 7.985 -10.249 5.185 153 H ARG 22 HN ARG 22 5.455 -13.441 3.406 154 HA ARG 22 HA ARG 22 3.596 -11.218 3.140 155 HB2 ARG 22 HB2 ARG 22 3.615 -12.712 1.269 156 HB3 ARG 22 HB1 ARG 22 3.425 -14.115 2.310 157 HG2 ARG 22 HG2 ARG 22 1.189 -13.612 2.771 158 HG3 ARG 22 HG1 ARG 22 1.347 -11.962 2.181 159 HD2 ARG 22 HD2 ARG 22 1.405 -12.656 -0.054 160 HD3 ARG 22 HD1 ARG 22 1.682 -14.339 0.380 161 HE ARG 22 HE ARG 22 -0.837 -12.957 1.041 162 HH11 ARG 22 HH11 ARG 22 0.878 -15.635 -0.430 163 HH12 ARG 22 HH12 ARG 22 -0.561 -16.549 -0.752 164 HH21 ARG 22 HH21 ARG 22 -2.727 -14.176 0.655 165 HH22 ARG 22 HH22 ARG 22 -2.617 -15.719 -0.133 166 H SER 23 HN SER 23 1.647 -11.076 4.170 167 HA SER 23 HA SER 23 0.847 -13.106 6.074 168 HB2 SER 23 HB2 SER 23 1.178 -10.189 6.827 169 HB3 SER 23 HB1 SER 23 0.498 -11.447 7.855 170 HG SER 23 HG SER 23 2.825 -12.345 7.036 171 H2 PRO 24 HT1 PRO 24 -23.163 10.067 11.113 172 H3 PRO 24 HT2 PRO 24 -23.263 9.260 12.528 173 HA PRO 24 HA PRO 24 -21.977 7.653 11.931 174 HB2 PRO 24 HB2 PRO 24 -22.113 7.548 9.076 175 HB3 PRO 24 HB1 PRO 24 -22.662 6.338 10.243 176 HG2 PRO 24 HG2 PRO 24 -24.193 8.476 8.888 177 HG3 PRO 24 HG1 PRO 24 -24.751 6.918 9.523 178 HD2 PRO 24 HD2 PRO 24 -25.363 9.195 10.772 179 HD3 PRO 24 HD1 PRO 24 -24.956 7.739 11.699 180 H HIS 25 HN HIS 25 -19.863 8.089 11.874 181 HA HIS 25 HA HIS 25 -18.950 10.585 10.793 182 HB2 HIS 25 HB2 HIS 25 -16.730 9.916 11.650 183 HB3 HIS 25 HB1 HIS 25 -17.981 9.781 12.876 184 HD1 HIS 25 HD1 HIS 25 -17.988 7.658 14.144 185 HD2 HIS 25 HD2 HIS 25 -16.100 7.250 10.465 186 HE1 HIS 25 HE1 HIS 25 -17.067 5.322 14.112 187 HE2 HIS 25 HE2 HIS 25 -16.101 5.041 11.807 188 H GLU 26 HN GLU 26 -19.153 7.356 9.675 189 HA GLU 26 HA GLU 26 -17.268 7.874 7.502 190 HB2 GLU 26 HB2 GLU 26 -17.202 5.684 8.717 191 HB3 GLU 26 HB1 GLU 26 -18.814 5.346 8.101 192 HG2 GLU 26 HG2 GLU 26 -17.186 4.212 6.752 193 HG3 GLU 26 HG1 GLU 26 -17.942 5.492 5.805 194 H GLN 27 HN GLN 27 -17.933 8.406 5.522 195 HA GLN 27 HA GLN 27 -20.826 8.557 5.087 196 HB2 GLN 27 HB2 GLN 27 -18.539 10.033 3.789 197 HB3 GLN 27 HB1 GLN 27 -20.209 10.157 3.253 198 HG2 GLN 27 HG2 GLN 27 -20.850 11.033 5.434 199 HG3 GLN 27 HG1 GLN 27 -19.182 10.899 5.984 200 HE21 GLN 27 HE21 GLN 27 -18.100 11.742 3.415 201 HE22 GLN 27 HE22 GLN 27 -18.361 13.447 3.323 202 H GLN 28 HN GLN 28 -21.779 7.769 3.293 203 HA GLN 28 HA GLN 28 -22.220 6.524 1.483 204 HB2 GLN 28 HB2 GLN 28 -19.324 7.071 0.982 205 HB3 GLN 28 HB1 GLN 28 -20.322 6.171 -0.156 206 HG2 GLN 28 HG2 GLN 28 -21.827 8.121 -0.282 207 HG3 GLN 28 HG1 GLN 28 -20.723 9.009 0.763 208 HE21 GLN 28 HE21 GLN 28 -19.754 6.758 -1.739 209 HE22 GLN 28 HE22 GLN 28 -19.015 7.931 -2.771 210 H GLU 29 HN GLU 29 -22.064 4.443 0.574 211 HA GLU 29 HA GLU 29 -20.702 2.502 2.328 212 HB2 GLU 29 HB2 GLU 29 -22.359 0.878 1.643 213 HB3 GLU 29 HB1 GLU 29 -23.170 2.330 2.205 214 HG2 GLU 29 HG2 GLU 29 -22.618 2.076 -0.691 215 HG3 GLU 29 HG1 GLU 29 -23.910 1.096 0.003 216 H ASP 30 HN ASP 30 -20.289 4.032 -0.480 217 HA ASP 30 HA ASP 30 -19.347 1.818 -2.097 218 HB2 ASP 30 HB2 ASP 30 -18.727 4.733 -2.554 219 HB3 ASP 30 HB1 ASP 30 -18.764 3.433 -3.734 220 H VAL 31 HN VAL 31 -18.251 3.570 0.478 221 HA VAL 31 HA VAL 31 -15.546 4.042 -0.327 222 HB VAL 31 HB VAL 31 -16.806 4.267 2.407 223 HG11 VAL 31 HG11 VAL 31 -14.927 5.759 2.914 224 HG12 VAL 31 HG12 VAL 31 -14.233 5.415 1.330 225 HG13 VAL 31 HG13 VAL 31 -14.378 4.129 2.525 226 HG21 VAL 31 HG21 VAL 31 -17.913 5.658 0.728 227 HG22 VAL 31 HG22 VAL 31 -16.360 6.377 0.300 228 HG23 VAL 31 HG23 VAL 31 -17.041 6.633 1.907 229 HA PRO 32 HA PRO 32 -14.200 -0.043 0.896 230 HB2 PRO 32 HB2 PRO 32 -11.617 0.319 0.123 231 HB3 PRO 32 HB1 PRO 32 -12.916 -0.093 -0.999 232 HG2 PRO 32 HG2 PRO 32 -11.659 2.558 -0.446 233 HG3 PRO 32 HG1 PRO 32 -12.190 1.867 -1.989 234 HD2 PRO 32 HD2 PRO 32 -13.630 3.714 -0.596 235 HD3 PRO 32 HD1 PRO 32 -14.371 2.507 -1.662 236 H GLU 33 HN GLU 33 -13.634 -0.625 2.877 237 HA GLU 33 HA GLU 33 -12.255 1.232 4.620 238 HB2 GLU 33 HB2 GLU 33 -14.277 0.017 5.430 239 HB3 GLU 33 HB1 GLU 33 -13.418 -1.501 5.220 240 HG2 GLU 33 HG2 GLU 33 -11.749 -0.759 6.859 241 HG3 GLU 33 HG1 GLU 33 -12.678 0.715 7.114 242 H TYR 34 HN TYR 34 -10.151 1.215 4.000 243 HA TYR 34 HA TYR 34 -8.728 -1.301 3.733 244 HB2 TYR 34 HB2 TYR 34 -7.799 1.567 3.575 245 HB3 TYR 34 HB1 TYR 34 -6.740 0.178 3.366 246 HD1 TYR 34 HD1 TYR 34 -7.310 -1.456 1.464 247 HD2 TYR 34 HD2 TYR 34 -8.946 2.459 1.758 248 HE1 TYR 34 HE1 TYR 34 -7.848 -1.506 -0.934 249 HE2 TYR 34 HE2 TYR 34 -9.488 2.419 -0.636 250 HH TYR 34 HH TYR 34 -9.270 -0.469 -2.523 251 H GLU 35 HN GLU 35 -6.955 -1.891 5.042 252 HA GLU 35 HA GLU 35 -6.831 -0.553 7.655 253 HB2 GLU 35 HB2 GLU 35 -7.999 -2.798 7.712 254 HB3 GLU 35 HB1 GLU 35 -6.474 -3.523 7.220 255 HG2 GLU 35 HG2 GLU 35 -5.439 -2.483 9.254 256 HG3 GLU 35 HG1 GLU 35 -7.065 -2.039 9.764 257 H VAL 36 HN VAL 36 -4.913 0.303 7.928 258 HA VAL 36 HA VAL 36 -2.636 -0.646 6.364 259 HB VAL 36 HB VAL 36 -2.895 1.830 8.082 260 HG11 VAL 36 HG11 VAL 36 -0.876 2.585 6.907 261 HG12 VAL 36 HG12 VAL 36 -0.775 1.025 6.093 262 HG13 VAL 36 HG13 VAL 36 -0.585 1.119 7.844 263 HG21 VAL 36 HG21 VAL 36 -3.096 1.517 5.088 264 HG22 VAL 36 HG22 VAL 36 -3.100 3.048 5.964 265 HG23 VAL 36 HG23 VAL 36 -4.421 1.901 6.186 266 H LYS 37 HN LYS 37 -1.068 -1.837 7.235 267 HA LYS 37 HA LYS 37 -0.693 -1.764 10.162 268 HB2 LYS 37 HB2 LYS 37 -0.384 -4.214 8.408 269 HB3 LYS 37 HB1 LYS 37 -0.146 -4.144 10.145 270 HG2 LYS 37 HG2 LYS 37 -2.234 -5.093 9.974 271 HG3 LYS 37 HG1 LYS 37 -2.626 -3.388 10.199 272 HD2 LYS 37 HD2 LYS 37 -3.899 -3.625 8.370 273 HD3 LYS 37 HD1 LYS 37 -2.382 -3.578 7.480 274 HE2 LYS 37 HE2 LYS 37 -3.671 -5.469 6.740 275 HE3 LYS 37 HE1 LYS 37 -2.258 -6.040 7.628 276 HZ1 LYS 37 HZ1 LYS 37 -4.726 -5.648 9.147 277 HZ2 LYS 37 HZ2 LYS 37 -3.530 -6.837 9.310 278 HZ3 LYS 37 HZ3 LYS 37 -4.681 -6.960 8.075 279 H MET 38 HN MET 38 1.274 -1.034 10.653 280 HA MET 38 HA MET 38 3.348 -1.130 8.574 281 HB2 MET 38 HB2 MET 38 2.443 0.979 10.037 282 HB3 MET 38 HB1 MET 38 3.824 0.467 10.999 283 HG2 MET 38 HG2 MET 38 5.325 0.887 9.317 284 HG3 MET 38 HG1 MET 38 4.105 0.799 8.057 285 HE1 MET 38 HE1 MET 38 5.810 2.978 7.377 286 HE2 MET 38 HE2 MET 38 4.725 4.368 7.275 287 HE3 MET 38 HE3 MET 38 4.183 2.779 6.720 288 H LYS 39 HN LYS 39 5.358 -2.058 8.961 289 HA LYS 39 HA LYS 39 5.803 -3.307 11.575 290 HB2 LYS 39 HB2 LYS 39 4.505 -4.765 9.750 291 HB3 LYS 39 HB1 LYS 39 6.141 -5.063 9.191 292 HG2 LYS 39 HG2 LYS 39 5.240 -5.554 12.018 293 HG3 LYS 39 HG1 LYS 39 5.199 -6.778 10.752 294 HD2 LYS 39 HD2 LYS 39 7.624 -6.525 10.455 295 HD3 LYS 39 HD1 LYS 39 7.649 -5.332 11.754 296 HE2 LYS 39 HE2 LYS 39 6.783 -8.209 12.027 297 HE3 LYS 39 HE1 LYS 39 8.341 -7.557 12.524 298 HZ1 LYS 39 HZ1 LYS 39 7.199 -6.125 14.099 299 HZ2 LYS 39 HZ2 LYS 39 6.839 -7.751 14.394 300 HZ3 LYS 39 HZ3 LYS 39 5.705 -6.761 13.626 301 H ARG 40 HN ARG 40 7.896 -3.283 12.127 302 HA ARG 40 HA ARG 40 9.821 -2.218 10.268 303 HB2 ARG 40 HB2 ARG 40 9.562 -2.445 13.178 304 HB3 ARG 40 HB1 ARG 40 11.201 -2.667 12.580 305 HG2 ARG 40 HG2 ARG 40 9.437 -0.314 11.982 306 HG3 ARG 40 HG1 ARG 40 10.739 -0.344 13.173 307 HD2 ARG 40 HD2 ARG 40 12.311 -0.913 11.347 308 HD3 ARG 40 HD1 ARG 40 10.983 -0.732 10.202 309 HE ARG 40 HE ARG 40 10.973 1.639 11.480 310 HH11 ARG 40 HH11 ARG 40 13.517 -0.195 9.926 311 HH12 ARG 40 HH12 ARG 40 14.443 1.206 9.499 312 HH21 ARG 40 HH21 ARG 40 12.192 3.493 10.903 313 HH22 ARG 40 HH22 ARG 40 13.695 3.297 10.054 314 H PHE 41 HN PHE 41 11.629 -3.150 9.564 315 HA PHE 41 HA PHE 41 12.216 -5.921 10.370 316 HB2 PHE 41 HB2 PHE 41 12.032 -4.816 7.571 317 HB3 PHE 41 HB1 PHE 41 13.009 -6.230 7.935 318 HD1 PHE 41 HD1 PHE 41 9.540 -4.924 8.277 319 HD2 PHE 41 HD2 PHE 41 12.062 -8.328 7.898 320 HE1 PHE 41 HE1 PHE 41 7.561 -6.364 8.054 321 HE2 PHE 41 HE2 PHE 41 10.085 -9.773 7.674 322 HZ PHE 41 HZ PHE 41 7.831 -8.791 7.752 323 H LYS 42 HN LYS 42 14.433 -6.518 10.208 324 HA LYS 42 HA LYS 42 16.340 -4.362 9.693 325 HB2 LYS 42 HB2 LYS 42 16.242 -5.958 12.262 326 HB3 LYS 42 HB1 LYS 42 17.583 -4.929 11.784 327 HG2 LYS 42 HG2 LYS 42 16.036 -2.999 11.763 328 HG3 LYS 42 HG1 LYS 42 14.765 -4.058 12.370 329 HD2 LYS 42 HD2 LYS 42 16.133 -4.529 14.360 330 HD3 LYS 42 HD1 LYS 42 17.371 -3.425 13.754 331 HE2 LYS 42 HE2 LYS 42 15.687 -1.606 13.772 332 HE3 LYS 42 HE1 LYS 42 14.534 -2.724 14.496 333 HZ1 LYS 42 HZ1 LYS 42 15.549 -1.381 16.189 334 HZ2 LYS 42 HZ2 LYS 42 17.098 -1.830 15.688 335 HZ3 LYS 42 HZ3 LYS 42 16.069 -2.981 16.376 336 H GLY 43 HN GLY 43 17.740 -5.128 8.272 337 HA2 GLY 43 HA2 GLY 43 19.439 -6.539 7.503 338 HA3 GLY 43 HA1 GLY 43 18.936 -7.752 8.669 339 H ALA 44 HN ALA 44 16.457 -6.353 6.783 340 HA ALA 44 HA ALA 44 16.229 -8.870 5.278 341 HB1 ALA 44 HB1 ALA 44 13.841 -8.418 5.148 342 HB2 ALA 44 HB2 ALA 44 14.070 -6.885 5.988 343 HB3 ALA 44 HB3 ALA 44 14.382 -8.404 6.826 344 H ALA 45 HN ALA 45 14.978 -8.568 3.160 345 HA ALA 45 HA ALA 45 16.396 -6.771 1.472 346 HB1 ALA 45 HB1 ALA 45 14.961 -7.625 -0.305 347 HB2 ALA 45 HB2 ALA 45 13.909 -8.378 0.892 348 HB3 ALA 45 HB3 ALA 45 15.567 -8.943 0.697 349 H TYR 46 HN TYR 46 13.934 -6.242 3.575 350 HA TYR 46 HA TYR 46 13.347 -3.635 2.439 351 HB2 TYR 46 HB2 TYR 46 10.863 -4.268 3.331 352 HB3 TYR 46 HB1 TYR 46 11.358 -4.457 1.647 353 HD1 TYR 46 HD2 TYR 46 11.157 -6.321 4.874 354 HD2 TYR 46 HD1 TYR 46 11.260 -6.543 0.627 355 HE1 TYR 46 HE2 TYR 46 10.740 -8.737 4.994 356 HE2 TYR 46 HE1 TYR 46 10.849 -8.961 0.737 357 HH TYR 46 HH TYR 46 11.090 -10.796 2.266 358 H LYS 47 HN LYS 47 12.982 -2.108 4.046 359 HA LYS 47 HA LYS 47 13.815 -3.027 6.704 360 HB2 LYS 47 HB2 LYS 47 13.669 -0.240 5.533 361 HB3 LYS 47 HB1 LYS 47 14.194 -0.606 7.165 362 HG2 LYS 47 HG2 LYS 47 16.148 -0.255 5.895 363 HG3 LYS 47 HG1 LYS 47 16.032 -1.996 6.154 364 HD2 LYS 47 HD2 LYS 47 16.682 -1.570 3.871 365 HD3 LYS 47 HD1 LYS 47 15.044 -2.225 3.893 366 HE2 LYS 47 HE2 LYS 47 14.199 0.133 3.745 367 HE3 LYS 47 HE1 LYS 47 15.866 0.650 3.500 368 HZ1 LYS 47 HZ1 LYS 47 15.928 -0.853 1.550 369 HZ2 LYS 47 HZ2 LYS 47 14.814 0.410 1.382 370 HZ3 LYS 47 HZ3 LYS 47 14.273 -1.151 1.758 371 H LEU 48 HN LEU 48 11.158 -1.778 4.957 372 HA LEU 48 HA LEU 48 9.554 -1.796 7.416 373 HB2 LEU 48 HB2 LEU 48 10.273 0.530 6.217 374 HB3 LEU 48 HB1 LEU 48 8.794 0.175 5.349 375 HG LEU 48 HG LEU 48 8.340 1.658 7.218 376 HD11 LEU 48 HD11 LEU 48 6.511 0.278 6.756 377 HD12 LEU 48 HD12 LEU 48 6.734 0.173 8.502 378 HD13 LEU 48 HD13 LEU 48 7.289 -1.134 7.467 379 HD21 LEU 48 HD21 LEU 48 10.232 0.960 8.630 380 HD22 LEU 48 HD22 LEU 48 9.373 -0.540 8.993 381 HD23 LEU 48 HD23 LEU 48 8.701 1.007 9.503 382 H ARG 49 HN ARG 49 7.716 -2.900 7.233 383 HA ARG 49 HA ARG 49 6.740 -3.563 4.523 384 HB2 ARG 49 HB2 ARG 49 7.544 -5.501 5.931 385 HB3 ARG 49 HB1 ARG 49 6.248 -5.132 7.059 386 HG2 ARG 49 HG2 ARG 49 4.673 -5.400 5.070 387 HG3 ARG 49 HG1 ARG 49 6.044 -6.147 4.247 388 HD2 ARG 49 HD2 ARG 49 4.775 -7.908 5.219 389 HD3 ARG 49 HD1 ARG 49 6.230 -7.718 6.201 390 HE ARG 49 HE ARG 49 4.083 -6.160 7.226 391 HH11 ARG 49 HH11 ARG 49 5.320 -9.447 7.105 392 HH12 ARG 49 HH12 ARG 49 4.488 -9.932 8.546 393 HH21 ARG 49 HH21 ARG 49 3.013 -6.807 9.117 394 HH22 ARG 49 HH22 ARG 49 3.188 -8.432 9.698 395 H ILE 50 HN ILE 50 4.844 -2.657 4.019 396 HA ILE 50 HA ILE 50 3.049 -1.891 6.239 397 HB ILE 50 HB ILE 50 3.170 -0.443 3.580 398 HG12 ILE 50 HG12 ILE 50 4.142 1.467 4.935 399 HG13 ILE 50 HG11 ILE 50 4.462 0.300 6.208 400 HG21 ILE 50 HG21 ILE 50 1.038 -0.346 4.753 401 HG22 ILE 50 HG22 ILE 50 1.824 1.233 4.728 402 HG23 ILE 50 HG23 ILE 50 1.855 0.257 6.195 403 HD11 ILE 50 HD11 ILE 50 6.024 -0.858 4.858 404 HD12 ILE 50 HD12 ILE 50 6.407 0.863 4.762 405 HD13 ILE 50 HD13 ILE 50 5.569 0.069 3.427 406 H LEU 51 HN LEU 51 1.076 -2.749 6.164 407 HA LEU 51 HA LEU 51 0.329 -4.198 3.715 408 HB2 LEU 51 HB2 LEU 51 0.366 -4.957 6.523 409 HB3 LEU 51 HB1 LEU 51 -1.212 -5.201 5.804 410 HG LEU 51 HG LEU 51 0.150 -7.231 5.720 411 HD11 LEU 51 HD11 LEU 51 -0.366 -5.988 3.026 412 HD12 LEU 51 HD12 LEU 51 -1.525 -6.884 4.008 413 HD13 LEU 51 HD13 LEU 51 -0.120 -7.707 3.331 414 HD21 LEU 51 HD21 LEU 51 2.358 -6.213 5.590 415 HD22 LEU 51 HD22 LEU 51 1.998 -5.611 3.973 416 HD23 LEU 51 HD23 LEU 51 2.111 -7.347 4.263 417 H ILE 52 HN ILE 52 -1.285 -3.266 2.655 418 HA ILE 52 HA ILE 52 -3.382 -1.949 4.252 419 HB ILE 52 HB ILE 52 -2.595 -1.172 1.437 420 HG12 ILE 52 HG12 ILE 52 -1.997 1.025 2.825 421 HG13 ILE 52 HG11 ILE 52 -1.705 -0.158 4.099 422 HG21 ILE 52 HG21 ILE 52 -4.071 0.735 1.800 423 HG22 ILE 52 HG22 ILE 52 -4.459 0.135 3.413 424 HG23 ILE 52 HG23 ILE 52 -4.942 -0.790 1.991 425 HD11 ILE 52 HD11 ILE 52 -0.098 -1.300 2.695 426 HD12 ILE 52 HD12 ILE 52 0.330 0.400 2.885 427 HD13 ILE 52 HD13 ILE 52 -0.409 -0.161 1.385 428 H GLU 53 HN GLU 53 -4.946 -3.428 4.308 429 HA GLU 53 HA GLU 53 -5.603 -4.829 1.809 430 HB2 GLU 53 HB2 GLU 53 -6.522 -6.602 3.109 431 HB3 GLU 53 HB1 GLU 53 -4.954 -6.214 3.806 432 HG2 GLU 53 HG2 GLU 53 -6.064 -4.904 5.541 433 HG3 GLU 53 HG1 GLU 53 -7.627 -5.316 4.853 434 H ASN 54 HN ASN 54 -7.789 -5.095 1.258 435 HA ASN 54 HA ASN 54 -9.518 -2.952 2.259 436 HB2 ASN 54 HB2 ASN 54 -9.230 -3.172 -0.211 437 HB3 ASN 54 HB1 ASN 54 -9.933 -4.780 -0.099 438 HD21 ASN 54 HD21 ASN 54 -11.053 -2.085 1.825 439 HD22 ASN 54 HD22 ASN 54 -12.591 -1.949 1.048 440 H LYS 55 HN LYS 55 -10.799 -3.502 3.862 441 HA LYS 55 HA LYS 55 -12.243 -6.037 3.665 442 HB2 LYS 55 HB2 LYS 55 -12.021 -6.094 6.244 443 HB3 LYS 55 HB1 LYS 55 -10.657 -6.633 5.273 444 HG2 LYS 55 HG2 LYS 55 -9.491 -4.582 5.631 445 HG3 LYS 55 HG1 LYS 55 -10.905 -3.845 6.386 446 HD2 LYS 55 HD2 LYS 55 -9.552 -6.291 7.494 447 HD3 LYS 55 HD1 LYS 55 -9.086 -4.651 7.950 448 HE2 LYS 55 HE2 LYS 55 -11.896 -5.688 8.171 449 HE3 LYS 55 HE1 LYS 55 -10.726 -5.806 9.484 450 HZ1 LYS 55 HZ1 LYS 55 -11.827 -3.339 8.253 451 HZ2 LYS 55 HZ2 LYS 55 -10.496 -3.339 9.301 452 HZ3 LYS 55 HZ3 LYS 55 -12.000 -3.871 9.850 453 H ALA 56 HN ALA 56 -14.036 -4.798 2.933 454 HA ALA 56 HA ALA 56 -15.445 -3.641 5.236 455 HB1 ALA 56 HB1 ALA 56 -14.669 -1.820 3.753 456 HB2 ALA 56 HB2 ALA 56 -16.425 -1.918 3.863 457 HB3 ALA 56 HB3 ALA 56 -15.595 -2.541 2.440 458 HA PRO 57 HA PRO 57 -18.872 -6.276 4.028 459 HB2 PRO 57 HB2 PRO 57 -20.932 -4.599 4.657 460 HB3 PRO 57 HB1 PRO 57 -20.032 -5.517 5.871 461 HG2 PRO 57 HG2 PRO 57 -19.639 -2.678 4.974 462 HG3 PRO 57 HG1 PRO 57 -19.746 -3.309 6.635 463 HD2 PRO 57 HD2 PRO 57 -17.378 -2.779 5.563 464 HD3 PRO 57 HD1 PRO 57 -17.604 -4.263 6.519 465 H ASN 58 HN ASN 58 -18.779 -2.899 3.110 466 HA ASN 58 HA ASN 58 -19.803 -3.564 0.464 467 HB2 ASN 58 HB2 ASN 58 -20.798 -1.298 2.210 468 HB3 ASN 58 HB1 ASN 58 -21.182 -1.482 0.499 469 HD21 ASN 58 HD21 ASN 58 -21.628 -2.801 3.692 470 HD22 ASN 58 HD22 ASN 58 -22.971 -3.815 3.305 471 H SER 59 HN SER 59 -17.981 -3.270 -0.570 472 HA SER 59 HA SER 59 -16.855 -0.603 -0.709 473 HB2 SER 59 HB2 SER 59 -14.507 -1.645 -0.445 474 HB3 SER 59 HB1 SER 59 -15.457 -1.414 1.019 475 HG SER 59 HG SER 59 -16.127 -3.769 0.209 476 H LYS 60 HN LYS 60 -16.338 -0.116 -2.713 477 HA LYS 60 HA LYS 60 -16.067 -2.288 -4.662 478 HB2 LYS 60 HB2 LYS 60 -17.204 -0.756 -6.263 479 HB3 LYS 60 HB1 LYS 60 -18.198 -1.228 -4.890 480 HG2 LYS 60 HG2 LYS 60 -17.786 0.902 -3.813 481 HG3 LYS 60 HG1 LYS 60 -16.751 1.394 -5.156 482 HD2 LYS 60 HD2 LYS 60 -18.929 2.394 -5.430 483 HD3 LYS 60 HD1 LYS 60 -18.697 1.169 -6.677 484 HE2 LYS 60 HE2 LYS 60 -20.087 -0.383 -5.513 485 HE3 LYS 60 HE1 LYS 60 -20.150 0.655 -4.092 486 HZ1 LYS 60 HZ1 LYS 60 -21.387 2.278 -5.340 487 HZ2 LYS 60 HZ2 LYS 60 -22.173 0.779 -5.416 488 HZ3 LYS 60 HZ3 LYS 60 -21.286 1.336 -6.744 489 HA PRO 61 HA PRO 61 -12.166 0.244 -4.901 490 HB2 PRO 61 HB2 PRO 61 -10.589 -1.925 -5.416 491 HB3 PRO 61 HB1 PRO 61 -10.930 -1.323 -3.792 492 HG2 PRO 61 HG2 PRO 61 -12.202 -3.583 -5.284 493 HG3 PRO 61 HG1 PRO 61 -11.699 -3.511 -3.585 494 HD2 PRO 61 HD2 PRO 61 -14.275 -3.210 -4.314 495 HD3 PRO 61 HD1 PRO 61 -13.578 -2.314 -2.951 496 H ASP 62 HN ASP 62 -11.371 0.990 -6.742 497 HA ASP 62 HA ASP 62 -12.380 -0.198 -9.234 498 HB2 ASP 62 HB2 ASP 62 -13.150 2.077 -8.826 499 HB3 ASP 62 HB1 ASP 62 -11.488 2.627 -8.634 500 H ARG 63 HN ARG 63 -9.553 1.663 -8.123 501 HA ARG 63 HA ARG 63 -7.738 -0.217 -9.299 502 HB2 ARG 63 HB2 ARG 63 -6.757 1.286 -10.936 503 HB3 ARG 63 HB1 ARG 63 -8.461 1.039 -11.292 504 HG2 ARG 63 HG2 ARG 63 -8.823 3.215 -9.959 505 HG3 ARG 63 HG1 ARG 63 -7.094 3.468 -10.215 506 HD2 ARG 63 HD2 ARG 63 -9.138 2.980 -12.367 507 HD3 ARG 63 HD1 ARG 63 -8.462 4.551 -11.939 508 HE ARG 63 HE ARG 63 -6.379 2.744 -12.569 509 HH11 ARG 63 HH11 ARG 63 -8.917 4.630 -14.051 510 HH12 ARG 63 HH12 ARG 63 -8.122 4.744 -15.586 511 HH21 ARG 63 HH21 ARG 63 -5.324 2.873 -14.608 512 HH22 ARG 63 HH22 ARG 63 -6.080 3.745 -15.905 513 H PHE 64 HN PHE 64 -5.444 0.702 -9.166 514 HA PHE 64 HA PHE 64 -5.217 2.492 -6.843 515 HB2 PHE 64 HB2 PHE 64 -3.657 -0.029 -7.436 516 HB3 PHE 64 HB1 PHE 64 -3.149 1.159 -6.241 517 HD1 PHE 64 HD1 PHE 64 -5.652 -1.390 -7.071 518 HD2 PHE 64 HD2 PHE 64 -4.249 1.343 -4.137 519 HE1 PHE 64 HE1 PHE 64 -7.054 -2.497 -5.380 520 HE2 PHE 64 HE2 PHE 64 -5.648 0.245 -2.436 521 HZ PHE 64 HZ PHE 64 -7.054 -1.679 -3.057 522 H SER 65 HN SER 65 -3.878 4.175 -7.103 523 HA SER 65 HA SER 65 -1.746 3.943 -9.103 524 HB2 SER 65 HB2 SER 65 -3.522 6.372 -8.735 525 HB3 SER 65 HB1 SER 65 -2.123 6.279 -9.803 526 HG SER 65 HG SER 65 -3.610 4.234 -10.442 527 HA PRO 66 HA PRO 66 -0.137 5.395 -5.050 528 HB2 PRO 66 HB2 PRO 66 1.866 3.606 -4.839 529 HB3 PRO 66 HB1 PRO 66 0.210 3.234 -4.349 530 HG2 PRO 66 HG2 PRO 66 1.676 2.448 -6.824 531 HG3 PRO 66 HG1 PRO 66 0.515 1.524 -5.861 532 HD2 PRO 66 HD2 PRO 66 -0.076 2.832 -8.218 533 HD3 PRO 66 HD1 PRO 66 -1.268 2.386 -6.980 534 H SER 67 HN SER 67 1.689 6.608 -4.645 535 HA SER 67 HA SER 67 3.834 6.761 -6.567 536 HB2 SER 67 HB2 SER 67 2.154 9.235 -6.138 537 HB3 SER 67 HB1 SER 67 3.517 9.038 -7.237 538 HG SER 67 HG SER 67 1.703 7.166 -7.795 539 H TYR 68 HN TYR 68 5.630 7.879 -5.790 540 HA TYR 68 HA TYR 68 5.512 8.475 -2.913 541 HB2 TYR 68 HB2 TYR 68 6.952 6.596 -3.311 542 HB3 TYR 68 HB1 TYR 68 7.770 7.429 -4.625 543 HD1 TYR 68 HD2 TYR 68 7.076 7.876 -0.971 544 HD2 TYR 68 HD1 TYR 68 9.821 8.375 -4.188 545 HE1 TYR 68 HE2 TYR 68 8.759 8.742 0.600 546 HE2 TYR 68 HE1 TYR 68 11.502 9.248 -2.619 547 HH TYR 68 HH TYR 68 11.180 9.019 0.757 548 H ASN 69 HN ASN 69 5.603 10.539 -2.456 549 HA ASN 69 HA ASN 69 7.036 12.346 -4.262 550 HB2 ASN 69 HB2 ASN 69 5.986 14.128 -2.701 551 HB3 ASN 69 HB1 ASN 69 4.953 13.298 -3.856 552 HD21 ASN 69 HD21 ASN 69 5.713 13.783 -0.531 553 HD22 ASN 69 HD22 ASN 69 4.352 12.945 0.121 554 H PHE 70 HN PHE 70 9.061 12.758 -3.851 555 HA PHE 70 HA PHE 70 10.411 11.869 -1.542 556 HB2 PHE 70 HB2 PHE 70 11.260 13.799 -3.710 557 HB3 PHE 70 HB1 PHE 70 12.339 13.200 -2.460 558 HD1 PHE 70 HD2 PHE 70 10.194 12.110 -5.282 559 HD2 PHE 70 HD1 PHE 70 13.475 11.193 -2.734 560 HE1 PHE 70 HE2 PHE 70 10.751 10.179 -6.698 561 HE2 PHE 70 HE1 PHE 70 14.040 9.261 -4.149 562 HZ PHE 70 HZ PHE 70 12.675 8.750 -6.133 563 H ALA 71 HN ALA 71 9.024 14.910 -2.455 564 HA ALA 71 HA ALA 71 10.336 16.682 -0.791 565 HB1 ALA 71 HB1 ALA 71 8.798 17.320 -2.587 566 HB2 ALA 71 HB2 ALA 71 8.409 18.126 -1.066 567 HB3 ALA 71 HB3 ALA 71 7.440 16.757 -1.613 568 H GLU 72 HN GLU 72 7.537 14.638 -0.077 569 HA GLU 72 HA GLU 72 7.696 15.515 2.732 570 HB2 GLU 72 HB2 GLU 72 5.352 14.051 1.572 571 HB3 GLU 72 HB1 GLU 72 5.411 15.084 2.990 572 HG2 GLU 72 HG2 GLU 72 5.701 16.056 0.163 573 HG3 GLU 72 HG1 GLU 72 4.192 16.062 1.075 574 H ASN 73 HN ASN 73 8.701 13.190 0.772 575 HA ASN 73 HA ASN 73 9.124 10.974 0.768 576 HB2 ASN 73 HB2 ASN 73 10.107 10.059 2.877 577 HB3 ASN 73 HB1 ASN 73 10.821 11.573 2.343 578 HD21 ASN 73 HD21 ASN 73 8.658 10.095 4.643 579 HD22 ASN 73 HD22 ASN 73 8.700 11.375 5.803 580 H ILE 74 HN ILE 74 6.507 11.297 0.643 581 HA ILE 74 HA ILE 74 5.433 9.227 2.443 582 HB ILE 74 HB ILE 74 4.098 11.694 1.341 583 HG12 ILE 74 HG12 ILE 74 4.199 10.741 4.190 584 HG13 ILE 74 HG11 ILE 74 5.535 11.642 3.488 585 HG21 ILE 74 HG21 ILE 74 2.018 10.902 2.388 586 HG22 ILE 74 HG22 ILE 74 2.796 9.359 2.739 587 HG23 ILE 74 HG23 ILE 74 2.537 9.856 1.067 588 HD11 ILE 74 HD11 ILE 74 3.995 13.482 3.001 589 HD12 ILE 74 HD12 ILE 74 4.109 13.108 4.720 590 HD13 ILE 74 HD13 ILE 74 2.699 12.582 3.795 591 H LEU 75 HN LEU 75 4.381 7.554 1.574 592 HA LEU 75 HA LEU 75 4.235 7.396 -1.354 593 HB2 LEU 75 HB2 LEU 75 5.602 5.711 -0.106 594 HB3 LEU 75 HB1 LEU 75 4.153 5.194 0.723 595 HG LEU 75 HG LEU 75 4.980 3.734 -1.182 596 HD11 LEU 75 HD11 LEU 75 2.151 4.762 -1.275 597 HD12 LEU 75 HD12 LEU 75 2.765 3.443 -0.278 598 HD13 LEU 75 HD13 LEU 75 2.721 3.274 -2.034 599 HD21 LEU 75 HD21 LEU 75 4.308 4.410 -3.441 600 HD22 LEU 75 HD22 LEU 75 5.541 5.469 -2.763 601 HD23 LEU 75 HD23 LEU 75 3.863 6.000 -2.821 602 H TYR 76 HN TYR 76 2.252 8.180 -1.918 603 HA TYR 76 HA TYR 76 -0.037 7.547 -0.236 604 HB2 TYR 76 HB2 TYR 76 -0.994 9.416 -1.062 605 HB3 TYR 76 HB1 TYR 76 0.611 9.792 -1.670 606 HD1 TYR 76 HD1 TYR 76 1.133 9.499 -4.050 607 HD2 TYR 76 HD2 TYR 76 -2.772 8.749 -2.538 608 HE1 TYR 76 HE1 TYR 76 0.233 9.560 -6.340 609 HE2 TYR 76 HE2 TYR 76 -3.677 8.809 -4.821 610 HH TYR 76 HH TYR 76 -1.722 8.664 -7.572 611 H ILE 77 HN ILE 77 -1.786 6.329 -0.887 612 HA ILE 77 HA ILE 77 -1.201 4.426 -3.029 613 HB ILE 77 HB ILE 77 -3.295 4.344 -0.850 614 HG12 ILE 77 HG12 ILE 77 -1.002 4.064 -0.008 615 HG13 ILE 77 HG11 ILE 77 -1.917 2.567 0.125 616 HG21 ILE 77 HG21 ILE 77 -3.668 2.023 -1.552 617 HG22 ILE 77 HG22 ILE 77 -2.556 2.261 -2.899 618 HG23 ILE 77 HG23 ILE 77 -4.063 3.175 -2.828 619 HD11 ILE 77 HD11 ILE 77 -0.809 1.746 -1.913 620 HD12 ILE 77 HD12 ILE 77 0.325 2.105 -0.611 621 HD13 ILE 77 HD13 ILE 77 0.149 3.226 -1.962 622 H ASN 78 HN ASN 78 -4.067 6.108 -1.775 623 HA ASN 78 HA ASN 78 -4.803 6.957 -4.451 624 HB2 ASN 78 HB2 ASN 78 -6.451 5.044 -2.811 625 HB3 ASN 78 HB1 ASN 78 -7.243 6.190 -3.881 626 HD21 ASN 78 HD21 ASN 78 -7.254 3.313 -4.004 627 HD22 ASN 78 HD22 ASN 78 -6.593 2.881 -5.542 628 H GLY 79 HN GLY 79 -7.223 8.076 -3.990 629 HA2 GLY 79 HA2 GLY 79 -6.626 10.244 -2.219 630 HA3 GLY 79 HA1 GLY 79 -8.134 9.996 -3.088 631 H LYS 80 HN LYS 80 -7.459 7.222 -1.462 632 HA LYS 80 HA LYS 80 -9.499 7.745 0.527 633 HB2 LYS 80 HB2 LYS 80 -7.911 5.217 0.024 634 HB3 LYS 80 HB1 LYS 80 -9.405 5.358 0.939 635 HG2 LYS 80 HG2 LYS 80 -9.198 5.984 -1.988 636 HG3 LYS 80 HG1 LYS 80 -9.622 4.390 -1.361 637 HD2 LYS 80 HD2 LYS 80 -11.549 5.339 -0.212 638 HD3 LYS 80 HD1 LYS 80 -11.112 6.947 -0.788 639 HE2 LYS 80 HE2 LYS 80 -11.746 4.626 -2.599 640 HE3 LYS 80 HE1 LYS 80 -12.934 5.818 -2.083 641 HZ1 LYS 80 HZ1 LYS 80 -10.481 6.354 -3.665 642 HZ2 LYS 80 HZ2 LYS 80 -11.541 7.542 -3.101 643 HZ3 LYS 80 HZ3 LYS 80 -12.074 6.403 -4.230 644 H LEU 81 HN LEU 81 -6.125 6.808 0.303 645 HA LEU 81 HA LEU 81 -5.516 7.944 2.843 646 HB2 LEU 81 HB2 LEU 81 -4.541 5.714 3.684 647 HB3 LEU 81 HB1 LEU 81 -6.250 6.033 3.875 648 HG LEU 81 HG LEU 81 -6.735 4.594 1.927 649 HD11 LEU 81 HD11 LEU 81 -5.025 3.213 0.940 650 HD12 LEU 81 HD12 LEU 81 -3.798 3.921 1.992 651 HD13 LEU 81 HD13 LEU 81 -4.577 4.912 0.759 652 HD21 LEU 81 HD21 LEU 81 -6.124 2.466 3.001 653 HD22 LEU 81 HD22 LEU 81 -6.815 3.638 4.124 654 HD23 LEU 81 HD23 LEU 81 -5.074 3.354 4.105 655 H SER 82 HN SER 82 -3.314 8.061 3.319 656 HA SER 82 HA SER 82 -1.507 7.272 1.139 657 HB2 SER 82 HB2 SER 82 -0.180 9.343 1.732 658 HB3 SER 82 HB1 SER 82 -1.752 9.654 0.995 659 HG SER 82 HG SER 82 -2.539 10.339 2.894 660 H ILE 83 HN ILE 83 0.592 6.590 1.776 661 HA ILE 83 HA ILE 83 0.724 5.800 4.607 662 HB ILE 83 HB ILE 83 2.244 4.660 2.255 663 HG12 ILE 83 HG12 ILE 83 -0.124 4.131 2.068 664 HG13 ILE 83 HG11 ILE 83 0.767 2.687 2.538 665 HG21 ILE 83 HG21 ILE 83 3.449 4.447 4.364 666 HG22 ILE 83 HG22 ILE 83 2.884 2.875 3.797 667 HG23 ILE 83 HG23 ILE 83 2.034 3.697 5.105 668 HD11 ILE 83 HD11 ILE 83 -1.314 2.855 3.755 669 HD12 ILE 83 HD12 ILE 83 -0.853 4.444 4.364 670 HD13 ILE 83 HD13 ILE 83 0.056 3.014 4.854 671 HA PRO 84 HA PRO 84 4.006 8.923 4.563 672 HB2 PRO 84 HB2 PRO 84 4.007 9.357 7.231 673 HB3 PRO 84 HB1 PRO 84 2.840 10.111 6.141 674 HG2 PRO 84 HG2 PRO 84 2.509 7.753 7.939 675 HG3 PRO 84 HG1 PRO 84 1.364 9.056 7.577 676 HD2 PRO 84 HD2 PRO 84 1.263 6.560 6.444 677 HD3 PRO 84 HD1 PRO 84 0.605 8.022 5.684 678 H LEU 85 HN LEU 85 6.113 8.514 4.676 679 HA LEU 85 HA LEU 85 6.905 5.998 5.958 680 HB2 LEU 85 HB2 LEU 85 8.358 7.614 3.862 681 HB3 LEU 85 HB1 LEU 85 8.779 6.003 4.416 682 HG LEU 85 HG LEU 85 6.259 6.729 2.920 683 HD11 LEU 85 HD11 LEU 85 7.261 5.483 1.072 684 HD12 LEU 85 HD12 LEU 85 8.736 5.277 2.016 685 HD13 LEU 85 HD13 LEU 85 8.229 6.890 1.514 686 HD21 LEU 85 HD21 LEU 85 7.339 4.049 3.792 687 HD22 LEU 85 HD22 LEU 85 5.931 4.303 2.760 688 HD23 LEU 85 HD23 LEU 85 5.910 4.859 4.434 689 HA PRO 86 HA PRO 86 9.242 8.198 8.973 690 HB2 PRO 86 HB2 PRO 86 11.173 6.358 9.527 691 HB3 PRO 86 HB1 PRO 86 9.509 6.222 10.106 692 HG2 PRO 86 HG2 PRO 86 10.834 4.872 7.799 693 HG3 PRO 86 HG1 PRO 86 9.673 4.215 8.965 694 HD2 PRO 86 HD2 PRO 86 8.984 4.990 6.449 695 HD3 PRO 86 HD1 PRO 86 7.865 5.061 7.827 696 H ARG 87 HN ARG 87 10.931 9.565 9.040 697 HA ARG 87 HA ARG 87 12.353 10.037 6.601 698 HB2 ARG 87 HB2 ARG 87 12.352 11.375 9.303 699 HB3 ARG 87 HB1 ARG 87 13.492 11.845 8.053 700 HG2 ARG 87 HG2 ARG 87 11.600 13.343 8.076 701 HG3 ARG 87 HG1 ARG 87 11.622 12.421 6.574 702 HD2 ARG 87 HD2 ARG 87 9.361 12.608 7.486 703 HD3 ARG 87 HD1 ARG 87 9.912 10.933 7.444 704 HE ARG 87 HE ARG 87 10.396 12.216 9.964 705 HH11 ARG 87 HH11 ARG 87 7.988 10.559 8.041 706 HH12 ARG 87 HH12 ARG 87 7.119 9.962 9.417 707 HH21 ARG 87 HH21 ARG 87 9.263 11.431 11.775 708 HH22 ARG 87 HH22 ARG 87 7.841 10.459 11.545 709 H ASP 88 HN ASP 88 12.847 7.913 9.029 710 HA ASP 88 HA ASP 88 15.711 8.135 9.312 711 HB2 ASP 88 HB2 ASP 88 14.215 7.295 11.132 712 HB3 ASP 88 HB1 ASP 88 13.868 5.881 10.144 713 H ILE 89 HN ILE 89 13.602 6.882 7.034 714 HA ILE 89 HA ILE 89 15.569 4.908 6.082 715 HB ILE 89 HB ILE 89 12.606 5.042 5.503 716 HG12 ILE 89 HG12 ILE 89 14.175 3.126 7.233 717 HG13 ILE 89 HG11 ILE 89 13.095 4.384 7.821 718 HG21 ILE 89 HG21 ILE 89 12.898 2.866 4.444 719 HG22 ILE 89 HG22 ILE 89 14.633 2.938 4.755 720 HG23 ILE 89 HG23 ILE 89 13.888 4.093 3.650 721 HD11 ILE 89 HD11 ILE 89 12.036 2.212 7.893 722 HD12 ILE 89 HD12 ILE 89 12.308 2.007 6.163 723 HD13 ILE 89 HD13 ILE 89 11.219 3.268 6.742 724 H VAL 90 HN VAL 90 16.464 5.205 4.135 725 HA VAL 90 HA VAL 90 15.609 7.457 2.499 726 HB VAL 90 HB VAL 90 17.849 5.476 2.037 727 HG11 VAL 90 HG11 VAL 90 17.014 6.419 -0.052 728 HG12 VAL 90 HG12 VAL 90 18.619 7.054 0.324 729 HG13 VAL 90 HG13 VAL 90 17.188 8.049 0.605 730 HG21 VAL 90 HG21 VAL 90 19.329 7.332 2.675 731 HG22 VAL 90 HG22 VAL 90 18.256 6.863 3.994 732 HG23 VAL 90 HG23 VAL 90 17.916 8.316 3.054 733 H VAL 91 HN VAL 91 13.938 7.134 1.192 734 HA VAL 91 HA VAL 91 13.597 4.444 0.059 735 HB VAL 91 HB VAL 91 11.893 4.644 1.679 736 HG11 VAL 91 HG11 VAL 91 11.227 7.355 0.566 737 HG12 VAL 91 HG12 VAL 91 12.074 7.042 2.080 738 HG13 VAL 91 HG13 VAL 91 10.397 6.536 1.887 739 HG21 VAL 91 HG21 VAL 91 9.823 4.689 0.369 740 HG22 VAL 91 HG22 VAL 91 11.094 3.765 -0.432 741 HG23 VAL 91 HG23 VAL 91 10.707 5.395 -0.982 742 H ASN 92 HN ASN 92 13.200 4.267 -2.030 743 HA ASN 92 HA ASN 92 12.544 6.630 -3.614 744 HB2 ASN 92 HB2 ASN 92 14.339 5.306 -5.235 745 HB3 ASN 92 HB1 ASN 92 14.660 6.794 -4.358 746 HD21 ASN 92 HD21 ASN 92 14.852 3.296 -4.158 747 HD22 ASN 92 HD22 ASN 92 16.215 3.249 -3.093 748 H ALA 93 HN ALA 93 12.040 5.976 -5.910 749 HA ALA 93 HA ALA 93 9.901 4.154 -5.830 750 HB1 ALA 93 HB1 ALA 93 11.314 5.310 -8.228 751 HB2 ALA 93 HB2 ALA 93 9.981 6.059 -7.350 752 HB3 ALA 93 HB3 ALA 93 9.721 4.553 -8.230 753 H ALA 94 HN ALA 94 13.231 3.703 -6.417 754 HA ALA 94 HA ALA 94 12.912 1.220 -7.883 755 HB1 ALA 94 HB1 ALA 94 15.388 2.514 -6.756 756 HB2 ALA 94 HB2 ALA 94 14.774 2.715 -8.396 757 HB3 ALA 94 HB3 ALA 94 15.350 1.137 -7.857 758 H ASP 95 HN ASP 95 12.896 2.173 -4.665 759 HA ASP 95 HA ASP 95 13.839 -0.443 -3.691 760 HB2 ASP 95 HB2 ASP 95 14.899 1.701 -2.845 761 HB3 ASP 95 HB1 ASP 95 13.358 2.076 -2.089 762 H ILE 96 HN ILE 96 11.174 1.678 -3.981 763 HA ILE 96 HA ILE 96 9.413 0.496 -2.091 764 HB ILE 96 HB ILE 96 9.018 2.263 -4.496 765 HG12 ILE 96 HG12 ILE 96 8.615 2.908 -1.584 766 HG13 ILE 96 HG11 ILE 96 10.172 3.088 -2.390 767 HG21 ILE 96 HG21 ILE 96 6.925 1.439 -2.479 768 HG22 ILE 96 HG22 ILE 96 6.988 0.923 -4.164 769 HG23 ILE 96 HG23 ILE 96 6.713 2.621 -3.773 770 HD11 ILE 96 HD11 ILE 96 7.629 4.454 -3.222 771 HD12 ILE 96 HD12 ILE 96 9.230 4.676 -3.931 772 HD13 ILE 96 HD13 ILE 96 8.922 5.186 -2.271 773 H LYS 97 HN LYS 97 8.599 -1.483 -2.225 774 HA LYS 97 HA LYS 97 8.071 -2.636 -4.886 775 HB2 LYS 97 HB2 LYS 97 8.253 -4.196 -2.319 776 HB3 LYS 97 HB1 LYS 97 8.387 -4.787 -3.967 777 HG2 LYS 97 HG2 LYS 97 10.405 -3.123 -2.480 778 HG3 LYS 97 HG1 LYS 97 10.547 -4.824 -2.921 779 HD2 LYS 97 HD2 LYS 97 10.392 -2.498 -4.842 780 HD3 LYS 97 HD1 LYS 97 11.848 -3.405 -4.429 781 HE2 LYS 97 HE2 LYS 97 10.845 -5.433 -5.365 782 HE3 LYS 97 HE1 LYS 97 9.391 -4.525 -5.777 783 HZ1 LYS 97 HZ1 LYS 97 10.743 -3.127 -7.231 784 HZ2 LYS 97 HZ2 LYS 97 10.814 -4.749 -7.690 785 HZ3 LYS 97 HZ3 LYS 97 12.111 -4.047 -6.863 786 H ILE 98 HN ILE 98 5.983 -2.339 -5.408 787 HA ILE 98 HA ILE 98 3.944 -2.611 -3.295 788 HB ILE 98 HB ILE 98 3.745 -1.106 -5.910 789 HG12 ILE 98 HG12 ILE 98 4.047 -0.100 -3.074 790 HG13 ILE 98 HG11 ILE 98 5.271 -0.023 -4.334 791 HG21 ILE 98 HG21 ILE 98 1.637 -0.260 -5.069 792 HG22 ILE 98 HG22 ILE 98 1.831 -1.187 -3.582 793 HG23 ILE 98 HG23 ILE 98 1.604 -2.021 -5.119 794 HD11 ILE 98 HD11 ILE 98 3.804 1.448 -5.637 795 HD12 ILE 98 HD12 ILE 98 4.221 2.125 -4.063 796 HD13 ILE 98 HD13 ILE 98 2.628 1.412 -4.325 797 H PHE 99 HN PHE 99 2.727 -4.385 -3.395 798 HA PHE 99 HA PHE 99 2.227 -5.622 -6.024 799 HB2 PHE 99 HB2 PHE 99 2.785 -7.110 -3.450 800 HB3 PHE 99 HB1 PHE 99 2.411 -7.839 -5.004 801 HD1 PHE 99 HD1 PHE 99 4.954 -6.164 -2.998 802 HD2 PHE 99 HD2 PHE 99 4.081 -7.945 -6.765 803 HE1 PHE 99 HE1 PHE 99 7.353 -6.272 -3.500 804 HE2 PHE 99 HE2 PHE 99 6.486 -8.046 -7.275 805 HZ PHE 99 HZ PHE 99 8.125 -7.208 -5.642 806 H HIS 100 HN HIS 100 0.129 -5.566 -6.435 807 HA HIS 100 HA HIS 100 -1.777 -5.615 -4.198 808 HB2 HIS 100 HB2 HIS 100 -2.111 -3.813 -5.806 809 HB3 HIS 100 HB1 HIS 100 -2.182 -4.968 -7.130 810 HD1 HIS 100 HD1 HIS 100 -4.531 -5.133 -7.921 811 HD2 HIS 100 HD2 HIS 100 -4.315 -4.764 -3.780 812 HE1 HIS 100 HE1 HIS 100 -6.903 -5.253 -7.105 813 HE2 HIS 100 HE2 HIS 100 -6.756 -5.002 -4.605 814 H ILE 101 HN ILE 101 -2.419 -7.597 -3.607 815 HA ILE 101 HA ILE 101 -2.823 -9.649 -5.639 816 HB ILE 101 HB ILE 101 -3.021 -9.732 -2.628 817 HG12 ILE 101 HG12 ILE 101 -1.350 -11.630 -3.031 818 HG13 ILE 101 HG11 ILE 101 -1.220 -11.022 -4.675 819 HG21 ILE 101 HG21 ILE 101 -3.711 -11.937 -4.563 820 HG22 ILE 101 HG22 ILE 101 -4.850 -11.051 -3.551 821 HG23 ILE 101 HG23 ILE 101 -3.629 -12.084 -2.808 822 HD11 ILE 101 HD11 ILE 101 -0.595 -9.481 -2.180 823 HD12 ILE 101 HD12 ILE 101 -0.405 -8.905 -3.836 824 HD13 ILE 101 HD13 ILE 101 0.582 -10.246 -3.246 825 H ARG 102 HN ARG 102 -4.722 -10.099 -6.505 826 HA ARG 102 HA ARG 102 -6.899 -8.291 -5.958 827 HB2 ARG 102 HB2 ARG 102 -6.679 -10.541 -7.965 828 HB3 ARG 102 HB1 ARG 102 -7.963 -9.343 -7.915 829 HG2 ARG 102 HG2 ARG 102 -6.384 -7.580 -8.416 830 HG3 ARG 102 HG1 ARG 102 -5.052 -8.737 -8.381 831 HD2 ARG 102 HD2 ARG 102 -7.382 -8.790 -10.298 832 HD3 ARG 102 HD1 ARG 102 -5.758 -8.218 -10.674 833 HE ARG 102 HE ARG 102 -5.744 -10.894 -9.680 834 HH11 ARG 102 HH11 ARG 102 -6.347 -8.979 -12.549 835 HH12 ARG 102 HH12 ARG 102 -5.946 -10.266 -13.640 836 HH21 ARG 102 HH21 ARG 102 -5.237 -12.593 -11.114 837 HH22 ARG 102 HH22 ARG 102 -5.317 -12.324 -12.825 838 H LYS 103 HN LYS 103 -6.371 -11.785 -5.808 839 HA LYS 103 HA LYS 103 -8.993 -12.509 -5.116 840 HB2 LYS 103 HB2 LYS 103 -7.335 -14.098 -5.961 841 HB3 LYS 103 HB1 LYS 103 -6.389 -13.907 -4.493 842 HG2 LYS 103 HG2 LYS 103 -8.186 -14.876 -3.180 843 HG3 LYS 103 HG1 LYS 103 -9.181 -15.025 -4.630 844 HD2 LYS 103 HD2 LYS 103 -6.534 -16.396 -4.154 845 HD3 LYS 103 HD1 LYS 103 -8.123 -17.154 -4.044 846 HE2 LYS 103 HE2 LYS 103 -8.510 -16.621 -6.421 847 HE3 LYS 103 HE1 LYS 103 -6.887 -15.941 -6.514 848 HZ1 LYS 103 HZ1 LYS 103 -7.557 -18.760 -5.880 849 HZ2 LYS 103 HZ2 LYS 103 -5.997 -18.115 -5.925 850 HZ3 LYS 103 HZ3 LYS 103 -6.919 -18.193 -7.338 851 H GLU 104 HN GLU 104 -6.146 -11.925 -3.081 852 HA GLU 104 HA GLU 104 -7.658 -12.255 -0.653 853 HB2 GLU 104 HB2 GLU 104 -4.865 -11.161 -1.016 854 HB3 GLU 104 HB1 GLU 104 -5.592 -11.675 0.499 855 HG2 GLU 104 HG2 GLU 104 -4.947 -13.428 -1.854 856 HG3 GLU 104 HG1 GLU 104 -4.057 -13.341 -0.336 857 H ARG 105 HN ARG 105 -7.591 -9.897 -2.866 858 HA ARG 105 HA ARG 105 -7.795 -7.640 -2.979 859 HB2 ARG 105 HB2 ARG 105 -9.679 -6.752 -1.701 860 HB3 ARG 105 HB1 ARG 105 -10.049 -8.339 -2.353 861 HG2 ARG 105 HG2 ARG 105 -9.426 -9.252 -0.063 862 HG3 ARG 105 HG1 ARG 105 -9.477 -7.578 0.491 863 HD2 ARG 105 HD2 ARG 105 -11.740 -9.081 -0.815 864 HD3 ARG 105 HD1 ARG 105 -11.589 -8.730 0.904 865 HE ARG 105 HE ARG 105 -11.500 -6.365 -0.683 866 HH11 ARG 105 HH11 ARG 105 -13.643 -8.738 0.720 867 HH12 ARG 105 HH12 ARG 105 -15.010 -7.672 0.762 868 HH21 ARG 105 HH21 ARG 105 -13.284 -4.935 -0.608 869 HH22 ARG 105 HH22 ARG 105 -14.805 -5.500 0.013 870 H THR 106 HN THR 106 -5.440 -8.185 -1.773 871 HA THR 106 HA THR 106 -5.283 -6.187 0.388 872 HB THR 106 HB THR 106 -3.818 -8.835 0.292 873 HG1 THR 106 HG1 THR 106 -6.099 -8.810 0.994 874 HG21 THR 106 HG21 THR 106 -2.962 -8.193 2.516 875 HG22 THR 106 HG22 THR 106 -3.694 -6.602 2.319 876 HG23 THR 106 HG23 THR 106 -2.395 -7.113 1.244 877 H LEU 107 HN LEU 107 -3.520 -4.844 0.365 878 HA LEU 107 HA LEU 107 -1.768 -5.078 -1.990 879 HB2 LEU 107 HB2 LEU 107 -3.233 -3.130 -2.069 880 HB3 LEU 107 HB1 LEU 107 -2.680 -2.623 -0.486 881 HG LEU 107 HG LEU 107 -0.450 -2.177 -1.380 882 HD11 LEU 107 HD11 LEU 107 -0.047 -2.291 -3.794 883 HD12 LEU 107 HD12 LEU 107 -1.627 -3.040 -4.015 884 HD13 LEU 107 HD13 LEU 107 -0.370 -3.882 -3.107 885 HD21 LEU 107 HD21 LEU 107 -2.651 -0.937 -3.020 886 HD22 LEU 107 HD22 LEU 107 -1.023 -0.290 -2.824 887 HD23 LEU 107 HD23 LEU 107 -2.105 -0.391 -1.434 888 H TYR 108 HN TYR 108 0.241 -5.616 -1.545 889 HA TYR 108 HA TYR 108 1.288 -5.203 1.158 890 HB2 TYR 108 HB2 TYR 108 2.283 -6.906 -1.131 891 HB3 TYR 108 HB1 TYR 108 3.077 -6.775 0.433 892 HD1 TYR 108 HD1 TYR 108 -0.172 -7.736 -1.122 893 HD2 TYR 108 HD2 TYR 108 2.503 -8.227 2.147 894 HE1 TYR 108 HE1 TYR 108 -1.563 -9.561 -0.269 895 HE2 TYR 108 HE2 TYR 108 1.113 -10.056 3.014 896 HH TYR 108 HH TYR 108 -1.244 -10.827 2.851 897 H ILE 109 HN ILE 109 2.821 -3.782 1.609 898 HA ILE 109 HA ILE 109 4.351 -2.560 -0.599 899 HB ILE 109 HB ILE 109 3.673 -1.301 2.059 900 HG12 ILE 109 HG12 ILE 109 1.643 -1.569 0.706 901 HG13 ILE 109 HG11 ILE 109 2.092 0.126 0.851 902 HG21 ILE 109 HG21 ILE 109 4.885 -0.097 -0.420 903 HG22 ILE 109 HG22 ILE 109 5.746 -0.489 1.069 904 HG23 ILE 109 HG23 ILE 109 4.503 0.762 1.073 905 HD11 ILE 109 HD11 ILE 109 2.647 -1.624 -1.530 906 HD12 ILE 109 HD12 ILE 109 3.012 0.096 -1.385 907 HD13 ILE 109 HD13 ILE 109 1.336 -0.453 -1.397 908 H TYR 110 HN TYR 110 6.466 -3.049 -0.535 909 HA TYR 110 HA TYR 110 7.715 -3.494 2.102 910 HB2 TYR 110 HB2 TYR 110 8.412 -4.851 -0.514 911 HB3 TYR 110 HB1 TYR 110 9.296 -5.043 0.992 912 HD1 TYR 110 HD2 TYR 110 6.162 -5.815 -0.773 913 HD2 TYR 110 HD1 TYR 110 8.474 -6.479 2.737 914 HE1 TYR 110 HE2 TYR 110 4.703 -7.699 -0.172 915 HE2 TYR 110 HE1 TYR 110 7.022 -8.366 3.343 916 HH TYR 110 HH TYR 110 4.936 -9.298 2.919 917 H ILE 111 HN ILE 111 9.418 -2.219 2.552 918 HA ILE 111 HA ILE 111 10.784 -0.863 0.336 919 HB ILE 111 HB ILE 111 9.854 0.543 2.852 920 HG12 ILE 111 HG12 ILE 111 8.946 0.912 -0.015 921 HG13 ILE 111 HG11 ILE 111 8.025 0.081 1.233 922 HG21 ILE 111 HG21 ILE 111 10.729 2.573 1.770 923 HG22 ILE 111 HG22 ILE 111 11.336 1.588 0.437 924 HG23 ILE 111 HG23 ILE 111 11.997 1.380 2.058 925 HD11 ILE 111 HD11 ILE 111 7.867 2.148 2.501 926 HD12 ILE 111 HD12 ILE 111 7.223 2.348 0.870 927 HD13 ILE 111 HD13 ILE 111 8.818 2.983 1.275 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 16.301 13.502 -8.422 2 H2 GLY 1 HT2 GLY 1 14.691 13.532 -7.914 3 H3 GLY 1 HT3 GLY 1 15.788 12.479 -7.177 4 HA2 GLY 1 HA1 GLY 1 17.045 14.365 -6.321 5 HA3 GLY 1 HA2 GLY 1 15.861 15.440 -7.048 6 HA PRO 2 HA PRO 2 14.646 13.731 -2.723 7 HB2 PRO 2 HB2 PRO 2 15.702 16.116 -1.431 8 HB3 PRO 2 HB1 PRO 2 16.080 14.423 -1.117 9 HG2 PRO 2 HG2 PRO 2 17.850 16.145 -2.235 10 HG3 PRO 2 HG1 PRO 2 17.839 14.407 -2.584 11 HD2 PRO 2 HD2 PRO 2 16.743 16.672 -4.207 12 HD3 PRO 2 HD1 PRO 2 17.639 15.235 -4.739 13 H HIS 3 HN HIS 3 14.045 16.419 -4.613 14 HA HIS 3 HA HIS 3 11.726 17.147 -2.943 15 HB2 HIS 3 HB2 HIS 3 13.439 18.929 -4.684 16 HB3 HIS 3 HB1 HIS 3 11.860 19.411 -4.080 17 HD1 HIS 3 HD1 HIS 3 11.975 20.753 -2.024 18 HD2 HIS 3 HD2 HIS 3 15.206 18.156 -2.335 19 HE1 HIS 3 HE1 HIS 3 13.415 21.220 -0.019 20 HE2 HIS 3 HE2 HIS 3 15.306 19.566 -0.168 21 H MET 4 HN MET 4 11.947 15.090 -4.967 22 HA MET 4 HA MET 4 10.202 16.177 -7.078 23 HB2 MET 4 HB2 MET 4 12.129 13.868 -7.049 24 HB3 MET 4 HB1 MET 4 10.861 13.986 -8.259 25 HG2 MET 4 HG2 MET 4 11.759 16.060 -9.068 26 HG3 MET 4 HG1 MET 4 12.955 16.083 -7.776 27 HE1 MET 4 HE1 MET 4 11.662 14.067 -10.888 28 HE2 MET 4 HE2 MET 4 11.871 12.806 -9.673 29 HE3 MET 4 HE3 MET 4 12.931 12.860 -11.080 30 H SER 5 HN SER 5 8.788 14.346 -8.034 31 HA SER 5 HA SER 5 7.872 12.457 -6.006 32 HB2 SER 5 HB2 SER 5 5.483 12.999 -6.603 33 HB3 SER 5 HB1 SER 5 6.319 14.269 -5.712 34 HG SER 5 HG SER 5 6.617 15.377 -7.661 35 H VAL 6 HN VAL 6 7.445 10.501 -6.834 36 HA VAL 6 HA VAL 6 7.279 10.256 -9.765 37 HB VAL 6 HB VAL 6 8.630 8.173 -9.604 38 HG11 VAL 6 HG11 VAL 6 9.703 10.220 -10.318 39 HG12 VAL 6 HG12 VAL 6 10.813 9.280 -9.319 40 HG13 VAL 6 HG13 VAL 6 9.990 10.686 -8.642 41 HG21 VAL 6 HG21 VAL 6 8.320 7.565 -7.314 42 HG22 VAL 6 HG22 VAL 6 9.025 9.083 -6.759 43 HG23 VAL 6 HG23 VAL 6 10.038 7.882 -7.559 44 H GLN 7 HN GLN 7 6.154 8.405 -10.523 45 HA GLN 7 HA GLN 7 4.124 7.493 -8.636 46 HB2 GLN 7 HB2 GLN 7 2.810 6.854 -10.525 47 HB3 GLN 7 HB1 GLN 7 3.464 8.444 -10.870 48 HG2 GLN 7 HG2 GLN 7 4.569 5.856 -11.935 49 HG3 GLN 7 HG1 GLN 7 3.479 6.926 -12.810 50 HE21 GLN 7 HE21 GLN 7 6.707 6.399 -11.698 51 HE22 GLN 7 HE22 GLN 7 7.445 7.690 -12.588 52 H ILE 8 HN ILE 8 3.894 5.373 -8.033 53 HA ILE 8 HA ILE 8 6.105 3.625 -8.869 54 HB ILE 8 HB ILE 8 4.398 3.093 -6.460 55 HG12 ILE 8 HG12 ILE 8 5.217 5.384 -6.167 56 HG13 ILE 8 HG11 ILE 8 6.043 4.289 -5.067 57 HG21 ILE 8 HG21 ILE 8 6.400 1.919 -5.699 58 HG22 ILE 8 HG22 ILE 8 7.258 2.424 -7.153 59 HG23 ILE 8 HG23 ILE 8 5.878 1.330 -7.277 60 HD11 ILE 8 HD11 ILE 8 7.144 5.381 -7.645 61 HD12 ILE 8 HD12 ILE 8 7.977 4.267 -6.559 62 HD13 ILE 8 HD13 ILE 8 7.580 5.896 -6.016 63 HA PRO 9 HA PRO 9 2.957 1.237 -10.941 64 HB2 PRO 9 HB2 PRO 9 4.585 -0.779 -11.746 65 HB3 PRO 9 HB1 PRO 9 4.538 0.794 -12.549 66 HG2 PRO 9 HG2 PRO 9 6.488 -0.244 -10.531 67 HG3 PRO 9 HG1 PRO 9 6.796 0.682 -12.010 68 HD2 PRO 9 HD2 PRO 9 6.764 1.824 -9.557 69 HD3 PRO 9 HD1 PRO 9 6.250 2.690 -11.019 70 H VAL 10 HN VAL 10 1.619 -0.308 -10.236 71 HA VAL 10 HA VAL 10 2.558 -2.028 -8.043 72 HB VAL 10 HB VAL 10 0.919 -0.571 -7.136 73 HG11 VAL 10 HG11 VAL 10 -1.333 -0.314 -8.084 74 HG12 VAL 10 HG12 VAL 10 -0.841 -1.278 -9.477 75 HG13 VAL 10 HG13 VAL 10 -0.072 0.279 -9.163 76 HG21 VAL 10 HG21 VAL 10 -0.479 -3.164 -7.783 77 HG22 VAL 10 HG22 VAL 10 -0.842 -2.081 -6.439 78 HG23 VAL 10 HG23 VAL 10 0.700 -2.934 -6.493 79 H VAL 11 HN VAL 11 2.332 -4.152 -8.203 80 HA VAL 11 HA VAL 11 1.507 -5.256 -10.763 81 HB VAL 11 HB VAL 11 3.626 -5.868 -9.428 82 HG11 VAL 11 HG11 VAL 11 3.183 -6.463 -7.340 83 HG12 VAL 11 HG12 VAL 11 2.838 -8.043 -8.053 84 HG13 VAL 11 HG13 VAL 11 1.522 -6.920 -7.713 85 HG21 VAL 11 HG21 VAL 11 3.096 -7.114 -11.382 86 HG22 VAL 11 HG22 VAL 11 1.804 -7.977 -10.544 87 HG23 VAL 11 HG23 VAL 11 3.489 -8.263 -10.096 88 H GLU 12 HN GLU 12 -0.162 -6.791 -11.010 89 HA GLU 12 HA GLU 12 -1.802 -7.272 -8.620 90 HB2 GLU 12 HB2 GLU 12 -2.484 -7.459 -11.553 91 HB3 GLU 12 HB1 GLU 12 -3.549 -8.020 -10.269 92 HG2 GLU 12 HG2 GLU 12 -3.686 -5.797 -9.356 93 HG3 GLU 12 HG1 GLU 12 -2.538 -5.203 -10.555 94 H VAL 13 HN VAL 13 -0.753 -8.946 -7.681 95 HA VAL 13 HA VAL 13 -0.401 -11.382 -9.305 96 HB VAL 13 HB VAL 13 1.315 -12.027 -7.556 97 HG11 VAL 13 HG11 VAL 13 3.085 -10.650 -8.561 98 HG12 VAL 13 HG12 VAL 13 1.851 -9.606 -9.264 99 HG13 VAL 13 HG13 VAL 13 1.971 -11.291 -9.768 100 HG21 VAL 13 HG21 VAL 13 0.662 -10.456 -5.815 101 HG22 VAL 13 HG22 VAL 13 1.089 -9.101 -6.861 102 HG23 VAL 13 HG23 VAL 13 2.342 -10.198 -6.283 103 H ASP 14 HN ASP 14 -0.094 -13.311 -7.581 104 HA ASP 14 HA ASP 14 -2.540 -13.335 -5.961 105 HB2 ASP 14 HB2 ASP 14 -2.401 -15.082 -7.680 106 HB3 ASP 14 HB1 ASP 14 -0.850 -15.610 -7.038 107 H GLU 15 HN GLU 15 0.893 -13.656 -5.964 108 HA GLU 15 HA GLU 15 1.018 -13.418 -3.079 109 HB2 GLU 15 HB2 GLU 15 2.282 -15.734 -4.551 110 HB3 GLU 15 HB1 GLU 15 2.685 -15.270 -2.905 111 HG2 GLU 15 HG2 GLU 15 0.377 -15.676 -2.243 112 HG3 GLU 15 HG1 GLU 15 0.007 -16.179 -3.896 113 H LEU 16 HN LEU 16 3.299 -13.082 -2.381 114 HA LEU 16 HA LEU 16 4.648 -11.364 -4.259 115 HB2 LEU 16 HB2 LEU 16 5.463 -12.133 -1.458 116 HB3 LEU 16 HB1 LEU 16 6.140 -10.834 -2.413 117 HG LEU 16 HG LEU 16 4.783 -9.664 -1.012 118 HD11 LEU 16 HD11 LEU 16 2.901 -10.376 -3.240 119 HD12 LEU 16 HD12 LEU 16 4.116 -9.098 -3.260 120 HD13 LEU 16 HD13 LEU 16 2.740 -8.992 -2.161 121 HD21 LEU 16 HD21 LEU 16 2.767 -11.884 -1.124 122 HD22 LEU 16 HD22 LEU 16 2.621 -10.402 -0.178 123 HD23 LEU 16 HD23 LEU 16 3.903 -11.557 0.185 124 HA PRO 17 HA PRO 17 7.768 -14.137 -5.799 125 HB2 PRO 17 HB2 PRO 17 9.641 -11.967 -5.008 126 HB3 PRO 17 HB1 PRO 17 9.475 -12.805 -6.550 127 HG2 PRO 17 HG2 PRO 17 8.542 -10.330 -6.238 128 HG3 PRO 17 HG1 PRO 17 7.652 -11.528 -7.198 129 HD2 PRO 17 HD2 PRO 17 7.085 -10.507 -4.453 130 HD3 PRO 17 HD1 PRO 17 5.972 -11.002 -5.730 131 H GLU 18 HN GLU 18 9.772 -15.177 -5.193 132 HA GLU 18 HA GLU 18 9.823 -16.078 -2.539 133 HB2 GLU 18 HB2 GLU 18 11.975 -16.266 -4.653 134 HB3 GLU 18 HB1 GLU 18 11.937 -17.190 -3.158 135 HG2 GLU 18 HG2 GLU 18 11.116 -18.662 -4.750 136 HG3 GLU 18 HG1 GLU 18 9.675 -18.039 -3.950 137 H GLY 19 HN GLY 19 10.825 -15.403 -0.790 138 HA2 GLY 19 HA2 GLY 19 12.692 -14.349 0.328 139 HA3 GLY 19 HA1 GLY 19 12.840 -13.265 -1.049 140 H TYR 20 HN TYR 20 9.693 -13.375 -0.801 141 HA TYR 20 HA TYR 20 9.568 -10.998 0.882 142 HB2 TYR 20 HB2 TYR 20 7.723 -12.210 -1.148 143 HB3 TYR 20 HB1 TYR 20 7.144 -10.994 -0.018 144 HD1 TYR 20 HD1 TYR 20 7.926 -8.693 -0.162 145 HD2 TYR 20 HD2 TYR 20 9.219 -11.634 -2.948 146 HE1 TYR 20 HE1 TYR 20 8.712 -6.913 -1.662 147 HE2 TYR 20 HE2 TYR 20 10.010 -9.869 -4.451 148 HH TYR 20 HH TYR 20 10.441 -6.690 -3.483 149 H ASP 21 HN ASP 21 7.746 -10.707 2.288 150 HA ASP 21 HA ASP 21 6.998 -13.149 3.724 151 HB2 ASP 21 HB2 ASP 21 8.086 -11.482 5.114 152 HB3 ASP 21 HB1 ASP 21 6.995 -10.226 4.537 153 H ARG 22 HN ARG 22 4.764 -13.489 4.265 154 HA ARG 22 HA ARG 22 2.863 -11.507 3.316 155 HB2 ARG 22 HB2 ARG 22 3.000 -13.074 1.435 156 HB3 ARG 22 HB1 ARG 22 2.656 -14.419 2.518 157 HG2 ARG 22 HG2 ARG 22 0.453 -13.827 2.784 158 HG3 ARG 22 HG1 ARG 22 0.746 -12.139 2.379 159 HD2 ARG 22 HD2 ARG 22 -0.452 -13.070 0.576 160 HD3 ARG 22 HD1 ARG 22 1.211 -12.888 0.032 161 HE ARG 22 HE ARG 22 1.458 -15.205 0.021 162 HH11 ARG 22 HH11 ARG 22 -1.697 -14.281 1.231 163 HH12 ARG 22 HH12 ARG 22 -2.405 -15.835 0.945 164 HH21 ARG 22 HH21 ARG 22 0.510 -17.255 -0.390 165 HH22 ARG 22 HH22 ARG 22 -1.156 -17.524 0.034 166 H SER 23 HN SER 23 1.040 -11.385 4.526 167 HA SER 23 HA SER 23 -0.152 -11.424 6.428 168 HB2 SER 23 HB2 SER 23 0.386 -14.399 6.356 169 HB3 SER 23 HB1 SER 23 -0.952 -13.577 7.152 170 HG SER 23 HG SER 23 -1.559 -12.817 5.015 171 H2 PRO 24 HT1 PRO 24 -26.994 14.680 0.684 172 H3 PRO 24 HT2 PRO 24 -27.139 16.300 0.549 173 HA PRO 24 HA PRO 24 -26.685 16.691 2.590 174 HB2 PRO 24 HB2 PRO 24 -27.600 14.503 4.136 175 HB3 PRO 24 HB1 PRO 24 -28.316 16.118 4.034 176 HG2 PRO 24 HG2 PRO 24 -29.031 13.638 2.572 177 HG3 PRO 24 HG1 PRO 24 -30.063 14.990 3.067 178 HD2 PRO 24 HD2 PRO 24 -29.367 14.678 0.511 179 HD3 PRO 24 HD1 PRO 24 -29.446 16.295 1.234 180 H HIS 25 HN HIS 25 -24.774 16.258 3.619 181 HA HIS 25 HA HIS 25 -23.295 13.978 2.659 182 HB2 HIS 25 HB2 HIS 25 -21.362 14.925 3.760 183 HB3 HIS 25 HB1 HIS 25 -22.194 16.190 2.871 184 HD1 HIS 25 HD1 HIS 25 -20.980 15.276 6.213 185 HD2 HIS 25 HD2 HIS 25 -23.587 18.071 4.570 186 HE1 HIS 25 HE1 HIS 25 -21.314 17.018 7.991 187 HE2 HIS 25 HE2 HIS 25 -22.780 18.765 6.927 188 H GLU 26 HN GLU 26 -23.213 12.102 3.583 189 HA GLU 26 HA GLU 26 -23.485 11.877 6.488 190 HB2 GLU 26 HB2 GLU 26 -25.035 9.990 6.244 191 HB3 GLU 26 HB1 GLU 26 -25.718 11.460 5.567 192 HG2 GLU 26 HG2 GLU 26 -25.103 10.695 3.319 193 HG3 GLU 26 HG1 GLU 26 -24.459 9.208 4.013 194 H GLN 27 HN GLN 27 -23.358 9.102 6.655 195 HA GLN 27 HA GLN 27 -20.629 8.646 5.799 196 HB2 GLN 27 HB2 GLN 27 -22.525 6.947 7.427 197 HB3 GLN 27 HB1 GLN 27 -20.865 6.497 7.048 198 HG2 GLN 27 HG2 GLN 27 -20.098 8.542 8.194 199 HG3 GLN 27 HG1 GLN 27 -21.764 8.871 8.660 200 HE21 GLN 27 HE21 GLN 27 -19.414 8.387 10.314 201 HE22 GLN 27 HE22 GLN 27 -19.805 7.037 11.320 202 H GLN 28 HN GLN 28 -19.953 7.106 4.367 203 HA GLN 28 HA GLN 28 -21.995 6.228 2.480 204 HB2 GLN 28 HB2 GLN 28 -19.000 6.379 2.331 205 HB3 GLN 28 HB1 GLN 28 -19.916 5.410 1.186 206 HG2 GLN 28 HG2 GLN 28 -19.448 7.520 0.191 207 HG3 GLN 28 HG1 GLN 28 -21.172 7.444 0.543 208 HE21 GLN 28 HE21 GLN 28 -22.037 8.799 2.085 209 HE22 GLN 28 HE22 GLN 28 -21.160 10.126 2.767 210 H GLU 29 HN GLU 29 -22.106 4.079 1.735 211 HA GLU 29 HA GLU 29 -21.224 2.114 3.747 212 HB2 GLU 29 HB2 GLU 29 -23.149 0.743 2.991 213 HB3 GLU 29 HB1 GLU 29 -23.637 2.292 3.663 214 HG2 GLU 29 HG2 GLU 29 -23.917 3.182 1.405 215 HG3 GLU 29 HG1 GLU 29 -23.435 1.624 0.737 216 H ASP 30 HN ASP 30 -21.005 3.126 0.523 217 HA ASP 30 HA ASP 30 -19.911 0.571 -0.386 218 HB2 ASP 30 HB2 ASP 30 -19.988 1.579 -2.628 219 HB3 ASP 30 HB1 ASP 30 -21.562 1.623 -1.844 220 H VAL 31 HN VAL 31 -18.855 3.254 1.133 221 HA VAL 31 HA VAL 31 -16.459 3.806 -0.255 222 HB VAL 31 HB VAL 31 -17.393 5.442 1.303 223 HG11 VAL 31 HG11 VAL 31 -18.326 3.968 2.982 224 HG12 VAL 31 HG12 VAL 31 -17.214 5.112 3.734 225 HG13 VAL 31 HG13 VAL 31 -16.710 3.445 3.454 226 HG21 VAL 31 HG21 VAL 31 -15.334 6.049 2.467 227 HG22 VAL 31 HG22 VAL 31 -15.006 5.506 0.822 228 HG23 VAL 31 HG23 VAL 31 -14.694 4.431 2.181 229 HA PRO 32 HA PRO 32 -14.301 0.095 0.882 230 HB2 PRO 32 HB2 PRO 32 -11.831 1.007 0.084 231 HB3 PRO 32 HB1 PRO 32 -13.031 0.310 -1.009 232 HG2 PRO 32 HG2 PRO 32 -12.386 3.179 -0.480 233 HG3 PRO 32 HG1 PRO 32 -12.780 2.381 -2.015 234 HD2 PRO 32 HD2 PRO 32 -14.590 3.859 -0.655 235 HD3 PRO 32 HD1 PRO 32 -15.056 2.435 -1.598 236 H GLU 33 HN GLU 33 -13.609 -0.424 2.847 237 HA GLU 33 HA GLU 33 -12.299 1.627 4.467 238 HB2 GLU 33 HB2 GLU 33 -14.351 0.756 5.468 239 HB3 GLU 33 HB1 GLU 33 -13.747 -0.890 5.322 240 HG2 GLU 33 HG2 GLU 33 -12.072 -0.513 6.948 241 HG3 GLU 33 HG1 GLU 33 -12.364 1.224 6.951 242 H TYR 34 HN TYR 34 -10.221 1.453 4.026 243 HA TYR 34 HA TYR 34 -8.952 -1.137 3.789 244 HB2 TYR 34 HB2 TYR 34 -7.860 1.671 3.659 245 HB3 TYR 34 HB1 TYR 34 -6.874 0.227 3.469 246 HD1 TYR 34 HD1 TYR 34 -7.418 -1.345 1.553 247 HD2 TYR 34 HD2 TYR 34 -9.020 2.584 1.832 248 HE1 TYR 34 HE1 TYR 34 -7.925 -1.394 -0.847 249 HE2 TYR 34 HE2 TYR 34 -9.533 2.551 -0.571 250 HH TYR 34 HH TYR 34 -9.385 -0.305 -2.448 251 H GLU 35 HN GLU 35 -7.459 -1.986 5.172 252 HA GLU 35 HA GLU 35 -7.189 -0.658 7.783 253 HB2 GLU 35 HB2 GLU 35 -8.549 -2.820 7.687 254 HB3 GLU 35 HB1 GLU 35 -7.035 -3.634 7.318 255 HG2 GLU 35 HG2 GLU 35 -6.099 -2.863 9.429 256 HG3 GLU 35 HG1 GLU 35 -7.604 -2.024 9.796 257 H VAL 36 HN VAL 36 -5.232 0.176 7.870 258 HA VAL 36 HA VAL 36 -3.072 -1.032 6.333 259 HB VAL 36 HB VAL 36 -3.342 1.265 5.822 260 HG11 VAL 36 HG11 VAL 36 -4.678 1.963 7.709 261 HG12 VAL 36 HG12 VAL 36 -3.296 3.044 7.526 262 HG13 VAL 36 HG13 VAL 36 -3.290 1.811 8.786 263 HG21 VAL 36 HG21 VAL 36 -1.221 2.279 6.580 264 HG22 VAL 36 HG22 VAL 36 -1.026 0.625 6.005 265 HG23 VAL 36 HG23 VAL 36 -1.032 0.961 7.736 266 H LYS 37 HN LYS 37 -1.261 -1.826 7.196 267 HA LYS 37 HA LYS 37 -0.850 -1.619 10.105 268 HB2 LYS 37 HB2 LYS 37 -0.316 -4.085 8.425 269 HB3 LYS 37 HB1 LYS 37 -0.046 -3.926 10.150 270 HG2 LYS 37 HG2 LYS 37 -2.000 -5.160 10.004 271 HG3 LYS 37 HG1 LYS 37 -2.571 -3.520 10.313 272 HD2 LYS 37 HD2 LYS 37 -3.062 -3.215 7.960 273 HD3 LYS 37 HD1 LYS 37 -2.402 -4.805 7.589 274 HE2 LYS 37 HE2 LYS 37 -4.783 -4.269 9.350 275 HE3 LYS 37 HE1 LYS 37 -4.859 -4.798 7.672 276 HZ1 LYS 37 HZ1 LYS 37 -3.551 -6.333 9.848 277 HZ2 LYS 37 HZ2 LYS 37 -3.818 -6.847 8.259 278 HZ3 LYS 37 HZ3 LYS 37 -5.126 -6.607 9.300 279 H MET 38 HN MET 38 1.337 -1.497 10.725 280 HA MET 38 HA MET 38 3.241 -1.205 8.496 281 HB2 MET 38 HB2 MET 38 2.345 0.931 9.815 282 HB3 MET 38 HB1 MET 38 3.610 0.444 10.938 283 HG2 MET 38 HG2 MET 38 5.288 0.683 9.319 284 HG3 MET 38 HG1 MET 38 4.119 0.793 8.011 285 HE1 MET 38 HE1 MET 38 4.607 4.353 7.368 286 HE2 MET 38 HE2 MET 38 3.913 2.812 6.846 287 HE3 MET 38 HE3 MET 38 5.637 2.928 7.212 288 H LYS 39 HN LYS 39 5.333 -1.947 8.870 289 HA LYS 39 HA LYS 39 5.923 -3.134 11.479 290 HB2 LYS 39 HB2 LYS 39 4.673 -4.745 9.775 291 HB3 LYS 39 HB1 LYS 39 6.282 -4.901 9.099 292 HG2 LYS 39 HG2 LYS 39 5.750 -5.372 12.010 293 HG3 LYS 39 HG1 LYS 39 5.528 -6.638 10.804 294 HD2 LYS 39 HD2 LYS 39 7.875 -6.357 10.114 295 HD3 LYS 39 HD1 LYS 39 8.082 -5.138 11.373 296 HE2 LYS 39 HE2 LYS 39 7.275 -8.002 11.858 297 HE3 LYS 39 HE1 LYS 39 8.914 -7.379 12.023 298 HZ1 LYS 39 HZ1 LYS 39 7.771 -7.498 14.149 299 HZ2 LYS 39 HZ2 LYS 39 6.563 -6.459 13.585 300 HZ3 LYS 39 HZ3 LYS 39 8.149 -5.899 13.757 301 H ARG 40 HN ARG 40 8.090 -3.196 11.905 302 HA ARG 40 HA ARG 40 9.793 -1.937 9.886 303 HB2 ARG 40 HB2 ARG 40 10.066 -2.193 12.878 304 HB3 ARG 40 HB1 ARG 40 11.379 -1.633 11.855 305 HG2 ARG 40 HG2 ARG 40 10.295 0.274 12.773 306 HG3 ARG 40 HG1 ARG 40 9.885 0.195 11.060 307 HD2 ARG 40 HD2 ARG 40 7.749 -0.878 11.659 308 HD3 ARG 40 HD1 ARG 40 8.154 -0.688 13.363 309 HE ARG 40 HE ARG 40 8.273 1.798 11.981 310 HH11 ARG 40 HH11 ARG 40 6.047 -0.499 13.417 311 HH12 ARG 40 HH12 ARG 40 4.800 0.677 13.675 312 HH21 ARG 40 HH21 ARG 40 6.622 3.353 12.328 313 HH22 ARG 40 HH22 ARG 40 5.124 2.860 13.050 314 H PHE 41 HN PHE 41 11.599 -2.834 9.132 315 HA PHE 41 HA PHE 41 12.343 -5.506 10.128 316 HB2 PHE 41 HB2 PHE 41 12.024 -4.584 7.279 317 HB3 PHE 41 HB1 PHE 41 13.063 -5.939 7.691 318 HD1 PHE 41 HD2 PHE 41 9.561 -4.727 7.908 319 HD2 PHE 41 HD1 PHE 41 12.192 -8.068 7.962 320 HE1 PHE 41 HE2 PHE 41 7.629 -6.248 7.818 321 HE2 PHE 41 HE1 PHE 41 10.265 -9.595 7.870 322 HZ PHE 41 HZ PHE 41 7.979 -8.685 7.796 323 H LYS 42 HN LYS 42 14.566 -6.063 9.838 324 HA LYS 42 HA LYS 42 16.383 -4.103 8.779 325 HB2 LYS 42 HB2 LYS 42 15.897 -3.482 11.235 326 HB3 LYS 42 HB1 LYS 42 16.823 -4.917 11.642 327 HG2 LYS 42 HG2 LYS 42 18.237 -2.975 11.755 328 HG3 LYS 42 HG1 LYS 42 18.747 -4.004 10.420 329 HD2 LYS 42 HD2 LYS 42 18.825 -1.843 9.531 330 HD3 LYS 42 HD1 LYS 42 17.298 -2.486 8.941 331 HE2 LYS 42 HE2 LYS 42 17.625 -0.681 11.335 332 HE3 LYS 42 HE1 LYS 42 17.119 -0.157 9.734 333 HZ1 LYS 42 HZ1 LYS 42 15.182 -0.393 11.018 334 HZ2 LYS 42 HZ2 LYS 42 15.648 -1.893 11.626 335 HZ3 LYS 42 HZ3 LYS 42 15.202 -1.745 10.000 336 H GLY 43 HN GLY 43 17.546 -5.349 7.510 337 HA2 GLY 43 HA2 GLY 43 19.373 -6.976 7.419 338 HA3 GLY 43 HA1 GLY 43 18.458 -7.958 8.557 339 H ALA 44 HN ALA 44 16.243 -6.628 6.589 340 HA ALA 44 HA ALA 44 16.178 -9.009 4.864 341 HB1 ALA 44 HB1 ALA 44 14.270 -8.807 6.365 342 HB2 ALA 44 HB2 ALA 44 13.763 -8.595 4.690 343 HB3 ALA 44 HB3 ALA 44 13.934 -7.193 5.744 344 H ALA 45 HN ALA 45 14.989 -8.558 2.727 345 HA ALA 45 HA ALA 45 16.397 -6.619 1.246 346 HB1 ALA 45 HB1 ALA 45 13.833 -8.027 0.517 347 HB2 ALA 45 HB2 ALA 45 15.458 -8.663 0.265 348 HB3 ALA 45 HB3 ALA 45 14.933 -7.218 -0.600 349 H TYR 46 HN TYR 46 13.641 -6.392 3.211 350 HA TYR 46 HA TYR 46 13.132 -3.674 2.255 351 HB2 TYR 46 HB2 TYR 46 10.725 -4.287 3.288 352 HB3 TYR 46 HB1 TYR 46 11.118 -4.538 1.589 353 HD1 TYR 46 HD1 TYR 46 10.872 -6.252 4.876 354 HD2 TYR 46 HD2 TYR 46 11.129 -6.687 0.653 355 HE1 TYR 46 HE1 TYR 46 10.382 -8.654 5.097 356 HE2 TYR 46 HE2 TYR 46 10.640 -9.085 0.862 357 HH TYR 46 HH TYR 46 10.880 -10.856 2.608 358 H LYS 47 HN LYS 47 12.779 -2.163 3.852 359 HA LYS 47 HA LYS 47 13.680 -3.039 6.514 360 HB2 LYS 47 HB2 LYS 47 13.776 -0.329 5.172 361 HB3 LYS 47 HB1 LYS 47 14.208 -0.600 6.848 362 HG2 LYS 47 HG2 LYS 47 16.223 -0.502 5.587 363 HG3 LYS 47 HG1 LYS 47 15.979 -2.180 6.070 364 HD2 LYS 47 HD2 LYS 47 16.710 -2.129 3.782 365 HD3 LYS 47 HD1 LYS 47 15.023 -2.634 3.824 366 HE2 LYS 47 HE2 LYS 47 14.418 -0.229 3.350 367 HE3 LYS 47 HE1 LYS 47 16.131 0.059 3.049 368 HZ1 LYS 47 HZ1 LYS 47 15.051 -0.379 0.980 369 HZ2 LYS 47 HZ2 LYS 47 14.335 -1.791 1.572 370 HZ3 LYS 47 HZ3 LYS 47 16.015 -1.725 1.347 371 H LEU 48 HN LEU 48 11.046 -1.828 4.769 372 HA LEU 48 HA LEU 48 9.515 -1.596 7.248 373 HB2 LEU 48 HB2 LEU 48 10.362 0.644 5.972 374 HB3 LEU 48 HB1 LEU 48 8.844 0.369 5.145 375 HG LEU 48 HG LEU 48 8.616 1.949 7.020 376 HD11 LEU 48 HD11 LEU 48 6.711 0.546 6.352 377 HD12 LEU 48 HD12 LEU 48 6.687 0.963 8.062 378 HD13 LEU 48 HD13 LEU 48 7.193 -0.649 7.556 379 HD21 LEU 48 HD21 LEU 48 8.865 1.253 9.295 380 HD22 LEU 48 HD22 LEU 48 10.379 0.932 8.443 381 HD23 LEU 48 HD23 LEU 48 9.264 -0.389 8.796 382 H ARG 49 HN ARG 49 7.609 -2.587 7.135 383 HA ARG 49 HA ARG 49 6.573 -3.369 4.488 384 HB2 ARG 49 HB2 ARG 49 7.285 -5.278 5.923 385 HB3 ARG 49 HB1 ARG 49 6.134 -4.754 7.143 386 HG2 ARG 49 HG2 ARG 49 4.336 -5.029 5.405 387 HG3 ARG 49 HG1 ARG 49 5.549 -5.813 4.395 388 HD2 ARG 49 HD2 ARG 49 4.550 -7.616 5.436 389 HD3 ARG 49 HD1 ARG 49 5.936 -7.314 6.483 390 HE ARG 49 HE ARG 49 4.056 -5.865 7.691 391 HH11 ARG 49 HH11 ARG 49 4.013 -9.158 6.489 392 HH12 ARG 49 HH12 ARG 49 2.778 -9.683 7.596 393 HH21 ARG 49 HH21 ARG 49 2.442 -6.564 9.170 394 HH22 ARG 49 HH22 ARG 49 1.897 -8.211 9.123 395 H ILE 50 HN ILE 50 4.628 -2.577 3.950 396 HA ILE 50 HA ILE 50 2.849 -1.692 6.135 397 HB ILE 50 HB ILE 50 2.979 -0.319 3.436 398 HG12 ILE 50 HG12 ILE 50 3.892 1.644 4.775 399 HG13 ILE 50 HG11 ILE 50 4.220 0.501 6.068 400 HG21 ILE 50 HG21 ILE 50 1.545 1.329 4.441 401 HG22 ILE 50 HG22 ILE 50 1.648 0.516 6.001 402 HG23 ILE 50 HG23 ILE 50 0.827 -0.270 4.650 403 HD11 ILE 50 HD11 ILE 50 5.848 -0.611 4.805 404 HD12 ILE 50 HD12 ILE 50 6.149 1.116 4.584 405 HD13 ILE 50 HD13 ILE 50 5.353 0.190 3.311 406 H LEU 51 HN LEU 51 0.899 -2.586 6.084 407 HA LEU 51 HA LEU 51 0.164 -4.121 3.678 408 HB2 LEU 51 HB2 LEU 51 0.359 -4.873 6.466 409 HB3 LEU 51 HB1 LEU 51 -1.264 -5.139 5.863 410 HG LEU 51 HG LEU 51 0.119 -7.152 5.685 411 HD11 LEU 51 HD11 LEU 51 -1.692 -6.786 4.090 412 HD12 LEU 51 HD12 LEU 51 -0.354 -7.671 3.357 413 HD13 LEU 51 HD13 LEU 51 -0.574 -5.955 3.008 414 HD21 LEU 51 HD21 LEU 51 1.802 -5.530 3.782 415 HD22 LEU 51 HD22 LEU 51 1.976 -7.253 4.116 416 HD23 LEU 51 HD23 LEU 51 2.291 -6.072 5.387 417 H ILE 52 HN ILE 52 -1.554 -3.335 2.659 418 HA ILE 52 HA ILE 52 -3.616 -1.985 4.277 419 HB ILE 52 HB ILE 52 -2.918 -1.273 1.422 420 HG12 ILE 52 HG12 ILE 52 -2.282 0.965 2.702 421 HG13 ILE 52 HG11 ILE 52 -1.976 -0.155 4.029 422 HG21 ILE 52 HG21 ILE 52 -4.744 0.042 3.424 423 HG22 ILE 52 HG22 ILE 52 -5.241 -0.876 2.004 424 HG23 ILE 52 HG23 ILE 52 -4.383 0.652 1.810 425 HD11 ILE 52 HD11 ILE 52 -0.710 -0.288 1.302 426 HD12 ILE 52 HD12 ILE 52 -0.381 -1.365 2.661 427 HD13 ILE 52 HD13 ILE 52 0.045 0.343 2.766 428 H GLU 53 HN GLU 53 -5.193 -3.471 4.407 429 HA GLU 53 HA GLU 53 -5.964 -4.868 1.932 430 HB2 GLU 53 HB2 GLU 53 -6.941 -6.576 3.304 431 HB3 GLU 53 HB1 GLU 53 -5.316 -6.273 3.897 432 HG2 GLU 53 HG2 GLU 53 -6.319 -4.786 5.628 433 HG3 GLU 53 HG1 GLU 53 -7.902 -5.339 5.107 434 H ASN 54 HN ASN 54 -8.219 -5.023 1.436 435 HA ASN 54 HA ASN 54 -9.694 -2.693 2.437 436 HB2 ASN 54 HB2 ASN 54 -9.198 -2.953 -0.060 437 HB3 ASN 54 HB1 ASN 54 -10.368 -4.268 -0.032 438 HD21 ASN 54 HD21 ASN 54 -10.797 -1.518 2.035 439 HD22 ASN 54 HD22 ASN 54 -12.129 -0.843 1.175 440 H LYS 55 HN LYS 55 -11.192 -3.080 3.873 441 HA LYS 55 HA LYS 55 -12.875 -5.456 3.590 442 HB2 LYS 55 HB2 LYS 55 -12.754 -5.560 6.183 443 HB3 LYS 55 HB1 LYS 55 -11.440 -6.252 5.240 444 HG2 LYS 55 HG2 LYS 55 -10.119 -4.220 5.584 445 HG3 LYS 55 HG1 LYS 55 -11.437 -3.528 6.532 446 HD2 LYS 55 HD2 LYS 55 -10.041 -6.102 7.230 447 HD3 LYS 55 HD1 LYS 55 -9.576 -4.530 7.877 448 HE2 LYS 55 HE2 LYS 55 -11.863 -4.275 8.783 449 HE3 LYS 55 HE1 LYS 55 -12.238 -5.901 8.212 450 HZ1 LYS 55 HZ1 LYS 55 -11.623 -5.872 10.556 451 HZ2 LYS 55 HZ2 LYS 55 -10.110 -5.216 10.168 452 HZ3 LYS 55 HZ3 LYS 55 -10.518 -6.775 9.645 453 H ALA 56 HN ALA 56 -14.559 -4.170 2.873 454 HA ALA 56 HA ALA 56 -15.882 -2.644 5.011 455 HB1 ALA 56 HB1 ALA 56 -16.714 -1.071 3.195 456 HB2 ALA 56 HB2 ALA 56 -15.462 -1.762 2.164 457 HB3 ALA 56 HB3 ALA 56 -15.017 -0.919 3.649 458 HA PRO 57 HA PRO 57 -19.574 -4.903 4.078 459 HB2 PRO 57 HB2 PRO 57 -21.445 -2.921 3.588 460 HB3 PRO 57 HB1 PRO 57 -20.986 -3.501 5.190 461 HG2 PRO 57 HG2 PRO 57 -20.033 -1.089 3.702 462 HG3 PRO 57 HG1 PRO 57 -20.427 -1.263 5.423 463 HD2 PRO 57 HD2 PRO 57 -17.893 -1.238 4.607 464 HD3 PRO 57 HD1 PRO 57 -18.417 -2.328 5.897 465 H ASN 58 HN ASN 58 -19.194 -2.104 1.953 466 HA ASN 58 HA ASN 58 -19.779 -3.823 -0.355 467 HB2 ASN 58 HB2 ASN 58 -21.008 -1.094 0.114 468 HB3 ASN 58 HB1 ASN 58 -21.189 -2.056 -1.349 469 HD21 ASN 58 HD21 ASN 58 -22.003 -1.776 2.019 470 HD22 ASN 58 HD22 ASN 58 -23.334 -2.884 1.997 471 H SER 59 HN SER 59 -17.312 -3.507 -0.048 472 HA SER 59 HA SER 59 -16.095 -1.042 -0.610 473 HB2 SER 59 HB2 SER 59 -14.977 -3.781 -1.227 474 HB3 SER 59 HB1 SER 59 -14.067 -2.305 -0.915 475 HG SER 59 HG SER 59 -14.926 -4.117 0.830 476 H LYS 60 HN LYS 60 -16.136 0.101 -2.401 477 HA LYS 60 HA LYS 60 -16.021 -1.344 -4.961 478 HB2 LYS 60 HB2 LYS 60 -17.598 1.102 -4.222 479 HB3 LYS 60 HB1 LYS 60 -17.168 0.771 -5.896 480 HG2 LYS 60 HG2 LYS 60 -18.276 -1.509 -5.522 481 HG3 LYS 60 HG1 LYS 60 -18.969 -0.782 -4.071 482 HD2 LYS 60 HD2 LYS 60 -19.262 0.296 -6.876 483 HD3 LYS 60 HD1 LYS 60 -20.483 -0.638 -6.013 484 HE2 LYS 60 HE2 LYS 60 -20.728 1.088 -4.370 485 HE3 LYS 60 HE1 LYS 60 -19.364 1.984 -5.038 486 HZ1 LYS 60 HZ1 LYS 60 -21.493 2.916 -5.716 487 HZ2 LYS 60 HZ2 LYS 60 -21.922 1.455 -6.449 488 HZ3 LYS 60 HZ3 LYS 60 -20.621 2.352 -7.051 489 HA PRO 61 HA PRO 61 -12.376 1.490 -4.845 490 HB2 PRO 61 HB2 PRO 61 -10.503 -0.394 -5.316 491 HB3 PRO 61 HB1 PRO 61 -11.040 0.023 -3.688 492 HG2 PRO 61 HG2 PRO 61 -11.802 -2.299 -5.401 493 HG3 PRO 61 HG1 PRO 61 -11.502 -2.250 -3.656 494 HD2 PRO 61 HD2 PRO 61 -13.999 -2.258 -4.793 495 HD3 PRO 61 HD1 PRO 61 -13.639 -1.586 -3.194 496 H ASP 62 HN ASP 62 -11.638 2.334 -6.669 497 HA ASP 62 HA ASP 62 -12.621 1.266 -9.183 498 HB2 ASP 62 HB2 ASP 62 -10.936 3.741 -8.792 499 HB3 ASP 62 HB1 ASP 62 -11.969 3.349 -10.159 500 H ARG 63 HN ARG 63 -9.505 2.601 -8.178 501 HA ARG 63 HA ARG 63 -8.059 0.316 -9.119 502 HB2 ARG 63 HB2 ARG 63 -6.768 1.645 -10.811 503 HB3 ARG 63 HB1 ARG 63 -8.439 1.314 -11.257 504 HG2 ARG 63 HG2 ARG 63 -8.623 3.715 -9.945 505 HG3 ARG 63 HG1 ARG 63 -7.091 3.850 -10.812 506 HD2 ARG 63 HD2 ARG 63 -8.783 4.655 -12.258 507 HD3 ARG 63 HD1 ARG 63 -8.289 3.080 -12.858 508 HE ARG 63 HE ARG 63 -10.783 3.603 -11.379 509 HH11 ARG 63 HH11 ARG 63 -8.946 1.774 -13.735 510 HH12 ARG 63 HH12 ARG 63 -10.301 0.822 -14.242 511 HH21 ARG 63 HH21 ARG 63 -12.588 2.360 -12.073 512 HH22 ARG 63 HH22 ARG 63 -12.370 1.160 -13.307 513 H PHE 64 HN PHE 64 -5.675 0.743 -8.940 514 HA PHE 64 HA PHE 64 -5.191 2.506 -6.639 515 HB2 PHE 64 HB2 PHE 64 -3.958 -0.134 -7.412 516 HB3 PHE 64 HB1 PHE 64 -3.213 0.938 -6.232 517 HD1 PHE 64 HD1 PHE 64 -4.307 1.385 -4.105 518 HD2 PHE 64 HD2 PHE 64 -5.896 -1.420 -6.876 519 HE1 PHE 64 HE1 PHE 64 -5.697 0.418 -2.321 520 HE2 PHE 64 HE2 PHE 64 -7.291 -2.393 -5.100 521 HZ PHE 64 HZ PHE 64 -7.195 -1.473 -2.819 522 H SER 65 HN SER 65 -3.826 4.123 -6.905 523 HA SER 65 HA SER 65 -1.733 3.883 -8.936 524 HB2 SER 65 HB2 SER 65 -2.116 6.317 -9.493 525 HB3 SER 65 HB1 SER 65 -3.413 5.238 -10.006 526 HG SER 65 HG SER 65 -3.368 6.897 -7.700 527 HA PRO 66 HA PRO 66 -0.045 5.290 -4.904 528 HB2 PRO 66 HB2 PRO 66 1.942 3.477 -4.728 529 HB3 PRO 66 HB1 PRO 66 0.290 3.127 -4.211 530 HG2 PRO 66 HG2 PRO 66 1.711 2.305 -6.693 531 HG3 PRO 66 HG1 PRO 66 0.525 1.422 -5.726 532 HD2 PRO 66 HD2 PRO 66 -0.015 2.758 -8.092 533 HD3 PRO 66 HD1 PRO 66 -1.225 2.305 -6.872 534 H SER 67 HN SER 67 1.710 6.557 -4.555 535 HA SER 67 HA SER 67 3.844 6.724 -6.501 536 HB2 SER 67 HB2 SER 67 2.072 9.141 -6.087 537 HB3 SER 67 HB1 SER 67 3.450 8.999 -7.175 538 HG SER 67 HG SER 67 1.751 7.035 -7.744 539 H TYR 68 HN TYR 68 5.620 7.943 -5.768 540 HA TYR 68 HA TYR 68 5.534 8.477 -2.873 541 HB2 TYR 68 HB2 TYR 68 6.938 6.572 -3.321 542 HB3 TYR 68 HB1 TYR 68 7.776 7.429 -4.605 543 HD1 TYR 68 HD2 TYR 68 7.064 7.822 -0.950 544 HD2 TYR 68 HD1 TYR 68 9.855 8.282 -4.130 545 HE1 TYR 68 HE2 TYR 68 8.755 8.593 0.657 546 HE2 TYR 68 HE1 TYR 68 11.552 9.058 -2.527 547 HH TYR 68 HH TYR 68 11.226 8.720 0.824 548 H ASN 69 HN ASN 69 5.928 10.473 -2.243 549 HA ASN 69 HA ASN 69 7.312 12.279 -4.105 550 HB2 ASN 69 HB2 ASN 69 6.407 14.106 -2.573 551 HB3 ASN 69 HB1 ASN 69 5.232 13.255 -3.565 552 HD21 ASN 69 HD21 ASN 69 6.360 13.868 -0.362 553 HD22 ASN 69 HD22 ASN 69 5.039 13.133 0.466 554 H PHE 70 HN PHE 70 9.350 12.657 -3.743 555 HA PHE 70 HA PHE 70 10.730 11.641 -1.482 556 HB2 PHE 70 HB2 PHE 70 11.613 13.574 -3.635 557 HB3 PHE 70 HB1 PHE 70 12.690 12.872 -2.438 558 HD1 PHE 70 HD1 PHE 70 10.440 12.038 -5.259 559 HD2 PHE 70 HD2 PHE 70 13.657 10.773 -2.779 560 HE1 PHE 70 HE1 PHE 70 10.834 10.127 -6.749 561 HE2 PHE 70 HE2 PHE 70 14.054 8.854 -4.267 562 HZ PHE 70 HZ PHE 70 12.640 8.530 -6.257 563 H ALA 71 HN ALA 71 9.434 14.746 -2.338 564 HA ALA 71 HA ALA 71 10.865 16.454 -0.702 565 HB1 ALA 71 HB1 ALA 71 8.936 17.947 -0.848 566 HB2 ALA 71 HB2 ALA 71 7.949 16.611 -1.442 567 HB3 ALA 71 HB3 ALA 71 9.298 17.205 -2.407 568 H GLU 72 HN GLU 72 7.806 14.807 0.055 569 HA GLU 72 HA GLU 72 8.220 15.497 2.879 570 HB2 GLU 72 HB2 GLU 72 5.661 14.353 1.847 571 HB3 GLU 72 HB1 GLU 72 5.925 15.453 3.192 572 HG2 GLU 72 HG2 GLU 72 6.488 17.225 1.546 573 HG3 GLU 72 HG1 GLU 72 6.033 16.099 0.265 574 H ASN 73 HN ASN 73 9.021 13.136 0.947 575 HA ASN 73 HA ASN 73 9.386 10.907 1.012 576 HB2 ASN 73 HB2 ASN 73 10.206 9.998 3.173 577 HB3 ASN 73 HB1 ASN 73 10.966 11.519 2.730 578 HD21 ASN 73 HD21 ASN 73 8.619 10.004 4.828 579 HD22 ASN 73 HD22 ASN 73 8.591 11.255 6.020 580 H ILE 74 HN ILE 74 6.731 11.417 0.800 581 HA ILE 74 HA ILE 74 5.520 9.377 2.546 582 HB ILE 74 HB ILE 74 4.311 11.855 1.336 583 HG12 ILE 74 HG12 ILE 74 4.276 10.941 4.201 584 HG13 ILE 74 HG11 ILE 74 5.655 11.807 3.537 585 HG21 ILE 74 HG21 ILE 74 2.700 10.067 1.030 586 HG22 ILE 74 HG22 ILE 74 2.168 11.146 2.323 587 HG23 ILE 74 HG23 ILE 74 2.885 9.583 2.716 588 HD11 ILE 74 HD11 ILE 74 4.200 13.681 2.992 589 HD12 ILE 74 HD12 ILE 74 4.185 13.299 4.713 590 HD13 ILE 74 HD13 ILE 74 2.829 12.815 3.690 591 H LEU 75 HN LEU 75 4.428 7.728 1.687 592 HA LEU 75 HA LEU 75 4.344 7.514 -1.246 593 HB2 LEU 75 HB2 LEU 75 5.743 5.848 -0.049 594 HB3 LEU 75 HB1 LEU 75 4.348 5.352 0.881 595 HG LEU 75 HG LEU 75 5.057 3.824 -1.004 596 HD11 LEU 75 HD11 LEU 75 2.756 3.365 -1.748 597 HD12 LEU 75 HD12 LEU 75 2.237 4.881 -1.004 598 HD13 LEU 75 HD13 LEU 75 2.886 3.582 -0.003 599 HD21 LEU 75 HD21 LEU 75 3.918 6.054 -2.676 600 HD22 LEU 75 HD22 LEU 75 4.272 4.427 -3.258 601 HD23 LEU 75 HD23 LEU 75 5.577 5.461 -2.683 602 H TYR 76 HN TYR 76 2.366 8.096 -1.927 603 HA TYR 76 HA TYR 76 0.093 7.538 -0.187 604 HB2 TYR 76 HB2 TYR 76 -0.808 9.429 -0.987 605 HB3 TYR 76 HB1 TYR 76 0.758 9.744 -1.713 606 HD1 TYR 76 HD1 TYR 76 -2.672 8.646 -2.313 607 HD2 TYR 76 HD2 TYR 76 1.094 9.493 -4.079 608 HE1 TYR 76 HE1 TYR 76 -3.737 8.712 -4.532 609 HE2 TYR 76 HE2 TYR 76 0.048 9.557 -6.304 610 HH TYR 76 HH TYR 76 -3.326 9.689 -6.733 611 H ILE 77 HN ILE 77 -1.526 6.174 -0.713 612 HA ILE 77 HA ILE 77 -0.858 4.215 -2.759 613 HB ILE 77 HB ILE 77 -2.897 4.201 -0.535 614 HG12 ILE 77 HG12 ILE 77 -0.542 3.931 0.159 615 HG13 ILE 77 HG11 ILE 77 -1.488 2.477 0.454 616 HG21 ILE 77 HG21 ILE 77 -2.285 1.999 -2.497 617 HG22 ILE 77 HG22 ILE 77 -3.747 2.984 -2.478 618 HG23 ILE 77 HG23 ILE 77 -3.395 1.900 -1.130 619 HD11 ILE 77 HD11 ILE 77 0.413 2.923 -1.834 620 HD12 ILE 77 HD12 ILE 77 -0.549 1.469 -1.567 621 HD13 ILE 77 HD13 ILE 77 0.703 1.926 -0.410 622 H ASN 78 HN ASN 78 -3.571 6.269 -1.796 623 HA ASN 78 HA ASN 78 -4.631 6.296 -4.478 624 HB2 ASN 78 HB2 ASN 78 -5.344 4.113 -3.118 625 HB3 ASN 78 HB1 ASN 78 -6.506 5.223 -2.403 626 HD21 ASN 78 HD21 ASN 78 -6.897 2.898 -4.100 627 HD22 ASN 78 HD22 ASN 78 -7.770 3.448 -5.485 628 H GLY 79 HN GLY 79 -6.847 7.522 -4.374 629 HA2 GLY 79 HA2 GLY 79 -6.517 9.880 -2.765 630 HA3 GLY 79 HA1 GLY 79 -7.875 9.523 -3.824 631 H LYS 80 HN LYS 80 -7.261 6.978 -1.782 632 HA LYS 80 HA LYS 80 -9.494 7.690 -0.033 633 HB2 LYS 80 HB2 LYS 80 -8.145 4.999 -0.208 634 HB3 LYS 80 HB1 LYS 80 -9.766 5.368 0.360 635 HG2 LYS 80 HG2 LYS 80 -8.842 5.641 -2.489 636 HG3 LYS 80 HG1 LYS 80 -9.722 4.256 -1.842 637 HD2 LYS 80 HD2 LYS 80 -11.609 5.715 -1.285 638 HD3 LYS 80 HD1 LYS 80 -10.726 7.105 -1.917 639 HE2 LYS 80 HE2 LYS 80 -10.689 6.074 -4.135 640 HE3 LYS 80 HE1 LYS 80 -11.556 4.676 -3.504 641 HZ1 LYS 80 HZ1 LYS 80 -13.012 6.258 -4.652 642 HZ2 LYS 80 HZ2 LYS 80 -12.610 7.451 -3.527 643 HZ3 LYS 80 HZ3 LYS 80 -13.443 6.067 -3.029 644 H LEU 81 HN LEU 81 -6.115 6.693 -0.030 645 HA LEU 81 HA LEU 81 -5.652 7.942 2.479 646 HB2 LEU 81 HB2 LEU 81 -4.698 5.805 3.525 647 HB3 LEU 81 HB1 LEU 81 -6.423 6.087 3.594 648 HG LEU 81 HG LEU 81 -6.741 4.502 1.723 649 HD11 LEU 81 HD11 LEU 81 -3.803 3.929 2.051 650 HD12 LEU 81 HD12 LEU 81 -4.538 4.750 0.674 651 HD13 LEU 81 HD13 LEU 81 -4.934 3.063 1.011 652 HD21 LEU 81 HD21 LEU 81 -5.238 3.482 4.121 653 HD22 LEU 81 HD22 LEU 81 -6.179 2.479 3.019 654 HD23 LEU 81 HD23 LEU 81 -6.980 3.723 3.980 655 H SER 82 HN SER 82 -3.477 8.077 3.074 656 HA SER 82 HA SER 82 -1.543 7.203 1.046 657 HB2 SER 82 HB2 SER 82 -1.962 9.568 0.676 658 HB3 SER 82 HB1 SER 82 -1.705 9.908 2.379 659 HG SER 82 HG SER 82 0.213 10.361 1.533 660 H ILE 83 HN ILE 83 0.569 6.772 1.851 661 HA ILE 83 HA ILE 83 0.552 6.187 4.739 662 HB ILE 83 HB ILE 83 2.040 4.740 2.542 663 HG12 ILE 83 HG12 ILE 83 -0.362 4.299 2.439 664 HG13 ILE 83 HG11 ILE 83 0.497 2.875 3.013 665 HG21 ILE 83 HG21 ILE 83 2.623 3.120 4.269 666 HG22 ILE 83 HG22 ILE 83 1.807 4.106 5.480 667 HG23 ILE 83 HG23 ILE 83 3.244 4.722 4.662 668 HD11 ILE 83 HD11 ILE 83 -1.524 3.166 4.274 669 HD12 ILE 83 HD12 ILE 83 -1.075 4.821 4.683 670 HD13 ILE 83 HD13 ILE 83 -0.138 3.470 5.321 671 HA PRO 84 HA PRO 84 4.021 9.082 4.564 672 HB2 PRO 84 HB2 PRO 84 4.030 9.649 7.206 673 HB3 PRO 84 HB1 PRO 84 2.901 10.401 6.079 674 HG2 PRO 84 HG2 PRO 84 2.459 8.156 7.992 675 HG3 PRO 84 HG1 PRO 84 1.378 9.491 7.561 676 HD2 PRO 84 HD2 PRO 84 1.170 6.943 6.554 677 HD3 PRO 84 HD1 PRO 84 0.566 8.393 5.728 678 H LEU 85 HN LEU 85 6.129 8.613 4.775 679 HA LEU 85 HA LEU 85 6.775 6.074 6.104 680 HB2 LEU 85 HB2 LEU 85 8.319 7.612 4.011 681 HB3 LEU 85 HB1 LEU 85 8.723 6.020 4.627 682 HG LEU 85 HG LEU 85 6.231 6.690 3.056 683 HD11 LEU 85 HD11 LEU 85 8.725 5.218 2.226 684 HD12 LEU 85 HD12 LEU 85 8.258 6.836 1.701 685 HD13 LEU 85 HD13 LEU 85 7.276 5.442 1.248 686 HD21 LEU 85 HD21 LEU 85 5.951 4.251 2.943 687 HD22 LEU 85 HD22 LEU 85 5.868 4.851 4.598 688 HD23 LEU 85 HD23 LEU 85 7.331 4.052 4.022 689 HA PRO 86 HA PRO 86 9.329 8.108 9.098 690 HB2 PRO 86 HB2 PRO 86 11.331 6.287 9.418 691 HB3 PRO 86 HB1 PRO 86 9.715 6.080 10.099 692 HG2 PRO 86 HG2 PRO 86 10.896 4.903 7.623 693 HG3 PRO 86 HG1 PRO 86 9.851 4.142 8.836 694 HD2 PRO 86 HD2 PRO 86 8.932 5.019 6.443 695 HD3 PRO 86 HD1 PRO 86 7.935 5.020 7.912 696 H ARG 87 HN ARG 87 11.037 9.477 9.174 697 HA ARG 87 HA ARG 87 12.335 10.047 6.660 698 HB2 ARG 87 HB2 ARG 87 12.331 11.410 9.348 699 HB3 ARG 87 HB1 ARG 87 13.393 11.933 8.051 700 HG2 ARG 87 HG2 ARG 87 11.452 13.330 8.076 701 HG3 ARG 87 HG1 ARG 87 11.401 12.320 6.632 702 HD2 ARG 87 HD2 ARG 87 9.205 12.467 7.676 703 HD3 ARG 87 HD1 ARG 87 9.825 10.818 7.735 704 HE ARG 87 HE ARG 87 10.317 12.434 10.092 705 HH11 ARG 87 HH11 ARG 87 8.213 10.116 8.514 706 HH12 ARG 87 HH12 ARG 87 7.511 9.552 9.998 707 HH21 ARG 87 HH21 ARG 87 9.384 11.711 12.043 708 HH22 ARG 87 HH22 ARG 87 8.192 10.449 12.011 709 H ASP 88 HN ASP 88 12.972 7.968 9.106 710 HA ASP 88 HA ASP 88 15.849 8.335 9.223 711 HB2 ASP 88 HB2 ASP 88 14.594 7.635 11.230 712 HB3 ASP 88 HB1 ASP 88 14.084 6.172 10.397 713 H ILE 89 HN ILE 89 13.679 6.912 7.147 714 HA ILE 89 HA ILE 89 15.642 4.917 6.227 715 HB ILE 89 HB ILE 89 12.645 4.939 5.821 716 HG12 ILE 89 HG12 ILE 89 14.413 3.159 7.514 717 HG13 ILE 89 HG11 ILE 89 13.301 4.382 8.117 718 HG21 ILE 89 HG21 ILE 89 14.703 2.895 4.983 719 HG22 ILE 89 HG22 ILE 89 13.795 3.960 3.910 720 HG23 ILE 89 HG23 ILE 89 12.954 2.715 4.835 721 HD11 ILE 89 HD11 ILE 89 12.331 2.204 8.364 722 HD12 ILE 89 HD12 ILE 89 12.577 1.861 6.652 723 HD13 ILE 89 HD13 ILE 89 11.434 3.109 7.147 724 H VAL 90 HN VAL 90 16.403 5.076 4.200 725 HA VAL 90 HA VAL 90 15.610 7.386 2.617 726 HB VAL 90 HB VAL 90 17.788 5.345 2.115 727 HG11 VAL 90 HG11 VAL 90 17.198 7.955 0.720 728 HG12 VAL 90 HG12 VAL 90 17.001 6.340 0.037 729 HG13 VAL 90 HG13 VAL 90 18.612 6.939 0.438 730 HG21 VAL 90 HG21 VAL 90 19.318 7.143 2.788 731 HG22 VAL 90 HG22 VAL 90 18.224 6.692 4.095 732 HG23 VAL 90 HG23 VAL 90 17.934 8.168 3.172 733 H VAL 91 HN VAL 91 13.972 7.182 1.255 734 HA VAL 91 HA VAL 91 13.420 4.509 0.152 735 HB VAL 91 HB VAL 91 11.429 6.680 0.836 736 HG11 VAL 91 HG11 VAL 91 10.711 5.375 -1.072 737 HG12 VAL 91 HG12 VAL 91 9.732 4.985 0.342 738 HG13 VAL 91 HG13 VAL 91 11.003 3.881 -0.183 739 HG21 VAL 91 HG21 VAL 91 10.675 5.143 2.598 740 HG22 VAL 91 HG22 VAL 91 12.345 5.653 2.838 741 HG23 VAL 91 HG23 VAL 91 11.998 4.050 2.194 742 H ASN 92 HN ASN 92 13.226 4.295 -1.946 743 HA ASN 92 HA ASN 92 12.709 6.604 -3.651 744 HB2 ASN 92 HB2 ASN 92 14.538 5.221 -5.158 745 HB3 ASN 92 HB1 ASN 92 14.874 6.700 -4.273 746 HD21 ASN 92 HD21 ASN 92 14.908 3.193 -4.006 747 HD22 ASN 92 HD22 ASN 92 16.259 3.111 -2.929 748 H ALA 93 HN ALA 93 12.138 5.915 -5.876 749 HA ALA 93 HA ALA 93 10.055 4.027 -5.761 750 HB1 ALA 93 HB1 ALA 93 9.818 4.431 -8.157 751 HB2 ALA 93 HB2 ALA 93 11.389 5.234 -8.181 752 HB3 ALA 93 HB3 ALA 93 10.050 5.939 -7.273 753 H ALA 94 HN ALA 94 13.379 3.680 -6.402 754 HA ALA 94 HA ALA 94 13.155 1.232 -7.921 755 HB1 ALA 94 HB1 ALA 94 15.604 1.211 -7.814 756 HB2 ALA 94 HB2 ALA 94 15.559 2.582 -6.705 757 HB3 ALA 94 HB3 ALA 94 14.984 2.768 -8.363 758 H ASP 95 HN ASP 95 13.030 2.061 -4.669 759 HA ASP 95 HA ASP 95 13.957 -0.603 -3.807 760 HB2 ASP 95 HB2 ASP 95 15.089 1.480 -2.882 761 HB3 ASP 95 HB1 ASP 95 13.574 1.835 -2.064 762 H ILE 96 HN ILE 96 11.344 1.615 -3.957 763 HA ILE 96 HA ILE 96 9.566 0.394 -2.114 764 HB ILE 96 HB ILE 96 9.123 2.175 -4.508 765 HG12 ILE 96 HG12 ILE 96 8.867 2.840 -1.581 766 HG13 ILE 96 HG11 ILE 96 10.372 3.031 -2.477 767 HG21 ILE 96 HG21 ILE 96 7.114 1.391 -2.393 768 HG22 ILE 96 HG22 ILE 96 7.108 0.842 -4.069 769 HG23 ILE 96 HG23 ILE 96 6.854 2.550 -3.701 770 HD11 ILE 96 HD11 ILE 96 9.099 5.115 -2.292 771 HD12 ILE 96 HD12 ILE 96 7.771 4.363 -3.176 772 HD13 ILE 96 HD13 ILE 96 9.332 4.605 -3.962 773 H LYS 97 HN LYS 97 8.703 -1.555 -2.288 774 HA LYS 97 HA LYS 97 8.162 -2.654 -4.970 775 HB2 LYS 97 HB2 LYS 97 8.360 -4.283 -2.448 776 HB3 LYS 97 HB1 LYS 97 8.500 -4.823 -4.110 777 HG2 LYS 97 HG2 LYS 97 10.504 -3.187 -2.579 778 HG3 LYS 97 HG1 LYS 97 10.653 -4.878 -3.046 779 HD2 LYS 97 HD2 LYS 97 10.498 -2.531 -4.938 780 HD3 LYS 97 HD1 LYS 97 11.962 -3.415 -4.511 781 HE2 LYS 97 HE2 LYS 97 10.955 -5.465 -5.461 782 HE3 LYS 97 HE1 LYS 97 9.554 -4.517 -5.956 783 HZ1 LYS 97 HZ1 LYS 97 11.088 -4.791 -7.783 784 HZ2 LYS 97 HZ2 LYS 97 12.346 -4.113 -6.880 785 HZ3 LYS 97 HZ3 LYS 97 11.023 -3.160 -7.334 786 H ILE 98 HN ILE 98 6.063 -2.297 -5.444 787 HA ILE 98 HA ILE 98 4.074 -2.610 -3.295 788 HB ILE 98 HB ILE 98 3.835 -1.075 -5.886 789 HG12 ILE 98 HG12 ILE 98 4.130 -0.140 -3.026 790 HG13 ILE 98 HG11 ILE 98 5.341 -0.001 -4.293 791 HG21 ILE 98 HG21 ILE 98 1.912 -1.210 -3.568 792 HG22 ILE 98 HG22 ILE 98 1.705 -2.046 -5.104 793 HG23 ILE 98 HG23 ILE 98 1.709 -0.285 -5.058 794 HD11 ILE 98 HD11 ILE 98 4.251 2.114 -3.953 795 HD12 ILE 98 HD12 ILE 98 2.672 1.375 -4.216 796 HD13 ILE 98 HD13 ILE 98 3.831 1.471 -5.540 797 H PHE 99 HN PHE 99 2.810 -4.323 -3.367 798 HA PHE 99 HA PHE 99 2.242 -5.578 -5.966 799 HB2 PHE 99 HB2 PHE 99 2.814 -7.040 -3.378 800 HB3 PHE 99 HB1 PHE 99 2.372 -7.787 -4.905 801 HD1 PHE 99 HD1 PHE 99 5.020 -6.073 -3.052 802 HD2 PHE 99 HD2 PHE 99 3.985 -8.069 -6.668 803 HE1 PHE 99 HE1 PHE 99 7.397 -6.262 -3.627 804 HE2 PHE 99 HE2 PHE 99 6.368 -8.250 -7.250 805 HZ PHE 99 HZ PHE 99 8.078 -7.344 -5.730 806 H HIS 100 HN HIS 100 0.122 -5.520 -6.336 807 HA HIS 100 HA HIS 100 -1.674 -5.555 -4.005 808 HB2 HIS 100 HB2 HIS 100 -2.039 -3.623 -5.436 809 HB3 HIS 100 HB1 HIS 100 -2.209 -4.663 -6.847 810 HD1 HIS 100 HD1 HIS 100 -4.575 -4.897 -7.505 811 HD2 HIS 100 HD2 HIS 100 -4.155 -4.522 -3.386 812 HE1 HIS 100 HE1 HIS 100 -6.896 -5.088 -6.571 813 HE2 HIS 100 HE2 HIS 100 -6.636 -4.666 -4.100 814 H ILE 101 HN ILE 101 -2.230 -7.550 -3.515 815 HA ILE 101 HA ILE 101 -2.693 -9.522 -5.591 816 HB ILE 101 HB ILE 101 -3.054 -9.750 -2.597 817 HG12 ILE 101 HG12 ILE 101 -0.805 -10.713 -4.379 818 HG13 ILE 101 HG11 ILE 101 -0.711 -9.347 -3.273 819 HG21 ILE 101 HG21 ILE 101 -2.948 -11.912 -4.697 820 HG22 ILE 101 HG22 ILE 101 -4.416 -11.330 -3.924 821 HG23 ILE 101 HG23 ILE 101 -3.178 -12.140 -2.965 822 HD11 ILE 101 HD11 ILE 101 -1.110 -12.233 -2.545 823 HD12 ILE 101 HD12 ILE 101 -1.152 -10.891 -1.404 824 HD13 ILE 101 HD13 ILE 101 0.336 -11.258 -2.278 825 H ARG 102 HN ARG 102 -4.499 -8.997 -6.704 826 HA ARG 102 HA ARG 102 -6.849 -7.978 -5.418 827 HB2 ARG 102 HB2 ARG 102 -7.907 -8.189 -7.637 828 HB3 ARG 102 HB1 ARG 102 -6.394 -7.298 -7.680 829 HG2 ARG 102 HG2 ARG 102 -5.250 -9.259 -8.544 830 HG3 ARG 102 HG1 ARG 102 -6.760 -10.174 -8.480 831 HD2 ARG 102 HD2 ARG 102 -6.344 -7.656 -10.074 832 HD3 ARG 102 HD1 ARG 102 -6.219 -9.284 -10.738 833 HE ARG 102 HE ARG 102 -8.655 -9.435 -9.823 834 HH11 ARG 102 HH11 ARG 102 -7.165 -6.615 -11.283 835 HH12 ARG 102 HH12 ARG 102 -8.655 -6.035 -11.967 836 HH21 ARG 102 HH21 ARG 102 -10.610 -8.665 -10.725 837 HH22 ARG 102 HH22 ARG 102 -10.607 -7.194 -11.649 838 H LYS 103 HN LYS 103 -5.535 -11.032 -5.800 839 HA LYS 103 HA LYS 103 -7.890 -12.611 -5.885 840 HB2 LYS 103 HB2 LYS 103 -5.123 -13.214 -4.822 841 HB3 LYS 103 HB1 LYS 103 -6.386 -14.412 -5.035 842 HG2 LYS 103 HG2 LYS 103 -5.272 -12.741 -7.273 843 HG3 LYS 103 HG1 LYS 103 -4.683 -14.350 -6.852 844 HD2 LYS 103 HD2 LYS 103 -7.521 -13.693 -7.640 845 HD3 LYS 103 HD1 LYS 103 -6.303 -14.377 -8.718 846 HE2 LYS 103 HE2 LYS 103 -7.315 -15.657 -6.179 847 HE3 LYS 103 HE1 LYS 103 -7.816 -16.092 -7.811 848 HZ1 LYS 103 HZ1 LYS 103 -6.134 -17.604 -6.997 849 HZ2 LYS 103 HZ2 LYS 103 -5.059 -16.326 -6.711 850 HZ3 LYS 103 HZ3 LYS 103 -5.522 -16.712 -8.296 851 H GLU 104 HN GLU 104 -5.881 -11.352 -3.269 852 HA GLU 104 HA GLU 104 -7.776 -12.360 -1.280 853 HB2 GLU 104 HB2 GLU 104 -5.059 -11.079 -0.913 854 HB3 GLU 104 HB1 GLU 104 -6.049 -11.765 0.366 855 HG2 GLU 104 HG2 GLU 104 -4.883 -13.295 -1.947 856 HG3 GLU 104 HG1 GLU 104 -4.229 -13.249 -0.311 857 H ARG 105 HN ARG 105 -7.255 -9.683 -3.106 858 HA ARG 105 HA ARG 105 -7.808 -7.496 -3.066 859 HB2 ARG 105 HB2 ARG 105 -9.660 -8.535 -0.938 860 HB3 ARG 105 HB1 ARG 105 -9.601 -6.824 -1.333 861 HG2 ARG 105 HG2 ARG 105 -11.376 -7.706 -2.587 862 HG3 ARG 105 HG1 ARG 105 -10.045 -7.492 -3.724 863 HD2 ARG 105 HD2 ARG 105 -9.502 -9.883 -3.505 864 HD3 ARG 105 HD1 ARG 105 -10.879 -10.082 -2.421 865 HE ARG 105 HE ARG 105 -11.750 -8.918 -4.830 866 HH11 ARG 105 HH11 ARG 105 -10.527 -11.978 -3.632 867 HH12 ARG 105 HH12 ARG 105 -11.415 -12.922 -4.783 868 HH21 ARG 105 HH21 ARG 105 -12.904 -10.169 -6.354 869 HH22 ARG 105 HH22 ARG 105 -12.762 -11.898 -6.331 870 H THR 106 HN THR 106 -5.476 -8.252 -1.771 871 HA THR 106 HA THR 106 -5.361 -6.350 0.477 872 HB THR 106 HB THR 106 -3.704 -8.865 0.220 873 HG1 THR 106 HG1 THR 106 -6.266 -8.467 1.156 874 HG21 THR 106 HG21 THR 106 -4.140 -6.945 2.511 875 HG22 THR 106 HG22 THR 106 -2.661 -7.128 1.568 876 HG23 THR 106 HG23 THR 106 -3.217 -8.445 2.602 877 H LEU 107 HN LEU 107 -3.592 -4.991 0.556 878 HA LEU 107 HA LEU 107 -1.863 -5.050 -1.842 879 HB2 LEU 107 HB2 LEU 107 -3.585 -3.080 -1.137 880 HB3 LEU 107 HB1 LEU 107 -2.138 -2.534 -0.314 881 HG LEU 107 HG LEU 107 -2.399 -3.051 -3.278 882 HD11 LEU 107 HD11 LEU 107 -3.575 -1.055 -2.567 883 HD12 LEU 107 HD12 LEU 107 -2.120 -0.629 -3.469 884 HD13 LEU 107 HD13 LEU 107 -2.139 -0.494 -1.710 885 HD21 LEU 107 HD21 LEU 107 -0.071 -1.996 -1.687 886 HD22 LEU 107 HD22 LEU 107 -0.173 -2.062 -3.446 887 HD23 LEU 107 HD23 LEU 107 -0.151 -3.555 -2.506 888 H TYR 108 HN TYR 108 0.205 -5.478 -1.466 889 HA TYR 108 HA TYR 108 1.248 -5.148 1.264 890 HB2 TYR 108 HB2 TYR 108 2.250 -6.879 -1.007 891 HB3 TYR 108 HB1 TYR 108 2.972 -6.781 0.595 892 HD1 TYR 108 HD2 TYR 108 -0.273 -7.566 -1.060 893 HD2 TYR 108 HD1 TYR 108 2.342 -8.325 2.206 894 HE1 TYR 108 HE2 TYR 108 -1.765 -9.344 -0.291 895 HE2 TYR 108 HE1 TYR 108 0.852 -10.119 2.987 896 HH TYR 108 HH TYR 108 -1.615 -10.706 2.751 897 H ILE 109 HN ILE 109 2.789 -3.712 1.668 898 HA ILE 109 HA ILE 109 4.303 -2.554 -0.591 899 HB ILE 109 HB ILE 109 3.715 -1.246 2.066 900 HG12 ILE 109 HG12 ILE 109 1.640 -1.504 0.776 901 HG13 ILE 109 HG11 ILE 109 2.119 0.186 0.883 902 HG21 ILE 109 HG21 ILE 109 4.864 -0.099 -0.471 903 HG22 ILE 109 HG22 ILE 109 5.767 -0.479 0.995 904 HG23 ILE 109 HG23 ILE 109 4.542 0.791 1.019 905 HD11 ILE 109 HD11 ILE 109 1.303 -0.371 -1.329 906 HD12 ILE 109 HD12 ILE 109 2.540 -1.619 -1.483 907 HD13 ILE 109 HD13 ILE 109 3.006 0.080 -1.379 908 H TYR 110 HN TYR 110 6.429 -3.011 -0.557 909 HA TYR 110 HA TYR 110 7.718 -3.433 2.054 910 HB2 TYR 110 HB2 TYR 110 8.201 -5.011 -0.479 911 HB3 TYR 110 HB1 TYR 110 9.187 -5.131 0.973 912 HD1 TYR 110 HD2 TYR 110 8.192 -6.022 3.067 913 HD2 TYR 110 HD1 TYR 110 6.106 -6.144 -0.638 914 HE1 TYR 110 HE2 TYR 110 6.632 -7.660 4.006 915 HE2 TYR 110 HE1 TYR 110 4.537 -7.787 0.298 916 HH TYR 110 HH TYR 110 4.633 -9.543 2.275 917 H ILE 111 HN ILE 111 9.358 -2.137 2.404 918 HA ILE 111 HA ILE 111 10.752 -0.948 0.099 919 HB ILE 111 HB ILE 111 10.033 0.543 2.635 920 HG12 ILE 111 HG12 ILE 111 8.884 0.848 -0.151 921 HG13 ILE 111 HG11 ILE 111 8.058 0.073 1.197 922 HG21 ILE 111 HG21 ILE 111 11.320 1.465 0.063 923 HG22 ILE 111 HG22 ILE 111 12.113 1.300 1.629 924 HG23 ILE 111 HG23 ILE 111 10.852 2.513 1.403 925 HD11 ILE 111 HD11 ILE 111 8.067 2.184 2.415 926 HD12 ILE 111 HD12 ILE 111 7.268 2.344 0.851 927 HD13 ILE 111 HD13 ILE 111 8.907 2.957 1.072 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 6.549 19.304 -6.547 2 H2 GLY 1 HT2 GLY 1 6.325 20.873 -7.127 3 H3 GLY 1 HT3 GLY 1 5.295 20.258 -5.938 4 HA2 GLY 1 HA1 GLY 1 6.918 21.811 -5.008 5 HA3 GLY 1 HA2 GLY 1 7.066 20.192 -4.338 6 HA PRO 2 HA PRO 2 11.210 21.945 -6.053 7 HB2 PRO 2 HB2 PRO 2 11.948 21.199 -3.265 8 HB3 PRO 2 HB1 PRO 2 12.468 22.582 -4.235 9 HG2 PRO 2 HG2 PRO 2 10.689 22.893 -2.280 10 HG3 PRO 2 HG1 PRO 2 10.531 23.783 -3.807 11 HD2 PRO 2 HD2 PRO 2 9.016 21.400 -2.833 12 HD3 PRO 2 HD1 PRO 2 8.453 22.784 -3.789 13 H HIS 3 HN HIS 3 11.002 19.396 -3.552 14 HA HIS 3 HA HIS 3 12.772 17.666 -4.988 15 HB2 HIS 3 HB2 HIS 3 11.059 17.336 -2.543 16 HB3 HIS 3 HB1 HIS 3 11.865 15.951 -3.266 17 HD1 HIS 3 HD1 HIS 3 14.179 15.521 -2.490 18 HD2 HIS 3 HD2 HIS 3 13.007 19.448 -1.782 19 HE1 HIS 3 HE1 HIS 3 16.041 16.553 -1.153 20 HE2 HIS 3 HE2 HIS 3 15.364 18.958 -0.837 21 H MET 4 HN MET 4 12.256 15.702 -6.009 22 HA MET 4 HA MET 4 10.025 16.023 -7.747 23 HB2 MET 4 HB2 MET 4 12.050 13.801 -7.481 24 HB3 MET 4 HB1 MET 4 10.827 13.862 -8.739 25 HG2 MET 4 HG2 MET 4 12.808 14.659 -9.709 26 HG3 MET 4 HG1 MET 4 11.805 16.078 -9.424 27 HE1 MET 4 HE1 MET 4 15.455 17.423 -8.917 28 HE2 MET 4 HE2 MET 4 13.936 17.634 -9.787 29 HE3 MET 4 HE3 MET 4 14.920 16.199 -10.070 30 H SER 5 HN SER 5 8.565 14.223 -8.308 31 HA SER 5 HA SER 5 7.924 12.426 -6.088 32 HB2 SER 5 HB2 SER 5 5.489 12.831 -6.531 33 HB3 SER 5 HB1 SER 5 6.326 14.233 -5.867 34 HG SER 5 HG SER 5 5.228 13.829 -8.394 35 H VAL 6 HN VAL 6 7.597 10.372 -6.774 36 HA VAL 6 HA VAL 6 7.469 9.965 -9.693 37 HB VAL 6 HB VAL 6 8.838 7.888 -9.313 38 HG11 VAL 6 HG11 VAL 6 9.821 9.901 -10.252 39 HG12 VAL 6 HG12 VAL 6 10.972 9.096 -9.186 40 HG13 VAL 6 HG13 VAL 6 10.114 10.535 -8.633 41 HG21 VAL 6 HG21 VAL 6 10.238 7.886 -7.246 42 HG22 VAL 6 HG22 VAL 6 8.528 7.563 -6.961 43 HG23 VAL 6 HG23 VAL 6 9.197 9.155 -6.600 44 H GLN 7 HN GLN 7 6.151 8.406 -10.463 45 HA GLN 7 HA GLN 7 4.186 7.358 -8.613 46 HB2 GLN 7 HB2 GLN 7 2.882 6.766 -10.531 47 HB3 GLN 7 HB1 GLN 7 3.522 8.377 -10.804 48 HG2 GLN 7 HG2 GLN 7 4.667 5.849 -11.970 49 HG3 GLN 7 HG1 GLN 7 3.564 6.937 -12.806 50 HE21 GLN 7 HE21 GLN 7 6.792 6.445 -11.660 51 HE22 GLN 7 HE22 GLN 7 7.516 7.781 -12.494 52 H ILE 8 HN ILE 8 3.885 5.227 -8.114 53 HA ILE 8 HA ILE 8 6.061 3.442 -8.977 54 HB ILE 8 HB ILE 8 4.391 2.891 -6.557 55 HG12 ILE 8 HG12 ILE 8 5.179 5.210 -6.266 56 HG13 ILE 8 HG11 ILE 8 5.969 4.114 -5.139 57 HG21 ILE 8 HG21 ILE 8 6.424 1.749 -5.815 58 HG22 ILE 8 HG22 ILE 8 7.261 2.285 -7.270 59 HG23 ILE 8 HG23 ILE 8 5.902 1.166 -7.395 60 HD11 ILE 8 HD11 ILE 8 7.947 4.089 -6.582 61 HD12 ILE 8 HD12 ILE 8 7.542 5.712 -6.027 62 HD13 ILE 8 HD13 ILE 8 7.149 5.221 -7.674 63 HA PRO 9 HA PRO 9 2.710 1.342 -11.082 64 HB2 PRO 9 HB2 PRO 9 4.229 -0.685 -12.082 65 HB3 PRO 9 HB1 PRO 9 4.144 0.921 -12.811 66 HG2 PRO 9 HG2 PRO 9 6.238 -0.245 -11.026 67 HG3 PRO 9 HG1 PRO 9 6.430 0.796 -12.448 68 HD2 PRO 9 HD2 PRO 9 6.609 1.731 -9.909 69 HD3 PRO 9 HD1 PRO 9 6.006 2.719 -11.255 70 H VAL 10 HN VAL 10 1.306 -0.001 -10.190 71 HA VAL 10 HA VAL 10 2.177 -1.833 -8.095 72 HB VAL 10 HB VAL 10 -0.637 -1.258 -9.039 73 HG11 VAL 10 HG11 VAL 10 -1.284 -2.209 -6.861 74 HG12 VAL 10 HG12 VAL 10 0.406 -2.605 -6.546 75 HG13 VAL 10 HG13 VAL 10 -0.447 -3.381 -7.881 76 HG21 VAL 10 HG21 VAL 10 -0.816 0.163 -7.040 77 HG22 VAL 10 HG22 VAL 10 0.365 0.773 -8.200 78 HG23 VAL 10 HG23 VAL 10 0.908 -0.065 -6.748 79 H VAL 11 HN VAL 11 2.367 -3.949 -8.370 80 HA VAL 11 HA VAL 11 1.596 -5.178 -10.887 81 HB VAL 11 HB VAL 11 3.727 -5.647 -9.442 82 HG11 VAL 11 HG11 VAL 11 3.063 -7.882 -8.149 83 HG12 VAL 11 HG12 VAL 11 1.599 -6.933 -7.891 84 HG13 VAL 11 HG13 VAL 11 3.165 -6.297 -7.388 85 HG21 VAL 11 HG21 VAL 11 2.092 -7.807 -10.729 86 HG22 VAL 11 HG22 VAL 11 3.747 -8.038 -10.164 87 HG23 VAL 11 HG23 VAL 11 3.405 -6.866 -11.444 88 H GLU 12 HN GLU 12 -0.101 -6.730 -11.064 89 HA GLU 12 HA GLU 12 -1.484 -7.285 -8.530 90 HB2 GLU 12 HB2 GLU 12 -2.629 -7.214 -11.320 91 HB3 GLU 12 HB1 GLU 12 -3.489 -7.871 -9.932 92 HG2 GLU 12 HG2 GLU 12 -3.119 -5.629 -8.821 93 HG3 GLU 12 HG1 GLU 12 -2.612 -5.044 -10.402 94 H VAL 13 HN VAL 13 -0.403 -8.979 -7.862 95 HA VAL 13 HA VAL 13 -0.133 -11.280 -9.687 96 HB VAL 13 HB VAL 13 1.632 -12.071 -8.049 97 HG11 VAL 13 HG11 VAL 13 3.375 -10.634 -8.995 98 HG12 VAL 13 HG12 VAL 13 2.136 -9.510 -9.553 99 HG13 VAL 13 HG13 VAL 13 2.207 -11.142 -10.215 100 HG21 VAL 13 HG21 VAL 13 2.699 -10.342 -6.663 101 HG22 VAL 13 HG22 VAL 13 1.042 -10.669 -6.157 102 HG23 VAL 13 HG23 VAL 13 1.407 -9.219 -7.092 103 H ASP 14 HN ASP 14 0.225 -13.366 -8.192 104 HA ASP 14 HA ASP 14 -2.323 -13.724 -6.855 105 HB2 ASP 14 HB2 ASP 14 -1.438 -15.390 -8.495 106 HB3 ASP 14 HB1 ASP 14 -0.103 -15.711 -7.400 107 H GLU 15 HN GLU 15 1.090 -13.583 -6.200 108 HA GLU 15 HA GLU 15 0.711 -12.834 -3.507 109 HB2 GLU 15 HB2 GLU 15 1.587 -14.709 -2.341 110 HB3 GLU 15 HB1 GLU 15 0.318 -15.313 -3.396 111 HG2 GLU 15 HG2 GLU 15 1.929 -16.158 -4.953 112 HG3 GLU 15 HG1 GLU 15 3.251 -15.434 -4.035 113 H LEU 16 HN LEU 16 2.971 -12.784 -2.376 114 HA LEU 16 HA LEU 16 4.726 -11.428 -4.193 115 HB2 LEU 16 HB2 LEU 16 5.163 -12.161 -1.299 116 HB3 LEU 16 HB1 LEU 16 6.139 -11.047 -2.233 117 HG LEU 16 HG LEU 16 4.865 -9.568 -1.086 118 HD11 LEU 16 HD11 LEU 16 4.466 -9.119 -3.420 119 HD12 LEU 16 HD12 LEU 16 3.034 -8.726 -2.465 120 HD13 LEU 16 HD13 LEU 16 3.081 -10.212 -3.416 121 HD21 LEU 16 HD21 LEU 16 2.568 -11.498 -1.198 122 HD22 LEU 16 HD22 LEU 16 2.540 -9.918 -0.416 123 HD23 LEU 16 HD23 LEU 16 3.617 -11.179 0.182 124 HA PRO 17 HA PRO 17 7.340 -14.843 -5.216 125 HB2 PRO 17 HB2 PRO 17 9.631 -13.486 -5.785 126 HB3 PRO 17 HB1 PRO 17 8.249 -13.554 -6.878 127 HG2 PRO 17 HG2 PRO 17 9.063 -11.396 -4.989 128 HG3 PRO 17 HG1 PRO 17 8.438 -11.259 -6.640 129 HD2 PRO 17 HD2 PRO 17 6.893 -10.844 -4.454 130 HD3 PRO 17 HD1 PRO 17 6.254 -11.510 -5.963 131 H GLU 18 HN GLU 18 9.580 -15.681 -4.655 132 HA GLU 18 HA GLU 18 9.716 -16.089 -1.907 133 HB2 GLU 18 HB2 GLU 18 11.828 -16.512 -4.021 134 HB3 GLU 18 HB1 GLU 18 11.936 -17.124 -2.374 135 HG2 GLU 18 HG2 GLU 18 9.927 -18.449 -2.723 136 HG3 GLU 18 HG1 GLU 18 9.792 -17.826 -4.365 137 H GLY 19 HN GLY 19 10.725 -15.145 -0.267 138 HA2 GLY 19 HA2 GLY 19 12.630 -13.922 0.615 139 HA3 GLY 19 HA1 GLY 19 12.627 -12.969 -0.863 140 H TYR 20 HN TYR 20 9.503 -13.161 -0.403 141 HA TYR 20 HA TYR 20 9.422 -10.680 1.147 142 HB2 TYR 20 HB2 TYR 20 7.520 -11.949 -0.800 143 HB3 TYR 20 HB1 TYR 20 7.007 -10.641 0.260 144 HD1 TYR 20 HD1 TYR 20 7.925 -8.399 -0.004 145 HD2 TYR 20 HD2 TYR 20 9.002 -11.535 -2.666 146 HE1 TYR 20 HE1 TYR 20 8.810 -6.741 -1.582 147 HE2 TYR 20 HE2 TYR 20 9.895 -9.884 -4.248 148 HH TYR 20 HH TYR 20 9.777 -7.577 -4.792 149 H ASP 21 HN ASP 21 7.646 -10.336 2.651 150 HA ASP 21 HA ASP 21 7.008 -12.805 4.119 151 HB2 ASP 21 HB2 ASP 21 8.579 -11.284 5.295 152 HB3 ASP 21 HB1 ASP 21 7.358 -10.016 5.240 153 H ARG 22 HN ARG 22 5.020 -13.220 3.260 154 HA ARG 22 HA ARG 22 2.974 -11.161 3.256 155 HB2 ARG 22 HB2 ARG 22 3.004 -12.686 1.371 156 HB3 ARG 22 HB1 ARG 22 2.921 -14.076 2.442 157 HG2 ARG 22 HG2 ARG 22 0.683 -13.718 2.945 158 HG3 ARG 22 HG1 ARG 22 0.738 -12.032 2.438 159 HD2 ARG 22 HD2 ARG 22 -0.498 -13.403 0.844 160 HD3 ARG 22 HD1 ARG 22 0.947 -12.712 0.117 161 HE ARG 22 HE ARG 22 1.951 -14.858 0.129 162 HH11 ARG 22 HH11 ARG 22 -1.391 -14.908 1.193 163 HH12 ARG 22 HH12 ARG 22 -1.604 -16.595 0.847 164 HH21 ARG 22 HH21 ARG 22 1.661 -17.070 -0.356 165 HH22 ARG 22 HH22 ARG 22 0.129 -17.823 -0.027 166 H SER 23 HN SER 23 1.069 -11.261 4.488 167 HA SER 23 HA SER 23 -0.097 -11.427 6.403 168 HB2 SER 23 HB2 SER 23 0.845 -14.300 6.370 169 HB3 SER 23 HB1 SER 23 -0.599 -13.658 7.148 170 HG SER 23 HG SER 23 -0.541 -14.649 4.803 171 H2 PRO 24 HT1 PRO 24 -28.210 15.093 -1.495 172 H3 PRO 24 HT2 PRO 24 -28.027 16.649 -1.040 173 HA PRO 24 HA PRO 24 -27.615 16.207 1.012 174 HB2 PRO 24 HB2 PRO 24 -28.841 13.684 1.554 175 HB3 PRO 24 HB1 PRO 24 -29.252 15.268 2.224 176 HG2 PRO 24 HG2 PRO 24 -30.452 13.826 -0.061 177 HG3 PRO 24 HG1 PRO 24 -31.172 15.042 1.009 178 HD2 PRO 24 HD2 PRO 24 -30.535 15.645 -1.517 179 HD3 PRO 24 HD1 PRO 24 -30.291 16.822 -0.213 180 H HIS 25 HN HIS 25 -25.870 15.116 1.837 181 HA HIS 25 HA HIS 25 -25.007 12.654 0.509 182 HB2 HIS 25 HB2 HIS 25 -23.901 14.546 -0.665 183 HB3 HIS 25 HB1 HIS 25 -23.209 15.066 0.866 184 HD1 HIS 25 HD1 HIS 25 -22.756 12.636 -1.894 185 HD2 HIS 25 HD2 HIS 25 -21.132 13.381 1.857 186 HE1 HIS 25 HE1 HIS 25 -20.623 11.308 -1.805 187 HE2 HIS 25 HE2 HIS 25 -19.742 11.651 0.531 188 H GLU 26 HN GLU 26 -25.628 11.681 2.484 189 HA GLU 26 HA GLU 26 -24.184 12.413 4.896 190 HB2 GLU 26 HB2 GLU 26 -26.081 10.115 4.371 191 HB3 GLU 26 HB1 GLU 26 -25.459 10.592 5.944 192 HG2 GLU 26 HG2 GLU 26 -26.595 12.758 5.711 193 HG3 GLU 26 HG1 GLU 26 -27.263 12.221 4.170 194 H GLN 27 HN GLN 27 -23.863 9.740 5.914 195 HA GLN 27 HA GLN 27 -21.353 9.018 4.899 196 HB2 GLN 27 HB2 GLN 27 -21.559 6.967 6.192 197 HB3 GLN 27 HB1 GLN 27 -22.111 8.338 7.138 198 HG2 GLN 27 HG2 GLN 27 -23.968 6.502 5.651 199 HG3 GLN 27 HG1 GLN 27 -23.486 6.247 7.324 200 HE21 GLN 27 HE21 GLN 27 -23.461 9.104 7.941 201 HE22 GLN 27 HE22 GLN 27 -25.119 9.582 8.049 202 H GLN 28 HN GLN 28 -20.694 7.463 3.467 203 HA GLN 28 HA GLN 28 -22.753 6.630 1.559 204 HB2 GLN 28 HB2 GLN 28 -19.777 6.991 1.317 205 HB3 GLN 28 HB1 GLN 28 -20.719 6.156 0.090 206 HG2 GLN 28 HG2 GLN 28 -22.129 8.181 -0.119 207 HG3 GLN 28 HG1 GLN 28 -21.030 9.007 0.985 208 HE21 GLN 28 HE21 GLN 28 -21.455 7.685 -2.186 209 HE22 GLN 28 HE22 GLN 28 -20.050 8.404 -2.896 210 H GLU 29 HN GLU 29 -22.595 4.534 0.580 211 HA GLU 29 HA GLU 29 -21.871 2.518 2.590 212 HB2 GLU 29 HB2 GLU 29 -23.442 1.047 1.376 213 HB3 GLU 29 HB1 GLU 29 -24.210 2.518 1.958 214 HG2 GLU 29 HG2 GLU 29 -24.000 3.487 -0.296 215 HG3 GLU 29 HG1 GLU 29 -23.316 1.963 -0.861 216 H ASP 30 HN ASP 30 -21.030 3.712 -0.491 217 HA ASP 30 HA ASP 30 -19.691 1.245 -1.296 218 HB2 ASP 30 HB2 ASP 30 -19.797 3.918 -2.707 219 HB3 ASP 30 HB1 ASP 30 -19.140 2.424 -3.359 220 H VAL 31 HN VAL 31 -18.834 2.671 1.057 221 HA VAL 31 HA VAL 31 -16.310 3.910 0.314 222 HB VAL 31 HB VAL 31 -17.566 3.485 3.033 223 HG11 VAL 31 HG11 VAL 31 -15.130 3.549 3.188 224 HG12 VAL 31 HG12 VAL 31 -15.846 5.006 3.877 225 HG13 VAL 31 HG13 VAL 31 -15.105 5.059 2.279 226 HG21 VAL 31 HG21 VAL 31 -17.304 5.960 1.329 227 HG22 VAL 31 HG22 VAL 31 -17.949 5.908 2.970 228 HG23 VAL 31 HG23 VAL 31 -18.791 5.075 1.664 229 HA PRO 32 HA PRO 32 -14.360 -0.129 0.910 230 HB2 PRO 32 HB2 PRO 32 -11.921 0.677 -0.009 231 HB3 PRO 32 HB1 PRO 32 -13.229 0.143 -1.075 232 HG2 PRO 32 HG2 PRO 32 -12.329 2.910 -0.407 233 HG3 PRO 32 HG1 PRO 32 -12.891 2.254 -1.954 234 HD2 PRO 32 HD2 PRO 32 -14.449 3.772 -0.314 235 HD3 PRO 32 HD1 PRO 32 -15.102 2.542 -1.413 236 H GLU 33 HN GLU 33 -13.512 -0.726 2.816 237 HA GLU 33 HA GLU 33 -12.197 1.321 4.427 238 HB2 GLU 33 HB2 GLU 33 -14.154 0.271 5.475 239 HB3 GLU 33 HB1 GLU 33 -13.409 -1.316 5.292 240 HG2 GLU 33 HG2 GLU 33 -11.630 -0.699 6.784 241 HG3 GLU 33 HG1 GLU 33 -12.248 0.945 6.906 242 H TYR 34 HN TYR 34 -10.143 1.281 3.896 243 HA TYR 34 HA TYR 34 -8.694 -1.212 3.641 244 HB2 TYR 34 HB2 TYR 34 -7.794 1.663 3.501 245 HB3 TYR 34 HB1 TYR 34 -6.721 0.284 3.297 246 HD1 TYR 34 HD1 TYR 34 -7.271 -1.360 1.408 247 HD2 TYR 34 HD2 TYR 34 -8.946 2.539 1.679 248 HE1 TYR 34 HE1 TYR 34 -7.808 -1.435 -0.986 249 HE2 TYR 34 HE2 TYR 34 -9.483 2.479 -0.714 250 HH TYR 34 HH TYR 34 -9.264 -0.402 -2.580 251 H GLU 35 HN GLU 35 -7.327 -2.052 5.090 252 HA GLU 35 HA GLU 35 -7.059 -0.627 7.646 253 HB2 GLU 35 HB2 GLU 35 -8.491 -2.769 7.557 254 HB3 GLU 35 HB1 GLU 35 -6.960 -3.617 7.361 255 HG2 GLU 35 HG2 GLU 35 -6.196 -2.903 9.488 256 HG3 GLU 35 HG1 GLU 35 -7.524 -1.758 9.653 257 H VAL 36 HN VAL 36 -5.097 0.111 7.814 258 HA VAL 36 HA VAL 36 -2.924 -1.169 6.354 259 HB VAL 36 HB VAL 36 -3.101 1.114 5.787 260 HG11 VAL 36 HG11 VAL 36 -3.223 1.722 8.735 261 HG12 VAL 36 HG12 VAL 36 -4.532 1.883 7.564 262 HG13 VAL 36 HG13 VAL 36 -3.119 2.931 7.457 263 HG21 VAL 36 HG21 VAL 36 -0.920 0.876 7.855 264 HG22 VAL 36 HG22 VAL 36 -1.014 2.113 6.603 265 HG23 VAL 36 HG23 VAL 36 -0.804 0.420 6.156 266 H LYS 37 HN LYS 37 -1.282 -2.151 7.301 267 HA LYS 37 HA LYS 37 -0.892 -1.815 10.207 268 HB2 LYS 37 HB2 LYS 37 -0.518 -4.358 8.601 269 HB3 LYS 37 HB1 LYS 37 -0.147 -4.169 10.305 270 HG2 LYS 37 HG2 LYS 37 -2.181 -5.251 10.351 271 HG3 LYS 37 HG1 LYS 37 -2.653 -3.562 10.537 272 HD2 LYS 37 HD2 LYS 37 -3.249 -3.421 8.208 273 HD3 LYS 37 HD1 LYS 37 -2.634 -5.043 7.908 274 HE2 LYS 37 HE2 LYS 37 -4.963 -4.333 9.687 275 HE3 LYS 37 HE1 LYS 37 -5.076 -5.021 8.069 276 HZ1 LYS 37 HZ1 LYS 37 -3.873 -6.979 8.914 277 HZ2 LYS 37 HZ2 LYS 37 -5.350 -6.737 9.697 278 HZ3 LYS 37 HZ3 LYS 37 -3.909 -6.318 10.470 279 H MET 38 HN MET 38 1.189 -1.345 10.805 280 HA MET 38 HA MET 38 3.147 -1.250 8.601 281 HB2 MET 38 HB2 MET 38 2.186 0.880 9.910 282 HB3 MET 38 HB1 MET 38 3.519 0.466 10.984 283 HG2 MET 38 HG2 MET 38 5.111 0.761 9.312 284 HG3 MET 38 HG1 MET 38 3.906 0.730 8.035 285 HE1 MET 38 HE1 MET 38 4.432 4.285 7.252 286 HE2 MET 38 HE2 MET 38 3.843 2.700 6.737 287 HE3 MET 38 HE3 MET 38 5.515 2.891 7.267 288 H LYS 39 HN LYS 39 5.264 -1.935 8.976 289 HA LYS 39 HA LYS 39 5.936 -3.005 11.613 290 HB2 LYS 39 HB2 LYS 39 4.649 -4.697 10.015 291 HB3 LYS 39 HB1 LYS 39 6.242 -4.879 9.306 292 HG2 LYS 39 HG2 LYS 39 5.681 -5.269 12.231 293 HG3 LYS 39 HG1 LYS 39 5.625 -6.571 11.047 294 HD2 LYS 39 HD2 LYS 39 7.962 -6.212 10.506 295 HD3 LYS 39 HD1 LYS 39 8.031 -4.840 11.613 296 HE2 LYS 39 HE2 LYS 39 7.411 -7.680 12.416 297 HE3 LYS 39 HE1 LYS 39 8.994 -6.917 12.555 298 HZ1 LYS 39 HZ1 LYS 39 8.015 -5.277 14.046 299 HZ2 LYS 39 HZ2 LYS 39 7.825 -6.840 14.648 300 HZ3 LYS 39 HZ3 LYS 39 6.515 -6.045 13.938 301 H ARG 40 HN ARG 40 8.096 -2.888 12.009 302 HA ARG 40 HA ARG 40 9.806 -1.864 9.875 303 HB2 ARG 40 HB2 ARG 40 10.053 -1.982 12.857 304 HB3 ARG 40 HB1 ARG 40 11.488 -1.767 11.873 305 HG2 ARG 40 HG2 ARG 40 10.725 0.370 12.618 306 HG3 ARG 40 HG1 ARG 40 10.454 0.246 10.880 307 HD2 ARG 40 HD2 ARG 40 8.555 1.280 12.018 308 HD3 ARG 40 HD1 ARG 40 8.107 -0.250 11.266 309 HE ARG 40 HE ARG 40 8.818 -0.762 13.922 310 HH11 ARG 40 HH11 ARG 40 6.355 0.964 12.148 311 HH12 ARG 40 HH12 ARG 40 5.123 0.698 13.339 312 HH21 ARG 40 HH21 ARG 40 7.193 -1.126 15.503 313 HH22 ARG 40 HH22 ARG 40 5.597 -0.498 15.239 314 H PHE 41 HN PHE 41 11.261 -3.027 8.854 315 HA PHE 41 HA PHE 41 12.027 -5.647 9.969 316 HB2 PHE 41 HB2 PHE 41 11.690 -4.737 7.116 317 HB3 PHE 41 HB1 PHE 41 12.678 -6.132 7.520 318 HD1 PHE 41 HD2 PHE 41 9.281 -4.825 8.369 319 HD2 PHE 41 HD1 PHE 41 11.687 -8.156 7.281 320 HE1 PHE 41 HE2 PHE 41 7.285 -6.255 8.355 321 HE2 PHE 41 HE1 PHE 41 9.691 -9.598 7.269 322 HZ PHE 41 HZ PHE 41 7.486 -8.647 7.806 323 H LYS 42 HN LYS 42 14.167 -6.082 10.201 324 HA LYS 42 HA LYS 42 16.092 -4.279 8.942 325 HB2 LYS 42 HB2 LYS 42 16.095 -4.979 11.885 326 HB3 LYS 42 HB1 LYS 42 17.427 -4.193 11.047 327 HG2 LYS 42 HG2 LYS 42 15.854 -2.352 10.438 328 HG3 LYS 42 HG1 LYS 42 14.654 -3.115 11.481 329 HD2 LYS 42 HD2 LYS 42 16.172 -2.878 13.388 330 HD3 LYS 42 HD1 LYS 42 17.362 -2.103 12.340 331 HE2 LYS 42 HE2 LYS 42 14.599 -1.082 12.990 332 HE3 LYS 42 HE1 LYS 42 16.123 -0.425 13.581 333 HZ1 LYS 42 HZ1 LYS 42 16.708 0.089 11.260 334 HZ2 LYS 42 HZ2 LYS 42 15.321 0.907 11.774 335 HZ3 LYS 42 HZ3 LYS 42 15.180 -0.440 10.766 336 H GLY 43 HN GLY 43 17.139 -5.585 7.650 337 HA2 GLY 43 HA2 GLY 43 18.952 -7.289 7.657 338 HA3 GLY 43 HA1 GLY 43 17.885 -8.262 8.660 339 H ALA 44 HN ALA 44 15.994 -6.643 6.505 340 HA ALA 44 HA ALA 44 16.048 -8.888 4.599 341 HB1 ALA 44 HB1 ALA 44 13.670 -8.521 4.242 342 HB2 ALA 44 HB2 ALA 44 13.690 -7.176 5.382 343 HB3 ALA 44 HB3 ALA 44 13.998 -8.817 5.949 344 H ALA 45 HN ALA 45 15.071 -8.205 2.407 345 HA ALA 45 HA ALA 45 16.596 -6.110 1.307 346 HB1 ALA 45 HB1 ALA 45 15.301 -6.454 -0.721 347 HB2 ALA 45 HB2 ALA 45 14.106 -7.384 0.182 348 HB3 ALA 45 HB3 ALA 45 15.747 -8.003 -0.004 349 H TYR 46 HN TYR 46 13.640 -6.129 2.988 350 HA TYR 46 HA TYR 46 13.129 -3.345 2.262 351 HB2 TYR 46 HB2 TYR 46 10.717 -4.025 3.113 352 HB3 TYR 46 HB1 TYR 46 11.203 -4.325 1.448 353 HD1 TYR 46 HD2 TYR 46 10.821 -5.931 4.769 354 HD2 TYR 46 HD1 TYR 46 11.271 -6.504 0.579 355 HE1 TYR 46 HE2 TYR 46 10.349 -8.327 5.053 356 HE2 TYR 46 HE1 TYR 46 10.804 -8.902 0.853 357 HH TYR 46 HH TYR 46 10.888 -10.604 2.541 358 H LYS 47 HN LYS 47 12.704 -1.959 3.933 359 HA LYS 47 HA LYS 47 13.538 -2.997 6.557 360 HB2 LYS 47 HB2 LYS 47 13.722 -0.218 5.380 361 HB3 LYS 47 HB1 LYS 47 14.104 -0.598 7.048 362 HG2 LYS 47 HG2 LYS 47 16.150 -0.462 5.832 363 HG3 LYS 47 HG1 LYS 47 15.868 -2.156 6.233 364 HD2 LYS 47 HD2 LYS 47 16.672 -1.955 3.953 365 HD3 LYS 47 HD1 LYS 47 15.006 -2.533 3.958 366 HE2 LYS 47 HE2 LYS 47 14.299 -0.144 3.578 367 HE3 LYS 47 HE1 LYS 47 15.999 0.236 3.315 368 HZ1 LYS 47 HZ1 LYS 47 15.982 -1.468 1.532 369 HZ2 LYS 47 HZ2 LYS 47 14.973 -0.146 1.214 370 HZ3 LYS 47 HZ3 LYS 47 14.303 -1.614 1.725 371 H LEU 48 HN LEU 48 10.982 -1.689 4.801 372 HA LEU 48 HA LEU 48 9.383 -1.560 7.254 373 HB2 LEU 48 HB2 LEU 48 10.163 0.710 5.967 374 HB3 LEU 48 HB1 LEU 48 8.656 0.369 5.142 375 HG LEU 48 HG LEU 48 8.341 1.939 6.998 376 HD11 LEU 48 HD11 LEU 48 7.089 -0.745 7.530 377 HD12 LEU 48 HD12 LEU 48 6.501 0.466 6.394 378 HD13 LEU 48 HD13 LEU 48 6.513 0.812 8.119 379 HD21 LEU 48 HD21 LEU 48 9.189 -0.331 8.779 380 HD22 LEU 48 HD22 LEU 48 8.634 1.263 9.287 381 HD23 LEU 48 HD23 LEU 48 10.164 1.095 8.424 382 H ARG 49 HN ARG 49 7.561 -2.695 7.103 383 HA ARG 49 HA ARG 49 6.576 -3.410 4.413 384 HB2 ARG 49 HB2 ARG 49 7.520 -5.327 5.724 385 HB3 ARG 49 HB1 ARG 49 6.285 -5.038 6.943 386 HG2 ARG 49 HG2 ARG 49 4.620 -5.313 4.995 387 HG3 ARG 49 HG1 ARG 49 5.977 -6.067 4.154 388 HD2 ARG 49 HD2 ARG 49 4.771 -7.823 5.188 389 HD3 ARG 49 HD1 ARG 49 6.223 -7.579 6.156 390 HE ARG 49 HE ARG 49 4.470 -6.044 7.453 391 HH11 ARG 49 HH11 ARG 49 4.239 -9.327 6.280 392 HH12 ARG 49 HH12 ARG 49 3.044 -9.808 7.452 393 HH21 ARG 49 HH21 ARG 49 2.914 -6.673 9.036 394 HH22 ARG 49 HH22 ARG 49 2.314 -8.299 9.026 395 H ILE 50 HN ILE 50 4.618 -2.639 3.963 396 HA ILE 50 HA ILE 50 2.840 -1.979 6.232 397 HB ILE 50 HB ILE 50 2.824 -0.500 3.590 398 HG12 ILE 50 HG12 ILE 50 3.779 1.427 4.941 399 HG13 ILE 50 HG11 ILE 50 4.194 0.252 6.177 400 HG21 ILE 50 HG21 ILE 50 1.599 0.137 6.263 401 HG22 ILE 50 HG22 ILE 50 0.742 -0.493 4.855 402 HG23 ILE 50 HG23 ILE 50 1.470 1.113 4.801 403 HD11 ILE 50 HD11 ILE 50 6.024 0.962 4.596 404 HD12 ILE 50 HD12 ILE 50 5.185 0.019 3.361 405 HD13 ILE 50 HD13 ILE 50 5.789 -0.773 4.823 406 H LEU 51 HN LEU 51 0.942 -2.926 6.217 407 HA LEU 51 HA LEU 51 0.127 -4.419 3.814 408 HB2 LEU 51 HB2 LEU 51 0.147 -5.036 6.690 409 HB3 LEU 51 HB1 LEU 51 -1.346 -5.457 5.879 410 HG LEU 51 HG LEU 51 0.300 -7.323 6.051 411 HD11 LEU 51 HD11 LEU 51 -0.414 -6.438 3.263 412 HD12 LEU 51 HD12 LEU 51 -1.451 -7.341 4.368 413 HD13 LEU 51 HD13 LEU 51 0.027 -8.076 3.746 414 HD21 LEU 51 HD21 LEU 51 1.875 -5.657 4.092 415 HD22 LEU 51 HD22 LEU 51 2.222 -7.326 4.541 416 HD23 LEU 51 HD23 LEU 51 2.351 -6.044 5.745 417 H ILE 52 HN ILE 52 -1.436 -3.369 2.753 418 HA ILE 52 HA ILE 52 -3.560 -2.107 4.366 419 HB ILE 52 HB ILE 52 -2.795 -1.281 1.562 420 HG12 ILE 52 HG12 ILE 52 -2.094 0.874 2.943 421 HG13 ILE 52 HG11 ILE 52 -1.819 -0.314 4.215 422 HG21 ILE 52 HG21 ILE 52 -5.106 -0.847 2.168 423 HG22 ILE 52 HG22 ILE 52 -4.203 0.662 2.028 424 HG23 ILE 52 HG23 ILE 52 -4.579 0.004 3.621 425 HD11 ILE 52 HD11 ILE 52 -0.576 -0.392 1.476 426 HD12 ILE 52 HD12 ILE 52 -0.257 -1.501 2.812 427 HD13 ILE 52 HD13 ILE 52 0.207 0.196 2.942 428 H GLU 53 HN GLU 53 -5.174 -3.583 4.355 429 HA GLU 53 HA GLU 53 -5.782 -4.842 1.767 430 HB2 GLU 53 HB2 GLU 53 -6.772 -6.677 2.949 431 HB3 GLU 53 HB1 GLU 53 -5.176 -6.385 3.622 432 HG2 GLU 53 HG2 GLU 53 -6.293 -5.076 5.437 433 HG3 GLU 53 HG1 GLU 53 -7.831 -5.661 4.815 434 H ASN 54 HN ASN 54 -7.950 -5.095 1.161 435 HA ASN 54 HA ASN 54 -9.634 -2.887 2.073 436 HB2 ASN 54 HB2 ASN 54 -9.148 -3.315 -0.402 437 HB3 ASN 54 HB1 ASN 54 -10.165 -4.743 -0.229 438 HD21 ASN 54 HD21 ASN 54 -10.835 -1.798 1.507 439 HD22 ASN 54 HD22 ASN 54 -12.264 -1.394 0.626 440 H LYS 55 HN LYS 55 -10.874 -3.412 3.727 441 HA LYS 55 HA LYS 55 -12.475 -5.852 3.533 442 HB2 LYS 55 HB2 LYS 55 -12.172 -5.989 6.098 443 HB3 LYS 55 HB1 LYS 55 -10.870 -6.569 5.067 444 HG2 LYS 55 HG2 LYS 55 -9.718 -4.400 5.363 445 HG3 LYS 55 HG1 LYS 55 -10.990 -3.913 6.483 446 HD2 LYS 55 HD2 LYS 55 -9.267 -6.359 6.843 447 HD3 LYS 55 HD1 LYS 55 -8.923 -4.792 7.577 448 HE2 LYS 55 HE2 LYS 55 -11.117 -4.876 8.699 449 HE3 LYS 55 HE1 LYS 55 -11.380 -6.481 8.018 450 HZ1 LYS 55 HZ1 LYS 55 -9.510 -7.312 9.237 451 HZ2 LYS 55 HZ2 LYS 55 -10.536 -6.520 10.317 452 HZ3 LYS 55 HZ3 LYS 55 -9.111 -5.765 9.802 453 H ALA 56 HN ALA 56 -14.224 -4.663 2.923 454 HA ALA 56 HA ALA 56 -15.506 -3.199 5.125 455 HB1 ALA 56 HB1 ALA 56 -16.474 -1.625 3.419 456 HB2 ALA 56 HB2 ALA 56 -15.320 -2.282 2.262 457 HB3 ALA 56 HB3 ALA 56 -14.745 -1.451 3.703 458 HA PRO 57 HA PRO 57 -18.958 -5.793 4.319 459 HB2 PRO 57 HB2 PRO 57 -21.079 -4.118 4.705 460 HB3 PRO 57 HB1 PRO 57 -20.120 -4.807 6.018 461 HG2 PRO 57 HG2 PRO 57 -19.962 -2.094 4.774 462 HG3 PRO 57 HG1 PRO 57 -19.846 -2.553 6.482 463 HD2 PRO 57 HD2 PRO 57 -17.670 -1.972 4.992 464 HD3 PRO 57 HD1 PRO 57 -17.633 -3.175 6.292 465 H ASN 58 HN ASN 58 -18.931 -2.716 2.616 466 HA ASN 58 HA ASN 58 -20.126 -4.026 0.283 467 HB2 ASN 58 HB2 ASN 58 -21.158 -1.435 1.471 468 HB3 ASN 58 HB1 ASN 58 -21.681 -2.132 -0.055 469 HD21 ASN 58 HD21 ASN 58 -21.770 -2.432 3.411 470 HD22 ASN 58 HD22 ASN 58 -23.087 -3.550 3.475 471 H SER 59 HN SER 59 -17.678 -3.760 -0.018 472 HA SER 59 HA SER 59 -16.677 -1.078 -0.323 473 HB2 SER 59 HB2 SER 59 -15.378 -3.066 0.589 474 HB3 SER 59 HB1 SER 59 -15.284 -3.653 -1.067 475 HG SER 59 HG SER 59 -13.525 -2.473 -1.031 476 H LYS 60 HN LYS 60 -15.825 -0.159 -2.174 477 HA LYS 60 HA LYS 60 -16.426 -1.430 -4.741 478 HB2 LYS 60 HB2 LYS 60 -17.172 1.376 -3.919 479 HB3 LYS 60 HB1 LYS 60 -17.120 0.847 -5.596 480 HG2 LYS 60 HG2 LYS 60 -18.844 -0.396 -3.466 481 HG3 LYS 60 HG1 LYS 60 -19.385 0.832 -4.611 482 HD2 LYS 60 HD2 LYS 60 -18.868 -0.663 -6.471 483 HD3 LYS 60 HD1 LYS 60 -18.301 -1.889 -5.334 484 HE2 LYS 60 HE2 LYS 60 -20.570 -2.364 -6.074 485 HE3 LYS 60 HE1 LYS 60 -20.523 -2.015 -4.348 486 HZ1 LYS 60 HZ1 LYS 60 -22.380 -0.918 -5.457 487 HZ2 LYS 60 HZ2 LYS 60 -21.306 -0.082 -6.459 488 HZ3 LYS 60 HZ3 LYS 60 -21.309 0.212 -4.790 489 HA PRO 61 HA PRO 61 -12.054 0.102 -4.731 490 HB2 PRO 61 HB2 PRO 61 -11.208 -1.950 -6.343 491 HB3 PRO 61 HB1 PRO 61 -11.204 -2.020 -4.578 492 HG2 PRO 61 HG2 PRO 61 -13.198 -3.121 -6.517 493 HG3 PRO 61 HG1 PRO 61 -12.544 -3.858 -5.042 494 HD2 PRO 61 HD2 PRO 61 -14.982 -2.729 -5.095 495 HD3 PRO 61 HD1 PRO 61 -13.941 -2.634 -3.657 496 H ASP 62 HN ASP 62 -11.030 1.166 -6.402 497 HA ASP 62 HA ASP 62 -12.568 1.363 -8.907 498 HB2 ASP 62 HB2 ASP 62 -12.699 3.393 -7.496 499 HB3 ASP 62 HB1 ASP 62 -10.945 3.528 -7.551 500 H ARG 63 HN ARG 63 -9.374 2.540 -7.931 501 HA ARG 63 HA ARG 63 -7.978 0.576 -9.488 502 HB2 ARG 63 HB2 ARG 63 -6.940 2.146 -11.041 503 HB3 ARG 63 HB1 ARG 63 -8.686 2.170 -11.242 504 HG2 ARG 63 HG2 ARG 63 -8.606 4.171 -9.615 505 HG3 ARG 63 HG1 ARG 63 -6.897 4.239 -10.045 506 HD2 ARG 63 HD2 ARG 63 -7.497 4.411 -12.402 507 HD3 ARG 63 HD1 ARG 63 -9.205 4.325 -11.973 508 HE ARG 63 HE ARG 63 -8.302 6.443 -10.543 509 HH11 ARG 63 HH11 ARG 63 -8.155 5.586 -13.940 510 HH12 ARG 63 HH12 ARG 63 -8.176 7.231 -14.484 511 HH21 ARG 63 HH21 ARG 63 -8.337 8.615 -11.270 512 HH22 ARG 63 HH22 ARG 63 -8.277 8.948 -12.973 513 H PHE 64 HN PHE 64 -5.554 1.141 -9.431 514 HA PHE 64 HA PHE 64 -4.952 2.617 -6.959 515 HB2 PHE 64 HB2 PHE 64 -3.882 -0.047 -7.871 516 HB3 PHE 64 HB1 PHE 64 -3.034 0.943 -6.686 517 HD1 PHE 64 HD1 PHE 64 -4.230 1.575 -4.576 518 HD2 PHE 64 HD2 PHE 64 -5.670 -1.419 -7.232 519 HE1 PHE 64 HE1 PHE 64 -5.632 0.655 -2.773 520 HE2 PHE 64 HE2 PHE 64 -7.074 -2.343 -5.436 521 HZ PHE 64 HZ PHE 64 -7.058 -1.307 -3.204 522 H SER 65 HN SER 65 -3.723 4.291 -7.319 523 HA SER 65 HA SER 65 -1.521 4.069 -9.232 524 HB2 SER 65 HB2 SER 65 -3.430 6.420 -9.117 525 HB3 SER 65 HB1 SER 65 -2.001 6.297 -10.143 526 HG SER 65 HG SER 65 -2.979 4.562 -11.215 527 HA PRO 66 HA PRO 66 -0.181 5.913 -5.242 528 HB2 PRO 66 HB2 PRO 66 1.814 4.217 -4.717 529 HB3 PRO 66 HB1 PRO 66 0.133 3.760 -4.423 530 HG2 PRO 66 HG2 PRO 66 1.916 3.036 -6.706 531 HG3 PRO 66 HG1 PRO 66 0.776 2.019 -5.808 532 HD2 PRO 66 HD2 PRO 66 0.235 3.189 -8.245 533 HD3 PRO 66 HD1 PRO 66 -1.003 2.697 -7.069 534 H SER 67 HN SER 67 1.828 6.924 -4.687 535 HA SER 67 HA SER 67 3.976 7.030 -6.551 536 HB2 SER 67 HB2 SER 67 3.733 9.468 -7.098 537 HB3 SER 67 HB1 SER 67 2.518 8.434 -7.846 538 HG SER 67 HG SER 67 1.030 9.452 -6.789 539 H TYR 68 HN TYR 68 5.773 7.762 -5.651 540 HA TYR 68 HA TYR 68 5.595 8.558 -2.841 541 HB2 TYR 68 HB2 TYR 68 6.975 6.623 -3.176 542 HB3 TYR 68 HB1 TYR 68 7.852 7.406 -4.487 543 HD1 TYR 68 HD1 TYR 68 7.072 7.964 -0.875 544 HD2 TYR 68 HD2 TYR 68 9.929 8.267 -4.018 545 HE1 TYR 68 HE1 TYR 68 8.741 8.805 0.726 546 HE2 TYR 68 HE2 TYR 68 11.601 9.114 -2.415 547 HH TYR 68 HH TYR 68 11.131 9.028 0.969 548 H ASN 69 HN ASN 69 5.683 10.637 -2.454 549 HA ASN 69 HA ASN 69 7.193 12.373 -4.254 550 HB2 ASN 69 HB2 ASN 69 6.158 14.188 -2.693 551 HB3 ASN 69 HB1 ASN 69 5.149 13.395 -3.894 552 HD21 ASN 69 HD21 ASN 69 5.879 13.691 -0.523 553 HD22 ASN 69 HD22 ASN 69 4.447 12.928 0.064 554 H PHE 70 HN PHE 70 9.227 12.758 -3.826 555 HA PHE 70 HA PHE 70 10.516 12.035 -1.418 556 HB2 PHE 70 HB2 PHE 70 11.422 13.856 -3.660 557 HB3 PHE 70 HB1 PHE 70 12.463 13.296 -2.359 558 HD1 PHE 70 HD1 PHE 70 10.520 12.238 -5.303 559 HD2 PHE 70 HD2 PHE 70 13.433 11.149 -2.408 560 HE1 PHE 70 HE1 PHE 70 11.082 10.244 -6.628 561 HE2 PHE 70 HE2 PHE 70 14.004 9.148 -3.723 562 HZ PHE 70 HZ PHE 70 12.825 8.694 -5.838 563 H ALA 71 HN ALA 71 8.926 14.886 -2.476 564 HA ALA 71 HA ALA 71 10.060 16.883 -0.947 565 HB1 ALA 71 HB1 ALA 71 8.378 17.261 -2.677 566 HB2 ALA 71 HB2 ALA 71 7.932 18.048 -1.162 567 HB3 ALA 71 HB3 ALA 71 7.147 16.541 -1.638 568 H GLU 72 HN GLU 72 7.439 14.673 -0.023 569 HA GLU 72 HA GLU 72 7.760 15.584 2.762 570 HB2 GLU 72 HB2 GLU 72 5.383 14.029 1.844 571 HB3 GLU 72 HB1 GLU 72 5.510 15.188 3.156 572 HG2 GLU 72 HG2 GLU 72 5.631 17.015 1.543 573 HG3 GLU 72 HG1 GLU 72 5.504 15.854 0.222 574 H ASN 73 HN ASN 73 8.806 13.309 0.830 575 HA ASN 73 HA ASN 73 9.262 11.104 0.775 576 HB2 ASN 73 HB2 ASN 73 10.317 10.174 2.818 577 HB3 ASN 73 HB1 ASN 73 10.946 11.751 2.371 578 HD21 ASN 73 HD21 ASN 73 8.952 10.000 4.624 579 HD22 ASN 73 HD22 ASN 73 8.942 11.211 5.855 580 H ILE 74 HN ILE 74 6.626 11.395 0.681 581 HA ILE 74 HA ILE 74 5.615 9.239 2.414 582 HB ILE 74 HB ILE 74 4.215 11.756 1.521 583 HG12 ILE 74 HG12 ILE 74 4.499 10.658 4.305 584 HG13 ILE 74 HG11 ILE 74 5.768 11.629 3.574 585 HG21 ILE 74 HG21 ILE 74 3.015 9.348 2.888 586 HG22 ILE 74 HG22 ILE 74 2.656 9.909 1.254 587 HG23 ILE 74 HG23 ILE 74 2.205 10.895 2.647 588 HD11 ILE 74 HD11 ILE 74 2.932 12.494 4.043 589 HD12 ILE 74 HD12 ILE 74 4.205 13.465 3.302 590 HD13 ILE 74 HD13 ILE 74 4.346 12.966 4.988 591 H LEU 75 HN LEU 75 4.528 7.626 1.477 592 HA LEU 75 HA LEU 75 4.214 7.695 -1.446 593 HB2 LEU 75 HB2 LEU 75 5.763 5.997 -0.570 594 HB3 LEU 75 HB1 LEU 75 4.513 5.376 0.480 595 HG LEU 75 HG LEU 75 5.122 4.076 -1.664 596 HD11 LEU 75 HD11 LEU 75 2.257 4.707 -0.989 597 HD12 LEU 75 HD12 LEU 75 3.266 3.452 -0.266 598 HD13 LEU 75 HD13 LEU 75 2.797 3.338 -1.962 599 HD21 LEU 75 HD21 LEU 75 3.859 4.705 -3.649 600 HD22 LEU 75 HD22 LEU 75 5.027 5.950 -3.211 601 HD23 LEU 75 HD23 LEU 75 3.318 6.178 -2.844 602 H TYR 76 HN TYR 76 2.177 8.374 -1.842 603 HA TYR 76 HA TYR 76 0.032 7.418 -0.113 604 HB2 TYR 76 HB2 TYR 76 -1.135 9.264 -0.684 605 HB3 TYR 76 HB1 TYR 76 0.413 9.861 -1.257 606 HD1 TYR 76 HD2 TYR 76 -2.813 8.404 -2.278 607 HD2 TYR 76 HD1 TYR 76 0.809 10.201 -3.594 608 HE1 TYR 76 HE2 TYR 76 -3.797 8.732 -4.503 609 HE2 TYR 76 HE1 TYR 76 -0.173 10.544 -5.825 610 HH TYR 76 HH TYR 76 -3.530 10.073 -6.452 611 H ILE 77 HN ILE 77 -1.670 6.161 -0.816 612 HA ILE 77 HA ILE 77 -0.912 4.430 -3.040 613 HB ILE 77 HB ILE 77 -2.890 4.053 -0.790 614 HG12 ILE 77 HG12 ILE 77 -0.491 3.883 -0.190 615 HG13 ILE 77 HG11 ILE 77 -1.349 2.358 0.009 616 HG21 ILE 77 HG21 ILE 77 -2.171 2.103 -2.975 617 HG22 ILE 77 HG22 ILE 77 -3.699 2.969 -2.835 618 HG23 ILE 77 HG23 ILE 77 -3.238 1.789 -1.606 619 HD11 ILE 77 HD11 ILE 77 -0.430 1.582 -2.123 620 HD12 ILE 77 HD12 ILE 77 0.832 1.995 -0.961 621 HD13 ILE 77 HD13 ILE 77 0.455 3.100 -2.282 622 H ASN 78 HN ASN 78 -3.707 6.217 -1.828 623 HA ASN 78 HA ASN 78 -4.911 6.296 -4.458 624 HB2 ASN 78 HB2 ASN 78 -5.438 4.038 -3.142 625 HB3 ASN 78 HB1 ASN 78 -6.595 5.065 -2.308 626 HD21 ASN 78 HD21 ASN 78 -7.030 2.791 -4.042 627 HD22 ASN 78 HD22 ASN 78 -8.004 3.349 -5.353 628 H GLY 79 HN GLY 79 -7.117 7.441 -4.247 629 HA2 GLY 79 HA2 GLY 79 -6.821 9.762 -2.581 630 HA3 GLY 79 HA1 GLY 79 -8.181 9.403 -3.637 631 H LYS 80 HN LYS 80 -6.902 7.433 -1.056 632 HA LYS 80 HA LYS 80 -9.341 7.830 0.534 633 HB2 LYS 80 HB2 LYS 80 -7.938 5.170 0.239 634 HB3 LYS 80 HB1 LYS 80 -9.500 5.485 0.976 635 HG2 LYS 80 HG2 LYS 80 -8.896 5.794 -1.953 636 HG3 LYS 80 HG1 LYS 80 -9.635 4.370 -1.224 637 HD2 LYS 80 HD2 LYS 80 -11.470 5.839 -0.387 638 HD3 LYS 80 HD1 LYS 80 -10.752 7.166 -1.305 639 HE2 LYS 80 HE2 LYS 80 -11.053 5.926 -3.376 640 HE3 LYS 80 HE1 LYS 80 -11.705 4.555 -2.482 641 HZ1 LYS 80 HZ1 LYS 80 -13.546 5.972 -1.766 642 HZ2 LYS 80 HZ2 LYS 80 -13.476 5.851 -3.450 643 HZ3 LYS 80 HZ3 LYS 80 -12.927 7.255 -2.679 644 H LEU 81 HN LEU 81 -5.972 6.827 0.341 645 HA LEU 81 HA LEU 81 -5.394 7.868 2.944 646 HB2 LEU 81 HB2 LEU 81 -4.371 5.599 3.655 647 HB3 LEU 81 HB1 LEU 81 -6.074 5.909 3.909 648 HG LEU 81 HG LEU 81 -6.612 4.563 1.913 649 HD11 LEU 81 HD11 LEU 81 -4.937 3.250 0.795 650 HD12 LEU 81 HD12 LEU 81 -3.677 3.884 1.855 651 HD13 LEU 81 HD13 LEU 81 -4.481 4.954 0.707 652 HD21 LEU 81 HD21 LEU 81 -6.004 2.391 2.874 653 HD22 LEU 81 HD22 LEU 81 -6.603 3.519 4.090 654 HD23 LEU 81 HD23 LEU 81 -4.873 3.202 3.959 655 H SER 82 HN SER 82 -3.189 7.947 3.463 656 HA SER 82 HA SER 82 -1.358 7.358 1.242 657 HB2 SER 82 HB2 SER 82 -0.103 9.425 1.915 658 HB3 SER 82 HB1 SER 82 -1.715 9.741 1.273 659 HG SER 82 HG SER 82 -2.452 10.168 3.299 660 H ILE 83 HN ILE 83 0.721 6.636 1.829 661 HA ILE 83 HA ILE 83 0.931 5.801 4.648 662 HB ILE 83 HB ILE 83 2.176 4.517 2.210 663 HG12 ILE 83 HG12 ILE 83 -0.242 4.160 2.272 664 HG13 ILE 83 HG11 ILE 83 0.605 2.663 2.639 665 HG21 ILE 83 HG21 ILE 83 2.823 2.719 3.736 666 HG22 ILE 83 HG22 ILE 83 2.168 3.634 5.093 667 HG23 ILE 83 HG23 ILE 83 3.555 4.254 4.199 668 HD11 ILE 83 HD11 ILE 83 -0.732 4.492 4.622 669 HD12 ILE 83 HD12 ILE 83 0.166 3.032 5.031 670 HD13 ILE 83 HD13 ILE 83 -1.314 2.918 4.080 671 HA PRO 84 HA PRO 84 4.425 8.718 4.376 672 HB2 PRO 84 HB2 PRO 84 4.239 8.616 7.300 673 HB3 PRO 84 HB1 PRO 84 4.103 10.008 6.221 674 HG2 PRO 84 HG2 PRO 84 1.982 9.031 7.546 675 HG3 PRO 84 HG1 PRO 84 1.842 9.719 5.918 676 HD2 PRO 84 HD2 PRO 84 1.963 6.837 6.747 677 HD3 PRO 84 HD1 PRO 84 0.891 7.622 5.565 678 H LEU 85 HN LEU 85 6.563 8.320 4.608 679 HA LEU 85 HA LEU 85 7.286 5.768 5.876 680 HB2 LEU 85 HB2 LEU 85 8.739 7.365 3.763 681 HB3 LEU 85 HB1 LEU 85 9.366 5.910 4.509 682 HG LEU 85 HG LEU 85 8.540 5.152 2.482 683 HD11 LEU 85 HD11 LEU 85 6.249 4.795 4.403 684 HD12 LEU 85 HD12 LEU 85 7.697 3.792 4.313 685 HD13 LEU 85 HD13 LEU 85 6.558 3.821 2.967 686 HD21 LEU 85 HD21 LEU 85 6.105 6.873 2.885 687 HD22 LEU 85 HD22 LEU 85 6.396 5.801 1.515 688 HD23 LEU 85 HD23 LEU 85 7.442 7.196 1.781 689 HA PRO 86 HA PRO 86 9.476 7.961 9.032 690 HB2 PRO 86 HB2 PRO 86 11.403 6.080 9.565 691 HB3 PRO 86 HB1 PRO 86 9.764 6.026 10.210 692 HG2 PRO 86 HG2 PRO 86 10.940 4.571 7.894 693 HG3 PRO 86 HG1 PRO 86 9.791 3.990 9.112 694 HD2 PRO 86 HD2 PRO 86 9.024 4.698 6.622 695 HD3 PRO 86 HD1 PRO 86 7.984 4.948 8.039 696 H ARG 87 HN ARG 87 11.193 9.307 9.112 697 HA ARG 87 HA ARG 87 12.573 9.725 6.638 698 HB2 ARG 87 HB2 ARG 87 12.591 11.166 9.276 699 HB3 ARG 87 HB1 ARG 87 13.712 11.596 7.994 700 HG2 ARG 87 HG2 ARG 87 11.902 13.084 7.805 701 HG3 ARG 87 HG1 ARG 87 11.704 11.912 6.502 702 HD2 ARG 87 HD2 ARG 87 10.110 10.669 7.953 703 HD3 ARG 87 HD1 ARG 87 10.237 11.971 9.135 704 HE ARG 87 HE ARG 87 9.545 13.048 6.624 705 HH11 ARG 87 HH11 ARG 87 8.196 11.149 9.234 706 HH12 ARG 87 HH12 ARG 87 6.555 11.603 8.896 707 HH21 ARG 87 HH21 ARG 87 7.391 13.631 6.150 708 HH22 ARG 87 HH22 ARG 87 6.096 13.029 7.138 709 H ASP 88 HN ASP 88 13.175 7.675 9.137 710 HA ASP 88 HA ASP 88 16.048 7.963 9.246 711 HB2 ASP 88 HB2 ASP 88 14.749 7.109 11.178 712 HB3 ASP 88 HB1 ASP 88 14.283 5.705 10.225 713 H ILE 89 HN ILE 89 13.756 6.510 7.235 714 HA ILE 89 HA ILE 89 15.685 4.576 6.168 715 HB ILE 89 HB ILE 89 12.699 4.748 5.753 716 HG12 ILE 89 HG12 ILE 89 14.374 2.847 7.408 717 HG13 ILE 89 HG11 ILE 89 13.309 4.099 8.037 718 HG21 ILE 89 HG21 ILE 89 13.823 3.775 3.823 719 HG22 ILE 89 HG22 ILE 89 12.915 2.544 4.701 720 HG23 ILE 89 HG23 ILE 89 14.668 2.636 4.873 721 HD11 ILE 89 HD11 ILE 89 11.402 2.935 7.012 722 HD12 ILE 89 HD12 ILE 89 12.245 1.966 8.220 723 HD13 ILE 89 HD13 ILE 89 12.497 1.650 6.502 724 H VAL 90 HN VAL 90 16.520 4.850 4.225 725 HA VAL 90 HA VAL 90 15.783 7.174 2.659 726 HB VAL 90 HB VAL 90 17.873 5.056 2.103 727 HG11 VAL 90 HG11 VAL 90 18.770 6.681 0.497 728 HG12 VAL 90 HG12 VAL 90 17.404 7.747 0.827 729 HG13 VAL 90 HG13 VAL 90 17.133 6.176 0.076 730 HG21 VAL 90 HG21 VAL 90 18.369 6.296 4.143 731 HG22 VAL 90 HG22 VAL 90 18.163 7.821 3.280 732 HG23 VAL 90 HG23 VAL 90 19.489 6.741 2.856 733 H VAL 91 HN VAL 91 14.107 7.019 1.315 734 HA VAL 91 HA VAL 91 13.562 4.388 0.132 735 HB VAL 91 HB VAL 91 11.870 4.622 1.734 736 HG11 VAL 91 HG11 VAL 91 10.518 6.641 2.036 737 HG12 VAL 91 HG12 VAL 91 11.508 7.465 0.834 738 HG13 VAL 91 HG13 VAL 91 12.229 6.930 2.351 739 HG21 VAL 91 HG21 VAL 91 10.985 3.983 -0.432 740 HG22 VAL 91 HG22 VAL 91 10.733 5.677 -0.846 741 HG23 VAL 91 HG23 VAL 91 9.804 4.943 0.461 742 H ASN 92 HN ASN 92 13.254 4.277 -1.937 743 HA ASN 92 HA ASN 92 12.619 6.647 -3.520 744 HB2 ASN 92 HB2 ASN 92 14.429 5.354 -5.132 745 HB3 ASN 92 HB1 ASN 92 14.771 6.804 -4.200 746 HD21 ASN 92 HD21 ASN 92 14.865 3.296 -4.100 747 HD22 ASN 92 HD22 ASN 92 16.213 3.181 -3.026 748 H ALA 93 HN ALA 93 12.076 5.981 -5.802 749 HA ALA 93 HA ALA 93 10.007 4.084 -5.708 750 HB1 ALA 93 HB1 ALA 93 9.815 4.454 -8.116 751 HB2 ALA 93 HB2 ALA 93 11.367 5.294 -8.107 752 HB3 ALA 93 HB3 ALA 93 9.992 5.970 -7.233 753 H ALA 94 HN ALA 94 13.346 3.749 -6.343 754 HA ALA 94 HA ALA 94 13.132 1.274 -7.819 755 HB1 ALA 94 HB1 ALA 94 14.978 2.817 -8.238 756 HB2 ALA 94 HB2 ALA 94 15.571 1.244 -7.705 757 HB3 ALA 94 HB3 ALA 94 15.540 2.602 -6.581 758 H ASP 95 HN ASP 95 13.035 2.177 -4.567 759 HA ASP 95 HA ASP 95 13.944 -0.468 -3.641 760 HB2 ASP 95 HB2 ASP 95 14.991 1.711 -2.753 761 HB3 ASP 95 HB1 ASP 95 13.467 1.960 -1.913 762 H ILE 96 HN ILE 96 11.297 1.662 -3.969 763 HA ILE 96 HA ILE 96 9.522 0.470 -2.081 764 HB ILE 96 HB ILE 96 9.078 2.271 -4.457 765 HG12 ILE 96 HG12 ILE 96 8.818 2.916 -1.527 766 HG13 ILE 96 HG11 ILE 96 10.333 3.097 -2.410 767 HG21 ILE 96 HG21 ILE 96 7.076 1.472 -2.342 768 HG22 ILE 96 HG22 ILE 96 7.064 0.931 -4.019 769 HG23 ILE 96 HG23 ILE 96 6.811 2.635 -3.642 770 HD11 ILE 96 HD11 ILE 96 7.748 4.465 -3.101 771 HD12 ILE 96 HD12 ILE 96 9.305 4.681 -3.905 772 HD13 ILE 96 HD13 ILE 96 9.099 5.194 -2.231 773 H LYS 97 HN LYS 97 8.626 -1.453 -2.267 774 HA LYS 97 HA LYS 97 8.098 -2.536 -4.955 775 HB2 LYS 97 HB2 LYS 97 8.341 -4.145 -2.423 776 HB3 LYS 97 HB1 LYS 97 8.394 -4.723 -4.080 777 HG2 LYS 97 HG2 LYS 97 10.488 -3.078 -2.680 778 HG3 LYS 97 HG1 LYS 97 10.599 -4.779 -3.124 779 HD2 LYS 97 HD2 LYS 97 10.328 -2.482 -5.067 780 HD3 LYS 97 HD1 LYS 97 11.832 -3.317 -4.680 781 HE2 LYS 97 HE2 LYS 97 10.967 -5.383 -5.583 782 HE3 LYS 97 HE1 LYS 97 9.392 -4.641 -5.857 783 HZ1 LYS 97 HZ1 LYS 97 10.368 -3.177 -7.477 784 HZ2 LYS 97 HZ2 LYS 97 10.749 -4.775 -7.880 785 HZ3 LYS 97 HZ3 LYS 97 11.913 -3.785 -7.166 786 H ILE 98 HN ILE 98 6.004 -2.138 -5.435 787 HA ILE 98 HA ILE 98 4.000 -2.497 -3.313 788 HB ILE 98 HB ILE 98 3.767 -0.910 -5.875 789 HG12 ILE 98 HG12 ILE 98 4.087 -0.022 -3.001 790 HG13 ILE 98 HG11 ILE 98 5.264 0.175 -4.293 791 HG21 ILE 98 HG21 ILE 98 1.660 -0.088 -4.902 792 HG22 ILE 98 HG22 ILE 98 1.852 -1.228 -3.570 793 HG23 ILE 98 HG23 ILE 98 1.632 -1.822 -5.215 794 HD11 ILE 98 HD11 ILE 98 4.206 2.269 -3.972 795 HD12 ILE 98 HD12 ILE 98 2.603 1.536 -4.011 796 HD13 ILE 98 HD13 ILE 98 3.580 1.594 -5.476 797 H PHE 99 HN PHE 99 2.719 -4.194 -3.444 798 HA PHE 99 HA PHE 99 2.217 -5.438 -6.057 799 HB2 PHE 99 HB2 PHE 99 2.754 -6.958 -3.501 800 HB3 PHE 99 HB1 PHE 99 2.448 -7.650 -5.086 801 HD1 PHE 99 HD2 PHE 99 4.882 -5.956 -2.960 802 HD2 PHE 99 HD1 PHE 99 4.194 -7.744 -6.759 803 HE1 PHE 99 HE2 PHE 99 7.298 -6.028 -3.360 804 HE2 PHE 99 HE1 PHE 99 6.618 -7.813 -7.166 805 HZ PHE 99 HZ PHE 99 8.174 -6.947 -5.467 806 H HIS 100 HN HIS 100 0.124 -5.616 -6.428 807 HA HIS 100 HA HIS 100 -1.713 -5.605 -4.128 808 HB2 HIS 100 HB2 HIS 100 -2.076 -3.771 -5.716 809 HB3 HIS 100 HB1 HIS 100 -2.267 -4.930 -7.026 810 HD1 HIS 100 HD1 HIS 100 -4.655 -5.296 -7.608 811 HD2 HIS 100 HD2 HIS 100 -4.156 -4.414 -3.569 812 HE1 HIS 100 HE1 HIS 100 -6.963 -5.287 -6.623 813 HE2 HIS 100 HE2 HIS 100 -6.652 -4.562 -4.235 814 H ILE 101 HN ILE 101 -2.415 -7.527 -3.562 815 HA ILE 101 HA ILE 101 -2.878 -9.570 -5.616 816 HB ILE 101 HB ILE 101 -2.998 -9.796 -2.598 817 HG12 ILE 101 HG12 ILE 101 -0.880 -10.773 -4.525 818 HG13 ILE 101 HG11 ILE 101 -0.714 -9.377 -3.466 819 HG21 ILE 101 HG21 ILE 101 -3.061 -12.202 -2.965 820 HG22 ILE 101 HG22 ILE 101 -3.067 -11.946 -4.711 821 HG23 ILE 101 HG23 ILE 101 -4.435 -11.410 -3.738 822 HD11 ILE 101 HD11 ILE 101 -1.041 -10.890 -1.530 823 HD12 ILE 101 HD12 ILE 101 0.413 -11.220 -2.472 824 HD13 ILE 101 HD13 ILE 101 -1.008 -12.251 -2.651 825 H ARG 102 HN ARG 102 -4.833 -9.315 -6.540 826 HA ARG 102 HA ARG 102 -6.932 -7.938 -5.135 827 HB2 ARG 102 HB2 ARG 102 -8.218 -8.233 -7.249 828 HB3 ARG 102 HB1 ARG 102 -6.680 -7.407 -7.441 829 HG2 ARG 102 HG2 ARG 102 -5.703 -9.584 -8.186 830 HG3 ARG 102 HG1 ARG 102 -7.343 -10.243 -8.183 831 HD2 ARG 102 HD2 ARG 102 -6.433 -7.842 -9.758 832 HD3 ARG 102 HD1 ARG 102 -6.623 -9.466 -10.412 833 HE ARG 102 HE ARG 102 -9.037 -9.220 -9.728 834 HH11 ARG 102 HH11 ARG 102 -7.073 -6.402 -10.463 835 HH12 ARG 102 HH12 ARG 102 -8.413 -5.483 -11.071 836 HH21 ARG 102 HH21 ARG 102 -10.788 -7.999 -10.521 837 HH22 ARG 102 HH22 ARG 102 -10.523 -6.384 -11.094 838 H LYS 103 HN LYS 103 -6.086 -11.228 -5.720 839 HA LYS 103 HA LYS 103 -8.645 -12.367 -5.257 840 HB2 LYS 103 HB2 LYS 103 -5.857 -13.467 -4.928 841 HB3 LYS 103 HB1 LYS 103 -7.306 -14.425 -4.657 842 HG2 LYS 103 HG2 LYS 103 -7.977 -14.140 -6.954 843 HG3 LYS 103 HG1 LYS 103 -6.617 -13.057 -7.248 844 HD2 LYS 103 HD2 LYS 103 -6.183 -15.326 -8.086 845 HD3 LYS 103 HD1 LYS 103 -5.053 -14.865 -6.811 846 HE2 LYS 103 HE2 LYS 103 -6.422 -16.113 -5.186 847 HE3 LYS 103 HE1 LYS 103 -7.492 -16.613 -6.494 848 HZ1 LYS 103 HZ1 LYS 103 -5.754 -17.855 -7.482 849 HZ2 LYS 103 HZ2 LYS 103 -5.761 -18.262 -5.840 850 HZ3 LYS 103 HZ3 LYS 103 -4.586 -17.200 -6.446 851 H GLU 104 HN GLU 104 -5.914 -11.630 -3.138 852 HA GLU 104 HA GLU 104 -7.422 -12.369 -0.774 853 HB2 GLU 104 HB2 GLU 104 -4.676 -11.122 -1.034 854 HB3 GLU 104 HB1 GLU 104 -5.386 -11.730 0.455 855 HG2 GLU 104 HG2 GLU 104 -4.785 -13.404 -1.971 856 HG3 GLU 104 HG1 GLU 104 -3.744 -13.264 -0.556 857 H ARG 105 HN ARG 105 -7.221 -9.781 -2.785 858 HA ARG 105 HA ARG 105 -7.819 -7.600 -2.753 859 HB2 ARG 105 HB2 ARG 105 -9.307 -8.350 -0.228 860 HB3 ARG 105 HB1 ARG 105 -9.620 -6.953 -1.250 861 HG2 ARG 105 HG2 ARG 105 -10.253 -8.439 -3.085 862 HG3 ARG 105 HG1 ARG 105 -9.947 -9.836 -2.053 863 HD2 ARG 105 HD2 ARG 105 -11.665 -8.977 -0.481 864 HD3 ARG 105 HD1 ARG 105 -12.025 -7.695 -1.638 865 HE ARG 105 HE ARG 105 -12.220 -10.469 -2.542 866 HH11 ARG 105 HH11 ARG 105 -13.807 -7.488 -1.642 867 HH12 ARG 105 HH12 ARG 105 -15.347 -7.964 -2.275 868 HH21 ARG 105 HH21 ARG 105 -14.250 -11.103 -3.379 869 HH22 ARG 105 HH22 ARG 105 -15.602 -10.024 -3.259 870 H THR 106 HN THR 106 -5.328 -8.217 -1.626 871 HA THR 106 HA THR 106 -5.144 -6.259 0.560 872 HB THR 106 HB THR 106 -3.506 -8.788 0.285 873 HG1 THR 106 HG1 THR 106 -5.911 -8.788 0.987 874 HG21 THR 106 HG21 THR 106 -2.798 -8.233 2.602 875 HG22 THR 106 HG22 THR 106 -3.654 -6.696 2.462 876 HG23 THR 106 HG23 THR 106 -2.276 -7.037 1.417 877 H LEU 107 HN LEU 107 -3.535 -4.779 0.419 878 HA LEU 107 HA LEU 107 -1.794 -4.938 -1.950 879 HB2 LEU 107 HB2 LEU 107 -3.528 -2.951 -1.260 880 HB3 LEU 107 HB1 LEU 107 -2.052 -2.370 -0.517 881 HG LEU 107 HG LEU 107 -2.415 -3.024 -3.444 882 HD11 LEU 107 HD11 LEU 107 -2.094 -0.385 -2.032 883 HD12 LEU 107 HD12 LEU 107 -3.579 -1.000 -2.760 884 HD13 LEU 107 HD13 LEU 107 -2.187 -0.626 -3.776 885 HD21 LEU 107 HD21 LEU 107 -0.199 -2.050 -3.735 886 HD22 LEU 107 HD22 LEU 107 -0.140 -3.482 -2.705 887 HD23 LEU 107 HD23 LEU 107 -0.043 -1.874 -1.987 888 H TYR 108 HN TYR 108 0.297 -5.254 -1.593 889 HA TYR 108 HA TYR 108 1.285 -5.014 1.164 890 HB2 TYR 108 HB2 TYR 108 2.370 -6.644 -1.143 891 HB3 TYR 108 HB1 TYR 108 3.013 -6.626 0.494 892 HD1 TYR 108 HD2 TYR 108 -0.125 -7.348 -1.376 893 HD2 TYR 108 HD1 TYR 108 2.282 -8.217 2.020 894 HE1 TYR 108 HE2 TYR 108 -1.648 -9.167 -0.774 895 HE2 TYR 108 HE1 TYR 108 0.762 -10.050 2.632 896 HH TYR 108 HH TYR 108 -1.581 -10.720 2.240 897 H ILE 109 HN ILE 109 2.794 -3.577 1.642 898 HA ILE 109 HA ILE 109 4.316 -2.342 -0.568 899 HB ILE 109 HB ILE 109 3.690 -1.101 2.112 900 HG12 ILE 109 HG12 ILE 109 1.628 -1.359 0.811 901 HG13 ILE 109 HG11 ILE 109 2.086 0.336 0.935 902 HG21 ILE 109 HG21 ILE 109 5.736 -0.277 1.081 903 HG22 ILE 109 HG22 ILE 109 4.489 0.970 1.104 904 HG23 ILE 109 HG23 ILE 109 4.847 0.106 -0.394 905 HD11 ILE 109 HD11 ILE 109 2.555 -1.436 -1.449 906 HD12 ILE 109 HD12 ILE 109 2.972 0.273 -1.324 907 HD13 ILE 109 HD13 ILE 109 1.281 -0.227 -1.288 908 H TYR 110 HN TYR 110 6.394 -2.930 -0.557 909 HA TYR 110 HA TYR 110 7.695 -3.385 2.050 910 HB2 TYR 110 HB2 TYR 110 8.333 -4.748 -0.572 911 HB3 TYR 110 HB1 TYR 110 9.196 -4.986 0.936 912 HD1 TYR 110 HD2 TYR 110 6.072 -5.665 -0.876 913 HD2 TYR 110 HD1 TYR 110 8.304 -6.393 2.671 914 HE1 TYR 110 HE2 TYR 110 4.569 -7.526 -0.317 915 HE2 TYR 110 HE1 TYR 110 6.806 -8.257 3.239 916 HH TYR 110 HH TYR 110 4.634 -9.092 2.762 917 H ILE 111 HN ILE 111 9.236 -1.959 2.461 918 HA ILE 111 HA ILE 111 10.689 -0.762 0.200 919 HB ILE 111 HB ILE 111 9.740 0.725 2.660 920 HG12 ILE 111 HG12 ILE 111 8.923 1.000 -0.244 921 HG13 ILE 111 HG11 ILE 111 7.949 0.256 1.017 922 HG21 ILE 111 HG21 ILE 111 11.930 1.491 1.900 923 HG22 ILE 111 HG22 ILE 111 10.692 2.708 1.582 924 HG23 ILE 111 HG23 ILE 111 11.299 1.701 0.266 925 HD11 ILE 111 HD11 ILE 111 7.818 2.390 2.178 926 HD12 ILE 111 HD12 ILE 111 7.204 2.509 0.528 927 HD13 ILE 111 HD13 ILE 111 8.805 3.135 0.920 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 15.293 16.712 -2.505 2 H2 GLY 1 HT2 GLY 1 15.842 15.969 -3.921 3 H3 GLY 1 HT3 GLY 1 14.492 15.352 -3.111 4 HA2 GLY 1 HA1 GLY 1 14.670 17.975 -4.478 5 HA3 GLY 1 HA2 GLY 1 13.795 16.565 -5.060 6 HA PRO 2 HA PRO 2 11.559 18.740 -1.294 7 HB2 PRO 2 HB2 PRO 2 11.387 21.416 -1.700 8 HB3 PRO 2 HB1 PRO 2 12.700 20.667 -0.783 9 HG2 PRO 2 HG2 PRO 2 12.665 21.600 -3.627 10 HG3 PRO 2 HG1 PRO 2 13.931 21.797 -2.400 11 HD2 PRO 2 HD2 PRO 2 14.046 19.903 -4.334 12 HD3 PRO 2 HD1 PRO 2 14.748 19.669 -2.722 13 H HIS 3 HN HIS 3 11.368 19.128 -4.678 14 HA HIS 3 HA HIS 3 8.442 19.219 -4.475 15 HB2 HIS 3 HB2 HIS 3 10.161 20.902 -6.291 16 HB3 HIS 3 HB1 HIS 3 8.475 20.566 -6.655 17 HD1 HIS 3 HD1 HIS 3 6.702 21.813 -5.298 18 HD2 HIS 3 HD2 HIS 3 10.599 22.668 -4.136 19 HE1 HIS 3 HE1 HIS 3 6.537 23.838 -3.816 20 HE2 HIS 3 HE2 HIS 3 8.887 24.242 -3.005 21 H MET 4 HN MET 4 10.344 17.038 -4.834 22 HA MET 4 HA MET 4 9.753 16.253 -7.607 23 HB2 MET 4 HB2 MET 4 12.127 16.288 -7.150 24 HB3 MET 4 HB1 MET 4 11.906 15.290 -5.721 25 HG2 MET 4 HG2 MET 4 12.809 14.043 -7.632 26 HG3 MET 4 HG1 MET 4 11.264 13.407 -7.073 27 HE1 MET 4 HE1 MET 4 13.128 15.453 -9.844 28 HE2 MET 4 HE2 MET 4 11.927 16.623 -9.298 29 HE3 MET 4 HE3 MET 4 11.805 15.922 -10.911 30 H SER 5 HN SER 5 8.530 14.524 -8.019 31 HA SER 5 HA SER 5 7.982 12.585 -5.919 32 HB2 SER 5 HB2 SER 5 5.685 13.875 -7.398 33 HB3 SER 5 HB1 SER 5 5.616 12.822 -5.983 34 HG SER 5 HG SER 5 6.553 15.492 -6.129 35 H VAL 6 HN VAL 6 7.630 10.558 -6.712 36 HA VAL 6 HA VAL 6 7.465 10.294 -9.643 37 HB VAL 6 HB VAL 6 8.823 8.227 -9.453 38 HG11 VAL 6 HG11 VAL 6 9.902 10.279 -10.130 39 HG12 VAL 6 HG12 VAL 6 10.991 9.344 -9.104 40 HG13 VAL 6 HG13 VAL 6 10.143 10.743 -8.445 41 HG21 VAL 6 HG21 VAL 6 10.173 7.919 -7.381 42 HG22 VAL 6 HG22 VAL 6 8.449 7.614 -7.168 43 HG23 VAL 6 HG23 VAL 6 9.155 9.126 -6.594 44 H GLN 7 HN GLN 7 6.324 8.510 -10.432 45 HA GLN 7 HA GLN 7 4.272 7.535 -8.607 46 HB2 GLN 7 HB2 GLN 7 3.041 6.871 -10.559 47 HB3 GLN 7 HB1 GLN 7 3.655 8.492 -10.840 48 HG2 GLN 7 HG2 GLN 7 4.911 5.975 -11.903 49 HG3 GLN 7 HG1 GLN 7 3.808 7.005 -12.808 50 HE21 GLN 7 HE21 GLN 7 7.002 6.667 -11.501 51 HE22 GLN 7 HE22 GLN 7 7.713 8.006 -12.348 52 H ILE 8 HN ILE 8 4.000 5.383 -8.073 53 HA ILE 8 HA ILE 8 6.199 3.615 -8.918 54 HB ILE 8 HB ILE 8 4.485 3.058 -6.522 55 HG12 ILE 8 HG12 ILE 8 5.323 5.343 -6.184 56 HG13 ILE 8 HG11 ILE 8 6.103 4.214 -5.085 57 HG21 ILE 8 HG21 ILE 8 6.483 1.856 -5.776 58 HG22 ILE 8 HG22 ILE 8 7.342 2.381 -7.223 59 HG23 ILE 8 HG23 ILE 8 5.954 1.300 -7.363 60 HD11 ILE 8 HD11 ILE 8 8.071 4.184 -6.527 61 HD12 ILE 8 HD12 ILE 8 7.688 5.809 -5.962 62 HD13 ILE 8 HD13 ILE 8 7.287 5.332 -7.612 63 HA PRO 9 HA PRO 9 2.899 1.396 -11.006 64 HB2 PRO 9 HB2 PRO 9 4.475 -0.600 -11.977 65 HB3 PRO 9 HB1 PRO 9 4.342 0.990 -12.735 66 HG2 PRO 9 HG2 PRO 9 6.471 -0.079 -10.931 67 HG3 PRO 9 HG1 PRO 9 6.631 0.931 -12.379 68 HD2 PRO 9 HD2 PRO 9 6.788 1.935 -9.865 69 HD3 PRO 9 HD1 PRO 9 6.154 2.871 -11.234 70 H VAL 10 HN VAL 10 1.546 0.020 -10.091 71 HA VAL 10 HA VAL 10 2.587 -1.854 -8.084 72 HB VAL 10 HB VAL 10 0.987 -0.403 -7.079 73 HG11 VAL 10 HG11 VAL 10 -0.872 -1.092 -9.348 74 HG12 VAL 10 HG12 VAL 10 -0.095 0.464 -9.055 75 HG13 VAL 10 HG13 VAL 10 -1.304 -0.142 -7.926 76 HG21 VAL 10 HG21 VAL 10 -0.716 -1.930 -6.307 77 HG22 VAL 10 HG22 VAL 10 0.806 -2.804 -6.491 78 HG23 VAL 10 HG23 VAL 10 -0.460 -2.976 -7.704 79 H VAL 11 HN VAL 11 2.346 -3.981 -8.304 80 HA VAL 11 HA VAL 11 1.319 -5.014 -10.784 81 HB VAL 11 HB VAL 11 2.499 -6.886 -10.331 82 HG11 VAL 11 HG11 VAL 11 4.096 -5.077 -10.256 83 HG12 VAL 11 HG12 VAL 11 4.606 -6.416 -9.228 84 HG13 VAL 11 HG13 VAL 11 3.892 -4.973 -8.508 85 HG21 VAL 11 HG21 VAL 11 1.103 -7.330 -8.267 86 HG22 VAL 11 HG22 VAL 11 2.450 -6.615 -7.382 87 HG23 VAL 11 HG23 VAL 11 2.703 -8.056 -8.363 88 H GLU 12 HN GLU 12 -0.447 -6.463 -10.942 89 HA GLU 12 HA GLU 12 -1.847 -6.939 -8.404 90 HB2 GLU 12 HB2 GLU 12 -3.013 -6.689 -11.173 91 HB3 GLU 12 HB1 GLU 12 -3.910 -7.323 -9.795 92 HG2 GLU 12 HG2 GLU 12 -3.341 -5.161 -8.612 93 HG3 GLU 12 HG1 GLU 12 -2.807 -4.563 -10.178 94 H VAL 13 HN VAL 13 -0.905 -8.753 -7.792 95 HA VAL 13 HA VAL 13 -0.966 -11.033 -9.663 96 HB VAL 13 HB VAL 13 0.872 -12.009 -8.264 97 HG11 VAL 13 HG11 VAL 13 2.635 -10.582 -9.223 98 HG12 VAL 13 HG12 VAL 13 1.412 -9.380 -9.630 99 HG13 VAL 13 HG13 VAL 13 1.368 -10.975 -10.383 100 HG21 VAL 13 HG21 VAL 13 0.995 -9.230 -7.084 101 HG22 VAL 13 HG22 VAL 13 2.178 -10.517 -6.829 102 HG23 VAL 13 HG23 VAL 13 0.529 -10.701 -6.226 103 H ASP 14 HN ASP 14 -0.526 -13.107 -7.995 104 HA ASP 14 HA ASP 14 -3.005 -13.165 -6.427 105 HB2 ASP 14 HB2 ASP 14 -2.672 -14.786 -8.345 106 HB3 ASP 14 HB1 ASP 14 -1.374 -15.515 -7.410 107 H GLU 15 HN GLU 15 0.429 -13.420 -6.269 108 HA GLU 15 HA GLU 15 0.454 -13.109 -3.455 109 HB2 GLU 15 HB2 GLU 15 1.558 -15.204 -2.834 110 HB3 GLU 15 HB1 GLU 15 -0.052 -15.492 -3.476 111 HG2 GLU 15 HG2 GLU 15 0.934 -16.116 -5.633 112 HG3 GLU 15 HG1 GLU 15 2.542 -15.880 -4.946 113 H LEU 16 HN LEU 16 2.687 -12.955 -2.608 114 HA LEU 16 HA LEU 16 4.429 -11.764 -4.567 115 HB2 LEU 16 HB2 LEU 16 4.985 -12.297 -1.648 116 HB3 LEU 16 HB1 LEU 16 5.881 -11.227 -2.700 117 HG LEU 16 HG LEU 16 4.664 -9.662 -1.644 118 HD11 LEU 16 HD11 LEU 16 2.658 -9.013 -2.841 119 HD12 LEU 16 HD12 LEU 16 2.586 -10.606 -3.595 120 HD13 LEU 16 HD13 LEU 16 3.931 -9.518 -3.954 121 HD21 LEU 16 HD21 LEU 16 3.680 -11.169 -0.059 122 HD22 LEU 16 HD22 LEU 16 2.479 -11.678 -1.246 123 HD23 LEU 16 HD23 LEU 16 2.467 -10.024 -0.631 124 HA PRO 17 HA PRO 17 7.044 -15.279 -5.246 125 HB2 PRO 17 HB2 PRO 17 9.336 -14.009 -5.944 126 HB3 PRO 17 HB1 PRO 17 7.936 -14.118 -7.011 127 HG2 PRO 17 HG2 PRO 17 8.855 -11.847 -5.320 128 HG3 PRO 17 HG1 PRO 17 8.152 -11.822 -6.944 129 HD2 PRO 17 HD2 PRO 17 6.756 -11.245 -4.658 130 HD3 PRO 17 HD1 PRO 17 6.007 -11.858 -6.143 131 H GLU 18 HN GLU 18 9.333 -16.053 -4.626 132 HA GLU 18 HA GLU 18 9.476 -16.153 -1.827 133 HB2 GLU 18 HB2 GLU 18 11.622 -17.310 -2.126 134 HB3 GLU 18 HB1 GLU 18 10.385 -17.949 -3.197 135 HG2 GLU 18 HG2 GLU 18 12.177 -15.828 -4.242 136 HG3 GLU 18 HG1 GLU 18 12.835 -17.447 -4.025 137 H GLY 19 HN GLY 19 10.903 -15.253 -0.358 138 HA2 GLY 19 HA2 GLY 19 12.731 -13.821 0.227 139 HA3 GLY 19 HA1 GLY 19 12.536 -13.005 -1.320 140 H TYR 20 HN TYR 20 9.521 -13.225 -0.732 141 HA TYR 20 HA TYR 20 9.380 -10.734 0.790 142 HB2 TYR 20 HB2 TYR 20 7.477 -12.124 -1.077 143 HB3 TYR 20 HB1 TYR 20 6.953 -10.797 -0.041 144 HD1 TYR 20 HD1 TYR 20 7.924 -8.555 -0.328 145 HD2 TYR 20 HD2 TYR 20 8.785 -11.722 -3.030 146 HE1 TYR 20 HE1 TYR 20 8.752 -6.921 -1.953 147 HE2 TYR 20 HE2 TYR 20 9.618 -10.100 -4.670 148 HH TYR 20 HH TYR 20 9.484 -7.785 -5.218 149 H ASP 21 HN ASP 21 7.823 -10.443 2.439 150 HA ASP 21 HA ASP 21 7.220 -12.944 3.866 151 HB2 ASP 21 HB2 ASP 21 8.812 -11.364 4.992 152 HB3 ASP 21 HB1 ASP 21 7.505 -10.186 5.071 153 H ARG 22 HN ARG 22 5.209 -13.430 3.276 154 HA ARG 22 HA ARG 22 3.158 -11.344 3.310 155 HB2 ARG 22 HB2 ARG 22 3.250 -12.641 1.274 156 HB3 ARG 22 HB1 ARG 22 3.180 -14.143 2.180 157 HG2 ARG 22 HG2 ARG 22 0.930 -13.924 2.628 158 HG3 ARG 22 HG1 ARG 22 0.947 -12.175 2.392 159 HD2 ARG 22 HD2 ARG 22 1.157 -12.417 0.046 160 HD3 ARG 22 HD1 ARG 22 1.429 -14.149 0.173 161 HE ARG 22 HE ARG 22 -1.127 -12.807 0.773 162 HH11 ARG 22 HH11 ARG 22 0.696 -15.555 -0.406 163 HH12 ARG 22 HH12 ARG 22 -0.709 -16.474 -0.833 164 HH21 ARG 22 HH21 ARG 22 -3.002 -14.043 0.257 165 HH22 ARG 22 HH22 ARG 22 -2.812 -15.608 -0.467 166 H SER 23 HN SER 23 1.287 -11.561 4.545 167 HA SER 23 HA SER 23 1.400 -13.599 6.655 168 HB2 SER 23 HB2 SER 23 0.898 -10.640 7.070 169 HB3 SER 23 HB1 SER 23 0.787 -11.878 8.321 170 HG SER 23 HG SER 23 3.097 -12.330 7.470 171 H2 PRO 24 HT1 PRO 24 -24.149 14.401 2.085 172 H3 PRO 24 HT2 PRO 24 -22.989 15.462 2.517 173 HA PRO 24 HA PRO 24 -23.223 16.366 0.644 174 HB2 PRO 24 HB2 PRO 24 -22.323 14.274 -1.127 175 HB3 PRO 24 HB1 PRO 24 -21.467 15.732 -0.608 176 HG2 PRO 24 HG2 PRO 24 -20.773 13.211 0.188 177 HG3 PRO 24 HG1 PRO 24 -20.453 14.672 1.142 178 HD2 PRO 24 HD2 PRO 24 -22.669 12.664 1.433 179 HD3 PRO 24 HD1 PRO 24 -21.681 13.431 2.690 180 H HIS 25 HN HIS 25 -25.615 15.618 1.299 181 HA HIS 25 HA HIS 25 -27.712 15.258 0.549 182 HB2 HIS 25 HB2 HIS 25 -26.350 15.069 -2.130 183 HB3 HIS 25 HB1 HIS 25 -28.092 14.929 -1.928 184 HD1 HIS 25 HD1 HIS 25 -29.406 17.069 -1.709 185 HD2 HIS 25 HD2 HIS 25 -25.300 17.666 -1.480 186 HE1 HIS 25 HE1 HIS 25 -29.080 19.561 -1.777 187 HE2 HIS 25 HE2 HIS 25 -26.607 19.895 -1.437 188 H GLU 26 HN GLU 26 -25.672 13.002 -1.317 189 HA GLU 26 HA GLU 26 -27.436 10.840 -0.422 190 HB2 GLU 26 HB2 GLU 26 -26.990 11.017 -2.849 191 HB3 GLU 26 HB1 GLU 26 -25.272 10.816 -2.538 192 HG2 GLU 26 HG2 GLU 26 -26.282 8.745 -3.313 193 HG3 GLU 26 HG1 GLU 26 -25.673 8.582 -1.667 194 H GLN 27 HN GLN 27 -26.762 9.298 0.933 195 HA GLN 27 HA GLN 27 -24.173 9.656 2.206 196 HB2 GLN 27 HB2 GLN 27 -24.987 8.024 3.849 197 HB3 GLN 27 HB1 GLN 27 -26.141 9.333 3.634 198 HG2 GLN 27 HG2 GLN 27 -27.489 7.902 2.180 199 HG3 GLN 27 HG1 GLN 27 -26.336 6.589 2.409 200 HE21 GLN 27 HE21 GLN 27 -29.170 6.710 3.041 201 HE22 GLN 27 HE22 GLN 27 -29.300 6.377 4.732 202 H GLN 28 HN GLN 28 -22.748 7.802 2.551 203 HA GLN 28 HA GLN 28 -22.970 5.828 0.389 204 HB2 GLN 28 HB2 GLN 28 -20.472 5.973 0.186 205 HB3 GLN 28 HB1 GLN 28 -21.341 7.392 -0.366 206 HG2 GLN 28 HG2 GLN 28 -20.929 8.364 1.926 207 HG3 GLN 28 HG1 GLN 28 -19.808 7.027 2.164 208 HE21 GLN 28 HE21 GLN 28 -20.256 8.545 -0.940 209 HE22 GLN 28 HE22 GLN 28 -18.720 9.331 -1.003 210 H GLU 29 HN GLU 29 -21.847 3.906 0.722 211 HA GLU 29 HA GLU 29 -20.789 3.238 3.310 212 HB2 GLU 29 HB2 GLU 29 -22.381 1.441 3.745 213 HB3 GLU 29 HB1 GLU 29 -23.202 2.990 3.630 214 HG2 GLU 29 HG2 GLU 29 -23.948 2.479 1.396 215 HG3 GLU 29 HG1 GLU 29 -23.063 0.955 1.427 216 H ASP 30 HN ASP 30 -21.106 2.857 0.009 217 HA ASP 30 HA ASP 30 -19.879 0.274 -0.278 218 HB2 ASP 30 HB2 ASP 30 -19.761 0.824 -2.648 219 HB3 ASP 30 HB1 ASP 30 -21.350 1.256 -2.027 220 H VAL 31 HN VAL 31 -18.854 3.151 0.792 221 HA VAL 31 HA VAL 31 -16.384 3.669 -0.319 222 HB VAL 31 HB VAL 31 -17.153 3.956 2.590 223 HG11 VAL 31 HG11 VAL 31 -15.095 5.395 0.924 224 HG12 VAL 31 HG12 VAL 31 -14.779 4.258 2.234 225 HG13 VAL 31 HG13 VAL 31 -15.538 5.814 2.579 226 HG21 VAL 31 HG21 VAL 31 -17.849 6.242 1.969 227 HG22 VAL 31 HG22 VAL 31 -18.837 5.001 1.203 228 HG23 VAL 31 HG23 VAL 31 -17.594 5.836 0.273 229 HA PRO 32 HA PRO 32 -14.327 -0.114 0.776 230 HB2 PRO 32 HB2 PRO 32 -11.851 0.669 -0.099 231 HB3 PRO 32 HB1 PRO 32 -13.119 0.043 -1.160 232 HG2 PRO 32 HG2 PRO 32 -12.280 2.862 -0.660 233 HG3 PRO 32 HG1 PRO 32 -12.798 2.095 -2.171 234 HD2 PRO 32 HD2 PRO 32 -14.415 3.697 -0.687 235 HD3 PRO 32 HD1 PRO 32 -15.036 2.366 -1.682 236 H GLU 33 HN GLU 33 -13.579 -0.660 2.708 237 HA GLU 33 HA GLU 33 -12.206 1.366 4.296 238 HB2 GLU 33 HB2 GLU 33 -14.242 0.501 5.324 239 HB3 GLU 33 HB1 GLU 33 -13.635 -1.147 5.176 240 HG2 GLU 33 HG2 GLU 33 -11.997 -0.816 6.796 241 HG3 GLU 33 HG1 GLU 33 -12.135 0.938 6.713 242 H TYR 34 HN TYR 34 -10.148 1.183 3.835 243 HA TYR 34 HA TYR 34 -8.856 -1.382 3.572 244 HB2 TYR 34 HB2 TYR 34 -7.787 1.436 3.467 245 HB3 TYR 34 HB1 TYR 34 -6.804 -0.002 3.218 246 HD1 TYR 34 HD2 TYR 34 -7.345 -1.510 1.268 247 HD2 TYR 34 HD1 TYR 34 -9.046 2.364 1.701 248 HE1 TYR 34 HE2 TYR 34 -7.925 -1.505 -1.119 249 HE2 TYR 34 HE1 TYR 34 -9.632 2.381 -0.685 250 HH TYR 34 HH TYR 34 -8.956 1.300 -2.766 251 H GLU 35 HN GLU 35 -7.020 -1.979 4.830 252 HA GLU 35 HA GLU 35 -7.036 -0.906 7.568 253 HB2 GLU 35 HB2 GLU 35 -8.203 -3.119 7.320 254 HB3 GLU 35 HB1 GLU 35 -6.683 -3.802 6.768 255 HG2 GLU 35 HG2 GLU 35 -5.671 -3.209 8.935 256 HG3 GLU 35 HG1 GLU 35 -7.241 -2.620 9.474 257 H VAL 36 HN VAL 36 -5.134 0.050 7.870 258 HA VAL 36 HA VAL 36 -2.791 -0.803 6.360 259 HB VAL 36 HB VAL 36 -3.180 1.593 8.166 260 HG11 VAL 36 HG11 VAL 36 -1.126 2.447 7.140 261 HG12 VAL 36 HG12 VAL 36 -0.942 0.933 6.254 262 HG13 VAL 36 HG13 VAL 36 -0.841 0.942 8.015 263 HG21 VAL 36 HG21 VAL 36 -3.313 2.887 6.093 264 HG22 VAL 36 HG22 VAL 36 -4.610 1.695 6.196 265 HG23 VAL 36 HG23 VAL 36 -3.216 1.395 5.156 266 H LYS 37 HN LYS 37 -1.203 -1.976 7.222 267 HA LYS 37 HA LYS 37 -0.831 -1.932 10.143 268 HB2 LYS 37 HB2 LYS 37 -0.500 -4.390 8.405 269 HB3 LYS 37 HB1 LYS 37 -0.278 -4.304 10.145 270 HG2 LYS 37 HG2 LYS 37 -2.362 -5.251 9.990 271 HG3 LYS 37 HG1 LYS 37 -2.769 -3.541 10.148 272 HD2 LYS 37 HD2 LYS 37 -4.054 -3.979 8.337 273 HD3 LYS 37 HD1 LYS 37 -2.546 -3.700 7.481 274 HE2 LYS 37 HE2 LYS 37 -3.574 -5.713 6.654 275 HE3 LYS 37 HE1 LYS 37 -2.103 -6.124 7.534 276 HZ1 LYS 37 HZ1 LYS 37 -3.968 -7.597 8.059 277 HZ2 LYS 37 HZ2 LYS 37 -4.851 -6.282 8.660 278 HZ3 LYS 37 HZ3 LYS 37 -3.418 -6.768 9.423 279 H MET 38 HN MET 38 1.134 -1.232 10.654 280 HA MET 38 HA MET 38 3.180 -1.217 8.536 281 HB2 MET 38 HB2 MET 38 2.230 0.882 9.896 282 HB3 MET 38 HB1 MET 38 3.512 0.392 10.999 283 HG2 MET 38 HG2 MET 38 5.174 0.737 9.419 284 HG3 MET 38 HG1 MET 38 4.032 0.760 8.084 285 HE1 MET 38 HE1 MET 38 4.555 4.336 7.426 286 HE2 MET 38 HE2 MET 38 3.954 2.776 6.851 287 HE3 MET 38 HE3 MET 38 5.625 2.934 7.399 288 H LYS 39 HN LYS 39 5.248 -2.017 8.920 289 HA LYS 39 HA LYS 39 5.818 -3.205 11.525 290 HB2 LYS 39 HB2 LYS 39 4.424 -4.777 9.958 291 HB3 LYS 39 HB1 LYS 39 5.955 -5.005 9.131 292 HG2 LYS 39 HG2 LYS 39 5.779 -5.413 12.081 293 HG3 LYS 39 HG1 LYS 39 5.204 -6.659 10.978 294 HD2 LYS 39 HD2 LYS 39 7.432 -6.650 9.887 295 HD3 LYS 39 HD1 LYS 39 7.984 -5.502 11.110 296 HE2 LYS 39 HE2 LYS 39 8.601 -7.843 11.627 297 HE3 LYS 39 HE1 LYS 39 7.584 -7.106 12.863 298 HZ1 LYS 39 HZ1 LYS 39 6.889 -9.369 12.328 299 HZ2 LYS 39 HZ2 LYS 39 6.620 -8.925 10.721 300 HZ3 LYS 39 HZ3 LYS 39 5.676 -8.253 11.954 301 H ARG 40 HN ARG 40 7.978 -3.401 11.928 302 HA ARG 40 HA ARG 40 9.749 -2.259 9.893 303 HB2 ARG 40 HB2 ARG 40 9.939 -2.483 12.887 304 HB3 ARG 40 HB1 ARG 40 11.355 -2.123 11.911 305 HG2 ARG 40 HG2 ARG 40 10.445 -0.077 12.754 306 HG3 ARG 40 HG1 ARG 40 10.180 -0.142 11.012 307 HD2 ARG 40 HD2 ARG 40 7.872 -0.971 11.472 308 HD3 ARG 40 HD1 ARG 40 8.165 -0.678 13.185 309 HE ARG 40 HE ARG 40 8.727 1.662 11.733 310 HH11 ARG 40 HH11 ARG 40 6.027 -0.290 12.790 311 HH12 ARG 40 HH12 ARG 40 4.893 1.023 12.753 312 HH21 ARG 40 HH21 ARG 40 7.244 3.392 11.660 313 HH22 ARG 40 HH22 ARG 40 5.584 3.119 12.095 314 H PHE 41 HN PHE 41 11.408 -3.325 9.031 315 HA PHE 41 HA PHE 41 11.980 -6.036 10.038 316 HB2 PHE 41 HB2 PHE 41 11.979 -4.941 7.234 317 HB3 PHE 41 HB1 PHE 41 12.904 -6.379 7.650 318 HD1 PHE 41 HD2 PHE 41 9.463 -4.987 7.936 319 HD2 PHE 41 HD1 PHE 41 11.909 -8.435 7.499 320 HE1 PHE 41 HE2 PHE 41 7.452 -6.370 7.669 321 HE2 PHE 41 HE1 PHE 41 9.900 -9.835 7.238 322 HZ PHE 41 HZ PHE 41 7.666 -8.800 7.319 323 H LYS 42 HN LYS 42 14.103 -6.653 10.282 324 HA LYS 42 HA LYS 42 16.114 -4.528 9.958 325 HB2 LYS 42 HB2 LYS 42 15.886 -6.430 12.301 326 HB3 LYS 42 HB1 LYS 42 17.127 -5.205 12.083 327 HG2 LYS 42 HG2 LYS 42 14.185 -4.647 12.412 328 HG3 LYS 42 HG1 LYS 42 15.393 -4.535 13.690 329 HD2 LYS 42 HD2 LYS 42 16.566 -2.798 12.413 330 HD3 LYS 42 HD1 LYS 42 15.340 -2.911 11.149 331 HE2 LYS 42 HE2 LYS 42 13.628 -2.208 12.724 332 HE3 LYS 42 HE1 LYS 42 14.823 -2.140 14.017 333 HZ1 LYS 42 HZ1 LYS 42 14.427 0.053 13.162 334 HZ2 LYS 42 HZ2 LYS 42 14.759 -0.447 11.582 335 HZ3 LYS 42 HZ3 LYS 42 15.995 -0.419 12.734 336 H GLY 43 HN GLY 43 17.215 -5.323 8.239 337 HA2 GLY 43 HA2 GLY 43 19.125 -6.589 7.592 338 HA3 GLY 43 HA1 GLY 43 18.620 -7.860 8.694 339 H ALA 44 HN ALA 44 16.456 -6.292 6.435 340 HA ALA 44 HA ALA 44 16.468 -8.723 4.775 341 HB1 ALA 44 HB1 ALA 44 14.032 -7.152 5.614 342 HB2 ALA 44 HB2 ALA 44 14.500 -8.736 6.230 343 HB3 ALA 44 HB3 ALA 44 14.049 -8.548 4.537 344 H ALA 45 HN ALA 45 15.294 -8.267 2.628 345 HA ALA 45 HA ALA 45 16.598 -6.240 1.224 346 HB1 ALA 45 HB1 ALA 45 15.060 -6.733 -0.598 347 HB2 ALA 45 HB2 ALA 45 14.001 -7.597 0.517 348 HB3 ALA 45 HB3 ALA 45 15.612 -8.221 0.171 349 H TYR 46 HN TYR 46 13.738 -6.194 3.119 350 HA TYR 46 HA TYR 46 13.231 -3.427 2.341 351 HB2 TYR 46 HB2 TYR 46 10.818 -4.090 3.237 352 HB3 TYR 46 HB1 TYR 46 11.280 -4.365 1.561 353 HD1 TYR 46 HD1 TYR 46 10.988 -6.031 4.864 354 HD2 TYR 46 HD2 TYR 46 11.268 -6.521 0.650 355 HE1 TYR 46 HE1 TYR 46 10.472 -8.418 5.113 356 HE2 TYR 46 HE2 TYR 46 10.752 -8.912 0.887 357 HH TYR 46 HH TYR 46 9.730 -10.272 3.927 358 H LYS 47 HN LYS 47 12.760 -2.030 3.996 359 HA LYS 47 HA LYS 47 13.718 -2.976 6.608 360 HB2 LYS 47 HB2 LYS 47 13.617 -0.212 5.379 361 HB3 LYS 47 HB1 LYS 47 14.053 -0.508 7.051 362 HG2 LYS 47 HG2 LYS 47 16.054 -0.201 5.781 363 HG3 LYS 47 HG1 LYS 47 15.955 -1.890 6.269 364 HD2 LYS 47 HD2 LYS 47 16.697 -1.780 3.991 365 HD3 LYS 47 HD1 LYS 47 15.064 -2.441 4.024 366 HE2 LYS 47 HE2 LYS 47 14.249 -0.098 3.537 367 HE3 LYS 47 HE1 LYS 47 15.931 0.331 3.234 368 HZ1 LYS 47 HZ1 LYS 47 14.281 -1.651 1.769 369 HZ2 LYS 47 HZ2 LYS 47 15.956 -1.505 1.566 370 HZ3 LYS 47 HZ3 LYS 47 14.938 -0.212 1.163 371 H LEU 48 HN LEU 48 11.052 -1.750 4.893 372 HA LEU 48 HA LEU 48 9.449 -1.714 7.346 373 HB2 LEU 48 HB2 LEU 48 10.278 0.601 6.176 374 HB3 LEU 48 HB1 LEU 48 8.777 0.325 5.316 375 HG LEU 48 HG LEU 48 8.466 1.817 7.234 376 HD11 LEU 48 HD11 LEU 48 6.597 0.683 8.274 377 HD12 LEU 48 HD12 LEU 48 7.157 -0.862 7.640 378 HD13 LEU 48 HD13 LEU 48 6.610 0.400 6.537 379 HD21 LEU 48 HD21 LEU 48 10.248 0.904 8.651 380 HD22 LEU 48 HD22 LEU 48 9.277 -0.547 8.910 381 HD23 LEU 48 HD23 LEU 48 8.705 1.012 9.500 382 H ARG 49 HN ARG 49 7.574 -2.774 7.111 383 HA ARG 49 HA ARG 49 6.612 -3.296 4.374 384 HB2 ARG 49 HB2 ARG 49 7.454 -5.324 5.621 385 HB3 ARG 49 HB1 ARG 49 6.158 -5.063 6.781 386 HG2 ARG 49 HG2 ARG 49 4.548 -5.229 4.853 387 HG3 ARG 49 HG1 ARG 49 5.913 -5.767 3.871 388 HD2 ARG 49 HD2 ARG 49 4.790 -7.716 4.641 389 HD3 ARG 49 HD1 ARG 49 6.289 -7.582 5.558 390 HE ARG 49 HE ARG 49 4.394 -6.313 7.089 391 HH11 ARG 49 HH11 ARG 49 4.761 -9.529 5.734 392 HH12 ARG 49 HH12 ARG 49 3.875 -10.300 7.014 393 HH21 ARG 49 HH21 ARG 49 3.230 -7.335 8.762 394 HH22 ARG 49 HH22 ARG 49 3.021 -9.054 8.737 395 H ILE 50 HN ILE 50 4.623 -2.580 3.934 396 HA ILE 50 HA ILE 50 2.872 -1.915 6.215 397 HB ILE 50 HB ILE 50 2.919 -0.339 3.629 398 HG12 ILE 50 HG12 ILE 50 3.863 1.519 5.101 399 HG13 ILE 50 HG11 ILE 50 4.256 0.270 6.268 400 HG21 ILE 50 HG21 ILE 50 1.632 0.201 6.298 401 HG22 ILE 50 HG22 ILE 50 0.803 -0.339 4.838 402 HG23 ILE 50 HG23 ILE 50 1.563 1.254 4.885 403 HD11 ILE 50 HD11 ILE 50 5.834 -0.708 4.837 404 HD12 ILE 50 HD12 ILE 50 6.117 1.034 4.768 405 HD13 ILE 50 HD13 ILE 50 5.270 0.226 3.448 406 H LEU 51 HN LEU 51 0.909 -2.820 6.125 407 HA LEU 51 HA LEU 51 0.177 -4.192 3.631 408 HB2 LEU 51 HB2 LEU 51 0.081 -4.963 6.471 409 HB3 LEU 51 HB1 LEU 51 -1.368 -5.345 5.563 410 HG LEU 51 HG LEU 51 0.195 -7.235 5.663 411 HD11 LEU 51 HD11 LEU 51 0.178 -7.766 3.301 412 HD12 LEU 51 HD12 LEU 51 -0.084 -6.070 2.902 413 HD13 LEU 51 HD13 LEU 51 -1.327 -6.974 3.766 414 HD21 LEU 51 HD21 LEU 51 2.293 -7.146 4.398 415 HD22 LEU 51 HD22 LEU 51 2.295 -6.023 5.757 416 HD23 LEU 51 HD23 LEU 51 2.044 -5.422 4.118 417 H ILE 52 HN ILE 52 -1.491 -3.341 2.595 418 HA ILE 52 HA ILE 52 -3.595 -2.049 4.208 419 HB ILE 52 HB ILE 52 -2.784 -1.174 1.429 420 HG12 ILE 52 HG12 ILE 52 -2.203 0.982 2.896 421 HG13 ILE 52 HG11 ILE 52 -1.909 -0.245 4.126 422 HG21 ILE 52 HG21 ILE 52 -4.272 0.707 1.840 423 HG22 ILE 52 HG22 ILE 52 -4.659 0.062 3.435 424 HG23 ILE 52 HG23 ILE 52 -5.136 -0.827 1.988 425 HD11 ILE 52 HD11 ILE 52 0.126 0.370 2.941 426 HD12 ILE 52 HD12 ILE 52 -0.603 -0.142 1.419 427 HD13 ILE 52 HD13 ILE 52 -0.288 -1.326 2.690 428 H GLU 53 HN GLU 53 -5.152 -3.575 4.185 429 HA GLU 53 HA GLU 53 -5.855 -4.713 1.566 430 HB2 GLU 53 HB2 GLU 53 -6.800 -6.623 2.710 431 HB3 GLU 53 HB1 GLU 53 -5.131 -6.399 3.204 432 HG2 GLU 53 HG2 GLU 53 -5.936 -5.279 5.241 433 HG3 GLU 53 HG1 GLU 53 -7.585 -5.663 4.762 434 H ASN 54 HN ASN 54 -8.075 -5.074 1.141 435 HA ASN 54 HA ASN 54 -9.671 -2.838 2.159 436 HB2 ASN 54 HB2 ASN 54 -9.205 -3.151 -0.332 437 HB3 ASN 54 HB1 ASN 54 -10.273 -4.546 -0.234 438 HD21 ASN 54 HD21 ASN 54 -10.856 -1.711 1.682 439 HD22 ASN 54 HD22 ASN 54 -12.247 -1.184 0.811 440 H LYS 55 HN LYS 55 -10.985 -3.364 3.759 441 HA LYS 55 HA LYS 55 -12.628 -5.763 3.464 442 HB2 LYS 55 HB2 LYS 55 -12.393 -5.919 6.058 443 HB3 LYS 55 HB1 LYS 55 -11.142 -6.592 5.029 444 HG2 LYS 55 HG2 LYS 55 -9.721 -5.443 6.317 445 HG3 LYS 55 HG1 LYS 55 -10.248 -4.032 5.398 446 HD2 LYS 55 HD2 LYS 55 -10.331 -3.564 7.773 447 HD3 LYS 55 HD1 LYS 55 -11.962 -3.584 7.101 448 HE2 LYS 55 HE2 LYS 55 -11.928 -4.724 9.234 449 HE3 LYS 55 HE1 LYS 55 -12.261 -5.870 7.943 450 HZ1 LYS 55 HZ1 LYS 55 -9.594 -5.464 9.202 451 HZ2 LYS 55 HZ2 LYS 55 -9.995 -6.632 8.040 452 HZ3 LYS 55 HZ3 LYS 55 -10.669 -6.716 9.584 453 H ALA 56 HN ALA 56 -14.360 -4.525 2.823 454 HA ALA 56 HA ALA 56 -15.640 -3.029 5.013 455 HB1 ALA 56 HB1 ALA 56 -16.680 -1.588 3.189 456 HB2 ALA 56 HB2 ALA 56 -15.449 -2.248 2.113 457 HB3 ALA 56 HB3 ALA 56 -14.971 -1.317 3.534 458 HA PRO 57 HA PRO 57 -19.289 -5.470 4.510 459 HB2 PRO 57 HB2 PRO 57 -21.231 -3.561 3.968 460 HB3 PRO 57 HB1 PRO 57 -20.702 -4.055 5.578 461 HG2 PRO 57 HG2 PRO 57 -19.860 -1.699 3.943 462 HG3 PRO 57 HG1 PRO 57 -20.164 -1.804 5.688 463 HD2 PRO 57 HD2 PRO 57 -17.677 -1.765 4.755 464 HD3 PRO 57 HD1 PRO 57 -18.116 -2.831 6.095 465 H ASN 58 HN ASN 58 -19.156 -2.852 2.173 466 HA ASN 58 HA ASN 58 -19.434 -4.740 0.013 467 HB2 ASN 58 HB2 ASN 58 -21.174 -3.151 -1.040 468 HB3 ASN 58 HB1 ASN 58 -21.681 -4.292 0.200 469 HD21 ASN 58 HD21 ASN 58 -21.798 -3.550 2.345 470 HD22 ASN 58 HD22 ASN 58 -22.202 -1.927 2.678 471 H SER 59 HN SER 59 -17.207 -4.116 -0.106 472 HA SER 59 HA SER 59 -16.358 -1.444 -0.461 473 HB2 SER 59 HB2 SER 59 -14.850 -3.877 -1.403 474 HB3 SER 59 HB1 SER 59 -14.205 -2.370 -0.756 475 HG SER 59 HG SER 59 -14.978 -4.619 0.548 476 H LYS 60 HN LYS 60 -16.393 -0.194 -2.179 477 HA LYS 60 HA LYS 60 -16.257 -1.419 -4.844 478 HB2 LYS 60 HB2 LYS 60 -18.056 0.822 -3.936 479 HB3 LYS 60 HB1 LYS 60 -17.743 0.470 -5.633 480 HG2 LYS 60 HG2 LYS 60 -18.625 -1.840 -5.207 481 HG3 LYS 60 HG1 LYS 60 -19.119 -1.281 -3.608 482 HD2 LYS 60 HD2 LYS 60 -21.000 -1.148 -5.105 483 HD3 LYS 60 HD1 LYS 60 -20.474 0.486 -4.704 484 HE2 LYS 60 HE2 LYS 60 -19.344 0.696 -6.815 485 HE3 LYS 60 HE1 LYS 60 -19.669 -0.991 -7.204 486 HZ1 LYS 60 HZ1 LYS 60 -21.701 1.149 -6.890 487 HZ2 LYS 60 HZ2 LYS 60 -22.037 -0.474 -7.224 488 HZ3 LYS 60 HZ3 LYS 60 -21.195 0.463 -8.349 489 HA PRO 61 HA PRO 61 -12.943 1.777 -4.139 490 HB2 PRO 61 HB2 PRO 61 -10.900 0.302 -5.123 491 HB3 PRO 61 HB1 PRO 61 -11.449 0.168 -3.448 492 HG2 PRO 61 HG2 PRO 61 -12.087 -1.581 -5.796 493 HG3 PRO 61 HG1 PRO 61 -11.660 -2.048 -4.139 494 HD2 PRO 61 HD2 PRO 61 -14.217 -2.015 -5.025 495 HD3 PRO 61 HD1 PRO 61 -13.786 -1.650 -3.344 496 H ASP 62 HN ASP 62 -11.627 2.904 -5.682 497 HA ASP 62 HA ASP 62 -12.764 2.894 -8.353 498 HB2 ASP 62 HB2 ASP 62 -10.770 4.709 -6.991 499 HB3 ASP 62 HB1 ASP 62 -11.221 4.879 -8.682 500 H ARG 63 HN ARG 63 -9.391 3.324 -7.370 501 HA ARG 63 HA ARG 63 -8.509 0.995 -8.806 502 HB2 ARG 63 HB2 ARG 63 -7.085 2.299 -10.381 503 HB3 ARG 63 HB1 ARG 63 -8.807 2.471 -10.685 504 HG2 ARG 63 HG2 ARG 63 -8.707 4.606 -9.352 505 HG3 ARG 63 HG1 ARG 63 -6.949 4.452 -9.409 506 HD2 ARG 63 HD2 ARG 63 -8.740 4.498 -11.823 507 HD3 ARG 63 HD1 ARG 63 -7.898 5.908 -11.183 508 HE ARG 63 HE ARG 63 -5.931 4.047 -11.557 509 HH11 ARG 63 HH11 ARG 63 -8.364 5.481 -13.620 510 HH12 ARG 63 HH12 ARG 63 -7.401 5.362 -15.055 511 HH21 ARG 63 HH21 ARG 63 -4.647 3.901 -13.442 512 HH22 ARG 63 HH22 ARG 63 -5.284 4.461 -14.956 513 H PHE 64 HN PHE 64 -5.921 1.354 -9.053 514 HA PHE 64 HA PHE 64 -4.952 2.503 -6.526 515 HB2 PHE 64 HB2 PHE 64 -4.200 -0.144 -7.775 516 HB3 PHE 64 HB1 PHE 64 -3.254 0.629 -6.510 517 HD1 PHE 64 HD1 PHE 64 -4.250 0.977 -4.279 518 HD2 PHE 64 HD2 PHE 64 -6.169 -1.350 -7.277 519 HE1 PHE 64 HE1 PHE 64 -5.656 -0.077 -2.555 520 HE2 PHE 64 HE2 PHE 64 -7.584 -2.404 -5.562 521 HZ PHE 64 HZ PHE 64 -7.330 -1.766 -3.197 522 H SER 65 HN SER 65 -3.699 4.169 -7.023 523 HA SER 65 HA SER 65 -1.576 3.717 -8.983 524 HB2 SER 65 HB2 SER 65 -3.242 6.245 -8.869 525 HB3 SER 65 HB1 SER 65 -1.875 5.948 -9.943 526 HG SER 65 HG SER 65 -3.617 3.936 -10.191 527 HA PRO 66 HA PRO 66 -0.027 5.391 -4.995 528 HB2 PRO 66 HB2 PRO 66 1.978 3.619 -4.678 529 HB3 PRO 66 HB1 PRO 66 0.313 3.254 -4.212 530 HG2 PRO 66 HG2 PRO 66 1.825 2.421 -6.648 531 HG3 PRO 66 HG1 PRO 66 0.688 1.495 -5.660 532 HD2 PRO 66 HD2 PRO 66 0.043 2.681 -8.047 533 HD3 PRO 66 HD1 PRO 66 -1.131 2.316 -6.766 534 H SER 67 HN SER 67 1.791 6.624 -4.595 535 HA SER 67 HA SER 67 3.954 6.695 -6.512 536 HB2 SER 67 HB2 SER 67 2.261 9.170 -6.111 537 HB3 SER 67 HB1 SER 67 3.678 9.010 -7.146 538 HG SER 67 HG SER 67 1.925 7.105 -7.797 539 H TYR 68 HN TYR 68 5.791 7.649 -5.704 540 HA TYR 68 HA TYR 68 5.673 8.321 -2.849 541 HB2 TYR 68 HB2 TYR 68 7.113 6.423 -3.320 542 HB3 TYR 68 HB1 TYR 68 7.979 7.344 -4.544 543 HD1 TYR 68 HD2 TYR 68 7.092 7.607 -0.920 544 HD2 TYR 68 HD1 TYR 68 10.002 8.261 -3.951 545 HE1 TYR 68 HE2 TYR 68 8.677 8.393 0.782 546 HE2 TYR 68 HE1 TYR 68 11.595 9.051 -2.250 547 HH TYR 68 HH TYR 68 11.073 8.630 1.093 548 H ASN 69 HN ASN 69 5.645 10.400 -2.492 549 HA ASN 69 HA ASN 69 7.046 12.194 -4.317 550 HB2 ASN 69 HB2 ASN 69 5.925 13.950 -2.724 551 HB3 ASN 69 HB1 ASN 69 4.971 13.124 -3.947 552 HD21 ASN 69 HD21 ASN 69 5.591 13.501 -0.591 553 HD22 ASN 69 HD22 ASN 69 4.225 12.618 -0.018 554 H PHE 70 HN PHE 70 9.116 12.460 -3.916 555 HA PHE 70 HA PHE 70 10.435 11.916 -1.496 556 HB2 PHE 70 HB2 PHE 70 11.291 13.677 -3.805 557 HB3 PHE 70 HB1 PHE 70 12.348 13.176 -2.494 558 HD1 PHE 70 HD1 PHE 70 10.489 12.049 -5.453 559 HD2 PHE 70 HD2 PHE 70 13.301 10.995 -2.437 560 HE1 PHE 70 HE1 PHE 70 11.104 10.041 -6.730 561 HE2 PHE 70 HE2 PHE 70 13.917 8.981 -3.708 562 HZ PHE 70 HZ PHE 70 12.819 8.503 -5.860 563 H ALA 71 HN ALA 71 8.869 14.719 -2.736 564 HA ALA 71 HA ALA 71 9.935 16.790 -1.274 565 HB1 ALA 71 HB1 ALA 71 7.035 16.362 -1.978 566 HB2 ALA 71 HB2 ALA 71 8.261 17.040 -3.047 567 HB3 ALA 71 HB3 ALA 71 7.794 17.904 -1.582 568 H GLU 72 HN GLU 72 7.414 14.495 -0.311 569 HA GLU 72 HA GLU 72 7.607 15.549 2.434 570 HB2 GLU 72 HB2 GLU 72 5.310 13.880 1.496 571 HB3 GLU 72 HB1 GLU 72 5.362 15.068 2.790 572 HG2 GLU 72 HG2 GLU 72 5.487 16.865 1.146 573 HG3 GLU 72 HG1 GLU 72 5.439 15.674 -0.153 574 H ASN 73 HN ASN 73 8.785 13.191 0.639 575 HA ASN 73 HA ASN 73 9.325 11.003 0.748 576 HB2 ASN 73 HB2 ASN 73 10.309 10.235 2.910 577 HB3 ASN 73 HB1 ASN 73 10.952 11.764 2.334 578 HD21 ASN 73 HD21 ASN 73 8.854 10.241 4.676 579 HD22 ASN 73 HD22 ASN 73 8.824 11.563 5.790 580 H ILE 74 HN ILE 74 6.671 11.247 0.600 581 HA ILE 74 HA ILE 74 5.673 9.162 2.426 582 HB ILE 74 HB ILE 74 4.257 11.580 1.317 583 HG12 ILE 74 HG12 ILE 74 4.465 10.668 4.176 584 HG13 ILE 74 HG11 ILE 74 5.718 11.646 3.426 585 HG21 ILE 74 HG21 ILE 74 2.734 9.719 1.098 586 HG22 ILE 74 HG22 ILE 74 2.228 10.744 2.441 587 HG23 ILE 74 HG23 ILE 74 3.058 9.222 2.760 588 HD11 ILE 74 HD11 ILE 74 2.833 12.410 3.762 589 HD12 ILE 74 HD12 ILE 74 4.074 13.383 2.970 590 HD13 ILE 74 HD13 ILE 74 4.205 13.019 4.691 591 H LEU 75 HN LEU 75 4.647 7.455 1.558 592 HA LEU 75 HA LEU 75 4.441 7.312 -1.364 593 HB2 LEU 75 HB2 LEU 75 5.762 5.575 -0.151 594 HB3 LEU 75 HB1 LEU 75 4.318 5.116 0.724 595 HG LEU 75 HG LEU 75 5.034 3.616 -1.200 596 HD11 LEU 75 HD11 LEU 75 2.245 4.753 -1.201 597 HD12 LEU 75 HD12 LEU 75 2.841 3.403 -0.233 598 HD13 LEU 75 HD13 LEU 75 2.730 3.249 -1.987 599 HD21 LEU 75 HD21 LEU 75 4.318 4.309 -3.442 600 HD22 LEU 75 HD22 LEU 75 5.612 5.322 -2.808 601 HD23 LEU 75 HD23 LEU 75 3.953 5.916 -2.816 602 H TYR 76 HN TYR 76 2.494 8.146 -1.925 603 HA TYR 76 HA TYR 76 0.189 7.608 -0.234 604 HB2 TYR 76 HB2 TYR 76 -0.630 9.545 -1.031 605 HB3 TYR 76 HB1 TYR 76 0.957 9.798 -1.741 606 HD1 TYR 76 HD1 TYR 76 1.319 9.394 -4.127 607 HD2 TYR 76 HD2 TYR 76 -2.524 8.981 -2.365 608 HE1 TYR 76 HE1 TYR 76 0.298 9.453 -6.367 609 HE2 TYR 76 HE2 TYR 76 -3.560 9.045 -4.601 610 HH TYR 76 HH TYR 76 -1.770 8.699 -7.463 611 H ILE 77 HN ILE 77 -1.531 6.351 -0.810 612 HA ILE 77 HA ILE 77 -1.012 4.448 -2.957 613 HB ILE 77 HB ILE 77 -3.107 4.462 -0.777 614 HG12 ILE 77 HG12 ILE 77 -0.811 4.052 0.022 615 HG13 ILE 77 HG11 ILE 77 -1.824 2.622 0.188 616 HG21 ILE 77 HG21 ILE 77 -2.513 2.350 -2.839 617 HG22 ILE 77 HG22 ILE 77 -3.959 3.356 -2.756 618 HG23 ILE 77 HG23 ILE 77 -3.628 2.178 -1.484 619 HD11 ILE 77 HD11 ILE 77 0.369 2.005 -0.584 620 HD12 ILE 77 HD12 ILE 77 0.237 3.117 -1.947 621 HD13 ILE 77 HD13 ILE 77 -0.813 1.704 -1.856 622 H ASN 78 HN ASN 78 -3.707 6.455 -1.804 623 HA ASN 78 HA ASN 78 -4.425 7.230 -4.458 624 HB2 ASN 78 HB2 ASN 78 -6.780 6.290 -4.262 625 HB3 ASN 78 HB1 ASN 78 -5.512 5.124 -4.616 626 HD21 ASN 78 HD21 ASN 78 -6.749 3.428 -3.833 627 HD22 ASN 78 HD22 ASN 78 -7.014 3.188 -2.143 628 H GLY 79 HN GLY 79 -7.033 8.085 -3.994 629 HA2 GLY 79 HA2 GLY 79 -6.561 10.307 -2.237 630 HA3 GLY 79 HA1 GLY 79 -8.029 9.989 -3.144 631 H LYS 80 HN LYS 80 -7.332 7.222 -1.495 632 HA LYS 80 HA LYS 80 -9.373 7.833 0.497 633 HB2 LYS 80 HB2 LYS 80 -8.061 5.162 -0.011 634 HB3 LYS 80 HB1 LYS 80 -9.595 5.473 0.789 635 HG2 LYS 80 HG2 LYS 80 -9.019 5.948 -2.123 636 HG3 LYS 80 HG1 LYS 80 -9.880 4.556 -1.461 637 HD2 LYS 80 HD2 LYS 80 -11.609 6.030 -0.582 638 HD3 LYS 80 HD1 LYS 80 -10.739 7.436 -1.196 639 HE2 LYS 80 HE2 LYS 80 -11.006 6.581 -3.482 640 HE3 LYS 80 HE1 LYS 80 -11.901 5.200 -2.852 641 HZ1 LYS 80 HZ1 LYS 80 -13.564 6.744 -1.985 642 HZ2 LYS 80 HZ2 LYS 80 -13.406 6.884 -3.662 643 HZ3 LYS 80 HZ3 LYS 80 -12.713 8.047 -2.648 644 H LEU 81 HN LEU 81 -6.058 6.675 0.218 645 HA LEU 81 HA LEU 81 -5.409 7.745 2.786 646 HB2 LEU 81 HB2 LEU 81 -4.457 5.470 3.547 647 HB3 LEU 81 HB1 LEU 81 -6.150 5.834 3.797 648 HG LEU 81 HG LEU 81 -6.711 4.474 1.804 649 HD11 LEU 81 HD11 LEU 81 -3.802 3.701 1.849 650 HD12 LEU 81 HD12 LEU 81 -4.575 4.698 0.619 651 HD13 LEU 81 HD13 LEU 81 -5.057 3.012 0.817 652 HD21 LEU 81 HD21 LEU 81 -6.860 3.475 3.965 653 HD22 LEU 81 HD22 LEU 81 -5.127 3.153 3.986 654 HD23 LEU 81 HD23 LEU 81 -6.168 2.297 2.848 655 H SER 82 HN SER 82 -3.210 7.768 3.269 656 HA SER 82 HA SER 82 -1.406 6.988 1.101 657 HB2 SER 82 HB2 SER 82 -1.798 9.342 0.758 658 HB3 SER 82 HB1 SER 82 -1.546 9.682 2.460 659 HG SER 82 HG SER 82 0.428 10.040 1.870 660 H ILE 83 HN ILE 83 0.778 6.597 1.811 661 HA ILE 83 HA ILE 83 0.877 5.914 4.681 662 HB ILE 83 HB ILE 83 2.217 4.490 2.376 663 HG12 ILE 83 HG12 ILE 83 -0.196 4.096 2.396 664 HG13 ILE 83 HG11 ILE 83 0.667 2.641 2.880 665 HG21 ILE 83 HG21 ILE 83 3.539 4.390 4.418 666 HG22 ILE 83 HG22 ILE 83 2.852 2.813 4.031 667 HG23 ILE 83 HG23 ILE 83 2.137 3.796 5.309 668 HD11 ILE 83 HD11 ILE 83 -1.295 2.943 4.249 669 HD12 ILE 83 HD12 ILE 83 -0.766 4.564 4.701 670 HD13 ILE 83 HD13 ILE 83 0.154 3.155 5.233 671 HA PRO 84 HA PRO 84 4.379 8.750 4.330 672 HB2 PRO 84 HB2 PRO 84 4.436 9.486 6.916 673 HB3 PRO 84 HB1 PRO 84 3.254 10.139 5.778 674 HG2 PRO 84 HG2 PRO 84 2.916 8.040 7.865 675 HG3 PRO 84 HG1 PRO 84 1.783 9.296 7.342 676 HD2 PRO 84 HD2 PRO 84 1.702 6.638 6.548 677 HD3 PRO 84 HD1 PRO 84 0.935 7.984 5.686 678 H LEU 85 HN LEU 85 6.488 8.310 4.529 679 HA LEU 85 HA LEU 85 7.232 5.971 6.134 680 HB2 LEU 85 HB2 LEU 85 8.673 7.380 3.883 681 HB3 LEU 85 HB1 LEU 85 9.365 6.064 4.810 682 HG LEU 85 HG LEU 85 8.614 5.062 2.842 683 HD11 LEU 85 HD11 LEU 85 7.926 3.821 4.821 684 HD12 LEU 85 HD12 LEU 85 6.781 3.603 3.497 685 HD13 LEU 85 HD13 LEU 85 6.388 4.683 4.833 686 HD21 LEU 85 HD21 LEU 85 7.324 6.897 1.951 687 HD22 LEU 85 HD22 LEU 85 6.046 6.603 3.130 688 HD23 LEU 85 HD23 LEU 85 6.387 5.405 1.882 689 HA PRO 86 HA PRO 86 9.361 8.431 9.128 690 HB2 PRO 86 HB2 PRO 86 11.431 6.714 9.691 691 HB3 PRO 86 HB1 PRO 86 9.812 6.574 10.375 692 HG2 PRO 86 HG2 PRO 86 11.032 5.122 8.074 693 HG3 PRO 86 HG1 PRO 86 9.978 4.499 9.355 694 HD2 PRO 86 HD2 PRO 86 9.050 5.031 6.892 695 HD3 PRO 86 HD1 PRO 86 8.064 5.313 8.343 696 H ARG 87 HN ARG 87 11.018 9.864 9.181 697 HA ARG 87 HA ARG 87 12.311 10.344 6.677 698 HB2 ARG 87 HB2 ARG 87 12.314 11.783 9.314 699 HB3 ARG 87 HB1 ARG 87 13.388 12.270 8.014 700 HG2 ARG 87 HG2 ARG 87 11.491 13.671 7.909 701 HG3 ARG 87 HG1 ARG 87 11.362 12.539 6.565 702 HD2 ARG 87 HD2 ARG 87 9.809 11.171 7.907 703 HD3 ARG 87 HD1 ARG 87 9.909 12.364 9.202 704 HE ARG 87 HE ARG 87 9.160 13.799 6.999 705 HH11 ARG 87 HH11 ARG 87 7.856 11.039 8.719 706 HH12 ARG 87 HH12 ARG 87 6.213 11.384 8.279 707 HH21 ARG 87 HH21 ARG 87 7.011 14.245 6.413 708 HH22 ARG 87 HH22 ARG 87 5.734 13.207 6.961 709 H ASP 88 HN ASP 88 13.146 8.372 9.247 710 HA ASP 88 HA ASP 88 15.985 8.908 9.081 711 HB2 ASP 88 HB2 ASP 88 16.194 7.342 10.866 712 HB3 ASP 88 HB1 ASP 88 14.842 8.382 11.241 713 H ILE 89 HN ILE 89 13.793 7.231 7.278 714 HA ILE 89 HA ILE 89 15.773 5.201 6.481 715 HB ILE 89 HB ILE 89 12.773 5.185 6.083 716 HG12 ILE 89 HG12 ILE 89 14.563 3.516 7.868 717 HG13 ILE 89 HG11 ILE 89 13.431 4.752 8.403 718 HG21 ILE 89 HG21 ILE 89 13.942 4.109 4.224 719 HG22 ILE 89 HG22 ILE 89 13.076 2.926 5.203 720 HG23 ILE 89 HG23 ILE 89 14.824 3.090 5.362 721 HD11 ILE 89 HD11 ILE 89 12.732 2.154 7.062 722 HD12 ILE 89 HD12 ILE 89 11.581 3.403 7.529 723 HD13 ILE 89 HD13 ILE 89 12.510 2.559 8.765 724 H VAL 90 HN VAL 90 16.516 5.202 4.430 725 HA VAL 90 HA VAL 90 15.725 7.403 2.710 726 HB VAL 90 HB VAL 90 18.093 7.061 2.904 727 HG11 VAL 90 HG11 VAL 90 19.199 5.001 2.132 728 HG12 VAL 90 HG12 VAL 90 17.615 4.250 1.930 729 HG13 VAL 90 HG13 VAL 90 18.165 4.733 3.535 730 HG21 VAL 90 HG21 VAL 90 18.724 6.742 0.537 731 HG22 VAL 90 HG22 VAL 90 17.353 7.831 0.746 732 HG23 VAL 90 HG23 VAL 90 17.089 6.173 0.204 733 H VAL 91 HN VAL 91 14.179 7.200 1.262 734 HA VAL 91 HA VAL 91 13.525 4.503 0.250 735 HB VAL 91 HB VAL 91 11.576 6.735 0.874 736 HG11 VAL 91 HG11 VAL 91 11.083 3.898 0.000 737 HG12 VAL 91 HG12 VAL 91 10.851 5.345 -0.979 738 HG13 VAL 91 HG13 VAL 91 9.845 5.073 0.444 739 HG21 VAL 91 HG21 VAL 91 12.458 5.795 2.924 740 HG22 VAL 91 HG22 VAL 91 12.105 4.163 2.356 741 HG23 VAL 91 HG23 VAL 91 10.786 5.284 2.694 742 H ASN 92 HN ASN 92 13.322 4.264 -1.842 743 HA ASN 92 HA ASN 92 12.866 6.561 -3.583 744 HB2 ASN 92 HB2 ASN 92 14.657 5.133 -5.075 745 HB3 ASN 92 HB1 ASN 92 15.051 6.583 -4.164 746 HD21 ASN 92 HD21 ASN 92 14.936 3.079 -3.954 747 HD22 ASN 92 HD22 ASN 92 16.271 2.918 -2.870 748 H ALA 93 HN ALA 93 12.260 5.884 -5.773 749 HA ALA 93 HA ALA 93 10.147 4.019 -5.637 750 HB1 ALA 93 HB1 ALA 93 10.123 5.980 -7.094 751 HB2 ALA 93 HB2 ALA 93 9.826 4.496 -7.998 752 HB3 ALA 93 HB3 ALA 93 11.407 5.270 -8.070 753 H ALA 94 HN ALA 94 13.450 3.622 -6.314 754 HA ALA 94 HA ALA 94 13.144 1.200 -7.868 755 HB1 ALA 94 HB1 ALA 94 15.027 2.718 -8.268 756 HB2 ALA 94 HB2 ALA 94 15.570 1.101 -7.822 757 HB3 ALA 94 HB3 ALA 94 15.616 2.405 -6.636 758 H ASP 95 HN ASP 95 13.082 2.023 -4.604 759 HA ASP 95 HA ASP 95 13.932 -0.671 -3.767 760 HB2 ASP 95 HB2 ASP 95 15.170 1.300 -2.834 761 HB3 ASP 95 HB1 ASP 95 13.672 1.823 -2.076 762 H ILE 96 HN ILE 96 11.367 1.585 -3.923 763 HA ILE 96 HA ILE 96 9.573 0.388 -2.069 764 HB ILE 96 HB ILE 96 9.165 2.205 -4.445 765 HG12 ILE 96 HG12 ILE 96 8.916 2.840 -1.512 766 HG13 ILE 96 HG11 ILE 96 10.429 3.009 -2.400 767 HG21 ILE 96 HG21 ILE 96 6.906 2.610 -3.642 768 HG22 ILE 96 HG22 ILE 96 7.140 1.436 -2.342 769 HG23 ILE 96 HG23 ILE 96 7.129 0.903 -4.023 770 HD11 ILE 96 HD11 ILE 96 9.442 4.628 -3.861 771 HD12 ILE 96 HD12 ILE 96 9.182 5.113 -2.185 772 HD13 ILE 96 HD13 ILE 96 7.863 4.397 -3.109 773 H LYS 97 HN LYS 97 8.707 -1.550 -2.271 774 HA LYS 97 HA LYS 97 8.206 -2.621 -4.972 775 HB2 LYS 97 HB2 LYS 97 8.376 -4.253 -2.444 776 HB3 LYS 97 HB1 LYS 97 8.521 -4.802 -4.101 777 HG2 LYS 97 HG2 LYS 97 10.525 -3.131 -2.606 778 HG3 LYS 97 HG1 LYS 97 10.671 -4.845 -2.993 779 HD2 LYS 97 HD2 LYS 97 10.504 -2.594 -4.999 780 HD3 LYS 97 HD1 LYS 97 11.975 -3.446 -4.532 781 HE2 LYS 97 HE2 LYS 97 11.070 -5.529 -5.401 782 HE3 LYS 97 HE1 LYS 97 9.561 -4.719 -5.815 783 HZ1 LYS 97 HZ1 LYS 97 10.764 -3.333 -7.374 784 HZ2 LYS 97 HZ2 LYS 97 10.996 -4.967 -7.736 785 HZ3 LYS 97 HZ3 LYS 97 12.222 -4.093 -6.970 786 H ILE 98 HN ILE 98 6.113 -2.183 -5.448 787 HA ILE 98 HA ILE 98 4.111 -2.532 -3.321 788 HB ILE 98 HB ILE 98 3.900 -0.930 -5.873 789 HG12 ILE 98 HG12 ILE 98 4.234 -0.082 -2.990 790 HG13 ILE 98 HG11 ILE 98 5.429 0.083 -4.272 791 HG21 ILE 98 HG21 ILE 98 1.751 -1.857 -5.130 792 HG22 ILE 98 HG22 ILE 98 1.801 -0.103 -4.979 793 HG23 ILE 98 HG23 ILE 98 1.989 -1.117 -3.549 794 HD11 ILE 98 HD11 ILE 98 3.892 1.598 -5.452 795 HD12 ILE 98 HD12 ILE 98 4.391 2.199 -3.872 796 HD13 ILE 98 HD13 ILE 98 2.786 1.496 -4.084 797 H PHE 99 HN PHE 99 2.928 -4.289 -3.417 798 HA PHE 99 HA PHE 99 2.284 -5.443 -6.042 799 HB2 PHE 99 HB2 PHE 99 3.001 -6.957 -3.524 800 HB3 PHE 99 HB1 PHE 99 2.414 -7.694 -5.008 801 HD1 PHE 99 HD2 PHE 99 3.837 -7.865 -6.958 802 HD2 PHE 99 HD1 PHE 99 5.246 -6.142 -3.336 803 HE1 PHE 99 HE2 PHE 99 6.150 -8.058 -7.773 804 HE2 PHE 99 HE1 PHE 99 7.556 -6.345 -4.139 805 HZ PHE 99 HZ PHE 99 8.012 -7.295 -6.360 806 H HIS 100 HN HIS 100 0.174 -5.516 -6.360 807 HA HIS 100 HA HIS 100 -1.578 -5.572 -3.988 808 HB2 HIS 100 HB2 HIS 100 -2.071 -3.668 -5.403 809 HB3 HIS 100 HB1 HIS 100 -2.177 -4.701 -6.825 810 HD1 HIS 100 HD1 HIS 100 -4.422 -5.741 -7.327 811 HD2 HIS 100 HD2 HIS 100 -4.254 -4.035 -3.537 812 HE1 HIS 100 HE1 HIS 100 -6.748 -5.918 -6.405 813 HE2 HIS 100 HE2 HIS 100 -6.661 -4.718 -4.188 814 H ILE 101 HN ILE 101 -2.518 -7.426 -3.509 815 HA ILE 101 HA ILE 101 -2.785 -9.450 -5.608 816 HB ILE 101 HB ILE 101 -3.164 -9.709 -2.623 817 HG12 ILE 101 HG12 ILE 101 -0.913 -10.578 -4.450 818 HG13 ILE 101 HG11 ILE 101 -0.832 -9.319 -3.221 819 HG21 ILE 101 HG21 ILE 101 -3.001 -11.899 -4.683 820 HG22 ILE 101 HG22 ILE 101 -4.518 -11.251 -4.067 821 HG23 ILE 101 HG23 ILE 101 -3.392 -12.052 -2.970 822 HD11 ILE 101 HD11 ILE 101 -1.238 -12.256 -2.747 823 HD12 ILE 101 HD12 ILE 101 -1.239 -11.013 -1.498 824 HD13 ILE 101 HD13 ILE 101 0.227 -11.324 -2.431 825 H ARG 102 HN ARG 102 -4.635 -9.712 -6.571 826 HA ARG 102 HA ARG 102 -6.920 -8.162 -5.818 827 HB2 ARG 102 HB2 ARG 102 -7.939 -9.430 -7.836 828 HB3 ARG 102 HB1 ARG 102 -6.645 -8.273 -8.119 829 HG2 ARG 102 HG2 ARG 102 -5.031 -10.120 -8.191 830 HG3 ARG 102 HG1 ARG 102 -6.351 -11.265 -7.958 831 HD2 ARG 102 HD2 ARG 102 -7.310 -10.715 -10.055 832 HD3 ARG 102 HD1 ARG 102 -6.264 -9.309 -10.238 833 HE ARG 102 HE ARG 102 -5.222 -12.070 -10.253 834 HH11 ARG 102 HH11 ARG 102 -5.413 -8.855 -11.623 835 HH12 ARG 102 HH12 ARG 102 -4.174 -9.138 -12.800 836 HH21 ARG 102 HH21 ARG 102 -3.593 -12.456 -11.819 837 HH22 ARG 102 HH22 ARG 102 -3.149 -11.192 -12.922 838 H LYS 103 HN LYS 103 -6.063 -11.574 -5.666 839 HA LYS 103 HA LYS 103 -8.678 -12.469 -4.972 840 HB2 LYS 103 HB2 LYS 103 -6.935 -13.940 -5.957 841 HB3 LYS 103 HB1 LYS 103 -6.018 -13.809 -4.462 842 HG2 LYS 103 HG2 LYS 103 -7.858 -14.866 -3.241 843 HG3 LYS 103 HG1 LYS 103 -8.765 -15.011 -4.748 844 HD2 LYS 103 HD2 LYS 103 -7.736 -17.118 -4.338 845 HD3 LYS 103 HD1 LYS 103 -6.851 -16.353 -5.657 846 HE2 LYS 103 HE2 LYS 103 -5.158 -15.591 -4.027 847 HE3 LYS 103 HE1 LYS 103 -6.024 -16.460 -2.761 848 HZ1 LYS 103 HZ1 LYS 103 -4.271 -17.837 -3.500 849 HZ2 LYS 103 HZ2 LYS 103 -4.662 -17.605 -5.127 850 HZ3 LYS 103 HZ3 LYS 103 -5.696 -18.503 -4.129 851 H GLU 104 HN GLU 104 -5.796 -11.601 -3.152 852 HA GLU 104 HA GLU 104 -6.967 -12.244 -0.606 853 HB2 GLU 104 HB2 GLU 104 -4.503 -12.408 -1.170 854 HB3 GLU 104 HB1 GLU 104 -4.456 -10.652 -1.154 855 HG2 GLU 104 HG2 GLU 104 -3.646 -11.480 0.935 856 HG3 GLU 104 HG1 GLU 104 -5.204 -10.693 1.197 857 H ARG 105 HN ARG 105 -7.195 -9.700 -2.756 858 HA ARG 105 HA ARG 105 -7.991 -7.570 -2.694 859 HB2 ARG 105 HB2 ARG 105 -9.097 -8.365 0.011 860 HB3 ARG 105 HB1 ARG 105 -9.637 -7.018 -0.980 861 HG2 ARG 105 HG2 ARG 105 -9.851 -9.920 -1.754 862 HG3 ARG 105 HG1 ARG 105 -11.153 -8.955 -1.060 863 HD2 ARG 105 HD2 ARG 105 -9.742 -8.402 -3.667 864 HD3 ARG 105 HD1 ARG 105 -11.339 -9.126 -3.496 865 HE ARG 105 HE ARG 105 -11.407 -6.704 -2.148 866 HH11 ARG 105 HH11 ARG 105 -10.994 -7.854 -5.423 867 HH12 ARG 105 HH12 ARG 105 -11.608 -6.401 -6.148 868 HH21 ARG 105 HH21 ARG 105 -12.244 -4.800 -3.093 869 HH22 ARG 105 HH22 ARG 105 -12.319 -4.664 -4.824 870 H THR 106 HN THR 106 -5.324 -8.059 -1.724 871 HA THR 106 HA THR 106 -5.108 -6.089 0.451 872 HB THR 106 HB THR 106 -3.606 -8.706 0.238 873 HG1 THR 106 HG1 THR 106 -5.790 -8.889 0.996 874 HG21 THR 106 HG21 THR 106 -2.169 -7.024 1.200 875 HG22 THR 106 HG22 THR 106 -2.739 -8.084 2.489 876 HG23 THR 106 HG23 THR 106 -3.453 -6.486 2.280 877 H LEU 107 HN LEU 107 -3.460 -4.663 0.330 878 HA LEU 107 HA LEU 107 -1.694 -4.854 -2.009 879 HB2 LEU 107 HB2 LEU 107 -3.354 -2.812 -1.244 880 HB3 LEU 107 HB1 LEU 107 -1.835 -2.310 -0.533 881 HG LEU 107 HG LEU 107 -2.346 -2.854 -3.455 882 HD11 LEU 107 HD11 LEU 107 -3.295 -0.760 -2.640 883 HD12 LEU 107 HD12 LEU 107 -1.930 -0.473 -3.719 884 HD13 LEU 107 HD13 LEU 107 -1.727 -0.305 -1.975 885 HD21 LEU 107 HD21 LEU 107 0.182 -1.980 -2.070 886 HD22 LEU 107 HD22 LEU 107 -0.066 -2.061 -3.814 887 HD23 LEU 107 HD23 LEU 107 -0.094 -3.538 -2.850 888 H TYR 108 HN TYR 108 0.345 -5.367 -1.599 889 HA TYR 108 HA TYR 108 1.377 -5.123 1.135 890 HB2 TYR 108 HB2 TYR 108 2.388 -6.740 -1.216 891 HB3 TYR 108 HB1 TYR 108 3.115 -6.721 0.385 892 HD1 TYR 108 HD1 TYR 108 -0.115 -7.450 -1.322 893 HD2 TYR 108 HD2 TYR 108 2.465 -8.314 1.947 894 HE1 TYR 108 HE1 TYR 108 -1.598 -9.275 -0.643 895 HE2 TYR 108 HE2 TYR 108 0.982 -10.150 2.635 896 HH TYR 108 HH TYR 108 -1.469 -10.748 2.343 897 H ILE 109 HN ILE 109 2.787 -3.597 1.604 898 HA ILE 109 HA ILE 109 4.347 -2.357 -0.572 899 HB ILE 109 HB ILE 109 3.654 -1.195 2.131 900 HG12 ILE 109 HG12 ILE 109 1.652 -1.393 0.735 901 HG13 ILE 109 HG11 ILE 109 2.115 0.294 0.926 902 HG21 ILE 109 HG21 ILE 109 4.523 0.896 1.259 903 HG22 ILE 109 HG22 ILE 109 4.906 0.117 -0.277 904 HG23 ILE 109 HG23 ILE 109 5.756 -0.363 1.192 905 HD11 ILE 109 HD11 ILE 109 1.409 -0.176 -1.342 906 HD12 ILE 109 HD12 ILE 109 2.649 -1.424 -1.487 907 HD13 ILE 109 HD13 ILE 109 3.115 0.268 -1.296 908 H TYR 110 HN TYR 110 6.410 -3.066 -0.580 909 HA TYR 110 HA TYR 110 7.716 -3.496 2.030 910 HB2 TYR 110 HB2 TYR 110 8.418 -4.754 -0.628 911 HB3 TYR 110 HB1 TYR 110 9.258 -5.028 0.887 912 HD1 TYR 110 HD1 TYR 110 6.175 -5.698 -1.007 913 HD2 TYR 110 HD2 TYR 110 8.367 -6.519 2.547 914 HE1 TYR 110 HE1 TYR 110 4.702 -7.611 -0.545 915 HE2 TYR 110 HE2 TYR 110 6.895 -8.430 3.019 916 HH TYR 110 HH TYR 110 4.738 -9.283 2.471 917 H ILE 111 HN ILE 111 9.264 -2.084 2.502 918 HA ILE 111 HA ILE 111 10.726 -0.801 0.300 919 HB ILE 111 HB ILE 111 9.718 0.645 2.764 920 HG12 ILE 111 HG12 ILE 111 8.936 0.963 -0.146 921 HG13 ILE 111 HG11 ILE 111 7.949 0.192 1.090 922 HG21 ILE 111 HG21 ILE 111 11.898 1.456 2.069 923 HG22 ILE 111 HG22 ILE 111 10.659 2.650 1.683 924 HG23 ILE 111 HG23 ILE 111 11.328 1.631 0.409 925 HD11 ILE 111 HD11 ILE 111 7.817 2.312 2.293 926 HD12 ILE 111 HD12 ILE 111 7.192 2.446 0.649 927 HD13 ILE 111 HD13 ILE 111 8.791 3.079 1.040 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 18.316 17.179 -2.460 2 H2 GLY 1 HT2 GLY 1 18.958 18.684 -2.044 3 H3 GLY 1 HT3 GLY 1 18.004 18.524 -3.430 4 HA2 GLY 1 HA1 GLY 1 17.078 18.158 -0.641 5 HA3 GLY 1 HA2 GLY 1 16.757 19.562 -1.648 6 HA PRO 2 HA PRO 2 13.996 15.723 -2.740 7 HB2 PRO 2 HB2 PRO 2 12.461 15.174 -0.578 8 HB3 PRO 2 HB1 PRO 2 14.007 14.375 -0.880 9 HG2 PRO 2 HG2 PRO 2 13.380 16.656 0.955 10 HG3 PRO 2 HG1 PRO 2 14.419 15.245 1.236 11 HD2 PRO 2 HD2 PRO 2 15.388 17.695 0.567 12 HD3 PRO 2 HD1 PRO 2 16.198 16.181 0.125 13 H HIS 3 HN HIS 3 12.835 17.044 -4.052 14 HA HIS 3 HA HIS 3 10.427 18.222 -2.897 15 HB2 HIS 3 HB2 HIS 3 10.689 20.317 -4.170 16 HB3 HIS 3 HB1 HIS 3 11.969 20.110 -2.985 17 HD1 HIS 3 HD1 HIS 3 14.306 20.307 -3.823 18 HD2 HIS 3 HD2 HIS 3 11.575 19.757 -6.907 19 HE1 HIS 3 HE1 HIS 3 15.612 20.612 -5.948 20 HE2 HIS 3 HE2 HIS 3 13.893 20.487 -7.783 21 H MET 4 HN MET 4 11.218 15.917 -4.618 22 HA MET 4 HA MET 4 9.527 16.546 -6.941 23 HB2 MET 4 HB2 MET 4 10.859 14.977 -8.276 24 HB3 MET 4 HB1 MET 4 11.848 16.292 -7.663 25 HG2 MET 4 HG2 MET 4 11.701 13.572 -6.390 26 HG3 MET 4 HG1 MET 4 12.910 14.039 -7.580 27 HE1 MET 4 HE1 MET 4 13.628 17.015 -6.830 28 HE2 MET 4 HE2 MET 4 14.825 15.764 -7.165 29 HE3 MET 4 HE3 MET 4 14.969 16.759 -5.716 30 H SER 5 HN SER 5 8.466 14.627 -7.882 31 HA SER 5 HA SER 5 7.939 12.529 -5.901 32 HB2 SER 5 HB2 SER 5 5.498 12.681 -6.659 33 HB3 SER 5 HB1 SER 5 6.083 13.978 -5.617 34 HG SER 5 HG SER 5 4.853 14.435 -7.723 35 H VAL 6 HN VAL 6 7.475 10.505 -6.743 36 HA VAL 6 HA VAL 6 7.550 10.233 -9.674 37 HB VAL 6 HB VAL 6 8.873 8.117 -9.350 38 HG11 VAL 6 HG11 VAL 6 9.948 10.118 -10.177 39 HG12 VAL 6 HG12 VAL 6 11.038 9.264 -9.084 40 HG13 VAL 6 HG13 VAL 6 10.184 10.705 -8.532 41 HG21 VAL 6 HG21 VAL 6 8.490 7.682 -7.027 42 HG22 VAL 6 HG22 VAL 6 9.185 9.235 -6.569 43 HG23 VAL 6 HG23 VAL 6 10.215 7.975 -7.249 44 H GLN 7 HN GLN 7 6.275 8.604 -10.520 45 HA GLN 7 HA GLN 7 4.203 7.670 -8.715 46 HB2 GLN 7 HB2 GLN 7 2.927 7.122 -10.646 47 HB3 GLN 7 HB1 GLN 7 3.664 8.685 -10.949 48 HG2 GLN 7 HG2 GLN 7 4.702 6.068 -12.008 49 HG3 GLN 7 HG1 GLN 7 3.661 7.169 -12.904 50 HE21 GLN 7 HE21 GLN 7 6.846 6.580 -11.686 51 HE22 GLN 7 HE22 GLN 7 7.637 7.851 -12.558 52 H ILE 8 HN ILE 8 3.838 5.571 -8.146 53 HA ILE 8 HA ILE 8 5.866 3.640 -9.056 54 HB ILE 8 HB ILE 8 4.187 3.171 -6.623 55 HG12 ILE 8 HG12 ILE 8 5.108 5.427 -6.291 56 HG13 ILE 8 HG11 ILE 8 5.862 4.268 -5.206 57 HG21 ILE 8 HG21 ILE 8 5.585 1.376 -7.503 58 HG22 ILE 8 HG22 ILE 8 6.147 1.898 -5.916 59 HG23 ILE 8 HG23 ILE 8 7.009 2.409 -7.367 60 HD11 ILE 8 HD11 ILE 8 7.050 5.367 -7.740 61 HD12 ILE 8 HD12 ILE 8 7.809 4.176 -6.683 62 HD13 ILE 8 HD13 ILE 8 7.495 5.809 -6.091 63 HA PRO 9 HA PRO 9 2.301 1.632 -10.915 64 HB2 PRO 9 HB2 PRO 9 3.678 -0.275 -12.239 65 HB3 PRO 9 HB1 PRO 9 3.605 1.399 -12.803 66 HG2 PRO 9 HG2 PRO 9 5.786 -0.014 -11.328 67 HG3 PRO 9 HG1 PRO 9 5.904 1.159 -12.652 68 HD2 PRO 9 HD2 PRO 9 6.284 1.781 -10.004 69 HD3 PRO 9 HD1 PRO 9 5.767 2.950 -11.234 70 H VAL 10 HN VAL 10 1.037 0.058 -10.099 71 HA VAL 10 HA VAL 10 2.106 -1.671 -8.031 72 HB VAL 10 HB VAL 10 -0.714 -1.527 -9.113 73 HG11 VAL 10 HG11 VAL 10 -0.303 -3.639 -8.032 74 HG12 VAL 10 HG12 VAL 10 -1.309 -2.639 -6.984 75 HG13 VAL 10 HG13 VAL 10 0.410 -2.831 -6.637 76 HG21 VAL 10 HG21 VAL 10 0.473 -0.244 -6.662 77 HG22 VAL 10 HG22 VAL 10 -1.229 -0.215 -7.123 78 HG23 VAL 10 HG23 VAL 10 -0.027 0.593 -8.129 79 H VAL 11 HN VAL 11 2.633 -3.751 -8.266 80 HA VAL 11 HA VAL 11 2.031 -5.079 -10.804 81 HB VAL 11 HB VAL 11 3.772 -5.992 -8.503 82 HG11 VAL 11 HG11 VAL 11 3.391 -7.160 -11.258 83 HG12 VAL 11 HG12 VAL 11 2.836 -7.865 -9.739 84 HG13 VAL 11 HG13 VAL 11 4.565 -7.712 -10.062 85 HG21 VAL 11 HG21 VAL 11 5.651 -5.492 -9.999 86 HG22 VAL 11 HG22 VAL 11 4.707 -4.048 -9.639 87 HG23 VAL 11 HG23 VAL 11 4.524 -4.854 -11.197 88 H GLU 12 HN GLU 12 0.128 -6.105 -10.875 89 HA GLU 12 HA GLU 12 -1.040 -7.108 -8.406 90 HB2 GLU 12 HB2 GLU 12 -2.187 -6.961 -11.196 91 HB3 GLU 12 HB1 GLU 12 -3.062 -7.492 -9.763 92 HG2 GLU 12 HG2 GLU 12 -2.568 -5.254 -8.759 93 HG3 GLU 12 HG1 GLU 12 -1.962 -4.764 -10.332 94 H VAL 13 HN VAL 13 -0.517 -9.012 -7.778 95 HA VAL 13 HA VAL 13 -0.142 -11.161 -9.747 96 HB VAL 13 HB VAL 13 1.657 -12.028 -8.105 97 HG11 VAL 13 HG11 VAL 13 2.124 -9.641 -9.881 98 HG12 VAL 13 HG12 VAL 13 2.207 -11.340 -10.338 99 HG13 VAL 13 HG13 VAL 13 3.403 -10.664 -9.232 100 HG21 VAL 13 HG21 VAL 13 2.878 -10.263 -6.911 101 HG22 VAL 13 HG22 VAL 13 1.231 -10.443 -6.306 102 HG23 VAL 13 HG23 VAL 13 1.635 -9.100 -7.374 103 H ASP 14 HN ASP 14 0.268 -13.292 -8.262 104 HA ASP 14 HA ASP 14 -2.253 -13.668 -6.896 105 HB2 ASP 14 HB2 ASP 14 -1.487 -15.388 -8.451 106 HB3 ASP 14 HB1 ASP 14 0.010 -15.575 -7.548 107 H GLU 15 HN GLU 15 1.123 -13.358 -6.234 108 HA GLU 15 HA GLU 15 0.739 -12.647 -3.546 109 HB2 GLU 15 HB2 GLU 15 1.668 -14.486 -2.371 110 HB3 GLU 15 HB1 GLU 15 0.437 -15.158 -3.433 111 HG2 GLU 15 HG2 GLU 15 2.114 -15.914 -4.985 112 HG3 GLU 15 HG1 GLU 15 3.383 -15.144 -4.035 113 H LEU 16 HN LEU 16 3.125 -12.824 -2.456 114 HA LEU 16 HA LEU 16 4.777 -11.270 -4.185 115 HB2 LEU 16 HB2 LEU 16 5.275 -12.323 -1.398 116 HB3 LEU 16 HB1 LEU 16 6.293 -11.173 -2.236 117 HG LEU 16 HG LEU 16 5.035 -9.880 -0.751 118 HD11 LEU 16 HD11 LEU 16 3.576 -9.760 -3.380 119 HD12 LEU 16 HD12 LEU 16 5.086 -8.935 -2.989 120 HD13 LEU 16 HD13 LEU 16 3.599 -8.502 -2.144 121 HD21 LEU 16 HD21 LEU 16 3.396 -11.596 -0.147 122 HD22 LEU 16 HD22 LEU 16 2.541 -11.300 -1.660 123 HD23 LEU 16 HD23 LEU 16 2.645 -10.030 -0.441 124 HA PRO 17 HA PRO 17 7.440 -14.502 -5.672 125 HB2 PRO 17 HB2 PRO 17 9.745 -12.766 -5.456 126 HB3 PRO 17 HB1 PRO 17 8.927 -13.340 -6.906 127 HG2 PRO 17 HG2 PRO 17 8.880 -10.735 -5.975 128 HG3 PRO 17 HG1 PRO 17 7.726 -11.437 -7.117 129 HD2 PRO 17 HD2 PRO 17 7.377 -10.787 -4.258 130 HD3 PRO 17 HD1 PRO 17 6.173 -10.963 -5.539 131 H GLU 18 HN GLU 18 9.619 -15.491 -5.105 132 HA GLU 18 HA GLU 18 9.540 -16.193 -2.356 133 HB2 GLU 18 HB2 GLU 18 11.599 -16.816 -4.477 134 HB3 GLU 18 HB1 GLU 18 11.573 -17.532 -2.871 135 HG2 GLU 18 HG2 GLU 18 9.290 -18.399 -3.388 136 HG3 GLU 18 HG1 GLU 18 9.520 -17.838 -5.043 137 H GLY 19 HN GLY 19 10.866 -15.660 -0.689 138 HA2 GLY 19 HA2 GLY 19 12.831 -14.622 0.223 139 HA3 GLY 19 HA1 GLY 19 12.913 -13.605 -1.209 140 H TYR 20 HN TYR 20 9.840 -13.384 -0.850 141 HA TYR 20 HA TYR 20 9.938 -11.027 0.828 142 HB2 TYR 20 HB2 TYR 20 7.832 -12.264 -0.921 143 HB3 TYR 20 HB1 TYR 20 7.422 -10.986 0.217 144 HD1 TYR 20 HD2 TYR 20 9.624 -11.768 -2.678 145 HD2 TYR 20 HD1 TYR 20 7.755 -8.746 -0.342 146 HE1 TYR 20 HE2 TYR 20 10.297 -10.080 -4.331 147 HE2 TYR 20 HE1 TYR 20 8.422 -7.046 -1.986 148 HH TYR 20 HH TYR 20 9.613 -7.848 -5.075 149 H ASP 21 HN ASP 21 7.915 -10.749 2.302 150 HA ASP 21 HA ASP 21 7.595 -13.206 3.882 151 HB2 ASP 21 HB2 ASP 21 9.232 -11.744 4.977 152 HB3 ASP 21 HB1 ASP 21 8.069 -10.420 4.961 153 H ARG 22 HN ARG 22 5.541 -13.699 3.376 154 HA ARG 22 HA ARG 22 3.505 -11.611 3.769 155 HB2 ARG 22 HB2 ARG 22 3.436 -12.508 1.522 156 HB3 ARG 22 HB1 ARG 22 3.402 -14.154 2.133 157 HG2 ARG 22 HG2 ARG 22 1.206 -13.910 2.958 158 HG3 ARG 22 HG1 ARG 22 1.243 -12.161 2.743 159 HD2 ARG 22 HD2 ARG 22 -0.105 -13.225 1.024 160 HD3 ARG 22 HD1 ARG 22 1.311 -12.453 0.323 161 HE ARG 22 HE ARG 22 2.184 -14.545 -0.200 162 HH11 ARG 22 HH11 ARG 22 -0.835 -14.843 1.549 163 HH12 ARG 22 HH12 ARG 22 -1.079 -16.502 1.101 164 HH21 ARG 22 HH21 ARG 22 1.860 -16.726 -0.813 165 HH22 ARG 22 HH22 ARG 22 0.454 -17.572 -0.239 166 H SER 23 HN SER 23 1.690 -12.065 5.021 167 HA SER 23 HA SER 23 2.046 -14.293 6.890 168 HB2 SER 23 HB2 SER 23 0.421 -11.757 7.208 169 HB3 SER 23 HB1 SER 23 0.656 -12.995 8.440 170 HG SER 23 HG SER 23 2.929 -12.529 8.311 171 H2 PRO 24 HT1 PRO 24 -23.857 13.024 1.607 172 H3 PRO 24 HT2 PRO 24 -23.736 14.164 0.449 173 HA PRO 24 HA PRO 24 -24.205 15.657 1.823 174 HB2 PRO 24 HB2 PRO 24 -26.736 14.653 2.887 175 HB3 PRO 24 HB1 PRO 24 -26.400 16.135 1.980 176 HG2 PRO 24 HG2 PRO 24 -27.683 14.035 0.875 177 HG3 PRO 24 HG1 PRO 24 -26.614 15.097 -0.057 178 HD2 PRO 24 HD2 PRO 24 -26.061 12.373 1.078 179 HD3 PRO 24 HD1 PRO 24 -25.627 13.035 -0.506 180 H HIS 25 HN HIS 25 -25.896 13.073 3.627 181 HA HIS 25 HA HIS 25 -24.465 13.828 6.018 182 HB2 HIS 25 HB2 HIS 25 -26.856 13.177 6.107 183 HB3 HIS 25 HB1 HIS 25 -26.418 11.556 5.581 184 HD1 HIS 25 HD1 HIS 25 -26.058 9.918 7.410 185 HD2 HIS 25 HD2 HIS 25 -25.568 13.832 8.719 186 HE1 HIS 25 HE1 HIS 25 -25.669 9.759 9.888 187 HE2 HIS 25 HE2 HIS 25 -25.304 12.131 10.650 188 H GLU 26 HN GLU 26 -22.484 13.180 6.342 189 HA GLU 26 HA GLU 26 -20.666 11.867 6.647 190 HB2 GLU 26 HB2 GLU 26 -22.621 10.253 7.438 191 HB3 GLU 26 HB1 GLU 26 -22.150 9.359 6.001 192 HG2 GLU 26 HG2 GLU 26 -21.022 8.496 7.962 193 HG3 GLU 26 HG1 GLU 26 -19.862 9.205 6.842 194 H GLN 27 HN GLN 27 -20.154 9.335 5.215 195 HA GLN 27 HA GLN 27 -19.350 10.570 2.700 196 HB2 GLN 27 HB2 GLN 27 -18.515 7.984 4.013 197 HB3 GLN 27 HB1 GLN 27 -17.935 8.521 2.449 198 HG2 GLN 27 HG2 GLN 27 -16.244 9.047 3.985 199 HG3 GLN 27 HG1 GLN 27 -17.042 10.572 3.613 200 HE21 GLN 27 HE21 GLN 27 -18.109 11.661 5.215 201 HE22 GLN 27 HE22 GLN 27 -18.097 11.181 6.880 202 H GLN 28 HN GLN 28 -19.139 8.640 0.950 203 HA GLN 28 HA GLN 28 -21.866 7.920 0.333 204 HB2 GLN 28 HB2 GLN 28 -19.262 7.623 -1.128 205 HB3 GLN 28 HB1 GLN 28 -20.743 6.889 -1.723 206 HG2 GLN 28 HG2 GLN 28 -20.216 9.812 -1.289 207 HG3 GLN 28 HG1 GLN 28 -20.410 8.971 -2.825 208 HE21 GLN 28 HE21 GLN 28 -22.027 10.264 -0.042 209 HE22 GLN 28 HE22 GLN 28 -23.637 10.123 -0.658 210 H GLU 29 HN GLU 29 -21.601 5.602 -1.042 211 HA GLU 29 HA GLU 29 -21.388 3.698 1.200 212 HB2 GLU 29 HB2 GLU 29 -23.012 2.350 0.070 213 HB3 GLU 29 HB1 GLU 29 -23.603 4.005 0.062 214 HG2 GLU 29 HG2 GLU 29 -22.110 2.831 -2.257 215 HG3 GLU 29 HG1 GLU 29 -23.855 2.664 -2.079 216 H ASP 30 HN ASP 30 -19.816 4.598 -1.622 217 HA ASP 30 HA ASP 30 -18.921 1.953 -2.394 218 HB2 ASP 30 HB2 ASP 30 -17.692 3.067 -4.139 219 HB3 ASP 30 HB1 ASP 30 -19.279 3.824 -4.040 220 H VAL 31 HN VAL 31 -18.163 4.021 0.026 221 HA VAL 31 HA VAL 31 -15.389 4.331 -0.065 222 HB VAL 31 HB VAL 31 -17.141 4.259 2.391 223 HG11 VAL 31 HG11 VAL 31 -14.419 5.477 1.935 224 HG12 VAL 31 HG12 VAL 31 -14.782 4.075 2.942 225 HG13 VAL 31 HG13 VAL 31 -15.392 5.666 3.393 226 HG21 VAL 31 HG21 VAL 31 -17.235 6.696 2.143 227 HG22 VAL 31 HG22 VAL 31 -17.958 5.871 0.763 228 HG23 VAL 31 HG23 VAL 31 -16.345 6.571 0.625 229 HA PRO 32 HA PRO 32 -14.290 0.146 1.146 230 HB2 PRO 32 HB2 PRO 32 -11.756 0.278 0.261 231 HB3 PRO 32 HB1 PRO 32 -13.116 0.062 -0.847 232 HG2 PRO 32 HG2 PRO 32 -11.555 2.528 -0.214 233 HG3 PRO 32 HG1 PRO 32 -12.183 1.967 -1.774 234 HD2 PRO 32 HD2 PRO 32 -13.393 3.885 -0.197 235 HD3 PRO 32 HD1 PRO 32 -14.227 2.907 -1.417 236 H GLU 33 HN GLU 33 -13.653 -0.362 3.162 237 HA GLU 33 HA GLU 33 -12.111 1.579 4.674 238 HB2 GLU 33 HB2 GLU 33 -14.135 0.648 5.726 239 HB3 GLU 33 HB1 GLU 33 -13.453 -0.970 5.603 240 HG2 GLU 33 HG2 GLU 33 -11.658 -0.370 7.094 241 HG3 GLU 33 HG1 GLU 33 -12.233 1.295 7.162 242 H TYR 34 HN TYR 34 -10.079 1.377 3.969 243 HA TYR 34 HA TYR 34 -8.788 -1.198 3.842 244 HB2 TYR 34 HB2 TYR 34 -7.711 1.606 3.558 245 HB3 TYR 34 HB1 TYR 34 -6.745 0.152 3.355 246 HD1 TYR 34 HD2 TYR 34 -7.610 -1.540 1.568 247 HD2 TYR 34 HD1 TYR 34 -8.733 2.559 1.703 248 HE1 TYR 34 HE2 TYR 34 -8.236 -1.641 -0.803 249 HE2 TYR 34 HE1 TYR 34 -9.361 2.473 -0.672 250 HH TYR 34 HH TYR 34 -9.629 -0.486 -2.386 251 H GLU 35 HN GLU 35 -7.250 -1.961 5.231 252 HA GLU 35 HA GLU 35 -7.003 -0.549 7.797 253 HB2 GLU 35 HB2 GLU 35 -8.439 -2.648 7.808 254 HB3 GLU 35 HB1 GLU 35 -6.972 -3.549 7.445 255 HG2 GLU 35 HG2 GLU 35 -5.974 -2.842 9.522 256 HG3 GLU 35 HG1 GLU 35 -7.352 -1.802 9.868 257 H VAL 36 HN VAL 36 -5.022 0.119 8.083 258 HA VAL 36 HA VAL 36 -2.855 -1.027 6.500 259 HB VAL 36 HB VAL 36 -2.937 1.550 8.077 260 HG11 VAL 36 HG11 VAL 36 -0.908 2.137 6.846 261 HG12 VAL 36 HG12 VAL 36 -0.909 0.549 6.081 262 HG13 VAL 36 HG13 VAL 36 -0.670 0.688 7.823 263 HG21 VAL 36 HG21 VAL 36 -4.503 1.601 6.220 264 HG22 VAL 36 HG22 VAL 36 -3.236 1.070 5.114 265 HG23 VAL 36 HG23 VAL 36 -3.124 2.650 5.889 266 H LYS 37 HN LYS 37 -1.280 -2.193 7.365 267 HA LYS 37 HA LYS 37 -0.794 -1.997 10.270 268 HB2 LYS 37 HB2 LYS 37 -0.429 -4.477 8.567 269 HB3 LYS 37 HB1 LYS 37 -0.126 -4.350 10.290 270 HG2 LYS 37 HG2 LYS 37 -2.161 -5.455 10.164 271 HG3 LYS 37 HG1 LYS 37 -2.622 -3.783 10.485 272 HD2 LYS 37 HD2 LYS 37 -3.156 -3.427 8.168 273 HD3 LYS 37 HD1 LYS 37 -2.535 -5.018 7.736 274 HE2 LYS 37 HE2 LYS 37 -4.880 -4.516 9.558 275 HE3 LYS 37 HE1 LYS 37 -5.004 -4.922 7.849 276 HZ1 LYS 37 HZ1 LYS 37 -3.798 -7.005 8.371 277 HZ2 LYS 37 HZ2 LYS 37 -5.306 -6.890 9.120 278 HZ3 LYS 37 HZ3 LYS 37 -3.899 -6.622 10.015 279 H MET 38 HN MET 38 1.337 -1.691 10.845 280 HA MET 38 HA MET 38 3.247 -1.602 8.614 281 HB2 MET 38 HB2 MET 38 2.461 0.457 10.368 282 HB3 MET 38 HB1 MET 38 4.119 0.027 10.785 283 HG2 MET 38 HG2 MET 38 4.792 0.292 8.504 284 HG3 MET 38 HG1 MET 38 3.153 0.621 8.015 285 HE1 MET 38 HE1 MET 38 5.532 2.390 7.166 286 HE2 MET 38 HE2 MET 38 4.798 3.985 7.358 287 HE3 MET 38 HE3 MET 38 3.839 2.633 6.738 288 H LYS 39 HN LYS 39 5.017 -2.778 8.779 289 HA LYS 39 HA LYS 39 5.634 -3.975 11.405 290 HB2 LYS 39 HB2 LYS 39 4.442 -5.509 9.690 291 HB3 LYS 39 HB1 LYS 39 5.970 -5.493 8.826 292 HG2 LYS 39 HG2 LYS 39 5.685 -6.358 11.694 293 HG3 LYS 39 HG1 LYS 39 5.615 -7.459 10.325 294 HD2 LYS 39 HD2 LYS 39 7.878 -6.863 9.690 295 HD3 LYS 39 HD1 LYS 39 7.951 -5.672 10.990 296 HE2 LYS 39 HE2 LYS 39 7.585 -8.640 11.363 297 HE3 LYS 39 HE1 LYS 39 9.109 -7.774 11.552 298 HZ1 LYS 39 HZ1 LYS 39 8.120 -6.497 13.347 299 HZ2 LYS 39 HZ2 LYS 39 8.033 -8.153 13.674 300 HZ3 LYS 39 HZ3 LYS 39 6.653 -7.321 13.160 301 H ARG 40 HN ARG 40 7.637 -3.554 12.019 302 HA ARG 40 HA ARG 40 9.348 -2.219 10.080 303 HB2 ARG 40 HB2 ARG 40 9.331 -2.335 13.078 304 HB3 ARG 40 HB1 ARG 40 10.726 -1.724 12.201 305 HG2 ARG 40 HG2 ARG 40 9.385 0.136 12.841 306 HG3 ARG 40 HG1 ARG 40 9.234 -0.076 11.096 307 HD2 ARG 40 HD2 ARG 40 7.101 -1.242 11.434 308 HD3 ARG 40 HD1 ARG 40 7.245 -0.983 13.174 309 HE ARG 40 HE ARG 40 7.330 1.400 11.519 310 HH11 ARG 40 HH11 ARG 40 5.367 -0.746 13.468 311 HH12 ARG 40 HH12 ARG 40 4.128 0.434 13.739 312 HH21 ARG 40 HH21 ARG 40 5.694 2.954 11.874 313 HH22 ARG 40 HH22 ARG 40 4.315 2.540 12.842 314 H PHE 41 HN PHE 41 11.033 -3.074 9.189 315 HA PHE 41 HA PHE 41 12.158 -5.552 10.347 316 HB2 PHE 41 HB2 PHE 41 12.248 -4.512 7.509 317 HB3 PHE 41 HB1 PHE 41 13.155 -5.908 8.071 318 HD1 PHE 41 HD2 PHE 41 9.680 -4.603 7.926 319 HD2 PHE 41 HD1 PHE 41 12.234 -8.001 7.871 320 HE1 PHE 41 HE2 PHE 41 7.751 -6.037 7.467 321 HE2 PHE 41 HE1 PHE 41 10.299 -9.451 7.405 322 HZ PHE 41 HZ PHE 41 8.051 -8.470 7.202 323 H LYS 42 HN LYS 42 14.509 -5.856 9.946 324 HA LYS 42 HA LYS 42 16.078 -3.492 9.468 325 HB2 LYS 42 HB2 LYS 42 17.349 -3.544 11.523 326 HB3 LYS 42 HB1 LYS 42 15.651 -3.339 11.908 327 HG2 LYS 42 HG2 LYS 42 17.007 -6.015 12.008 328 HG3 LYS 42 HG1 LYS 42 16.999 -4.905 13.375 329 HD2 LYS 42 HD2 LYS 42 14.527 -4.924 13.334 330 HD3 LYS 42 HD1 LYS 42 14.582 -6.101 12.019 331 HE2 LYS 42 HE2 LYS 42 15.802 -7.654 13.473 332 HE3 LYS 42 HE1 LYS 42 15.722 -6.481 14.785 333 HZ1 LYS 42 HZ1 LYS 42 13.375 -7.750 13.482 334 HZ2 LYS 42 HZ2 LYS 42 13.326 -6.663 14.776 335 HZ3 LYS 42 HZ3 LYS 42 14.022 -8.190 14.979 336 H GLY 43 HN GLY 43 17.798 -4.034 8.309 337 HA2 GLY 43 HA2 GLY 43 19.524 -5.291 7.447 338 HA3 GLY 43 HA1 GLY 43 19.243 -6.472 8.717 339 H ALA 44 HN ALA 44 16.800 -5.384 6.434 340 HA ALA 44 HA ALA 44 16.924 -8.012 5.113 341 HB1 ALA 44 HB1 ALA 44 14.421 -6.535 5.921 342 HB2 ALA 44 HB2 ALA 44 15.057 -7.989 6.689 343 HB3 ALA 44 HB3 ALA 44 14.483 -8.051 5.022 344 H ALA 45 HN ALA 45 15.575 -7.938 3.010 345 HA ALA 45 HA ALA 45 16.626 -5.970 1.301 346 HB1 ALA 45 HB1 ALA 45 15.144 -6.892 -0.393 347 HB2 ALA 45 HB2 ALA 45 14.217 -7.729 0.854 348 HB3 ALA 45 HB3 ALA 45 15.891 -8.187 0.543 349 H TYR 46 HN TYR 46 13.893 -6.011 3.338 350 HA TYR 46 HA TYR 46 13.093 -3.368 2.393 351 HB2 TYR 46 HB2 TYR 46 10.719 -4.255 3.275 352 HB3 TYR 46 HB1 TYR 46 11.225 -4.428 1.599 353 HD1 TYR 46 HD2 TYR 46 11.479 -6.278 4.841 354 HD2 TYR 46 HD1 TYR 46 11.000 -6.494 0.620 355 HE1 TYR 46 HE2 TYR 46 11.210 -8.715 5.005 356 HE2 TYR 46 HE1 TYR 46 10.739 -8.936 0.770 357 HH TYR 46 HH TYR 46 10.323 -10.558 3.782 358 H LYS 47 HN LYS 47 12.512 -1.947 4.002 359 HA LYS 47 HA LYS 47 13.443 -2.760 6.665 360 HB2 LYS 47 HB2 LYS 47 13.095 -0.043 5.386 361 HB3 LYS 47 HB1 LYS 47 13.481 -0.260 7.082 362 HG2 LYS 47 HG2 LYS 47 15.496 0.234 5.901 363 HG3 LYS 47 HG1 LYS 47 15.552 -1.452 6.413 364 HD2 LYS 47 HD2 LYS 47 16.380 -1.303 4.162 365 HD3 LYS 47 HD1 LYS 47 14.811 -2.110 4.132 366 HE2 LYS 47 HE2 LYS 47 13.793 0.123 3.577 367 HE3 LYS 47 HE1 LYS 47 15.432 0.738 3.380 368 HZ1 LYS 47 HZ1 LYS 47 14.081 -1.373 1.799 369 HZ2 LYS 47 HZ2 LYS 47 15.748 -1.083 1.711 370 HZ3 LYS 47 HZ3 LYS 47 14.655 0.123 1.247 371 H LEU 48 HN LEU 48 10.650 -1.926 4.899 372 HA LEU 48 HA LEU 48 9.073 -2.154 7.338 373 HB2 LEU 48 HB2 LEU 48 9.546 0.310 6.335 374 HB3 LEU 48 HB1 LEU 48 8.145 -0.129 5.381 375 HG LEU 48 HG LEU 48 7.200 1.007 7.169 376 HD11 LEU 48 HD11 LEU 48 5.993 -1.006 7.004 377 HD12 LEU 48 HD12 LEU 48 6.265 -0.735 8.729 378 HD13 LEU 48 HD13 LEU 48 7.252 -1.904 7.854 379 HD21 LEU 48 HD21 LEU 48 7.834 0.691 9.501 380 HD22 LEU 48 HD22 LEU 48 9.180 1.282 8.519 381 HD23 LEU 48 HD23 LEU 48 9.109 -0.419 8.995 382 H ARG 49 HN ARG 49 7.352 -3.435 7.062 383 HA ARG 49 HA ARG 49 6.378 -3.942 4.322 384 HB2 ARG 49 HB2 ARG 49 7.234 -5.951 5.572 385 HB3 ARG 49 HB1 ARG 49 5.965 -5.682 6.760 386 HG2 ARG 49 HG2 ARG 49 4.308 -5.903 4.890 387 HG3 ARG 49 HG1 ARG 49 5.648 -6.430 3.870 388 HD2 ARG 49 HD2 ARG 49 4.749 -8.432 4.630 389 HD3 ARG 49 HD1 ARG 49 6.094 -8.155 5.735 390 HE ARG 49 HE ARG 49 3.900 -7.012 6.940 391 HH11 ARG 49 HH11 ARG 49 4.855 -10.211 5.884 392 HH12 ARG 49 HH12 ARG 49 3.798 -11.029 6.996 393 HH21 ARG 49 HH21 ARG 49 2.487 -8.105 8.396 394 HH22 ARG 49 HH22 ARG 49 2.459 -9.842 8.404 395 H ILE 50 HN ILE 50 4.592 -2.802 3.935 396 HA ILE 50 HA ILE 50 2.818 -2.192 6.212 397 HB ILE 50 HB ILE 50 2.903 -0.695 3.580 398 HG12 ILE 50 HG12 ILE 50 3.920 1.167 4.960 399 HG13 ILE 50 HG11 ILE 50 4.212 -0.021 6.222 400 HG21 ILE 50 HG21 ILE 50 1.588 0.972 4.770 401 HG22 ILE 50 HG22 ILE 50 1.619 -0.033 6.218 402 HG23 ILE 50 HG23 ILE 50 0.781 -0.598 4.771 403 HD11 ILE 50 HD11 ILE 50 5.730 -1.216 4.819 404 HD12 ILE 50 HD12 ILE 50 6.185 0.490 4.836 405 HD13 ILE 50 HD13 ILE 50 5.341 -0.183 3.439 406 H LEU 51 HN LEU 51 0.847 -2.989 6.209 407 HA LEU 51 HA LEU 51 -0.030 -4.486 3.834 408 HB2 LEU 51 HB2 LEU 51 -0.046 -5.062 6.714 409 HB3 LEU 51 HB1 LEU 51 -1.556 -5.423 5.904 410 HG LEU 51 HG LEU 51 -0.077 -7.381 6.061 411 HD11 LEU 51 HD11 LEU 51 -1.698 -7.199 4.248 412 HD12 LEU 51 HD12 LEU 51 -0.249 -8.063 3.736 413 HD13 LEU 51 HD13 LEU 51 -0.493 -6.386 3.249 414 HD21 LEU 51 HD21 LEU 51 1.754 -5.790 4.269 415 HD22 LEU 51 HD22 LEU 51 1.951 -7.488 4.705 416 HD23 LEU 51 HD23 LEU 51 2.075 -6.240 5.945 417 H ILE 52 HN ILE 52 -1.628 -3.553 2.769 418 HA ILE 52 HA ILE 52 -3.674 -2.124 4.336 419 HB ILE 52 HB ILE 52 -2.860 -1.427 1.509 420 HG12 ILE 52 HG12 ILE 52 -2.162 0.772 2.837 421 HG13 ILE 52 HG11 ILE 52 -1.934 -0.383 4.151 422 HG21 ILE 52 HG21 ILE 52 -5.185 -0.946 2.053 423 HG22 ILE 52 HG22 ILE 52 -4.259 0.543 1.848 424 HG23 ILE 52 HG23 ILE 52 -4.670 -0.025 3.467 425 HD11 ILE 52 HD11 ILE 52 -0.349 -1.625 2.842 426 HD12 ILE 52 HD12 ILE 52 0.126 0.074 2.904 427 HD13 ILE 52 HD13 ILE 52 -0.630 -0.578 1.450 428 H GLU 53 HN GLU 53 -5.303 -3.553 4.409 429 HA GLU 53 HA GLU 53 -6.050 -4.858 1.878 430 HB2 GLU 53 HB2 GLU 53 -6.959 -6.683 3.127 431 HB3 GLU 53 HB1 GLU 53 -5.333 -6.383 3.720 432 HG2 GLU 53 HG2 GLU 53 -6.337 -5.088 5.592 433 HG3 GLU 53 HG1 GLU 53 -7.921 -5.619 5.036 434 H ASN 54 HN ASN 54 -8.281 -5.132 1.455 435 HA ASN 54 HA ASN 54 -9.839 -2.826 2.375 436 HB2 ASN 54 HB2 ASN 54 -9.434 -3.404 -0.112 437 HB3 ASN 54 HB1 ASN 54 -10.584 -4.706 0.154 438 HD21 ASN 54 HD21 ASN 54 -12.197 -3.094 2.025 439 HD22 ASN 54 HD22 ASN 54 -13.083 -1.996 1.028 440 H LYS 55 HN LYS 55 -11.125 -3.229 4.046 441 HA LYS 55 HA LYS 55 -12.821 -5.617 3.932 442 HB2 LYS 55 HB2 LYS 55 -12.517 -5.669 6.511 443 HB3 LYS 55 HB1 LYS 55 -11.265 -6.372 5.495 444 HG2 LYS 55 HG2 LYS 55 -9.812 -4.559 5.834 445 HG3 LYS 55 HG1 LYS 55 -11.103 -3.532 6.461 446 HD2 LYS 55 HD2 LYS 55 -10.204 -6.048 7.847 447 HD3 LYS 55 HD1 LYS 55 -9.475 -4.473 8.164 448 HE2 LYS 55 HE2 LYS 55 -11.703 -3.598 8.766 449 HE3 LYS 55 HE1 LYS 55 -12.380 -5.206 8.519 450 HZ1 LYS 55 HZ1 LYS 55 -10.281 -4.510 10.501 451 HZ2 LYS 55 HZ2 LYS 55 -10.972 -6.042 10.281 452 HZ3 LYS 55 HZ3 LYS 55 -11.919 -4.765 10.853 453 H ALA 56 HN ALA 56 -14.539 -4.212 3.271 454 HA ALA 56 HA ALA 56 -15.716 -2.927 5.635 455 HB1 ALA 56 HB1 ALA 56 -14.869 -1.115 4.275 456 HB2 ALA 56 HB2 ALA 56 -16.629 -1.125 4.220 457 HB3 ALA 56 HB3 ALA 56 -15.703 -1.755 2.863 458 HA PRO 57 HA PRO 57 -19.548 -5.011 4.556 459 HB2 PRO 57 HB2 PRO 57 -21.336 -2.934 4.752 460 HB3 PRO 57 HB1 PRO 57 -20.718 -3.835 6.142 461 HG2 PRO 57 HG2 PRO 57 -19.759 -1.230 4.999 462 HG3 PRO 57 HG1 PRO 57 -20.077 -1.648 6.700 463 HD2 PRO 57 HD2 PRO 57 -17.590 -1.644 5.790 464 HD3 PRO 57 HD1 PRO 57 -18.139 -2.964 6.844 465 H ASN 58 HN ASN 58 -18.957 -1.834 3.154 466 HA ASN 58 HA ASN 58 -19.893 -2.826 0.564 467 HB2 ASN 58 HB2 ASN 58 -20.754 -0.222 1.842 468 HB3 ASN 58 HB1 ASN 58 -21.072 -0.669 0.170 469 HD21 ASN 58 HD21 ASN 58 -21.819 -1.307 3.502 470 HD22 ASN 58 HD22 ASN 58 -23.240 -2.248 3.216 471 H SER 59 HN SER 59 -17.835 -2.926 -0.189 472 HA SER 59 HA SER 59 -16.453 -0.346 -0.533 473 HB2 SER 59 HB2 SER 59 -15.334 -3.134 -0.232 474 HB3 SER 59 HB1 SER 59 -14.369 -1.773 -0.787 475 HG SER 59 HG SER 59 -15.715 -1.073 1.404 476 H LYS 60 HN LYS 60 -16.058 0.329 -2.520 477 HA LYS 60 HA LYS 60 -16.289 -1.581 -4.742 478 HB2 LYS 60 HB2 LYS 60 -17.582 1.142 -4.562 479 HB3 LYS 60 HB1 LYS 60 -17.464 0.213 -6.051 480 HG2 LYS 60 HG2 LYS 60 -18.932 -0.616 -3.555 481 HG3 LYS 60 HG1 LYS 60 -19.665 0.007 -5.034 482 HD2 LYS 60 HD2 LYS 60 -18.793 -1.922 -6.271 483 HD3 LYS 60 HD1 LYS 60 -18.062 -2.540 -4.788 484 HE2 LYS 60 HE2 LYS 60 -20.134 -3.695 -5.188 485 HE3 LYS 60 HE1 LYS 60 -20.311 -2.660 -3.774 486 HZ1 LYS 60 HZ1 LYS 60 -21.255 -2.001 -6.512 487 HZ2 LYS 60 HZ2 LYS 60 -21.459 -1.040 -5.135 488 HZ3 LYS 60 HZ3 LYS 60 -22.233 -2.540 -5.238 489 HA PRO 61 HA PRO 61 -12.472 1.007 -5.207 490 HB2 PRO 61 HB2 PRO 61 -10.711 -1.022 -5.351 491 HB3 PRO 61 HB1 PRO 61 -11.258 -0.360 -3.808 492 HG2 PRO 61 HG2 PRO 61 -12.131 -2.846 -5.219 493 HG3 PRO 61 HG1 PRO 61 -11.838 -2.581 -3.493 494 HD2 PRO 61 HD2 PRO 61 -14.324 -2.594 -4.650 495 HD3 PRO 61 HD1 PRO 61 -13.928 -1.743 -3.146 496 H ASP 62 HN ASP 62 -11.456 1.428 -7.102 497 HA ASP 62 HA ASP 62 -12.321 -0.118 -9.450 498 HB2 ASP 62 HB2 ASP 62 -11.408 2.733 -9.126 499 HB3 ASP 62 HB1 ASP 62 -11.507 1.954 -10.700 500 H ARG 63 HN ARG 63 -9.494 1.870 -8.653 501 HA ARG 63 HA ARG 63 -7.682 -0.316 -9.071 502 HB2 ARG 63 HB2 ARG 63 -6.515 0.792 -10.970 503 HB3 ARG 63 HB1 ARG 63 -8.132 0.229 -11.378 504 HG2 ARG 63 HG2 ARG 63 -8.572 2.805 -10.537 505 HG3 ARG 63 HG1 ARG 63 -7.032 2.918 -11.392 506 HD2 ARG 63 HD2 ARG 63 -8.653 3.268 -13.038 507 HD3 ARG 63 HD1 ARG 63 -8.164 1.593 -13.244 508 HE ARG 63 HE ARG 63 -10.677 2.500 -12.025 509 HH11 ARG 63 HH11 ARG 63 -8.751 0.005 -13.560 510 HH12 ARG 63 HH12 ARG 63 -10.095 -1.066 -13.782 511 HH21 ARG 63 HH21 ARG 63 -12.453 1.081 -12.327 512 HH22 ARG 63 HH22 ARG 63 -12.192 -0.461 -13.078 513 H PHE 64 HN PHE 64 -5.353 0.574 -8.976 514 HA PHE 64 HA PHE 64 -5.331 2.822 -7.083 515 HB2 PHE 64 HB2 PHE 64 -3.436 0.484 -7.198 516 HB3 PHE 64 HB1 PHE 64 -3.311 1.835 -6.095 517 HD1 PHE 64 HD2 PHE 64 -5.246 -1.179 -6.925 518 HD2 PHE 64 HD1 PHE 64 -4.649 1.996 -4.172 519 HE1 PHE 64 HE2 PHE 64 -6.641 -2.360 -5.274 520 HE2 PHE 64 HE1 PHE 64 -6.035 0.829 -2.507 521 HZ PHE 64 HZ PHE 64 -7.038 -1.355 -3.059 522 H SER 65 HN SER 65 -3.783 4.301 -7.245 523 HA SER 65 HA SER 65 -1.671 3.995 -9.217 524 HB2 SER 65 HB2 SER 65 -3.556 5.243 -10.323 525 HB3 SER 65 HB1 SER 65 -3.378 6.498 -9.100 526 HG SER 65 HG SER 65 -0.997 5.888 -10.244 527 HA PRO 66 HA PRO 66 -0.239 5.709 -5.190 528 HB2 PRO 66 HB2 PRO 66 1.749 3.948 -4.782 529 HB3 PRO 66 HB1 PRO 66 0.070 3.565 -4.385 530 HG2 PRO 66 HG2 PRO 66 1.674 2.772 -6.778 531 HG3 PRO 66 HG1 PRO 66 0.554 1.799 -5.807 532 HD2 PRO 66 HD2 PRO 66 -0.117 2.945 -8.197 533 HD3 PRO 66 HD1 PRO 66 -1.290 2.593 -6.910 534 H SER 67 HN SER 67 1.700 6.796 -4.698 535 HA SER 67 HA SER 67 3.855 6.887 -6.592 536 HB2 SER 67 HB2 SER 67 2.171 9.377 -6.262 537 HB3 SER 67 HB1 SER 67 3.640 9.221 -7.222 538 HG SER 67 HG SER 67 1.831 7.334 -7.904 539 H TYR 68 HN TYR 68 5.675 7.884 -5.772 540 HA TYR 68 HA TYR 68 5.518 8.457 -2.897 541 HB2 TYR 68 HB2 TYR 68 6.908 6.543 -3.356 542 HB3 TYR 68 HB1 TYR 68 7.790 7.421 -4.599 543 HD1 TYR 68 HD1 TYR 68 6.966 7.756 -0.964 544 HD2 TYR 68 HD2 TYR 68 9.862 8.224 -4.046 545 HE1 TYR 68 HE1 TYR 68 8.614 8.471 0.711 546 HE2 TYR 68 HE2 TYR 68 11.517 8.950 -2.376 547 HH TYR 68 HH TYR 68 11.035 8.580 0.977 548 H ASN 69 HN ASN 69 5.675 10.492 -2.370 549 HA ASN 69 HA ASN 69 7.160 12.318 -4.113 550 HB2 ASN 69 HB2 ASN 69 6.101 14.054 -2.473 551 HB3 ASN 69 HB1 ASN 69 5.112 13.318 -3.726 552 HD21 ASN 69 HD21 ASN 69 5.732 13.546 -0.347 553 HD22 ASN 69 HD22 ASN 69 4.313 12.713 0.182 554 H PHE 70 HN PHE 70 9.191 12.657 -3.656 555 HA PHE 70 HA PHE 70 10.472 11.746 -1.312 556 HB2 PHE 70 HB2 PHE 70 11.401 13.688 -3.438 557 HB3 PHE 70 HB1 PHE 70 12.436 13.064 -2.163 558 HD1 PHE 70 HD2 PHE 70 10.451 12.108 -5.128 559 HD2 PHE 70 HD1 PHE 70 13.462 10.961 -2.351 560 HE1 PHE 70 HE2 PHE 70 11.017 10.181 -6.541 561 HE2 PHE 70 HE1 PHE 70 14.036 9.029 -3.763 562 HZ PHE 70 HZ PHE 70 12.811 8.636 -5.862 563 H ALA 71 HN ALA 71 9.109 14.795 -2.246 564 HA ALA 71 HA ALA 71 10.338 16.576 -0.538 565 HB1 ALA 71 HB1 ALA 71 7.439 16.552 -1.351 566 HB2 ALA 71 HB2 ALA 71 8.768 17.200 -2.308 567 HB3 ALA 71 HB3 ALA 71 8.346 17.947 -0.767 568 H GLU 72 HN GLU 72 7.432 14.636 0.097 569 HA GLU 72 HA GLU 72 7.596 15.392 2.931 570 HB2 GLU 72 HB2 GLU 72 5.338 13.857 1.688 571 HB3 GLU 72 HB1 GLU 72 5.323 14.852 3.133 572 HG2 GLU 72 HG2 GLU 72 5.755 16.001 0.403 573 HG3 GLU 72 HG1 GLU 72 4.150 15.775 1.097 574 H ASN 73 HN ASN 73 8.758 13.130 0.997 575 HA ASN 73 HA ASN 73 9.232 10.920 0.968 576 HB2 ASN 73 HB2 ASN 73 10.122 10.004 3.151 577 HB3 ASN 73 HB1 ASN 73 10.881 11.481 2.577 578 HD21 ASN 73 HD21 ASN 73 8.706 10.106 4.937 579 HD22 ASN 73 HD22 ASN 73 8.761 11.440 6.038 580 H ILE 74 HN ILE 74 6.595 11.188 0.777 581 HA ILE 74 HA ILE 74 5.551 9.016 2.476 582 HB ILE 74 HB ILE 74 4.126 11.493 1.506 583 HG12 ILE 74 HG12 ILE 74 4.383 10.486 4.327 584 HG13 ILE 74 HG11 ILE 74 5.641 11.472 3.591 585 HG21 ILE 74 HG21 ILE 74 2.624 9.599 1.266 586 HG22 ILE 74 HG22 ILE 74 2.122 10.608 2.623 587 HG23 ILE 74 HG23 ILE 74 2.971 9.092 2.919 588 HD11 ILE 74 HD11 ILE 74 4.161 12.824 4.918 589 HD12 ILE 74 HD12 ILE 74 2.770 12.258 3.993 590 HD13 ILE 74 HD13 ILE 74 4.010 13.243 3.212 591 H LEU 75 HN LEU 75 4.490 7.396 1.498 592 HA LEU 75 HA LEU 75 4.276 7.459 -1.433 593 HB2 LEU 75 HB2 LEU 75 5.708 5.705 -0.428 594 HB3 LEU 75 HB1 LEU 75 4.349 5.132 0.510 595 HG LEU 75 HG LEU 75 5.062 3.814 -1.585 596 HD11 LEU 75 HD11 LEU 75 2.752 3.188 -2.086 597 HD12 LEU 75 HD12 LEU 75 2.182 4.607 -1.205 598 HD13 LEU 75 HD13 LEU 75 3.036 3.321 -0.351 599 HD21 LEU 75 HD21 LEU 75 4.041 4.527 -3.671 600 HD22 LEU 75 HD22 LEU 75 5.208 5.719 -3.101 601 HD23 LEU 75 HD23 LEU 75 3.482 6.012 -2.902 602 H TYR 76 HN TYR 76 2.256 8.250 -1.892 603 HA TYR 76 HA TYR 76 0.044 7.430 -0.192 604 HB2 TYR 76 HB2 TYR 76 -1.172 9.201 -1.015 605 HB3 TYR 76 HB1 TYR 76 0.456 9.827 -1.196 606 HD1 TYR 76 HD1 TYR 76 -2.468 8.490 -2.959 607 HD2 TYR 76 HD2 TYR 76 1.380 10.252 -3.386 608 HE1 TYR 76 HE1 TYR 76 -2.948 8.943 -5.320 609 HE2 TYR 76 HE2 TYR 76 0.908 10.711 -5.757 610 HH TYR 76 HH TYR 76 -0.586 9.792 -7.553 611 H ILE 77 HN ILE 77 -1.624 6.152 -0.809 612 HA ILE 77 HA ILE 77 -1.009 4.361 -3.024 613 HB ILE 77 HB ILE 77 -2.989 4.149 -0.755 614 HG12 ILE 77 HG12 ILE 77 -0.607 3.849 -0.150 615 HG13 ILE 77 HG11 ILE 77 -1.544 2.374 0.065 616 HG21 ILE 77 HG21 ILE 77 -2.425 2.183 -2.969 617 HG22 ILE 77 HG22 ILE 77 -3.928 3.065 -2.695 618 HG23 ILE 77 HG23 ILE 77 -3.397 1.847 -1.534 619 HD11 ILE 77 HD11 ILE 77 -0.677 1.541 -2.074 620 HD12 ILE 77 HD12 ILE 77 0.601 1.869 -0.903 621 HD13 ILE 77 HD13 ILE 77 0.305 2.999 -2.224 622 H ASN 78 HN ASN 78 -3.674 6.339 -1.819 623 HA ASN 78 HA ASN 78 -4.793 6.524 -4.491 624 HB2 ASN 78 HB2 ASN 78 -5.704 4.466 -3.043 625 HB3 ASN 78 HB1 ASN 78 -6.692 5.728 -2.318 626 HD21 ASN 78 HD21 ASN 78 -6.035 3.875 -5.157 627 HD22 ASN 78 HD22 ASN 78 -7.440 4.338 -6.045 628 H GLY 79 HN GLY 79 -6.959 7.950 -4.161 629 HA2 GLY 79 HA2 GLY 79 -6.102 10.324 -2.778 630 HA3 GLY 79 HA1 GLY 79 -7.624 10.105 -3.632 631 H LYS 80 HN LYS 80 -7.277 7.551 -1.604 632 HA LYS 80 HA LYS 80 -9.129 8.741 0.309 633 HB2 LYS 80 HB2 LYS 80 -8.558 5.809 -0.012 634 HB3 LYS 80 HB1 LYS 80 -10.029 6.591 0.567 635 HG2 LYS 80 HG2 LYS 80 -10.414 7.492 -1.688 636 HG3 LYS 80 HG1 LYS 80 -8.972 6.642 -2.247 637 HD2 LYS 80 HD2 LYS 80 -9.975 4.525 -1.773 638 HD3 LYS 80 HD1 LYS 80 -11.385 5.304 -1.045 639 HE2 LYS 80 HE2 LYS 80 -11.793 6.413 -3.259 640 HE3 LYS 80 HE1 LYS 80 -10.517 5.404 -3.933 641 HZ1 LYS 80 HZ1 LYS 80 -11.807 3.450 -3.284 642 HZ2 LYS 80 HZ2 LYS 80 -12.660 4.438 -4.356 643 HZ3 LYS 80 HZ3 LYS 80 -13.045 4.451 -2.710 644 H LEU 81 HN LEU 81 -6.048 7.039 0.105 645 HA LEU 81 HA LEU 81 -5.391 7.998 2.720 646 HB2 LEU 81 HB2 LEU 81 -4.622 5.679 3.482 647 HB3 LEU 81 HB1 LEU 81 -6.314 6.097 3.623 648 HG LEU 81 HG LEU 81 -6.827 4.739 1.640 649 HD11 LEU 81 HD11 LEU 81 -3.916 3.958 1.691 650 HD12 LEU 81 HD12 LEU 81 -4.668 4.992 0.478 651 HD13 LEU 81 HD13 LEU 81 -5.164 3.305 0.627 652 HD21 LEU 81 HD21 LEU 81 -6.971 3.703 3.797 653 HD22 LEU 81 HD22 LEU 81 -5.241 3.364 3.795 654 HD23 LEU 81 HD23 LEU 81 -6.299 2.545 2.648 655 H SER 82 HN SER 82 -3.197 7.863 3.279 656 HA SER 82 HA SER 82 -1.398 7.108 1.084 657 HB2 SER 82 HB2 SER 82 -0.014 9.123 1.723 658 HB3 SER 82 HB1 SER 82 -1.575 9.507 0.999 659 HG SER 82 HG SER 82 -1.820 10.679 2.725 660 H ILE 83 HN ILE 83 0.731 6.444 1.761 661 HA ILE 83 HA ILE 83 0.819 5.630 4.593 662 HB ILE 83 HB ILE 83 2.186 4.335 2.227 663 HG12 ILE 83 HG12 ILE 83 -0.228 3.935 2.208 664 HG13 ILE 83 HG11 ILE 83 0.634 2.459 2.624 665 HG21 ILE 83 HG21 ILE 83 2.813 2.572 3.803 666 HG22 ILE 83 HG22 ILE 83 2.085 3.491 5.120 667 HG23 ILE 83 HG23 ILE 83 3.493 4.129 4.272 668 HD11 ILE 83 HD11 ILE 83 -1.334 2.689 3.996 669 HD12 ILE 83 HD12 ILE 83 -0.810 4.285 4.533 670 HD13 ILE 83 HD13 ILE 83 0.109 2.853 4.996 671 HA PRO 84 HA PRO 84 4.283 8.526 4.434 672 HB2 PRO 84 HB2 PRO 84 4.296 9.138 7.048 673 HB3 PRO 84 HB1 PRO 84 3.100 9.808 5.936 674 HG2 PRO 84 HG2 PRO 84 2.821 7.583 7.904 675 HG3 PRO 84 HG1 PRO 84 1.656 8.844 7.464 676 HD2 PRO 84 HD2 PRO 84 1.623 6.245 6.507 677 HD3 PRO 84 HD1 PRO 84 0.842 7.628 5.716 678 H LEU 85 HN LEU 85 6.394 8.124 4.639 679 HA LEU 85 HA LEU 85 7.183 5.717 6.128 680 HB2 LEU 85 HB2 LEU 85 8.596 7.202 3.906 681 HB3 LEU 85 HB1 LEU 85 9.253 5.810 4.738 682 HG LEU 85 HG LEU 85 8.442 4.934 2.742 683 HD11 LEU 85 HD11 LEU 85 7.686 3.629 4.647 684 HD12 LEU 85 HD12 LEU 85 6.527 3.547 3.321 685 HD13 LEU 85 HD13 LEU 85 6.198 4.573 4.715 686 HD21 LEU 85 HD21 LEU 85 5.933 6.560 3.099 687 HD22 LEU 85 HD22 LEU 85 6.273 5.456 1.766 688 HD23 LEU 85 HD23 LEU 85 7.248 6.910 1.977 689 HA PRO 86 HA PRO 86 9.497 8.177 9.021 690 HB2 PRO 86 HB2 PRO 86 11.501 6.418 9.599 691 HB3 PRO 86 HB1 PRO 86 9.884 6.322 10.295 692 HG2 PRO 86 HG2 PRO 86 11.067 4.791 8.031 693 HG3 PRO 86 HG1 PRO 86 9.987 4.225 9.318 694 HD2 PRO 86 HD2 PRO 86 9.120 4.761 6.807 695 HD3 PRO 86 HD1 PRO 86 8.101 5.002 8.242 696 H ARG 87 HN ARG 87 11.111 9.615 8.857 697 HA ARG 87 HA ARG 87 12.404 9.904 6.374 698 HB2 ARG 87 HB2 ARG 87 11.801 11.537 8.599 699 HB3 ARG 87 HB1 ARG 87 13.544 11.614 8.376 700 HG2 ARG 87 HG2 ARG 87 11.422 12.253 6.344 701 HG3 ARG 87 HG1 ARG 87 12.543 13.378 7.121 702 HD2 ARG 87 HD2 ARG 87 14.403 12.427 6.014 703 HD3 ARG 87 HD1 ARG 87 13.452 11.047 5.472 704 HE ARG 87 HE ARG 87 12.705 13.705 4.507 705 HH11 ARG 87 HH11 ARG 87 14.179 10.597 3.865 706 HH12 ARG 87 HH12 ARG 87 14.060 10.756 2.144 707 HH21 ARG 87 HH21 ARG 87 12.534 13.909 2.243 708 HH22 ARG 87 HH22 ARG 87 13.116 12.632 1.219 709 H ASP 88 HN ASP 88 13.178 7.977 8.930 710 HA ASP 88 HA ASP 88 16.045 8.333 8.837 711 HB2 ASP 88 HB2 ASP 88 14.945 7.648 10.933 712 HB3 ASP 88 HB1 ASP 88 14.390 6.169 10.155 713 H ILE 89 HN ILE 89 13.742 6.827 6.959 714 HA ILE 89 HA ILE 89 15.650 4.825 5.968 715 HB ILE 89 HB ILE 89 12.664 4.956 5.533 716 HG12 ILE 89 HG12 ILE 89 14.319 3.156 7.313 717 HG13 ILE 89 HG11 ILE 89 13.243 4.436 7.859 718 HG21 ILE 89 HG21 ILE 89 12.906 2.716 4.594 719 HG22 ILE 89 HG22 ILE 89 14.651 2.799 4.820 720 HG23 ILE 89 HG23 ILE 89 13.857 3.888 3.683 721 HD11 ILE 89 HD11 ILE 89 12.446 1.924 6.419 722 HD12 ILE 89 HD12 ILE 89 11.349 3.224 6.885 723 HD13 ILE 89 HD13 ILE 89 12.190 2.292 8.124 724 H VAL 90 HN VAL 90 16.473 5.035 4.013 725 HA VAL 90 HA VAL 90 15.713 7.271 2.341 726 HB VAL 90 HB VAL 90 17.740 5.083 1.811 727 HG11 VAL 90 HG11 VAL 90 18.623 6.621 0.113 728 HG12 VAL 90 HG12 VAL 90 17.297 7.737 0.444 729 HG13 VAL 90 HG13 VAL 90 16.962 6.144 -0.234 730 HG21 VAL 90 HG21 VAL 90 19.414 6.765 2.440 731 HG22 VAL 90 HG22 VAL 90 18.335 6.377 3.780 732 HG23 VAL 90 HG23 VAL 90 18.119 7.878 2.880 733 H VAL 91 HN VAL 91 14.001 7.090 1.077 734 HA VAL 91 HA VAL 91 13.296 4.425 0.041 735 HB VAL 91 HB VAL 91 11.415 6.705 0.685 736 HG11 VAL 91 HG11 VAL 91 10.615 5.311 -1.136 737 HG12 VAL 91 HG12 VAL 91 9.639 5.073 0.314 738 HG13 VAL 91 HG13 VAL 91 10.844 3.870 -0.147 739 HG21 VAL 91 HG21 VAL 91 11.907 4.132 2.175 740 HG22 VAL 91 HG22 VAL 91 10.641 5.304 2.543 741 HG23 VAL 91 HG23 VAL 91 12.337 5.753 2.721 742 H ASN 92 HN ASN 92 13.077 4.187 -2.062 743 HA ASN 92 HA ASN 92 12.612 6.505 -3.776 744 HB2 ASN 92 HB2 ASN 92 14.357 5.039 -5.307 745 HB3 ASN 92 HB1 ASN 92 14.765 6.516 -4.444 746 HD21 ASN 92 HD21 ASN 92 14.665 3.019 -4.136 747 HD22 ASN 92 HD22 ASN 92 16.021 2.892 -3.069 748 H ALA 93 HN ALA 93 12.040 5.818 -5.998 749 HA ALA 93 HA ALA 93 9.853 4.055 -5.850 750 HB1 ALA 93 HB1 ALA 93 9.584 4.506 -8.219 751 HB2 ALA 93 HB2 ALA 93 11.211 5.184 -8.291 752 HB3 ALA 93 HB3 ALA 93 9.961 5.989 -7.340 753 H ALA 94 HN ALA 94 13.146 3.495 -6.481 754 HA ALA 94 HA ALA 94 12.737 1.040 -7.973 755 HB1 ALA 94 HB1 ALA 94 15.265 2.207 -6.811 756 HB2 ALA 94 HB2 ALA 94 14.674 2.462 -8.454 757 HB3 ALA 94 HB3 ALA 94 15.168 0.850 -7.934 758 H ASP 95 HN ASP 95 12.781 1.991 -4.739 759 HA ASP 95 HA ASP 95 13.624 -0.661 -3.773 760 HB2 ASP 95 HB2 ASP 95 14.735 1.496 -2.959 761 HB3 ASP 95 HB1 ASP 95 13.224 1.837 -2.128 762 H ILE 96 HN ILE 96 11.029 1.544 -4.065 763 HA ILE 96 HA ILE 96 9.245 0.409 -2.153 764 HB ILE 96 HB ILE 96 8.856 2.200 -4.549 765 HG12 ILE 96 HG12 ILE 96 8.576 2.870 -1.627 766 HG13 ILE 96 HG11 ILE 96 10.110 2.995 -2.488 767 HG21 ILE 96 HG21 ILE 96 6.592 2.638 -3.759 768 HG22 ILE 96 HG22 ILE 96 6.804 1.463 -2.458 769 HG23 ILE 96 HG23 ILE 96 6.796 0.927 -4.138 770 HD11 ILE 96 HD11 ILE 96 9.182 4.615 -3.991 771 HD12 ILE 96 HD12 ILE 96 8.906 5.131 -2.327 772 HD13 ILE 96 HD13 ILE 96 7.587 4.429 -3.263 773 H LYS 97 HN LYS 97 8.442 -1.569 -2.310 774 HA LYS 97 HA LYS 97 7.873 -2.679 -4.982 775 HB2 LYS 97 HB2 LYS 97 7.963 -4.293 -2.446 776 HB3 LYS 97 HB1 LYS 97 8.201 -4.829 -4.098 777 HG2 LYS 97 HG2 LYS 97 10.116 -3.153 -2.493 778 HG3 LYS 97 HG1 LYS 97 10.279 -4.872 -2.841 779 HD2 LYS 97 HD2 LYS 97 10.215 -2.684 -4.919 780 HD3 LYS 97 HD1 LYS 97 11.677 -3.443 -4.296 781 HE2 LYS 97 HE2 LYS 97 10.790 -5.636 -5.092 782 HE3 LYS 97 HE1 LYS 97 9.460 -4.762 -5.851 783 HZ1 LYS 97 HZ1 LYS 97 12.346 -4.439 -6.471 784 HZ2 LYS 97 HZ2 LYS 97 11.099 -3.536 -7.166 785 HZ3 LYS 97 HZ3 LYS 97 11.193 -5.198 -7.447 786 H ILE 98 HN ILE 98 5.783 -2.234 -5.476 787 HA ILE 98 HA ILE 98 3.764 -2.575 -3.361 788 HB ILE 98 HB ILE 98 3.486 -1.046 -5.957 789 HG12 ILE 98 HG12 ILE 98 3.905 -0.038 -3.135 790 HG13 ILE 98 HG11 ILE 98 5.083 0.032 -4.436 791 HG21 ILE 98 HG21 ILE 98 1.678 -1.254 -3.553 792 HG22 ILE 98 HG22 ILE 98 1.366 -1.898 -5.164 793 HG23 ILE 98 HG23 ILE 98 1.438 -0.155 -4.910 794 HD11 ILE 98 HD11 ILE 98 4.050 2.189 -4.123 795 HD12 ILE 98 HD12 ILE 98 2.449 1.481 -4.340 796 HD13 ILE 98 HD13 ILE 98 3.587 1.521 -5.687 797 H PHE 99 HN PHE 99 2.638 -4.396 -3.457 798 HA PHE 99 HA PHE 99 2.064 -5.594 -6.081 799 HB2 PHE 99 HB2 PHE 99 2.992 -7.027 -3.589 800 HB3 PHE 99 HB1 PHE 99 2.317 -7.841 -4.994 801 HD1 PHE 99 HD1 PHE 99 3.535 -7.733 -7.165 802 HD2 PHE 99 HD2 PHE 99 5.247 -6.357 -3.522 803 HE1 PHE 99 HE1 PHE 99 5.773 -7.866 -8.171 804 HE2 PHE 99 HE2 PHE 99 7.488 -6.495 -4.524 805 HZ PHE 99 HZ PHE 99 7.753 -7.243 -6.851 806 H HIS 100 HN HIS 100 -0.024 -5.765 -6.376 807 HA HIS 100 HA HIS 100 -1.813 -5.791 -4.048 808 HB2 HIS 100 HB2 HIS 100 -2.181 -3.970 -5.647 809 HB3 HIS 100 HB1 HIS 100 -2.383 -5.132 -6.943 810 HD1 HIS 100 HD1 HIS 100 -4.780 -5.102 -7.587 811 HD2 HIS 100 HD2 HIS 100 -4.260 -4.922 -3.454 812 HE1 HIS 100 HE1 HIS 100 -7.094 -5.129 -6.602 813 HE2 HIS 100 HE2 HIS 100 -6.763 -4.897 -4.115 814 H ILE 101 HN ILE 101 -2.411 -7.773 -3.447 815 HA ILE 101 HA ILE 101 -2.999 -9.776 -5.497 816 HB ILE 101 HB ILE 101 -2.961 -10.043 -2.480 817 HG12 ILE 101 HG12 ILE 101 -1.115 -11.743 -3.141 818 HG13 ILE 101 HG11 ILE 101 -1.054 -10.854 -4.657 819 HG21 ILE 101 HG21 ILE 101 -4.648 -11.500 -3.525 820 HG22 ILE 101 HG22 ILE 101 -3.323 -12.405 -2.794 821 HG23 ILE 101 HG23 ILE 101 -3.385 -12.195 -4.544 822 HD11 ILE 101 HD11 ILE 101 -0.619 -9.692 -1.927 823 HD12 ILE 101 HD12 ILE 101 -0.480 -8.834 -3.462 824 HD13 ILE 101 HD13 ILE 101 0.647 -10.136 -3.071 825 H ARG 102 HN ARG 102 -4.905 -9.393 -6.405 826 HA ARG 102 HA ARG 102 -7.006 -8.064 -4.961 827 HB2 ARG 102 HB2 ARG 102 -8.248 -8.209 -7.102 828 HB3 ARG 102 HB1 ARG 102 -6.669 -7.454 -7.257 829 HG2 ARG 102 HG2 ARG 102 -5.766 -9.562 -8.135 830 HG3 ARG 102 HG1 ARG 102 -7.375 -10.280 -8.020 831 HD2 ARG 102 HD2 ARG 102 -8.236 -8.594 -9.568 832 HD3 ARG 102 HD1 ARG 102 -6.633 -7.872 -9.672 833 HE ARG 102 HE ARG 102 -6.744 -10.663 -10.397 834 HH11 ARG 102 HH11 ARG 102 -6.999 -7.360 -11.524 835 HH12 ARG 102 HH12 ARG 102 -6.613 -7.754 -13.167 836 HH21 ARG 102 HH21 ARG 102 -6.254 -11.193 -12.561 837 HH22 ARG 102 HH22 ARG 102 -6.189 -9.940 -13.759 838 H LYS 103 HN LYS 103 -6.143 -11.326 -5.529 839 HA LYS 103 HA LYS 103 -8.724 -12.483 -5.291 840 HB2 LYS 103 HB2 LYS 103 -6.004 -13.600 -4.590 841 HB3 LYS 103 HB1 LYS 103 -7.489 -14.540 -4.617 842 HG2 LYS 103 HG2 LYS 103 -7.742 -14.099 -6.997 843 HG3 LYS 103 HG1 LYS 103 -6.267 -13.130 -6.978 844 HD2 LYS 103 HD2 LYS 103 -5.020 -15.128 -6.209 845 HD3 LYS 103 HD1 LYS 103 -6.502 -16.072 -6.370 846 HE2 LYS 103 HE2 LYS 103 -6.577 -15.551 -8.757 847 HE3 LYS 103 HE1 LYS 103 -5.105 -14.595 -8.596 848 HZ1 LYS 103 HZ1 LYS 103 -3.974 -16.636 -7.826 849 HZ2 LYS 103 HZ2 LYS 103 -4.536 -16.742 -9.421 850 HZ3 LYS 103 HZ3 LYS 103 -5.377 -17.518 -8.176 851 H GLU 104 HN GLU 104 -6.234 -11.593 -2.959 852 HA GLU 104 HA GLU 104 -7.944 -12.391 -0.734 853 HB2 GLU 104 HB2 GLU 104 -5.170 -11.194 -0.639 854 HB3 GLU 104 HB1 GLU 104 -6.025 -11.982 0.678 855 HG2 GLU 104 HG2 GLU 104 -5.010 -13.285 -1.836 856 HG3 GLU 104 HG1 GLU 104 -4.335 -13.447 -0.216 857 H ARG 105 HN ARG 105 -7.595 -9.788 -2.670 858 HA ARG 105 HA ARG 105 -8.115 -7.581 -2.600 859 HB2 ARG 105 HB2 ARG 105 -9.543 -8.298 -0.029 860 HB3 ARG 105 HB1 ARG 105 -9.805 -6.852 -0.994 861 HG2 ARG 105 HG2 ARG 105 -10.320 -9.660 -1.943 862 HG3 ARG 105 HG1 ARG 105 -11.549 -8.572 -1.298 863 HD2 ARG 105 HD2 ARG 105 -11.143 -7.008 -3.105 864 HD3 ARG 105 HD1 ARG 105 -9.844 -8.023 -3.725 865 HE ARG 105 HE ARG 105 -12.054 -9.646 -3.673 866 HH11 ARG 105 HH11 ARG 105 -11.232 -6.593 -5.176 867 HH12 ARG 105 HH12 ARG 105 -12.275 -6.841 -6.540 868 HH21 ARG 105 HH21 ARG 105 -13.413 -9.979 -5.485 869 HH22 ARG 105 HH22 ARG 105 -13.507 -8.759 -6.719 870 H THR 106 HN THR 106 -5.596 -8.329 -1.557 871 HA THR 106 HA THR 106 -5.290 -6.410 0.658 872 HB THR 106 HB THR 106 -3.768 -9.009 0.378 873 HG1 THR 106 HG1 THR 106 -6.229 -8.727 1.183 874 HG21 THR 106 HG21 THR 106 -3.868 -6.942 2.574 875 HG22 THR 106 HG22 THR 106 -2.495 -7.303 1.530 876 HG23 THR 106 HG23 THR 106 -3.058 -8.502 2.695 877 H LEU 107 HN LEU 107 -3.686 -4.966 0.455 878 HA LEU 107 HA LEU 107 -1.911 -5.243 -1.874 879 HB2 LEU 107 HB2 LEU 107 -3.364 -3.294 -1.970 880 HB3 LEU 107 HB1 LEU 107 -2.825 -2.781 -0.384 881 HG LEU 107 HG LEU 107 -0.593 -2.323 -1.256 882 HD11 LEU 107 HD11 LEU 107 -0.480 -4.045 -2.968 883 HD12 LEU 107 HD12 LEU 107 -0.144 -2.457 -3.656 884 HD13 LEU 107 HD13 LEU 107 -1.718 -3.210 -3.904 885 HD21 LEU 107 HD21 LEU 107 -2.250 -0.548 -1.353 886 HD22 LEU 107 HD22 LEU 107 -2.781 -1.119 -2.937 887 HD23 LEU 107 HD23 LEU 107 -1.157 -0.461 -2.736 888 H TYR 108 HN TYR 108 0.087 -5.821 -1.418 889 HA TYR 108 HA TYR 108 1.164 -5.340 1.260 890 HB2 TYR 108 HB2 TYR 108 2.136 -7.094 -1.003 891 HB3 TYR 108 HB1 TYR 108 2.960 -6.915 0.541 892 HD1 TYR 108 HD1 TYR 108 -0.321 -7.923 -0.913 893 HD2 TYR 108 HD2 TYR 108 2.442 -8.345 2.294 894 HE1 TYR 108 HE1 TYR 108 -1.684 -9.732 0.010 895 HE2 TYR 108 HE2 TYR 108 1.077 -10.159 3.233 896 HH TYR 108 HH TYR 108 -1.279 -10.928 3.146 897 H ILE 109 HN ILE 109 2.632 -3.848 1.648 898 HA ILE 109 HA ILE 109 4.131 -2.679 -0.610 899 HB ILE 109 HB ILE 109 3.502 -1.408 2.054 900 HG12 ILE 109 HG12 ILE 109 1.459 -1.664 0.730 901 HG13 ILE 109 HG11 ILE 109 1.924 0.029 0.845 902 HG21 ILE 109 HG21 ILE 109 5.569 -0.602 1.044 903 HG22 ILE 109 HG22 ILE 109 4.330 0.652 1.068 904 HG23 ILE 109 HG23 ILE 109 4.693 -0.201 -0.434 905 HD11 ILE 109 HD11 ILE 109 2.410 -1.768 -1.515 906 HD12 ILE 109 HD12 ILE 109 2.844 -0.061 -1.401 907 HD13 ILE 109 HD13 ILE 109 1.148 -0.544 -1.383 908 H TYR 110 HN TYR 110 6.250 -3.162 -0.601 909 HA TYR 110 HA TYR 110 7.555 -3.605 2.007 910 HB2 TYR 110 HB2 TYR 110 8.242 -4.890 -0.646 911 HB3 TYR 110 HB1 TYR 110 9.162 -5.084 0.836 912 HD1 TYR 110 HD1 TYR 110 5.927 -5.840 -0.794 913 HD2 TYR 110 HD2 TYR 110 8.517 -6.670 2.478 914 HE1 TYR 110 HE1 TYR 110 4.560 -7.799 -0.213 915 HE2 TYR 110 HE2 TYR 110 7.152 -8.627 3.069 916 HH TYR 110 HH TYR 110 4.992 -9.544 2.745 917 H ILE 111 HN ILE 111 9.162 -2.233 2.458 918 HA ILE 111 HA ILE 111 10.530 -0.877 0.245 919 HB ILE 111 HB ILE 111 9.458 0.583 2.673 920 HG12 ILE 111 HG12 ILE 111 8.667 0.806 -0.242 921 HG13 ILE 111 HG11 ILE 111 7.705 0.037 1.015 922 HG21 ILE 111 HG21 ILE 111 11.036 1.577 0.298 923 HG22 ILE 111 HG22 ILE 111 11.604 1.468 1.965 924 HG23 ILE 111 HG23 ILE 111 10.320 2.604 1.542 925 HD11 ILE 111 HD11 ILE 111 6.870 2.251 0.523 926 HD12 ILE 111 HD12 ILE 111 8.451 2.948 0.878 927 HD13 ILE 111 HD13 ILE 111 7.515 2.187 2.164 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 7.288 20.794 -8.629 2 H2 GLY 1 HT2 GLY 1 6.158 19.558 -8.835 3 H3 GLY 1 HT3 GLY 1 7.683 19.210 -8.199 4 HA2 GLY 1 HA1 GLY 1 5.566 20.833 -6.910 5 HA3 GLY 1 HA2 GLY 1 6.082 19.223 -6.428 6 HA PRO 2 HA PRO 2 8.300 22.399 -3.806 7 HB2 PRO 2 HB2 PRO 2 8.007 20.171 -1.871 8 HB3 PRO 2 HB1 PRO 2 7.698 21.897 -1.658 9 HG2 PRO 2 HG2 PRO 2 5.682 20.166 -1.874 10 HG3 PRO 2 HG1 PRO 2 5.591 21.773 -2.618 11 HD2 PRO 2 HD2 PRO 2 6.137 19.124 -3.889 12 HD3 PRO 2 HD1 PRO 2 5.169 20.483 -4.492 13 H HIS 3 HN HIS 3 8.846 18.999 -4.492 14 HA HIS 3 HA HIS 3 11.715 19.494 -4.421 15 HB2 HIS 3 HB2 HIS 3 11.055 18.639 -2.154 16 HB3 HIS 3 HB1 HIS 3 10.517 17.156 -2.926 17 HD1 HIS 3 HD1 HIS 3 12.412 16.288 -1.097 18 HD2 HIS 3 HD2 HIS 3 13.772 18.184 -4.543 19 HE1 HIS 3 HE1 HIS 3 14.819 15.611 -1.339 20 HE2 HIS 3 HE2 HIS 3 15.661 16.895 -3.335 21 H MET 4 HN MET 4 9.651 16.602 -4.576 22 HA MET 4 HA MET 4 9.930 16.161 -7.340 23 HB2 MET 4 HB2 MET 4 12.296 15.766 -6.716 24 HB3 MET 4 HB1 MET 4 11.780 14.520 -5.591 25 HG2 MET 4 HG2 MET 4 10.883 13.217 -7.466 26 HG3 MET 4 HG1 MET 4 11.449 14.460 -8.581 27 HE1 MET 4 HE1 MET 4 13.958 14.949 -9.127 28 HE2 MET 4 HE2 MET 4 15.317 14.204 -8.286 29 HE3 MET 4 HE3 MET 4 14.248 15.312 -7.426 30 H SER 5 HN SER 5 8.788 14.263 -7.991 31 HA SER 5 HA SER 5 7.695 12.526 -5.946 32 HB2 SER 5 HB2 SER 5 5.342 12.990 -6.664 33 HB3 SER 5 HB1 SER 5 6.109 14.348 -5.841 34 HG SER 5 HG SER 5 6.279 14.189 -8.641 35 H VAL 6 HN VAL 6 7.368 10.531 -6.728 36 HA VAL 6 HA VAL 6 7.285 10.174 -9.652 37 HB VAL 6 HB VAL 6 8.588 8.048 -9.302 38 HG11 VAL 6 HG11 VAL 6 10.778 9.183 -9.127 39 HG12 VAL 6 HG12 VAL 6 9.944 10.656 -8.631 40 HG13 VAL 6 HG13 VAL 6 9.670 9.987 -10.240 41 HG21 VAL 6 HG21 VAL 6 8.951 9.251 -6.566 42 HG22 VAL 6 HG22 VAL 6 10.023 8.021 -7.229 43 HG23 VAL 6 HG23 VAL 6 8.315 7.658 -6.975 44 H GLN 7 HN GLN 7 5.978 8.520 -10.403 45 HA GLN 7 HA GLN 7 3.965 7.602 -8.532 46 HB2 GLN 7 HB2 GLN 7 2.688 6.924 -10.414 47 HB3 GLN 7 HB1 GLN 7 3.418 8.457 -10.856 48 HG2 GLN 7 HG2 GLN 7 4.472 5.762 -11.689 49 HG3 GLN 7 HG1 GLN 7 3.412 6.767 -12.668 50 HE21 GLN 7 HE21 GLN 7 6.611 6.352 -11.401 51 HE22 GLN 7 HE22 GLN 7 7.384 7.533 -12.409 52 H ILE 8 HN ILE 8 3.687 5.503 -7.849 53 HA ILE 8 HA ILE 8 5.824 3.647 -8.662 54 HB ILE 8 HB ILE 8 4.092 3.204 -6.253 55 HG12 ILE 8 HG12 ILE 8 5.031 5.455 -5.970 56 HG13 ILE 8 HG11 ILE 8 5.787 4.319 -4.862 57 HG21 ILE 8 HG21 ILE 8 6.918 2.400 -6.940 58 HG22 ILE 8 HG22 ILE 8 5.491 1.374 -7.093 59 HG23 ILE 8 HG23 ILE 8 6.020 1.917 -5.501 60 HD11 ILE 8 HD11 ILE 8 7.426 5.818 -5.792 61 HD12 ILE 8 HD12 ILE 8 6.960 5.358 -7.428 62 HD13 ILE 8 HD13 ILE 8 7.718 4.176 -6.361 63 HA PRO 9 HA PRO 9 2.508 1.511 -10.762 64 HB2 PRO 9 HB2 PRO 9 4.022 -0.478 -11.797 65 HB3 PRO 9 HB1 PRO 9 4.019 1.159 -12.460 66 HG2 PRO 9 HG2 PRO 9 5.988 -0.135 -10.618 67 HG3 PRO 9 HG1 PRO 9 6.286 0.906 -12.020 68 HD2 PRO 9 HD2 PRO 9 6.380 1.810 -9.461 69 HD3 PRO 9 HD1 PRO 9 5.895 2.835 -10.829 70 H VAL 10 HN VAL 10 1.122 -0.005 -10.055 71 HA VAL 10 HA VAL 10 1.967 -1.781 -7.896 72 HB VAL 10 HB VAL 10 -0.810 -1.392 -9.026 73 HG11 VAL 10 HG11 VAL 10 0.166 -2.722 -6.500 74 HG12 VAL 10 HG12 VAL 10 -0.575 -3.510 -7.894 75 HG13 VAL 10 HG13 VAL 10 -1.526 -2.413 -6.893 76 HG21 VAL 10 HG21 VAL 10 -1.240 -0.015 -7.052 77 HG22 VAL 10 HG22 VAL 10 0.008 0.688 -8.081 78 HG23 VAL 10 HG23 VAL 10 0.458 -0.149 -6.596 79 H VAL 11 HN VAL 11 2.516 -3.822 -8.285 80 HA VAL 11 HA VAL 11 1.755 -5.055 -10.818 81 HB VAL 11 HB VAL 11 3.525 -6.122 -8.607 82 HG11 VAL 11 HG11 VAL 11 4.234 -7.779 -10.263 83 HG12 VAL 11 HG12 VAL 11 3.069 -7.126 -11.415 84 HG13 VAL 11 HG13 VAL 11 2.505 -7.893 -9.930 85 HG21 VAL 11 HG21 VAL 11 4.260 -4.855 -11.246 86 HG22 VAL 11 HG22 VAL 11 5.389 -5.596 -10.112 87 HG23 VAL 11 HG23 VAL 11 4.498 -4.146 -9.648 88 H GLU 12 HN GLU 12 -0.068 -6.199 -10.912 89 HA GLU 12 HA GLU 12 -1.248 -7.150 -8.420 90 HB2 GLU 12 HB2 GLU 12 -2.407 -7.038 -11.205 91 HB3 GLU 12 HB1 GLU 12 -3.267 -7.579 -9.768 92 HG2 GLU 12 HG2 GLU 12 -2.765 -5.308 -8.786 93 HG3 GLU 12 HG1 GLU 12 -2.261 -4.834 -10.402 94 H VAL 13 HN VAL 13 -0.703 -9.034 -7.782 95 HA VAL 13 HA VAL 13 -0.372 -11.208 -9.734 96 HB VAL 13 HB VAL 13 1.359 -12.124 -8.052 97 HG11 VAL 13 HG11 VAL 13 1.972 -11.424 -10.270 98 HG12 VAL 13 HG12 VAL 13 3.171 -10.817 -9.127 99 HG13 VAL 13 HG13 VAL 13 1.947 -9.731 -9.782 100 HG21 VAL 13 HG21 VAL 13 0.904 -10.521 -6.260 101 HG22 VAL 13 HG22 VAL 13 1.418 -9.197 -7.307 102 HG23 VAL 13 HG23 VAL 13 2.581 -10.418 -6.792 103 H ASP 14 HN ASP 14 -0.101 -13.363 -8.213 104 HA ASP 14 HA ASP 14 -2.654 -13.554 -6.848 105 HB2 ASP 14 HB2 ASP 14 -1.882 -15.331 -8.440 106 HB3 ASP 14 HB1 ASP 14 -0.561 -15.694 -7.336 107 H GLU 15 HN GLU 15 0.753 -13.508 -6.276 108 HA GLU 15 HA GLU 15 0.521 -12.452 -3.729 109 HB2 GLU 15 HB2 GLU 15 1.258 -14.244 -2.299 110 HB3 GLU 15 HB1 GLU 15 -0.216 -14.709 -3.136 111 HG2 GLU 15 HG2 GLU 15 1.108 -16.033 -4.715 112 HG3 GLU 15 HG1 GLU 15 2.567 -15.613 -3.811 113 H LEU 16 HN LEU 16 2.813 -12.727 -2.555 114 HA LEU 16 HA LEU 16 4.559 -11.453 -4.406 115 HB2 LEU 16 HB2 LEU 16 5.034 -12.317 -1.555 116 HB3 LEU 16 HB1 LEU 16 6.105 -11.294 -2.487 117 HG LEU 16 HG LEU 16 4.998 -9.757 -1.201 118 HD11 LEU 16 HD11 LEU 16 3.278 -9.984 -3.651 119 HD12 LEU 16 HD12 LEU 16 4.793 -9.090 -3.501 120 HD13 LEU 16 HD13 LEU 16 3.371 -8.580 -2.587 121 HD21 LEU 16 HD21 LEU 16 2.464 -11.332 -1.559 122 HD22 LEU 16 HD22 LEU 16 2.611 -9.815 -0.670 123 HD23 LEU 16 HD23 LEU 16 3.468 -11.251 -0.112 124 HA PRO 17 HA PRO 17 7.137 -14.921 -5.469 125 HB2 PRO 17 HB2 PRO 17 9.454 -13.641 -6.030 126 HB3 PRO 17 HB1 PRO 17 8.057 -13.582 -7.105 127 HG2 PRO 17 HG2 PRO 17 9.027 -11.554 -5.148 128 HG3 PRO 17 HG1 PRO 17 8.354 -11.317 -6.769 129 HD2 PRO 17 HD2 PRO 17 6.929 -10.966 -4.458 130 HD3 PRO 17 HD1 PRO 17 6.199 -11.392 -6.014 131 H GLU 18 HN GLU 18 9.337 -15.824 -4.881 132 HA GLU 18 HA GLU 18 9.515 -16.120 -2.103 133 HB2 GLU 18 HB2 GLU 18 11.635 -17.314 -2.576 134 HB3 GLU 18 HB1 GLU 18 10.301 -17.852 -3.586 135 HG2 GLU 18 HG2 GLU 18 11.159 -16.405 -5.399 136 HG3 GLU 18 HG1 GLU 18 12.544 -16.017 -4.379 137 H GLY 19 HN GLY 19 10.831 -15.266 -0.568 138 HA2 GLY 19 HA2 GLY 19 12.685 -13.898 0.134 139 HA3 GLY 19 HA1 GLY 19 12.546 -13.011 -1.378 140 H TYR 20 HN TYR 20 9.473 -13.335 -0.693 141 HA TYR 20 HA TYR 20 9.380 -10.832 0.836 142 HB2 TYR 20 HB2 TYR 20 7.501 -12.073 -1.146 143 HB3 TYR 20 HB1 TYR 20 6.962 -10.805 -0.049 144 HD1 TYR 20 HD2 TYR 20 7.782 -8.539 -0.273 145 HD2 TYR 20 HD1 TYR 20 9.049 -11.582 -2.957 146 HE1 TYR 20 HE2 TYR 20 8.645 -6.821 -1.800 147 HE2 TYR 20 HE1 TYR 20 9.919 -9.872 -4.490 148 HH TYR 20 HH TYR 20 10.417 -6.689 -3.580 149 H ASP 21 HN ASP 21 7.787 -10.527 2.444 150 HA ASP 21 HA ASP 21 7.099 -13.033 3.833 151 HB2 ASP 21 HB2 ASP 21 8.805 -11.572 4.943 152 HB3 ASP 21 HB1 ASP 21 7.583 -10.308 5.058 153 H ARG 22 HN ARG 22 5.012 -13.427 3.436 154 HA ARG 22 HA ARG 22 3.135 -11.167 3.389 155 HB2 ARG 22 HB2 ARG 22 3.174 -12.456 1.325 156 HB3 ARG 22 HB1 ARG 22 2.884 -13.944 2.213 157 HG2 ARG 22 HG2 ARG 22 0.677 -13.314 2.748 158 HG3 ARG 22 HG1 ARG 22 0.952 -11.647 2.252 159 HD2 ARG 22 HD2 ARG 22 -0.376 -12.807 0.601 160 HD3 ARG 22 HD1 ARG 22 1.198 -12.389 -0.069 161 HE ARG 22 HE ARG 22 1.706 -14.618 -0.242 162 HH11 ARG 22 HH11 ARG 22 -1.209 -14.235 1.664 163 HH12 ARG 22 HH12 ARG 22 -1.605 -15.922 1.639 164 HH21 ARG 22 HH21 ARG 22 1.166 -16.843 -0.318 165 HH22 ARG 22 HH22 ARG 22 -0.255 -17.402 0.518 166 H SER 23 HN SER 23 1.196 -11.257 4.533 167 HA SER 23 HA SER 23 1.164 -13.129 6.770 168 HB2 SER 23 HB2 SER 23 -0.481 -10.635 6.271 169 HB3 SER 23 HB1 SER 23 -0.532 -11.616 7.734 170 HG SER 23 HG SER 23 1.990 -11.066 7.365 171 H2 PRO 24 HT1 PRO 24 -23.651 12.218 -6.710 172 H3 PRO 24 HT2 PRO 24 -23.388 12.462 -8.298 173 HA PRO 24 HA PRO 24 -22.513 14.304 -7.870 174 HB2 PRO 24 HB2 PRO 24 -24.705 15.657 -6.504 175 HB3 PRO 24 HB1 PRO 24 -23.977 16.002 -8.079 176 HG2 PRO 24 HG2 PRO 24 -26.443 14.918 -7.831 177 HG3 PRO 24 HG1 PRO 24 -25.367 14.554 -9.193 178 HD2 PRO 24 HD2 PRO 24 -25.907 12.933 -6.720 179 HD3 PRO 24 HD1 PRO 24 -25.795 12.398 -8.407 180 H HIS 25 HN HIS 25 -24.687 14.425 -5.048 181 HA HIS 25 HA HIS 25 -22.390 13.976 -3.305 182 HB2 HIS 25 HB2 HIS 25 -22.987 15.907 -1.877 183 HB3 HIS 25 HB1 HIS 25 -22.468 16.390 -3.484 184 HD1 HIS 25 HD1 HIS 25 -25.302 16.598 -1.128 185 HD2 HIS 25 HD2 HIS 25 -24.571 17.422 -5.135 186 HE1 HIS 25 HE1 HIS 25 -27.214 18.048 -1.881 187 HE2 HIS 25 HE2 HIS 25 -26.643 18.686 -4.251 188 H GLU 26 HN GLU 26 -24.300 12.146 -3.831 189 HA GLU 26 HA GLU 26 -26.284 12.200 -1.714 190 HB2 GLU 26 HB2 GLU 26 -25.608 10.080 -3.765 191 HB3 GLU 26 HB1 GLU 26 -26.937 9.980 -2.622 192 HG2 GLU 26 HG2 GLU 26 -26.620 12.042 -4.786 193 HG3 GLU 26 HG1 GLU 26 -27.710 10.658 -4.813 194 H GLN 27 HN GLN 27 -26.324 9.516 -0.981 195 HA GLN 27 HA GLN 27 -23.950 9.354 0.687 196 HB2 GLN 27 HB2 GLN 27 -26.451 7.667 0.600 197 HB3 GLN 27 HB1 GLN 27 -25.106 7.376 1.693 198 HG2 GLN 27 HG2 GLN 27 -25.438 9.634 2.635 199 HG3 GLN 27 HG1 GLN 27 -26.857 9.821 1.606 200 HE21 GLN 27 HE21 GLN 27 -26.650 9.844 4.507 201 HE22 GLN 27 HE22 GLN 27 -27.696 8.589 5.074 202 H GLN 28 HN GLN 28 -22.464 7.719 0.616 203 HA GLN 28 HA GLN 28 -22.436 6.213 -1.898 204 HB2 GLN 28 HB2 GLN 28 -19.963 6.094 -1.540 205 HB3 GLN 28 HB1 GLN 28 -20.571 7.718 -1.794 206 HG2 GLN 28 HG2 GLN 28 -20.068 6.590 0.937 207 HG3 GLN 28 HG1 GLN 28 -18.827 7.412 0.001 208 HE21 GLN 28 HE21 GLN 28 -20.706 9.330 -1.149 209 HE22 GLN 28 HE22 GLN 28 -21.083 10.443 0.119 210 H GLU 29 HN GLU 29 -21.296 4.122 -1.791 211 HA GLU 29 HA GLU 29 -21.387 2.753 0.766 212 HB2 GLU 29 HB2 GLU 29 -22.894 1.012 -0.060 213 HB3 GLU 29 HB1 GLU 29 -23.668 2.590 -0.097 214 HG2 GLU 29 HG2 GLU 29 -23.133 2.740 -2.511 215 HG3 GLU 29 HG1 GLU 29 -22.527 1.087 -2.435 216 H ASP 30 HN ASP 30 -20.267 3.072 -2.454 217 HA ASP 30 HA ASP 30 -19.085 0.440 -2.645 218 HB2 ASP 30 HB2 ASP 30 -18.334 1.108 -4.808 219 HB3 ASP 30 HB1 ASP 30 -19.947 1.786 -4.615 220 H VAL 31 HN VAL 31 -18.299 3.220 -1.061 221 HA VAL 31 HA VAL 31 -15.615 3.685 -1.525 222 HB VAL 31 HB VAL 31 -17.092 3.968 1.096 223 HG11 VAL 31 HG11 VAL 31 -14.674 4.079 1.386 224 HG12 VAL 31 HG12 VAL 31 -15.413 5.661 1.633 225 HG13 VAL 31 HG13 VAL 31 -14.571 5.308 0.125 226 HG21 VAL 31 HG21 VAL 31 -17.344 6.339 0.367 227 HG22 VAL 31 HG22 VAL 31 -18.267 5.185 -0.594 228 HG23 VAL 31 HG23 VAL 31 -16.762 5.858 -1.226 229 HA PRO 32 HA PRO 32 -13.879 -0.074 0.156 230 HB2 PRO 32 HB2 PRO 32 -11.297 0.561 -0.393 231 HB3 PRO 32 HB1 PRO 32 -12.419 -0.075 -1.602 232 HG2 PRO 32 HG2 PRO 32 -11.535 2.733 -1.126 233 HG3 PRO 32 HG1 PRO 32 -11.833 1.893 -2.657 234 HD2 PRO 32 HD2 PRO 32 -13.602 3.638 -1.518 235 HD3 PRO 32 HD1 PRO 32 -14.089 2.304 -2.582 236 H GLU 33 HN GLU 33 -13.447 -0.453 2.222 237 HA GLU 33 HA GLU 33 -12.303 1.680 3.855 238 HB2 GLU 33 HB2 GLU 33 -14.473 0.755 4.602 239 HB3 GLU 33 HB1 GLU 33 -13.746 -0.845 4.705 240 HG2 GLU 33 HG2 GLU 33 -12.257 -0.105 6.442 241 HG3 GLU 33 HG1 GLU 33 -12.863 1.546 6.303 242 H TYR 34 HN TYR 34 -10.180 1.505 3.662 243 HA TYR 34 HA TYR 34 -8.857 -1.069 3.650 244 HB2 TYR 34 HB2 TYR 34 -7.770 1.737 3.497 245 HB3 TYR 34 HB1 TYR 34 -6.793 0.280 3.369 246 HD1 TYR 34 HD1 TYR 34 -7.472 -1.382 1.484 247 HD2 TYR 34 HD2 TYR 34 -8.632 2.709 1.582 248 HE1 TYR 34 HE1 TYR 34 -7.875 -1.448 -0.937 249 HE2 TYR 34 HE2 TYR 34 -9.038 2.659 -0.839 250 HH TYR 34 HH TYR 34 -9.169 -0.247 -2.617 251 H GLU 35 HN GLU 35 -7.187 -1.652 5.068 252 HA GLU 35 HA GLU 35 -7.114 -0.247 7.644 253 HB2 GLU 35 HB2 GLU 35 -8.486 -2.393 7.685 254 HB3 GLU 35 HB1 GLU 35 -6.986 -3.252 7.360 255 HG2 GLU 35 HG2 GLU 35 -6.034 -2.399 9.431 256 HG3 GLU 35 HG1 GLU 35 -7.512 -1.494 9.748 257 H VAL 36 HN VAL 36 -5.129 0.417 8.027 258 HA VAL 36 HA VAL 36 -2.919 -0.644 6.446 259 HB VAL 36 HB VAL 36 -3.055 1.858 8.136 260 HG11 VAL 36 HG11 VAL 36 -0.772 0.970 7.873 261 HG12 VAL 36 HG12 VAL 36 -0.990 2.510 7.043 262 HG13 VAL 36 HG13 VAL 36 -0.976 1.007 6.121 263 HG21 VAL 36 HG21 VAL 36 -3.252 1.524 5.144 264 HG22 VAL 36 HG22 VAL 36 -3.217 3.058 6.011 265 HG23 VAL 36 HG23 VAL 36 -4.574 1.955 6.228 266 H LYS 37 HN LYS 37 -1.146 -1.583 7.275 267 HA LYS 37 HA LYS 37 -0.745 -1.583 10.183 268 HB2 LYS 37 HB2 LYS 37 -0.357 -3.993 8.385 269 HB3 LYS 37 HB1 LYS 37 -0.014 -3.927 10.103 270 HG2 LYS 37 HG2 LYS 37 -2.036 -5.052 9.993 271 HG3 LYS 37 HG1 LYS 37 -2.516 -3.397 10.372 272 HD2 LYS 37 HD2 LYS 37 -2.982 -3.005 7.987 273 HD3 LYS 37 HD1 LYS 37 -2.548 -4.676 7.638 274 HE2 LYS 37 HE2 LYS 37 -4.735 -3.878 9.536 275 HE3 LYS 37 HE1 LYS 37 -5.003 -4.227 7.831 276 HZ1 LYS 37 HZ1 LYS 37 -5.414 -6.097 9.417 277 HZ2 LYS 37 HZ2 LYS 37 -3.744 -6.163 9.683 278 HZ3 LYS 37 HZ3 LYS 37 -4.370 -6.453 8.136 279 H MET 38 HN MET 38 1.505 -1.762 10.770 280 HA MET 38 HA MET 38 3.369 -1.320 8.535 281 HB2 MET 38 HB2 MET 38 2.507 0.744 10.015 282 HB3 MET 38 HB1 MET 38 3.835 0.195 11.033 283 HG2 MET 38 HG2 MET 38 5.424 0.597 9.406 284 HG3 MET 38 HG1 MET 38 4.235 0.640 8.112 285 HE1 MET 38 HE1 MET 38 4.216 2.711 6.916 286 HE2 MET 38 HE2 MET 38 5.883 2.823 7.486 287 HE3 MET 38 HE3 MET 38 4.835 4.242 7.542 288 H LYS 39 HN LYS 39 5.440 -2.169 8.835 289 HA LYS 39 HA LYS 39 6.010 -3.474 11.399 290 HB2 LYS 39 HB2 LYS 39 4.714 -5.003 9.720 291 HB3 LYS 39 HB1 LYS 39 6.257 -5.105 8.892 292 HG2 LYS 39 HG2 LYS 39 6.019 -5.746 11.806 293 HG3 LYS 39 HG1 LYS 39 5.638 -6.941 10.568 294 HD2 LYS 39 HD2 LYS 39 7.886 -6.735 9.658 295 HD3 LYS 39 HD1 LYS 39 8.268 -5.486 10.845 296 HE2 LYS 39 HE2 LYS 39 7.500 -8.327 11.505 297 HE3 LYS 39 HE1 LYS 39 9.152 -7.716 11.452 298 HZ1 LYS 39 HZ1 LYS 39 7.010 -6.772 13.276 299 HZ2 LYS 39 HZ2 LYS 39 8.582 -6.160 13.220 300 HZ3 LYS 39 HZ3 LYS 39 8.312 -7.755 13.707 301 H ARG 40 HN ARG 40 8.137 -3.532 11.879 302 HA ARG 40 HA ARG 40 9.970 -2.363 9.920 303 HB2 ARG 40 HB2 ARG 40 10.039 -2.589 12.917 304 HB3 ARG 40 HB1 ARG 40 11.499 -2.239 12.004 305 HG2 ARG 40 HG2 ARG 40 10.587 -0.180 12.769 306 HG3 ARG 40 HG1 ARG 40 10.342 -0.273 11.025 307 HD2 ARG 40 HD2 ARG 40 8.029 -1.122 11.502 308 HD3 ARG 40 HD1 ARG 40 8.308 -0.724 13.197 309 HE ARG 40 HE ARG 40 8.866 1.515 11.563 310 HH11 ARG 40 HH11 ARG 40 6.199 -0.328 12.891 311 HH12 ARG 40 HH12 ARG 40 5.068 0.984 12.771 312 HH21 ARG 40 HH21 ARG 40 7.378 3.230 11.384 313 HH22 ARG 40 HH22 ARG 40 5.742 3.007 11.909 314 H PHE 41 HN PHE 41 11.525 -3.480 9.000 315 HA PHE 41 HA PHE 41 12.060 -6.200 9.994 316 HB2 PHE 41 HB2 PHE 41 12.198 -5.000 7.240 317 HB3 PHE 41 HB1 PHE 41 13.100 -6.457 7.633 318 HD1 PHE 41 HD1 PHE 41 9.655 -5.051 7.728 319 HD2 PHE 41 HD2 PHE 41 12.100 -8.521 7.446 320 HE1 PHE 41 HE1 PHE 41 7.660 -6.418 7.293 321 HE2 PHE 41 HE2 PHE 41 10.105 -9.896 7.009 322 HZ PHE 41 HZ PHE 41 7.882 -8.842 6.930 323 H LYS 42 HN LYS 42 14.170 -6.915 10.219 324 HA LYS 42 HA LYS 42 16.260 -4.859 10.015 325 HB2 LYS 42 HB2 LYS 42 15.534 -5.111 12.372 326 HB3 LYS 42 HB1 LYS 42 15.928 -6.821 12.293 327 HG2 LYS 42 HG2 LYS 42 18.260 -6.319 11.976 328 HG3 LYS 42 HG1 LYS 42 17.911 -4.593 11.890 329 HD2 LYS 42 HD2 LYS 42 18.666 -4.886 14.072 330 HD3 LYS 42 HD1 LYS 42 16.914 -4.890 14.245 331 HE2 LYS 42 HE2 LYS 42 18.632 -7.363 14.075 332 HE3 LYS 42 HE1 LYS 42 18.070 -6.641 15.578 333 HZ1 LYS 42 HZ1 LYS 42 16.450 -7.924 13.460 334 HZ2 LYS 42 HZ2 LYS 42 15.765 -6.972 14.676 335 HZ3 LYS 42 HZ3 LYS 42 16.602 -8.380 15.078 336 H GLY 43 HN GLY 43 17.309 -5.630 8.269 337 HA2 GLY 43 HA2 GLY 43 19.043 -6.977 7.408 338 HA3 GLY 43 HA1 GLY 43 18.605 -8.235 8.556 339 H ALA 44 HN ALA 44 16.587 -6.483 6.221 340 HA ALA 44 HA ALA 44 16.242 -8.988 4.732 341 HB1 ALA 44 HB1 ALA 44 14.012 -7.131 5.558 342 HB2 ALA 44 HB2 ALA 44 14.316 -8.738 6.217 343 HB3 ALA 44 HB3 ALA 44 13.844 -8.553 4.528 344 H ALA 45 HN ALA 45 15.121 -8.521 2.580 345 HA ALA 45 HA ALA 45 16.583 -6.591 1.129 346 HB1 ALA 45 HB1 ALA 45 15.146 -7.190 -0.752 347 HB2 ALA 45 HB2 ALA 45 14.053 -8.034 0.346 348 HB3 ALA 45 HB3 ALA 45 15.697 -8.627 0.110 349 H TYR 46 HN TYR 46 13.781 -6.366 3.010 350 HA TYR 46 HA TYR 46 13.352 -3.615 2.124 351 HB2 TYR 46 HB2 TYR 46 10.875 -4.192 2.944 352 HB3 TYR 46 HB1 TYR 46 11.383 -4.458 1.276 353 HD1 TYR 46 HD1 TYR 46 10.983 -6.180 4.554 354 HD2 TYR 46 HD2 TYR 46 11.291 -6.582 0.333 355 HE1 TYR 46 HE1 TYR 46 10.433 -8.568 4.744 356 HE2 TYR 46 HE2 TYR 46 10.743 -8.970 0.512 357 HH TYR 46 HH TYR 46 10.797 -10.746 2.115 358 H LYS 47 HN LYS 47 12.982 -2.172 3.767 359 HA LYS 47 HA LYS 47 13.882 -3.155 6.378 360 HB2 LYS 47 HB2 LYS 47 13.717 -0.345 5.263 361 HB3 LYS 47 HB1 LYS 47 14.283 -0.742 6.873 362 HG2 LYS 47 HG2 LYS 47 16.198 -0.366 5.534 363 HG3 LYS 47 HG1 LYS 47 16.100 -2.103 5.810 364 HD2 LYS 47 HD2 LYS 47 16.688 -1.693 3.509 365 HD3 LYS 47 HD1 LYS 47 15.055 -2.355 3.579 366 HE2 LYS 47 HE2 LYS 47 14.218 0.024 3.458 367 HE3 LYS 47 HE1 LYS 47 15.878 0.503 3.103 368 HZ1 LYS 47 HZ1 LYS 47 14.175 -1.333 1.503 369 HZ2 LYS 47 HZ2 LYS 47 15.809 -1.020 1.187 370 HZ3 LYS 47 HZ3 LYS 47 14.672 0.225 1.060 371 H LEU 48 HN LEU 48 11.185 -1.865 4.723 372 HA LEU 48 HA LEU 48 9.648 -1.835 7.223 373 HB2 LEU 48 HB2 LEU 48 10.487 0.476 6.073 374 HB3 LEU 48 HB1 LEU 48 8.969 0.243 5.231 375 HG LEU 48 HG LEU 48 8.740 1.718 7.185 376 HD11 LEU 48 HD11 LEU 48 7.322 -0.912 7.538 377 HD12 LEU 48 HD12 LEU 48 6.824 0.396 6.467 378 HD13 LEU 48 HD13 LEU 48 6.831 0.642 8.209 379 HD21 LEU 48 HD21 LEU 48 9.444 -0.710 8.813 380 HD22 LEU 48 HD22 LEU 48 8.966 0.872 9.427 381 HD23 LEU 48 HD23 LEU 48 10.494 0.685 8.564 382 H ARG 49 HN ARG 49 7.677 -2.739 7.046 383 HA ARG 49 HA ARG 49 6.646 -3.292 4.339 384 HB2 ARG 49 HB2 ARG 49 7.395 -5.328 5.584 385 HB3 ARG 49 HB1 ARG 49 6.209 -4.955 6.826 386 HG2 ARG 49 HG2 ARG 49 4.457 -5.081 5.018 387 HG3 ARG 49 HG1 ARG 49 5.712 -5.751 3.975 388 HD2 ARG 49 HD2 ARG 49 4.545 -7.594 4.905 389 HD3 ARG 49 HD1 ARG 49 6.095 -7.502 5.738 390 HE ARG 49 HE ARG 49 4.085 -6.063 7.151 391 HH11 ARG 49 HH11 ARG 49 5.255 -9.298 6.507 392 HH12 ARG 49 HH12 ARG 49 4.605 -9.959 7.969 393 HH21 ARG 49 HH21 ARG 49 3.206 -6.943 9.072 394 HH22 ARG 49 HH22 ARG 49 3.438 -8.626 9.424 395 H ILE 50 HN ILE 50 4.687 -2.483 3.914 396 HA ILE 50 HA ILE 50 2.996 -1.666 6.196 397 HB ILE 50 HB ILE 50 3.095 -0.213 3.534 398 HG12 ILE 50 HG12 ILE 50 4.054 1.687 4.928 399 HG13 ILE 50 HG11 ILE 50 4.375 0.495 6.178 400 HG21 ILE 50 HG21 ILE 50 1.790 0.550 6.136 401 HG22 ILE 50 HG22 ILE 50 0.953 -0.157 4.753 402 HG23 ILE 50 HG23 ILE 50 1.705 1.432 4.612 403 HD11 ILE 50 HD11 ILE 50 6.309 1.105 4.716 404 HD12 ILE 50 HD12 ILE 50 5.477 0.280 3.396 405 HD13 ILE 50 HD13 ILE 50 5.956 -0.617 4.843 406 H LEU 51 HN LEU 51 0.986 -2.418 6.161 407 HA LEU 51 HA LEU 51 0.182 -3.986 3.800 408 HB2 LEU 51 HB2 LEU 51 0.259 -4.593 6.657 409 HB3 LEU 51 HB1 LEU 51 -1.291 -4.950 5.927 410 HG LEU 51 HG LEU 51 0.225 -6.898 6.000 411 HD11 LEU 51 HD11 LEU 51 -0.106 -7.586 3.690 412 HD12 LEU 51 HD12 LEU 51 -0.430 -5.913 3.233 413 HD13 LEU 51 HD13 LEU 51 -1.528 -6.758 4.324 414 HD21 LEU 51 HD21 LEU 51 1.894 -5.294 4.068 415 HD22 LEU 51 HD22 LEU 51 2.138 -6.990 4.484 416 HD23 LEU 51 HD23 LEU 51 2.350 -5.741 5.711 417 H ILE 52 HN ILE 52 -1.479 -3.130 2.745 418 HA ILE 52 HA ILE 52 -3.563 -1.781 4.334 419 HB ILE 52 HB ILE 52 -2.799 -1.039 1.501 420 HG12 ILE 52 HG12 ILE 52 -2.235 1.191 2.854 421 HG13 ILE 52 HG11 ILE 52 -1.912 0.030 4.141 422 HG21 ILE 52 HG21 ILE 52 -4.683 0.257 3.463 423 HG22 ILE 52 HG22 ILE 52 -5.144 -0.672 2.037 424 HG23 ILE 52 HG23 ILE 52 -4.293 0.863 1.853 425 HD11 ILE 52 HD11 ILE 52 0.104 0.612 2.905 426 HD12 ILE 52 HD12 ILE 52 -0.636 0.022 1.415 427 HD13 ILE 52 HD13 ILE 52 -0.292 -1.098 2.734 428 H GLU 53 HN GLU 53 -5.138 -3.282 4.419 429 HA GLU 53 HA GLU 53 -5.782 -4.694 1.923 430 HB2 GLU 53 HB2 GLU 53 -6.791 -6.430 3.237 431 HB3 GLU 53 HB1 GLU 53 -5.181 -6.115 3.867 432 HG2 GLU 53 HG2 GLU 53 -6.211 -4.717 5.630 433 HG3 GLU 53 HG1 GLU 53 -7.793 -5.210 5.042 434 H ASN 54 HN ASN 54 -7.965 -5.015 1.385 435 HA ASN 54 HA ASN 54 -9.622 -2.709 2.107 436 HB2 ASN 54 HB2 ASN 54 -8.988 -3.370 -0.331 437 HB3 ASN 54 HB1 ASN 54 -10.190 -4.637 -0.124 438 HD21 ASN 54 HD21 ASN 54 -11.953 -3.009 1.527 439 HD22 ASN 54 HD22 ASN 54 -12.689 -1.880 0.450 440 H LYS 55 HN LYS 55 -11.040 -3.101 3.677 441 HA LYS 55 HA LYS 55 -12.584 -5.587 3.548 442 HB2 LYS 55 HB2 LYS 55 -12.466 -5.573 6.126 443 HB3 LYS 55 HB1 LYS 55 -11.078 -6.178 5.234 444 HG2 LYS 55 HG2 LYS 55 -9.923 -4.064 5.542 445 HG3 LYS 55 HG1 LYS 55 -11.329 -3.402 6.379 446 HD2 LYS 55 HD2 LYS 55 -9.808 -5.827 7.316 447 HD3 LYS 55 HD1 LYS 55 -9.477 -4.188 7.874 448 HE2 LYS 55 HE2 LYS 55 -11.829 -4.028 8.639 449 HE3 LYS 55 HE1 LYS 55 -12.057 -5.714 8.184 450 HZ1 LYS 55 HZ1 LYS 55 -10.081 -4.736 10.176 451 HZ2 LYS 55 HZ2 LYS 55 -10.381 -6.356 9.774 452 HZ3 LYS 55 HZ3 LYS 55 -11.576 -5.444 10.550 453 H ALA 56 HN ALA 56 -14.339 -4.471 2.759 454 HA ALA 56 HA ALA 56 -15.769 -2.935 4.802 455 HB1 ALA 56 HB1 ALA 56 -16.386 -1.203 3.376 456 HB2 ALA 56 HB2 ALA 56 -15.976 -2.120 1.934 457 HB3 ALA 56 HB3 ALA 56 -14.694 -1.475 2.958 458 HA PRO 57 HA PRO 57 -19.208 -5.510 3.779 459 HB2 PRO 57 HB2 PRO 57 -21.307 -3.751 3.627 460 HB3 PRO 57 HB1 PRO 57 -20.625 -4.357 5.139 461 HG2 PRO 57 HG2 PRO 57 -20.144 -1.760 3.750 462 HG3 PRO 57 HG1 PRO 57 -20.323 -2.089 5.482 463 HD2 PRO 57 HD2 PRO 57 -17.919 -1.679 4.339 464 HD3 PRO 57 HD1 PRO 57 -18.139 -2.791 5.696 465 H ASN 58 HN ASN 58 -19.013 -2.561 1.821 466 HA ASN 58 HA ASN 58 -19.918 -4.114 -0.507 467 HB2 ASN 58 HB2 ASN 58 -21.028 -1.421 0.313 468 HB3 ASN 58 HB1 ASN 58 -21.379 -2.237 -1.205 469 HD21 ASN 58 HD21 ASN 58 -21.851 -2.260 2.240 470 HD22 ASN 58 HD22 ASN 58 -23.189 -3.357 2.250 471 H SER 59 HN SER 59 -17.270 -3.309 0.119 472 HA SER 59 HA SER 59 -16.650 -0.863 -1.240 473 HB2 SER 59 HB2 SER 59 -14.255 -1.799 -0.972 474 HB3 SER 59 HB1 SER 59 -15.159 -1.375 0.479 475 HG SER 59 HG SER 59 -15.202 -4.001 -0.575 476 H LYS 60 HN LYS 60 -16.089 -0.525 -3.281 477 HA LYS 60 HA LYS 60 -15.398 -2.828 -4.964 478 HB2 LYS 60 HB2 LYS 60 -17.466 -0.720 -5.581 479 HB3 LYS 60 HB1 LYS 60 -16.774 -1.778 -6.802 480 HG2 LYS 60 HG2 LYS 60 -17.655 -3.725 -5.610 481 HG3 LYS 60 HG1 LYS 60 -18.356 -2.657 -4.392 482 HD2 LYS 60 HD2 LYS 60 -20.053 -3.321 -5.991 483 HD3 LYS 60 HD1 LYS 60 -19.723 -1.596 -6.146 484 HE2 LYS 60 HE2 LYS 60 -18.231 -2.098 -8.057 485 HE3 LYS 60 HE1 LYS 60 -18.678 -3.797 -7.926 486 HZ1 LYS 60 HZ1 LYS 60 -20.972 -3.183 -8.367 487 HZ2 LYS 60 HZ2 LYS 60 -19.964 -2.672 -9.623 488 HZ3 LYS 60 HZ3 LYS 60 -20.538 -1.555 -8.493 489 HA PRO 61 HA PRO 61 -12.419 0.697 -5.521 490 HB2 PRO 61 HB2 PRO 61 -10.202 -0.869 -5.558 491 HB3 PRO 61 HB1 PRO 61 -10.901 -0.217 -4.073 492 HG2 PRO 61 HG2 PRO 61 -11.190 -2.944 -5.268 493 HG3 PRO 61 HG1 PRO 61 -10.938 -2.490 -3.573 494 HD2 PRO 61 HD2 PRO 61 -13.370 -3.169 -4.555 495 HD3 PRO 61 HD1 PRO 61 -13.166 -1.983 -3.250 496 H ASP 62 HN ASP 62 -11.665 1.341 -7.441 497 HA ASP 62 HA ASP 62 -12.222 -0.402 -9.713 498 HB2 ASP 62 HB2 ASP 62 -11.577 2.548 -9.579 499 HB3 ASP 62 HB1 ASP 62 -11.858 1.665 -11.075 500 H ARG 63 HN ARG 63 -9.559 1.445 -8.314 501 HA ARG 63 HA ARG 63 -7.603 -0.232 -9.584 502 HB2 ARG 63 HB2 ARG 63 -6.570 1.568 -10.910 503 HB3 ARG 63 HB1 ARG 63 -8.202 1.210 -11.461 504 HG2 ARG 63 HG2 ARG 63 -8.875 3.147 -9.858 505 HG3 ARG 63 HG1 ARG 63 -7.178 3.605 -10.011 506 HD2 ARG 63 HD2 ARG 63 -7.399 3.729 -12.415 507 HD3 ARG 63 HD1 ARG 63 -9.068 3.167 -12.309 508 HE ARG 63 HE ARG 63 -8.431 5.608 -10.865 509 HH11 ARG 63 HH11 ARG 63 -9.666 4.166 -13.799 510 HH12 ARG 63 HH12 ARG 63 -10.613 5.550 -14.238 511 HH21 ARG 63 HH21 ARG 63 -9.662 7.451 -11.447 512 HH22 ARG 63 HH22 ARG 63 -10.588 7.427 -12.912 513 H PHE 64 HN PHE 64 -5.361 0.761 -9.228 514 HA PHE 64 HA PHE 64 -5.291 2.335 -6.746 515 HB2 PHE 64 HB2 PHE 64 -3.681 -0.100 -7.499 516 HB3 PHE 64 HB1 PHE 64 -3.105 1.049 -6.297 517 HD1 PHE 64 HD1 PHE 64 -4.251 1.311 -4.179 518 HD2 PHE 64 HD2 PHE 64 -5.489 -1.602 -7.018 519 HE1 PHE 64 HE1 PHE 64 -5.548 0.165 -2.428 520 HE2 PHE 64 HE2 PHE 64 -6.795 -2.753 -5.278 521 HZ PHE 64 HZ PHE 64 -6.824 -1.867 -2.977 522 H SER 65 HN SER 65 -4.012 4.083 -6.809 523 HA SER 65 HA SER 65 -1.921 4.222 -8.856 524 HB2 SER 65 HB2 SER 65 -2.581 6.634 -9.233 525 HB3 SER 65 HB1 SER 65 -3.746 5.450 -9.826 526 HG SER 65 HG SER 65 -3.918 6.717 -7.293 527 HA PRO 66 HA PRO 66 -0.302 5.679 -4.821 528 HB2 PRO 66 HB2 PRO 66 1.638 3.881 -4.489 529 HB3 PRO 66 HB1 PRO 66 -0.044 3.482 -4.126 530 HG2 PRO 66 HG2 PRO 66 1.610 2.742 -6.487 531 HG3 PRO 66 HG1 PRO 66 0.385 1.793 -5.630 532 HD2 PRO 66 HD2 PRO 66 -0.010 3.206 -8.007 533 HD3 PRO 66 HD1 PRO 66 -1.289 2.606 -6.931 534 H SER 67 HN SER 67 1.613 6.803 -4.397 535 HA SER 67 HA SER 67 3.747 6.853 -6.325 536 HB2 SER 67 HB2 SER 67 2.083 9.357 -5.975 537 HB3 SER 67 HB1 SER 67 3.547 9.196 -6.942 538 HG SER 67 HG SER 67 1.783 7.310 -7.671 539 H TYR 68 HN TYR 68 5.565 7.989 -5.601 540 HA TYR 68 HA TYR 68 5.517 8.542 -2.713 541 HB2 TYR 68 HB2 TYR 68 6.946 6.678 -3.188 542 HB3 TYR 68 HB1 TYR 68 7.713 7.529 -4.523 543 HD1 TYR 68 HD2 TYR 68 7.155 7.961 -0.846 544 HD2 TYR 68 HD1 TYR 68 9.793 8.418 -4.156 545 HE1 TYR 68 HE2 TYR 68 8.906 8.794 0.670 546 HE2 TYR 68 HE1 TYR 68 11.542 9.262 -2.643 547 HH TYR 68 HH TYR 68 11.315 9.036 0.752 548 H ASN 69 HN ASN 69 5.847 10.563 -2.093 549 HA ASN 69 HA ASN 69 7.071 12.415 -4.019 550 HB2 ASN 69 HB2 ASN 69 6.044 14.217 -2.569 551 HB3 ASN 69 HB1 ASN 69 4.911 13.219 -3.473 552 HD21 ASN 69 HD21 ASN 69 5.958 14.263 -0.407 553 HD22 ASN 69 HD22 ASN 69 4.782 13.425 0.538 554 H PHE 70 HN PHE 70 9.069 12.981 -3.695 555 HA PHE 70 HA PHE 70 10.530 12.255 -1.359 556 HB2 PHE 70 HB2 PHE 70 11.295 14.068 -3.656 557 HB3 PHE 70 HB1 PHE 70 12.406 13.472 -2.433 558 HD1 PHE 70 HD2 PHE 70 10.148 12.390 -5.156 559 HD2 PHE 70 HD1 PHE 70 13.475 11.419 -2.695 560 HE1 PHE 70 HE2 PHE 70 10.604 10.418 -6.557 561 HE2 PHE 70 HE1 PHE 70 13.938 9.446 -4.089 562 HZ PHE 70 HZ PHE 70 12.501 8.941 -6.024 563 H ALA 71 HN ALA 71 8.619 14.926 -2.157 564 HA ALA 71 HA ALA 71 9.919 17.037 -0.860 565 HB1 ALA 71 HB1 ALA 71 8.013 17.338 -2.358 566 HB2 ALA 71 HB2 ALA 71 7.732 18.113 -0.799 567 HB3 ALA 71 HB3 ALA 71 6.956 16.574 -1.172 568 H GLU 72 HN GLU 72 7.450 14.803 0.366 569 HA GLU 72 HA GLU 72 8.141 15.635 3.104 570 HB2 GLU 72 HB2 GLU 72 5.625 14.210 2.276 571 HB3 GLU 72 HB1 GLU 72 5.934 15.078 3.771 572 HG2 GLU 72 HG2 GLU 72 5.851 16.416 1.093 573 HG3 GLU 72 HG1 GLU 72 4.430 16.221 2.119 574 H ASN 73 HN ASN 73 8.786 13.364 0.943 575 HA ASN 73 HA ASN 73 9.121 11.155 0.765 576 HB2 ASN 73 HB2 ASN 73 10.294 10.013 2.651 577 HB3 ASN 73 HB1 ASN 73 11.040 11.514 2.133 578 HD21 ASN 73 HD21 ASN 73 9.027 10.042 4.590 579 HD22 ASN 73 HD22 ASN 73 9.414 11.168 5.842 580 H ILE 74 HN ILE 74 6.567 11.620 0.937 581 HA ILE 74 HA ILE 74 5.472 9.564 2.739 582 HB ILE 74 HB ILE 74 4.135 11.865 1.310 583 HG12 ILE 74 HG12 ILE 74 4.405 12.946 3.246 584 HG13 ILE 74 HG11 ILE 74 3.321 11.781 3.985 585 HG21 ILE 74 HG21 ILE 74 1.998 11.107 2.213 586 HG22 ILE 74 HG22 ILE 74 2.778 9.658 2.843 587 HG23 ILE 74 HG23 ILE 74 2.692 9.926 1.102 588 HD11 ILE 74 HD11 ILE 74 5.294 10.386 4.533 589 HD12 ILE 74 HD12 ILE 74 5.280 11.963 5.313 590 HD13 ILE 74 HD13 ILE 74 6.317 11.682 3.914 591 H LEU 75 HN LEU 75 4.211 7.905 1.896 592 HA LEU 75 HA LEU 75 4.261 7.603 -1.037 593 HB2 LEU 75 HB2 LEU 75 5.685 5.984 0.196 594 HB3 LEU 75 HB1 LEU 75 4.287 5.454 1.101 595 HG LEU 75 HG LEU 75 5.115 3.976 -0.821 596 HD11 LEU 75 HD11 LEU 75 3.012 3.550 0.256 597 HD12 LEU 75 HD12 LEU 75 2.820 3.362 -1.488 598 HD13 LEU 75 HD13 LEU 75 2.228 4.819 -0.686 599 HD21 LEU 75 HD21 LEU 75 4.278 4.522 -3.038 600 HD22 LEU 75 HD22 LEU 75 5.415 5.744 -2.470 601 HD23 LEU 75 HD23 LEU 75 3.685 6.072 -2.441 602 H TYR 76 HN TYR 76 2.266 8.274 -1.654 603 HA TYR 76 HA TYR 76 -0.013 7.592 0.033 604 HB2 TYR 76 HB2 TYR 76 -1.023 9.433 -0.778 605 HB3 TYR 76 HB1 TYR 76 0.569 9.866 -1.374 606 HD1 TYR 76 HD1 TYR 76 -2.744 8.595 -2.281 607 HD2 TYR 76 HD2 TYR 76 1.068 9.784 -3.744 608 HE1 TYR 76 HE1 TYR 76 -3.663 8.710 -4.555 609 HE2 TYR 76 HE2 TYR 76 0.157 9.897 -6.028 610 HH TYR 76 HH TYR 76 -1.724 8.924 -7.315 611 H ILE 77 HN ILE 77 -1.693 6.288 -0.602 612 HA ILE 77 HA ILE 77 -0.921 4.315 -2.606 613 HB ILE 77 HB ILE 77 -3.032 4.268 -0.454 614 HG12 ILE 77 HG12 ILE 77 -0.718 4.057 0.339 615 HG13 ILE 77 HG11 ILE 77 -1.613 2.560 0.567 616 HG21 ILE 77 HG21 ILE 77 -3.428 1.934 -1.048 617 HG22 ILE 77 HG22 ILE 77 -2.313 2.087 -2.406 618 HG23 ILE 77 HG23 ILE 77 -3.815 3.012 -2.391 619 HD11 ILE 77 HD11 ILE 77 -0.549 1.643 -1.446 620 HD12 ILE 77 HD12 ILE 77 0.624 2.101 -0.210 621 HD13 ILE 77 HD13 ILE 77 0.377 3.136 -1.618 622 H ASN 78 HN ASN 78 -3.679 6.351 -1.755 623 HA ASN 78 HA ASN 78 -4.603 6.428 -4.471 624 HB2 ASN 78 HB2 ASN 78 -5.384 4.189 -3.192 625 HB3 ASN 78 HB1 ASN 78 -6.636 5.282 -2.618 626 HD21 ASN 78 HD21 ASN 78 -6.720 2.947 -4.408 627 HD22 ASN 78 HD22 ASN 78 -7.466 3.503 -5.861 628 H GLY 79 HN GLY 79 -6.939 7.521 -4.374 629 HA2 GLY 79 HA2 GLY 79 -6.615 9.932 -2.841 630 HA3 GLY 79 HA1 GLY 79 -7.960 9.543 -3.903 631 H LYS 80 HN LYS 80 -6.886 7.546 -1.250 632 HA LYS 80 HA LYS 80 -9.338 8.206 0.244 633 HB2 LYS 80 HB2 LYS 80 -8.072 5.464 0.127 634 HB3 LYS 80 HB1 LYS 80 -9.608 5.897 0.858 635 HG2 LYS 80 HG2 LYS 80 -8.957 5.911 -2.076 636 HG3 LYS 80 HG1 LYS 80 -9.943 4.719 -1.228 637 HD2 LYS 80 HD2 LYS 80 -10.578 7.654 -1.541 638 HD3 LYS 80 HD1 LYS 80 -11.340 6.333 -2.426 639 HE2 LYS 80 HE2 LYS 80 -12.264 5.448 -0.369 640 HE3 LYS 80 HE1 LYS 80 -11.429 6.684 0.569 641 HZ1 LYS 80 HZ1 LYS 80 -13.690 7.343 0.276 642 HZ2 LYS 80 HZ2 LYS 80 -13.607 7.120 -1.396 643 HZ3 LYS 80 HZ3 LYS 80 -12.729 8.363 -0.666 644 H LEU 81 HN LEU 81 -6.068 6.892 0.332 645 HA LEU 81 HA LEU 81 -5.567 8.186 2.854 646 HB2 LEU 81 HB2 LEU 81 -4.659 6.006 3.834 647 HB3 LEU 81 HB1 LEU 81 -6.386 6.283 3.871 648 HG LEU 81 HG LEU 81 -6.628 4.791 1.893 649 HD11 LEU 81 HD11 LEU 81 -4.809 3.373 1.206 650 HD12 LEU 81 HD12 LEU 81 -3.732 4.126 2.384 651 HD13 LEU 81 HD13 LEU 81 -4.335 5.064 1.019 652 HD21 LEU 81 HD21 LEU 81 -6.149 2.706 3.141 653 HD22 LEU 81 HD22 LEU 81 -7.031 3.912 4.078 654 HD23 LEU 81 HD23 LEU 81 -5.304 3.673 4.352 655 H SER 82 HN SER 82 -3.390 8.281 3.446 656 HA SER 82 HA SER 82 -1.483 7.514 1.351 657 HB2 SER 82 HB2 SER 82 -0.255 9.660 2.001 658 HB3 SER 82 HB1 SER 82 -1.761 9.866 1.105 659 HG SER 82 HG SER 82 -1.537 11.250 2.975 660 H ILE 83 HN ILE 83 0.578 6.862 2.077 661 HA ILE 83 HA ILE 83 0.651 6.179 4.941 662 HB ILE 83 HB ILE 83 2.167 4.892 2.663 663 HG12 ILE 83 HG12 ILE 83 -0.217 4.424 2.462 664 HG13 ILE 83 HG11 ILE 83 0.634 2.977 2.989 665 HG21 ILE 83 HG21 ILE 83 3.324 4.747 4.805 666 HG22 ILE 83 HG22 ILE 83 2.735 3.167 4.291 667 HG23 ILE 83 HG23 ILE 83 1.879 4.059 5.547 668 HD11 ILE 83 HD11 ILE 83 -0.981 4.827 4.728 669 HD12 ILE 83 HD12 ILE 83 -0.095 3.409 5.289 670 HD13 ILE 83 HD13 ILE 83 -1.451 3.218 4.177 671 HA PRO 84 HA PRO 84 4.033 9.148 4.878 672 HB2 PRO 84 HB2 PRO 84 4.247 9.430 7.554 673 HB3 PRO 84 HB1 PRO 84 2.992 10.236 6.609 674 HG2 PRO 84 HG2 PRO 84 2.818 7.781 8.293 675 HG3 PRO 84 HG1 PRO 84 1.642 9.092 8.098 676 HD2 PRO 84 HD2 PRO 84 1.472 6.653 6.834 677 HD3 PRO 84 HD1 PRO 84 0.727 8.144 6.229 678 H LEU 85 HN LEU 85 6.171 8.726 4.815 679 HA LEU 85 HA LEU 85 7.016 6.158 5.965 680 HB2 LEU 85 HB2 LEU 85 8.308 7.825 3.804 681 HB3 LEU 85 HB1 LEU 85 8.874 6.260 4.361 682 HG LEU 85 HG LEU 85 6.280 6.817 2.924 683 HD11 LEU 85 HD11 LEU 85 7.284 5.417 1.171 684 HD12 LEU 85 HD12 LEU 85 8.780 5.360 2.100 685 HD13 LEU 85 HD13 LEU 85 8.196 6.897 1.463 686 HD21 LEU 85 HD21 LEU 85 5.943 5.055 4.552 687 HD22 LEU 85 HD22 LEU 85 7.393 4.224 3.989 688 HD23 LEU 85 HD23 LEU 85 5.992 4.371 2.927 689 HA PRO 86 HA PRO 86 9.624 8.181 8.897 690 HB2 PRO 86 HB2 PRO 86 11.514 6.269 9.245 691 HB3 PRO 86 HB1 PRO 86 9.881 6.131 9.899 692 HG2 PRO 86 HG2 PRO 86 11.042 4.919 7.428 693 HG3 PRO 86 HG1 PRO 86 9.973 4.184 8.635 694 HD2 PRO 86 HD2 PRO 86 9.080 5.104 6.251 695 HD3 PRO 86 HD1 PRO 86 8.087 5.133 7.723 696 H ARG 87 HN ARG 87 11.416 9.433 8.963 697 HA ARG 87 HA ARG 87 12.741 9.901 6.449 698 HB2 ARG 87 HB2 ARG 87 12.852 11.264 9.130 699 HB3 ARG 87 HB1 ARG 87 13.953 11.696 7.833 700 HG2 ARG 87 HG2 ARG 87 12.173 13.248 7.779 701 HG3 ARG 87 HG1 ARG 87 11.943 12.161 6.408 702 HD2 ARG 87 HD2 ARG 87 10.323 10.873 7.774 703 HD3 ARG 87 HD1 ARG 87 10.498 12.078 9.049 704 HE ARG 87 HE ARG 87 9.820 13.383 6.660 705 HH11 ARG 87 HH11 ARG 87 8.428 11.199 9.007 706 HH12 ARG 87 HH12 ARG 87 6.803 11.743 8.746 707 HH21 ARG 87 HH21 ARG 87 7.683 14.119 6.306 708 HH22 ARG 87 HH22 ARG 87 6.379 13.424 7.215 709 H ASP 88 HN ASP 88 13.287 7.822 8.973 710 HA ASP 88 HA ASP 88 16.166 8.000 9.060 711 HB2 ASP 88 HB2 ASP 88 14.911 7.236 11.025 712 HB3 ASP 88 HB1 ASP 88 14.265 5.885 10.103 713 H ILE 89 HN ILE 89 13.830 6.602 7.065 714 HA ILE 89 HA ILE 89 15.725 4.630 5.995 715 HB ILE 89 HB ILE 89 12.733 4.776 5.635 716 HG12 ILE 89 HG12 ILE 89 14.436 2.943 7.333 717 HG13 ILE 89 HG11 ILE 89 13.379 4.216 7.932 718 HG21 ILE 89 HG21 ILE 89 12.938 2.554 4.645 719 HG22 ILE 89 HG22 ILE 89 14.692 2.632 4.819 720 HG23 ILE 89 HG23 ILE 89 13.863 3.744 3.730 721 HD11 ILE 89 HD11 ILE 89 11.453 3.027 7.047 722 HD12 ILE 89 HD12 ILE 89 12.365 2.038 8.185 723 HD13 ILE 89 HD13 ILE 89 12.514 1.753 6.451 724 H VAL 90 HN VAL 90 16.522 4.903 4.029 725 HA VAL 90 HA VAL 90 15.640 7.140 2.406 726 HB VAL 90 HB VAL 90 17.831 5.109 1.922 727 HG11 VAL 90 HG11 VAL 90 17.114 7.598 0.371 728 HG12 VAL 90 HG12 VAL 90 16.947 5.933 -0.190 729 HG13 VAL 90 HG13 VAL 90 18.548 6.609 0.111 730 HG21 VAL 90 HG21 VAL 90 19.336 6.995 2.403 731 HG22 VAL 90 HG22 VAL 90 18.310 6.604 3.782 732 HG23 VAL 90 HG23 VAL 90 17.938 8.002 2.775 733 H VAL 91 HN VAL 91 14.046 6.932 1.011 734 HA VAL 91 HA VAL 91 13.495 4.268 -0.092 735 HB VAL 91 HB VAL 91 11.864 4.535 1.596 736 HG11 VAL 91 HG11 VAL 91 12.197 6.911 2.029 737 HG12 VAL 91 HG12 VAL 91 10.486 6.511 1.882 738 HG13 VAL 91 HG13 VAL 91 11.324 7.303 0.548 739 HG21 VAL 91 HG21 VAL 91 10.960 3.759 -0.529 740 HG22 VAL 91 HG22 VAL 91 10.603 5.424 -0.988 741 HG23 VAL 91 HG23 VAL 91 9.762 4.685 0.375 742 H ASN 92 HN ASN 92 13.053 4.148 -2.167 743 HA ASN 92 HA ASN 92 12.434 6.544 -3.715 744 HB2 ASN 92 HB2 ASN 92 14.193 5.264 -5.381 745 HB3 ASN 92 HB1 ASN 92 14.577 6.679 -4.413 746 HD21 ASN 92 HD21 ASN 92 14.614 3.176 -4.430 747 HD22 ASN 92 HD22 ASN 92 15.974 3.003 -3.377 748 H ALA 93 HN ALA 93 11.877 5.930 -5.995 749 HA ALA 93 HA ALA 93 9.739 4.106 -5.900 750 HB1 ALA 93 HB1 ALA 93 9.756 6.078 -7.330 751 HB2 ALA 93 HB2 ALA 93 9.459 4.614 -8.268 752 HB3 ALA 93 HB3 ALA 93 11.050 5.373 -8.298 753 H ALA 94 HN ALA 94 13.042 3.646 -6.542 754 HA ALA 94 HA ALA 94 12.666 1.226 -8.121 755 HB1 ALA 94 HB1 ALA 94 15.100 1.125 -8.175 756 HB2 ALA 94 HB2 ALA 94 15.190 2.450 -7.016 757 HB3 ALA 94 HB3 ALA 94 14.532 2.731 -8.628 758 H ASP 95 HN ASP 95 12.693 2.071 -4.891 759 HA ASP 95 HA ASP 95 13.642 -0.575 -4.004 760 HB2 ASP 95 HB2 ASP 95 14.858 1.423 -3.144 761 HB3 ASP 95 HB1 ASP 95 13.360 1.990 -2.420 762 H ILE 96 HN ILE 96 11.038 1.681 -4.039 763 HA ILE 96 HA ILE 96 9.334 0.462 -2.133 764 HB ILE 96 HB ILE 96 8.776 2.266 -4.487 765 HG12 ILE 96 HG12 ILE 96 8.731 2.940 -1.554 766 HG13 ILE 96 HG11 ILE 96 10.183 3.092 -2.542 767 HG21 ILE 96 HG21 ILE 96 6.783 0.944 -3.866 768 HG22 ILE 96 HG22 ILE 96 6.579 2.664 -3.537 769 HG23 ILE 96 HG23 ILE 96 6.919 1.546 -2.214 770 HD11 ILE 96 HD11 ILE 96 8.977 5.208 -2.288 771 HD12 ILE 96 HD12 ILE 96 7.577 4.486 -3.082 772 HD13 ILE 96 HD13 ILE 96 9.088 4.686 -3.968 773 H LYS 97 HN LYS 97 8.522 -1.518 -2.311 774 HA LYS 97 HA LYS 97 7.878 -2.553 -4.990 775 HB2 LYS 97 HB2 LYS 97 8.212 -4.139 -2.446 776 HB3 LYS 97 HB1 LYS 97 8.113 -4.765 -4.081 777 HG2 LYS 97 HG2 LYS 97 10.365 -3.216 -2.836 778 HG3 LYS 97 HG1 LYS 97 10.379 -4.881 -3.409 779 HD2 LYS 97 HD2 LYS 97 10.050 -2.428 -5.140 780 HD3 LYS 97 HD1 LYS 97 11.528 -3.374 -4.971 781 HE2 LYS 97 HE2 LYS 97 10.450 -5.306 -5.947 782 HE3 LYS 97 HE1 LYS 97 8.909 -4.452 -6.008 783 HZ1 LYS 97 HZ1 LYS 97 10.050 -4.493 -8.159 784 HZ2 LYS 97 HZ2 LYS 97 11.350 -3.638 -7.492 785 HZ3 LYS 97 HZ3 LYS 97 9.827 -2.917 -7.595 786 H ILE 98 HN ILE 98 5.803 -2.015 -5.388 787 HA ILE 98 HA ILE 98 3.808 -2.538 -3.292 788 HB ILE 98 HB ILE 98 3.510 -0.890 -5.810 789 HG12 ILE 98 HG12 ILE 98 3.911 -0.070 -2.926 790 HG13 ILE 98 HG11 ILE 98 5.034 0.181 -4.255 791 HG21 ILE 98 HG21 ILE 98 1.662 -1.281 -3.458 792 HG22 ILE 98 HG22 ILE 98 1.405 -1.852 -5.107 793 HG23 ILE 98 HG23 ILE 98 1.415 -0.123 -4.765 794 HD11 ILE 98 HD11 ILE 98 3.921 2.240 -3.768 795 HD12 ILE 98 HD12 ILE 98 2.342 1.466 -3.900 796 HD13 ILE 98 HD13 ILE 98 3.359 1.643 -5.330 797 H PHE 99 HN PHE 99 2.601 -4.279 -3.479 798 HA PHE 99 HA PHE 99 2.015 -5.379 -6.137 799 HB2 PHE 99 HB2 PHE 99 3.089 -6.883 -3.752 800 HB3 PHE 99 HB1 PHE 99 2.263 -7.685 -5.080 801 HD1 PHE 99 HD1 PHE 99 5.276 -5.782 -4.130 802 HD2 PHE 99 HD2 PHE 99 3.352 -8.085 -7.145 803 HE1 PHE 99 HE1 PHE 99 7.405 -5.964 -5.352 804 HE2 PHE 99 HE2 PHE 99 5.477 -8.265 -8.370 805 HZ PHE 99 HZ PHE 99 7.507 -7.203 -7.472 806 H HIS 100 HN HIS 100 -0.102 -5.555 -6.380 807 HA HIS 100 HA HIS 100 -1.807 -5.639 -4.003 808 HB2 HIS 100 HB2 HIS 100 -2.414 -3.926 -5.603 809 HB3 HIS 100 HB1 HIS 100 -2.470 -5.105 -6.906 810 HD1 HIS 100 HD1 HIS 100 -4.837 -5.493 -7.550 811 HD2 HIS 100 HD2 HIS 100 -4.402 -4.996 -3.434 812 HE1 HIS 100 HE1 HIS 100 -7.110 -5.901 -6.566 813 HE2 HIS 100 HE2 HIS 100 -6.866 -5.408 -4.110 814 H ILE 101 HN ILE 101 -2.186 -7.635 -3.287 815 HA ILE 101 HA ILE 101 -2.617 -9.799 -5.192 816 HB ILE 101 HB ILE 101 -2.519 -9.808 -2.170 817 HG12 ILE 101 HG12 ILE 101 -0.636 -11.466 -2.688 818 HG13 ILE 101 HG11 ILE 101 -0.700 -10.851 -4.335 819 HG21 ILE 101 HG21 ILE 101 -2.840 -12.221 -3.928 820 HG22 ILE 101 HG22 ILE 101 -4.200 -11.392 -3.181 821 HG23 ILE 101 HG23 ILE 101 -2.956 -12.126 -2.169 822 HD11 ILE 101 HD11 ILE 101 -0.138 -9.246 -1.867 823 HD12 ILE 101 HD12 ILE 101 -0.173 -8.626 -3.520 824 HD13 ILE 101 HD13 ILE 101 1.056 -9.803 -3.039 825 H ARG 102 HN ARG 102 -4.551 -9.784 -6.100 826 HA ARG 102 HA ARG 102 -6.857 -8.694 -4.816 827 HB2 ARG 102 HB2 ARG 102 -8.056 -9.669 -6.833 828 HB3 ARG 102 HB1 ARG 102 -6.819 -8.461 -7.151 829 HG2 ARG 102 HG2 ARG 102 -5.235 -10.252 -7.694 830 HG3 ARG 102 HG1 ARG 102 -6.512 -11.441 -7.428 831 HD2 ARG 102 HD2 ARG 102 -6.607 -9.210 -9.448 832 HD3 ARG 102 HD1 ARG 102 -6.178 -10.881 -9.810 833 HE ARG 102 HE ARG 102 -8.707 -10.715 -8.519 834 HH11 ARG 102 HH11 ARG 102 -7.125 -10.227 -11.600 835 HH12 ARG 102 HH12 ARG 102 -8.546 -10.576 -12.531 836 HH21 ARG 102 HH21 ARG 102 -10.583 -11.168 -9.727 837 HH22 ARG 102 HH22 ARG 102 -10.524 -11.104 -11.459 838 H LYS 103 HN LYS 103 -5.424 -11.827 -4.984 839 HA LYS 103 HA LYS 103 -7.628 -13.447 -4.390 840 HB2 LYS 103 HB2 LYS 103 -5.458 -14.358 -5.057 841 HB3 LYS 103 HB1 LYS 103 -4.731 -13.759 -3.576 842 HG2 LYS 103 HG2 LYS 103 -6.044 -15.286 -2.258 843 HG3 LYS 103 HG1 LYS 103 -6.917 -15.824 -3.693 844 HD2 LYS 103 HD2 LYS 103 -5.242 -17.459 -3.155 845 HD3 LYS 103 HD1 LYS 103 -4.760 -16.629 -4.633 846 HE2 LYS 103 HE2 LYS 103 -3.257 -15.194 -3.294 847 HE3 LYS 103 HE1 LYS 103 -3.700 -16.112 -1.855 848 HZ1 LYS 103 HZ1 LYS 103 -2.815 -18.107 -2.930 849 HZ2 LYS 103 HZ2 LYS 103 -1.623 -16.917 -2.772 850 HZ3 LYS 103 HZ3 LYS 103 -2.350 -17.188 -4.277 851 H GLU 104 HN GLU 104 -5.356 -11.792 -2.240 852 HA GLU 104 HA GLU 104 -6.917 -12.527 0.098 853 HB2 GLU 104 HB2 GLU 104 -4.348 -10.943 -0.122 854 HB3 GLU 104 HB1 GLU 104 -5.083 -11.504 1.371 855 HG2 GLU 104 HG2 GLU 104 -4.051 -13.285 -0.824 856 HG3 GLU 104 HG1 GLU 104 -3.179 -12.881 0.654 857 H ARG 105 HN ARG 105 -7.046 -10.204 -2.192 858 HA ARG 105 HA ARG 105 -7.871 -8.097 -2.404 859 HB2 ARG 105 HB2 ARG 105 -9.177 -8.687 0.262 860 HB3 ARG 105 HB1 ARG 105 -9.652 -7.423 -0.863 861 HG2 ARG 105 HG2 ARG 105 -9.744 -10.372 -1.452 862 HG3 ARG 105 HG1 ARG 105 -11.120 -9.398 -0.936 863 HD2 ARG 105 HD2 ARG 105 -10.944 -8.036 -2.925 864 HD3 ARG 105 HD1 ARG 105 -9.494 -8.905 -3.422 865 HE ARG 105 HE ARG 105 -11.801 -10.585 -3.059 866 HH11 ARG 105 HH11 ARG 105 -10.053 -8.539 -5.292 867 HH12 ARG 105 HH12 ARG 105 -10.665 -9.335 -6.706 868 HH21 ARG 105 HH21 ARG 105 -12.616 -11.638 -4.927 869 HH22 ARG 105 HH22 ARG 105 -12.128 -11.091 -6.498 870 H THR 106 HN THR 106 -5.280 -8.326 -1.327 871 HA THR 106 HA THR 106 -5.239 -6.170 0.673 872 HB THR 106 HB THR 106 -3.546 -8.675 0.763 873 HG1 THR 106 HG1 THR 106 -5.949 -8.667 1.391 874 HG21 THR 106 HG21 THR 106 -2.943 -7.814 3.026 875 HG22 THR 106 HG22 THR 106 -3.753 -6.302 2.611 876 HG23 THR 106 HG23 THR 106 -2.341 -6.827 1.696 877 H LEU 107 HN LEU 107 -3.598 -4.711 0.499 878 HA LEU 107 HA LEU 107 -1.818 -5.027 -1.823 879 HB2 LEU 107 HB2 LEU 107 -3.311 -3.083 -1.907 880 HB3 LEU 107 HB1 LEU 107 -2.695 -2.531 -0.363 881 HG LEU 107 HG LEU 107 -0.484 -2.160 -1.360 882 HD11 LEU 107 HD11 LEU 107 -0.508 -3.873 -3.064 883 HD12 LEU 107 HD12 LEU 107 -0.228 -2.296 -3.803 884 HD13 LEU 107 HD13 LEU 107 -1.817 -3.050 -3.908 885 HD21 LEU 107 HD21 LEU 107 -2.710 -0.883 -2.934 886 HD22 LEU 107 HD22 LEU 107 -1.069 -0.262 -2.752 887 HD23 LEU 107 HD23 LEU 107 -2.139 -0.355 -1.352 888 H TYR 108 HN TYR 108 0.230 -5.472 -1.408 889 HA TYR 108 HA TYR 108 1.242 -5.019 1.307 890 HB2 TYR 108 HB2 TYR 108 2.262 -6.830 -0.889 891 HB3 TYR 108 HB1 TYR 108 2.987 -6.670 0.707 892 HD1 TYR 108 HD2 TYR 108 -0.247 -7.517 -0.922 893 HD2 TYR 108 HD1 TYR 108 2.339 -8.134 2.389 894 HE1 TYR 108 HE2 TYR 108 -1.743 -9.268 -0.097 895 HE2 TYR 108 HE1 TYR 108 0.844 -9.894 3.234 896 HH TYR 108 HH TYR 108 -1.618 -10.502 3.004 897 H ILE 109 HN ILE 109 2.776 -3.604 1.703 898 HA ILE 109 HA ILE 109 4.271 -2.437 -0.558 899 HB ILE 109 HB ILE 109 3.732 -1.183 2.133 900 HG12 ILE 109 HG12 ILE 109 1.631 -1.431 0.897 901 HG13 ILE 109 HG11 ILE 109 2.101 0.261 1.004 902 HG21 ILE 109 HG21 ILE 109 4.527 0.875 1.119 903 HG22 ILE 109 HG22 ILE 109 4.805 0.030 -0.405 904 HG23 ILE 109 HG23 ILE 109 5.756 -0.387 1.020 905 HD11 ILE 109 HD11 ILE 109 2.516 -1.508 -1.392 906 HD12 ILE 109 HD12 ILE 109 2.891 0.211 -1.276 907 HD13 ILE 109 HD13 ILE 109 1.217 -0.333 -1.195 908 H TYR 110 HN TYR 110 6.352 -3.040 -0.594 909 HA TYR 110 HA TYR 110 7.701 -3.515 1.986 910 HB2 TYR 110 HB2 TYR 110 8.300 -4.846 -0.663 911 HB3 TYR 110 HB1 TYR 110 9.180 -5.107 0.833 912 HD1 TYR 110 HD2 TYR 110 6.010 -5.713 -0.933 913 HD2 TYR 110 HD1 TYR 110 8.321 -6.569 2.537 914 HE1 TYR 110 HE2 TYR 110 4.499 -7.571 -0.389 915 HE2 TYR 110 HE1 TYR 110 6.815 -8.429 3.088 916 HH TYR 110 HH TYR 110 4.680 -9.270 2.645 917 H ILE 111 HN ILE 111 9.362 -2.197 2.392 918 HA ILE 111 HA ILE 111 10.662 -0.847 0.124 919 HB ILE 111 HB ILE 111 9.931 0.475 2.748 920 HG12 ILE 111 HG12 ILE 111 8.830 0.963 -0.032 921 HG13 ILE 111 HG11 ILE 111 7.987 0.091 1.244 922 HG21 ILE 111 HG21 ILE 111 11.266 1.579 0.277 923 HG22 ILE 111 HG22 ILE 111 12.021 1.321 1.850 924 HG23 ILE 111 HG23 ILE 111 10.752 2.534 1.669 925 HD11 ILE 111 HD11 ILE 111 7.181 2.370 1.041 926 HD12 ILE 111 HD12 ILE 111 8.807 2.983 1.330 927 HD13 ILE 111 HD13 ILE 111 7.955 2.112 2.604 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 5.819 17.885 -7.657 2 H2 GLY 1 HT2 GLY 1 4.481 18.800 -7.173 3 H3 GLY 1 HT3 GLY 1 4.406 17.109 -7.147 4 HA2 GLY 1 HA1 GLY 1 4.692 17.988 -4.920 5 HA3 GLY 1 HA2 GLY 1 6.063 17.008 -5.418 6 HA PRO 2 HA PRO 2 7.254 21.517 -4.377 7 HB2 PRO 2 HB2 PRO 2 7.614 21.508 -1.713 8 HB3 PRO 2 HB1 PRO 2 6.036 21.809 -2.448 9 HG2 PRO 2 HG2 PRO 2 7.103 19.311 -1.207 10 HG3 PRO 2 HG1 PRO 2 5.485 20.022 -1.082 11 HD2 PRO 2 HD2 PRO 2 6.133 17.939 -2.752 12 HD3 PRO 2 HD1 PRO 2 4.782 19.056 -3.028 13 H HIS 3 HN HIS 3 8.719 18.926 -4.945 14 HA HIS 3 HA HIS 3 11.321 19.914 -4.716 15 HB2 HIS 3 HB2 HIS 3 11.107 19.362 -2.313 16 HB3 HIS 3 HB1 HIS 3 10.733 17.695 -2.731 17 HD1 HIS 3 HD1 HIS 3 12.852 17.059 -1.254 18 HD2 HIS 3 HD2 HIS 3 13.675 19.198 -4.725 19 HE1 HIS 3 HE1 HIS 3 15.320 16.805 -1.638 20 HE2 HIS 3 HE2 HIS 3 15.764 17.972 -3.825 21 H MET 4 HN MET 4 10.040 16.624 -4.284 22 HA MET 4 HA MET 4 10.545 15.924 -7.020 23 HB2 MET 4 HB2 MET 4 12.824 15.793 -6.146 24 HB3 MET 4 HB1 MET 4 12.281 14.761 -4.833 25 HG2 MET 4 HG2 MET 4 13.415 13.524 -6.624 26 HG3 MET 4 HG1 MET 4 11.752 12.994 -6.368 27 HE1 MET 4 HE1 MET 4 11.952 11.719 -8.708 28 HE2 MET 4 HE2 MET 4 13.572 12.360 -8.982 29 HE3 MET 4 HE3 MET 4 12.335 12.523 -10.229 30 H SER 5 HN SER 5 9.245 14.280 -7.597 31 HA SER 5 HA SER 5 8.268 12.401 -5.609 32 HB2 SER 5 HB2 SER 5 6.228 13.887 -7.259 33 HB3 SER 5 HB1 SER 5 5.978 12.905 -5.813 34 HG SER 5 HG SER 5 7.281 15.424 -5.934 35 H VAL 6 HN VAL 6 7.534 10.475 -6.517 36 HA VAL 6 HA VAL 6 7.615 10.271 -9.449 37 HB VAL 6 HB VAL 6 8.828 8.107 -9.243 38 HG11 VAL 6 HG11 VAL 6 10.053 10.099 -9.872 39 HG12 VAL 6 HG12 VAL 6 11.051 9.075 -8.840 40 HG13 VAL 6 HG13 VAL 6 10.286 10.517 -8.174 41 HG21 VAL 6 HG21 VAL 6 8.371 7.491 -6.987 42 HG22 VAL 6 HG22 VAL 6 9.103 8.970 -6.372 43 HG23 VAL 6 HG23 VAL 6 10.112 7.735 -7.123 44 H GLN 7 HN GLN 7 6.412 8.504 -10.305 45 HA GLN 7 HA GLN 7 4.325 7.560 -8.484 46 HB2 GLN 7 HB2 GLN 7 2.977 7.081 -10.391 47 HB3 GLN 7 HB1 GLN 7 3.678 8.667 -10.654 48 HG2 GLN 7 HG2 GLN 7 4.730 6.123 -11.867 49 HG3 GLN 7 HG1 GLN 7 3.613 7.222 -12.667 50 HE21 GLN 7 HE21 GLN 7 6.867 6.709 -11.604 51 HE22 GLN 7 HE22 GLN 7 7.575 8.030 -12.469 52 H ILE 8 HN ILE 8 3.972 5.405 -8.072 53 HA ILE 8 HA ILE 8 6.136 3.626 -9.007 54 HB ILE 8 HB ILE 8 4.520 3.014 -6.562 55 HG12 ILE 8 HG12 ILE 8 5.314 5.323 -6.219 56 HG13 ILE 8 HG11 ILE 8 6.135 4.197 -5.148 57 HG21 ILE 8 HG21 ILE 8 7.382 2.443 -7.339 58 HG22 ILE 8 HG22 ILE 8 6.025 1.327 -7.504 59 HG23 ILE 8 HG23 ILE 8 6.553 1.842 -5.902 60 HD11 ILE 8 HD11 ILE 8 7.250 5.382 -7.678 61 HD12 ILE 8 HD12 ILE 8 8.074 4.218 -6.640 62 HD13 ILE 8 HD13 ILE 8 7.681 5.822 -6.026 63 HA PRO 9 HA PRO 9 2.739 1.458 -10.964 64 HB2 PRO 9 HB2 PRO 9 4.237 -0.535 -12.052 65 HB3 PRO 9 HB1 PRO 9 4.128 1.084 -12.751 66 HG2 PRO 9 HG2 PRO 9 6.282 -0.107 -11.055 67 HG3 PRO 9 HG1 PRO 9 6.424 0.952 -12.471 68 HD2 PRO 9 HD2 PRO 9 6.673 1.843 -9.910 69 HD3 PRO 9 HD1 PRO 9 6.074 2.858 -11.236 70 H VAL 10 HN VAL 10 1.405 0.037 -10.058 71 HA VAL 10 HA VAL 10 2.489 -1.802 -8.049 72 HB VAL 10 HB VAL 10 0.794 -0.495 -7.062 73 HG11 VAL 10 HG11 VAL 10 -0.946 -1.117 -9.443 74 HG12 VAL 10 HG12 VAL 10 -0.211 0.440 -9.052 75 HG13 VAL 10 HG13 VAL 10 -1.459 -0.234 -8.004 76 HG21 VAL 10 HG21 VAL 10 0.639 -2.902 -6.568 77 HG22 VAL 10 HG22 VAL 10 -0.539 -3.079 -7.868 78 HG23 VAL 10 HG23 VAL 10 -0.923 -2.091 -6.458 79 H VAL 11 HN VAL 11 2.559 -3.896 -8.389 80 HA VAL 11 HA VAL 11 1.420 -4.959 -10.865 81 HB VAL 11 HB VAL 11 3.388 -6.194 -8.925 82 HG11 VAL 11 HG11 VAL 11 2.589 -7.136 -11.675 83 HG12 VAL 11 HG12 VAL 11 2.031 -7.842 -10.160 84 HG13 VAL 11 HG13 VAL 11 3.742 -7.908 -10.585 85 HG21 VAL 11 HG21 VAL 11 4.314 -4.260 -10.088 86 HG22 VAL 11 HG22 VAL 11 3.837 -4.954 -11.638 87 HG23 VAL 11 HG23 VAL 11 5.062 -5.754 -10.654 88 H GLU 12 HN GLU 12 -0.429 -6.089 -10.808 89 HA GLU 12 HA GLU 12 -1.420 -6.994 -8.223 90 HB2 GLU 12 HB2 GLU 12 -2.820 -7.030 -10.896 91 HB3 GLU 12 HB1 GLU 12 -3.554 -7.342 -9.328 92 HG2 GLU 12 HG2 GLU 12 -2.840 -5.010 -8.681 93 HG3 GLU 12 HG1 GLU 12 -2.465 -4.760 -10.377 94 H VAL 13 HN VAL 13 -0.837 -8.868 -7.575 95 HA VAL 13 HA VAL 13 -0.635 -11.099 -9.491 96 HB VAL 13 HB VAL 13 1.185 -12.001 -7.928 97 HG11 VAL 13 HG11 VAL 13 1.656 -9.595 -9.668 98 HG12 VAL 13 HG12 VAL 13 1.731 -11.291 -10.140 99 HG13 VAL 13 HG13 VAL 13 2.941 -10.625 -9.045 100 HG21 VAL 13 HG21 VAL 13 2.474 -10.294 -6.716 101 HG22 VAL 13 HG22 VAL 13 0.839 -10.466 -6.076 102 HG23 VAL 13 HG23 VAL 13 1.241 -9.097 -7.113 103 H ASP 14 HN ASP 14 -0.276 -13.217 -7.984 104 HA ASP 14 HA ASP 14 -2.697 -13.366 -6.369 105 HB2 ASP 14 HB2 ASP 14 -2.143 -15.084 -8.130 106 HB3 ASP 14 HB1 ASP 14 -0.782 -15.581 -7.135 107 H GLU 15 HN GLU 15 0.741 -13.331 -6.117 108 HA GLU 15 HA GLU 15 0.688 -12.710 -3.378 109 HB2 GLU 15 HB2 GLU 15 1.733 -14.626 -2.401 110 HB3 GLU 15 HB1 GLU 15 0.297 -15.174 -3.253 111 HG2 GLU 15 HG2 GLU 15 1.697 -15.914 -5.120 112 HG3 GLU 15 HG1 GLU 15 3.132 -15.397 -4.234 113 H LEU 16 HN LEU 16 3.041 -12.694 -2.517 114 HA LEU 16 HA LEU 16 4.561 -11.201 -4.405 115 HB2 LEU 16 HB2 LEU 16 5.287 -12.146 -1.630 116 HB3 LEU 16 HB1 LEU 16 6.197 -10.987 -2.573 117 HG LEU 16 HG LEU 16 5.043 -9.665 -1.074 118 HD11 LEU 16 HD11 LEU 16 3.250 -9.771 -3.483 119 HD12 LEU 16 HD12 LEU 16 4.748 -8.850 -3.339 120 HD13 LEU 16 HD13 LEU 16 3.364 -8.445 -2.325 121 HD21 LEU 16 HD21 LEU 16 2.708 -9.921 -0.470 122 HD22 LEU 16 HD22 LEU 16 3.622 -11.391 -0.140 123 HD23 LEU 16 HD23 LEU 16 2.571 -11.306 -1.552 124 HA PRO 17 HA PRO 17 7.323 -14.337 -5.952 125 HB2 PRO 17 HB2 PRO 17 9.541 -12.477 -5.593 126 HB3 PRO 17 HB1 PRO 17 8.897 -13.171 -7.077 127 HG2 PRO 17 HG2 PRO 17 8.582 -10.546 -6.321 128 HG3 PRO 17 HG1 PRO 17 7.533 -11.404 -7.457 129 HD2 PRO 17 HD2 PRO 17 7.006 -10.580 -4.682 130 HD3 PRO 17 HD1 PRO 17 5.874 -10.971 -5.981 131 H GLU 18 HN GLU 18 9.497 -15.270 -5.362 132 HA GLU 18 HA GLU 18 9.298 -16.073 -2.637 133 HB2 GLU 18 HB2 GLU 18 11.351 -16.727 -4.750 134 HB3 GLU 18 HB1 GLU 18 11.276 -17.490 -3.166 135 HG2 GLU 18 HG2 GLU 18 8.972 -18.237 -3.709 136 HG3 GLU 18 HG1 GLU 18 9.202 -17.608 -5.338 137 H GLY 19 HN GLY 19 10.387 -15.445 -0.909 138 HA2 GLY 19 HA2 GLY 19 12.420 -14.599 0.117 139 HA3 GLY 19 HA1 GLY 19 12.642 -13.579 -1.298 140 H TYR 20 HN TYR 20 9.464 -13.343 -0.869 141 HA TYR 20 HA TYR 20 9.708 -10.916 0.717 142 HB2 TYR 20 HB2 TYR 20 7.542 -12.057 -1.013 143 HB3 TYR 20 HB1 TYR 20 7.189 -10.757 0.120 144 HD1 TYR 20 HD2 TYR 20 8.997 -11.667 -2.944 145 HD2 TYR 20 HD1 TYR 20 8.021 -8.529 -0.248 146 HE1 TYR 20 HE2 TYR 20 9.798 -10.016 -4.576 147 HE2 TYR 20 HE1 TYR 20 8.818 -6.870 -1.880 148 HH TYR 20 HH TYR 20 10.556 -6.927 -3.809 149 H ASP 21 HN ASP 21 7.983 -10.429 2.327 150 HA ASP 21 HA ASP 21 7.496 -12.803 3.999 151 HB2 ASP 21 HB2 ASP 21 9.175 -11.265 4.951 152 HB3 ASP 21 HB1 ASP 21 8.008 -9.948 4.878 153 H ARG 22 HN ARG 22 5.421 -13.281 3.522 154 HA ARG 22 HA ARG 22 3.462 -11.104 3.441 155 HB2 ARG 22 HB2 ARG 22 3.463 -12.446 1.452 156 HB3 ARG 22 HB1 ARG 22 3.371 -13.930 2.387 157 HG2 ARG 22 HG2 ARG 22 1.143 -13.584 2.950 158 HG3 ARG 22 HG1 ARG 22 1.213 -11.867 2.558 159 HD2 ARG 22 HD2 ARG 22 -0.044 -13.125 0.893 160 HD3 ARG 22 HD1 ARG 22 1.397 -12.389 0.200 161 HE ARG 22 HE ARG 22 2.381 -14.527 0.019 162 HH11 ARG 22 HH11 ARG 22 -0.857 -14.673 1.334 163 HH12 ARG 22 HH12 ARG 22 -1.117 -16.317 0.849 164 HH21 ARG 22 HH21 ARG 22 2.049 -16.706 -0.608 165 HH22 ARG 22 HH22 ARG 22 0.543 -17.482 -0.233 166 H SER 23 HN SER 23 1.593 -11.140 4.650 167 HA SER 23 HA SER 23 1.564 -13.055 6.876 168 HB2 SER 23 HB2 SER 23 0.268 -11.202 8.074 169 HB3 SER 23 HB1 SER 23 1.981 -10.902 7.789 170 HG SER 23 HG SER 23 -0.169 -9.944 6.190 171 H2 PRO 24 HT1 PRO 24 -27.136 13.098 1.411 172 H3 PRO 24 HT2 PRO 24 -27.075 11.822 2.427 173 HA PRO 24 HA PRO 24 -25.455 10.865 1.428 174 HB2 PRO 24 HB2 PRO 24 -25.567 11.619 -1.311 175 HB3 PRO 24 HB1 PRO 24 -25.898 10.030 -0.608 176 HG2 PRO 24 HG2 PRO 24 -27.778 12.198 -1.339 177 HG3 PRO 24 HG1 PRO 24 -28.041 10.446 -1.291 178 HD2 PRO 24 HD2 PRO 24 -29.100 12.036 0.575 179 HD3 PRO 24 HD1 PRO 24 -28.449 10.444 1.004 180 H HIS 25 HN HIS 25 -25.189 13.215 2.668 181 HA HIS 25 HA HIS 25 -23.671 15.001 0.911 182 HB2 HIS 25 HB2 HIS 25 -25.325 16.032 2.410 183 HB3 HIS 25 HB1 HIS 25 -24.510 15.330 3.803 184 HD1 HIS 25 HD1 HIS 25 -22.434 16.517 4.688 185 HD2 HIS 25 HD2 HIS 25 -23.953 18.205 1.195 186 HE1 HIS 25 HE1 HIS 25 -21.227 18.708 4.403 187 HE2 HIS 25 HE2 HIS 25 -22.040 19.623 2.203 188 H GLU 26 HN GLU 26 -23.296 12.699 3.474 189 HA GLU 26 HA GLU 26 -20.574 13.529 4.034 190 HB2 GLU 26 HB2 GLU 26 -22.187 11.241 5.173 191 HB3 GLU 26 HB1 GLU 26 -20.621 11.786 5.757 192 HG2 GLU 26 HG2 GLU 26 -23.232 13.265 5.865 193 HG3 GLU 26 HG1 GLU 26 -22.274 12.655 7.213 194 H GLN 27 HN GLN 27 -19.443 11.012 4.593 195 HA GLN 27 HA GLN 27 -18.370 10.415 2.060 196 HB2 GLN 27 HB2 GLN 27 -18.214 8.893 4.657 197 HB3 GLN 27 HB1 GLN 27 -17.293 8.478 3.219 198 HG2 GLN 27 HG2 GLN 27 -16.266 10.732 3.294 199 HG3 GLN 27 HG1 GLN 27 -17.104 11.019 4.818 200 HE21 GLN 27 HE21 GLN 27 -14.600 9.215 3.217 201 HE22 GLN 27 HE22 GLN 27 -13.804 8.657 4.649 202 H GLN 28 HN GLN 28 -18.628 8.734 0.692 203 HA GLN 28 HA GLN 28 -21.245 7.609 0.545 204 HB2 GLN 28 HB2 GLN 28 -18.760 7.258 -1.117 205 HB3 GLN 28 HB1 GLN 28 -20.263 6.409 -1.460 206 HG2 GLN 28 HG2 GLN 28 -21.410 8.542 -1.705 207 HG3 GLN 28 HG1 GLN 28 -19.907 9.396 -1.367 208 HE21 GLN 28 HE21 GLN 28 -20.101 6.465 -3.266 209 HE22 GLN 28 HE22 GLN 28 -19.696 7.201 -4.784 210 H GLU 29 HN GLU 29 -21.747 5.385 0.391 211 HA GLU 29 HA GLU 29 -20.497 3.915 2.553 212 HB2 GLU 29 HB2 GLU 29 -22.352 2.320 2.246 213 HB3 GLU 29 HB1 GLU 29 -22.926 3.970 2.436 214 HG2 GLU 29 HG2 GLU 29 -23.397 4.161 0.120 215 HG3 GLU 29 HG1 GLU 29 -22.574 2.646 -0.238 216 H ASP 30 HN ASP 30 -20.283 4.052 -0.812 217 HA ASP 30 HA ASP 30 -19.358 1.327 -1.160 218 HB2 ASP 30 HB2 ASP 30 -19.006 2.035 -3.524 219 HB3 ASP 30 HB1 ASP 30 -20.656 2.269 -2.959 220 H VAL 31 HN VAL 31 -18.023 3.970 0.131 221 HA VAL 31 HA VAL 31 -15.424 3.932 -1.042 222 HB VAL 31 HB VAL 31 -16.300 5.016 1.644 223 HG11 VAL 31 HG11 VAL 31 -14.242 6.344 1.558 224 HG12 VAL 31 HG12 VAL 31 -13.781 5.530 0.063 225 HG13 VAL 31 HG13 VAL 31 -13.895 4.614 1.566 226 HG21 VAL 31 HG21 VAL 31 -17.477 6.095 -0.180 227 HG22 VAL 31 HG22 VAL 31 -15.951 6.392 -1.017 228 HG23 VAL 31 HG23 VAL 31 -16.289 7.200 0.513 229 HA PRO 32 HA PRO 32 -14.392 0.042 0.848 230 HB2 PRO 32 HB2 PRO 32 -11.748 0.102 0.070 231 HB3 PRO 32 HB1 PRO 32 -13.081 -0.470 -0.934 232 HG2 PRO 32 HG2 PRO 32 -11.673 2.153 -0.965 233 HG3 PRO 32 HG1 PRO 32 -12.318 1.206 -2.317 234 HD2 PRO 32 HD2 PRO 32 -13.569 3.392 -1.321 235 HD3 PRO 32 HD1 PRO 32 -14.453 2.028 -2.034 236 H GLU 33 HN GLU 33 -13.618 -0.529 2.789 237 HA GLU 33 HA GLU 33 -12.228 1.473 4.378 238 HB2 GLU 33 HB2 GLU 33 -14.209 0.402 5.388 239 HB3 GLU 33 HB1 GLU 33 -13.444 -1.174 5.217 240 HG2 GLU 33 HG2 GLU 33 -11.553 -0.180 6.632 241 HG3 GLU 33 HG1 GLU 33 -12.712 1.079 7.047 242 H TYR 34 HN TYR 34 -10.158 1.391 3.831 243 HA TYR 34 HA TYR 34 -8.749 -1.134 3.681 244 HB2 TYR 34 HB2 TYR 34 -7.804 1.715 3.396 245 HB3 TYR 34 HB1 TYR 34 -6.763 0.306 3.224 246 HD1 TYR 34 HD1 TYR 34 -7.527 -1.452 1.461 247 HD2 TYR 34 HD2 TYR 34 -8.847 2.591 1.532 248 HE1 TYR 34 HE1 TYR 34 -8.153 -1.619 -0.911 249 HE2 TYR 34 HE2 TYR 34 -9.472 2.438 -0.835 250 HH TYR 34 HH TYR 34 -9.665 -0.528 -2.488 251 H GLU 35 HN GLU 35 -7.237 -1.838 5.110 252 HA GLU 35 HA GLU 35 -7.103 -0.395 7.667 253 HB2 GLU 35 HB2 GLU 35 -8.542 -2.484 7.628 254 HB3 GLU 35 HB1 GLU 35 -7.064 -3.392 7.346 255 HG2 GLU 35 HG2 GLU 35 -6.162 -2.625 9.459 256 HG3 GLU 35 HG1 GLU 35 -7.605 -1.650 9.733 257 H VAL 36 HN VAL 36 -5.135 0.303 7.988 258 HA VAL 36 HA VAL 36 -2.917 -0.831 6.461 259 HB VAL 36 HB VAL 36 -3.097 1.787 7.962 260 HG11 VAL 36 HG11 VAL 36 -0.801 0.982 7.714 261 HG12 VAL 36 HG12 VAL 36 -1.093 2.418 6.735 262 HG13 VAL 36 HG13 VAL 36 -1.043 0.829 5.973 263 HG21 VAL 36 HG21 VAL 36 -3.389 1.215 5.016 264 HG22 VAL 36 HG22 VAL 36 -3.325 2.819 5.747 265 HG23 VAL 36 HG23 VAL 36 -4.668 1.736 6.113 266 H LYS 37 HN LYS 37 -1.168 -1.745 7.356 267 HA LYS 37 HA LYS 37 -0.683 -1.405 10.241 268 HB2 LYS 37 HB2 LYS 37 -0.282 -4.006 8.742 269 HB3 LYS 37 HB1 LYS 37 0.022 -3.725 10.447 270 HG2 LYS 37 HG2 LYS 37 -1.975 -4.886 10.443 271 HG3 LYS 37 HG1 LYS 37 -2.495 -3.206 10.591 272 HD2 LYS 37 HD2 LYS 37 -3.035 -3.107 8.255 273 HD3 LYS 37 HD1 LYS 37 -2.345 -4.703 7.979 274 HE2 LYS 37 HE2 LYS 37 -4.059 -5.667 9.457 275 HE3 LYS 37 HE1 LYS 37 -4.763 -4.064 9.656 276 HZ1 LYS 37 HZ1 LYS 37 -4.512 -5.544 7.105 277 HZ2 LYS 37 HZ2 LYS 37 -5.167 -3.996 7.277 278 HZ3 LYS 37 HZ3 LYS 37 -5.939 -5.330 7.987 279 H MET 38 HN MET 38 1.430 -0.917 10.694 280 HA MET 38 HA MET 38 3.267 -0.951 8.387 281 HB2 MET 38 HB2 MET 38 2.420 1.254 9.682 282 HB3 MET 38 HB1 MET 38 3.832 0.848 10.656 283 HG2 MET 38 HG2 MET 38 5.285 1.074 8.878 284 HG3 MET 38 HG1 MET 38 4.003 0.953 7.684 285 HE1 MET 38 HE1 MET 38 5.711 3.058 6.795 286 HE2 MET 38 HE2 MET 38 4.634 4.451 6.666 287 HE3 MET 38 HE3 MET 38 4.050 2.837 6.243 288 H LYS 39 HN LYS 39 5.313 -1.778 8.644 289 HA LYS 39 HA LYS 39 6.075 -2.745 11.301 290 HB2 LYS 39 HB2 LYS 39 4.687 -4.491 10.073 291 HB3 LYS 39 HB1 LYS 39 6.015 -4.617 8.933 292 HG2 LYS 39 HG2 LYS 39 6.544 -4.981 11.844 293 HG3 LYS 39 HG1 LYS 39 5.805 -6.286 10.922 294 HD2 LYS 39 HD2 LYS 39 7.690 -6.247 9.361 295 HD3 LYS 39 HD1 LYS 39 8.427 -4.935 10.281 296 HE2 LYS 39 HE2 LYS 39 7.784 -7.644 11.435 297 HE3 LYS 39 HE1 LYS 39 9.353 -7.213 10.757 298 HZ1 LYS 39 HZ1 LYS 39 9.261 -6.973 13.181 299 HZ2 LYS 39 HZ2 LYS 39 8.050 -5.805 13.022 300 HZ3 LYS 39 HZ3 LYS 39 9.599 -5.505 12.408 301 H ARG 40 HN ARG 40 8.222 -2.804 11.638 302 HA ARG 40 HA ARG 40 9.923 -1.753 9.493 303 HB2 ARG 40 HB2 ARG 40 10.035 -1.637 12.484 304 HB3 ARG 40 HB1 ARG 40 11.511 -1.440 11.556 305 HG2 ARG 40 HG2 ARG 40 10.605 0.709 12.128 306 HG3 ARG 40 HG1 ARG 40 10.501 0.468 10.386 307 HD2 ARG 40 HD2 ARG 40 8.475 1.500 11.261 308 HD3 ARG 40 HD1 ARG 40 8.139 -0.097 10.596 309 HE ARG 40 HE ARG 40 8.567 -0.489 13.288 310 HH11 ARG 40 HH11 ARG 40 6.380 1.437 11.352 311 HH12 ARG 40 HH12 ARG 40 5.073 1.328 12.489 312 HH21 ARG 40 HH21 ARG 40 6.850 -0.629 14.792 313 HH22 ARG 40 HH22 ARG 40 5.341 0.161 14.446 314 H PHE 41 HN PHE 41 11.631 -2.861 8.722 315 HA PHE 41 HA PHE 41 12.261 -5.444 9.996 316 HB2 PHE 41 HB2 PHE 41 12.355 -4.552 7.128 317 HB3 PHE 41 HB1 PHE 41 13.326 -5.910 7.680 318 HD1 PHE 41 HD1 PHE 41 9.822 -4.672 7.528 319 HD2 PHE 41 HD2 PHE 41 12.420 -8.030 7.788 320 HE1 PHE 41 HE1 PHE 41 7.907 -6.181 7.206 321 HE2 PHE 41 HE2 PHE 41 10.508 -9.543 7.472 322 HZ PHE 41 HZ PHE 41 8.246 -8.617 7.177 323 H LYS 42 HN LYS 42 14.476 -6.104 10.019 324 HA LYS 42 HA LYS 42 16.396 -3.884 9.824 325 HB2 LYS 42 HB2 LYS 42 15.858 -4.301 12.186 326 HB3 LYS 42 HB1 LYS 42 16.276 -5.996 11.990 327 HG2 LYS 42 HG2 LYS 42 18.588 -5.375 11.512 328 HG3 LYS 42 HG1 LYS 42 18.168 -3.672 11.702 329 HD2 LYS 42 HD2 LYS 42 17.572 -4.046 14.020 330 HD3 LYS 42 HD1 LYS 42 17.883 -5.774 13.846 331 HE2 LYS 42 HE2 LYS 42 20.236 -5.275 13.335 332 HE3 LYS 42 HE1 LYS 42 19.908 -3.559 13.564 333 HZ1 LYS 42 HZ1 LYS 42 19.587 -5.648 15.648 334 HZ2 LYS 42 HZ2 LYS 42 19.351 -3.988 15.857 335 HZ3 LYS 42 HZ3 LYS 42 20.897 -4.586 15.527 336 H GLY 43 HN GLY 43 17.922 -4.333 8.391 337 HA2 GLY 43 HA2 GLY 43 19.420 -5.479 7.088 338 HA3 GLY 43 HA1 GLY 43 19.416 -6.716 8.335 339 H ALA 44 HN ALA 44 16.860 -5.555 6.156 340 HA ALA 44 HA ALA 44 16.655 -8.293 5.090 341 HB1 ALA 44 HB1 ALA 44 14.851 -7.872 6.708 342 HB2 ALA 44 HB2 ALA 44 14.230 -8.087 5.071 343 HB3 ALA 44 HB3 ALA 44 14.346 -6.470 5.765 344 H ALA 45 HN ALA 45 15.270 -8.270 3.023 345 HA ALA 45 HA ALA 45 16.518 -6.510 1.160 346 HB1 ALA 45 HB1 ALA 45 14.197 -8.384 0.728 347 HB2 ALA 45 HB2 ALA 45 15.900 -8.827 0.614 348 HB3 ALA 45 HB3 ALA 45 15.213 -7.666 -0.522 349 H TYR 46 HN TYR 46 14.066 -5.987 3.253 350 HA TYR 46 HA TYR 46 13.197 -3.613 1.868 351 HB2 TYR 46 HB2 TYR 46 10.756 -4.377 2.742 352 HB3 TYR 46 HB1 TYR 46 11.319 -4.674 1.098 353 HD1 TYR 46 HD1 TYR 46 11.423 -6.284 4.467 354 HD2 TYR 46 HD2 TYR 46 11.110 -6.800 0.262 355 HE1 TYR 46 HE1 TYR 46 11.145 -8.701 4.795 356 HE2 TYR 46 HE2 TYR 46 10.831 -9.222 0.573 357 HH TYR 46 HH TYR 46 11.383 -10.939 2.256 358 H LYS 47 HN LYS 47 13.028 -2.013 3.281 359 HA LYS 47 HA LYS 47 13.795 -2.623 5.999 360 HB2 LYS 47 HB2 LYS 47 13.695 -0.193 4.272 361 HB3 LYS 47 HB1 LYS 47 13.743 0.015 6.015 362 HG2 LYS 47 HG2 LYS 47 15.749 -1.552 4.409 363 HG3 LYS 47 HG1 LYS 47 15.972 0.104 4.985 364 HD2 LYS 47 HD2 LYS 47 15.610 -2.385 6.649 365 HD3 LYS 47 HD1 LYS 47 17.061 -1.380 6.520 366 HE2 LYS 47 HE2 LYS 47 15.810 0.518 7.481 367 HE3 LYS 47 HE1 LYS 47 14.398 -0.527 7.654 368 HZ1 LYS 47 HZ1 LYS 47 15.591 -1.891 9.207 369 HZ2 LYS 47 HZ2 LYS 47 15.674 -0.283 9.724 370 HZ3 LYS 47 HZ3 LYS 47 17.012 -1.001 8.982 371 H LEU 48 HN LEU 48 11.030 -1.558 4.249 372 HA LEU 48 HA LEU 48 9.528 -1.456 6.773 373 HB2 LEU 48 HB2 LEU 48 10.169 0.791 5.386 374 HB3 LEU 48 HB1 LEU 48 8.639 0.381 4.640 375 HG LEU 48 HG LEU 48 8.403 2.008 6.484 376 HD11 LEU 48 HD11 LEU 48 7.148 -0.667 7.049 377 HD12 LEU 48 HD12 LEU 48 6.534 0.557 5.938 378 HD13 LEU 48 HD13 LEU 48 6.601 0.889 7.663 379 HD21 LEU 48 HD21 LEU 48 8.775 1.386 8.755 380 HD22 LEU 48 HD22 LEU 48 10.267 1.100 7.857 381 HD23 LEU 48 HD23 LEU 48 9.221 -0.251 8.287 382 H ARG 49 HN ARG 49 7.645 -2.515 6.758 383 HA ARG 49 HA ARG 49 6.543 -3.378 4.161 384 HB2 ARG 49 HB2 ARG 49 7.519 -5.233 5.537 385 HB3 ARG 49 HB1 ARG 49 6.345 -4.858 6.791 386 HG2 ARG 49 HG2 ARG 49 4.574 -5.245 4.982 387 HG3 ARG 49 HG1 ARG 49 5.876 -6.008 4.066 388 HD2 ARG 49 HD2 ARG 49 4.749 -7.737 5.252 389 HD3 ARG 49 HD1 ARG 49 6.292 -7.470 6.067 390 HE ARG 49 HE ARG 49 4.151 -5.930 7.194 391 HH11 ARG 49 HH11 ARG 49 5.686 -9.091 7.222 392 HH12 ARG 49 HH12 ARG 49 5.111 -9.478 8.811 393 HH21 ARG 49 HH21 ARG 49 3.398 -6.463 9.277 394 HH22 ARG 49 HH22 ARG 49 3.829 -7.990 9.980 395 H ILE 50 HN ILE 50 4.555 -2.630 3.766 396 HA ILE 50 HA ILE 50 2.903 -1.808 6.077 397 HB ILE 50 HB ILE 50 2.764 -0.467 3.366 398 HG12 ILE 50 HG12 ILE 50 3.802 1.518 4.560 399 HG13 ILE 50 HG11 ILE 50 4.270 0.409 5.838 400 HG21 ILE 50 HG21 ILE 50 1.692 0.331 6.063 401 HG22 ILE 50 HG22 ILE 50 0.752 -0.391 4.756 402 HG23 ILE 50 HG23 ILE 50 1.468 1.208 4.551 403 HD11 ILE 50 HD11 ILE 50 6.027 1.003 4.144 404 HD12 ILE 50 HD12 ILE 50 5.117 0.027 2.989 405 HD13 ILE 50 HD13 ILE 50 5.775 -0.714 4.454 406 H LEU 51 HN LEU 51 0.956 -2.673 6.169 407 HA LEU 51 HA LEU 51 0.066 -4.293 3.884 408 HB2 LEU 51 HB2 LEU 51 0.200 -4.795 6.768 409 HB3 LEU 51 HB1 LEU 51 -1.342 -5.216 6.053 410 HG LEU 51 HG LEU 51 0.137 -7.148 6.143 411 HD11 LEU 51 HD11 LEU 51 -1.483 -6.945 4.316 412 HD12 LEU 51 HD12 LEU 51 -0.045 -7.842 3.833 413 HD13 LEU 51 HD13 LEU 51 -0.252 -6.167 3.324 414 HD21 LEU 51 HD21 LEU 51 1.965 -5.524 4.381 415 HD22 LEU 51 HD22 LEU 51 2.163 -7.234 4.764 416 HD23 LEU 51 HD23 LEU 51 2.285 -6.025 6.041 417 H ILE 52 HN ILE 52 -1.560 -3.387 2.827 418 HA ILE 52 HA ILE 52 -3.649 -2.026 4.406 419 HB ILE 52 HB ILE 52 -2.927 -1.333 1.552 420 HG12 ILE 52 HG12 ILE 52 -2.221 0.893 2.816 421 HG13 ILE 52 HG11 ILE 52 -1.919 -0.232 4.139 422 HG21 ILE 52 HG21 ILE 52 -5.230 -0.878 2.160 423 HG22 ILE 52 HG22 ILE 52 -4.338 0.631 1.951 424 HG23 ILE 52 HG23 ILE 52 -4.695 0.032 3.573 425 HD11 ILE 52 HD11 ILE 52 -0.379 -1.480 2.750 426 HD12 ILE 52 HD12 ILE 52 0.090 0.218 2.834 427 HD13 ILE 52 HD13 ILE 52 -0.709 -0.408 1.391 428 H GLU 53 HN GLU 53 -5.258 -3.514 4.487 429 HA GLU 53 HA GLU 53 -5.903 -4.906 1.979 430 HB2 GLU 53 HB2 GLU 53 -6.859 -6.681 3.228 431 HB3 GLU 53 HB1 GLU 53 -5.318 -6.311 3.987 432 HG2 GLU 53 HG2 GLU 53 -6.525 -4.988 5.689 433 HG3 GLU 53 HG1 GLU 53 -8.045 -5.486 4.954 434 H ASN 54 HN ASN 54 -8.086 -5.163 1.407 435 HA ASN 54 HA ASN 54 -9.720 -2.853 2.174 436 HB2 ASN 54 HB2 ASN 54 -9.160 -3.499 -0.273 437 HB3 ASN 54 HB1 ASN 54 -10.311 -4.807 -0.030 438 HD21 ASN 54 HD21 ASN 54 -12.057 -3.201 1.683 439 HD22 ASN 54 HD22 ASN 54 -12.889 -2.131 0.616 440 H LYS 55 HN LYS 55 -11.034 -3.283 3.838 441 HA LYS 55 HA LYS 55 -12.710 -5.678 3.645 442 HB2 LYS 55 HB2 LYS 55 -12.501 -5.738 6.220 443 HB3 LYS 55 HB1 LYS 55 -11.188 -6.398 5.255 444 HG2 LYS 55 HG2 LYS 55 -9.915 -4.335 5.550 445 HG3 LYS 55 HG1 LYS 55 -11.236 -3.649 6.499 446 HD2 LYS 55 HD2 LYS 55 -9.802 -6.194 7.236 447 HD3 LYS 55 HD1 LYS 55 -9.334 -4.602 7.840 448 HE2 LYS 55 HE2 LYS 55 -12.140 -5.599 8.111 449 HE3 LYS 55 HE1 LYS 55 -10.900 -6.063 9.276 450 HZ1 LYS 55 HZ1 LYS 55 -10.507 -3.712 9.721 451 HZ2 LYS 55 HZ2 LYS 55 -12.118 -4.135 10.030 452 HZ3 LYS 55 HZ3 LYS 55 -11.731 -3.278 8.622 453 H ALA 56 HN ALA 56 -14.416 -4.385 2.932 454 HA ALA 56 HA ALA 56 -15.708 -2.923 5.120 455 HB1 ALA 56 HB1 ALA 56 -16.515 -1.209 3.510 456 HB2 ALA 56 HB2 ALA 56 -15.430 -1.895 2.299 457 HB3 ALA 56 HB3 ALA 56 -14.773 -1.176 3.770 458 HA PRO 57 HA PRO 57 -19.359 -5.201 4.028 459 HB2 PRO 57 HB2 PRO 57 -21.268 -3.217 4.166 460 HB3 PRO 57 HB1 PRO 57 -20.646 -4.109 5.557 461 HG2 PRO 57 HG2 PRO 57 -19.873 -1.410 4.538 462 HG3 PRO 57 HG1 PRO 57 -20.086 -1.958 6.212 463 HD2 PRO 57 HD2 PRO 57 -17.647 -1.671 5.137 464 HD3 PRO 57 HD1 PRO 57 -18.010 -2.994 6.258 465 H ASN 58 HN ASN 58 -18.893 -2.063 2.503 466 HA ASN 58 HA ASN 58 -19.915 -3.194 -0.012 467 HB2 ASN 58 HB2 ASN 58 -20.606 -0.467 1.106 468 HB3 ASN 58 HB1 ASN 58 -21.049 -1.046 -0.497 469 HD21 ASN 58 HD21 ASN 58 -21.542 -1.459 2.934 470 HD22 ASN 58 HD22 ASN 58 -23.038 -2.315 2.817 471 H SER 59 HN SER 59 -17.573 -3.446 -0.277 472 HA SER 59 HA SER 59 -16.031 -1.016 -0.640 473 HB2 SER 59 HB2 SER 59 -15.218 -3.894 -1.091 474 HB3 SER 59 HB1 SER 59 -14.139 -2.505 -0.997 475 HG SER 59 HG SER 59 -15.139 -4.012 0.985 476 H LYS 60 HN LYS 60 -15.968 0.030 -2.476 477 HA LYS 60 HA LYS 60 -16.036 -1.507 -4.976 478 HB2 LYS 60 HB2 LYS 60 -17.501 1.027 -4.295 479 HB3 LYS 60 HB1 LYS 60 -17.145 0.599 -5.962 480 HG2 LYS 60 HG2 LYS 60 -18.397 -1.486 -5.689 481 HG3 LYS 60 HG1 LYS 60 -18.756 -1.047 -4.018 482 HD2 LYS 60 HD2 LYS 60 -20.642 -0.547 -5.482 483 HD3 LYS 60 HD1 LYS 60 -19.969 0.930 -4.799 484 HE2 LYS 60 HE2 LYS 60 -20.490 1.234 -7.154 485 HE3 LYS 60 HE1 LYS 60 -18.752 1.338 -6.887 486 HZ1 LYS 60 HZ1 LYS 60 -20.161 -1.090 -7.848 487 HZ2 LYS 60 HZ2 LYS 60 -18.488 -0.882 -7.715 488 HZ3 LYS 60 HZ3 LYS 60 -19.363 0.012 -8.848 489 HA PRO 61 HA PRO 61 -12.272 1.174 -4.986 490 HB2 PRO 61 HB2 PRO 61 -10.492 -0.789 -5.461 491 HB3 PRO 61 HB1 PRO 61 -11.005 -0.350 -3.831 492 HG2 PRO 61 HG2 PRO 61 -11.876 -2.634 -5.545 493 HG3 PRO 61 HG1 PRO 61 -11.560 -2.603 -3.802 494 HD2 PRO 61 HD2 PRO 61 -14.064 -2.494 -4.919 495 HD3 PRO 61 HD1 PRO 61 -13.660 -1.845 -3.319 496 H ASP 62 HN ASP 62 -11.532 1.991 -6.821 497 HA ASP 62 HA ASP 62 -12.527 0.825 -9.307 498 HB2 ASP 62 HB2 ASP 62 -13.052 3.166 -8.945 499 HB3 ASP 62 HB1 ASP 62 -11.347 3.544 -8.723 500 H ARG 63 HN ARG 63 -9.513 2.418 -8.282 501 HA ARG 63 HA ARG 63 -7.919 0.330 -9.446 502 HB2 ARG 63 HB2 ARG 63 -6.797 1.742 -11.094 503 HB3 ARG 63 HB1 ARG 63 -8.515 1.619 -11.449 504 HG2 ARG 63 HG2 ARG 63 -8.713 3.829 -10.136 505 HG3 ARG 63 HG1 ARG 63 -6.971 3.949 -10.396 506 HD2 ARG 63 HD2 ARG 63 -9.027 3.573 -12.562 507 HD3 ARG 63 HD1 ARG 63 -8.290 5.115 -12.127 508 HE ARG 63 HE ARG 63 -6.190 3.421 -12.667 509 HH11 ARG 63 HH11 ARG 63 -8.988 4.589 -14.414 510 HH12 ARG 63 HH12 ARG 63 -8.204 4.537 -15.961 511 HH21 ARG 63 HH21 ARG 63 -5.157 3.337 -14.707 512 HH22 ARG 63 HH22 ARG 63 -6.024 3.824 -16.129 513 H PHE 64 HN PHE 64 -5.531 1.050 -9.355 514 HA PHE 64 HA PHE 64 -5.137 2.743 -6.988 515 HB2 PHE 64 HB2 PHE 64 -3.889 0.074 -7.625 516 HB3 PHE 64 HB1 PHE 64 -3.184 1.188 -6.458 517 HD1 PHE 64 HD2 PHE 64 -4.520 1.855 -4.465 518 HD2 PHE 64 HD1 PHE 64 -5.689 -1.320 -7.038 519 HE1 PHE 64 HE2 PHE 64 -5.993 0.977 -2.700 520 HE2 PHE 64 HE1 PHE 64 -7.171 -2.203 -5.283 521 HZ PHE 64 HZ PHE 64 -7.324 -1.055 -3.111 522 H SER 65 HN SER 65 -3.740 4.327 -7.242 523 HA SER 65 HA SER 65 -1.581 4.010 -9.198 524 HB2 SER 65 HB2 SER 65 -3.131 6.585 -8.838 525 HB3 SER 65 HB1 SER 65 -1.896 6.238 -10.049 526 HG SER 65 HG SER 65 -4.416 4.941 -9.832 527 HA PRO 66 HA PRO 66 -0.067 5.395 -5.083 528 HB2 PRO 66 HB2 PRO 66 1.919 3.584 -4.850 529 HB3 PRO 66 HB1 PRO 66 0.250 3.225 -4.398 530 HG2 PRO 66 HG2 PRO 66 1.755 2.457 -6.851 531 HG3 PRO 66 HG1 PRO 66 0.569 1.530 -5.921 532 HD2 PRO 66 HD2 PRO 66 0.021 2.854 -8.271 533 HD3 PRO 66 HD1 PRO 66 -1.194 2.433 -7.047 534 H SER 67 HN SER 67 1.728 6.611 -4.627 535 HA SER 67 HA SER 67 3.929 6.751 -6.486 536 HB2 SER 67 HB2 SER 67 2.242 9.228 -6.076 537 HB3 SER 67 HB1 SER 67 3.660 9.058 -7.108 538 HG SER 67 HG SER 67 1.867 7.192 -7.780 539 H TYR 68 HN TYR 68 5.737 7.665 -5.600 540 HA TYR 68 HA TYR 68 5.527 8.267 -2.735 541 HB2 TYR 68 HB2 TYR 68 6.913 6.338 -3.122 542 HB3 TYR 68 HB1 TYR 68 7.823 7.179 -4.371 543 HD1 TYR 68 HD1 TYR 68 6.908 7.743 -0.781 544 HD2 TYR 68 HD2 TYR 68 9.932 7.847 -3.773 545 HE1 TYR 68 HE1 TYR 68 8.539 8.486 0.901 546 HE2 TYR 68 HE2 TYR 68 11.568 8.586 -2.096 547 HH TYR 68 HH TYR 68 10.969 8.478 1.249 548 H ASN 69 HN ASN 69 5.546 10.349 -2.349 549 HA ASN 69 HA ASN 69 7.136 12.096 -4.063 550 HB2 ASN 69 HB2 ASN 69 6.029 13.904 -2.546 551 HB3 ASN 69 HB1 ASN 69 5.080 13.118 -3.801 552 HD21 ASN 69 HD21 ASN 69 5.484 13.655 -0.466 553 HD22 ASN 69 HD22 ASN 69 4.083 12.805 0.076 554 H PHE 70 HN PHE 70 9.167 12.203 -3.554 555 HA PHE 70 HA PHE 70 10.369 11.479 -1.143 556 HB2 PHE 70 HB2 PHE 70 11.354 13.314 -3.340 557 HB3 PHE 70 HB1 PHE 70 12.359 12.749 -2.018 558 HD1 PHE 70 HD2 PHE 70 10.465 11.682 -4.999 559 HD2 PHE 70 HD1 PHE 70 13.361 10.622 -2.069 560 HE1 PHE 70 HE2 PHE 70 11.071 9.698 -6.317 561 HE2 PHE 70 HE1 PHE 70 13.972 8.637 -3.385 562 HZ PHE 70 HZ PHE 70 12.826 8.173 -5.512 563 H ALA 71 HN ALA 71 9.112 14.487 -2.301 564 HA ALA 71 HA ALA 71 10.331 16.367 -0.718 565 HB1 ALA 71 HB1 ALA 71 7.435 16.355 -1.537 566 HB2 ALA 71 HB2 ALA 71 8.778 16.811 -2.582 567 HB3 ALA 71 HB3 ALA 71 8.417 17.766 -1.143 568 H GLU 72 HN GLU 72 7.469 14.423 0.069 569 HA GLU 72 HA GLU 72 7.707 15.363 2.853 570 HB2 GLU 72 HB2 GLU 72 5.276 13.962 1.832 571 HB3 GLU 72 HB1 GLU 72 5.420 15.117 3.144 572 HG2 GLU 72 HG2 GLU 72 5.850 16.895 1.452 573 HG3 GLU 72 HG1 GLU 72 5.483 15.707 0.200 574 H ASN 73 HN ASN 73 8.685 13.008 1.001 575 HA ASN 73 HA ASN 73 9.122 10.803 1.052 576 HB2 ASN 73 HB2 ASN 73 10.038 9.925 3.161 577 HB3 ASN 73 HB1 ASN 73 10.674 11.516 2.773 578 HD21 ASN 73 HD21 ASN 73 8.529 9.719 4.837 579 HD22 ASN 73 HD22 ASN 73 8.383 10.926 6.068 580 H ILE 74 HN ILE 74 6.462 11.203 0.832 581 HA ILE 74 HA ILE 74 5.313 9.114 2.563 582 HB ILE 74 HB ILE 74 4.022 11.599 1.445 583 HG12 ILE 74 HG12 ILE 74 4.099 10.641 4.294 584 HG13 ILE 74 HG11 ILE 74 5.428 11.558 3.604 585 HG21 ILE 74 HG21 ILE 74 2.447 9.774 1.158 586 HG22 ILE 74 HG22 ILE 74 1.926 10.818 2.481 587 HG23 ILE 74 HG23 ILE 74 2.693 9.270 2.832 588 HD11 ILE 74 HD11 ILE 74 2.581 12.474 3.869 589 HD12 ILE 74 HD12 ILE 74 3.896 13.393 3.132 590 HD13 ILE 74 HD13 ILE 74 3.958 12.988 4.846 591 H LEU 75 HN LEU 75 4.303 7.457 1.642 592 HA LEU 75 HA LEU 75 4.204 7.350 -1.290 593 HB2 LEU 75 HB2 LEU 75 5.582 5.653 -0.129 594 HB3 LEU 75 HB1 LEU 75 4.183 5.138 0.783 595 HG LEU 75 HG LEU 75 4.956 3.696 -1.193 596 HD11 LEU 75 HD11 LEU 75 2.088 4.573 -0.948 597 HD12 LEU 75 HD12 LEU 75 2.884 3.260 -0.077 598 HD13 LEU 75 HD13 LEU 75 2.633 3.138 -1.819 599 HD21 LEU 75 HD21 LEU 75 3.530 5.870 -2.715 600 HD22 LEU 75 HD22 LEU 75 4.031 4.312 -3.370 601 HD23 LEU 75 HD23 LEU 75 5.242 5.469 -2.822 602 H TYR 76 HN TYR 76 2.227 8.091 -1.899 603 HA TYR 76 HA TYR 76 -0.077 7.428 -0.248 604 HB2 TYR 76 HB2 TYR 76 -1.068 9.281 -1.073 605 HB3 TYR 76 HB1 TYR 76 0.549 9.706 -1.609 606 HD1 TYR 76 HD2 TYR 76 1.148 9.570 -3.968 607 HD2 TYR 76 HD1 TYR 76 -2.763 8.555 -2.639 608 HE1 TYR 76 HE2 TYR 76 0.326 9.704 -6.287 609 HE2 TYR 76 HE1 TYR 76 -3.593 8.691 -4.947 610 HH TYR 76 HH TYR 76 -1.562 8.771 -7.628 611 H ILE 77 HN ILE 77 -1.782 6.182 -0.906 612 HA ILE 77 HA ILE 77 -1.127 4.293 -3.047 613 HB ILE 77 HB ILE 77 -3.151 4.137 -0.809 614 HG12 ILE 77 HG12 ILE 77 -0.807 3.890 -0.087 615 HG13 ILE 77 HG11 ILE 77 -1.711 2.392 0.104 616 HG21 ILE 77 HG21 ILE 77 -3.973 2.990 -2.789 617 HG22 ILE 77 HG22 ILE 77 -3.550 1.836 -1.522 618 HG23 ILE 77 HG23 ILE 77 -2.469 2.073 -2.896 619 HD11 ILE 77 HD11 ILE 77 0.493 1.937 -0.748 620 HD12 ILE 77 HD12 ILE 77 0.233 3.041 -2.098 621 HD13 ILE 77 HD13 ILE 77 -0.712 1.556 -1.979 622 H ASN 78 HN ASN 78 -3.739 6.362 -1.886 623 HA ASN 78 HA ASN 78 -4.941 6.476 -4.510 624 HB2 ASN 78 HB2 ASN 78 -5.707 4.329 -3.157 625 HB3 ASN 78 HB1 ASN 78 -6.714 5.487 -2.299 626 HD21 ASN 78 HD21 ASN 78 -6.141 3.822 -5.244 627 HD22 ASN 78 HD22 ASN 78 -7.616 4.253 -6.028 628 H GLY 79 HN GLY 79 -7.082 7.819 -4.259 629 HA2 GLY 79 HA2 GLY 79 -6.548 10.146 -2.674 630 HA3 GLY 79 HA1 GLY 79 -8.001 9.838 -3.618 631 H LYS 80 HN LYS 80 -7.488 7.208 -1.748 632 HA LYS 80 HA LYS 80 -9.552 7.966 0.147 633 HB2 LYS 80 HB2 LYS 80 -8.157 5.296 -0.047 634 HB3 LYS 80 HB1 LYS 80 -9.736 5.643 0.641 635 HG2 LYS 80 HG2 LYS 80 -9.042 5.832 -2.280 636 HG3 LYS 80 HG1 LYS 80 -9.855 4.467 -1.514 637 HD2 LYS 80 HD2 LYS 80 -11.668 6.022 -0.810 638 HD3 LYS 80 HD1 LYS 80 -10.876 7.297 -1.735 639 HE2 LYS 80 HE2 LYS 80 -11.876 4.686 -2.869 640 HE3 LYS 80 HE1 LYS 80 -12.727 6.225 -2.967 641 HZ1 LYS 80 HZ1 LYS 80 -11.522 5.758 -5.001 642 HZ2 LYS 80 HZ2 LYS 80 -10.062 5.642 -4.153 643 HZ3 LYS 80 HZ3 LYS 80 -10.876 7.121 -4.239 644 H LEU 81 HN LEU 81 -6.193 6.870 0.048 645 HA LEU 81 HA LEU 81 -5.655 8.076 2.576 646 HB2 LEU 81 HB2 LEU 81 -4.710 5.876 3.506 647 HB3 LEU 81 HB1 LEU 81 -6.428 6.186 3.624 648 HG LEU 81 HG LEU 81 -6.816 4.703 1.688 649 HD11 LEU 81 HD11 LEU 81 -3.892 4.013 1.913 650 HD12 LEU 81 HD12 LEU 81 -4.595 4.996 0.630 651 HD13 LEU 81 HD13 LEU 81 -5.075 3.306 0.807 652 HD21 LEU 81 HD21 LEU 81 -7.038 3.784 3.873 653 HD22 LEU 81 HD22 LEU 81 -5.294 3.571 4.018 654 HD23 LEU 81 HD23 LEU 81 -6.207 2.600 2.864 655 H SER 82 HN SER 82 -3.475 8.192 3.135 656 HA SER 82 HA SER 82 -1.593 7.375 1.035 657 HB2 SER 82 HB2 SER 82 -0.289 9.462 1.698 658 HB3 SER 82 HB1 SER 82 -1.804 9.742 0.837 659 HG SER 82 HG SER 82 -2.734 10.464 2.645 660 H ILE 83 HN ILE 83 0.472 6.677 1.756 661 HA ILE 83 HA ILE 83 0.479 5.902 4.594 662 HB ILE 83 HB ILE 83 1.960 4.632 2.285 663 HG12 ILE 83 HG12 ILE 83 -0.439 4.242 2.095 664 HG13 ILE 83 HG11 ILE 83 0.372 2.758 2.580 665 HG21 ILE 83 HG21 ILE 83 3.127 4.395 4.416 666 HG22 ILE 83 HG22 ILE 83 2.486 2.849 3.860 667 HG23 ILE 83 HG23 ILE 83 1.665 3.731 5.147 668 HD11 ILE 83 HD11 ILE 83 -0.325 3.162 4.898 669 HD12 ILE 83 HD12 ILE 83 -1.694 3.032 3.795 670 HD13 ILE 83 HD13 ILE 83 -1.175 4.615 4.374 671 HA PRO 84 HA PRO 84 3.944 8.820 4.568 672 HB2 PRO 84 HB2 PRO 84 3.898 9.353 7.210 673 HB3 PRO 84 HB1 PRO 84 2.790 10.114 6.066 674 HG2 PRO 84 HG2 PRO 84 2.317 7.844 7.941 675 HG3 PRO 84 HG1 PRO 84 1.237 9.180 7.508 676 HD2 PRO 84 HD2 PRO 84 1.064 6.643 6.464 677 HD3 PRO 84 HD1 PRO 84 0.464 8.099 5.647 678 H LEU 85 HN LEU 85 5.958 8.200 4.622 679 HA LEU 85 HA LEU 85 6.619 5.695 5.961 680 HB2 LEU 85 HB2 LEU 85 8.199 7.330 3.976 681 HB3 LEU 85 HB1 LEU 85 8.613 5.723 4.544 682 HG LEU 85 HG LEU 85 6.167 6.425 2.918 683 HD11 LEU 85 HD11 LEU 85 7.263 5.230 1.119 684 HD12 LEU 85 HD12 LEU 85 8.667 4.941 2.144 685 HD13 LEU 85 HD13 LEU 85 8.257 6.585 1.653 686 HD21 LEU 85 HD21 LEU 85 7.214 3.762 3.868 687 HD22 LEU 85 HD22 LEU 85 5.873 3.992 2.746 688 HD23 LEU 85 HD23 LEU 85 5.737 4.559 4.409 689 HA PRO 86 HA PRO 86 9.080 7.591 9.122 690 HB2 PRO 86 HB2 PRO 86 11.086 5.767 9.380 691 HB3 PRO 86 HB1 PRO 86 9.459 5.513 10.016 692 HG2 PRO 86 HG2 PRO 86 10.689 4.494 7.491 693 HG3 PRO 86 HG1 PRO 86 9.646 3.647 8.648 694 HD2 PRO 86 HD2 PRO 86 8.716 4.635 6.313 695 HD3 PRO 86 HD1 PRO 86 7.721 4.578 7.783 696 H ARG 87 HN ARG 87 10.714 9.026 9.246 697 HA ARG 87 HA ARG 87 12.103 9.623 6.785 698 HB2 ARG 87 HB2 ARG 87 12.004 11.028 9.454 699 HB3 ARG 87 HB1 ARG 87 13.008 11.579 8.123 700 HG2 ARG 87 HG2 ARG 87 11.064 12.891 8.057 701 HG3 ARG 87 HG1 ARG 87 10.899 11.723 6.748 702 HD2 ARG 87 HD2 ARG 87 9.470 10.336 8.192 703 HD3 ARG 87 HD1 ARG 87 9.611 11.543 9.470 704 HE ARG 87 HE ARG 87 8.669 12.836 7.182 705 HH11 ARG 87 HH11 ARG 87 7.606 10.403 9.465 706 HH12 ARG 87 HH12 ARG 87 5.920 10.766 9.266 707 HH21 ARG 87 HH21 ARG 87 6.445 13.313 6.916 708 HH22 ARG 87 HH22 ARG 87 5.259 12.416 7.811 709 H ASP 88 HN ASP 88 12.704 7.540 9.217 710 HA ASP 88 HA ASP 88 15.563 8.009 9.471 711 HB2 ASP 88 HB2 ASP 88 14.311 7.232 11.422 712 HB3 ASP 88 HB1 ASP 88 13.780 5.806 10.539 713 H ILE 89 HN ILE 89 13.549 6.570 7.255 714 HA ILE 89 HA ILE 89 15.539 4.544 6.495 715 HB ILE 89 HB ILE 89 12.556 4.596 6.020 716 HG12 ILE 89 HG12 ILE 89 14.354 2.795 7.665 717 HG13 ILE 89 HG11 ILE 89 13.207 3.975 8.290 718 HG21 ILE 89 HG21 ILE 89 12.828 2.415 4.948 719 HG22 ILE 89 HG22 ILE 89 14.578 2.535 5.128 720 HG23 ILE 89 HG23 ILE 89 13.722 3.660 4.075 721 HD11 ILE 89 HD11 ILE 89 12.349 1.718 8.472 722 HD12 ILE 89 HD12 ILE 89 12.517 1.500 6.731 723 HD13 ILE 89 HD13 ILE 89 11.370 2.679 7.365 724 H VAL 90 HN VAL 90 16.355 4.530 4.494 725 HA VAL 90 HA VAL 90 15.879 6.837 2.803 726 HB VAL 90 HB VAL 90 17.729 4.478 2.377 727 HG11 VAL 90 HG11 VAL 90 17.601 7.142 0.966 728 HG12 VAL 90 HG12 VAL 90 17.137 5.583 0.285 729 HG13 VAL 90 HG13 VAL 90 18.822 5.896 0.708 730 HG21 VAL 90 HG21 VAL 90 19.510 5.986 3.095 731 HG22 VAL 90 HG22 VAL 90 18.309 5.777 4.369 732 HG23 VAL 90 HG23 VAL 90 18.324 7.253 3.404 733 H VAL 91 HN VAL 91 14.236 6.836 1.424 734 HA VAL 91 HA VAL 91 13.390 4.259 0.271 735 HB VAL 91 HB VAL 91 11.652 6.609 1.044 736 HG11 VAL 91 HG11 VAL 91 9.768 5.167 0.377 737 HG12 VAL 91 HG12 VAL 91 10.919 3.993 -0.259 738 HG13 VAL 91 HG13 VAL 91 10.810 5.598 -0.978 739 HG21 VAL 91 HG21 VAL 91 11.810 3.812 2.166 740 HG22 VAL 91 HG22 VAL 91 10.663 5.058 2.657 741 HG23 VAL 91 HG23 VAL 91 12.386 5.279 2.954 742 H ASN 92 HN ASN 92 13.290 4.089 -1.800 743 HA ASN 92 HA ASN 92 12.923 6.421 -3.519 744 HB2 ASN 92 HB2 ASN 92 14.696 4.977 -5.002 745 HB3 ASN 92 HB1 ASN 92 15.143 6.373 -4.022 746 HD21 ASN 92 HD21 ASN 92 14.816 2.874 -3.943 747 HD22 ASN 92 HD22 ASN 92 16.094 2.586 -2.812 748 H ALA 93 HN ALA 93 12.298 5.763 -5.722 749 HA ALA 93 HA ALA 93 10.228 3.841 -5.651 750 HB1 ALA 93 HB1 ALA 93 11.507 5.199 -8.018 751 HB2 ALA 93 HB2 ALA 93 10.133 5.797 -7.088 752 HB3 ALA 93 HB3 ALA 93 9.979 4.322 -8.040 753 H ALA 94 HN ALA 94 13.542 3.539 -6.213 754 HA ALA 94 HA ALA 94 13.469 1.189 -7.843 755 HB1 ALA 94 HB1 ALA 94 15.394 2.696 -7.858 756 HB2 ALA 94 HB2 ALA 94 15.865 1.061 -7.397 757 HB3 ALA 94 HB3 ALA 94 15.710 2.314 -6.166 758 H ASP 95 HN ASP 95 13.276 1.856 -4.441 759 HA ASP 95 HA ASP 95 13.822 -0.923 -3.737 760 HB2 ASP 95 HB2 ASP 95 13.932 1.676 -2.348 761 HB3 ASP 95 HB1 ASP 95 13.310 0.349 -1.393 762 H ILE 96 HN ILE 96 11.293 1.398 -4.059 763 HA ILE 96 HA ILE 96 9.417 0.228 -2.284 764 HB ILE 96 HB ILE 96 9.048 2.103 -4.616 765 HG12 ILE 96 HG12 ILE 96 8.936 2.683 -1.660 766 HG13 ILE 96 HG11 ILE 96 10.412 2.831 -2.610 767 HG21 ILE 96 HG21 ILE 96 6.975 0.863 -4.129 768 HG22 ILE 96 HG22 ILE 96 6.831 2.574 -3.732 769 HG23 ILE 96 HG23 ILE 96 7.070 1.387 -2.449 770 HD11 ILE 96 HD11 ILE 96 9.257 4.967 -2.295 771 HD12 ILE 96 HD12 ILE 96 7.859 4.318 -3.154 772 HD13 ILE 96 HD13 ILE 96 9.400 4.511 -3.990 773 H LYS 97 HN LYS 97 8.580 -1.699 -2.509 774 HA LYS 97 HA LYS 97 7.923 -2.720 -5.191 775 HB2 LYS 97 HB2 LYS 97 8.203 -4.319 -2.646 776 HB3 LYS 97 HB1 LYS 97 8.099 -4.940 -4.282 777 HG2 LYS 97 HG2 LYS 97 10.384 -3.465 -3.014 778 HG3 LYS 97 HG1 LYS 97 10.353 -5.134 -3.580 779 HD2 LYS 97 HD2 LYS 97 10.140 -2.666 -5.312 780 HD3 LYS 97 HD1 LYS 97 11.565 -3.688 -5.141 781 HE2 LYS 97 HE2 LYS 97 8.920 -4.729 -6.130 782 HE3 LYS 97 HE1 LYS 97 10.146 -4.068 -7.210 783 HZ1 LYS 97 HZ1 LYS 97 10.373 -6.460 -5.471 784 HZ2 LYS 97 HZ2 LYS 97 11.688 -5.767 -6.275 785 HZ3 LYS 97 HZ3 LYS 97 10.402 -6.409 -7.161 786 H ILE 98 HN ILE 98 5.839 -2.291 -5.616 787 HA ILE 98 HA ILE 98 3.881 -2.642 -3.444 788 HB ILE 98 HB ILE 98 3.579 -1.016 -5.974 789 HG12 ILE 98 HG12 ILE 98 4.074 -0.136 -3.121 790 HG13 ILE 98 HG11 ILE 98 5.229 -0.039 -4.445 791 HG21 ILE 98 HG21 ILE 98 1.555 -0.148 -4.932 792 HG22 ILE 98 HG22 ILE 98 1.812 -1.196 -3.538 793 HG23 ILE 98 HG23 ILE 98 1.465 -1.898 -5.116 794 HD11 ILE 98 HD11 ILE 98 2.639 1.463 -4.209 795 HD12 ILE 98 HD12 ILE 98 3.714 1.509 -5.604 796 HD13 ILE 98 HD13 ILE 98 4.269 2.119 -4.044 797 H PHE 99 HN PHE 99 2.769 -4.463 -3.565 798 HA PHE 99 HA PHE 99 1.974 -5.461 -6.214 799 HB2 PHE 99 HB2 PHE 99 2.981 -7.075 -3.869 800 HB3 PHE 99 HB1 PHE 99 2.157 -7.780 -5.252 801 HD1 PHE 99 HD1 PHE 99 3.230 -7.842 -7.436 802 HD2 PHE 99 HD2 PHE 99 5.251 -6.319 -4.017 803 HE1 PHE 99 HE1 PHE 99 5.377 -8.044 -8.621 804 HE2 PHE 99 HE2 PHE 99 7.401 -6.517 -5.197 805 HZ PHE 99 HZ PHE 99 7.465 -7.381 -7.499 806 H HIS 100 HN HIS 100 -0.131 -5.485 -6.397 807 HA HIS 100 HA HIS 100 -1.792 -5.501 -3.987 808 HB2 HIS 100 HB2 HIS 100 -2.178 -3.669 -5.578 809 HB3 HIS 100 HB1 HIS 100 -2.512 -4.836 -6.848 810 HD1 HIS 100 HD1 HIS 100 -4.948 -4.638 -7.323 811 HD2 HIS 100 HD2 HIS 100 -4.126 -4.639 -3.234 812 HE1 HIS 100 HE1 HIS 100 -7.186 -4.632 -6.169 813 HE2 HIS 100 HE2 HIS 100 -6.667 -4.699 -3.705 814 H ILE 101 HN ILE 101 -2.352 -7.470 -3.350 815 HA ILE 101 HA ILE 101 -2.902 -9.550 -5.315 816 HB ILE 101 HB ILE 101 -3.005 -9.697 -2.298 817 HG12 ILE 101 HG12 ILE 101 -0.831 -10.592 -4.205 818 HG13 ILE 101 HG11 ILE 101 -0.741 -9.180 -3.157 819 HG21 ILE 101 HG21 ILE 101 -2.925 -11.906 -4.351 820 HG22 ILE 101 HG22 ILE 101 -4.362 -11.386 -3.475 821 HG23 ILE 101 HG23 ILE 101 -3.007 -12.097 -2.598 822 HD11 ILE 101 HD11 ILE 101 0.487 -11.016 -2.200 823 HD12 ILE 101 HD12 ILE 101 -0.943 -12.045 -2.277 824 HD13 ILE 101 HD13 ILE 101 -0.920 -10.648 -1.204 825 H ARG 102 HN ARG 102 -4.840 -9.350 -6.237 826 HA ARG 102 HA ARG 102 -7.058 -8.131 -4.877 827 HB2 ARG 102 HB2 ARG 102 -7.092 -9.630 -7.500 828 HB3 ARG 102 HB1 ARG 102 -8.281 -8.470 -6.925 829 HG2 ARG 102 HG2 ARG 102 -6.498 -6.727 -6.984 830 HG3 ARG 102 HG1 ARG 102 -5.445 -7.914 -7.752 831 HD2 ARG 102 HD2 ARG 102 -8.038 -6.806 -8.811 832 HD3 ARG 102 HD1 ARG 102 -6.419 -6.548 -9.458 833 HE ARG 102 HE ARG 102 -7.495 -9.271 -9.383 834 HH11 ARG 102 HH11 ARG 102 -6.455 -6.483 -11.241 835 HH12 ARG 102 HH12 ARG 102 -6.534 -7.319 -12.758 836 HH21 ARG 102 HH21 ARG 102 -7.597 -10.360 -11.365 837 HH22 ARG 102 HH22 ARG 102 -7.182 -9.529 -12.831 838 H LYS 103 HN LYS 103 -5.911 -11.333 -5.508 839 HA LYS 103 HA LYS 103 -8.210 -12.842 -5.049 840 HB2 LYS 103 HB2 LYS 103 -5.985 -13.658 -5.907 841 HB3 LYS 103 HB1 LYS 103 -5.389 -13.580 -4.258 842 HG2 LYS 103 HG2 LYS 103 -5.971 -15.835 -4.729 843 HG3 LYS 103 HG1 LYS 103 -7.166 -15.190 -3.604 844 HD2 LYS 103 HD2 LYS 103 -8.289 -16.480 -5.307 845 HD3 LYS 103 HD1 LYS 103 -8.683 -14.775 -5.517 846 HE2 LYS 103 HE2 LYS 103 -8.236 -15.759 -7.671 847 HE3 LYS 103 HE1 LYS 103 -6.945 -14.630 -7.272 848 HZ1 LYS 103 HZ1 LYS 103 -5.540 -16.469 -6.638 849 HZ2 LYS 103 HZ2 LYS 103 -6.114 -16.714 -8.211 850 HZ3 LYS 103 HZ3 LYS 103 -6.794 -17.574 -6.927 851 H GLU 104 HN GLU 104 -5.827 -11.537 -2.810 852 HA GLU 104 HA GLU 104 -7.306 -12.608 -0.525 853 HB2 GLU 104 HB2 GLU 104 -4.783 -12.886 -0.791 854 HB3 GLU 104 HB1 GLU 104 -4.653 -11.160 -0.495 855 HG2 GLU 104 HG2 GLU 104 -4.201 -12.312 1.538 856 HG3 GLU 104 HG1 GLU 104 -5.760 -11.506 1.697 857 H ARG 105 HN ARG 105 -7.365 -9.965 -2.405 858 HA ARG 105 HA ARG 105 -8.109 -7.824 -2.250 859 HB2 ARG 105 HB2 ARG 105 -9.219 -8.626 0.444 860 HB3 ARG 105 HB1 ARG 105 -9.771 -7.310 -0.581 861 HG2 ARG 105 HG2 ARG 105 -9.964 -10.233 -1.267 862 HG3 ARG 105 HG1 ARG 105 -11.272 -9.251 -0.609 863 HD2 ARG 105 HD2 ARG 105 -11.201 -7.817 -2.578 864 HD3 ARG 105 HD1 ARG 105 -9.861 -8.764 -3.228 865 HE ARG 105 HE ARG 105 -12.104 -10.409 -2.655 866 HH11 ARG 105 HH11 ARG 105 -10.896 -8.110 -4.995 867 HH12 ARG 105 HH12 ARG 105 -11.812 -8.771 -6.309 868 HH21 ARG 105 HH21 ARG 105 -13.315 -11.284 -4.379 869 HH22 ARG 105 HH22 ARG 105 -13.190 -10.576 -5.960 870 H THR 106 HN THR 106 -5.440 -8.400 -1.271 871 HA THR 106 HA THR 106 -5.215 -6.372 0.849 872 HB THR 106 HB THR 106 -3.604 -8.929 0.727 873 HG1 THR 106 HG1 THR 106 -5.975 -8.996 1.359 874 HG21 THR 106 HG21 THR 106 -3.790 -6.755 2.815 875 HG22 THR 106 HG22 THR 106 -2.403 -7.098 1.782 876 HG23 THR 106 HG23 THR 106 -2.906 -8.270 3.000 877 H LEU 107 HN LEU 107 -3.558 -4.953 0.671 878 HA LEU 107 HA LEU 107 -1.851 -5.218 -1.713 879 HB2 LEU 107 HB2 LEU 107 -3.281 -3.272 -1.802 880 HB3 LEU 107 HB1 LEU 107 -2.776 -2.775 -0.201 881 HG LEU 107 HG LEU 107 -0.525 -2.298 -1.039 882 HD11 LEU 107 HD11 LEU 107 -0.071 -2.343 -3.443 883 HD12 LEU 107 HD12 LEU 107 -1.640 -3.097 -3.718 884 HD13 LEU 107 HD13 LEU 107 -0.397 -3.955 -2.808 885 HD21 LEU 107 HD21 LEU 107 -2.724 -1.033 -2.662 886 HD22 LEU 107 HD22 LEU 107 -1.097 -0.385 -2.459 887 HD23 LEU 107 HD23 LEU 107 -2.173 -0.519 -1.066 888 H TYR 108 HN TYR 108 0.191 -5.709 -1.351 889 HA TYR 108 HA TYR 108 1.328 -5.225 1.306 890 HB2 TYR 108 HB2 TYR 108 2.216 -7.049 -0.934 891 HB3 TYR 108 HB1 TYR 108 3.080 -6.846 0.588 892 HD1 TYR 108 HD1 TYR 108 -0.250 -7.804 -0.763 893 HD2 TYR 108 HD2 TYR 108 2.567 -8.217 2.391 894 HE1 TYR 108 HE1 TYR 108 -1.658 -9.521 0.257 895 HE2 TYR 108 HE2 TYR 108 1.163 -9.948 3.425 896 HH TYR 108 HH TYR 108 -1.339 -10.549 3.390 897 H ILE 109 HN ILE 109 2.764 -3.700 1.618 898 HA ILE 109 HA ILE 109 4.242 -2.614 -0.691 899 HB ILE 109 HB ILE 109 3.752 -1.248 1.957 900 HG12 ILE 109 HG12 ILE 109 1.617 -1.581 0.782 901 HG13 ILE 109 HG11 ILE 109 2.068 0.119 0.819 902 HG21 ILE 109 HG21 ILE 109 5.727 -0.476 0.762 903 HG22 ILE 109 HG22 ILE 109 4.478 0.768 0.789 904 HG23 ILE 109 HG23 ILE 109 4.750 -0.174 -0.676 905 HD11 ILE 109 HD11 ILE 109 2.430 -1.735 -1.521 906 HD12 ILE 109 HD12 ILE 109 2.826 -0.016 -1.478 907 HD13 ILE 109 HD13 ILE 109 1.147 -0.537 -1.337 908 H TYR 110 HN TYR 110 6.336 -3.164 -0.729 909 HA TYR 110 HA TYR 110 7.731 -3.554 1.844 910 HB2 TYR 110 HB2 TYR 110 8.295 -4.961 -0.778 911 HB3 TYR 110 HB1 TYR 110 9.210 -5.162 0.709 912 HD1 TYR 110 HD1 TYR 110 6.067 -5.918 -1.016 913 HD2 TYR 110 HD2 TYR 110 8.356 -6.515 2.518 914 HE1 TYR 110 HE1 TYR 110 4.588 -7.771 -0.378 915 HE2 TYR 110 HE2 TYR 110 6.879 -8.370 3.168 916 HH TYR 110 HH TYR 110 4.792 -9.303 2.749 917 H ILE 111 HN ILE 111 9.417 -2.208 2.151 918 HA ILE 111 HA ILE 111 10.575 -0.906 -0.220 919 HB ILE 111 HB ILE 111 9.865 0.562 2.327 920 HG12 ILE 111 HG12 ILE 111 8.583 0.720 -0.413 921 HG13 ILE 111 HG11 ILE 111 7.863 -0.042 1.000 922 HG21 ILE 111 HG21 ILE 111 10.513 2.559 1.070 923 HG22 ILE 111 HG22 ILE 111 10.957 1.550 -0.307 924 HG23 ILE 111 HG23 ILE 111 11.855 1.424 1.206 925 HD11 ILE 111 HD11 ILE 111 8.533 2.877 0.714 926 HD12 ILE 111 HD12 ILE 111 7.820 2.118 2.137 927 HD13 ILE 111 HD13 ILE 111 6.926 2.158 0.617
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